 Entering Gaussian System, Link 0=g09
 Initial command:
 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-3175.inp" -scrdir="/scratch/"
 Entering Link 1 = /mnt/data/applications/G09/g09/l1.exe PID=      3176.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 09 program.  It is based on
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  EM64L-G09RevD.01 24-Apr-2013
                14-Nov-2016 
 ******************************************
 %mem=22GB
 %nprocshared=12
 Will use up to   12 processors via shared memory.
 ----------------------------------------------------------------------
 #p opt nosymm freq=noraman scrf=(solvent=n,n-DiMethylFormamide,smd) b9
 7d/gen pseudo=read
 ----------------------------------------------------------------------
 1/14=-1,18=20,19=15,26=3,38=1/1,3;
 2/9=110,12=2,15=1,17=6,18=5,40=1/2;
 3/5=7,11=2,16=1,17=8,25=1,30=1,70=32201,71=1,72=148,74=-42/1,2,3;
 4//1;
 5/5=2,38=5,53=148/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/30=1/1,2,3,16;
 1/14=-1,18=20,19=15,26=3/3(2);
 2/9=110,15=1/2;
 99//99;
 2/9=110,15=1/2;
 3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,70=32205,71=1,72=148,74=-42,82=7/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5,53=148/2;
 7/30=1/1,2,3,16;
 1/14=-1,18=20,19=15,26=3/3(-5);
 2/9=110,15=1/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 Leave Link    1 at Mon Nov 14 00:16:05 2016, MaxMem=  2952790016 cpu:         1.2
 (Enter /mnt/data/applications/G09/g09/l101.exe)
 ---
 opt
 ---
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 Cs                   -1.8907   -0.6537    1.71354 
 C                    -2.21625   0.96064  -1.40687 
 O                    -2.64273  -0.0075   -2.05839 
 N                    -0.95538   1.08723  -0.90843 
 H                    -2.86115   1.82527  -1.14957 
 C                    -0.55974   2.24683  -0.10782 
 H                    -1.42095   2.91708   0.01922 
 H                    -0.21009   1.91196   0.88198 
 H                     0.26094   2.79124  -0.60305 
 C                     0.05679   0.04682  -1.10483 
 H                     0.59856  -0.11448  -0.15989 
 H                    -0.43574  -0.88608  -1.409 
 H                     0.78171   0.351    -1.8781 
 C                    -1.95881  -4.0824    2.65088 
 O                    -2.13547  -3.93284   3.87197 
 N                    -2.86932  -3.79855   1.68039 
 H                    -1.0008   -4.45412   2.2367 
 C                    -4.20233  -3.28456   2.00431 
 H                    -4.46965  -2.50212   1.27672 
 H                    -4.95353  -4.09018   1.95115 
 H                    -4.19308  -2.85814   3.01571 
 C                    -2.56294  -3.97826   0.26138 
 H                    -3.24614  -4.71917  -0.1854 
 H                    -2.68821  -3.02054  -0.27061 
 H                    -1.52518  -4.32144   0.14701 
 C                     1.50797   0.35719   2.61494 
 O                     1.35262   1.37333   3.31327 
 N                     1.13228  -0.9039    2.96171 
 H                     1.96995   0.39996   1.60889 
 C                     1.436    -2.05499   2.11097 
 H                     2.20433  -2.68963   2.58385 
 H                     0.52673  -2.65962   1.96677 
 H                     1.79723  -1.70504   1.13418 
 C                     0.51954  -1.182     4.26291 
 H                     1.28402  -1.48845   4.9973 
 H                     0.01027  -0.27899   4.62207 
 H                    -0.20889  -1.99828   4.14898 
 C                    -4.38416   1.58292   2.73364 
 O                    -4.51164   2.38392   1.79211 
 N                    -3.36577   1.57603   3.63604 
 H                    -5.13678   0.7948    2.93829 
 C                    -2.26032   2.53275   3.55616 
 H                    -2.39469   3.18341   2.68111 
 H                    -2.22408   3.14979   4.46924 
 H                    -1.30605   1.98991   3.46359 
 C                    -3.29236   0.57777   4.7058 
 H                    -3.94483  -0.27002   4.45949 
 H                    -2.25243   0.22842   4.79743 
 H                    -3.60401   1.01687   5.66817 
 
 NAtoms=     49 NQM=       49 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=         133          12          16          14           1          12           1           1           1          12
 AtmWgt= 132.9054290  12.0000000  15.9949146  14.0030740   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           0           2           1           0           1           1           1           0
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=  55.0000000   6.0000000   8.0000000   7.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12          16          14           1          12           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000  15.9949146  14.0030740   1.0078250  12.0000000   1.0078250   1.0078250
 NucSpn=           1           1           1           0           0           2           1           0           1           1
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.4037610   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   8.0000000   7.0000000   1.0000000   6.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1          12           1           1           1          12          16          14           1          12
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  15.9949146  14.0030740   1.0078250  12.0000000
 NucSpn=           1           0           1           1           1           0           0           2           1           0
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.4037610   2.7928460   0.0000000
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   8.0000000   7.0000000   1.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1          12           1           1           1          12          16          14
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  15.9949146  14.0030740
 NucSpn=           1           1           1           0           1           1           1           0           0           2
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.4037610
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   8.0000000   7.0000000

  Atom        41          42          43          44          45          46          47          48          49
 IAtWgt=           1          12           1           1           1          12           1           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           1           1           1           0           1           1           1
 AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Leave Link  101 at Mon Nov 14 00:16:06 2016, MaxMem=  2952790016 cpu:         8.5
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  3.5283         estimate D2E/DX2                !
 ! R2    R(1,4)                  3.2833         estimate D2E/DX2                !
 ! R3    R(1,6)                  3.6745         estimate D2E/DX2                !
 ! R4    R(1,8)                  3.1778         estimate D2E/DX2                !
 ! R5    R(1,10)                 3.4967         estimate D2E/DX2                !
 ! R6    R(1,11)                 3.1618         estimate D2E/DX2                !
 ! R7    R(1,14)                 3.5552         estimate D2E/DX2                !
 ! R8    R(1,16)                 3.2938         estimate D2E/DX2                !
 ! R9    R(1,18)                 3.5142         estimate D2E/DX2                !
 ! R10   R(1,19)                 3.2029         estimate D2E/DX2                !
 ! R11   R(1,22)                 3.6896         estimate D2E/DX2                !
 ! R12   R(1,24)                 3.1898         estimate D2E/DX2                !
 ! R13   R(1,26)                 3.6586         estimate D2E/DX2                !
 ! R14   R(1,28)                 3.2801         estimate D2E/DX2                !
 ! R15   R(1,30)                 3.6316         estimate D2E/DX2                !
 ! R16   R(1,32)                 3.1515         estimate D2E/DX2                !
 ! R17   R(1,34)                 3.5479         estimate D2E/DX2                !
 ! R18   R(1,38)                 3.5015         estimate D2E/DX2                !
 ! R19   R(1,40)                 3.293          estimate D2E/DX2                !
 ! R20   R(1,42)                 3.6994         estimate D2E/DX2                !
 ! R21   R(1,45)                 3.2238         estimate D2E/DX2                !
 ! R22   R(1,46)                 3.5263         estimate D2E/DX2                !
 ! R23   R(1,48)                 3.2279         estimate D2E/DX2                !
 ! R24   R(2,3)                  1.2424         estimate D2E/DX2                !
 ! R25   R(2,4)                  1.3617         estimate D2E/DX2                !
 ! R26   R(2,5)                  1.1089         estimate D2E/DX2                !
 ! R27   R(4,6)                  1.4636         estimate D2E/DX2                !
 ! R28   R(4,10)                 1.4648         estimate D2E/DX2                !
 ! R29   R(6,7)                  1.0987         estimate D2E/DX2                !
 ! R30   R(6,8)                  1.1019         estimate D2E/DX2                !
 ! R31   R(6,9)                  1.1023         estimate D2E/DX2                !
 ! R32   R(10,11)                1.1011         estimate D2E/DX2                !
 ! R33   R(10,12)                1.0979         estimate D2E/DX2                !
 ! R34   R(10,13)                1.1027         estimate D2E/DX2                !
 ! R35   R(14,15)                1.2428         estimate D2E/DX2                !
 ! R36   R(14,16)                1.3607         estimate D2E/DX2                !
 ! R37   R(14,17)                1.1079         estimate D2E/DX2                !
 ! R38   R(16,18)                1.4649         estimate D2E/DX2                !
 ! R39   R(16,22)                1.4628         estimate D2E/DX2                !
 ! R40   R(18,19)                1.1014         estimate D2E/DX2                !
 ! R41   R(18,20)                1.1028         estimate D2E/DX2                !
 ! R42   R(18,21)                1.0977         estimate D2E/DX2                !
 ! R43   R(22,23)                1.1024         estimate D2E/DX2                !
 ! R44   R(22,24)                1.1027         estimate D2E/DX2                !
 ! R45   R(22,25)                1.099          estimate D2E/DX2                !
 ! R46   R(26,27)                1.2427         estimate D2E/DX2                !
 ! R47   R(26,28)                1.3608         estimate D2E/DX2                !
 ! R48   R(26,29)                1.1079         estimate D2E/DX2                !
 ! R49   R(28,30)                1.4632         estimate D2E/DX2                !
 ! R50   R(28,34)                1.4649         estimate D2E/DX2                !
 ! R51   R(30,31)                1.103          estimate D2E/DX2                !
 ! R52   R(30,32)                1.1014         estimate D2E/DX2                !
 ! R53   R(30,33)                1.0987         estimate D2E/DX2                !
 ! R54   R(34,35)                1.1035         estimate D2E/DX2                !
 ! R55   R(34,36)                1.0972         estimate D2E/DX2                !
 ! R56   R(34,37)                1.1            estimate D2E/DX2                !
 ! R57   R(38,39)                1.2427         estimate D2E/DX2                !
 ! R58   R(38,40)                1.3607         estimate D2E/DX2                !
 ! R59   R(38,41)                1.1088         estimate D2E/DX2                !
 ! R60   R(40,42)                1.4642         estimate D2E/DX2                !
 ! R61   R(40,46)                1.465          estimate D2E/DX2                !
 ! R62   R(42,43)                1.0987         estimate D2E/DX2                !
 ! R63   R(42,44)                1.1026         estimate D2E/DX2                !
 ! R64   R(42,45)                1.1018         estimate D2E/DX2                !
 ! R65   R(46,47)                1.0978         estimate D2E/DX2                !
 ! R66   R(46,48)                1.1009         estimate D2E/DX2                !
 ! R67   R(46,49)                1.1028         estimate D2E/DX2                !
 ! A1    A(2,1,6)               39.9936         estimate D2E/DX2                !
 ! A2    A(2,1,8)               56.4938         estimate D2E/DX2                !
 ! A3    A(2,1,10)              41.1399         estimate D2E/DX2                !
 ! A4    A(2,1,11)              58.0347         estimate D2E/DX2                !
 ! A5    A(2,1,14)             132.2735         estimate D2E/DX2                !
 ! A6    A(2,1,16)             113.6118         estimate D2E/DX2                !
 ! A7    A(2,1,18)             110.7942         estimate D2E/DX2                !
 ! A8    A(2,1,19)              93.9647         estimate D2E/DX2                !
 ! A9    A(2,1,22)              92.7156         estimate D2E/DX2                !
 ! A10   A(2,1,24)              76.4856         estimate D2E/DX2                !
 ! A11   A(2,1,26)             100.2061         estimate D2E/DX2                !
 ! A12   A(2,1,28)             117.1597         estimate D2E/DX2                !
 ! A13   A(2,1,30)             110.9684         estimate D2E/DX2                !
 ! A14   A(2,1,32)             115.6622         estimate D2E/DX2                !
 ! A15   A(2,1,34)             140.0224         estimate D2E/DX2                !
 ! A16   A(2,1,38)              84.2429         estimate D2E/DX2                !
 ! A17   A(2,1,40)              99.5081         estimate D2E/DX2                !
 ! A18   A(2,1,42)              92.1312         estimate D2E/DX2                !
 ! A19   A(2,1,45)              96.9862         estimate D2E/DX2                !
 ! A20   A(2,1,46)             123.6415         estimate D2E/DX2                !
 ! A21   A(2,1,48)             135.1989         estimate D2E/DX2                !
 ! A22   A(4,1,8)               38.0282         estimate D2E/DX2                !
 ! A23   A(4,1,11)              38.0133         estimate D2E/DX2                !
 ! A24   A(4,1,14)             136.6665         estimate D2E/DX2                !
 ! A25   A(4,1,16)             125.6519         estimate D2E/DX2                !
 ! A26   A(4,1,18)             130.5725         estimate D2E/DX2                !
 ! A27   A(4,1,19)             115.2436         estimate D2E/DX2                !
 ! A28   A(4,1,22)             102.4372         estimate D2E/DX2                !
 ! A29   A(4,1,24)              88.1619         estimate D2E/DX2                !
 ! A30   A(4,1,26)              77.6207         estimate D2E/DX2                !
 ! A31   A(4,1,28)              94.6911         estimate D2E/DX2                !
 ! A32   A(4,1,30)              91.7785         estimate D2E/DX2                !
 ! A33   A(4,1,32)             100.553          estimate D2E/DX2                !
 ! A34   A(4,1,34)             117.3385         estimate D2E/DX2                !
 ! A35   A(4,1,38)              95.5559         estimate D2E/DX2                !
 ! A36   A(4,1,40)             103.5797         estimate D2E/DX2                !
 ! A37   A(4,1,42)              88.2526         estimate D2E/DX2                !
 ! A38   A(4,1,45)              86.9641         estimate D2E/DX2                !
 ! A39   A(4,1,46)             127.2784         estimate D2E/DX2                !
 ! A40   A(4,1,48)             130.5385         estimate D2E/DX2                !
 ! A41   A(6,1,10)              40.5883         estimate D2E/DX2                !
 ! A42   A(6,1,11)              44.4803         estimate D2E/DX2                !
 ! A43   A(6,1,14)             154.0159         estimate D2E/DX2                !
 ! A44   A(6,1,16)             148.9051         estimate D2E/DX2                !
 ! A45   A(6,1,18)             150.4853         estimate D2E/DX2                !
 ! A46   A(6,1,19)             132.8132         estimate D2E/DX2                !
 ! A47   A(6,1,22)             125.6035         estimate D2E/DX2                !
 ! A48   A(6,1,24)             111.5894         estimate D2E/DX2                !
 ! A49   A(6,1,26)              64.3759         estimate D2E/DX2                !
 ! A50   A(6,1,28)              85.1242         estimate D2E/DX2                !
 ! A51   A(6,1,30)              91.5486         estimate D2E/DX2                !
 ! A52   A(6,1,32)             105.3322         estimate D2E/DX2                !
 ! A53   A(6,1,34)             103.1583         estimate D2E/DX2                !
 ! A54   A(6,1,38)              84.153          estimate D2E/DX2                !
 ! A55   A(6,1,40)              85.2472         estimate D2E/DX2                !
 ! A56   A(6,1,42)              66.6191         estimate D2E/DX2                !
 ! A57   A(6,1,45)              63.6463         estimate D2E/DX2                !
 ! A58   A(6,1,46)             106.7931         estimate D2E/DX2                !
 ! A59   A(6,1,48)             107.3635         estimate D2E/DX2                !
 ! A60   A(8,1,10)              48.1479         estimate D2E/DX2                !
 ! A61   A(8,1,11)              44.838          estimate D2E/DX2                !
 ! A62   A(8,1,14)             149.0669         estimate D2E/DX2                !
 ! A63   A(8,1,16)             157.7226         estimate D2E/DX2                !
 ! A64   A(8,1,19)             148.8798         estimate D2E/DX2                !
 ! A65   A(8,1,22)             136.1244         estimate D2E/DX2                !
 ! A66   A(8,1,24)             124.6473         estimate D2E/DX2                !
 ! A67   A(8,1,26)              49.4669         estimate D2E/DX2                !
 ! A68   A(8,1,28)              70.9591         estimate D2E/DX2                !
 ! A69   A(8,1,30)              81.7041         estimate D2E/DX2                !
 ! A70   A(8,1,32)              97.4259         estimate D2E/DX2                !
 ! A71   A(8,1,34)              87.0753         estimate D2E/DX2                !
 ! A72   A(8,1,38)              86.3951         estimate D2E/DX2                !
 ! A73   A(8,1,40)              80.9665         estimate D2E/DX2                !
 ! A74   A(8,1,42)              59.1864         estimate D2E/DX2                !
 ! A75   A(8,1,45)              51.9816         estimate D2E/DX2                !
 ! A76   A(8,1,46)              98.6447         estimate D2E/DX2                !
 ! A77   A(8,1,48)              95.0847         estimate D2E/DX2                !
 ! A78   A(10,1,14)            114.6071         estimate D2E/DX2                !
 ! A79   A(10,1,16)            110.4047         estimate D2E/DX2                !
 ! A80   A(10,1,18)            125.6644         estimate D2E/DX2                !
 ! A81   A(10,1,19)            117.0104         estimate D2E/DX2                !
 ! A82   A(10,1,22)             87.9805         estimate D2E/DX2                !
 ! A83   A(10,1,24)             77.6746         estimate D2E/DX2                !
 ! A84   A(10,1,26)             68.0279         estimate D2E/DX2                !
 ! A85   A(10,1,28)             78.9709         estimate D2E/DX2                !
 ! A86   A(10,1,30)             69.8374         estimate D2E/DX2                !
 ! A87   A(10,1,32)             76.4115         estimate D2E/DX2                !
 ! A88   A(10,1,34)            103.3346         estimate D2E/DX2                !
 ! A89   A(10,1,38)            120.2298         estimate D2E/DX2                !
 ! A90   A(10,1,40)            125.7611         estimate D2E/DX2                !
 ! A91   A(10,1,42)            106.5323         estimate D2E/DX2                !
 ! A92   A(10,1,45)             99.919          estimate D2E/DX2                !
 ! A93   A(10,1,46)            146.6544         estimate D2E/DX2                !
 ! A94   A(10,1,48)            141.0524         estimate D2E/DX2                !
 ! A95   A(11,1,14)            109.6199         estimate D2E/DX2                !
 ! A96   A(11,1,16)            113.0033         estimate D2E/DX2                !
 ! A97   A(11,1,18)            133.9939         estimate D2E/DX2                !
 ! A98   A(11,1,19)            130.658          estimate D2E/DX2                !
 ! A99   A(11,1,22)             93.6641         estimate D2E/DX2                !
 ! A100  A(11,1,24)             87.4103         estimate D2E/DX2                !
 ! A101  A(11,1,26)             50.7654         estimate D2E/DX2                !
 ! A102  A(11,1,28)             60.8495         estimate D2E/DX2                !
 ! A103  A(11,1,30)             53.8041         estimate D2E/DX2                !
 ! A104  A(11,1,32)             63.4002         estimate D2E/DX2                !
 ! A105  A(11,1,34)             85.1995         estimate D2E/DX2                !
 ! A106  A(11,1,38)            128.633          estimate D2E/DX2                !
 ! A107  A(11,1,40)            125.6701         estimate D2E/DX2                !
 ! A108  A(11,1,42)            103.1142         estimate D2E/DX2                !
 ! A109  A(11,1,45)             92.2363         estimate D2E/DX2                !
 ! A110  A(11,1,46)            139.1276         estimate D2E/DX2                !
 ! A111  A(11,1,48)            127.4238         estimate D2E/DX2                !
 ! A112  A(14,1,18)             40.8503         estimate D2E/DX2                !
 ! A113  A(14,1,19)             57.5849         estimate D2E/DX2                !
 ! A114  A(14,1,22)             39.7608         estimate D2E/DX2                !
 ! A115  A(14,1,24)             56.1931         estimate D2E/DX2                !
 ! A116  A(14,1,26)            102.6685         estimate D2E/DX2                !
 ! A117  A(14,1,28)             81.0114         estimate D2E/DX2                !
 ! A118  A(14,1,30)             67.4531         estimate D2E/DX2                !
 ! A119  A(14,1,32)             51.6583         estimate D2E/DX2                !
 ! A120  A(14,1,34)             71.3343         estimate D2E/DX2                !
 ! A121  A(14,1,38)            121.7077         estimate D2E/DX2                !
 ! A122  A(14,1,40)            119.3749         estimate D2E/DX2                !
 ! A123  A(14,1,42)            134.2243         estimate D2E/DX2                !
 ! A124  A(14,1,45)            130.6319         estimate D2E/DX2                !
 ! A125  A(14,1,46)             96.0537         estimate D2E/DX2                !
 ! A126  A(14,1,48)             90.5454         estimate D2E/DX2                !
 ! A127  A(16,1,19)             37.6622         estimate D2E/DX2                !
 ! A128  A(16,1,24)             37.9077         estimate D2E/DX2                !
 ! A129  A(16,1,26)            122.84           estimate D2E/DX2                !
 ! A130  A(16,1,28)            101.8192         estimate D2E/DX2                !
 ! A131  A(16,1,30)             84.5402         estimate D2E/DX2                !
 ! A132  A(16,1,32)             67.7277         estimate D2E/DX2                !
 ! A133  A(16,1,34)             93.8359         estimate D2E/DX2                !
 ! A134  A(16,1,38)            113.6556         estimate D2E/DX2                !
 ! A135  A(16,1,40)            121.2848         estimate D2E/DX2                !
 ! A136  A(16,1,42)            142.9143         estimate D2E/DX2                !
 ! A137  A(16,1,45)            147.3827         estimate D2E/DX2                !
 ! A138  A(16,1,46)            102.9369         estimate D2E/DX2                !
 ! A139  A(16,1,48)            103.724          estimate D2E/DX2                !
 ! A140  A(18,1,22)             40.3728         estimate D2E/DX2                !
 ! A141  A(18,1,24)             48.0497         estimate D2E/DX2                !
 ! A142  A(18,1,26)            142.8947         estimate D2E/DX2                !
 ! A143  A(18,1,28)            121.1746         estimate D2E/DX2                !
 ! A144  A(18,1,30)            107.7369         estimate D2E/DX2                !
 ! A145  A(18,1,32)             91.2277         estimate D2E/DX2                !
 ! A146  A(18,1,34)            106.0179         estimate D2E/DX2                !
 ! A147  A(18,1,38)             89.1789         estimate D2E/DX2                !
 ! A148  A(18,1,40)             99.4363         estimate D2E/DX2                !
 ! A149  A(18,1,42)            122.5409         estimate D2E/DX2                !
 ! A150  A(18,1,45)            133.4935         estimate D2E/DX2                !
 ! A151  A(18,1,46)             85.9726         estimate D2E/DX2                !
 ! A152  A(18,1,48)             92.9706         estimate D2E/DX2                !
 ! A153  A(19,1,22)             43.9132         estimate D2E/DX2                !
 ! A154  A(19,1,24)             44.4087         estimate D2E/DX2                !
 ! A155  A(19,1,26)            160.2286         estimate D2E/DX2                !
 ! A156  A(19,1,28)            138.5869         estimate D2E/DX2                !
 ! A157  A(19,1,30)            121.9943         estimate D2E/DX2                !
 ! A158  A(19,1,32)            105.1457         estimate D2E/DX2                !
 ! A159  A(19,1,34)            123.9912         estimate D2E/DX2                !
 ! A160  A(19,1,38)             80.5015         estimate D2E/DX2                !
 ! A161  A(19,1,40)             96.2986         estimate D2E/DX2                !
 ! A162  A(19,1,42)            118.9847         estimate D2E/DX2                !
 ! A163  A(19,1,45)            133.8919         estimate D2E/DX2                !
 ! A164  A(19,1,46)             89.8403         estimate D2E/DX2                !
 ! A165  A(19,1,48)            101.407          estimate D2E/DX2                !
 ! A166  A(22,1,26)            121.01           estimate D2E/DX2                !
 ! A167  A(22,1,28)            104.4157         estimate D2E/DX2                !
 ! A168  A(22,1,30)             82.0847         estimate D2E/DX2                !
 ! A169  A(22,1,32)             66.2881         estimate D2E/DX2                !
 ! A170  A(22,1,34)            105.8079         estimate D2E/DX2                !
 ! A171  A(22,1,38)            124.0889         estimate D2E/DX2                !
 ! A172  A(22,1,40)            139.3135         estimate D2E/DX2                !
 ! A173  A(22,1,42)            162.5458         estimate D2E/DX2                !
 ! A174  A(22,1,46)            125.1854         estimate D2E/DX2                !
 ! A175  A(22,1,48)            127.002          estimate D2E/DX2                !
 ! A176  A(24,1,26)            126.1946         estimate D2E/DX2                !
 ! A177  A(24,1,28)            114.2378         estimate D2E/DX2                !
 ! A178  A(24,1,30)             90.6183         estimate D2E/DX2                !
 ! A179  A(24,1,32)             76.6723         estimate D2E/DX2                !
 ! A180  A(24,1,34)            120.4193         estimate D2E/DX2                !
 ! A181  A(24,1,38)            118.4989         estimate D2E/DX2                !
 ! A182  A(24,1,40)            138.902          estimate D2E/DX2                !
 ! A183  A(24,1,42)            157.5138         estimate D2E/DX2                !
 ! A184  A(24,1,46)            133.4383         estimate D2E/DX2                !
 ! A185  A(24,1,48)            140.2673         estimate D2E/DX2                !
 ! A186  A(26,1,30)             39.5284         estimate D2E/DX2                !
 ! A187  A(26,1,32)             56.1853         estimate D2E/DX2                !
 ! A188  A(26,1,34)             39.9175         estimate D2E/DX2                !
 ! A189  A(26,1,38)            114.4091         estimate D2E/DX2                !
 ! A190  A(26,1,40)             94.887          estimate D2E/DX2                !
 ! A191  A(26,1,42)             74.4607         estimate D2E/DX2                !
 ! A192  A(26,1,45)             58.0764         estimate D2E/DX2                !
 ! A193  A(26,1,46)             93.6515         estimate D2E/DX2                !
 ! A194  A(26,1,48)             78.0654         estimate D2E/DX2                !
 ! A195  A(28,1,32)             38.1793         estimate D2E/DX2                !
 ! A196  A(28,1,38)            126.4526         estimate D2E/DX2                !
 ! A197  A(28,1,40)            104.0237         estimate D2E/DX2                !
 ! A198  A(28,1,42)             88.1802         estimate D2E/DX2                !
 ! A199  A(28,1,45)             71.871          estimate D2E/DX2                !
 ! A200  A(28,1,46)             94.0179         estimate D2E/DX2                !
 ! A201  A(28,1,48)             76.1472         estimate D2E/DX2                !
 ! A202  A(30,1,34)             40.6769         estimate D2E/DX2                !
 ! A203  A(30,1,38)            150.1024         estimate D2E/DX2                !
 ! A204  A(30,1,40)            127.425          estimate D2E/DX2                !
 ! A205  A(30,1,42)            111.6772         estimate D2E/DX2                !
 ! A206  A(30,1,45)             95.2142         estimate D2E/DX2                !
 ! A207  A(30,1,46)            113.9541         estimate D2E/DX2                !
 ! A208  A(30,1,48)             95.9435         estimate D2E/DX2                !
 ! A209  A(32,1,34)             47.6527         estimate D2E/DX2                !
 ! A210  A(32,1,38)            158.3432         estimate D2E/DX2                !
 ! A211  A(32,1,40)            136.6929         estimate D2E/DX2                !
 ! A212  A(32,1,42)            125.7937         estimate D2E/DX2                !
 ! A213  A(32,1,45)            109.8289         estimate D2E/DX2                !
 ! A214  A(32,1,46)            117.3227         estimate D2E/DX2                !
 ! A215  A(32,1,48)            100.5524         estimate D2E/DX2                !
 ! A216  A(34,1,38)            111.6873         estimate D2E/DX2                !
 ! A217  A(34,1,40)             89.1763         estimate D2E/DX2                !
 ! A218  A(34,1,42)             80.6902         estimate D2E/DX2                !
 ! A219  A(34,1,45)             66.9732         estimate D2E/DX2                !
 ! A220  A(34,1,46)             73.2793         estimate D2E/DX2                !
 ! A221  A(34,1,48)             55.2722         estimate D2E/DX2                !
 ! A222  A(38,1,42)             39.9631         estimate D2E/DX2                !
 ! A223  A(38,1,45)             56.4405         estimate D2E/DX2                !
 ! A224  A(38,1,46)             41.1193         estimate D2E/DX2                !
 ! A225  A(38,1,48)             57.812          estimate D2E/DX2                !
 ! A226  A(40,1,45)             37.7265         estimate D2E/DX2                !
 ! A227  A(40,1,48)             37.5316         estimate D2E/DX2                !
 ! A228  A(42,1,46)             40.255          estimate D2E/DX2                !
 ! A229  A(42,1,48)             43.7425         estimate D2E/DX2                !
 ! A230  A(45,1,46)             47.552          estimate D2E/DX2                !
 ! A231  A(45,1,48)             43.7472         estimate D2E/DX2                !
 ! A232  A(1,2,3)               97.9846         estimate D2E/DX2                !
 ! A233  A(1,2,5)              101.8413         estimate D2E/DX2                !
 ! A234  A(3,2,4)              125.6073         estimate D2E/DX2                !
 ! A235  A(3,2,5)              121.9799         estimate D2E/DX2                !
 ! A236  A(4,2,5)              112.4            estimate D2E/DX2                !
 ! A237  A(2,4,6)              121.613          estimate D2E/DX2                !
 ! A238  A(2,4,10)             121.6501         estimate D2E/DX2                !
 ! A239  A(6,4,10)             116.699          estimate D2E/DX2                !
 ! A240  A(1,6,7)               98.0658         estimate D2E/DX2                !
 ! A241  A(1,6,9)              151.9085         estimate D2E/DX2                !
 ! A242  A(4,6,7)              109.5537         estimate D2E/DX2                !
 ! A243  A(4,6,8)              109.656          estimate D2E/DX2                !
 ! A244  A(4,6,9)              110.2909         estimate D2E/DX2                !
 ! A245  A(7,6,8)              109.2853         estimate D2E/DX2                !
 ! A246  A(7,6,9)              109.5267         estimate D2E/DX2                !
 ! A247  A(8,6,9)              108.5068         estimate D2E/DX2                !
 ! A248  A(1,10,12)             78.6513         estimate D2E/DX2                !
 ! A249  A(4,10,11)            109.2064         estimate D2E/DX2                !
 ! A250  A(4,10,12)            109.3109         estimate D2E/DX2                !
 ! A251  A(4,10,13)            110.6318         estimate D2E/DX2                !
 ! A252  A(11,10,12)           109.5121         estimate D2E/DX2                !
 ! A253  A(11,10,13)           108.5869         estimate D2E/DX2                !
 ! A254  A(12,10,13)           109.5742         estimate D2E/DX2                !
 ! A255  A(1,14,15)             98.3784         estimate D2E/DX2                !
 ! A256  A(1,14,17)            102.0314         estimate D2E/DX2                !
 ! A257  A(15,14,16)           125.4884         estimate D2E/DX2                !
 ! A258  A(15,14,17)           122.0445         estimate D2E/DX2                !
 ! A259  A(16,14,17)           112.4557         estimate D2E/DX2                !
 ! A260  A(14,16,18)           121.6268         estimate D2E/DX2                !
 ! A261  A(14,16,22)           121.7432         estimate D2E/DX2                !
 ! A262  A(18,16,22)           116.6273         estimate D2E/DX2                !
 ! A263  A(1,18,21)             77.2831         estimate D2E/DX2                !
 ! A264  A(16,18,19)           108.9075         estimate D2E/DX2                !
 ! A265  A(16,18,20)           110.6623         estimate D2E/DX2                !
 ! A266  A(16,18,21)           109.4127         estimate D2E/DX2                !
 ! A267  A(19,18,20)           108.7722         estimate D2E/DX2                !
 ! A268  A(19,18,21)           109.5582         estimate D2E/DX2                !
 ! A269  A(20,18,21)           109.509          estimate D2E/DX2                !
 ! A270  A(1,22,23)            151.4021         estimate D2E/DX2                !
 ! A271  A(1,22,25)             98.6435         estimate D2E/DX2                !
 ! A272  A(16,22,23)           110.2373         estimate D2E/DX2                !
 ! A273  A(16,22,24)           109.7252         estimate D2E/DX2                !
 ! A274  A(16,22,25)           109.6993         estimate D2E/DX2                !
 ! A275  A(23,22,24)           108.5299         estimate D2E/DX2                !
 ! A276  A(23,22,25)           109.4601         estimate D2E/DX2                !
 ! A277  A(24,22,25)           109.1649         estimate D2E/DX2                !
 ! A278  A(1,26,27)            104.374          estimate D2E/DX2                !
 ! A279  A(1,26,29)            100.0378         estimate D2E/DX2                !
 ! A280  A(27,26,28)           125.4548         estimate D2E/DX2                !
 ! A281  A(27,26,29)           122.0626         estimate D2E/DX2                !
 ! A282  A(28,26,29)           112.4772         estimate D2E/DX2                !
 ! A283  A(26,28,30)           121.5729         estimate D2E/DX2                !
 ! A284  A(26,28,34)           121.1828         estimate D2E/DX2                !
 ! A285  A(30,28,34)           116.9954         estimate D2E/DX2                !
 ! A286  A(1,30,31)            155.0928         estimate D2E/DX2                !
 ! A287  A(1,30,33)             94.6447         estimate D2E/DX2                !
 ! A288  A(28,30,31)           110.3616         estimate D2E/DX2                !
 ! A289  A(28,30,32)           109.6707         estimate D2E/DX2                !
 ! A290  A(28,30,33)           109.547          estimate D2E/DX2                !
 ! A291  A(31,30,32)           108.38           estimate D2E/DX2                !
 ! A292  A(31,30,33)           109.5969         estimate D2E/DX2                !
 ! A293  A(32,30,33)           109.2617         estimate D2E/DX2                !
 ! A294  A(1,34,36)             78.3072         estimate D2E/DX2                !
 ! A295  A(1,34,37)             65.5559         estimate D2E/DX2                !
 ! A296  A(28,34,35)           110.7375         estimate D2E/DX2                !
 ! A297  A(28,34,36)           109.1882         estimate D2E/DX2                !
 ! A298  A(28,34,37)           109.0191         estimate D2E/DX2                !
 ! A299  A(35,34,36)           109.4074         estimate D2E/DX2                !
 ! A300  A(35,34,37)           108.7617         estimate D2E/DX2                !
 ! A301  A(36,34,37)           109.7124         estimate D2E/DX2                !
 ! A302  A(1,38,39)            105.3097         estimate D2E/DX2                !
 ! A303  A(1,38,41)             94.7674         estimate D2E/DX2                !
 ! A304  A(39,38,40)           125.6269         estimate D2E/DX2                !
 ! A305  A(39,38,41)           121.8935         estimate D2E/DX2                !
 ! A306  A(40,38,41)           112.4582         estimate D2E/DX2                !
 ! A307  A(38,40,42)           121.7076         estimate D2E/DX2                !
 ! A308  A(38,40,46)           121.6831         estimate D2E/DX2                !
 ! A309  A(42,40,46)           116.5673         estimate D2E/DX2                !
 ! A310  A(1,42,43)             97.2165         estimate D2E/DX2                !
 ! A311  A(1,42,44)            153.0253         estimate D2E/DX2                !
 ! A312  A(40,42,43)           109.7599         estimate D2E/DX2                !
 ! A313  A(40,42,44)           110.2003         estimate D2E/DX2                !
 ! A314  A(40,42,45)           109.6685         estimate D2E/DX2                !
 ! A315  A(43,42,44)           109.3995         estimate D2E/DX2                !
 ! A316  A(43,42,45)           109.3173         estimate D2E/DX2                !
 ! A317  A(44,42,45)           108.4716         estimate D2E/DX2                !
 ! A318  A(1,46,47)             77.0653         estimate D2E/DX2                !
 ! A319  A(40,46,47)           109.4268         estimate D2E/DX2                !
 ! A320  A(40,46,48)           108.9261         estimate D2E/DX2                !
 ! A321  A(40,46,49)           110.595          estimate D2E/DX2                !
 ! A322  A(47,46,48)           109.5757         estimate D2E/DX2                !
 ! A323  A(47,46,49)           109.5934         estimate D2E/DX2                !
 ! A324  A(48,46,49)           108.7047         estimate D2E/DX2                !
 ! A325  L(8,1,18,2,-1)        167.288          estimate D2E/DX2                !
 ! A326  L(22,1,45,2,-1)       189.7018         estimate D2E/DX2                !
 ! A327  L(24,1,45,2,-1)       173.4718         estimate D2E/DX2                !
 ! A328  L(1,10,13,12,-1)      188.2255         estimate D2E/DX2                !
 ! A329  L(1,18,20,21,-1)      186.7921         estimate D2E/DX2                !
 ! A330  L(1,34,35,36,-1)      187.7146         estimate D2E/DX2                !
 ! A331  L(1,46,49,47,-1)      186.6587         estimate D2E/DX2                !
 ! A332  L(8,1,18,2,-2)        183.5959         estimate D2E/DX2                !
 ! A333  L(22,1,45,2,-2)       179.1005         estimate D2E/DX2                !
 ! A334  L(24,1,45,2,-2)       176.2633         estimate D2E/DX2                !
 ! A335  L(1,10,13,12,-2)      184.6926         estimate D2E/DX2                !
 ! A336  L(1,18,20,21,-2)      176.2274         estimate D2E/DX2                !
 ! A337  L(1,34,35,36,-2)      177.7038         estimate D2E/DX2                !
 ! A338  L(1,46,49,47,-2)      176.9007         estimate D2E/DX2                !
 ! D1    D(6,1,2,3)            157.0118         estimate D2E/DX2                !
 ! D2    D(6,1,2,5)            -77.8295         estimate D2E/DX2                !
 ! D3    D(8,1,2,3)            155.2873         estimate D2E/DX2                !
 ! D4    D(8,1,2,5)            -79.554          estimate D2E/DX2                !
 ! D5    D(10,1,2,3)            92.5723         estimate D2E/DX2                !
 ! D6    D(10,1,2,5)          -142.269          estimate D2E/DX2                !
 ! D7    D(11,1,2,3)           101.3937         estimate D2E/DX2                !
 ! D8    D(11,1,2,5)          -133.4476         estimate D2E/DX2                !
 ! D9    D(14,1,2,3)            13.2501         estimate D2E/DX2                !
 ! D10   D(14,1,2,5)           138.4088         estimate D2E/DX2                !
 ! D11   D(16,1,2,3)            -1.8994         estimate D2E/DX2                !
 ! D12   D(16,1,2,5)           123.2593         estimate D2E/DX2                !
 ! D13   D(18,1,2,3)           -28.3086         estimate D2E/DX2                !
 ! D14   D(18,1,2,5)            96.85           estimate D2E/DX2                !
 ! D15   D(19,1,2,3)           -35.2072         estimate D2E/DX2                !
 ! D16   D(19,1,2,5)            89.9514         estimate D2E/DX2                !
 ! D17   D(22,1,2,3)             8.7677         estimate D2E/DX2                !
 ! D18   D(22,1,2,5)           133.9264         estimate D2E/DX2                !
 ! D19   D(24,1,2,3)             5.9305         estimate D2E/DX2                !
 ! D20   D(24,1,2,5)           131.0892         estimate D2E/DX2                !
 ! D21   D(26,1,2,3)           130.9489         estimate D2E/DX2                !
 ! D22   D(26,1,2,5)          -103.8924         estimate D2E/DX2                !
 ! D23   D(28,1,2,3)           116.4932         estimate D2E/DX2                !
 ! D24   D(28,1,2,5)          -118.3481         estimate D2E/DX2                !
 ! D25   D(30,1,2,3)            91.3291         estimate D2E/DX2                !
 ! D26   D(30,1,2,5)          -143.5122         estimate D2E/DX2                !
 ! D27   D(32,1,2,3)            73.6894         estimate D2E/DX2                !
 ! D28   D(32,1,2,5)          -161.1519         estimate D2E/DX2                !
 ! D29   D(34,1,2,3)           127.5214         estimate D2E/DX2                !
 ! D30   D(34,1,2,5)          -107.3199         estimate D2E/DX2                !
 ! D31   D(38,1,2,3)          -115.2308         estimate D2E/DX2                !
 ! D32   D(38,1,2,5)             9.9279         estimate D2E/DX2                !
 ! D33   D(40,1,2,3)          -132.279          estimate D2E/DX2                !
 ! D34   D(40,1,2,5)            -7.1204         estimate D2E/DX2                !
 ! D35   D(42,1,2,3)          -154.4593         estimate D2E/DX2                !
 ! D36   D(42,1,2,5)           -29.3007         estimate D2E/DX2                !
 ! D37   D(45,1,2,3)          -170.3328         estimate D2E/DX2                !
 ! D38   D(45,1,2,5)           -45.1741         estimate D2E/DX2                !
 ! D39   D(46,1,2,3)          -127.6583         estimate D2E/DX2                !
 ! D40   D(46,1,2,5)            -2.4996         estimate D2E/DX2                !
 ! D41   D(48,1,2,3)          -145.7643         estimate D2E/DX2                !
 ! D42   D(48,1,2,5)           -20.6056         estimate D2E/DX2                !
 ! D43   D(2,1,6,7)             77.1341         estimate D2E/DX2                !
 ! D44   D(2,1,6,9)           -113.6238         estimate D2E/DX2                !
 ! D45   D(10,1,6,7)           142.9487         estimate D2E/DX2                !
 ! D46   D(10,1,6,9)           -47.8093         estimate D2E/DX2                !
 ! D47   D(11,1,6,7)           169.3245         estimate D2E/DX2                !
 ! D48   D(11,1,6,9)           -21.4335         estimate D2E/DX2                !
 ! D49   D(14,1,6,7)           163.8759         estimate D2E/DX2                !
 ! D50   D(14,1,6,9)           -26.882          estimate D2E/DX2                !
 ! D51   D(16,1,6,7)           116.8043         estimate D2E/DX2                !
 ! D52   D(16,1,6,9)           -73.9537         estimate D2E/DX2                !
 ! D53   D(18,1,6,7)            66.9995         estimate D2E/DX2                !
 ! D54   D(18,1,6,9)          -123.7584         estimate D2E/DX2                !
 ! D55   D(19,1,6,7)            60.4061         estimate D2E/DX2                !
 ! D56   D(19,1,6,9)          -130.3519         estimate D2E/DX2                !
 ! D57   D(22,1,6,7)           117.4182         estimate D2E/DX2                !
 ! D58   D(22,1,6,9)           -73.3398         estimate D2E/DX2                !
 ! D59   D(24,1,6,7)           107.5088         estimate D2E/DX2                !
 ! D60   D(24,1,6,9)           -83.2492         estimate D2E/DX2                !
 ! D61   D(26,1,6,7)          -131.5233         estimate D2E/DX2                !
 ! D62   D(26,1,6,9)            37.7187         estimate D2E/DX2                !
 ! D63   D(28,1,6,7)          -138.3275         estimate D2E/DX2                !
 ! D64   D(28,1,6,9)            30.9145         estimate D2E/DX2                !
 ! D65   D(30,1,6,7)          -161.213          estimate D2E/DX2                !
 ! D66   D(30,1,6,9)             8.029          estimate D2E/DX2                !
 ! D67   D(32,1,6,7)          -171.0352         estimate D2E/DX2                !
 ! D68   D(32,1,6,9)            -1.7932         estimate D2E/DX2                !
 ! D69   D(34,1,6,7)          -121.82           estimate D2E/DX2                !
 ! D70   D(34,1,6,9)            47.422          estimate D2E/DX2                !
 ! D71   D(38,1,6,7)           -10.8702         estimate D2E/DX2                !
 ! D72   D(38,1,6,9)           158.3718         estimate D2E/DX2                !
 ! D73   D(40,1,6,7)           -33.7828         estimate D2E/DX2                !
 ! D74   D(40,1,6,9)           135.4592         estimate D2E/DX2                !
 ! D75   D(42,1,6,7)           -48.2038         estimate D2E/DX2                !
 ! D76   D(42,1,6,9)           121.0382         estimate D2E/DX2                !
 ! D77   D(45,1,6,7)           -66.1608         estimate D2E/DX2                !
 ! D78   D(45,1,6,9)           103.0812         estimate D2E/DX2                !
 ! D79   D(46,1,6,7)           -45.5928         estimate D2E/DX2                !
 ! D80   D(46,1,6,9)           123.6492         estimate D2E/DX2                !
 ! D81   D(48,1,6,7)           -64.4949         estimate D2E/DX2                !
 ! D82   D(48,1,6,9)           104.7471         estimate D2E/DX2                !
 ! D83   D(2,1,10,12)          -85.9255         estimate D2E/DX2                !
 ! D84   D(6,1,10,12)         -148.944          estimate D2E/DX2                !
 ! D85   D(8,1,10,12)         -170.1227         estimate D2E/DX2                !
 ! D86   D(14,1,10,12)          40.9672         estimate D2E/DX2                !
 ! D87   D(16,1,10,12)          17.0039         estimate D2E/DX2                !
 ! D88   D(18,1,10,12)          -4.9756         estimate D2E/DX2                !
 ! D89   D(19,1,10,12)         -23.672          estimate D2E/DX2                !
 ! D90   D(22,1,10,12)          10.5295         estimate D2E/DX2                !
 ! D91   D(24,1,10,12)          -2.4407         estimate D2E/DX2                !
 ! D92   D(26,1,10,12)         135.2874         estimate D2E/DX2                !
 ! D93   D(28,1,10,12)         115.6393         estimate D2E/DX2                !
 ! D94   D(30,1,10,12)          92.8378         estimate D2E/DX2                !
 ! D95   D(32,1,10,12)          76.61           estimate D2E/DX2                !
 ! D96   D(34,1,10,12)         116.2995         estimate D2E/DX2                !
 ! D97   D(38,1,10,12)        -118.4136         estimate D2E/DX2                !
 ! D98   D(40,1,10,12)        -144.9288         estimate D2E/DX2                !
 ! D99   D(42,1,10,12)        -159.6164         estimate D2E/DX2                !
 ! D100  D(45,1,10,12)        -175.2097         estimate D2E/DX2                !
 ! D101  D(46,1,10,12)        -163.9355         estimate D2E/DX2                !
 ! D102  D(48,1,10,12)         166.6486         estimate D2E/DX2                !
 ! D103  D(2,1,14,15)         -163.7295         estimate D2E/DX2                !
 ! D104  D(2,1,14,17)           70.8385         estimate D2E/DX2                !
 ! D105  D(4,1,14,15)          164.8405         estimate D2E/DX2                !
 ! D106  D(4,1,14,17)           39.4084         estimate D2E/DX2                !
 ! D107  D(6,1,14,15)          136.138          estimate D2E/DX2                !
 ! D108  D(6,1,14,17)           10.7059         estimate D2E/DX2                !
 ! D109  D(8,1,14,15)          102.5068         estimate D2E/DX2                !
 ! D110  D(8,1,14,17)          -22.9253         estimate D2E/DX2                !
 ! D111  D(10,1,14,15)         150.9473         estimate D2E/DX2                !
 ! D112  D(10,1,14,17)          25.5152         estimate D2E/DX2                !
 ! D113  D(11,1,14,15)         132.0878         estimate D2E/DX2                !
 ! D114  D(11,1,14,17)           6.6557         estimate D2E/DX2                !
 ! D115  D(18,1,14,15)         -92.2593         estimate D2E/DX2                !
 ! D116  D(18,1,14,17)         142.3086         estimate D2E/DX2                !
 ! D117  D(19,1,14,15)        -101.5412         estimate D2E/DX2                !
 ! D118  D(19,1,14,17)         133.0267         estimate D2E/DX2                !
 ! D119  D(22,1,14,15)        -156.7187         estimate D2E/DX2                !
 ! D120  D(22,1,14,17)          77.8493         estimate D2E/DX2                !
 ! D121  D(24,1,14,15)        -155.1556         estimate D2E/DX2                !
 ! D122  D(24,1,14,17)          79.4123         estimate D2E/DX2                !
 ! D123  D(26,1,14,15)          79.5407         estimate D2E/DX2                !
 ! D124  D(26,1,14,17)         -45.8914         estimate D2E/DX2                !
 ! D125  D(28,1,14,15)          77.5346         estimate D2E/DX2                !
 ! D126  D(28,1,14,17)         -47.8975         estimate D2E/DX2                !
 ! D127  D(30,1,14,15)          97.8626         estimate D2E/DX2                !
 ! D128  D(30,1,14,17)         -27.5694         estimate D2E/DX2                !
 ! D129  D(32,1,14,15)         104.713          estimate D2E/DX2                !
 ! D130  D(32,1,14,17)         -20.719          estimate D2E/DX2                !
 ! D131  D(34,1,14,15)          54.4564         estimate D2E/DX2                !
 ! D132  D(34,1,14,17)         -70.9757         estimate D2E/DX2                !
 ! D133  D(38,1,14,15)         -50.0087         estimate D2E/DX2                !
 ! D134  D(38,1,14,17)        -175.4408         estimate D2E/DX2                !
 ! D135  D(40,1,14,15)         -23.5638         estimate D2E/DX2                !
 ! D136  D(40,1,14,17)        -148.9959         estimate D2E/DX2                !
 ! D137  D(42,1,14,15)          -0.9975         estimate D2E/DX2                !
 ! D138  D(42,1,14,17)        -126.4296         estimate D2E/DX2                !
 ! D139  D(45,1,14,15)          20.9589         estimate D2E/DX2                !
 ! D140  D(45,1,14,17)        -104.4732         estimate D2E/DX2                !
 ! D141  D(46,1,14,15)         -15.5931         estimate D2E/DX2                !
 ! D142  D(46,1,14,17)        -141.0252         estimate D2E/DX2                !
 ! D143  D(48,1,14,15)           1.6528         estimate D2E/DX2                !
 ! D144  D(48,1,14,17)        -123.7793         estimate D2E/DX2                !
 ! D145  D(2,1,18,21)         -141.7423         estimate D2E/DX2                !
 ! D146  D(4,1,18,21)         -154.8316         estimate D2E/DX2                !
 ! D147  D(6,1,18,21)         -134.7942         estimate D2E/DX2                !
 ! D148  D(10,1,18,21)         174.2322         estimate D2E/DX2                !
 ! D149  D(11,1,18,21)         153.1251         estimate D2E/DX2                !
 ! D150  D(14,1,18,21)          86.8885         estimate D2E/DX2                !
 ! D151  D(22,1,18,21)         149.8742         estimate D2E/DX2                !
 ! D152  D(24,1,18,21)         170.9015         estimate D2E/DX2                !
 ! D153  D(26,1,18,21)          73.5522         estimate D2E/DX2                !
 ! D154  D(28,1,18,21)          75.0853         estimate D2E/DX2                !
 ! D155  D(30,1,18,21)          96.7003         estimate D2E/DX2                !
 ! D156  D(32,1,18,21)         100.127          estimate D2E/DX2                !
 ! D157  D(34,1,18,21)          54.1416         estimate D2E/DX2                !
 ! D158  D(38,1,18,21)         -58.2164         estimate D2E/DX2                !
 ! D159  D(40,1,18,21)         -37.7238         estimate D2E/DX2                !
 ! D160  D(42,1,18,21)         -34.9147         estimate D2E/DX2                !
 ! D161  D(45,1,18,21)         -19.0839         estimate D2E/DX2                !
 ! D162  D(46,1,18,21)         -17.1785         estimate D2E/DX2                !
 ! D163  D(48,1,18,21)          -0.507          estimate D2E/DX2                !
 ! D164  D(2,1,22,23)          -71.7547         estimate D2E/DX2                !
 ! D165  D(2,1,22,25)           97.6144         estimate D2E/DX2                !
 ! D166  D(4,1,22,23)          -92.473          estimate D2E/DX2                !
 ! D167  D(4,1,22,25)           76.8961         estimate D2E/DX2                !
 ! D168  D(6,1,22,23)          -96.3385         estimate D2E/DX2                !
 ! D169  D(6,1,22,25)           73.0306         estimate D2E/DX2                !
 ! D170  D(8,1,22,23)         -113.3346         estimate D2E/DX2                !
 ! D171  D(8,1,22,25)           56.0346         estimate D2E/DX2                !
 ! D172  D(10,1,22,23)        -112.6337         estimate D2E/DX2                !
 ! D173  D(10,1,22,25)          56.7355         estimate D2E/DX2                !
 ! D174  D(11,1,22,23)        -129.8809         estimate D2E/DX2                !
 ! D175  D(11,1,22,25)          39.4882         estimate D2E/DX2                !
 ! D176  D(14,1,22,23)         113.4329         estimate D2E/DX2                !
 ! D177  D(14,1,22,25)         -77.198          estimate D2E/DX2                !
 ! D178  D(18,1,22,23)          47.7762         estimate D2E/DX2                !
 ! D179  D(18,1,22,25)        -142.8547         estimate D2E/DX2                !
 ! D180  D(19,1,22,23)          21.1421         estimate D2E/DX2                !
 ! D181  D(19,1,22,25)        -169.4888         estimate D2E/DX2                !
 ! D182  D(26,1,22,23)        -175.3746         estimate D2E/DX2                !
 ! D183  D(26,1,22,25)          -6.0055         estimate D2E/DX2                !
 ! D184  D(28,1,22,23)         169.2961         estimate D2E/DX2                !
 ! D185  D(28,1,22,25)         -21.3348         estimate D2E/DX2                !
 ! D186  D(30,1,22,23)         177.4453         estimate D2E/DX2                !
 ! D187  D(30,1,22,25)         -13.1855         estimate D2E/DX2                !
 ! D188  D(32,1,22,23)         171.3286         estimate D2E/DX2                !
 ! D189  D(32,1,22,25)         -19.3023         estimate D2E/DX2                !
 ! D190  D(34,1,22,23)         144.077          estimate D2E/DX2                !
 ! D191  D(34,1,22,25)         -46.5539         estimate D2E/DX2                !
 ! D192  D(38,1,22,23)          13.13           estimate D2E/DX2                !
 ! D193  D(38,1,22,25)        -177.5008         estimate D2E/DX2                !
 ! D194  D(40,1,22,23)          36.2348         estimate D2E/DX2                !
 ! D195  D(40,1,22,25)        -154.3961         estimate D2E/DX2                !
 ! D196  D(42,1,22,23)          34.2058         estimate D2E/DX2                !
 ! D197  D(42,1,22,25)        -156.425          estimate D2E/DX2                !
 ! D198  D(46,1,22,23)          63.6468         estimate D2E/DX2                !
 ! D199  D(46,1,22,25)        -126.9841         estimate D2E/DX2                !
 ! D200  D(48,1,22,23)          85.9481         estimate D2E/DX2                !
 ! D201  D(48,1,22,25)        -104.6828         estimate D2E/DX2                !
 ! D202  D(2,1,26,27)           94.05           estimate D2E/DX2                !
 ! D203  D(2,1,26,29)          -32.9548         estimate D2E/DX2                !
 ! D204  D(4,1,26,27)           96.3117         estimate D2E/DX2                !
 ! D205  D(4,1,26,29)          -30.6931         estimate D2E/DX2                !
 ! D206  D(6,1,26,27)           75.7991         estimate D2E/DX2                !
 ! D207  D(6,1,26,29)          -51.2056         estimate D2E/DX2                !
 ! D208  D(8,1,26,27)           67.1689         estimate D2E/DX2                !
 ! D209  D(8,1,26,29)          -59.8359         estimate D2E/DX2                !
 ! D210  D(10,1,26,27)         120.1814         estimate D2E/DX2                !
 ! D211  D(10,1,26,29)          -6.8233         estimate D2E/DX2                !
 ! D212  D(11,1,26,27)         126.7516         estimate D2E/DX2                !
 ! D213  D(11,1,26,29)          -0.2532         estimate D2E/DX2                !
 ! D214  D(14,1,26,27)        -128.1326         estimate D2E/DX2                !
 ! D215  D(14,1,26,29)         104.8626         estimate D2E/DX2                !
 ! D216  D(16,1,26,27)        -139.0376         estimate D2E/DX2                !
 ! D217  D(16,1,26,29)          93.9576         estimate D2E/DX2                !
 ! D218  D(18,1,26,27)        -119.2367         estimate D2E/DX2                !
 ! D219  D(18,1,26,29)         113.7585         estimate D2E/DX2                !
 ! D220  D(19,1,26,27)        -130.8334         estimate D2E/DX2                !
 ! D221  D(19,1,26,29)         102.1619         estimate D2E/DX2                !
 ! D222  D(22,1,26,27)        -166.4883         estimate D2E/DX2                !
 ! D223  D(22,1,26,29)          66.5069         estimate D2E/DX2                !
 ! D224  D(24,1,26,27)         174.6987         estimate D2E/DX2                !
 ! D225  D(24,1,26,29)          47.694          estimate D2E/DX2                !
 ! D226  D(30,1,26,27)        -155.2723         estimate D2E/DX2                !
 ! D227  D(30,1,26,29)          77.723          estimate D2E/DX2                !
 ! D228  D(32,1,26,27)        -151.8064         estimate D2E/DX2                !
 ! D229  D(32,1,26,29)          81.1888         estimate D2E/DX2                !
 ! D230  D(34,1,26,27)         -89.3818         estimate D2E/DX2                !
 ! D231  D(34,1,26,29)         143.6134         estimate D2E/DX2                !
 ! D232  D(38,1,26,27)           5.782          estimate D2E/DX2                !
 ! D233  D(38,1,26,29)        -121.2228         estimate D2E/DX2                !
 ! D234  D(40,1,26,27)          -6.5441         estimate D2E/DX2                !
 ! D235  D(40,1,26,29)        -133.5488         estimate D2E/DX2                !
 ! D236  D(42,1,26,27)           4.6713         estimate D2E/DX2                !
 ! D237  D(42,1,26,29)        -122.3335         estimate D2E/DX2                !
 ! D238  D(45,1,26,27)           2.1335         estimate D2E/DX2                !
 ! D239  D(45,1,26,29)        -124.8712         estimate D2E/DX2                !
 ! D240  D(46,1,26,27)         -31.0872         estimate D2E/DX2                !
 ! D241  D(46,1,26,29)        -158.0919         estimate D2E/DX2                !
 ! D242  D(48,1,26,27)         -40.284          estimate D2E/DX2                !
 ! D243  D(48,1,26,29)        -167.2888         estimate D2E/DX2                !
 ! D244  D(2,1,30,31)         -166.3112         estimate D2E/DX2                !
 ! D245  D(2,1,30,33)            0.5906         estimate D2E/DX2                !
 ! D246  D(4,1,30,31)         -178.7407         estimate D2E/DX2                !
 ! D247  D(4,1,30,33)          -11.8388         estimate D2E/DX2                !
 ! D248  D(6,1,30,31)          157.8225         estimate D2E/DX2                !
 ! D249  D(6,1,30,33)          -35.2757         estimate D2E/DX2                !
 ! D250  D(8,1,30,31)          144.4801         estimate D2E/DX2                !
 ! D251  D(8,1,30,33)          -48.618          estimate D2E/DX2                !
 ! D252  D(10,1,30,31)        -167.1825         estimate D2E/DX2                !
 ! D253  D(10,1,30,33)          -0.2807         estimate D2E/DX2                !
 ! D254  D(11,1,30,31)        -176.8975         estimate D2E/DX2                !
 ! D255  D(11,1,30,33)          -9.9957         estimate D2E/DX2                !
 ! D256  D(14,1,30,31)         -37.9305         estimate D2E/DX2                !
 ! D257  D(14,1,30,33)         128.9714         estimate D2E/DX2                !
 ! D258  D(16,1,30,31)         -53.0908         estimate D2E/DX2                !
 ! D259  D(16,1,30,33)         113.811          estimate D2E/DX2                !
 ! D260  D(18,1,30,31)         -44.8623         estimate D2E/DX2                !
 ! D261  D(18,1,30,33)         122.0396         estimate D2E/DX2                !
 ! D262  D(19,1,30,31)         -57.2412         estimate D2E/DX2                !
 ! D263  D(19,1,30,33)         109.6607         estimate D2E/DX2                !
 ! D264  D(22,1,30,31)         -76.429          estimate D2E/DX2                !
 ! D265  D(22,1,30,33)          90.4728         estimate D2E/DX2                !
 ! D266  D(24,1,30,31)         -90.5606         estimate D2E/DX2                !
 ! D267  D(24,1,30,33)          76.3413         estimate D2E/DX2                !
 ! D268  D(26,1,30,31)         113.2607         estimate D2E/DX2                !
 ! D269  D(26,1,30,33)         -79.8374         estimate D2E/DX2                !
 ! D270  D(34,1,30,31)          49.2848         estimate D2E/DX2                !
 ! D271  D(34,1,30,33)        -143.8133         estimate D2E/DX2                !
 ! D272  D(38,1,30,31)          76.8804         estimate D2E/DX2                !
 ! D273  D(38,1,30,33)        -116.2178         estimate D2E/DX2                !
 ! D274  D(40,1,30,31)          72.6228         estimate D2E/DX2                !
 ! D275  D(40,1,30,33)        -120.4754         estimate D2E/DX2                !
 ! D276  D(42,1,30,31)          92.4332         estimate D2E/DX2                !
 ! D277  D(42,1,30,33)        -100.6649         estimate D2E/DX2                !
 ! D278  D(45,1,30,31)          94.1468         estimate D2E/DX2                !
 ! D279  D(45,1,30,33)         -98.9513         estimate D2E/DX2                !
 ! D280  D(46,1,30,31)          48.6585         estimate D2E/DX2                !
 ! D281  D(46,1,30,33)        -144.4396         estimate D2E/DX2                !
 ! D282  D(48,1,30,31)          50.1864         estimate D2E/DX2                !
 ! D283  D(48,1,30,33)        -142.9117         estimate D2E/DX2                !
 ! D284  D(2,1,34,36)           92.314          estimate D2E/DX2                !
 ! D285  D(2,1,34,37)         -149.4936         estimate D2E/DX2                !
 ! D286  D(4,1,34,36)           93.3154         estimate D2E/DX2                !
 ! D287  D(4,1,34,37)         -148.4922         estimate D2E/DX2                !
 ! D288  D(6,1,34,36)           73.3533         estimate D2E/DX2                !
 ! D289  D(6,1,34,37)         -168.4543         estimate D2E/DX2                !
 ! D290  D(8,1,34,36)           69.4246         estimate D2E/DX2                !
 ! D291  D(8,1,34,37)         -172.383          estimate D2E/DX2                !
 ! D292  D(10,1,34,36)         115.1017         estimate D2E/DX2                !
 ! D293  D(10,1,34,37)        -126.7058         estimate D2E/DX2                !
 ! D294  D(11,1,34,36)         114.333          estimate D2E/DX2                !
 ! D295  D(11,1,34,37)        -127.4746         estimate D2E/DX2                !
 ! D296  D(14,1,34,36)        -133.0829         estimate D2E/DX2                !
 ! D297  D(14,1,34,37)         -14.8905         estimate D2E/DX2                !
 ! D298  D(16,1,34,36)        -132.8736         estimate D2E/DX2                !
 ! D299  D(16,1,34,37)         -14.6812         estimate D2E/DX2                !
 ! D300  D(18,1,34,36)        -111.1539         estimate D2E/DX2                !
 ! D301  D(18,1,34,37)           7.0385         estimate D2E/DX2                !
 ! D302  D(19,1,34,36)        -108.6161         estimate D2E/DX2                !
 ! D303  D(19,1,34,37)           9.5763         estimate D2E/DX2                !
 ! D304  D(22,1,34,36)        -153.2096         estimate D2E/DX2                !
 ! D305  D(22,1,34,37)         -35.0172         estimate D2E/DX2                !
 ! D306  D(24,1,34,36)        -161.515          estimate D2E/DX2                !
 ! D307  D(24,1,34,37)         -43.3226         estimate D2E/DX2                !
 ! D308  D(26,1,34,36)          87.0528         estimate D2E/DX2                !
 ! D309  D(26,1,34,37)        -154.7547         estimate D2E/DX2                !
 ! D310  D(30,1,34,36)         150.0894         estimate D2E/DX2                !
 ! D311  D(30,1,34,37)         -91.7182         estimate D2E/DX2                !
 ! D312  D(32,1,34,36)         172.2315         estimate D2E/DX2                !
 ! D313  D(32,1,34,37)         -69.5761         estimate D2E/DX2                !
 ! D314  D(38,1,34,36)         -15.5227         estimate D2E/DX2                !
 ! D315  D(38,1,34,37)         102.6697         estimate D2E/DX2                !
 ! D316  D(40,1,34,36)         -11.5717         estimate D2E/DX2                !
 ! D317  D(40,1,34,37)         106.6207         estimate D2E/DX2                !
 ! D318  D(42,1,34,36)          10.1808         estimate D2E/DX2                !
 ! D319  D(42,1,34,37)         128.3732         estimate D2E/DX2                !
 ! D320  D(45,1,34,36)          19.8454         estimate D2E/DX2                !
 ! D321  D(45,1,34,37)         138.0378         estimate D2E/DX2                !
 ! D322  D(46,1,34,36)         -30.5083         estimate D2E/DX2                !
 ! D323  D(46,1,34,37)          87.6841         estimate D2E/DX2                !
 ! D324  D(48,1,34,36)         -28.8195         estimate D2E/DX2                !
 ! D325  D(48,1,34,37)          89.3729         estimate D2E/DX2                !
 ! D326  D(2,1,38,39)           -8.9584         estimate D2E/DX2                !
 ! D327  D(2,1,38,41)          115.9674         estimate D2E/DX2                !
 ! D328  D(4,1,38,39)           10.7503         estimate D2E/DX2                !
 ! D329  D(4,1,38,41)          135.676          estimate D2E/DX2                !
 ! D330  D(6,1,38,39)           31.25           estimate D2E/DX2                !
 ! D331  D(6,1,38,41)          156.1757         estimate D2E/DX2                !
 ! D332  D(8,1,38,39)           47.7038         estimate D2E/DX2                !
 ! D333  D(8,1,38,41)          172.6296         estimate D2E/DX2                !
 ! D334  D(10,1,38,39)          11.8451         estimate D2E/DX2                !
 ! D335  D(10,1,38,41)         136.7709         estimate D2E/DX2                !
 ! D336  D(11,1,38,39)          31.4246         estimate D2E/DX2                !
 ! D337  D(11,1,38,41)         156.3503         estimate D2E/DX2                !
 ! D338  D(14,1,38,39)        -146.0472         estimate D2E/DX2                !
 ! D339  D(14,1,38,41)         -21.1214         estimate D2E/DX2                !
 ! D340  D(16,1,38,39)        -122.2452         estimate D2E/DX2                !
 ! D341  D(16,1,38,41)           2.6805         estimate D2E/DX2                !
 ! D342  D(18,1,38,39)        -119.9538         estimate D2E/DX2                !
 ! D343  D(18,1,38,41)           4.972          estimate D2E/DX2                !
 ! D344  D(19,1,38,39)        -103.9683         estimate D2E/DX2                !
 ! D345  D(19,1,38,41)          20.9575         estimate D2E/DX2                !
 ! D346  D(22,1,38,39)         -98.3434         estimate D2E/DX2                !
 ! D347  D(22,1,38,41)          26.5823         estimate D2E/DX2                !
 ! D348  D(24,1,38,39)         -80.1746         estimate D2E/DX2                !
 ! D349  D(24,1,38,41)          44.7511         estimate D2E/DX2                !
 ! D350  D(26,1,38,39)          89.6578         estimate D2E/DX2                !
 ! D351  D(26,1,38,41)        -145.4165         estimate D2E/DX2                !
 ! D352  D(28,1,38,39)         110.7714         estimate D2E/DX2                !
 ! D353  D(28,1,38,41)        -124.3029         estimate D2E/DX2                !
 ! D354  D(30,1,38,39)         114.1498         estimate D2E/DX2                !
 ! D355  D(30,1,38,41)        -120.9244         estimate D2E/DX2                !
 ! D356  D(32,1,38,39)         148.7876         estimate D2E/DX2                !
 ! D357  D(32,1,38,41)         -86.2867         estimate D2E/DX2                !
 ! D358  D(34,1,38,39)         133.1111         estimate D2E/DX2                !
 ! D359  D(34,1,38,41)        -101.9632         estimate D2E/DX2                !
 ! D360  D(42,1,38,39)          91.324          estimate D2E/DX2                !
 ! D361  D(42,1,38,41)        -143.7502         estimate D2E/DX2                !
 ! D362  D(45,1,38,39)          93.374          estimate D2E/DX2                !
 ! D363  D(45,1,38,41)        -141.7003         estimate D2E/DX2                !
 ! D364  D(46,1,38,39)         155.2323         estimate D2E/DX2                !
 ! D365  D(46,1,38,41)         -79.8419         estimate D2E/DX2                !
 ! D366  D(48,1,38,39)         146.0172         estimate D2E/DX2                !
 ! D367  D(48,1,38,41)         -89.0571         estimate D2E/DX2                !
 ! D368  D(2,1,42,43)            0.8443         estimate D2E/DX2                !
 ! D369  D(2,1,42,44)         -169.8684         estimate D2E/DX2                !
 ! D370  D(4,1,42,43)           23.2117         estimate D2E/DX2                !
 ! D371  D(4,1,42,44)         -147.501          estimate D2E/DX2                !
 ! D372  D(6,1,42,43)           32.489          estimate D2E/DX2                !
 ! D373  D(6,1,42,44)         -138.2237         estimate D2E/DX2                !
 ! D374  D(8,1,42,43)           49.1313         estimate D2E/DX2                !
 ! D375  D(8,1,42,44)         -121.5814         estimate D2E/DX2                !
 ! D376  D(10,1,42,43)          40.032          estimate D2E/DX2                !
 ! D377  D(10,1,42,44)        -130.6807         estimate D2E/DX2                !
 ! D378  D(11,1,42,43)          58.4807         estimate D2E/DX2                !
 ! D379  D(11,1,42,44)        -112.232          estimate D2E/DX2                !
 ! D380  D(14,1,42,43)        -166.4585         estimate D2E/DX2                !
 ! D381  D(14,1,42,44)          22.8288         estimate D2E/DX2                !
 ! D382  D(16,1,42,43)        -134.7107         estimate D2E/DX2                !
 ! D383  D(16,1,42,44)          54.5766         estimate D2E/DX2                !
 ! D384  D(18,1,42,43)        -115.5894         estimate D2E/DX2                !
 ! D385  D(18,1,42,44)          73.6979         estimate D2E/DX2                !
 ! D386  D(19,1,42,43)         -94.8783         estimate D2E/DX2                !
 ! D387  D(19,1,42,44)          94.409          estimate D2E/DX2                !
 ! D388  D(22,1,42,43)        -105.2025         estimate D2E/DX2                !
 ! D389  D(22,1,42,44)          84.0848         estimate D2E/DX2                !
 ! D390  D(24,1,42,43)         -57.7202         estimate D2E/DX2                !
 ! D391  D(24,1,42,44)         131.5671         estimate D2E/DX2                !
 ! D392  D(26,1,42,43)         100.8468         estimate D2E/DX2                !
 ! D393  D(26,1,42,44)         -69.8659         estimate D2E/DX2                !
 ! D394  D(28,1,42,43)         117.9631         estimate D2E/DX2                !
 ! D395  D(28,1,42,44)         -52.7496         estimate D2E/DX2                !
 ! D396  D(30,1,42,43)         114.4315         estimate D2E/DX2                !
 ! D397  D(30,1,42,44)         -56.2812         estimate D2E/DX2                !
 ! D398  D(32,1,42,43)         124.9766         estimate D2E/DX2                !
 ! D399  D(32,1,42,44)         -45.7361         estimate D2E/DX2                !
 ! D400  D(34,1,42,43)         141.2846         estimate D2E/DX2                !
 ! D401  D(34,1,42,44)         -29.4281         estimate D2E/DX2                !
 ! D402  D(38,1,42,43)         -77.5784         estimate D2E/DX2                !
 ! D403  D(38,1,42,44)         111.7089         estimate D2E/DX2                !
 ! D404  D(46,1,42,43)        -143.6411         estimate D2E/DX2                !
 ! D405  D(46,1,42,44)          45.6462         estimate D2E/DX2                !
 ! D406  D(48,1,42,43)        -170.293          estimate D2E/DX2                !
 ! D407  D(48,1,42,44)          18.9943         estimate D2E/DX2                !
 ! D408  D(2,1,46,47)          106.0315         estimate D2E/DX2                !
 ! D409  D(4,1,46,47)          133.6397         estimate D2E/DX2                !
 ! D410  D(6,1,46,47)          146.5314         estimate D2E/DX2                !
 ! D411  D(8,1,46,47)          161.3142         estimate D2E/DX2                !
 ! D412  D(10,1,46,47)         156.6564         estimate D2E/DX2                !
 ! D413  D(11,1,46,47)        -175.6704         estimate D2E/DX2                !
 ! D414  D(14,1,46,47)         -45.9863         estimate D2E/DX2                !
 ! D415  D(16,1,46,47)         -24.2469         estimate D2E/DX2                !
 ! D416  D(18,1,46,47)          -6.3414         estimate D2E/DX2                !
 ! D417  D(19,1,46,47)          11.3741         estimate D2E/DX2                !
 ! D418  D(22,1,46,47)         -16.5701         estimate D2E/DX2                !
 ! D419  D(24,1,46,47)           1.9359         estimate D2E/DX2                !
 ! D420  D(26,1,46,47)        -149.1514         estimate D2E/DX2                !
 ! D421  D(28,1,46,47)        -127.3564         estimate D2E/DX2                !
 ! D422  D(30,1,46,47)        -113.9734         estimate D2E/DX2                !
 ! D423  D(32,1,46,47)         -95.6423         estimate D2E/DX2                !
 ! D424  D(34,1,46,47)        -114.3997         estimate D2E/DX2                !
 ! D425  D(38,1,46,47)          87.0301         estimate D2E/DX2                !
 ! D426  D(42,1,46,47)         150.2416         estimate D2E/DX2                !
 ! D427  D(45,1,46,47)         171.7853         estimate D2E/DX2                !
 ! D428  D(3,2,4,6)           -177.6699         estimate D2E/DX2                !
 ! D429  D(3,2,4,10)             0.02           estimate D2E/DX2                !
 ! D430  D(5,2,4,6)              1.0407         estimate D2E/DX2                !
 ! D431  D(5,2,4,10)           178.7305         estimate D2E/DX2                !
 ! D432  D(2,4,6,7)              1.4825         estimate D2E/DX2                !
 ! D433  D(2,4,6,8)            121.4187         estimate D2E/DX2                !
 ! D434  D(2,4,6,9)           -119.1473         estimate D2E/DX2                !
 ! D435  D(10,4,6,7)          -176.3162         estimate D2E/DX2                !
 ! D436  D(10,4,6,8)           -56.38           estimate D2E/DX2                !
 ! D437  D(10,4,6,9)            63.054          estimate D2E/DX2                !
 ! D438  D(2,4,10,11)         -136.5362         estimate D2E/DX2                !
 ! D439  D(2,4,10,12)          -16.7446         estimate D2E/DX2                !
 ! D440  D(2,4,10,13)          104.0033         estimate D2E/DX2                !
 ! D441  D(6,4,10,11)           41.2617         estimate D2E/DX2                !
 ! D442  D(6,4,10,12)          161.0533         estimate D2E/DX2                !
 ! D443  D(6,4,10,13)          -78.1988         estimate D2E/DX2                !
 ! D444  D(15,14,16,18)         -0.7941         estimate D2E/DX2                !
 ! D445  D(15,14,16,22)        178.5908         estimate D2E/DX2                !
 ! D446  D(17,14,16,18)       -179.5862         estimate D2E/DX2                !
 ! D447  D(17,14,16,22)         -0.2013         estimate D2E/DX2                !
 ! D448  D(14,16,18,19)        139.4263         estimate D2E/DX2                !
 ! D449  D(14,16,18,20)       -101.0545         estimate D2E/DX2                !
 ! D450  D(14,16,18,21)         19.6976         estimate D2E/DX2                !
 ! D451  D(22,16,18,19)        -39.9885         estimate D2E/DX2                !
 ! D452  D(22,16,18,20)         79.5306         estimate D2E/DX2                !
 ! D453  D(22,16,18,21)       -159.7172         estimate D2E/DX2                !
 ! D454  D(14,16,22,23)        118.5676         estimate D2E/DX2                !
 ! D455  D(14,16,22,24)       -121.9598         estimate D2E/DX2                !
 ! D456  D(14,16,22,25)         -2.0389         estimate D2E/DX2                !
 ! D457  D(18,16,22,23)        -62.0183         estimate D2E/DX2                !
 ! D458  D(18,16,22,24)         57.4543         estimate D2E/DX2                !
 ! D459  D(18,16,22,25)        177.3752         estimate D2E/DX2                !
 ! D460  D(27,26,28,30)       -175.8914         estimate D2E/DX2                !
 ! D461  D(27,26,28,34)         -1.7961         estimate D2E/DX2                !
 ! D462  D(29,26,28,30)          4.9398         estimate D2E/DX2                !
 ! D463  D(29,26,28,34)        179.0351         estimate D2E/DX2                !
 ! D464  D(26,28,30,31)        109.6018         estimate D2E/DX2                !
 ! D465  D(26,28,30,32)       -131.0677         estimate D2E/DX2                !
 ! D466  D(26,28,30,33)        -11.1555         estimate D2E/DX2                !
 ! D467  D(34,28,30,31)        -64.7297         estimate D2E/DX2                !
 ! D468  D(34,28,30,32)         54.6009         estimate D2E/DX2                !
 ! D469  D(34,28,30,33)        174.5131         estimate D2E/DX2                !
 ! D470  D(26,28,34,35)        -93.7518         estimate D2E/DX2                !
 ! D471  D(26,28,34,36)         26.7765         estimate D2E/DX2                !
 ! D472  D(26,28,34,37)        146.6258         estimate D2E/DX2                !
 ! D473  D(30,28,34,35)         80.6032         estimate D2E/DX2                !
 ! D474  D(30,28,34,36)       -158.8685         estimate D2E/DX2                !
 ! D475  D(30,28,34,37)        -39.0192         estimate D2E/DX2                !
 ! D476  D(39,38,40,42)         -1.6622         estimate D2E/DX2                !
 ! D477  D(39,38,40,46)       -179.2229         estimate D2E/DX2                !
 ! D478  D(41,38,40,42)        180.0            estimate D2E/DX2                !
 ! D479  D(41,38,40,46)          2.4393         estimate D2E/DX2                !
 ! D480  D(38,40,42,43)         -1.3504         estimate D2E/DX2                !
 ! D481  D(38,40,42,44)        119.1963         estimate D2E/DX2                !
 ! D482  D(38,40,42,45)       -121.4613         estimate D2E/DX2                !
 ! D483  D(46,40,42,43)        176.3289         estimate D2E/DX2                !
 ! D484  D(46,40,42,44)        -63.1244         estimate D2E/DX2                !
 ! D485  D(46,40,42,45)         56.218          estimate D2E/DX2                !
 ! D486  D(38,40,46,47)         17.7283         estimate D2E/DX2                !
 ! D487  D(38,40,46,48)        137.4979         estimate D2E/DX2                !
 ! D488  D(38,40,46,49)       -103.0951         estimate D2E/DX2                !
 ! D489  D(42,40,46,47)       -159.9516         estimate D2E/DX2                !
 ! D490  D(42,40,46,48)        -40.182          estimate D2E/DX2                !
 ! D491  D(42,40,46,49)         79.2251         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06
 Number of steps in this run=    294 maximum allowed number of steps=    294.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:16:06 2016, MaxMem=  2952790016 cpu:         0.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.890700   -0.653701    1.713536
      2          6           0       -2.216252    0.960639   -1.406871
      3          8           0       -2.642734   -0.007499   -2.058386
      4          7           0       -0.955381    1.087227   -0.908429
      5          1           0       -2.861145    1.825273   -1.149568
      6          6           0       -0.559735    2.246829   -0.107818
      7          1           0       -1.420953    2.917077    0.019221
      8          1           0       -0.210093    1.911964    0.881978
      9          1           0        0.260942    2.791238   -0.603051
     10          6           0        0.056793    0.046816   -1.104833
     11          1           0        0.598563   -0.114482   -0.159887
     12          1           0       -0.435735   -0.886082   -1.409003
     13          1           0        0.781709    0.351000   -1.878099
     14          6           0       -1.958805   -4.082399    2.650880
     15          8           0       -2.135468   -3.932839    3.871967
     16          7           0       -2.869315   -3.798546    1.680388
     17          1           0       -1.000803   -4.454118    2.236703
     18          6           0       -4.202332   -3.284558    2.004306
     19          1           0       -4.469651   -2.502122    1.276723
     20          1           0       -4.953525   -4.090184    1.951145
     21          1           0       -4.193080   -2.858140    3.015714
     22          6           0       -2.562940   -3.978255    0.261375
     23          1           0       -3.246140   -4.719169   -0.185402
     24          1           0       -2.688208   -3.020540   -0.270608
     25          1           0       -1.525175   -4.321445    0.147013
     26          6           0        1.507974    0.357185    2.614942
     27          8           0        1.352624    1.373327    3.313274
     28          7           0        1.132285   -0.903897    2.961707
     29          1           0        1.969945    0.399964    1.608894
     30          6           0        1.436002   -2.054994    2.110967
     31          1           0        2.204326   -2.689630    2.583850
     32          1           0        0.526729   -2.659622    1.966769
     33          1           0        1.797226   -1.705039    1.134180
     34          6           0        0.519536   -1.182000    4.262914
     35          1           0        1.284021   -1.488449    4.997304
     36          1           0        0.010269   -0.278994    4.622065
     37          1           0       -0.208892   -1.998282    4.148983
     38          6           0       -4.384160    1.582921    2.733641
     39          8           0       -4.511637    2.383916    1.792106
     40          7           0       -3.365774    1.576025    3.636041
     41          1           0       -5.136782    0.794804    2.938286
     42          6           0       -2.260316    2.532752    3.556160
     43          1           0       -2.394694    3.183411    2.681110
     44          1           0       -2.224076    3.149787    4.469241
     45          1           0       -1.306048    1.989912    3.463587
     46          6           0       -3.292361    0.577773    4.705799
     47          1           0       -3.944830   -0.270016    4.459489
     48          1           0       -2.252426    0.228420    4.797425
     49          1           0       -3.604009    1.016873    5.668169
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.528317   0.000000
     3  O    3.900068   1.242437   0.000000
     4  N    3.283345   1.361714   2.316892   0.000000
     5  H    3.909532   1.108911   2.057354   2.057862   0.000000
     6  C    3.674489   2.466956   3.636701   1.463622   2.561140
     7  H    3.980179   2.548311   3.789768   2.103721   2.152268
     8  H    3.177824   3.188812   4.271747   2.107416   3.341073
     9  H    4.675868   3.183349   4.287454   2.115739   3.313487
    10  C    3.496664   2.468407   2.863505   1.464761   3.417495
    11  H    3.161788   3.260987   3.757892   2.102180   4.087994
    12  H    3.452705   2.565273   2.462611   2.101084   3.647104
    13  H    4.588141   3.095398   3.447874   2.121267   3.996827
    14  C    3.555168   6.477951   6.264963   6.356145   7.082246
    15  O    3.933380   7.198526   7.129846   7.031775   7.674521
    16  N    3.293757   5.710298   5.329335   5.851145   6.295717
    17  H    3.938120   6.638715   6.396573   6.371846   7.372819
    18  C    3.514200   5.796753   5.447653   6.175696   6.152729
    19  H    3.202882   4.926479   4.547936   5.477993   5.215412
    20  H    4.609422   6.654303   6.171257   7.139181   6.998936
    21  H    3.443279   6.168483   6.022974   6.437974   6.407650
    22  C    3.689626   5.224549   4.599409   5.441672   5.980019
    23  H    4.687346   5.900244   5.106075   6.283676   6.626278
    24  H    3.189792   4.166968   3.503803   4.503693   4.927919
    25  H    4.004990   5.549104   4.972208   5.540068   6.422467
    26  C    3.658607   5.514435   6.261099   4.360645   5.951136
    27  O    4.145739   5.931859   6.835517   4.819908   6.154434
    28  N    3.280086   5.811512   6.344733   4.827098   6.348105
    29  H    4.003216   5.189744   5.906926   3.920048   5.742826
    30  C    3.631600   5.899846   6.181572   4.970817   6.644775
    31  H    4.655286   6.985115   7.227598   6.036921   7.744789
    32  H    3.151477   5.657887   5.768980   4.949979   6.426782
    33  H    3.878371   5.447090   5.726025   4.421068   6.275271
    34  C    3.547910   6.649955   7.165071   5.836742   7.054620
    35  H    4.643144   7.698273   8.209469   6.821049   8.120788
    36  H    3.494800   6.545392   7.193091   5.778010   6.781202
    37  H    3.250812   6.606983   6.958321   5.971183   7.051855
    38  C    3.501490   4.714965   5.340929   5.026620   4.178232
    39  O    4.012804   4.186641   4.902851   4.649865   3.419013
    40  N    3.292954   5.208749   5.954564   5.167313   4.818592
    41  H    3.759685   5.238071   5.641870   5.689187   4.790714
    42  C    3.699373   5.206261   6.174321   4.870827   4.796394
    43  H    3.989190   4.656624   5.718938   4.398909   4.090991
    44  H    4.708670   6.270656   7.263170   5.897718   5.807858
    45  H    3.223846   5.060557   6.022339   4.477983   4.870999
    46  C    3.526304   6.218467   6.820466   6.102506   6.002293
    47  H    3.450641   6.238323   6.651847   6.292333   6.084910
    48  H    3.227902   6.247459   6.870964   5.914106   6.187665
    49  H    4.622269   7.210078   7.853218   7.090262   6.905570
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098666   0.000000
     8  H    1.101853   1.794654   0.000000
     9  H    1.102337   1.797729   1.788940   0.000000
    10  C    2.492830   3.418425   2.738142   2.797376   0.000000
    11  H    2.630619   3.647036   2.417828   2.958647   1.101115
    12  H    3.394641   4.180251   3.623337   3.828525   1.097908
    13  H    2.920194   3.877666   3.322394   2.802090   1.102711
    14  C    7.044639   7.497171   6.489946   7.922262   5.934512
    15  O    7.517308   7.891485   6.841698   8.425068   6.738858
    16  N    6.714045   7.068014   6.349712   7.644466   5.577309
    17  H    7.112947   7.708973   6.556486   7.883615   5.704628
    18  C    6.951678   7.080742   6.648416   7.977119   6.237383
    19  H    6.305310   6.343783   6.146854   7.343822   5.714682
    20  H    7.981382   8.081652   7.724574   9.003808   7.180324
    21  H    7.001311   7.072255   6.570457   8.052903   6.593868
    22  C    6.549871   6.993452   6.373046   7.385633   4.993067
    23  H    7.466453   7.854007   7.370808   8.299414   5.871059
    24  H    5.683491   6.078259   5.639069   6.525701   4.199957
    25  H    6.643737   7.240400   6.412878   7.371775   4.811595
    26  C    3.906353   4.676476   2.893485   4.223172   4.004870
    27  O    4.015469   4.574569   2.939968   4.305792   4.791501
    28  N    4.712960   5.456839   3.749177   5.207760   4.312457
    29  H    3.571735   4.512328   2.750839   3.678530   3.339039
    30  C    5.235614   6.104022   4.467303   5.677378   4.081812
    31  H    6.265280   7.152282   5.468131   6.631214   5.070150
    32  H    5.436688   6.219805   4.755952   6.032122   4.120726
    33  H    4.766035   5.741408   4.144351   5.059115   3.333359
    34  C    5.659063   6.211027   4.640657   6.287377   5.526014
    35  H    6.588931   7.176828   5.543563   7.122246   6.410866
    36  H    5.392261   5.783549   4.340174   6.065558   5.736347
    37  H    6.021994   6.533359   5.095424   6.763289   5.644076
    38  C    4.810498   4.234223   4.578183   5.845555   6.067583
    39  O    4.387030   3.602736   4.422030   5.355389   5.892779
    40  N    4.726554   4.319969   4.201909   5.709616   6.043867
    41  H    5.686518   5.179997   5.454238   6.757384   6.624162
    42  C    4.049502   3.655431   3.426374   4.870584   5.768338
    43  H    3.467330   2.846886   3.102569   4.241688   5.493758
    44  H    4.953265   4.527896   4.296137   5.659684   6.775035
    45  H    3.657584   3.568823   2.805690   4.431154   5.148147
    46  C    5.781341   5.562241   5.089406   6.760864   6.727718
    47  H    6.217208   6.020257   5.613188   7.258726   6.861126
    48  H    5.567817   5.545400   4.726116   6.484612   6.340514
    49  H    6.643976   6.347214   5.935274   7.577230   7.759899
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795948   0.000000
    13  H    1.789544   1.797941   0.000000
    14  C    5.494079   5.386913   6.904860   0.000000
    15  O    6.189558   6.329334   7.741089   1.242832   0.000000
    16  N    5.383783   4.893781   6.573548   1.360682   2.315078
    17  H    5.209036   5.132383   6.572526   1.107919   2.057495
    18  C    6.146683   5.620553   7.289102   2.467392   2.860132
    19  H    5.783724   5.108541   6.757957   3.269546   3.772354
    20  H    7.147611   6.478217   8.202447   3.075392   3.414053
    21  H    6.369611   6.130642   7.680919   2.573694   2.474250
    22  C    5.010120   4.108126   5.874221   2.466893   3.636093
    23  H    5.998794   4.907966   6.692937   3.179183   4.279504
    24  H    4.388655   3.305373   5.098199   3.192909   4.277702
    25  H    4.722604   3.925530   5.590576   2.552357   3.794569
    26  C    2.957900   4.638518   4.551364   5.632917   5.767069
    27  O    3.852925   5.532003   5.321790   6.416329   6.374506
    28  N    3.263799   4.643502   5.012125   4.444584   4.547667
    29  H    2.296504   4.068036   3.684213   6.050817   6.383502
    30  C    3.102204   4.154509   4.704206   3.990813   4.402593
    31  H    4.091205   5.115230   5.583750   4.390439   4.694531
    32  H    3.317463   3.932889   4.889976   2.944517   3.512571
    33  H    2.375137   3.482038   3.785815   4.696806   5.284378
    34  C    4.550495   5.759406   6.334893   4.141635   3.843046
    35  H    5.380916   6.660419   7.134918   4.769717   4.351360
    36  H    4.820811   6.077932   6.576028   4.714734   4.303187
    37  H    4.771483   5.672711   6.544168   3.106453   2.744256
    38  C    6.006764   6.232779   7.033632   6.163201   6.064323
    39  O    6.013851   6.128047   6.754455   7.004832   7.062110
    40  N    5.743070   6.332422   7.007713   5.913363   5.649504
    41  H    6.581767   6.619981   7.643498   5.828314   5.677170
    42  C    5.384240   6.298442   6.598873   6.683612   6.474503
    43  H    5.282703   6.093219   6.236864   7.278936   7.219858
    44  H    6.328631   7.351201   7.560204   7.461992   7.108318
    45  H    4.602780   5.724589   5.964761   6.161132   5.994472
    46  C    6.268445   6.906083   7.745785   5.264814   4.730676
    47  H    6.481145   6.865310   7.930375   4.663649   4.127378
    48  H    5.728932   6.562182   7.333732   4.824627   4.264531
    49  H    7.273776   7.984082   8.753518   6.149252   5.466498
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056842   0.000000
    18  C    1.464937   3.416382   0.000000
    19  H    2.098746   4.094479   1.101382   0.000000
    20  H    2.121861   3.979699   1.102792   1.791904   0.000000
    21  H    2.102335   3.653031   1.097663   1.796477   1.797085
    22  C    1.462791   2.562935   2.491311   2.616381   2.929633
    23  H    2.114407   3.313364   2.786976   2.924053   2.806353
    24  H    2.108193   3.345010   2.745453   2.415891   3.348430
    25  H    2.105083   2.158558   3.419333   3.640895   3.880974
    26  C    6.107712   5.439270   6.800203   6.760064   7.872146
    27  O    6.873089   6.376264   7.366602   7.284609   8.454162
    28  N    5.102311   4.204731   5.919654   6.064254   6.943396
    29  H    6.407108   5.725522   7.199240   7.071127   8.259116
    30  C    4.664882   3.421933   5.771829   5.981022   6.707727
    31  H    5.271411   3.675157   6.460269   6.803360   7.320977
    32  H    3.593366   2.372011   4.770322   5.046264   5.663915
    33  H    5.143707   4.074550   6.264718   6.318972   7.206177
    34  C    5.000006   4.138081   5.640753   5.962554   6.614847
    35  H    5.795574   4.651508   6.502624   6.926399   7.413170
    36  H    5.415968   4.913642   5.799318   6.016917   6.804281
    37  H    4.051267   3.211708   4.711869   5.163119   5.631881
    38  C    5.688962   6.938292   4.925174   4.337914   5.755050
    39  O    6.397854   7.699502   5.680871   4.913323   6.491111
    40  N    5.740824   6.626753   5.194964   4.839030   6.120927
    41  H    5.274711   6.719354   4.287973   3.751743   4.987097
    42  C    6.631345   7.221059   6.326197   5.952054   7.327532
    43  H    7.069260   7.776392   6.749833   6.213134   7.745040
    44  H    7.514876   8.018728   7.168696   6.868686   8.136822
    45  H    6.255386   6.566882   6.191768   5.913470   7.249768
    46  C    5.337064   6.055378   4.800387   4.757134   5.668986
    47  H    4.618513   5.578063   3.896369   3.922720   4.680058
    48  H    5.129613   5.481790   4.893328   4.976674   5.835031
    49  H    6.295271   6.963001   5.681918   5.693633   6.459063
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390929   0.000000
    23  H    3.821946   1.102418   0.000000
    24  H    3.618138   1.102686   1.789941   0.000000
    25  H    4.181916   1.099006   1.797333   1.794271   0.000000
    26  C    6.557511   6.395910   7.497526   6.110922   6.097561
    27  O    6.982026   7.299668   8.396897   6.962658   7.123016
    28  N    5.672874   5.513452   6.605392   5.433618   5.163742
    29  H    7.111769   6.444506   7.525461   6.077069   6.053484
    30  C    5.757619   4.807438   5.856073   4.859350   4.214556
    31  H    6.414180   5.457222   6.441690   5.674004   4.744489
    32  H    4.839038   3.767389   4.807090   3.933438   3.206786
    33  H    6.383853   4.994031   6.021779   4.880890   4.342629
    34  C    5.154969   5.773475   6.817580   5.850015   5.565752
    35  H    5.983426   6.589937   7.603969   6.773242   6.280348
    36  H    5.186569   6.270690   7.309657   6.223833   6.222949
    37  H    4.230533   4.957351   5.951050   5.169604   4.810972
    38  C    4.454110   6.352607   7.037914   5.752705   7.051665
    39  O    5.392388   6.827721   7.481032   6.065297   7.522443
    40  N    4.553137   6.548507   7.365270   6.070372   7.095158
    41  H    3.773668   6.047529   6.613309   5.554220   6.856451
    42  C    5.752336   7.303451   8.219580   6.757684   7.690431
    43  H    6.312408   7.561275   8.449415   6.876612   7.968725
    44  H    6.487288   8.284319   9.199499   7.794519   8.659643
    45  H    5.660314   6.888611   7.879774   6.399938   7.133085
    46  C    3.933596   6.406430   7.209964   6.170696   6.921547
    47  H    2.973970   5.769300   6.469787   5.614116   6.392672
    48  H    4.058015   6.194214   7.091873   6.035777   6.546487
    49  H    4.732679   7.434282   8.203325   7.239369   7.956278
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242717   0.000000
    28  N    1.360778   2.314713   0.000000
    29  H    1.107872   2.057531   2.057141   0.000000
    30  C    2.465315   3.633989   1.463225   2.562029   0.000000
    31  H    3.125533   4.214864   2.116811   3.248240   1.103043
    32  H    3.237915   4.331265   2.106934   3.401766   1.101429
    33  H    2.555209   3.797691   2.103290   2.164769   1.098665
    34  C    2.462095   2.850535   1.464904   3.413227   2.496579
    35  H    3.021948   3.321208   2.123295   3.939279   2.945337
    36  H    2.583870   2.499003   2.099098   3.657938   3.390060
    37  H    3.293803   3.808476   2.099061   4.117155   2.619619
    38  C    6.019449   5.769800   6.055365   6.560419   6.891766
    39  O    6.404718   6.142051   6.635626   6.780895   7.428324
    40  N    5.126562   4.733766   5.180470   5.827722   6.210250
    41  H    6.666997   6.525925   6.495178   7.240770   7.211609
    42  C    4.451853   3.802183   4.865560   5.122083   6.066198
    43  H    4.818999   4.209326   5.405960   5.286520   6.514613
    44  H    5.016498   4.157506   5.474502   5.773467   6.785821
    45  H    3.362249   2.733369   3.817261   4.086557   5.070472
    46  C    5.240568   4.914053   4.981435   6.108543   6.001836
    47  H    5.790406   5.663692   5.331252   6.599949   6.136371
    48  H    4.349761   4.063238   4.013511   5.293824   5.102503
    49  H    5.990806   5.499164   5.783319   6.922951   6.891427
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787742   0.000000
    33  H    1.799081   1.794045   0.000000
    34  C    2.816154   2.730513   3.419801   0.000000
    35  H    2.848606   3.336058   3.903078   1.103484   0.000000
    36  H    3.844395   3.603431   4.170391   1.097161   1.796115
    37  H    2.958247   2.395948   3.633117   1.099956   1.791192
    38  C    7.853998   6.534837   7.181817   5.833498   6.832698
    39  O    8.454104   7.131123   7.546798   6.643293   7.671907
    40  N    7.094289   5.989888   6.609180   4.805758   5.732768
    41  H    8.133804   6.704645   7.588444   6.136475   7.118955
    42  C    6.939142   6.103649   6.347323   4.693236   5.550611
    43  H    7.460098   6.571608   6.622849   5.481939   6.381534
    44  H    7.567314   6.897719   7.131819   5.131701   5.839420
    45  H    5.915638   5.217059   5.358088   3.746025   4.599972
    46  C    6.737370   5.706878   6.623563   4.221790   5.029664
    47  H    6.869110   5.649665   6.788827   4.560803   5.395805
    48  H    5.768671   4.906842   5.792867   3.155750   3.936248
    49  H    7.549036   6.654320   7.559048   4.879898   5.533492
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796605   0.000000
    38  C    5.132629   5.679883   0.000000
    39  O    5.962163   6.578156   1.242711   0.000000
    40  N    3.976305   4.796320   1.360692   2.316417   0.000000
    41  H    5.520896   5.792341   1.108805   2.056651   2.057581
    42  C    3.767974   5.008997   2.467677   2.863998   1.464153
    43  H    4.641056   5.812256   2.553880   2.431248   2.106794
    44  H    4.095387   5.537702   3.183291   3.603685   2.115283
    45  H    2.867524   4.192757   3.189551   3.636604   2.107964
    46  C    3.412979   4.056339   2.468148   3.638460   1.465018
    47  H    3.958449   4.128020   2.570007   3.805201   2.102674
    48  H    2.325513   3.091069   3.261620   4.333836   2.098665
    49  H    3.979524   4.788100   3.088770   4.209093   2.121073
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417059   0.000000
    43  H    3.645632   1.098693   0.000000
    44  H    4.046434   1.102616   1.796567   0.000000
    45  H    4.047067   1.101759   1.794954   1.788694   0.000000
    46  C    2.563805   2.491732   3.419725   2.795076   2.735446
    47  H    2.206502   3.392506   4.182309   3.828334   3.614176
    48  H    3.478031   2.617393   3.637444   2.939880   2.403666
    49  H    3.138626   2.926428   3.883150   2.809086   3.329807
                   46         47         48         49
    46  C    0.000000
    47  H    1.097784   0.000000
    48  H    1.100867   1.796349   0.000000
    49  H    1.102764   1.798096   1.790707   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2180286      0.1880583      0.1835508
 Leave Link  202 at Mon Nov 14 00:16:06 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       2      6     10     14     18     22     26     30     34     38
 Centers:      42     46      5      7      8      9     11     12     13     17
 Centers:      19     20     21     23     24     25     29     31     32     33
 Centers:      35     36     37     41     43     44     45     47     48     49
 Centers:       4     16     28     40      3     15     27     39
 6-31+g(d)
 ****
 Centers:       1
 LANL2DZ
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1         55            9
                                      F and up 
                                                     0      636.7840130       -0.08051090    0.00000000
                                                     1      147.8912446      -33.43114480    0.00000000
                                                     2       42.5724911     -193.92708870    0.00000000
                                                     2       11.2427883      -56.83014330    0.00000000
                                                     2        3.5689707      -18.65049750    0.00000000
                                                     2        1.3107462       -2.54113990    0.00000000
                                      S - F
                                                     0       40.8648070        3.04999340    0.00000000
                                                     1       10.9329329       37.96775140    0.00000000
                                                     2        2.2294903       45.23406730    0.00000000
                                      P - F
                                                     0      118.8598171        4.64069510    0.00000000
                                                     1       30.6847958       62.03135330    0.00000000
                                                     2       10.1762999      129.59094810    0.00000000
                                                     2        1.8272850       31.51868250    0.00000000
                                      D - F
                                                     0       16.0081704        7.30544730    0.00000000
                                                     1        2.6488291       33.27857600    0.00000000
                                                     2       14.5555672       53.12969480    0.00000000
                                                     2        0.6703604       16.21188780    0.00000000
    2          6
                                   No pseudopotential on this center.
    3          8
                                   No pseudopotential on this center.
    4          7
                                   No pseudopotential on this center.
    5          1
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          1
                                   No pseudopotential on this center.
    8          1
                                   No pseudopotential on this center.
    9          1
                                   No pseudopotential on this center.
   10          6
                                   No pseudopotential on this center.
   11          1
                                   No pseudopotential on this center.
   12          1
                                   No pseudopotential on this center.
   13          1
                                   No pseudopotential on this center.
   14          6
                                   No pseudopotential on this center.
   15          8
                                   No pseudopotential on this center.
   16          7
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          6
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          6
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          6
                                   No pseudopotential on this center.
   27          8
                                   No pseudopotential on this center.
   28          7
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          6
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          6
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
   38          6
                                   No pseudopotential on this center.
   39          8
                                   No pseudopotential on this center.
   40          7
                                   No pseudopotential on this center.
   41          1
                                   No pseudopotential on this center.
   42          6
                                   No pseudopotential on this center.
   43          1
                                   No pseudopotential on this center.
   44          1
                                   No pseudopotential on this center.
   45          1
                                   No pseudopotential on this center.
   46          6
                                   No pseudopotential on this center.
   47          1
                                   No pseudopotential on this center.
   48          1
                                   No pseudopotential on this center.
   49          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  1 primitive shells out of 366 were deleted.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.8898354158 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841365438 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.7056988720 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4046
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.58D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     226
 GePol: Fraction of low-weight points (<1% of avg)   =       5.59%
 GePol: Cavity surface area                          =    466.655 Ang**2
 GePol: Cavity volume                                =    458.509 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039527112 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.7017461608 Hartrees.
 Leave Link  301 at Mon Nov 14 00:16:06 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37544.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:16:08 2016, MaxMem=  2952790016 cpu:        14.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:16:08 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50853274149    
 JPrj=0 DoOrth=F DoCkMO=F.
 Leave Link  401 at Mon Nov 14 00:16:14 2016, MaxMem=  2952790016 cpu:        74.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49110348.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.07D-14 for   1924.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.21D-14 for   2015    824.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   2470.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.21D-11 for   1930   1922.
 E= -1012.90751736857    
 DIIS: error= 2.10D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1012.90751736857     IErMin= 1 ErrMin= 2.10D-02
 ErrMax= 2.10D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.75D-01 BMatP= 5.75D-01
 IDIUse=3 WtCom= 7.90D-01 WtEn= 2.10D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.182 Goal=   None    Shift=    0.000
 GapD=    0.182 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=1.16D-02 MaxDP=6.31D-01              OVMax= 4.34D-01

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.78D-03    CP:  9.65D-01
 E= -1012.72492337186     Delta-E=        0.182593996705 Rises=F Damp=T
 DIIS: error= 2.15D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 1 EnMin= -1012.90751736857     IErMin= 1 ErrMin= 2.10D-02
 ErrMax= 2.15D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-01 BMatP= 5.75D-01
 IDIUse=3 WtCom= 7.85D-01 WtEn= 2.15D-01
 Coeff-Com:  0.421D+00 0.579D+00
 Coeff-En:   0.594D+00 0.406D+00
 Coeff:      0.458D+00 0.542D+00
 Gap=     0.194 Goal=   None    Shift=    0.000
 RMSDP=4.61D-03 MaxDP=2.44D-01 DE= 1.83D-01 OVMax= 3.08D-01

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.34D-03    CP:  9.20D-01  7.61D-01
 E= -1013.30608976531     Delta-E=       -0.581166393453 Rises=F Damp=F
 DIIS: error= 1.20D-02 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1013.30608976531     IErMin= 3 ErrMin= 1.20D-02
 ErrMax= 1.20D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-01 BMatP= 3.34D-01
 IDIUse=3 WtCom= 8.80D-01 WtEn= 1.20D-01
 Coeff-Com:  0.215D+00 0.381D+00 0.404D+00
 Coeff-En:   0.222D-02 0.000D+00 0.998D+00
 Coeff:      0.190D+00 0.336D+00 0.475D+00
 Gap=     0.198 Goal=   None    Shift=    0.000
 RMSDP=1.64D-03 MaxDP=9.55D-02 DE=-5.81D-01 OVMax= 1.12D-01

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.27D-03    CP:  9.34D-01  7.23D-01  7.71D-01
 E= -1013.42588748990     Delta-E=       -0.119797724590 Rises=F Damp=F
 DIIS: error= 6.99D-03 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.42588748990     IErMin= 4 ErrMin= 6.99D-03
 ErrMax= 6.99D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-02 BMatP= 1.40D-01
 IDIUse=3 WtCom= 9.30D-01 WtEn= 6.99D-02
 Coeff-Com:  0.820D-01 0.139D+00 0.307D+00 0.472D+00
 Coeff-En:   0.000D+00 0.000D+00 0.175D+00 0.825D+00
 Coeff:      0.762D-01 0.129D+00 0.298D+00 0.497D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=6.46D-04 MaxDP=3.09D-02 DE=-1.20D-01 OVMax= 4.78D-02

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.36D-04    CP:  9.34D-01  6.58D-01  7.56D-01  7.72D-01
 E= -1013.44752300590     Delta-E=       -0.021635515991 Rises=F Damp=F
 DIIS: error= 2.50D-03 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.44752300590     IErMin= 5 ErrMin= 2.50D-03
 ErrMax= 2.50D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-03 BMatP= 2.51D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.50D-02
 Coeff-Com:  0.185D-01 0.396D-01 0.132D+00 0.329D+00 0.481D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.959D-01 0.904D+00
 Coeff:      0.180D-01 0.386D-01 0.129D+00 0.323D+00 0.491D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.38D-04 MaxDP=7.81D-03 DE=-2.16D-02 OVMax= 1.29D-02

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.87D-05    CP:  9.34D-01  6.57D-01  7.41D-01  8.22D-01  9.46D-01
 E= -1013.45001405999     Delta-E=       -0.002491054091 Rises=F Damp=F
 DIIS: error= 3.64D-04 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45001405999     IErMin= 6 ErrMin= 3.64D-04
 ErrMax= 3.64D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.55D-05 BMatP= 2.84D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.64D-03
 Coeff-Com: -0.734D-03 0.198D-02 0.181D-01 0.726D-01 0.208D+00 0.700D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.731D-03 0.197D-02 0.181D-01 0.723D-01 0.208D+00 0.701D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=5.23D-05 MaxDP=3.85D-03 DE=-2.49D-03 OVMax= 1.85D-03

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.20D-05    CP:  9.34D-01  6.62D-01  7.46D-01  8.16D-01  9.18D-01
                    CP:  8.14D-01
 E= -1013.45006300640     Delta-E=       -0.000048946416 Rises=F Damp=F
 DIIS: error= 1.31D-04 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45006300640     IErMin= 7 ErrMin= 1.31D-04
 ErrMax= 1.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-05 BMatP= 7.55D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.31D-03
 Coeff-Com: -0.822D-03 0.262D-04 0.758D-02 0.353D-01 0.121D+00 0.469D+00
 Coeff-Com:  0.368D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.113D+00
 Coeff-En:   0.887D+00
 Coeff:     -0.821D-03 0.261D-04 0.757D-02 0.353D-01 0.120D+00 0.469D+00
 Coeff:      0.369D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=1.45D-05 MaxDP=5.78D-04 DE=-4.89D-05 OVMax= 1.14D-03

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.48D-06    CP:  9.34D-01  6.62D-01  7.48D-01  8.16D-01  9.12D-01
                    CP:  8.03D-01  5.41D-01
 E= -1013.45007604127     Delta-E=       -0.000013034866 Rises=F Damp=F
 DIIS: error= 5.59D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45007604127     IErMin= 8 ErrMin= 5.59D-05
 ErrMax= 5.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-06 BMatP= 1.65D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.366D-03-0.250D-03 0.344D-02 0.165D-01 0.623D-01 0.258D+00
 Coeff-Com:  0.276D+00 0.384D+00
 Coeff:     -0.366D-03-0.250D-03 0.344D-02 0.165D-01 0.623D-01 0.258D+00
 Coeff:      0.276D+00 0.384D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=5.05D-06 MaxDP=2.88D-04 DE=-1.30D-05 OVMax= 5.08D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.20D-06    CP:  9.34D-01  6.62D-01  7.48D-01  8.16D-01  9.11D-01
                    CP:  7.94D-01  5.59D-01  6.06D-01
 E= -1013.45007818396     Delta-E=       -0.000002142695 Rises=F Damp=F
 DIIS: error= 1.38D-05 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45007818396     IErMin= 9 ErrMin= 1.38D-05
 ErrMax= 1.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-07 BMatP= 2.59D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.936D-05-0.236D-03 0.763D-03 0.339D-02 0.148D-01 0.649D-01
 Coeff-Com:  0.849D-01 0.208D+00 0.623D+00
 Coeff:     -0.936D-05-0.236D-03 0.763D-03 0.339D-02 0.148D-01 0.649D-01
 Coeff:      0.849D-01 0.208D+00 0.623D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=1.36D-06 MaxDP=6.08D-05 DE=-2.14D-06 OVMax= 5.62D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.60D-07    CP:  9.34D-01  6.62D-01  7.48D-01  8.16D-01  9.12D-01
                    CP:  7.98D-01  5.57D-01  6.40D-01  8.28D-01
 E= -1013.45007830510     Delta-E=       -0.000000121134 Rises=F Damp=F
 DIIS: error= 1.66D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45007830510     IErMin=10 ErrMin= 1.66D-06
 ErrMax= 1.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-09 BMatP= 1.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.344D-04-0.710D-04 0.127D-03 0.389D-03 0.192D-02 0.897D-02
 Coeff-Com:  0.125D-01 0.435D-01 0.189D+00 0.743D+00
 Coeff:      0.344D-04-0.710D-04 0.127D-03 0.389D-03 0.192D-02 0.897D-02
 Coeff:      0.125D-01 0.435D-01 0.189D+00 0.743D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=3.53D-07 MaxDP=3.25D-05 DE=-1.21D-07 OVMax= 1.08D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.66D-07    CP:  9.34D-01  6.62D-01  7.48D-01  8.16D-01  9.12D-01
                    CP:  7.98D-01  5.57D-01  6.39D-01  8.29D-01  8.12D-01
 E= -1013.45007830745     Delta-E=       -0.000000002353 Rises=F Damp=F
 DIIS: error= 8.60D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -1013.45007830745     IErMin=11 ErrMin= 8.60D-07
 ErrMax= 8.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-10 BMatP= 2.67D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.205D-04-0.323D-04 0.494D-04 0.115D-03 0.572D-03 0.281D-02
 Coeff-Com:  0.397D-02 0.164D-01 0.810D-01 0.396D+00 0.499D+00
 Coeff:      0.205D-04-0.323D-04 0.494D-04 0.115D-03 0.572D-03 0.281D-02
 Coeff:      0.397D-02 0.164D-01 0.810D-01 0.396D+00 0.499D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=5.92D-08 MaxDP=3.86D-06 DE=-2.35D-09 OVMax= 5.27D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.21D-08    CP:  9.34D-01  6.62D-01  7.48D-01  8.16D-01  9.12D-01
                    CP:  7.98D-01  5.57D-01  6.40D-01  8.32D-01  8.27D-01
                    CP:  8.81D-01
 E= -1013.45007830756     Delta-E=       -0.000000000104 Rises=F Damp=F
 DIIS: error= 5.73D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -1013.45007830756     IErMin=12 ErrMin= 5.73D-07
 ErrMax= 5.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-10 BMatP= 2.60D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.912D-05-0.109D-04 0.142D-04 0.158D-04 0.614D-04 0.384D-03
 Coeff-Com:  0.521D-03 0.364D-02 0.229D-01 0.146D+00 0.385D+00 0.441D+00
 Coeff:      0.912D-05-0.109D-04 0.142D-04 0.158D-04 0.614D-04 0.384D-03
 Coeff:      0.521D-03 0.364D-02 0.229D-01 0.146D+00 0.385D+00 0.441D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=3.30D-08 MaxDP=1.80D-06 DE=-1.04D-10 OVMax= 3.02D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.91D-08    CP:  9.34D-01  6.62D-01  7.48D-01  8.16D-01  9.12D-01
                    CP:  7.98D-01  5.57D-01  6.40D-01  8.34D-01  8.35D-01
                    CP:  8.88D-01  5.26D-01
 E= -1013.45007830771     Delta-E=       -0.000000000152 Rises=F Damp=F
 DIIS: error= 1.19D-07 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -1013.45007830771     IErMin=13 ErrMin= 1.19D-07
 ErrMax= 1.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-11 BMatP= 1.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.465D-05-0.476D-05 0.563D-05-0.186D-06-0.170D-04-0.225D-04
 Coeff-Com: -0.538D-04 0.848D-03 0.780D-02 0.632D-01 0.231D+00 0.328D+00
 Coeff-Com:  0.369D+00
 Coeff:      0.465D-05-0.476D-05 0.563D-05-0.186D-06-0.170D-04-0.225D-04
 Coeff:     -0.538D-04 0.848D-03 0.780D-02 0.632D-01 0.231D+00 0.328D+00
 Coeff:      0.369D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=1.13D-08 MaxDP=6.75D-07 DE=-1.52D-10 OVMax= 8.43D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.95D-09    CP:  9.34D-01  6.62D-01  7.48D-01  8.16D-01  9.12D-01
                    CP:  7.98D-01  5.57D-01  6.40D-01  8.34D-01  8.35D-01
                    CP:  8.86D-01  5.95D-01  6.30D-01
 E= -1013.45007830767     Delta-E=        0.000000000035 Rises=F Damp=F
 DIIS: error= 3.93D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -1013.45007830771     IErMin=14 ErrMin= 3.93D-08
 ErrMax= 3.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.66D-13 BMatP= 1.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.142D-05-0.130D-05 0.158D-05-0.217D-05-0.182D-04-0.668D-04
 Coeff-Com: -0.107D-03-0.704D-04 0.918D-03 0.133D-01 0.723D-01 0.120D+00
 Coeff-Com:  0.203D+00 0.591D+00
 Coeff:      0.142D-05-0.130D-05 0.158D-05-0.217D-05-0.182D-04-0.668D-04
 Coeff:     -0.107D-03-0.704D-04 0.918D-03 0.133D-01 0.723D-01 0.120D+00
 Coeff:      0.203D+00 0.591D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=3.30D-09 MaxDP=1.48D-07 DE= 3.55D-11 OVMax= 1.68D-07

 Error on total polarization charges =  0.04257
 SCF Done:  E(RB97D) =  -1013.45007831     A.U. after   14 cycles
            NFock= 14  Conv=0.33D-08     -V/T= 2.0213
 KE= 9.923593209205D+02 PE=-6.026717241099D+03 EE= 2.173206095710D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.48
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:18:51 2016, MaxMem=  2952790016 cpu:      1809.6
 (Enter /mnt/data/applications/G09/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Alpha  occ. eigenvalues --  -18.75095 -18.75021 -18.74993 -18.74895 -14.05584
 Alpha  occ. eigenvalues --  -14.05505 -14.05436 -14.05381 -10.00614 -10.00548
 Alpha  occ. eigenvalues --  -10.00488 -10.00482  -9.94142  -9.94086  -9.94062
 Alpha  occ. eigenvalues --   -9.94016  -9.93902  -9.93838  -9.93644  -9.93502
 Alpha  occ. eigenvalues --   -0.95077  -0.94992  -0.94936  -0.94858  -0.92615
 Alpha  occ. eigenvalues --   -0.86535  -0.86456  -0.86405  -0.86335  -0.66382
 Alpha  occ. eigenvalues --   -0.66334  -0.66207  -0.66082  -0.64043  -0.63967
 Alpha  occ. eigenvalues --   -0.63962  -0.63874  -0.51485  -0.51354  -0.51146
 Alpha  occ. eigenvalues --   -0.51060  -0.47158  -0.46913  -0.46740  -0.46102
 Alpha  occ. eigenvalues --   -0.45995  -0.45971  -0.45901  -0.42880  -0.41884
 Alpha  occ. eigenvalues --   -0.41821  -0.41713  -0.41686  -0.41569  -0.41400
 Alpha  occ. eigenvalues --   -0.41366  -0.37139  -0.36722  -0.36487  -0.36261
 Alpha  occ. eigenvalues --   -0.36117  -0.35934  -0.35865  -0.35586  -0.35546
 Alpha  occ. eigenvalues --   -0.35414  -0.35372  -0.35305  -0.34312  -0.34215
 Alpha  occ. eigenvalues --   -0.34002  -0.33851  -0.33587  -0.33407  -0.33350
 Alpha  occ. eigenvalues --   -0.33056  -0.22290  -0.22131  -0.22045  -0.21886
 Alpha  occ. eigenvalues --   -0.21767  -0.21654  -0.21591  -0.21351
 Alpha virt. eigenvalues --   -0.02624  -0.02597  -0.02392  -0.02329  -0.01654
 Alpha virt. eigenvalues --   -0.00667  -0.00532  -0.00384   0.01994   0.02184
 Alpha virt. eigenvalues --    0.02354   0.02456   0.02843   0.03361   0.04080
 Alpha virt. eigenvalues --    0.04520   0.04675   0.04778   0.05058   0.05225
 Alpha virt. eigenvalues --    0.05365   0.05866   0.06076   0.06332   0.06589
 Alpha virt. eigenvalues --    0.06808   0.06990   0.07385   0.07762   0.08146
 Alpha virt. eigenvalues --    0.08411   0.08654   0.08910   0.09474   0.09784
 Alpha virt. eigenvalues --    0.10212   0.10299   0.10690   0.11169   0.11282
 Alpha virt. eigenvalues --    0.11534   0.11674   0.11846   0.11895   0.12043
 Alpha virt. eigenvalues --    0.12221   0.12463   0.12649   0.12966   0.13537
 Alpha virt. eigenvalues --    0.14008   0.14572   0.14722   0.15172   0.15385
 Alpha virt. eigenvalues --    0.15498   0.16099   0.16149   0.16521   0.17098
 Alpha virt. eigenvalues --    0.17554   0.17664   0.17775   0.18218   0.18409
 Alpha virt. eigenvalues --    0.18639   0.19070   0.19348   0.19459   0.19993
 Alpha virt. eigenvalues --    0.20426   0.20785   0.20946   0.21329   0.21621
 Alpha virt. eigenvalues --    0.21788   0.22157   0.22782   0.23273   0.23312
 Alpha virt. eigenvalues --    0.23548   0.23863   0.24233   0.24428   0.25122
 Alpha virt. eigenvalues --    0.25214   0.25580   0.25964   0.26090   0.26617
 Alpha virt. eigenvalues --    0.26936   0.27358   0.27451   0.28248   0.28409
 Alpha virt. eigenvalues --    0.28560   0.28839   0.29073   0.29665   0.29909
 Alpha virt. eigenvalues --    0.30114   0.30622   0.31054   0.31452   0.31788
 Alpha virt. eigenvalues --    0.32113   0.32842   0.33197   0.33669   0.34869
 Alpha virt. eigenvalues --    0.35092   0.35189   0.35473   0.35880   0.36267
 Alpha virt. eigenvalues --    0.36544   0.37026   0.37098   0.37699   0.38071
 Alpha virt. eigenvalues --    0.38213   0.39068   0.39510   0.39878   0.40620
 Alpha virt. eigenvalues --    0.41781   0.43620   0.43668   0.44687   0.44969
 Alpha virt. eigenvalues --    0.46017   0.46884   0.47191   0.57836   0.60109
 Alpha virt. eigenvalues --    0.62220   0.62447   0.64659   0.65484   0.65720
 Alpha virt. eigenvalues --    0.66247   0.66986   0.67664   0.68503   0.69290
 Alpha virt. eigenvalues --    0.70154   0.71170   0.71786   0.72533   0.73059
 Alpha virt. eigenvalues --    0.73492   0.74279   0.74974   0.75662   0.76220
 Alpha virt. eigenvalues --    0.76714   0.77904   0.78495   0.78997   0.79271
 Alpha virt. eigenvalues --    0.80469   0.80860   0.81213   0.81568   0.82757
 Alpha virt. eigenvalues --    0.82879   0.83142   0.84269   0.84787   0.85912
 Alpha virt. eigenvalues --    0.87072   0.88234   0.89318   0.89896   0.90136
 Alpha virt. eigenvalues --    0.91331   0.91636   0.92345   0.93081   0.93202
 Alpha virt. eigenvalues --    0.94673   0.94961   0.95274   0.95688   0.96463
 Alpha virt. eigenvalues --    0.97362   0.97559   0.98076   0.98881   0.99739
 Alpha virt. eigenvalues --    1.01019   1.01725   1.02393   1.02814   1.03466
 Alpha virt. eigenvalues --    1.04900   1.06176   1.07362   1.07479   1.08382
 Alpha virt. eigenvalues --    1.08918   1.10428   1.11490   1.11542   1.12228
 Alpha virt. eigenvalues --    1.13788   1.14614   1.16284   1.18511   1.19195
 Alpha virt. eigenvalues --    1.19420   1.20913   1.21816   1.22579   1.22824
 Alpha virt. eigenvalues --    1.23816   1.24204   1.24996   1.25906   1.27013
 Alpha virt. eigenvalues --    1.27172   1.28378   1.29058   1.29420   1.29820
 Alpha virt. eigenvalues --    1.30376   1.30681   1.31443   1.32901   1.33007
 Alpha virt. eigenvalues --    1.34010   1.35039   1.35218   1.35702   1.36897
 Alpha virt. eigenvalues --    1.37958   1.38390   1.39317   1.41141   1.42909
 Alpha virt. eigenvalues --    1.44870   1.45081   1.47805   1.48320   1.48519
 Alpha virt. eigenvalues --    1.49209   1.49538   1.52016   1.52764   1.53750
 Alpha virt. eigenvalues --    1.54504   1.68380   1.68826   1.69823   1.70176
 Alpha virt. eigenvalues --    1.72248   1.72710   1.73958   1.74178   1.77547
 Alpha virt. eigenvalues --    1.78086   1.79579   1.80754   1.84035   1.84259
 Alpha virt. eigenvalues --    1.84501   1.84939   1.85355   1.85769   1.86705
 Alpha virt. eigenvalues --    1.87087   1.89297   1.89350   1.89489   1.89776
 Alpha virt. eigenvalues --    1.91343   1.91722   1.92048   1.92517   1.93017
 Alpha virt. eigenvalues --    1.94250   1.94903   1.96122   2.00839   2.01437
 Alpha virt. eigenvalues --    2.01650   2.01965   2.02417   2.02879   2.03379
 Alpha virt. eigenvalues --    2.03858   2.09714   2.10092   2.10346   2.11084
 Alpha virt. eigenvalues --    2.17302   2.17639   2.18165   2.18232   2.18850
 Alpha virt. eigenvalues --    2.19339   2.19658   2.19874   2.24803   2.25164
 Alpha virt. eigenvalues --    2.25367   2.26210   2.29881   2.30143   2.30835
 Alpha virt. eigenvalues --    2.31115   2.34079   2.35021   2.35100   2.35472
 Alpha virt. eigenvalues --    2.35609   2.36016   2.37085   2.37950   2.49236
 Alpha virt. eigenvalues --    2.49784   2.49931   2.50062   2.56503   2.56761
 Alpha virt. eigenvalues --    2.56904   2.57268   2.59687   2.59877   2.60690
 Alpha virt. eigenvalues --    2.61294   2.77560   2.77724   2.77931   2.78541
 Alpha virt. eigenvalues --    2.95199   2.95580   2.95695   2.95892   3.07450
 Alpha virt. eigenvalues --    3.07835   3.08028   3.08532  11.74598
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  Cs   8.813437  -0.117489  -0.000622   0.062585  -0.006480  -0.057701
     2  C   -0.117489   5.234590   0.454968  -0.002486   0.449557  -0.025365
     3  O   -0.000622   0.454968   8.263940  -0.202319  -0.042897   0.036846
     4  N    0.062585  -0.002486  -0.202319   7.652528  -0.175257   0.025218
     5  H   -0.006480   0.449557  -0.042897  -0.175257   0.562057   0.005211
     6  C   -0.057701  -0.025365   0.036846   0.025218   0.005211   5.594342
     7  H   -0.002993   0.003353   0.002161  -0.075232   0.007296   0.407783
     8  H   -0.008144   0.007218   0.000072  -0.062067  -0.000073   0.376148
     9  H    0.005172  -0.015727  -0.000837  -0.039476  -0.000099   0.396112
    10  C   -0.048931  -0.112231  -0.012512  -0.000453   0.004512  -0.117966
    11  H   -0.006988   0.010887   0.000978  -0.067409  -0.000079  -0.002980
    12  H   -0.003419  -0.007707   0.011890  -0.068048   0.000315   0.002845
    13  H    0.004529  -0.010714   0.000138  -0.029869  -0.000138  -0.005114
    14  C   -0.117879  -0.004353  -0.000450   0.003291   0.000013  -0.001716
    15  O    0.013220   0.000000   0.000004  -0.000091   0.000000  -0.000141
    16  N    0.069581  -0.001048  -0.000729   0.001205  -0.000006   0.002212
    17  H   -0.008206  -0.000028  -0.000001  -0.000010   0.000000  -0.000023
    18  C   -0.073600   0.003441  -0.000220   0.000128  -0.000113  -0.002493
    19  H   -0.005501   0.000831  -0.000058  -0.000150   0.000000  -0.000063
    20  H    0.005351   0.000002   0.000000   0.000002   0.000000   0.000009
    21  H   -0.005419  -0.000224   0.000003   0.000014   0.000000  -0.000016
    22  C   -0.070534   0.004313   0.000189  -0.001060   0.000157  -0.001042
    23  H    0.005975  -0.000131   0.000016   0.000030   0.000000   0.000029
    24  H   -0.010206   0.003093   0.000679  -0.001139   0.000003  -0.000309
    25  H   -0.004647  -0.000192   0.000000  -0.000026   0.000000  -0.000040
    26  C   -0.068410  -0.002829   0.000214   0.010113   0.000121   0.012557
    27  O    0.011383  -0.001854  -0.000009  -0.001580  -0.000001  -0.002926
    28  N    0.025740   0.009080  -0.000075  -0.006580  -0.000013  -0.005455
    29  H   -0.005556   0.000582   0.000000   0.002486   0.000000  -0.000373
    30  C   -0.042675  -0.005565  -0.000215  -0.001910  -0.000028   0.001219
    31  H    0.003435   0.000084   0.000000  -0.000006   0.000000  -0.000120
    32  H   -0.007308  -0.000348   0.000003   0.000115   0.000000   0.000703
    33  H   -0.002165  -0.000124  -0.000002  -0.000055   0.000000  -0.000452
    34  C   -0.034530  -0.004346  -0.000132   0.004413  -0.000010  -0.002805
    35  H    0.001351   0.000017   0.000000  -0.000005   0.000000  -0.000048
    36  H    0.002030  -0.000020   0.000000   0.000010   0.000000  -0.000335
    37  H   -0.005005  -0.000095   0.000000   0.000009   0.000000   0.000236
    38  C   -0.090720  -0.011203  -0.003508   0.011924   0.001799   0.002742
    39  O    0.010690   0.000661  -0.000447   0.001295   0.000448  -0.004296
    40  N    0.047165   0.001674   0.000493  -0.006648   0.000213   0.008845
    41  H   -0.006371  -0.000478   0.000005   0.000117   0.000000  -0.000268
    42  C   -0.046922   0.012225   0.000493  -0.004131  -0.001565  -0.009507
    43  H   -0.002171  -0.000177  -0.000001   0.000018  -0.000005  -0.000156
    44  H    0.003405  -0.000086   0.000000  -0.000033   0.000000   0.001031
    45  H   -0.002801   0.000880  -0.000006  -0.000003   0.000000  -0.004909
    46  C   -0.074792  -0.005614  -0.000482   0.006192  -0.000133  -0.003108
    47  H   -0.002336  -0.000116   0.000001  -0.000004   0.000000   0.000110
    48  H   -0.004615   0.000216  -0.000001   0.000048   0.000000  -0.000679
    49  H    0.002643  -0.000004   0.000000  -0.000004   0.000000   0.000096
               7          8          9         10         11         12
     1  Cs  -0.002993  -0.008144   0.005172  -0.048931  -0.006988  -0.003419
     2  C    0.003353   0.007218  -0.015727  -0.112231   0.010887  -0.007707
     3  O    0.002161   0.000072  -0.000837  -0.012512   0.000978   0.011890
     4  N   -0.075232  -0.062067  -0.039476  -0.000453  -0.067409  -0.068048
     5  H    0.007296  -0.000073  -0.000099   0.004512  -0.000079   0.000315
     6  C    0.407783   0.376148   0.396112  -0.117966  -0.002980   0.002845
     7  H    0.453462  -0.023879  -0.020147   0.004203   0.000185  -0.000149
     8  H   -0.023879   0.486111  -0.035945  -0.001608   0.005198   0.000186
     9  H   -0.020147  -0.035945   0.474747  -0.005153  -0.001574  -0.000094
    10  C    0.004203  -0.001608  -0.005153   5.720518   0.390773   0.410149
    11  H    0.000185   0.005198  -0.001574   0.390773   0.479691  -0.025818
    12  H   -0.000149   0.000186  -0.000094   0.410149  -0.025818   0.444407
    13  H   -0.000085  -0.000801   0.002809   0.382969  -0.029298  -0.020557
    14  C   -0.000001  -0.000134   0.000010  -0.000740   0.000057  -0.000187
    15  O    0.000000   0.000000   0.000000   0.000348   0.000000   0.000000
    16  N   -0.000002   0.000028  -0.000001  -0.004279   0.000069  -0.000180
    17  H    0.000000   0.000000   0.000000   0.000062   0.000000   0.000000
    18  C   -0.000007  -0.000056   0.000007  -0.000495  -0.000107   0.000038
    19  H    0.000000   0.000000   0.000000  -0.000180   0.000000   0.000000
    20  H    0.000000   0.000000   0.000000  -0.000003   0.000000   0.000000
    21  H    0.000000   0.000000   0.000000   0.000064   0.000000   0.000000
    22  C    0.000002  -0.000113   0.000020   0.004292  -0.000662   0.000668
    23  H    0.000000   0.000000   0.000000  -0.000162   0.000000   0.000000
    24  H    0.000000   0.000000   0.000000   0.000752  -0.000002   0.000133
    25  H    0.000000   0.000000   0.000000   0.000057   0.000002   0.000003
    26  C   -0.000335   0.023945  -0.004298  -0.018037   0.013773  -0.001262
    27  O    0.000094  -0.001712   0.000550  -0.000557  -0.001074   0.000007
    28  N    0.000001  -0.005066   0.000295   0.015192  -0.000614   0.000148
    29  H    0.000010  -0.000596   0.000061  -0.005748   0.002760   0.000031
    30  C   -0.000023  -0.000265   0.000169  -0.006051  -0.004495  -0.000618
    31  H    0.000000  -0.000001   0.000000   0.000277   0.000048   0.000000
    32  H    0.000000   0.000007   0.000000  -0.000844  -0.000260   0.000008
    33  H    0.000000   0.000003   0.000001  -0.000416   0.001718   0.000010
    34  C    0.000060  -0.002597   0.000249  -0.000193  -0.002483   0.000255
    35  H    0.000000  -0.000001   0.000000   0.000085   0.000000   0.000000
    36  H    0.000000   0.000010   0.000000   0.000082   0.000001   0.000000
    37  H    0.000000   0.000003   0.000000  -0.000123   0.000000   0.000000
    38  C    0.001049  -0.002177   0.000366  -0.004477  -0.000208  -0.000077
    39  O    0.000401  -0.000115   0.000027  -0.001165   0.000003   0.000002
    40  N    0.000101  -0.000431  -0.000020   0.007704   0.000079  -0.000006
    41  H    0.000001   0.000000   0.000000   0.000018   0.000000   0.000000
    42  C   -0.001877   0.002478  -0.000426  -0.007009  -0.000451   0.000131
    43  H    0.000210  -0.000171   0.000011  -0.000162   0.000001   0.000000
    44  H    0.000001   0.000021  -0.000001   0.000104   0.000000   0.000000
    45  H    0.000003   0.000327   0.000010  -0.000711   0.000002   0.000000
    46  C   -0.000276  -0.000459   0.000083  -0.004001   0.000009  -0.000054
    47  H    0.000000   0.000000   0.000000  -0.000023   0.000000   0.000000
    48  H    0.000000   0.000001   0.000000  -0.000133   0.000000   0.000000
    49  H    0.000000   0.000000   0.000000   0.000021   0.000000   0.000000
              13         14         15         16         17         18
     1  Cs   0.004529  -0.117879   0.013220   0.069581  -0.008206  -0.073600
     2  C   -0.010714  -0.004353   0.000000  -0.001048  -0.000028   0.003441
     3  O    0.000138  -0.000450   0.000004  -0.000729  -0.000001  -0.000220
     4  N   -0.029869   0.003291  -0.000091   0.001205  -0.000010   0.000128
     5  H   -0.000138   0.000013   0.000000  -0.000006   0.000000  -0.000113
     6  C   -0.005114  -0.001716  -0.000141   0.002212  -0.000023  -0.002493
     7  H   -0.000085  -0.000001   0.000000  -0.000002   0.000000  -0.000007
     8  H   -0.000801  -0.000134   0.000000   0.000028   0.000000  -0.000056
     9  H    0.002809   0.000010   0.000000  -0.000001   0.000000   0.000007
    10  C    0.382969  -0.000740   0.000348  -0.004279   0.000062  -0.000495
    11  H   -0.029298   0.000057   0.000000   0.000069   0.000000  -0.000107
    12  H   -0.020557  -0.000187   0.000000  -0.000180   0.000000   0.000038
    13  H    0.458893   0.000021   0.000000  -0.000001   0.000000   0.000010
    14  C    0.000021   5.334215   0.482040  -0.000361   0.442224  -0.157108
    15  O    0.000000   0.482040   8.243568  -0.218357  -0.041985  -0.020877
    16  N   -0.000001  -0.000361  -0.218357   7.624810  -0.173558   0.005504
    17  H    0.000000   0.442224  -0.041985  -0.173558   0.566228   0.006013
    18  C    0.000010  -0.157108  -0.020877   0.005504   0.006013   5.760094
    19  H    0.000000  -0.003925   0.001439  -0.066944  -0.000065   0.410420
    20  H    0.000000  -0.003559  -0.000225  -0.029915  -0.000152   0.375291
    21  H    0.000000   0.000686   0.010781  -0.067215   0.000276   0.403093
    22  C    0.000013   0.002676   0.030780   0.024647   0.005801  -0.137896
    23  H    0.000000  -0.006506  -0.000960  -0.039688  -0.000138  -0.014577
    24  H    0.000000  -0.005833   0.000185  -0.056373  -0.000027   0.010650
    25  H    0.000000   0.004344   0.002144  -0.074791   0.007378   0.003384
    26  C   -0.000849  -0.003450  -0.000551   0.003810   0.000202  -0.002410
    27  O    0.000038   0.000066   0.000003  -0.000029  -0.000002  -0.000050
    28  N    0.000055   0.015285   0.001208  -0.007312  -0.000042   0.004221
    29  H    0.000063  -0.000093  -0.000001   0.000007   0.000000  -0.000020
    30  C   -0.000038  -0.029426  -0.008153   0.020275  -0.002568  -0.004770
    31  H    0.000000  -0.001380   0.000174   0.000019   0.000074   0.000187
    32  H    0.000001   0.007699  -0.002306  -0.001717   0.002605  -0.002652
    33  H    0.000022   0.000005  -0.000003   0.000045   0.000016   0.000031
    34  C    0.000106   0.015452  -0.006169  -0.007253   0.001730  -0.001746
    35  H    0.000000  -0.000404   0.000314  -0.000018   0.000003   0.000057
    36  H    0.000000  -0.002864   0.000280   0.000263  -0.000001   0.000190
    37  H    0.000000   0.015901   0.001612  -0.002709  -0.000429  -0.001057
    38  C    0.000062   0.003431  -0.001304   0.002083  -0.000070  -0.003843
    39  O    0.000000   0.000211   0.000015  -0.000063   0.000000  -0.000718
    40  N   -0.000007  -0.003906  -0.000507   0.001130  -0.000002  -0.000822
    41  H    0.000000  -0.000208   0.000000  -0.000127   0.000000   0.001727
    42  C    0.000013  -0.002238  -0.000370   0.002592  -0.000014  -0.001698
    43  H    0.000000  -0.000008   0.000000  -0.000003   0.000000   0.000039
    44  H    0.000000   0.000018   0.000000  -0.000002   0.000000   0.000011
    45  H    0.000000  -0.000145   0.000004   0.000041   0.000000  -0.000166
    46  C    0.000013   0.005471   0.001380  -0.002806   0.000142   0.006435
    47  H    0.000000  -0.000439  -0.000124  -0.000198   0.000000   0.001228
    48  H    0.000000  -0.000173  -0.000044   0.000035   0.000000  -0.000528
    49  H    0.000000  -0.000002  -0.000002   0.000001   0.000000   0.000069
              19         20         21         22         23         24
     1  Cs  -0.005501   0.005351  -0.005419  -0.070534   0.005975  -0.010206
     2  C    0.000831   0.000002  -0.000224   0.004313  -0.000131   0.003093
     3  O   -0.000058   0.000000   0.000003   0.000189   0.000016   0.000679
     4  N   -0.000150   0.000002   0.000014  -0.001060   0.000030  -0.001139
     5  H    0.000000   0.000000   0.000000   0.000157   0.000000   0.000003
     6  C   -0.000063   0.000009  -0.000016  -0.001042   0.000029  -0.000309
     7  H    0.000000   0.000000   0.000000   0.000002   0.000000   0.000000
     8  H    0.000000   0.000000   0.000000  -0.000113   0.000000   0.000000
     9  H    0.000000   0.000000   0.000000   0.000020   0.000000   0.000000
    10  C   -0.000180  -0.000003   0.000064   0.004292  -0.000162   0.000752
    11  H    0.000000   0.000000   0.000000  -0.000662   0.000000  -0.000002
    12  H    0.000000   0.000000   0.000000   0.000668   0.000000   0.000133
    13  H    0.000000   0.000000   0.000000   0.000013   0.000000   0.000000
    14  C   -0.003925  -0.003559   0.000686   0.002676  -0.006506  -0.005833
    15  O    0.001439  -0.000225   0.010781   0.030780  -0.000960   0.000185
    16  N   -0.066944  -0.029915  -0.067215   0.024647  -0.039688  -0.056373
    17  H   -0.000065  -0.000152   0.000276   0.005801  -0.000138  -0.000027
    18  C    0.410420   0.375291   0.403093  -0.137896  -0.014577   0.010650
    19  H    0.473284  -0.028563  -0.025748  -0.001833  -0.001650   0.005377
    20  H   -0.028563   0.459507  -0.020673  -0.006568   0.002818  -0.000781
    21  H   -0.025748  -0.020673   0.446311   0.002802  -0.000081   0.000166
    22  C   -0.001833  -0.006568   0.002802   5.564612   0.392411   0.389023
    23  H   -0.001650   0.002818  -0.000081   0.392411   0.475626  -0.036260
    24  H    0.005377  -0.000781   0.000166   0.389023  -0.036260   0.488185
    25  H    0.000194  -0.000089  -0.000150   0.407446  -0.020420  -0.024024
    26  C    0.000010   0.000001  -0.000038  -0.001673   0.000007  -0.000016
    27  O    0.000000   0.000000   0.000000   0.000237   0.000000   0.000000
    28  N    0.000009  -0.000008   0.000001  -0.003124  -0.000015   0.000129
    29  H    0.000000   0.000000   0.000000   0.000111   0.000000   0.000000
    30  C   -0.000052   0.000069  -0.000159   0.005497   0.000108  -0.000945
    31  H    0.000000   0.000000   0.000000  -0.000502   0.000000   0.000000
    32  H    0.000001   0.000000   0.000001   0.004247   0.000000  -0.000013
    33  H    0.000000   0.000000   0.000000  -0.000200   0.000000   0.000001
    34  C    0.000145  -0.000012  -0.000211   0.000125  -0.000035   0.000264
    35  H    0.000000   0.000000   0.000000  -0.000033   0.000000   0.000000
    36  H    0.000000   0.000000   0.000000   0.000120   0.000000   0.000000
    37  H    0.000002   0.000000   0.000000  -0.000332   0.000000   0.000003
    38  C   -0.000435   0.000087  -0.001038  -0.002228   0.000061  -0.000522
    39  O    0.000039  -0.000001   0.000018  -0.000150   0.000000   0.000002
    40  N   -0.000031   0.000007  -0.000552   0.003649  -0.000002   0.000023
    41  H    0.000003   0.000000   0.000007  -0.000217   0.000000   0.000000
    42  C   -0.000039   0.000022  -0.000249  -0.002476   0.000006  -0.000042
    43  H    0.000000   0.000000   0.000000  -0.000009   0.000000   0.000000
    44  H    0.000000   0.000000   0.000000   0.000007   0.000000   0.000000
    45  H    0.000000   0.000000   0.000000  -0.000043   0.000000   0.000000
    46  C   -0.000542  -0.000044   0.002186  -0.003907   0.000007   0.000044
    47  H   -0.000010   0.000000   0.000324  -0.000238   0.000000   0.000000
    48  H    0.000001   0.000000  -0.000004  -0.000197   0.000000   0.000000
    49  H    0.000000   0.000000  -0.000002   0.000036   0.000000   0.000000
              25         26         27         28         29         30
     1  Cs  -0.004647  -0.068410   0.011383   0.025740  -0.005556  -0.042675
     2  C   -0.000192  -0.002829  -0.001854   0.009080   0.000582  -0.005565
     3  O    0.000000   0.000214  -0.000009  -0.000075   0.000000  -0.000215
     4  N   -0.000026   0.010113  -0.001580  -0.006580   0.002486  -0.001910
     5  H    0.000000   0.000121  -0.000001  -0.000013   0.000000  -0.000028
     6  C   -0.000040   0.012557  -0.002926  -0.005455  -0.000373   0.001219
     7  H    0.000000  -0.000335   0.000094   0.000001   0.000010  -0.000023
     8  H    0.000000   0.023945  -0.001712  -0.005066  -0.000596  -0.000265
     9  H    0.000000  -0.004298   0.000550   0.000295   0.000061   0.000169
    10  C    0.000057  -0.018037  -0.000557   0.015192  -0.005748  -0.006051
    11  H    0.000002   0.013773  -0.001074  -0.000614   0.002760  -0.004495
    12  H    0.000003  -0.001262   0.000007   0.000148   0.000031  -0.000618
    13  H    0.000000  -0.000849   0.000038   0.000055   0.000063  -0.000038
    14  C    0.004344  -0.003450   0.000066   0.015285  -0.000093  -0.029426
    15  O    0.002144  -0.000551   0.000003   0.001208  -0.000001  -0.008153
    16  N   -0.074791   0.003810  -0.000029  -0.007312   0.000007   0.020275
    17  H    0.007378   0.000202  -0.000002  -0.000042   0.000000  -0.002568
    18  C    0.003384  -0.002410  -0.000050   0.004221  -0.000020  -0.004770
    19  H    0.000194   0.000010   0.000000   0.000009   0.000000  -0.000052
    20  H   -0.000089   0.000001   0.000000  -0.000008   0.000000   0.000069
    21  H   -0.000150  -0.000038   0.000000   0.000001   0.000000  -0.000159
    22  C    0.407446  -0.001673   0.000237  -0.003124   0.000111   0.005497
    23  H   -0.020420   0.000007   0.000000  -0.000015   0.000000   0.000108
    24  H   -0.024024  -0.000016   0.000000   0.000129   0.000000  -0.000945
    25  H    0.458306   0.000077   0.000000  -0.000017   0.000000   0.000360
    26  C    0.000077   5.279093   0.448306   0.058437   0.442114  -0.026241
    27  O    0.000000   0.448306   8.247818  -0.208212  -0.043706   0.028557
    28  N   -0.000017   0.058437  -0.208212   7.617710  -0.171603  -0.011237
    29  H    0.000000   0.442114  -0.043706  -0.171603   0.569824   0.000549
    30  C    0.000360  -0.026241   0.028557  -0.011237   0.000549   5.612842
    31  H    0.000001  -0.003793  -0.001034  -0.042543  -0.000198   0.388067
    32  H    0.000136  -0.005720   0.000055  -0.052971   0.000030   0.391584
    33  H   -0.000002  -0.002341   0.002219  -0.071330   0.006845   0.404122
    34  C   -0.000198  -0.159738  -0.003445   0.022060   0.009536  -0.113100
    35  H    0.000000  -0.003886  -0.000766  -0.032005  -0.000190  -0.009970
    36  H    0.000000  -0.010297   0.008682  -0.061782   0.000234   0.010860
    37  H   -0.000001   0.000263   0.001899  -0.056987  -0.000052  -0.010143
    38  C   -0.000005  -0.001978  -0.000414   0.003980  -0.000004  -0.002612
    39  O    0.000000   0.000267   0.000019  -0.000108   0.000000  -0.000044
    40  N   -0.000002  -0.009419   0.002524  -0.002845   0.000049   0.002788
    41  H    0.000000   0.000088   0.000001  -0.000010   0.000000  -0.000010
    42  C   -0.000004   0.020767  -0.009340   0.003719   0.000105  -0.000271
    43  H    0.000000  -0.000474   0.000159  -0.000126   0.000001  -0.000040
    44  H    0.000000  -0.001844   0.000712   0.000143   0.000000   0.000024
    45  H    0.000000   0.012085   0.000548  -0.001458   0.000040   0.000334
    46  C    0.000008   0.005638  -0.002941   0.001695  -0.000172  -0.003520
    47  H    0.000000  -0.000041   0.000006  -0.000023   0.000000   0.000003
    48  H    0.000000   0.001565  -0.001148  -0.000954  -0.000001  -0.000214
    49  H    0.000000  -0.000146   0.000043   0.000009   0.000000   0.000015
              31         32         33         34         35         36
     1  Cs   0.003435  -0.007308  -0.002165  -0.034530   0.001351   0.002030
     2  C    0.000084  -0.000348  -0.000124  -0.004346   0.000017  -0.000020
     3  O    0.000000   0.000003  -0.000002  -0.000132   0.000000   0.000000
     4  N   -0.000006   0.000115  -0.000055   0.004413  -0.000005   0.000010
     5  H    0.000000   0.000000   0.000000  -0.000010   0.000000   0.000000
     6  C   -0.000120   0.000703  -0.000452  -0.002805  -0.000048  -0.000335
     7  H    0.000000   0.000000   0.000000   0.000060   0.000000   0.000000
     8  H   -0.000001   0.000007   0.000003  -0.002597  -0.000001   0.000010
     9  H    0.000000   0.000000   0.000001   0.000249   0.000000   0.000000
    10  C    0.000277  -0.000844  -0.000416  -0.000193   0.000085   0.000082
    11  H    0.000048  -0.000260   0.001718  -0.002483   0.000000   0.000001
    12  H    0.000000   0.000008   0.000010   0.000255   0.000000   0.000000
    13  H    0.000000   0.000001   0.000022   0.000106   0.000000   0.000000
    14  C   -0.001380   0.007699   0.000005   0.015452  -0.000404  -0.002864
    15  O    0.000174  -0.002306  -0.000003  -0.006169   0.000314   0.000280
    16  N    0.000019  -0.001717   0.000045  -0.007253  -0.000018   0.000263
    17  H    0.000074   0.002605   0.000016   0.001730   0.000003  -0.000001
    18  C    0.000187  -0.002652   0.000031  -0.001746   0.000057   0.000190
    19  H    0.000000   0.000001   0.000000   0.000145   0.000000   0.000000
    20  H    0.000000   0.000000   0.000000  -0.000012   0.000000   0.000000
    21  H    0.000000   0.000001   0.000000  -0.000211   0.000000   0.000000
    22  C   -0.000502   0.004247  -0.000200   0.000125  -0.000033   0.000120
    23  H    0.000000   0.000000   0.000000  -0.000035   0.000000   0.000000
    24  H    0.000000  -0.000013   0.000001   0.000264   0.000000   0.000000
    25  H    0.000001   0.000136  -0.000002  -0.000198   0.000000   0.000000
    26  C   -0.003793  -0.005720  -0.002341  -0.159738  -0.003886  -0.010297
    27  O   -0.001034   0.000055   0.002219  -0.003445  -0.000766   0.008682
    28  N   -0.042543  -0.052971  -0.071330   0.022060  -0.032005  -0.061782
    29  H   -0.000198   0.000030   0.006845   0.009536  -0.000190   0.000234
    30  C    0.388067   0.391584   0.404122  -0.113100  -0.009970   0.010860
    31  H    0.478005  -0.035228  -0.020619  -0.009502   0.002774  -0.000125
    32  H   -0.035228   0.482942  -0.024099  -0.000065  -0.000711   0.000237
    33  H   -0.020619  -0.024099   0.456384   0.007009  -0.000107  -0.000158
    34  C   -0.009502  -0.000065   0.007009   5.672579   0.382993   0.398555
    35  H    0.002774  -0.000711  -0.000107   0.382993   0.464801  -0.021841
    36  H   -0.000125   0.000237  -0.000158   0.398555  -0.021841   0.445271
    37  H   -0.001332   0.004507   0.000201   0.394311  -0.027851  -0.024550
    38  C    0.000008  -0.000050  -0.000020  -0.001767   0.000021  -0.000122
    39  O    0.000000   0.000000   0.000000  -0.000190   0.000000   0.000003
    40  N   -0.000009   0.000091  -0.000012   0.009389  -0.000104   0.000708
    41  H    0.000000   0.000000   0.000000  -0.000054   0.000000   0.000000
    42  C    0.000052  -0.000294   0.000102  -0.011794   0.000330   0.000644
    43  H    0.000000   0.000000   0.000000   0.000173   0.000000   0.000000
    44  H    0.000000   0.000000   0.000000   0.000180   0.000000   0.000003
    45  H    0.000000   0.000002   0.000000  -0.003934  -0.000001   0.000324
    46  C    0.000075  -0.000259   0.000010  -0.009532   0.000603  -0.004635
    47  H    0.000000   0.000000   0.000000  -0.000300   0.000000   0.000000
    48  H    0.000000   0.000001   0.000000   0.004423  -0.000001   0.002241
    49  H    0.000000   0.000000   0.000000  -0.000060   0.000000   0.000012
              37         38         39         40         41         42
     1  Cs  -0.005005  -0.090720   0.010690   0.047165  -0.006371  -0.046922
     2  C   -0.000095  -0.011203   0.000661   0.001674  -0.000478   0.012225
     3  O    0.000000  -0.003508  -0.000447   0.000493   0.000005   0.000493
     4  N    0.000009   0.011924   0.001295  -0.006648   0.000117  -0.004131
     5  H    0.000000   0.001799   0.000448   0.000213   0.000000  -0.001565
     6  C    0.000236   0.002742  -0.004296   0.008845  -0.000268  -0.009507
     7  H    0.000000   0.001049   0.000401   0.000101   0.000001  -0.001877
     8  H    0.000003  -0.002177  -0.000115  -0.000431   0.000000   0.002478
     9  H    0.000000   0.000366   0.000027  -0.000020   0.000000  -0.000426
    10  C   -0.000123  -0.004477  -0.001165   0.007704   0.000018  -0.007009
    11  H    0.000000  -0.000208   0.000003   0.000079   0.000000  -0.000451
    12  H    0.000000  -0.000077   0.000002  -0.000006   0.000000   0.000131
    13  H    0.000000   0.000062   0.000000  -0.000007   0.000000   0.000013
    14  C    0.015901   0.003431   0.000211  -0.003906  -0.000208  -0.002238
    15  O    0.001612  -0.001304   0.000015  -0.000507   0.000000  -0.000370
    16  N   -0.002709   0.002083  -0.000063   0.001130  -0.000127   0.002592
    17  H   -0.000429  -0.000070   0.000000  -0.000002   0.000000  -0.000014
    18  C   -0.001057  -0.003843  -0.000718  -0.000822   0.001727  -0.001698
    19  H    0.000002  -0.000435   0.000039  -0.000031   0.000003  -0.000039
    20  H    0.000000   0.000087  -0.000001   0.000007   0.000000   0.000022
    21  H    0.000000  -0.001038   0.000018  -0.000552   0.000007  -0.000249
    22  C   -0.000332  -0.002228  -0.000150   0.003649  -0.000217  -0.002476
    23  H    0.000000   0.000061   0.000000  -0.000002   0.000000   0.000006
    24  H    0.000003  -0.000522   0.000002   0.000023   0.000000  -0.000042
    25  H   -0.000001  -0.000005   0.000000  -0.000002   0.000000  -0.000004
    26  C    0.000263  -0.001978   0.000267  -0.009419   0.000088   0.020767
    27  O    0.001899  -0.000414   0.000019   0.002524   0.000001  -0.009340
    28  N   -0.056987   0.003980  -0.000108  -0.002845  -0.000010   0.003719
    29  H   -0.000052  -0.000004   0.000000   0.000049   0.000000   0.000105
    30  C   -0.010143  -0.002612  -0.000044   0.002788  -0.000010  -0.000271
    31  H   -0.001332   0.000008   0.000000  -0.000009   0.000000   0.000052
    32  H    0.004507  -0.000050   0.000000   0.000091   0.000000  -0.000294
    33  H    0.000201  -0.000020   0.000000  -0.000012   0.000000   0.000102
    34  C    0.394311  -0.001767  -0.000190   0.009389  -0.000054  -0.011794
    35  H   -0.027851   0.000021   0.000000  -0.000104   0.000000   0.000330
    36  H   -0.024550  -0.000122   0.000003   0.000708   0.000000   0.000644
    37  H    0.463801   0.000060   0.000000   0.000074   0.000000  -0.000775
    38  C    0.000060   5.171787   0.452414   0.030664   0.465592  -0.088094
    39  O    0.000000   0.452414   8.264382  -0.203164  -0.045404  -0.017501
    40  N    0.000074   0.030664  -0.203164   7.661985  -0.185308   0.011422
    41  H    0.000000   0.465592  -0.045404  -0.185308   0.566219   0.004005
    42  C   -0.000775  -0.088094  -0.017501   0.011422   0.004005   5.703905
    43  H    0.000000  -0.009971   0.013535  -0.067621   0.000341   0.411041
    44  H    0.000000  -0.002794   0.000332  -0.030623  -0.000135   0.370612
    45  H    0.000008   0.001237   0.000830  -0.067275  -0.000082   0.405212
    46  C   -0.000818  -0.037106   0.036826  -0.017567   0.001806  -0.115486
    47  H    0.000012   0.004296   0.002226  -0.071539   0.005991   0.001472
    48  H   -0.000153  -0.005739  -0.000027  -0.061400   0.000022   0.017145
    49  H    0.000003  -0.006142  -0.000969  -0.037191  -0.000131  -0.016209
              43         44         45         46         47         48
     1  Cs  -0.002171   0.003405  -0.002801  -0.074792  -0.002336  -0.004615
     2  C   -0.000177  -0.000086   0.000880  -0.005614  -0.000116   0.000216
     3  O   -0.000001   0.000000  -0.000006  -0.000482   0.000001  -0.000001
     4  N    0.000018  -0.000033  -0.000003   0.006192  -0.000004   0.000048
     5  H   -0.000005   0.000000   0.000000  -0.000133   0.000000   0.000000
     6  C   -0.000156   0.001031  -0.004909  -0.003108   0.000110  -0.000679
     7  H    0.000210   0.000001   0.000003  -0.000276   0.000000   0.000000
     8  H   -0.000171   0.000021   0.000327  -0.000459   0.000000   0.000001
     9  H    0.000011  -0.000001   0.000010   0.000083   0.000000   0.000000
    10  C   -0.000162   0.000104  -0.000711  -0.004001  -0.000023  -0.000133
    11  H    0.000001   0.000000   0.000002   0.000009   0.000000   0.000000
    12  H    0.000000   0.000000   0.000000  -0.000054   0.000000   0.000000
    13  H    0.000000   0.000000   0.000000   0.000013   0.000000   0.000000
    14  C   -0.000008   0.000018  -0.000145   0.005471  -0.000439  -0.000173
    15  O    0.000000   0.000000   0.000004   0.001380  -0.000124  -0.000044
    16  N   -0.000003  -0.000002   0.000041  -0.002806  -0.000198   0.000035
    17  H    0.000000   0.000000   0.000000   0.000142   0.000000   0.000000
    18  C    0.000039   0.000011  -0.000166   0.006435   0.001228  -0.000528
    19  H    0.000000   0.000000   0.000000  -0.000542  -0.000010   0.000001
    20  H    0.000000   0.000000   0.000000  -0.000044   0.000000   0.000000
    21  H    0.000000   0.000000   0.000000   0.002186   0.000324  -0.000004
    22  C   -0.000009   0.000007  -0.000043  -0.003907  -0.000238  -0.000197
    23  H    0.000000   0.000000   0.000000   0.000007   0.000000   0.000000
    24  H    0.000000   0.000000   0.000000   0.000044   0.000000   0.000000
    25  H    0.000000   0.000000   0.000000   0.000008   0.000000   0.000000
    26  C   -0.000474  -0.001844   0.012085   0.005638  -0.000041   0.001565
    27  O    0.000159   0.000712   0.000548  -0.002941   0.000006  -0.001148
    28  N   -0.000126   0.000143  -0.001458   0.001695  -0.000023  -0.000954
    29  H    0.000001   0.000000   0.000040  -0.000172   0.000000  -0.000001
    30  C   -0.000040   0.000024   0.000334  -0.003520   0.000003  -0.000214
    31  H    0.000000   0.000000   0.000000   0.000075   0.000000   0.000000
    32  H    0.000000   0.000000   0.000002  -0.000259   0.000000   0.000001
    33  H    0.000000   0.000000   0.000000   0.000010   0.000000   0.000000
    34  C    0.000173   0.000180  -0.003934  -0.009532  -0.000300   0.004423
    35  H    0.000000   0.000000  -0.000001   0.000603   0.000000  -0.000001
    36  H    0.000000   0.000003   0.000324  -0.004635   0.000000   0.002241
    37  H    0.000000   0.000000   0.000008  -0.000818   0.000012  -0.000153
    38  C   -0.009971  -0.002794   0.001237  -0.037106   0.004296  -0.005739
    39  O    0.013535   0.000332   0.000830   0.036826   0.002226  -0.000027
    40  N   -0.067621  -0.030623  -0.067275  -0.017567  -0.071539  -0.061400
    41  H    0.000341  -0.000135  -0.000082   0.001806   0.005991   0.000022
    42  C    0.411041   0.370612   0.405212  -0.115486   0.001472   0.017145
    43  H    0.443172  -0.019989  -0.024206   0.003202  -0.000152   0.000143
    44  H   -0.019989   0.470318  -0.032040  -0.001017  -0.000046  -0.001591
    45  H   -0.024206  -0.032040   0.468665  -0.007455   0.000153   0.005437
    46  C    0.003202  -0.001017  -0.007455   5.632430   0.404668   0.384174
    47  H   -0.000152  -0.000046   0.000153   0.404668   0.453154  -0.024560
    48  H    0.000143  -0.001591   0.005437   0.384174  -0.024560   0.469509
    49  H   -0.000095   0.002796  -0.000767   0.390095  -0.021588  -0.031220
              49
     1  Cs   0.002643
     2  C   -0.000004
     3  O    0.000000
     4  N   -0.000004
     5  H    0.000000
     6  C    0.000096
     7  H    0.000000
     8  H    0.000000
     9  H    0.000000
    10  C    0.000021
    11  H    0.000000
    12  H    0.000000
    13  H    0.000000
    14  C   -0.000002
    15  O   -0.000002
    16  N    0.000001
    17  H    0.000000
    18  C    0.000069
    19  H    0.000000
    20  H    0.000000
    21  H   -0.000002
    22  C    0.000036
    23  H    0.000000
    24  H    0.000000
    25  H    0.000000
    26  C   -0.000146
    27  O    0.000043
    28  N    0.000009
    29  H    0.000000
    30  C    0.000015
    31  H    0.000000
    32  H    0.000000
    33  H    0.000000
    34  C   -0.000060
    35  H    0.000000
    36  H    0.000012
    37  H    0.000003
    38  C   -0.006142
    39  O   -0.000969
    40  N   -0.037191
    41  H   -0.000131
    42  C   -0.016209
    43  H   -0.000095
    44  H    0.002796
    45  H   -0.000767
    46  C    0.390095
    47  H   -0.021588
    48  H   -0.031220
    49  H    0.473230
 Mulliken charges:
               1
     1  Cs   0.857445
     2  C    0.132881
     3  O   -0.507567
     4  N   -0.035691
     5  H    0.195195
     6  C   -0.623889
     7  H    0.244630
     8  H    0.244656
     9  H    0.243098
    10  C   -0.587822
    11  H    0.238268
    12  H    0.256949
    13  H    0.247716
    14  C    0.014373
    15  O   -0.487330
    16  N   -0.002675
    17  H    0.194565
    18  C   -0.564240
    19  H    0.244037
    20  H    0.247426
    21  H    0.255047
    22  C   -0.608847
    23  H    0.243531
    24  H    0.237783
    25  H    0.240769
    26  C   -0.003380
    27  O   -0.473129
    28  N   -0.036606
    29  H    0.192877
    30  C   -0.582085
    31  H    0.243112
    32  H    0.239869
    33  H    0.243360
    34  C   -0.547806
    35  H    0.244593
    36  H    0.255970
    37  H    0.249508
    38  C    0.124965
    39  O   -0.510288
    40  N   -0.023765
    41  H    0.192861
    42  C   -0.629708
    43  H    0.253491
    44  H    0.240483
    45  H    0.249860
    46  C   -0.586464
    47  H    0.248095
    48  H    0.248420
    49  H    0.245461
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Cs   0.857445
     2  C    0.328076
     3  O   -0.507567
     4  N   -0.035691
     6  C    0.108495
    10  C    0.155110
    14  C    0.208938
    15  O   -0.487330
    16  N   -0.002675
    18  C    0.182270
    22  C    0.113236
    26  C    0.189497
    27  O   -0.473129
    28  N   -0.036606
    30  C    0.144256
    34  C    0.202265
    38  C    0.317826
    39  O   -0.510288
    40  N   -0.023765
    42  C    0.114126
    46  C    0.155512
 Electronic spatial extent (au):  <R**2>=          11638.5445
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -4.1970    Y=             -7.8332    Z=              8.8745  Tot=             12.5591
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -137.5931   YY=           -137.3972   ZZ=           -140.7891
   XY=             13.2914   XZ=            -30.5629   YZ=             -2.3640
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.0000   YY=              1.1959   ZZ=             -2.1960
   XY=             13.2914   XZ=            -30.5629   YZ=             -2.3640
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            704.1204  YYY=            160.3149  ZZZ=           -737.4980  XYY=            241.1469
  XXY=            -56.4086  XXZ=           -178.5501  XZZ=            187.0169  YZZ=            136.1539
  YYZ=           -341.8339  XYZ=            -37.8257
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5484.8484 YYYY=          -4196.0519 ZZZZ=          -5950.6913 XXXY=            215.3525
 XXXZ=            958.4694 YYYX=           -210.6929 YYYZ=            725.9464 ZZZX=            945.7505
 ZZZY=            880.3089 XXYY=          -1682.0148 XXZZ=          -1754.4606 YYZZ=          -2107.8597
 XXYZ=             54.7943 YYXZ=            610.5576 ZZXY=           -454.1795
 N-N= 1.847701746161D+03 E-N=-6.026717244368D+03  KE= 9.923593209205D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Nov 14 00:18:51 2016, MaxMem=  2952790016 cpu:         4.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37544.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 00:18:59 2016, MaxMem=  2952790016 cpu:        97.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:18:59 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:19:36 2016, MaxMem=  2952790016 cpu:       441.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.65123552D+00-3.08182557D+00 3.49148153D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.001252276    0.000250744    0.000163616
      2        6          -0.000205195    0.000625950    0.000048785
      3        8           0.000010303   -0.000274683   -0.000046316
      4        7           0.000163939   -0.000142820   -0.000002638
      5        1           0.000318268   -0.000267968   -0.000355987
      6        6          -0.000050541    0.000168946   -0.000021231
      7        1           0.000209315   -0.000023612   -0.000015031
      8        1           0.000018299   -0.000010148    0.000030831
      9        1           0.000063553   -0.000024810    0.000000955
     10        6          -0.000018234    0.000050875    0.000034004
     11        1           0.000021793   -0.000012295   -0.000004060
     12        1           0.000005875    0.000000387    0.000000476
     13        1           0.000033800   -0.000002302    0.000004483
     14        6           0.000027735   -0.000025205    0.000023085
     15        8          -0.000082944    0.000010021   -0.000032731
     16        7          -0.000119084    0.000074932   -0.000000519
     17        1          -0.000051715    0.000016520   -0.000011919
     18        6          -0.000009282    0.000055267   -0.000034997
     19        1          -0.000021104    0.000141512   -0.000125127
     20        1          -0.000026961    0.000049405   -0.000022811
     21        1           0.000011771   -0.000034874    0.000087243
     22        6          -0.000037974    0.000040017   -0.000075930
     23        1          -0.000019072    0.000021104   -0.000010990
     24        1           0.000024107    0.000003989   -0.000019902
     25        1          -0.000039049    0.000007582   -0.000019046
     26        6           0.000000198    0.000092905    0.000033367
     27        8           0.000034161   -0.000080626    0.000015213
     28        7          -0.000023597   -0.000086134    0.000033473
     29        1           0.000001061   -0.000022423    0.000018846
     30        6          -0.000010969    0.000005181    0.000034350
     31        1          -0.000014314   -0.000040413   -0.000010053
     32        1          -0.000021395   -0.000016373   -0.000003922
     33        1          -0.000009386   -0.000017083    0.000004247
     34        6          -0.000008955   -0.000023859   -0.000014509
     35        1          -0.000018674   -0.000041443    0.000011030
     36        1           0.000002495   -0.000015021    0.000009719
     37        1          -0.000015794   -0.000032218   -0.000011615
     38        6          -0.003187686    0.004304007    0.002712269
     39        8          -0.000195156   -0.001666806   -0.001065446
     40        7           0.002039312    0.000791072   -0.001982500
     41        1           0.001112221   -0.001775833   -0.000891089
     42        6           0.001140496    0.000837863   -0.001686108
     43        1          -0.000733982   -0.001275259    0.001130910
     44        1          -0.000285458   -0.000508824    0.000452896
     45        1          -0.000061377   -0.000424457    0.000643439
     46        6          -0.001032498    0.002054209    0.000657089
     47        1          -0.000295809   -0.001297198    0.000240343
     48        1          -0.000443942   -0.001141818   -0.000305236
     49        1           0.000549169   -0.000317986    0.000379042
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004304007 RMS     0.000717872
 Leave Link  716 at Mon Nov 14 00:19:36 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001701661 RMS     0.000157332
 Search for a local minimum.
 Step number   1 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15733D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Second derivative matrix not updated -- first step.
 ITU=  0
     Eigenvalues ---    0.00343   0.00359   0.00372   0.00384   0.00536
     Eigenvalues ---    0.00685   0.00750   0.00762   0.00772   0.00866
     Eigenvalues ---    0.00884   0.00907   0.01011   0.01021   0.01033
     Eigenvalues ---    0.01057   0.01225   0.01345   0.01360   0.01368
     Eigenvalues ---    0.01383   0.01497   0.01516   0.01534   0.01607
     Eigenvalues ---    0.01777   0.01801   0.01815   0.01858   0.01891
     Eigenvalues ---    0.01891   0.01952   0.02051   0.02110   0.02124
     Eigenvalues ---    0.02145   0.02262   0.02826   0.02887   0.02911
     Eigenvalues ---    0.03222   0.03620   0.04028   0.04193   0.04284
     Eigenvalues ---    0.04663   0.05038   0.05250   0.05684   0.05769
     Eigenvalues ---    0.06070   0.06100   0.06116   0.06308   0.07548
     Eigenvalues ---    0.07646   0.07696   0.07836   0.07975   0.08001
     Eigenvalues ---    0.08111   0.08228   0.08440   0.08488   0.08548
     Eigenvalues ---    0.08666   0.08733   0.08788   0.08980   0.09156
     Eigenvalues ---    0.09232   0.09502   0.09765   0.09936   0.09996
     Eigenvalues ---    0.10055   0.10278   0.10433   0.10518   0.10534
     Eigenvalues ---    0.10585   0.10691   0.10744   0.11251   0.11337
     Eigenvalues ---    0.11488   0.11590   0.11842   0.12641   0.13210
     Eigenvalues ---    0.13872   0.14329   0.14728   0.15126   0.15324
     Eigenvalues ---    0.15707   0.16662   0.22091   0.23241   0.23722
     Eigenvalues ---    0.24039   0.24729   0.25075   0.25318   0.26499
     Eigenvalues ---    0.26861   0.27466   0.28013   0.29235   0.29785
     Eigenvalues ---    0.29852   0.29962   0.32716   0.32727   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33378
     Eigenvalues ---    0.33384   0.33394   0.33416   0.33425   0.33687
     Eigenvalues ---    0.33792   0.33827   0.33830   0.33830   0.33915
     Eigenvalues ---    0.33928   0.33942   0.33998   0.37073   0.39444
     Eigenvalues ---    0.39715   0.40789   0.85942   0.85987   0.85989
     Eigenvalues ---    0.86095
 RFO step:  Lambda=-4.26502573D-04 EMin= 3.43488005D-03
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00375286 RMS(Int)=  0.00004939
 Iteration  2 RMS(Cart)=  0.00004051 RMS(Int)=  0.00003251
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003251
 ITry= 1 IFail=0 DXMaxC= 5.34D-02 DCOld= 1.00D+10 DXMaxT= 3.00D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.66755   0.00024   0.00000   0.01035   0.01035   6.67790
    R2        6.20462   0.00011   0.00000   0.00360   0.00360   6.20822
    R3        6.94378   0.00017   0.00000   0.00350   0.00350   6.94728
    R4        6.00522   0.00004   0.00000   0.00209   0.00209   6.00730
    R5        6.60774  -0.00007   0.00000  -0.00024  -0.00024   6.60750
    R6        5.97491  -0.00005   0.00000  -0.00174  -0.00174   5.97317
    R7        6.71829  -0.00001   0.00000  -0.00033  -0.00033   6.71796
    R8        6.22430  -0.00003   0.00000  -0.00077  -0.00077   6.22353
    R9        6.64087  -0.00005   0.00000  -0.00260  -0.00260   6.63827
   R10        6.05257  -0.00006   0.00000  -0.00356  -0.00356   6.04901
   R11        6.97238  -0.00001   0.00000   0.00001   0.00001   6.97239
   R12        6.02783   0.00000   0.00000   0.00000   0.00000   6.02784
   R13        6.91377   0.00003   0.00000   0.00069   0.00069   6.91446
   R14        6.19847   0.00002   0.00000   0.00045   0.00045   6.19891
   R15        6.86273   0.00000   0.00000  -0.00041  -0.00041   6.86232
   R16        5.95543  -0.00001   0.00000  -0.00064  -0.00064   5.95479
   R17        6.70458   0.00003   0.00000   0.00116   0.00116   6.70574
   R18        6.61686   0.00112   0.00000   0.05444   0.05439   6.67124
   R19        6.22278   0.00023   0.00000   0.00355   0.00354   6.22632
   R20        6.99080  -0.00036   0.00000  -0.01533  -0.01541   6.97539
   R21        6.09219  -0.00035   0.00000  -0.02009  -0.02012   6.07207
   R22        6.66375   0.00039   0.00000   0.00719   0.00718   6.67093
   R23        6.09985  -0.00034   0.00000  -0.02681  -0.02676   6.07309
   R24        2.34787   0.00026   0.00000   0.00030   0.00030   2.34817
   R25        2.57327   0.00005   0.00000   0.00043   0.00043   2.57370
   R26        2.09554  -0.00047   0.00000  -0.00143  -0.00143   2.09410
   R27        2.76585   0.00005   0.00000   0.00055   0.00055   2.76639
   R28        2.76800  -0.00009   0.00000  -0.00016  -0.00016   2.76784
   R29        2.07618  -0.00016   0.00000  -0.00048  -0.00048   2.07570
   R30        2.08220   0.00005   0.00000   0.00035   0.00035   2.08255
   R31        2.08312   0.00002   0.00000   0.00006   0.00006   2.08317
   R32        2.08081  -0.00004   0.00000   0.00001   0.00001   2.08081
   R33        2.07475   0.00002   0.00000   0.00005   0.00005   2.07480
   R34        2.08382   0.00001   0.00000   0.00003   0.00003   2.08385
   R35        2.34861   0.00000   0.00000  -0.00001  -0.00001   2.34861
   R36        2.57132   0.00004   0.00000   0.00006   0.00005   2.57137
   R37        2.09366  -0.00003   0.00000  -0.00010  -0.00010   2.09356
   R38        2.76833  -0.00002   0.00000  -0.00024  -0.00024   2.76809
   R39        2.76428   0.00005   0.00000   0.00000   0.00000   2.76428
   R40        2.08131   0.00006   0.00000   0.00025   0.00025   2.08156
   R41        2.08397  -0.00002   0.00000  -0.00006  -0.00006   2.08392
   R42        2.07428   0.00009   0.00000   0.00027   0.00027   2.07456
   R43        2.08327   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08377  -0.00003   0.00000  -0.00006  -0.00005   2.08372
   R45        2.07682  -0.00003   0.00000  -0.00010  -0.00010   2.07672
   R46        2.34839  -0.00006   0.00000  -0.00007  -0.00007   2.34832
   R47        2.57150   0.00001   0.00000   0.00011   0.00012   2.57162
   R48        2.09357   0.00001   0.00000   0.00003   0.00003   2.09360
   R49        2.76509  -0.00002   0.00000   0.00000   0.00001   2.76510
   R50        2.76827  -0.00001   0.00000  -0.00011  -0.00011   2.76816
   R51        2.08445   0.00000   0.00000   0.00000   0.00000   2.08445
   R52        2.08140  -0.00007   0.00000  -0.00002   0.00000   2.08139
   R53        2.07618   0.00001   0.00000   0.00003   0.00003   2.07621
   R54        2.08528   0.00001   0.00000   0.00002   0.00002   2.08530
   R55        2.07333  -0.00001   0.00000  -0.00003  -0.00003   2.07330
   R56        2.07862   0.00001   0.00000   0.00002   0.00002   2.07864
   R57        2.34838  -0.00026   0.00000  -0.00031  -0.00031   2.34808
   R58        2.57134   0.00067   0.00000   0.00309   0.00324   2.57458
   R59        2.09534   0.00035   0.00000   0.00108   0.00108   2.09642
   R60        2.76685  -0.00056   0.00000  -0.00213  -0.00206   2.76479
   R61        2.76848   0.00080   0.00000   0.00315   0.00317   2.77165
   R62        2.07623  -0.00156   0.00000  -0.00460  -0.00460   2.07163
   R63        2.08364   0.00008   0.00000   0.00023   0.00023   2.08388
   R64        2.08202  -0.00010   0.00000  -0.00016  -0.00016   2.08187
   R65        2.07451   0.00111   0.00000   0.00326   0.00326   2.07777
   R66        2.08034   0.00010   0.00000   0.00060   0.00072   2.08106
   R67        2.08392   0.00005   0.00000   0.00016   0.00016   2.08408
    A1        0.69802   0.00000   0.00000  -0.00037  -0.00038   0.69765
    A2        0.98600   0.00000   0.00000  -0.00054  -0.00054   0.98546
    A3        0.71803  -0.00002   0.00000  -0.00066  -0.00067   0.71736
    A4        1.01290  -0.00002   0.00000  -0.00070  -0.00070   1.01219
    A5        2.30861  -0.00002   0.00000  -0.00018  -0.00018   2.30843
    A6        1.98290  -0.00002   0.00000  -0.00005  -0.00005   1.98285
    A7        1.93372   0.00000   0.00000   0.00023   0.00023   1.93395
    A8        1.63999  -0.00001   0.00000   0.00010   0.00010   1.64010
    A9        1.61819  -0.00003   0.00000  -0.00019  -0.00019   1.61801
   A10        1.33493  -0.00003   0.00000  -0.00018  -0.00018   1.33475
   A11        1.74893  -0.00002   0.00000  -0.00034  -0.00034   1.74859
   A12        2.04482  -0.00003   0.00000  -0.00051  -0.00051   2.04432
   A13        1.93676  -0.00005   0.00000  -0.00069  -0.00069   1.93607
   A14        2.01869  -0.00006   0.00000  -0.00067  -0.00066   2.01802
   A15        2.44385  -0.00003   0.00000  -0.00047  -0.00047   2.44338
   A16        1.47032   0.00003   0.00000   0.00331   0.00334   1.47365
   A17        1.73674  -0.00007   0.00000  -0.00054  -0.00055   1.73620
   A18        1.60799   0.00006   0.00000  -0.00049  -0.00050   1.60750
   A19        1.69273   0.00013   0.00000   0.00087   0.00087   1.69360
   A20        2.15795   0.00003   0.00000  -0.00028  -0.00028   2.15767
   A21        2.35967   0.00016   0.00000   0.00118   0.00116   2.36083
   A22        0.66372   0.00000   0.00000  -0.00016  -0.00016   0.66356
   A23        0.66346  -0.00001   0.00000  -0.00010  -0.00010   0.66336
   A24        2.38528  -0.00001   0.00000  -0.00003  -0.00003   2.38525
   A25        2.19304  -0.00001   0.00000  -0.00009  -0.00009   2.19295
   A26        2.27892   0.00000   0.00000  -0.00008  -0.00008   2.27884
   A27        2.01138  -0.00001   0.00000  -0.00029  -0.00029   2.01109
   A28        1.78787  -0.00002   0.00000  -0.00008  -0.00008   1.78779
   A29        1.53872  -0.00002   0.00000  -0.00016  -0.00016   1.53855
   A30        1.35474  -0.00002   0.00000   0.00018   0.00018   1.35492
   A31        1.65267  -0.00002   0.00000   0.00010   0.00010   1.65277
   A32        1.60184  -0.00004   0.00000  -0.00003  -0.00003   1.60181
   A33        1.75498  -0.00005   0.00000  -0.00004  -0.00003   1.75495
   A34        2.04794  -0.00002   0.00000   0.00006   0.00007   2.04801
   A35        1.66776   0.00005   0.00000   0.00278   0.00280   1.67056
   A36        1.80781  -0.00009   0.00000  -0.00066  -0.00066   1.80715
   A37        1.54030   0.00004   0.00000  -0.00078  -0.00078   1.53952
   A38        1.51781   0.00012   0.00000   0.00067   0.00067   1.51848
   A39        2.22143   0.00002   0.00000  -0.00083  -0.00084   2.22059
   A40        2.27833   0.00018   0.00000   0.00176   0.00176   2.28008
   A41        0.70840  -0.00002   0.00000  -0.00023  -0.00023   0.70817
   A42        0.77633  -0.00002   0.00000  -0.00028  -0.00028   0.77605
   A43        2.68808  -0.00001   0.00000  -0.00011  -0.00011   2.68798
   A44        2.59888  -0.00001   0.00000  -0.00022  -0.00022   2.59866
   A45        2.62646   0.00000   0.00000  -0.00019  -0.00019   2.62627
   A46        2.31803  -0.00001   0.00000  -0.00036  -0.00036   2.31766
   A47        2.19219  -0.00002   0.00000  -0.00021  -0.00021   2.19198
   A48        1.94760  -0.00002   0.00000  -0.00029  -0.00030   1.94731
   A49        1.12357  -0.00002   0.00000   0.00017   0.00017   1.12375
   A50        1.48570  -0.00002   0.00000   0.00010   0.00010   1.48580
   A51        1.59782  -0.00004   0.00000  -0.00006  -0.00006   1.59776
   A52        1.83839  -0.00006   0.00000  -0.00009  -0.00009   1.83831
   A53        1.80045  -0.00002   0.00000   0.00016   0.00017   1.80062
   A54        1.46875   0.00009   0.00000   0.00260   0.00260   1.47135
   A55        1.48785  -0.00008   0.00000  -0.00024  -0.00024   1.48760
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   A289       1.91411  -0.00003   0.00000   0.00002   0.00002   1.91413
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   A298       1.90274   0.00000   0.00000  -0.00013  -0.00013   1.90261
   A299       1.90952   0.00001   0.00000   0.00017   0.00017   1.90969
   A300       1.89825   0.00000   0.00000  -0.00005  -0.00005   1.89820
   A301       1.91484   0.00001   0.00000   0.00019   0.00019   1.91503
   A302       1.83800  -0.00063   0.00000  -0.00921  -0.00900   1.82900
   A303       1.65400  -0.00121   0.00000  -0.01969  -0.01980   1.63420
   A304       2.19260  -0.00037   0.00000   0.00770   0.00732   2.19993
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   A306       1.96277  -0.00002   0.00000  -0.00245  -0.00299   1.95977
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   A314       1.91408   0.00014   0.00000   0.00141   0.00145   1.91553
   A315       1.90938   0.00039   0.00000   0.00350   0.00348   1.91286
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   A318       1.34504   0.00033   0.00000   0.00974   0.00971   1.35475
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   A320       1.90112   0.00010   0.00000  -0.00225  -0.00228   1.89883
   A321       1.93025   0.00046   0.00000   0.00741   0.00738   1.93763
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   A323       1.91277  -0.00014   0.00000   0.00391   0.00390   1.91666
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   A329       3.26014  -0.00001   0.00000  -0.00027  -0.00027   3.25987
   A330       3.27624   0.00002   0.00000   0.00043   0.00043   3.27666
   A331       3.25781   0.00019   0.00000   0.01366   0.01361   3.27142
   A332       3.20435   0.00003   0.00000   0.00056   0.00056   3.20492
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    D5        1.61569   0.00000   0.00000  -0.00071  -0.00072   1.61498
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   D10        2.41569   0.00000   0.00000   0.00050   0.00050   2.41619
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   D13       -0.49408  -0.00002   0.00000  -0.00079  -0.00079  -0.49487
   D14        1.69035  -0.00001   0.00000   0.00004   0.00004   1.69039
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   D17        0.15303  -0.00003   0.00000  -0.00091  -0.00091   0.15211
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   D21        2.28549  -0.00002   0.00000  -0.00087  -0.00087   2.28462
   D22       -1.81326  -0.00002   0.00000  -0.00004  -0.00004  -1.81331
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   D25        1.59399  -0.00002   0.00000  -0.00087  -0.00087   1.59312
   D26       -2.50476  -0.00001   0.00000  -0.00004  -0.00004  -2.50480
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   D28       -2.81263   0.00002   0.00000   0.00005   0.00005  -2.81258
   D29        2.22567  -0.00007   0.00000  -0.00156  -0.00156   2.22411
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   D31       -2.01116   0.00008   0.00000  -0.00020  -0.00022  -2.01138
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   D34       -0.12427  -0.00006   0.00000   0.00059   0.00060  -0.12367
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   D36       -0.51139  -0.00003   0.00000  -0.00029  -0.00029  -0.51168
   D37       -2.97287  -0.00002   0.00000  -0.00115  -0.00115  -2.97402
   D38       -0.78844  -0.00001   0.00000  -0.00032  -0.00032  -0.78875
   D39       -2.22806  -0.00001   0.00000  -0.00150  -0.00151  -2.22957
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   D42       -0.35964   0.00014   0.00000   0.00230   0.00234  -0.35730
   D43        1.34624   0.00003   0.00000   0.00065   0.00065   1.34689
   D44       -1.98311   0.00002   0.00000   0.00055   0.00056  -1.98255
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   D49        2.86017   0.00000   0.00000  -0.00048  -0.00049   2.85969
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   D53        1.16936   0.00001   0.00000  -0.00016  -0.00016   1.16920
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   D64        0.53956  -0.00001   0.00000  -0.00019  -0.00019   0.53937
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   D67       -2.98513   0.00000   0.00000  -0.00022  -0.00022  -2.98535
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   D72        2.76411   0.00008   0.00000  -0.00153  -0.00157   2.76254
   D73       -0.58962   0.00003   0.00000   0.00102   0.00103  -0.58859
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   D79       -0.79574   0.00001   0.00000   0.00016   0.00015  -0.79559
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   D93        2.01829   0.00001   0.00000   0.00026   0.00026   2.01854
   D94        1.62032   0.00002   0.00000   0.00026   0.00026   1.62058
   D95        1.33710   0.00003   0.00000   0.00026   0.00026   1.33736
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   D400       2.46588   0.00006   0.00000   0.00466   0.00466   2.47054
   D401      -0.51362  -0.00004   0.00000  -0.00011  -0.00011  -0.51373
   D402      -1.35400   0.00008   0.00000  -0.00078  -0.00081  -1.35481
   D403       1.94969  -0.00002   0.00000  -0.00555  -0.00558   1.94411
   D404      -2.50701   0.00013   0.00000   0.00475   0.00472  -2.50229
   D405       0.79668   0.00003   0.00000  -0.00002  -0.00005   0.79663
   D406      -2.97217   0.00023   0.00000   0.00725   0.00728  -2.96489
   D407       0.33151   0.00013   0.00000   0.00248   0.00251   0.33402
   D408       1.85060   0.00004   0.00000   0.00108   0.00110   1.85170
   D409       2.33245   0.00004   0.00000   0.00029   0.00031   2.33276
   D410       2.55746   0.00005   0.00000   0.00027   0.00028   2.55774
   D411       2.81546   0.00003   0.00000  -0.00002  -0.00001   2.81545
   D412       2.73417   0.00004   0.00000  -0.00024  -0.00022   2.73395
   D413      -3.06603   0.00004   0.00000  -0.00060  -0.00059  -3.06662
   D414      -0.80261   0.00005   0.00000   0.00046   0.00046  -0.80215
   D415      -0.42319   0.00005   0.00000   0.00056   0.00057  -0.42262
   D416      -0.11068   0.00005   0.00000   0.00050   0.00050  -0.11018
   D417       0.19852   0.00006   0.00000   0.00066   0.00066   0.19918
   D418      -0.28920   0.00007   0.00000   0.00090   0.00090  -0.28830
   D419       0.03379   0.00005   0.00000   0.00111   0.00112   0.03491
   D420      -2.60318   0.00003   0.00000   0.00043   0.00044  -2.60275
   D421      -2.22279   0.00003   0.00000   0.00040   0.00040  -2.22239
   D422      -1.98921   0.00002   0.00000   0.00004   0.00005  -1.98917
   D423      -1.66927   0.00001   0.00000   0.00008   0.00009  -1.66918
   D424      -1.99665   0.00003   0.00000   0.00074   0.00075  -1.99590
   D425       1.51896  -0.00010   0.00000  -0.00229  -0.00228   1.51668
   D426       2.62221   0.00011   0.00000   0.00040   0.00038   2.62259
   D427       2.99822   0.00016   0.00000   0.00191   0.00191   3.00013
   D428      -3.10092   0.00008   0.00000   0.00070   0.00070  -3.10022
   D429       0.00035   0.00011   0.00000   0.00272   0.00272   0.00307
   D430       0.01816   0.00014   0.00000   0.00051   0.00051   0.01867
   D431       3.11944   0.00017   0.00000   0.00253   0.00253   3.12196
   D432       0.02588  -0.00001   0.00000   0.00229   0.00229   0.02817
   D433       2.11916  -0.00002   0.00000   0.00225   0.00225   2.12141
   D434      -2.07951   0.00000   0.00000   0.00254   0.00254  -2.07697
   D435      -3.07730  -0.00004   0.00000   0.00037   0.00037  -3.07693
   D436      -0.98402  -0.00005   0.00000   0.00033   0.00033  -0.98369
   D437       1.10050  -0.00003   0.00000   0.00062   0.00062   1.10112
   D438      -2.38301  -0.00006   0.00000  -0.00245  -0.00245  -2.38545
   D439      -0.29225  -0.00002   0.00000  -0.00210  -0.00210  -0.29435
   D440       1.81520  -0.00004   0.00000  -0.00242  -0.00242   1.81278
   D441       0.72015  -0.00003   0.00000  -0.00050  -0.00050   0.71966
   D442       2.81091   0.00001   0.00000  -0.00015  -0.00015   2.81076
   D443      -1.36483  -0.00001   0.00000  -0.00047  -0.00047  -1.36530
   D444      -0.01386  -0.00001   0.00000   0.00059   0.00059  -0.01327
   D445       3.11700  -0.00001   0.00000   0.00031   0.00031   3.11731
   D446      -3.13437   0.00001   0.00000   0.00073   0.00073  -3.13364
   D447      -0.00351   0.00001   0.00000   0.00045   0.00045  -0.00306
   D448       2.43345   0.00002   0.00000  -0.00026  -0.00026   2.43319
   D449      -1.76373   0.00000   0.00000  -0.00036  -0.00036  -1.76410
   D450       0.34379  -0.00001   0.00000  -0.00072  -0.00072   0.34307
   D451      -0.69793   0.00002   0.00000   0.00000   0.00000  -0.69793
   D452       1.38807   0.00000   0.00000  -0.00010  -0.00010   1.38797
   D453      -2.78759  -0.00001   0.00000  -0.00045  -0.00045  -2.78804
   D454       2.06939   0.00001   0.00000  -0.00002  -0.00002   2.06938
   D455      -2.12860   0.00003   0.00000   0.00021   0.00021  -2.12839
   D456      -0.03559   0.00001   0.00000  -0.00002  -0.00002  -0.03560
   D457      -1.08242   0.00001   0.00000  -0.00028  -0.00028  -1.08271
   D458       1.00277   0.00003   0.00000  -0.00006  -0.00006   1.00271
   D459       3.09578   0.00001   0.00000  -0.00028  -0.00028   3.09550
   D460      -3.06988   0.00002   0.00000   0.00009   0.00009  -3.06980
   D461      -0.03135   0.00002   0.00000  -0.00001  -0.00001  -0.03136
   D462       0.08622   0.00001   0.00000  -0.00011  -0.00011   0.08610
   D463       3.12475   0.00000   0.00000  -0.00021  -0.00021   3.12454
   D464       1.91291  -0.00001   0.00000  -0.00006  -0.00006   1.91285
   D465      -2.28756  -0.00001   0.00000  -0.00007  -0.00007  -2.28763
   D466      -0.19470  -0.00001   0.00000  -0.00006  -0.00006  -0.19476
   D467      -1.12975  -0.00001   0.00000   0.00003   0.00003  -1.12971
   D468       0.95297  -0.00001   0.00000   0.00002   0.00002   0.95299
   D469       3.04583  -0.00001   0.00000   0.00003   0.00003   3.04586
   D470      -1.63628   0.00000   0.00000  -0.00004  -0.00004  -1.63631
   D471       0.46734   0.00000   0.00000   0.00006   0.00006   0.46740
   D472       2.55910   0.00000   0.00000   0.00017   0.00017   2.55927
   D473       1.40679  -0.00001   0.00000  -0.00013  -0.00013   1.40666
   D474      -2.77278  -0.00001   0.00000  -0.00003  -0.00003  -2.77281
   D475      -0.68101   0.00000   0.00000   0.00008   0.00008  -0.68094
   D476      -0.02901   0.00092   0.00000   0.03082   0.03093   0.00192
   D477      -3.12803   0.00074   0.00000   0.01202   0.01209  -3.11594
   D478       3.14159  -0.00152   0.00000  -0.02534  -0.02525   3.11635
   D479       0.04257  -0.00170   0.00000  -0.04414  -0.04408  -0.00151
   D480      -0.02357  -0.00012   0.00000  -0.01613  -0.01616  -0.03973
   D481       2.08037   0.00003   0.00000  -0.01902  -0.01904   2.06133
   D482      -2.11990  -0.00032   0.00000  -0.02264  -0.02266  -2.14256
   D483       3.07752   0.00004   0.00000   0.00176   0.00176   3.07928
   D484      -1.10173   0.00020   0.00000  -0.00113  -0.00112  -1.10285
   D485       0.98119  -0.00016   0.00000  -0.00475  -0.00474   0.97645
   D486       0.30942   0.00013   0.00000   0.01581   0.01576   0.32518
   D487       2.39979  -0.00020   0.00000   0.00531   0.00525   2.40504
   D488      -1.79935  -0.00015   0.00000   0.00463   0.00455  -1.79479
   D489      -2.79168  -0.00006   0.00000  -0.00231  -0.00229  -2.79398
   D490      -0.70131  -0.00040   0.00000  -0.01282  -0.01280  -0.71411
   D491       1.38274  -0.00034   0.00000  -0.01350  -0.01350   1.36924
         Item               Value     Threshold  Converged?
 Maximum Force            0.001702     0.000450     NO 
 RMS     Force            0.000157     0.000300     YES
 Maximum Displacement     0.053375     0.001800     NO 
 RMS     Displacement     0.003760     0.001200     NO 
 Predicted change in Energy=-2.167449D-04
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:19:37 2016, MaxMem=  2952790016 cpu:         4.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.889806   -0.653662    1.713576
      2          6           0       -2.212886    0.962502   -1.412336
      3          8           0       -2.638231   -0.006556   -2.063530
      4          7           0       -0.953274    1.088025   -0.909836
      5          1           0       -2.857161    1.827784   -1.158965
      6          6           0       -0.557458    2.247798   -0.109027
      7          1           0       -1.417940    2.918768    0.016996
      8          1           0       -0.209063    1.913105    0.881474
      9          1           0        0.264020    2.791361   -0.603930
     10          6           0        0.058321    0.046790   -1.104215
     11          1           0        0.599135   -0.114347   -0.158689
     12          1           0       -0.434527   -0.885937   -1.408489
     13          1           0        0.784264    0.349944   -1.876944
     14          6           0       -1.958566   -4.082173    2.650895
     15          8           0       -2.135848   -3.932463    3.871871
     16          7           0       -2.868720   -3.797982    1.680129
     17          1           0       -1.000549   -4.454055    2.237043
     18          6           0       -4.201249   -3.282911    2.003769
     19          1           0       -4.467563   -2.500269    1.275836
     20          1           0       -4.953298   -4.087692    1.950543
     21          1           0       -4.191610   -2.856843    3.015479
     22          6           0       -2.562371   -3.978040    0.261155
     23          1           0       -3.245907   -4.718619   -0.185658
     24          1           0       -2.686836   -3.020329   -0.270968
     25          1           0       -1.524823   -4.321798    0.147032
     26          6           0        1.508977    0.356956    2.616350
     27          8           0        1.353852    1.372806    3.315086
     28          7           0        1.133013   -0.904226    2.962696
     29          1           0        1.971099    0.399939    1.610362
     30          6           0        1.436511   -2.055131    2.111610
     31          1           0        2.204729   -2.690048    2.584285
     32          1           0        0.527144   -2.659574    1.967249
     33          1           0        1.797794   -1.705034    1.134876
     34          6           0        0.520301   -1.182682    4.263781
     35          1           0        1.284837   -1.489603    4.997937
     36          1           0        0.011226   -0.279692    4.623197
     37          1           0       -0.208161   -1.998898    4.149476
     38          6           0       -4.405070    1.596353    2.749765
     39          8           0       -4.539881    2.382301    1.796855
     40          7           0       -3.368517    1.578449    3.633728
     41          1           0       -5.141851    0.791254    2.948984
     42          6           0       -2.258130    2.527391    3.549423
     43          1           0       -2.396651    3.174512    2.675452
     44          1           0       -2.221291    3.143154    4.463487
     45          1           0       -1.306399    1.979793    3.459777
     46          6           0       -3.293608    0.582177    4.707517
     47          1           0       -3.952874   -0.265173    4.470258
     48          1           0       -2.256244    0.220617    4.784324
     49          1           0       -3.584092    1.022089    5.676214
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.533793   0.000000
     3  O    3.904538   1.242596   0.000000
     4  N    3.285248   1.361941   2.316937   0.000000
     5  H    3.917249   1.108152   2.056933   2.057691   0.000000
     6  C    3.676344   2.468003   3.637556   1.463912   2.562697
     7  H    3.982876   2.549884   3.791467   2.103937   2.155107
     8  H    3.178928   3.190692   4.273056   2.107937   3.344113
     9  H    4.677391   3.183285   4.287404   2.115830   3.313354
    10  C    3.496538   2.468166   2.862608   1.464677   3.416866
    11  H    3.160865   3.261701   3.757736   2.102355   4.088815
    12  H    3.452402   2.565015   2.461444   2.101019   3.646327
    13  H    4.587996   3.094187   3.446068   2.121108   3.994932
    14  C    3.554994   6.482535   6.268844   6.357701   7.088730
    15  O    3.933104   7.203434   7.134012   7.033385   7.681800
    16  N    3.293348   5.714514   5.333200   5.852343   6.301574
    17  H    3.937993   6.642802   6.399780   6.373362   7.378441
    18  C    3.512823   5.800594   5.451647   6.176044   6.158625
    19  H    3.201000   4.929566   4.551530   5.477521   5.220507
    20  H    4.608004   6.657573   6.174787   7.139328   7.003977
    21  H    3.441985   6.173191   6.027724   6.438703   6.415019
    22  C    3.689629   5.227969   4.602456   5.442925   5.984249
    23  H    4.687214   5.903135   5.108739   6.284721   6.629770
    24  H    3.189794   4.170167   3.506918   4.504660   4.931709
    25  H    4.005309   5.552377   4.974694   5.541645   6.426361
    26  C    3.658972   5.518084   6.263606   4.362468   5.956466
    27  O    4.146411   5.936201   6.838778   4.822230   6.160906
    28  N    3.280323   5.815549   6.347523   4.828888   6.354011
    29  H    4.003413   5.192196   5.908354   3.921329   5.746303
    30  C    3.631382   5.902745   6.183202   4.971885   6.649008
    31  H    4.655129   6.987805   7.228941   6.037856   7.748900
    32  H    3.151140   5.661165   5.771073   4.951137   6.431416
    33  H    3.877973   5.448815   5.726514   4.421584   6.277828
    34  C    3.548524   6.655105   7.168993   5.838994   7.062317
    35  H    4.643726   7.703147   8.213052   6.823129   8.128262
    36  H    3.495664   6.551135   7.197676   5.780602   6.789881
    37  H    3.251338   6.612303   6.962479   5.973351   7.059761
    38  C    3.530270   4.746633   5.372043   5.056280   4.210433
    39  O    4.030745   4.210659   4.921939   4.676011   3.446144
    40  N    3.294827   5.213217   5.958549   5.168935   4.826340
    41  H    3.766937   5.256356   5.659497   5.702871   4.813465
    42  C    3.691218   5.202881   6.170138   4.864094   4.797625
    43  H    3.979574   4.651534   5.712749   4.392158   4.090048
    44  H    4.699755   6.267424   7.259233   5.891011   5.809173
    45  H    3.213202   5.059059   6.018827   4.473641   4.874499
    46  C    3.530104   6.226171   6.828118   6.106365   6.013121
    47  H    3.465035   6.256169   6.669750   6.306676   6.104851
    48  H    3.213742   6.241063   6.862262   5.905387   6.186014
    49  H    4.623986   7.220200   7.864884   7.092362   6.920783
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098414   0.000000
     8  H    1.102040   1.794454   0.000000
     9  H    1.102368   1.797435   1.789292   0.000000
    10  C    2.492793   3.418292   2.738172   2.797368   0.000000
    11  H    2.630570   3.646813   2.417785   2.958661   1.101120
    12  H    3.394703   4.180298   3.623452   3.828551   1.097935
    13  H    2.920205   3.877573   3.322505   2.802094   1.102726
    14  C    7.046191   7.499525   6.491145   7.923335   5.934393
    15  O    7.518942   7.893974   6.842926   8.426267   6.738714
    16  N    6.715242   7.070043   6.350444   7.645288   5.576954
    17  H    7.114437   7.711119   6.557800   7.884562   5.704632
    18  C    6.951968   7.082012   6.647983   7.977186   6.236218
    19  H    6.304832   6.344355   6.145585   7.343210   5.712773
    20  H    7.981458   8.082564   7.724004   9.003727   7.179263
    21  H    7.001925   7.074025   6.570164   8.053258   6.592790
    22  C    6.551165   6.995377   6.374044   7.386585   4.993147
    23  H    7.467570   7.855712   7.371632   8.300261   5.871184
    24  H    5.684508   6.079958   5.639703   6.526419   4.199691
    25  H    6.645371   7.242523   6.414409   7.372987   4.812123
    26  C    3.908083   4.678286   2.895350   4.224505   4.005398
    27  O    4.017869   4.577142   2.942294   4.307983   4.792384
    28  N    4.714703   5.458918   3.751000   5.208966   4.312674
    29  H    3.572741   4.513192   2.752099   3.679145   3.339516
    30  C    5.236634   6.105323   4.468562   5.677797   4.081546
    31  H    6.266253   7.153567   5.469458   6.631509   5.069752
    32  H    5.437792   6.221313   4.757131   6.032652   4.120448
    33  H    4.766486   5.741964   4.145192   5.059000   3.332895
    34  C    5.661378   6.214004   4.642829   6.289142   5.526338
    35  H    6.591153   7.179729   5.545757   7.123878   6.411015
    36  H    5.394956   5.787032   4.342507   6.067794   5.736903
    37  H    6.024224   6.536390   5.097411   6.764939   5.644211
    38  C    4.837478   4.259079   4.604055   5.871603   6.097226
    39  O    4.417032   3.633485   4.451298   5.385960   5.917287
    40  N    4.728456   4.322262   4.203456   5.711762   6.044609
    41  H    5.699966   5.195227   5.464938   6.771047   6.635092
    42  C    4.044096   3.652004   3.419645   4.866340   5.759833
    43  H    3.463344   2.844410   3.097587   4.240321   5.485929
    44  H    4.947513   4.524047   4.288694   5.655019   6.766344
    45  H    3.656378   3.570273   2.802898   4.431543   5.140913
    46  C    5.784454   5.565858   5.091600   6.763777   6.730401
    47  H    6.230066   6.032820   5.624979   7.271312   6.874719
    48  H    5.562394   5.541678   4.720986   6.480258   6.329481
    49  H    6.643184   6.349516   5.930789   7.574859   7.758389
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796054   0.000000
    13  H    1.789480   1.797861   0.000000
    14  C    5.493564   5.386763   6.904209   0.000000
    15  O    6.188987   6.329140   7.740474   1.242829   0.000000
    16  N    5.382977   4.893349   6.572850   1.360710   2.314934
    17  H    5.208800   5.132422   6.571823   1.107866   2.057578
    18  C    6.144893   5.619358   7.287860   2.467229   2.859651
    19  H    5.781169   5.106569   6.756139   3.269293   3.771933
    20  H    7.146037   6.477162   8.201335   3.075540   3.413741
    21  H    6.367721   6.129571   7.679753   2.573099   2.473161
    22  C    5.009942   4.108105   5.873915   2.467039   3.636107
    23  H    5.998700   4.908016   6.692762   3.179363   4.279465
    24  H    4.388046   3.304917   5.097689   3.192988   4.277697
    25  H    4.723062   3.926007   5.590486   2.552427   3.794649
    26  C    2.958172   4.639107   4.551367   5.633020   5.767166
    27  O    3.853354   5.532846   5.322392   6.416390   6.374472
    28  N    3.263737   4.643788   5.011655   4.444595   4.547776
    29  H    2.297024   4.068658   3.684071   6.050975   6.383662
    30  C    3.101951   4.154383   4.703018   3.990774   4.402799
    31  H    4.090975   5.114952   5.582279   4.390385   4.694900
    32  H    3.317074   3.932710   4.888878   2.944472   3.512742
    33  H    2.374949   3.481793   3.784341   4.696738   5.284517
    34  C    4.550362   5.759722   6.334597   4.141646   3.843178
    35  H    5.380735   6.660550   7.134318   4.769663   4.351629
    36  H    4.820727   6.078442   6.576158   4.714755   4.303156
    37  H    4.771116   5.672821   6.543676   3.106396   2.744397
    38  C    6.035534   6.262432   7.063226   6.183915   6.080814
    39  O    6.038782   6.148947   6.780398   7.012988   7.068332
    40  N    5.743714   6.332886   7.008732   5.915789   5.652109
    41  H    6.590650   6.630192   7.655271   5.828589   5.674617
    42  C    5.375206   6.289454   6.591123   6.677082   6.469052
    43  H    5.274815   6.084057   6.230627   7.269937   7.211694
    44  H    6.319068   7.342084   7.552248   7.453848   7.100821
    45  H    4.594538   5.715994   5.958848   6.150369   5.984361
    46  C    6.270451   6.909069   7.748425   5.269553   4.735048
    47  H    6.493896   6.879228   7.943917   4.675129   4.136262
    48  H    5.718284   6.549355   7.323518   4.811874   4.253838
    49  H    7.268904   7.984569   8.751257   6.152104   5.468149
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056854   0.000000
    18  C    1.464812   3.416208   0.000000
    19  H    2.098526   4.094068   1.101517   0.000000
    20  H    2.121914   3.980017   1.102762   1.791949   0.000000
    21  H    2.102128   3.652386   1.097808   1.797124   1.797011
    22  C    1.462791   2.563204   2.491151   2.615940   2.929606
    23  H    2.114475   3.313776   2.787029   2.923950   2.806529
    24  H    2.108224   3.345035   2.745328   2.415379   3.348317
    25  H    2.104954   2.158820   3.419067   3.640314   3.880966
    26  C    6.107721   5.439433   6.799306   6.758679   7.871417
    27  O    6.873155   6.376339   7.365758   7.283414   8.453352
    28  N    5.102222   4.204753   5.918786   6.062945   6.942773
    29  H    6.407125   5.725791   7.198335   7.069616   8.258440
    30  C    4.664625   3.421963   5.770911   5.979528   6.707228
    31  H    5.271139   3.675065   6.459492   6.802025   7.320683
    32  H    3.593091   2.372087   4.769442   5.044852   5.663484
    33  H    5.143354   4.074630   6.263640   6.317196   7.205527
    34  C    5.000052   4.137938   5.640181   5.961765   6.614412
    35  H    5.795559   4.651183   6.502164   6.925720   7.412895
    36  H    5.416097   4.913525   5.798764   6.016256   6.803708
    37  H    4.051290   3.211398   4.711421   5.162527   5.631580
    38  C    5.709934   6.961400   4.940168   4.354157   5.766080
    39  O    6.403305   7.710799   5.679094   4.910823   6.485010
    40  N    5.742157   6.629413   5.194519   4.837716   6.119624
    41  H    5.276193   6.720902   4.286838   3.753427   4.983628
    42  C    6.624004   7.214183   6.318572   5.943749   7.319813
    43  H    7.058979   7.767647   6.738400   6.200866   7.733146
    44  H    7.506372   8.010296   7.159940   6.859670   8.127969
    45  H    6.244252   6.556144   6.180304   5.901992   7.238234
    46  C    5.341479   6.060115   4.803432   4.759840   5.671256
    47  H    4.630437   5.590188   3.905381   3.932543   4.686306
    48  H    5.114713   5.469732   4.877421   4.960105   5.819445
    49  H    6.301868   6.963530   5.692166   5.705336   6.470334
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390841   0.000000
    23  H    3.822021   1.102416   0.000000
    24  H    3.618260   1.102659   1.789980   0.000000
    25  H    4.181607   1.098954   1.797298   1.794107   0.000000
    26  C    6.556257   6.396484   7.498109   6.111261   6.098542
    27  O    6.980820   7.300332   8.397527   6.963231   7.124034
    28  N    5.671605   5.513847   6.605806   5.433757   5.164480
    29  H    7.110553   6.445107   7.526120   6.077334   6.054553
    30  C    5.756342   4.807580   5.856335   4.859041   4.215074
    31  H    6.413026   5.457206   6.441826   5.673532   4.744720
    32  H    4.837803   3.767521   4.807348   3.933119   3.207297
    33  H    6.382499   4.994095   6.021996   4.880400   4.343165
    34  C    5.153948   5.773899   6.817968   5.850352   5.566346
    35  H    5.982555   6.590177   7.604200   6.773380   6.280669
    36  H    5.185585   6.271251   7.310135   6.224426   6.223675
    37  H    4.229643   4.957655   5.951317   5.169862   4.811343
    38  C    4.466220   6.376721   7.059691   5.778486   7.077751
    39  O    5.390266   6.835412   7.485172   6.074379   7.533754
    40  N    4.553189   6.549709   7.365854   6.071252   7.097125
    41  H    3.770410   6.051802   6.616592   5.560877   6.861278
    42  C    5.745730   7.295608   8.211650   6.749546   7.682799
    43  H    6.301963   7.550847   8.438525   6.865978   7.959124
    44  H    6.479108   8.275707   9.190857   7.785905   8.651148
    45  H    5.649326   6.877821   7.868902   6.389467   7.122643
    46  C    3.936528   6.410961   7.214144   6.175073   6.926442
    47  H    2.981632   5.782338   6.481554   5.627874   6.406397
    48  H    4.042921   6.179118   7.076455   6.020392   6.532457
    49  H    4.742858   7.440973   8.211678   7.246736   7.960501
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242678   0.000000
    28  N    1.360840   2.314698   0.000000
    29  H    1.107887   2.057559   2.057192   0.000000
    30  C    2.465396   3.633998   1.463229   2.562109   0.000000
    31  H    3.125594   4.214837   2.116821   3.248250   1.103041
    32  H    3.238021   4.331305   2.106950   3.401910   1.101426
    33  H    2.555383   3.797829   2.103367   2.164956   1.098682
    34  C    2.462112   2.850500   1.464847   3.413229   2.496487
    35  H    3.021916   3.321165   2.123187   3.939160   2.945116
    36  H    2.583798   2.498909   2.098979   3.657891   3.389939
    37  H    3.293795   3.808475   2.098928   4.117121   2.619352
    38  C    6.043993   5.790919   6.080181   6.586742   6.918428
    39  O    6.431351   6.169295   6.658992   6.808627   7.450312
    40  N    5.130014   4.737572   5.184373   5.830470   6.213537
    41  H    6.673288   6.531952   6.499905   7.248385   7.216506
    42  C    4.446629   3.799262   4.860051   5.115895   6.059471
    43  H    4.816226   4.209696   5.401586   5.282982   6.508472
    44  H    5.008963   4.151458   5.466718   5.765559   6.777389
    45  H    3.357277   2.732454   3.809907   4.081454   5.061790
    46  C    5.242950   4.915572   4.984854   6.110868   6.005677
    47  H    5.801365   5.672630   5.342974   6.611719   6.149198
    48  H    4.346906   4.064357   4.008824   5.289293   5.094985
    49  H    5.978672   5.484634   5.772776   6.912189   6.883468
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787723   0.000000
    33  H    1.799065   1.794030   0.000000
    34  C    2.816054   2.730442   3.419778   0.000000
    35  H    2.848331   3.335866   3.902919   1.103495   0.000000
    36  H    3.844273   3.603341   4.170349   1.097146   1.796219
    37  H    2.957964   2.395679   3.632908   1.099969   1.791176
    38  C    7.879725   6.561400   7.209892   5.854448   6.852186
    39  O    8.475762   7.150125   7.570380   6.663353   7.691938
    40  N    7.098061   5.992843   6.611830   4.810791   5.738268
    41  H    8.137857   6.708914   7.594809   6.138818   7.120593
    42  C    6.933273   6.096362   6.339872   4.689843   5.548608
    43  H    7.454802   6.564044   6.616397   5.478734   6.379754
    44  H    7.559583   6.888885   7.123034   5.125335   5.834467
    45  H    5.907785   5.207038   5.349685   3.739586   4.595341
    46  C    6.741460   5.711056   6.627026   4.225817   5.033764
    47  H    6.881351   5.662929   6.802070   4.570968   5.404747
    48  H    5.763023   4.896801   5.784620   3.154270   3.938241
    49  H    7.539923   6.649310   7.551533   4.868472   5.520428
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796723   0.000000
    38  C    5.151015   5.700795   0.000000
    39  O    5.982223   6.594962   1.242548   0.000000
    40  N    3.981758   4.801172   1.362408   2.322149   0.000000
    41  H    5.523053   5.793740   1.109378   2.054556   2.057491
    42  C    3.765990   5.004970   2.472981   2.880787   1.463063
    43  H    4.639300   5.807443   2.555359   2.448054   2.100055
    44  H    4.089683   5.531002   3.177786   3.614648   2.110196
    45  H    2.862683   4.184709   3.202016   3.658241   2.108000
    46  C    3.416410   4.061199   2.469148   3.642197   1.466694
    47  H    3.967075   4.139031   2.574851   3.807989   2.107178
    48  H    2.327594   3.086085   3.263362   4.337378   2.098745
    49  H    3.966080   4.780607   3.093200   4.220561   2.127853
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419144   0.000000
    43  H    3.645664   1.096257   0.000000
    44  H    4.044110   1.102739   1.796887   0.000000
    45  H    4.047743   1.101677   1.797544   1.788258   0.000000
    46  C    2.559718   2.489428   3.413799   2.787117   2.731151
    47  H    2.200905   3.393892   4.180262   3.822972   3.614522
    48  H    3.467107   2.616523   3.632155   2.940303   2.398194
    49  H    3.149236   2.923584   3.879112   2.797650   3.319288
                   46         47         48         49
    46  C    0.000000
    47  H    1.099511   0.000000
    48  H    1.101249   1.792535   0.000000
    49  H    1.102850   1.802047   1.789135   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2174782      0.1877639      0.1834281
 Leave Link  202 at Mon Nov 14 00:19:37 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1846.9218802917 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840331156 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.7378471760 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4048
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.29D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     227
 GePol: Fraction of low-weight points (<1% of avg)   =       5.61%
 GePol: Cavity surface area                          =    467.251 Ang**2
 GePol: Cavity volume                                =    458.796 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039659541 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.7338812219 Hartrees.
 Leave Link  301 at Mon Nov 14 00:19:37 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11983 LenP2D=   37530.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:19:38 2016, MaxMem=  2952790016 cpu:        14.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:19:39 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001006    0.002041    0.000878
         Rot=    1.000000   -0.000025    0.000091   -0.000160 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50844416376    
 Leave Link  401 at Mon Nov 14 00:19:45 2016, MaxMem=  2952790016 cpu:        81.1
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49158912.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.77D-15 for   2250.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.63D-15 for   2097   1083.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.10D-15 for   2249.
 Iteration    1 A^-1*A deviation from orthogonality  is 7.40D-12 for   2862   2270.
 E= -1013.44983660959    
 DIIS: error= 4.72D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44983660959     IErMin= 1 ErrMin= 4.72D-04
 ErrMax= 4.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-04 BMatP= 3.05D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.72D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.12D-04 MaxDP=4.37D-03              OVMax= 5.49D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.12D-04    CP:  1.00D+00
 E= -1013.45029143205     Delta-E=       -0.000454822458 Rises=F Damp=F
 DIIS: error= 9.83D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45029143205     IErMin= 2 ErrMin= 9.83D-05
 ErrMax= 9.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.10D-06 BMatP= 3.05D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.377D-01 0.962D+00
 Coeff:      0.377D-01 0.962D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=2.63D-05 MaxDP=2.27D-03 DE=-4.55D-04 OVMax= 2.42D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.62D-05    CP:  1.00D+00  9.86D-01
 E= -1013.45027391346     Delta-E=        0.000017518590 Rises=F Damp=F
 DIIS: error= 2.32D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45029143205     IErMin= 2 ErrMin= 9.83D-05
 ErrMax= 2.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-05 BMatP= 8.10D-06
 IDIUse=3 WtCom= 3.97D-01 WtEn= 6.03D-01
 Coeff-Com:  0.817D-02 0.657D+00 0.335D+00
 Coeff-En:   0.000D+00 0.731D+00 0.269D+00
 Coeff:      0.324D-02 0.701D+00 0.295D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=1.48D-05 MaxDP=8.94D-04 DE= 1.75D-05 OVMax= 1.84D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.70D-06    CP:  1.00D+00  9.94D-01  5.20D-01
 E= -1013.45029801958     Delta-E=       -0.000024106123 Rises=F Damp=F
 DIIS: error= 2.95D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45029801958     IErMin= 4 ErrMin= 2.95D-05
 ErrMax= 2.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-06 BMatP= 8.10D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.574D-03 0.338D+00 0.187D+00 0.475D+00
 Coeff:      0.574D-03 0.338D+00 0.187D+00 0.475D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=4.26D-06 MaxDP=2.32D-04 DE=-2.41D-05 OVMax= 3.03D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.11D-06    CP:  1.00D+00  9.94D-01  4.65D-01  5.58D-01
 E= -1013.45029919179     Delta-E=       -0.000001172205 Rises=F Damp=F
 DIIS: error= 1.30D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45029919179     IErMin= 5 ErrMin= 1.30D-05
 ErrMax= 1.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-07 BMatP= 1.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-04 0.158D+00 0.887D-01 0.299D+00 0.455D+00
 Coeff:      0.107D-04 0.158D+00 0.887D-01 0.299D+00 0.455D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=1.15D-06 MaxDP=8.13D-05 DE=-1.17D-06 OVMax= 1.11D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.41D-07    CP:  1.00D+00  9.94D-01  4.50D-01  5.44D-01  6.34D-01
 E= -1013.45029933422     Delta-E=       -0.000000142431 Rises=F Damp=F
 DIIS: error= 3.62D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45029933422     IErMin= 6 ErrMin= 3.62D-06
 ErrMax= 3.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.25D-09 BMatP= 1.65D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.409D-05 0.716D-01 0.396D-01 0.147D+00 0.260D+00 0.482D+00
 Coeff:      0.409D-05 0.716D-01 0.396D-01 0.147D+00 0.260D+00 0.482D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=2.59D-07 MaxDP=1.74D-05 DE=-1.42D-07 OVMax= 1.61D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.99D-07    CP:  1.00D+00  9.94D-01  4.53D-01  5.53D-01  6.31D-01
                    CP:  8.28D-01
 E= -1013.45029933975     Delta-E=       -0.000000005537 Rises=F Damp=F
 DIIS: error= 7.32D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45029933975     IErMin= 7 ErrMin= 7.32D-07
 ErrMax= 7.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.09D-10 BMatP= 7.25D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.965D-05 0.147D-01 0.772D-02 0.354D-01 0.738D-01 0.261D+00
 Coeff-Com:  0.608D+00
 Coeff:     -0.965D-05 0.147D-01 0.772D-02 0.354D-01 0.738D-01 0.261D+00
 Coeff:      0.608D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=8.55D-08 MaxDP=3.96D-06 DE=-5.54D-09 OVMax= 4.19D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.13D-08    CP:  1.00D+00  9.95D-01  4.53D-01  5.57D-01  6.31D-01
                    CP:  8.08D-01  7.11D-01
 E= -1013.45029934037     Delta-E=       -0.000000000620 Rises=F Damp=F
 DIIS: error= 9.39D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45029934037     IErMin= 8 ErrMin= 9.39D-08
 ErrMax= 9.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-11 BMatP= 6.09D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.535D-05 0.266D-02 0.141D-02 0.720D-02 0.174D-01 0.749D-01
 Coeff-Com:  0.225D+00 0.671D+00
 Coeff:     -0.535D-05 0.266D-02 0.141D-02 0.720D-02 0.174D-01 0.749D-01
 Coeff:      0.225D+00 0.671D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=1.55D-08 MaxDP=7.84D-07 DE=-6.20D-10 OVMax= 9.37D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.20D-08    CP:  1.00D+00  9.95D-01  4.53D-01  5.57D-01  6.32D-01
                    CP:  8.12D-01  7.13D-01  8.39D-01
 E= -1013.45029934040     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 9.49D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45029934040     IErMin= 8 ErrMin= 9.39D-08
 ErrMax= 9.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-12 BMatP= 1.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.341D-05 0.116D-02 0.634D-03 0.334D-02 0.869D-02 0.401D-01
 Coeff-Com:  0.130D+00 0.469D+00 0.347D+00
 Coeff:     -0.341D-05 0.116D-02 0.634D-03 0.334D-02 0.869D-02 0.401D-01
 Coeff:      0.130D+00 0.469D+00 0.347D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=7.34D-09 MaxDP=4.87D-07 DE=-3.00D-11 OVMax= 6.89D-07

 Error on total polarization charges =  0.04256
 SCF Done:  E(RB97D) =  -1013.45029934     A.U. after    9 cycles
            NFock=  9  Conv=0.73D-08     -V/T= 2.0213
 KE= 9.923506998860D+02 PE=-6.024766498176D+03 EE= 2.172231617728D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.49
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:21:31 2016, MaxMem=  2952790016 cpu:      1212.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11983 LenP2D=   37530.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 00:21:40 2016, MaxMem=  2952790016 cpu:        97.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:21:40 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:22:16 2016, MaxMem=  2952790016 cpu:       440.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.62913072D+00-3.07604451D+00 3.49038345D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000689288    0.000799909    0.000143041
      2        6           0.000189837    0.000065798    0.000107323
      3        8           0.000036802   -0.000062395   -0.000003915
      4        7           0.000068957   -0.000104481    0.000093801
      5        1           0.000067173    0.000101135   -0.000219823
      6        6           0.000008957   -0.000013536   -0.000088450
      7        1           0.000025538    0.000051215   -0.000014464
      8        1          -0.000016782   -0.000024518   -0.000104587
      9        1           0.000070331   -0.000033050    0.000038004
     10        6           0.000029189   -0.000003117    0.000012923
     11        1          -0.000004442   -0.000009456   -0.000010724
     12        1           0.000027624    0.000008325    0.000020157
     13        1           0.000042322   -0.000000967    0.000003041
     14        6          -0.000037570    0.000001331    0.000008374
     15        8          -0.000028619   -0.000003106   -0.000015370
     16        7          -0.000086089    0.000019701   -0.000034291
     17        1          -0.000029671   -0.000004674   -0.000012382
     18        6          -0.000068129    0.000111701    0.000017437
     19        1          -0.000044881    0.000097015   -0.000032140
     20        1          -0.000028690    0.000021124   -0.000039016
     21        1          -0.000025606   -0.000023593   -0.000015805
     22        6          -0.000007315    0.000031886   -0.000049539
     23        1          -0.000022992    0.000025477   -0.000003818
     24        1           0.000005992    0.000022836   -0.000024328
     25        1          -0.000006640   -0.000012938   -0.000028412
     26        6           0.000008113   -0.000007009    0.000010671
     27        8           0.000062168   -0.000068916    0.000022910
     28        7          -0.000007494   -0.000044850   -0.000023312
     29        1          -0.000010733   -0.000019646    0.000023392
     30        6          -0.000002118    0.000011249    0.000019386
     31        1          -0.000013535   -0.000039908   -0.000005945
     32        1          -0.000022135   -0.000017243   -0.000003296
     33        1          -0.000013482   -0.000010336    0.000018643
     34        6          -0.000017163   -0.000048273   -0.000029348
     35        1          -0.000029284   -0.000030719    0.000019771
     36        1          -0.000001262   -0.000019298    0.000036974
     37        1          -0.000029601   -0.000012772   -0.000004352
     38        6           0.000110609   -0.000898899   -0.000407371
     39        8           0.000205617    0.000189818    0.000891799
     40        7          -0.000067561   -0.000017842   -0.000763446
     41        1           0.000272490   -0.000264371    0.000508050
     42        6           0.000008084    0.000658052   -0.000237565
     43        1          -0.000179639   -0.000076606   -0.000128302
     44        1           0.000202934   -0.000004527    0.000133664
     45        1          -0.000182120   -0.000212427    0.000317118
     46        6          -0.000560842    0.000479745   -0.000364022
     47        1          -0.000212423   -0.000002686    0.000461334
     48        1          -0.000484156   -0.000659950   -0.000148380
     49        1           0.000108950    0.000055793   -0.000095413
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000898899 RMS     0.000213127
 Leave Link  716 at Mon Nov 14 00:22:17 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000688972 RMS     0.000068708
 Search for a local minimum.
 Step number   2 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .68708D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    1    2
 DE= -2.21D-04 DEPred=-2.17D-04 R= 1.02D+00
 TightC=F SS=  1.41D+00  RLast= 1.34D-01 DXNew= 5.0454D-01 4.0283D-01
 Trust test= 1.02D+00 RLast= 1.34D-01 DXMaxT set to 4.03D-01
 ITU=  1  0
     Eigenvalues ---    0.00343   0.00359   0.00372   0.00384   0.00536
     Eigenvalues ---    0.00685   0.00706   0.00761   0.00772   0.00872
     Eigenvalues ---    0.00884   0.00907   0.01010   0.01021   0.01033
     Eigenvalues ---    0.01057   0.01225   0.01348   0.01357   0.01380
     Eigenvalues ---    0.01393   0.01505   0.01526   0.01534   0.01607
     Eigenvalues ---    0.01772   0.01776   0.01802   0.01858   0.01890
     Eigenvalues ---    0.01948   0.02008   0.02058   0.02111   0.02144
     Eigenvalues ---    0.02209   0.02262   0.02584   0.02829   0.02910
     Eigenvalues ---    0.03310   0.03621   0.04065   0.04195   0.04304
     Eigenvalues ---    0.04666   0.05038   0.05237   0.05645   0.05769
     Eigenvalues ---    0.06045   0.06072   0.06117   0.06314   0.07550
     Eigenvalues ---    0.07590   0.07716   0.07854   0.07959   0.08002
     Eigenvalues ---    0.08050   0.08148   0.08443   0.08507   0.08595
     Eigenvalues ---    0.08667   0.08729   0.08790   0.08979   0.09135
     Eigenvalues ---    0.09171   0.09673   0.09799   0.09945   0.10000
     Eigenvalues ---    0.10064   0.10280   0.10452   0.10518   0.10537
     Eigenvalues ---    0.10572   0.10692   0.10762   0.11267   0.11337
     Eigenvalues ---    0.11511   0.11592   0.11841   0.12726   0.13243
     Eigenvalues ---    0.13876   0.14429   0.14744   0.15128   0.15330
     Eigenvalues ---    0.15704   0.16641   0.22098   0.23257   0.23721
     Eigenvalues ---    0.24040   0.24712   0.25075   0.25246   0.26501
     Eigenvalues ---    0.26884   0.27498   0.28014   0.29238   0.29786
     Eigenvalues ---    0.29910   0.29963   0.32702   0.32725   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33379
     Eigenvalues ---    0.33384   0.33390   0.33416   0.33425   0.33687
     Eigenvalues ---    0.33792   0.33829   0.33830   0.33892   0.33915
     Eigenvalues ---    0.33942   0.33972   0.33998   0.37073   0.39495
     Eigenvalues ---    0.40130   0.40793   0.85942   0.85984   0.85999
     Eigenvalues ---    0.86100
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     2    1
 RFO step:  Lambda=-1.45979919D-05.
 NNeg= 0 NP= 2 Switch=  2.50D-03 Rises=F DC=  2.21D-04 SmlDif=  1.00D-05
 RMS Error=  0.2800583073D-03 NUsed= 2 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.04281   -0.04281
 Iteration  1 RMS(Cart)=  0.00225791 RMS(Int)=  0.00001015
 Iteration  2 RMS(Cart)=  0.00000969 RMS(Int)=  0.00000484
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000484
 ITry= 1 IFail=0 DXMaxC= 2.54D-02 DCOld= 1.00D+10 DXMaxT= 4.03D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.67790   0.00009   0.00044   0.00618   0.00662   6.68452
    R2        6.20822   0.00004   0.00015   0.00157   0.00173   6.20995
    R3        6.94728   0.00009   0.00015   0.00275   0.00290   6.95018
    R4        6.00730   0.00001   0.00009   0.00168   0.00177   6.00907
    R5        6.60750  -0.00006  -0.00001  -0.00039  -0.00040   6.60710
    R6        5.97317  -0.00004  -0.00007  -0.00110  -0.00118   5.97199
    R7        6.71796   0.00001  -0.00001  -0.00018  -0.00019   6.71777
    R8        6.22353  -0.00001  -0.00003  -0.00031  -0.00035   6.22318
    R9        6.63827  -0.00001  -0.00011  -0.00126  -0.00138   6.63690
   R10        6.04901  -0.00002  -0.00015  -0.00181  -0.00196   6.04705
   R11        6.97239   0.00000   0.00000   0.00012   0.00012   6.97251
   R12        6.02784   0.00000   0.00000   0.00005   0.00005   6.02789
   R13        6.91446   0.00002   0.00003   0.00156   0.00159   6.91604
   R14        6.19891   0.00001   0.00002   0.00039   0.00041   6.19932
   R15        6.86232  -0.00002  -0.00002  -0.00057  -0.00059   6.86172
   R16        5.95479  -0.00002  -0.00003  -0.00086  -0.00089   5.95390
   R17        6.70574   0.00003   0.00005   0.00064   0.00069   6.70643
   R18        6.67124  -0.00032   0.00233  -0.00433  -0.00199   6.66925
   R19        6.22632  -0.00004   0.00015  -0.00303  -0.00290   6.22343
   R20        6.97539   0.00008  -0.00066  -0.00146  -0.00213   6.97326
   R21        6.07207  -0.00005  -0.00086  -0.00035  -0.00122   6.07086
   R22        6.67093   0.00009   0.00031   0.01231   0.01258   6.68351
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   R25        2.57370  -0.00008   0.00002  -0.00004  -0.00002   2.57367
   R26        2.09410   0.00000  -0.00006  -0.00018  -0.00025   2.09386
   R27        2.76639  -0.00005   0.00002   0.00000   0.00002   2.76641
   R28        2.76784  -0.00003  -0.00001  -0.00014  -0.00015   2.76769
   R29        2.07570   0.00003  -0.00002   0.00003   0.00001   2.07571
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   R38        2.76809   0.00004  -0.00001   0.00002   0.00001   2.76810
   R39        2.76428   0.00000   0.00000   0.00001   0.00001   2.76428
   R40        2.08156   0.00001   0.00001   0.00010   0.00011   2.08168
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   R50        2.76816   0.00002   0.00000  -0.00002  -0.00002   2.76814
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   R59        2.09642   0.00011   0.00005   0.00050   0.00054   2.09696
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   R61        2.77165  -0.00014   0.00014  -0.00052  -0.00038   2.77127
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   A13        1.93607  -0.00007  -0.00003  -0.00062  -0.00065   1.93543
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   A16        1.47365   0.00016   0.00014   0.00205   0.00220   1.47585
   A17        1.73620   0.00001  -0.00002   0.00056   0.00053   1.73673
   A18        1.60750  -0.00001  -0.00002  -0.00051  -0.00053   1.60696
   A19        1.69360   0.00005   0.00004   0.00034   0.00037   1.69397
   A20        2.15767  -0.00002  -0.00001  -0.00012  -0.00013   2.15754
   A21        2.36083   0.00008   0.00005   0.00123   0.00128   2.36210
   A22        0.66356  -0.00002  -0.00001  -0.00026  -0.00027   0.66328
   A23        0.66336  -0.00001   0.00000  -0.00008  -0.00008   0.66328
   A24        2.38525  -0.00001   0.00000  -0.00010  -0.00010   2.38515
   A25        2.19295   0.00000   0.00000  -0.00008  -0.00009   2.19286
   A26        2.27884   0.00001   0.00000  -0.00005  -0.00005   2.27879
   A27        2.01109   0.00001  -0.00001  -0.00013  -0.00014   2.01095
   A28        1.78779   0.00000   0.00000  -0.00008  -0.00008   1.78771
   A29        1.53855   0.00000  -0.00001  -0.00012  -0.00013   1.53842
   A30        1.35492  -0.00003   0.00001   0.00004   0.00005   1.35497
   A31        1.65277  -0.00003   0.00000  -0.00008  -0.00007   1.65270
   A32        1.60181  -0.00005   0.00000  -0.00016  -0.00016   1.60165
   A33        1.75495  -0.00004   0.00000  -0.00013  -0.00013   1.75482
   A34        2.04801  -0.00003   0.00000  -0.00007  -0.00007   2.04794
   A35        1.67056   0.00014   0.00012   0.00195   0.00207   1.67264
   A36        1.80715   0.00000  -0.00003   0.00021   0.00019   1.80733
   A37        1.53952  -0.00001  -0.00003  -0.00056  -0.00060   1.53892
   A38        1.51848   0.00006   0.00003   0.00039   0.00042   1.51889
   A39        2.22059  -0.00001  -0.00004  -0.00063  -0.00067   2.21992
   A40        2.28008   0.00011   0.00008   0.00177   0.00185   2.28193
   A41        0.70817  -0.00001  -0.00001  -0.00016  -0.00017   0.70800
   A42        0.77605  -0.00001  -0.00001  -0.00017  -0.00019   0.77586
   A43        2.68798  -0.00001   0.00000  -0.00011  -0.00011   2.68787
   A44        2.59866  -0.00001  -0.00001  -0.00025  -0.00026   2.59840
   A45        2.62627  -0.00001  -0.00001  -0.00027  -0.00028   2.62599
   A46        2.31766  -0.00001  -0.00002  -0.00034  -0.00036   2.31731
   A47        2.19198  -0.00001  -0.00001  -0.00024  -0.00025   2.19174
   A48        1.94731  -0.00002  -0.00001  -0.00031  -0.00032   1.94699
   A49        1.12375  -0.00001   0.00001   0.00023   0.00024   1.12399
   A50        1.48580  -0.00002   0.00000   0.00010   0.00011   1.48591
   A51        1.59776  -0.00004   0.00000  -0.00003  -0.00003   1.59773
   A52        1.83831  -0.00004   0.00000  -0.00004  -0.00004   1.83827
   A53        1.80062  -0.00001   0.00001   0.00018   0.00019   1.80081
   A54        1.47135   0.00012   0.00011   0.00202   0.00214   1.47349
   A55        1.48760   0.00001  -0.00001   0.00026   0.00026   1.48786
   A56        1.16210   0.00000  -0.00003  -0.00036  -0.00038   1.16172
   A57        1.11162   0.00007   0.00003   0.00057   0.00061   1.11223
   A58        1.86324   0.00001  -0.00003  -0.00055  -0.00058   1.86266
   A59        1.87583   0.00013   0.00008   0.00201   0.00210   1.87793
   A60        0.84026  -0.00001   0.00000  -0.00009  -0.00009   0.84017
   A61        0.78253   0.00000   0.00000  -0.00001  -0.00001   0.78251
   A62        2.60205   0.00001   0.00001   0.00038   0.00040   2.60245
   A63        2.75286   0.00000   0.00000   0.00008   0.00008   2.75294
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   A65        2.37581  -0.00001   0.00000  -0.00005  -0.00005   2.37576
   A66        2.17527  -0.00002  -0.00001  -0.00025  -0.00026   2.17501
   A67        0.86380   0.00001   0.00002   0.00052   0.00054   0.86435
   A68        1.23887   0.00000   0.00002   0.00042   0.00043   1.23931
   A69        1.42630  -0.00002   0.00001   0.00034   0.00035   1.42665
   A70        1.70069  -0.00002   0.00001   0.00034   0.00035   1.70104
   A71        1.52017   0.00001   0.00002   0.00044   0.00046   1.52063
   A72        1.50967   0.00007   0.00008   0.00158   0.00165   1.51133
   A73        1.41297   0.00000  -0.00001  -0.00003  -0.00003   1.41294
   A74        1.03224  -0.00001  -0.00003  -0.00041  -0.00044   1.03180
   A75        0.90778   0.00007   0.00002   0.00050   0.00052   0.90830
   A76        1.72094   0.00002  -0.00003  -0.00069  -0.00073   1.72022
   A77        1.66166   0.00014   0.00009   0.00211   0.00220   1.66386
   A78        2.00034  -0.00001   0.00000  -0.00004  -0.00004   2.00030
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   A80        2.19337   0.00001   0.00000   0.00008   0.00009   2.19345
   A81        2.04209   0.00001  -0.00001   0.00001   0.00000   2.04209
   A82        1.53561   0.00000   0.00000   0.00003   0.00003   1.53565
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   A84        1.18744  -0.00003   0.00001  -0.00005  -0.00005   1.18739
   A85        1.37836  -0.00003   0.00000  -0.00013  -0.00013   1.37823
   A86        1.21887  -0.00005   0.00000  -0.00019  -0.00019   1.21868
   A87        1.33363  -0.00004   0.00000  -0.00013  -0.00013   1.33350
   A88        1.80350  -0.00003   0.00000  -0.00018  -0.00018   1.80332
   A89        2.10114   0.00014   0.00012   0.00194   0.00206   2.10319
   A90        2.19443   0.00000  -0.00002   0.00013   0.00011   2.19453
   A91        1.85851  -0.00001  -0.00004  -0.00049  -0.00053   1.85799
   A92        1.74427   0.00006   0.00002   0.00037   0.00038   1.74465
   A93        2.55877   0.00001  -0.00004  -0.00075  -0.00079   2.55798
   A94        2.46395   0.00012   0.00009   0.00197   0.00206   2.46602
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   A96        1.97245   0.00001   0.00001   0.00015   0.00016   1.97261
   A97        2.33889   0.00001   0.00001   0.00023   0.00024   2.33913
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   A99        1.63494   0.00000   0.00001   0.00018   0.00019   1.63513
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   A110       2.42761   0.00003  -0.00003  -0.00076  -0.00080   2.42682
   A111       2.22602   0.00012   0.00009   0.00180   0.00189   2.22792
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   A182       2.42352   0.00000  -0.00003   0.00013   0.00010   2.42362
   A183       2.74896   0.00000  -0.00001  -0.00049  -0.00050   2.74845
   A184       2.32958  -0.00002   0.00003   0.00071   0.00074   2.33033
   A185       2.44623  -0.00012  -0.00008  -0.00186  -0.00195   2.44429
   A186       0.68991  -0.00002   0.00000  -0.00007  -0.00007   0.68984
   A187       0.98062  -0.00002   0.00000  -0.00007  -0.00007   0.98055
   A188       0.69660   0.00000   0.00000  -0.00010  -0.00010   0.69650
   A189       1.99694   0.00000   0.00001   0.00095   0.00095   1.99789
   A190       1.65688   0.00002   0.00003  -0.00003   0.00000   1.65688
   A191       1.29943   0.00001  -0.00001   0.00034   0.00033   1.29976
   A192       1.01325   0.00004  -0.00002   0.00036   0.00034   1.01359
   A193       1.63428   0.00007  -0.00001  -0.00035  -0.00037   1.63391
   A194       1.36436   0.00013   0.00008   0.00175   0.00184   1.36620
   A195       0.66636  -0.00001   0.00000   0.00001   0.00001   0.66637
   A196       2.20616  -0.00005  -0.00004   0.00024   0.00019   2.20635
   A197       1.81666   0.00002   0.00005  -0.00009  -0.00005   1.81662
   A198       1.53918   0.00001   0.00001   0.00049   0.00050   1.53968
   A199       1.25387   0.00001  -0.00002   0.00022   0.00019   1.25406
   A200       1.64109   0.00007   0.00001  -0.00006  -0.00006   1.64103
   A201       1.33049   0.00009   0.00006   0.00128   0.00136   1.33185
   A202       0.70988   0.00000   0.00000  -0.00003  -0.00003   0.70986
   A203       2.61881  -0.00006  -0.00004   0.00016   0.00011   2.61892
   A204       2.22518   0.00002   0.00005  -0.00006  -0.00001   2.22517
   A205       1.94924   0.00001   0.00000   0.00048   0.00048   1.94973
   A206       1.66134   0.00001  -0.00002   0.00026   0.00025   1.66159
   A207       1.98931   0.00008   0.00002   0.00017   0.00019   1.98950
   A208       1.67569   0.00007   0.00005   0.00094   0.00100   1.67669
   A209       0.83160  -0.00001   0.00000  -0.00008  -0.00008   0.83152
   A210       2.76133  -0.00010  -0.00010  -0.00098  -0.00108   2.76025
   A211       2.38702   0.00002   0.00005  -0.00011  -0.00005   2.38697
   A212       2.19578   0.00001   0.00001   0.00057   0.00059   2.19637
   A213       1.91633   0.00000  -0.00002   0.00020   0.00018   1.91651
   A214       2.04833   0.00007   0.00003   0.00036   0.00039   2.04872
   A215       1.75556   0.00003   0.00003   0.00035   0.00038   1.75594
   A216       1.94764  -0.00008  -0.00007  -0.00041  -0.00049   1.94715
   A217       1.55779   0.00003   0.00006  -0.00003   0.00003   1.55782
   A218       1.40891   0.00002   0.00003   0.00079   0.00081   1.40972
   A219       1.16833  -0.00001  -0.00002   0.00013   0.00011   1.16843
   A220       1.27946   0.00008   0.00002   0.00019   0.00021   1.27967
   A221       0.96588   0.00007   0.00005   0.00095   0.00101   0.96689
   A222       0.69768  -0.00002   0.00001   0.00056   0.00057   0.69825
   A223       0.98543  -0.00004   0.00002   0.00050   0.00051   0.98595
   A224       0.71454  -0.00018  -0.00013  -0.00153  -0.00167   0.71287
   A225       1.00619  -0.00013  -0.00012  -0.00128  -0.00141   1.00478
   A226       0.65925  -0.00003   0.00003  -0.00040  -0.00037   0.65889
   A227       0.65620   0.00003   0.00005   0.00002   0.00006   0.65626
   A228       0.70255   0.00001   0.00000  -0.00022  -0.00023   0.70233
   A229       0.76548   0.00010   0.00009   0.00202   0.00210   0.76759
   A230       0.82899  -0.00004  -0.00004  -0.00110  -0.00114   0.82784
   A231       0.76480   0.00006   0.00005   0.00147   0.00153   0.76632
   A232       1.70944  -0.00005  -0.00003  -0.00037  -0.00040   1.70904
   A233       1.78034   0.00018   0.00012   0.00299   0.00312   1.78346
   A234       2.19176  -0.00002  -0.00002  -0.00024  -0.00026   2.19150
   A235       2.12911  -0.00003   0.00001   0.00010   0.00011   2.12921
   A236       1.96209   0.00005   0.00001   0.00016   0.00017   1.96227
   A237       2.12341   0.00000   0.00004   0.00025   0.00029   2.12370
   A238       2.12267  -0.00002  -0.00002  -0.00027  -0.00029   2.12238
   A239       2.03651   0.00002  -0.00001   0.00009   0.00008   2.03658
   A240       1.71258   0.00006   0.00004   0.00080   0.00084   1.71342
   A241       2.65045  -0.00006  -0.00004  -0.00084  -0.00088   2.64957
   A242       1.91229   0.00004   0.00001   0.00004   0.00005   1.91234
   A243       1.91404  -0.00003   0.00001  -0.00034  -0.00034   1.91370
   A244       1.92468  -0.00001  -0.00001   0.00002   0.00001   1.92469
   A245       1.90716  -0.00001  -0.00001   0.00005   0.00004   1.90720
   A246       1.91142   0.00000  -0.00001   0.00006   0.00005   1.91148
   A247       1.89407   0.00002   0.00001   0.00017   0.00018   1.89426
   A248       1.37255  -0.00002  -0.00001  -0.00023  -0.00024   1.37232
   A249       1.90635   0.00001   0.00001   0.00004   0.00006   1.90641
   A250       1.90782   0.00001   0.00000   0.00004   0.00004   1.90786
   A251       1.93075  -0.00002  -0.00001   0.00000   0.00000   1.93075
   A252       1.91147   0.00001   0.00001   0.00003   0.00003   1.91151
   A253       1.89507  -0.00001  -0.00001   0.00001   0.00000   1.89507
   A254       1.91225   0.00000  -0.00001  -0.00012  -0.00013   1.91212
   A255       1.71693   0.00000   0.00000  -0.00007  -0.00007   1.71686
   A256       1.78085   0.00001   0.00000   0.00009   0.00009   1.78094
   A257       2.18991  -0.00001  -0.00001   0.00000  -0.00002   2.18989
   A258       2.13031   0.00000   0.00001   0.00002   0.00003   2.13034
   A259       1.96277   0.00001   0.00000  -0.00002  -0.00001   1.96275
   A260       2.12268  -0.00001   0.00000   0.00002   0.00002   2.12269
   A261       2.12500  -0.00002   0.00001  -0.00001   0.00000   2.12500
   A262       2.03546   0.00003   0.00000  -0.00002  -0.00002   2.03544
   A263       1.34884   0.00001   0.00000   0.00012   0.00012   1.34896
   A264       1.90050   0.00000  -0.00001  -0.00011  -0.00013   1.90038
   A265       1.93168   0.00001   0.00001   0.00010   0.00011   1.93179
   A266       1.90932   0.00001  -0.00001  -0.00006  -0.00007   1.90926
   A267       1.89837   0.00000   0.00000  -0.00006  -0.00006   1.89831
   A268       1.91281   0.00001   0.00003   0.00030   0.00033   1.91314
   A269       1.91103  -0.00002  -0.00001  -0.00017  -0.00018   1.91085
   A270       2.64214  -0.00002  -0.00001  -0.00034  -0.00035   2.64179
   A271       1.72199   0.00002   0.00001   0.00036   0.00037   1.72236
   A272       1.92410  -0.00001   0.00000  -0.00011  -0.00011   1.92400
   A273       1.91514  -0.00001   0.00000   0.00005   0.00005   1.91519
   A274       1.91449   0.00003  -0.00001   0.00001   0.00001   1.91450
   A275       1.89430  -0.00001   0.00000   0.00009   0.00009   1.89439
   A276       1.91045   0.00000   0.00000   0.00001   0.00001   1.91047
   A277       1.90513   0.00000  -0.00001  -0.00005  -0.00006   1.90508
   A278       1.82199   0.00005   0.00001   0.00061   0.00062   1.82262
   A279       1.74583  -0.00002  -0.00001  -0.00024  -0.00024   1.74558
   A280       2.18954   0.00001   0.00000  -0.00007  -0.00007   2.18947
   A281       2.13048  -0.00001   0.00000   0.00006   0.00006   2.13054
   A282       1.96307   0.00000   0.00000   0.00001   0.00001   1.96309
   A283       2.12188  -0.00005   0.00000  -0.00007  -0.00007   2.12181
   A284       2.11506   0.00002   0.00000   0.00012   0.00012   2.11518
   A285       2.04189   0.00002   0.00000  -0.00008  -0.00008   2.04181
   A286       2.70705   0.00001   0.00001   0.00017   0.00018   2.70723
   A287       1.65167  -0.00001  -0.00001  -0.00022  -0.00023   1.65144
   A288       1.92618  -0.00001   0.00000   0.00004   0.00004   1.92622
   A289       1.91413  -0.00002   0.00000   0.00001   0.00001   1.91415
   A290       1.91204   0.00001   0.00000   0.00001   0.00001   1.91205
   A291       1.89156   0.00000   0.00000  -0.00004  -0.00004   1.89152
   A292       1.91278   0.00000   0.00000  -0.00003  -0.00003   1.91275
   A293       1.90693   0.00002   0.00000   0.00001   0.00001   1.90694
   A294       1.36698   0.00003   0.00001   0.00040   0.00041   1.36739
   A295       1.14411  -0.00001   0.00000  -0.00022  -0.00022   1.14389
   A296       1.93264   0.00000   0.00000  -0.00006  -0.00006   1.93258
   A297       1.90561   0.00001   0.00000   0.00005   0.00004   1.90566
   A298       1.90261  -0.00001  -0.00001  -0.00004  -0.00004   1.90257
   A299       1.90969  -0.00001   0.00001   0.00002   0.00003   1.90972
   A300       1.89820   0.00000   0.00000  -0.00006  -0.00006   1.89813
   A301       1.91503   0.00001   0.00001   0.00009   0.00009   1.91513
   A302       1.82900   0.00014  -0.00039   0.00228   0.00192   1.83093
   A303       1.63420  -0.00011  -0.00085  -0.00275  -0.00361   1.63059
   A304       2.19993  -0.00024   0.00031  -0.00157  -0.00127   2.19865
   A305       2.12316   0.00010  -0.00018   0.00426   0.00406   2.12722
   A306       1.95977   0.00014  -0.00013  -0.00264  -0.00280   1.95697
   A307       2.13118   0.00026   0.00030   0.00251   0.00281   2.13399
   A308       2.12093  -0.00037  -0.00012  -0.00359  -0.00372   2.11720
   A309       2.03085   0.00011  -0.00016   0.00123   0.00104   2.03189
   A310       1.69594  -0.00010  -0.00003  -0.00205  -0.00207   1.69386
   A311       2.66846  -0.00001  -0.00010   0.00044   0.00033   2.66879
   A312       1.91018  -0.00004  -0.00024  -0.00065  -0.00088   1.90930
   A313       1.91746   0.00002  -0.00025   0.00004  -0.00021   1.91725
   A314       1.91553  -0.00021   0.00006  -0.00272  -0.00266   1.91287
   A315       1.91286   0.00011   0.00015   0.00170   0.00185   1.91470
   A316       1.91527   0.00016   0.00031   0.00326   0.00357   1.91884
   A317       1.89246  -0.00004  -0.00003  -0.00161  -0.00165   1.89081
   A318       1.35475   0.00035   0.00042   0.00951   0.00991   1.36466
   A319       1.91227   0.00023   0.00010   0.00104   0.00115   1.91342
   A320       1.89883   0.00015  -0.00010  -0.00113  -0.00127   1.89756
   A321       1.93763  -0.00009   0.00032   0.00119   0.00150   1.93912
   A322       1.90376  -0.00016  -0.00037  -0.00367  -0.00403   1.89973
   A323       1.91666  -0.00017   0.00017   0.00187   0.00203   1.91870
   A324       1.89422   0.00004  -0.00013   0.00057   0.00046   1.89468
   A325       2.91941  -0.00002  -0.00001  -0.00041  -0.00042   2.91899
   A326       3.31160   0.00005   0.00003   0.00020   0.00022   3.31183
   A327       3.02835   0.00005   0.00003   0.00021   0.00024   3.02858
   A328       3.28480  -0.00002  -0.00002  -0.00035  -0.00037   3.28443
   A329       3.25987   0.00000  -0.00001  -0.00005  -0.00006   3.25981
   A330       3.27666   0.00002   0.00002   0.00043   0.00045   3.27711
   A331       3.27142   0.00018   0.00058   0.01138   0.01194   3.28336
   A332       3.20492   0.00002   0.00002   0.00052   0.00054   3.20546
   A333       3.12613  -0.00003   0.00001  -0.00032  -0.00031   3.12582
   A334       3.07660  -0.00003   0.00001  -0.00034  -0.00033   3.07627
   A335       3.22469   0.00002   0.00005   0.00062   0.00067   3.22536
   A336       3.07498  -0.00001  -0.00003  -0.00041  -0.00044   3.07454
   A337       3.10166   0.00000   0.00001  -0.00008  -0.00007   3.10159
   A338       3.07164   0.00004  -0.00068  -0.00196  -0.00265   3.06899
    D1        2.74005   0.00000  -0.00001  -0.00005  -0.00006   2.73999
    D2       -1.35788   0.00000   0.00002   0.00089   0.00091  -1.35696
    D3        2.71005   0.00001  -0.00001   0.00009   0.00008   2.71013
    D4       -1.38787   0.00001   0.00003   0.00103   0.00106  -1.38682
    D5        1.61498  -0.00002  -0.00003  -0.00039  -0.00042   1.61456
    D6       -2.48295  -0.00002   0.00000   0.00055   0.00056  -2.48239
    D7        1.76907  -0.00001  -0.00003  -0.00023  -0.00026   1.76881
    D8       -2.32885  -0.00001   0.00001   0.00071   0.00072  -2.32814
    D9        0.23092   0.00001  -0.00001  -0.00005  -0.00006   0.23086
   D10        2.41619   0.00002   0.00002   0.00089   0.00091   2.41710
   D11       -0.03376  -0.00001  -0.00003  -0.00030  -0.00033  -0.03409
   D12        2.15150   0.00000   0.00001   0.00064   0.00065   2.15215
   D13       -0.49487  -0.00002  -0.00003  -0.00043  -0.00046  -0.49533
   D14        1.69039  -0.00001   0.00000   0.00051   0.00051   1.69091
   D15       -0.61537  -0.00003  -0.00004  -0.00054  -0.00058  -0.61595
   D16        1.56989  -0.00002   0.00000   0.00040   0.00039   1.57029
   D17        0.15211  -0.00001  -0.00004  -0.00052  -0.00056   0.15155
   D18        2.33737  -0.00001   0.00000   0.00042   0.00041   2.33779
   D19        0.10258  -0.00002  -0.00004  -0.00054  -0.00058   0.10200
   D20        2.28784  -0.00001   0.00000   0.00040   0.00039   2.28824
   D21        2.28462  -0.00003  -0.00004  -0.00060  -0.00064   2.28398
   D22       -1.81331  -0.00002   0.00000   0.00034   0.00033  -1.81297
   D23        2.03218  -0.00002  -0.00004  -0.00063  -0.00067   2.03151
   D24       -2.06574  -0.00002  -0.00001   0.00031   0.00030  -2.06544
   D25        1.59312   0.00000  -0.00004  -0.00052  -0.00056   1.59256
   D26       -2.50480   0.00000   0.00000   0.00042   0.00042  -2.50438
   D27        1.28534   0.00001  -0.00003  -0.00043  -0.00047   1.28487
   D28       -2.81258   0.00001   0.00000   0.00051   0.00051  -2.81208
   D29        2.22411  -0.00005  -0.00007  -0.00106  -0.00112   2.22299
   D30       -1.87381  -0.00005  -0.00003  -0.00012  -0.00015  -1.87396
   D31       -2.01138   0.00000  -0.00001   0.00069   0.00067  -2.01071
   D32        0.17388   0.00000   0.00003   0.00163   0.00165   0.17553
   D33       -2.30893  -0.00001  -0.00001  -0.00058  -0.00059  -2.30952
   D34       -0.12367  -0.00001   0.00003   0.00036   0.00038  -0.12329
   D35       -2.69694  -0.00002  -0.00005  -0.00035  -0.00039  -2.69734
   D36       -0.51168  -0.00001  -0.00001   0.00059   0.00058  -0.51110
   D37       -2.97402   0.00001  -0.00005  -0.00021  -0.00025  -2.97427
   D38       -0.78875   0.00002  -0.00001   0.00073   0.00072  -0.78803
   D39       -2.22957   0.00002  -0.00006  -0.00130  -0.00137  -2.23094
   D40       -0.04431   0.00002  -0.00003  -0.00036  -0.00040  -0.04471
   D41       -2.54256   0.00011   0.00006   0.00166   0.00174  -2.54082
   D42       -0.35730   0.00012   0.00010   0.00260   0.00271  -0.35458
   D43        1.34689   0.00002   0.00003   0.00005   0.00008   1.34697
   D44       -1.98255   0.00002   0.00002   0.00039   0.00042  -1.98214
   D45        2.49488   0.00001   0.00000  -0.00025  -0.00025   2.49463
   D46       -0.83456   0.00001  -0.00001   0.00009   0.00008  -0.83448
   D47        2.95534   0.00001   0.00000  -0.00019  -0.00019   2.95515
   D48       -0.37411   0.00001   0.00000   0.00015   0.00015  -0.37396
   D49        2.85969  -0.00003  -0.00002  -0.00112  -0.00114   2.85855
   D50       -0.46976  -0.00002  -0.00002  -0.00077  -0.00080  -0.47056
   D51        2.03838  -0.00001  -0.00001  -0.00082  -0.00083   2.03755
   D52       -1.29107  -0.00001  -0.00001  -0.00048  -0.00049  -1.29156
   D53        1.16920   0.00000  -0.00001  -0.00058  -0.00058   1.16862
   D54       -2.16025   0.00000  -0.00001  -0.00023  -0.00024  -2.16049
   D55        1.05426  -0.00001   0.00000  -0.00054  -0.00054   1.05372
   D56       -2.27519  -0.00001  -0.00001  -0.00019  -0.00020  -2.27539
   D57        2.04906   0.00000  -0.00001  -0.00074  -0.00075   2.04831
   D58       -1.28039   0.00000  -0.00002  -0.00039  -0.00041  -1.28080
   D59        1.87630   0.00000   0.00000  -0.00056  -0.00057   1.87574
   D60       -1.45314   0.00000  -0.00001  -0.00022  -0.00023  -1.45337
   D61       -2.29546  -0.00001   0.00000  -0.00054  -0.00053  -2.29600
   D62        0.65827  -0.00001   0.00000  -0.00019  -0.00020   0.65808
   D63       -2.41437  -0.00002   0.00000  -0.00060  -0.00061  -2.41498
   D64        0.53937  -0.00001  -0.00001  -0.00026  -0.00027   0.53910
   D65       -2.81388  -0.00002  -0.00001  -0.00067  -0.00068  -2.81456
   D66        0.13986  -0.00002  -0.00001  -0.00033  -0.00034   0.13952
   D67       -2.98535  -0.00002  -0.00001  -0.00070  -0.00071  -2.98606
   D68       -0.03161  -0.00001  -0.00001  -0.00036  -0.00037  -0.03198
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   D71       -0.19119  -0.00009  -0.00006  -0.00075  -0.00082  -0.19202
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   D81       -1.12450   0.00005   0.00005   0.00044   0.00050  -1.12400
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   D286       1.62889   0.00003   0.00001   0.00020   0.00021   1.62909
   D287      -2.59136   0.00003   0.00001   0.00015   0.00016  -2.59120
   D288       1.28056   0.00003   0.00001   0.00024   0.00025   1.28081
   D289      -2.93968   0.00003   0.00002   0.00019   0.00021  -2.93948
   D290       1.21170   0.00002   0.00000  -0.00005  -0.00005   1.21164
   D291      -3.00855   0.00002   0.00000  -0.00010  -0.00009  -3.00865
   D292       2.00899   0.00002   0.00000   0.00007   0.00008   2.00907
   D293      -2.21126   0.00002   0.00001   0.00003   0.00004  -2.21122
   D294       1.99542   0.00001   0.00000  -0.00010  -0.00010   1.99532
   D295      -2.22482   0.00001   0.00000  -0.00014  -0.00014  -2.22496
   D296      -2.32258   0.00002   0.00001   0.00007   0.00008  -2.32250
   D297      -0.25964   0.00002   0.00001   0.00003   0.00004  -0.25960
   D298      -2.31897   0.00002   0.00000   0.00005   0.00006  -2.31892
   D299      -0.25603   0.00002   0.00001   0.00001   0.00001  -0.25602
   D300      -1.93979   0.00002   0.00001   0.00011   0.00011  -1.93968
   D301       0.12314   0.00002   0.00001   0.00006   0.00007   0.12322
   D302      -1.89566   0.00002   0.00000   0.00003   0.00003  -1.89563
   D303       0.16727   0.00002   0.00001  -0.00002  -0.00001   0.16726
   D304      -2.67387   0.00001   0.00001   0.00005   0.00006  -2.67382
   D305      -0.61094   0.00001   0.00001   0.00001   0.00002  -0.61092
   D306      -2.81900   0.00000   0.00000  -0.00009  -0.00009  -2.81909
   D307      -0.75606   0.00000   0.00000  -0.00013  -0.00013  -0.75620
   D308       1.51920   0.00001  -0.00001  -0.00002  -0.00003   1.51918
   D309      -2.70104   0.00001   0.00000  -0.00006  -0.00007  -2.70111
   D310       2.61952  -0.00002   0.00000  -0.00005  -0.00006   2.61947
   D311      -1.60073  -0.00002   0.00000  -0.00010  -0.00010  -1.60082
   D312       3.00604  -0.00001   0.00000   0.00002   0.00002   3.00606
   D313      -1.21421  -0.00001   0.00001  -0.00003  -0.00002  -1.21423
   D314      -0.27316  -0.00008  -0.00010  -0.00197  -0.00206  -0.27522
   D315       1.78978  -0.00008  -0.00009  -0.00201  -0.00210   1.78767
   D316      -0.20172   0.00001   0.00001  -0.00002  -0.00001  -0.20174
   D317       1.86121   0.00001   0.00001  -0.00007  -0.00005   1.86116
   D318       0.17850   0.00002   0.00003   0.00040   0.00044   0.17894
   D319       2.24144   0.00002   0.00004   0.00036   0.00040   2.24184
   D320       0.34616  -0.00005  -0.00001  -0.00043  -0.00044   0.34573
   D321       2.40910  -0.00005   0.00000  -0.00047  -0.00048   2.40862
   D322      -0.53151   0.00001   0.00004   0.00083   0.00087  -0.53064
   D323       1.53143   0.00001   0.00004   0.00078   0.00083   1.53226
   D324      -0.50511  -0.00013  -0.00009  -0.00218  -0.00227  -0.50738
   D325       1.55783  -0.00014  -0.00009  -0.00222  -0.00231   1.55552
   D326      -0.14042  -0.00002   0.00068   0.00238   0.00306  -0.13736
   D327       2.02543   0.00009   0.00006   0.00651   0.00657   2.03200
   D328       0.20322  -0.00003   0.00067   0.00200   0.00267   0.20589
   D329       2.36907   0.00008   0.00005   0.00613   0.00618   2.37525
   D330       0.56075  -0.00006   0.00066   0.00183   0.00249   0.56324
   D331       2.72660   0.00005   0.00003   0.00596   0.00599   2.73259
   D332       0.84780  -0.00007   0.00065   0.00166   0.00232   0.85012
   D333       3.01365   0.00004   0.00003   0.00579   0.00582   3.01947
   D334       0.22263  -0.00001   0.00068   0.00186   0.00254   0.22517
   D335       2.38848   0.00010   0.00006   0.00598   0.00604   2.39452
   D336       0.56519   0.00003   0.00072   0.00234   0.00306   0.56825
   D337       2.73103   0.00013   0.00009   0.00647   0.00657   2.73760
   D338      -2.53424  -0.00009   0.00063   0.00197   0.00260  -2.53164
   D339      -0.36839   0.00002   0.00001   0.00610   0.00611  -0.36228
   D340      -2.11891  -0.00009   0.00063   0.00169   0.00232  -2.11659
   D341       0.04694   0.00002   0.00001   0.00582   0.00582   0.05277
   D342      -2.07790  -0.00004   0.00067   0.00213   0.00280  -2.07509
   D343       0.08795   0.00007   0.00005   0.00626   0.00631   0.09426
   D344      -1.79828  -0.00002   0.00070   0.00245   0.00315  -1.79513
   D345       0.36757   0.00009   0.00008   0.00658   0.00666   0.37423
   D346      -1.70259  -0.00013   0.00059   0.00104   0.00163  -1.70096
   D347       0.46326  -0.00003  -0.00003   0.00517   0.00514   0.46840
   D348      -1.38509  -0.00011   0.00061   0.00114   0.00175  -1.38335
   D349       0.78075   0.00000  -0.00001   0.00526   0.00525   0.78601
   D350       1.58186   0.00000   0.00073   0.00293   0.00366   1.58552
   D351      -2.53548   0.00011   0.00011   0.00705   0.00716  -2.52831
   D352       1.95099   0.00002   0.00076   0.00346   0.00422   1.95521
   D353      -2.16635   0.00013   0.00013   0.00759   0.00772  -2.15862
   D354       2.01239   0.00009   0.00086   0.00528   0.00615   2.01853
   D355      -2.10495   0.00020   0.00024   0.00941   0.00965  -2.09530
   D356       2.61641   0.00004   0.00084   0.00616   0.00699   2.62340
   D357      -1.50092   0.00014   0.00022   0.01029   0.01049  -1.49043
   D358       2.33977  -0.00002   0.00071   0.00281   0.00352   2.34329
   D359      -1.77757   0.00009   0.00009   0.00694   0.00702  -1.77054
   D360       1.60489  -0.00022   0.00047  -0.00112  -0.00065   1.60424
   D361      -2.51245  -0.00012  -0.00015   0.00301   0.00286  -2.50959
   D362       1.64425  -0.00006   0.00062   0.00124   0.00186   1.64611
   D363      -2.47309   0.00004   0.00000   0.00537   0.00537  -2.46772
   D364       2.72251  -0.00005   0.00056  -0.00071  -0.00016   2.72235
   D365      -1.39483   0.00005  -0.00006   0.00342   0.00335  -1.39148
   D366       2.56550   0.00007   0.00073   0.00335   0.00409   2.56959
   D367      -1.55184   0.00018   0.00011   0.00748   0.00760  -1.54424
   D368       0.01986   0.00004   0.00022   0.00233   0.00255   0.02241
   D369      -2.96441   0.00004   0.00002   0.00112   0.00113  -2.96328
   D370       0.40963   0.00002   0.00019   0.00194   0.00213   0.41176
   D371      -2.57464   0.00002  -0.00001   0.00073   0.00071  -2.57392
   D372       0.57162   0.00002   0.00020   0.00196   0.00216   0.57378
   D373      -2.41265   0.00001  -0.00001   0.00075   0.00075  -2.41190
   D374       0.86189   0.00000   0.00019   0.00176   0.00195   0.86385
   D375      -2.12238  -0.00001  -0.00002   0.00055   0.00054  -2.12184
   D376       0.70313   0.00002   0.00019   0.00180   0.00199   0.70513
   D377      -2.28114   0.00001  -0.00001   0.00059   0.00058  -2.28056
   D378       1.02504   0.00001   0.00019   0.00176   0.00194   1.02698
   D379      -1.95923   0.00000  -0.00002   0.00055   0.00053  -1.95870
   D380      -2.90072   0.00002   0.00019   0.00222   0.00241  -2.89831
   D381       0.39820   0.00001  -0.00001   0.00101   0.00100   0.39920
   D382      -2.34600   0.00004   0.00022   0.00282   0.00304  -2.34296
   D383       0.95292   0.00003   0.00002   0.00161   0.00163   0.95455
   D384      -2.01237   0.00003   0.00022   0.00245   0.00267  -2.00971
   D385       1.28654   0.00002   0.00001   0.00124   0.00125   1.28780
   D386      -1.65068   0.00003   0.00023   0.00247   0.00270  -1.64798
   D387       1.64824   0.00002   0.00002   0.00126   0.00128   1.64952
   D388      -1.82907   0.00006   0.00030   0.00450   0.00480  -1.82427
   D389       1.46984   0.00005   0.00010   0.00329   0.00339   1.47323
   D390      -1.00062   0.00006   0.00029   0.00343   0.00372  -0.99690
   D391       2.29829   0.00005   0.00009   0.00222   0.00231   2.30060
   D392       1.76502   0.00000   0.00021   0.00214   0.00235   1.76737
   D393      -1.21925  -0.00001   0.00001   0.00093   0.00094  -1.21831
   D394       2.06347  -0.00001   0.00020   0.00186   0.00206   2.06553
   D395      -0.92080  -0.00002  -0.00001   0.00065   0.00065  -0.92015
   D396       2.00137  -0.00003   0.00018   0.00153   0.00170   2.00308
   D397      -0.98290  -0.00004  -0.00003   0.00032   0.00029  -0.98261
   D398       2.18518  -0.00004   0.00017   0.00143   0.00160   2.18678
   D399      -0.79909  -0.00004  -0.00004   0.00022   0.00019  -0.79890
   D400       2.47054   0.00000   0.00020   0.00188   0.00208   2.47263
   D401      -0.51373  -0.00001   0.00000   0.00067   0.00067  -0.51306
   D402      -1.35481  -0.00021  -0.00003  -0.00169  -0.00172  -1.35654
   D403       1.94411  -0.00022  -0.00024  -0.00290  -0.00314   1.94097
   D404      -2.50229   0.00009   0.00020   0.00122   0.00142  -2.50087
   D405       0.79663   0.00009   0.00000   0.00001   0.00000   0.79663
   D406      -2.96489   0.00015   0.00031   0.00384   0.00416  -2.96073
   D407       0.33402   0.00014   0.00011   0.00263   0.00275   0.33677
   D408       1.85170   0.00002   0.00005  -0.00030  -0.00025   1.85145
   D409       2.33276  -0.00001   0.00001  -0.00081  -0.00079   2.33197
   D410       2.55774   0.00000   0.00001  -0.00113  -0.00112   2.55662
   D411       2.81545  -0.00001   0.00000  -0.00147  -0.00147   2.81398
   D412       2.73395  -0.00006  -0.00001  -0.00096  -0.00097   2.73298
   D413      -3.06662  -0.00004  -0.00003  -0.00151  -0.00153  -3.06814
   D414      -0.80215   0.00002   0.00002  -0.00100  -0.00098  -0.80313
   D415      -0.42262   0.00003   0.00002  -0.00092  -0.00090  -0.42352
   D416      -0.11018   0.00002   0.00002  -0.00092  -0.00089  -0.11107
   D417       0.19918   0.00002   0.00003  -0.00084  -0.00081   0.19837
   D418      -0.28830   0.00005   0.00004  -0.00079  -0.00075  -0.28905
   D419       0.03491   0.00006   0.00005  -0.00061  -0.00057   0.03434
   D420      -2.60275   0.00000   0.00002  -0.00096  -0.00094  -2.60369
   D421      -2.22239   0.00000   0.00002  -0.00107  -0.00105  -2.22344
   D422      -1.98917  -0.00001   0.00000  -0.00138  -0.00138  -1.99054
   D423      -1.66918   0.00000   0.00000  -0.00137  -0.00136  -1.67055
   D424      -1.99590   0.00001   0.00003  -0.00075  -0.00071  -1.99661
   D425       1.51668  -0.00002  -0.00010  -0.00411  -0.00422   1.51246
   D426       2.62259   0.00007   0.00002  -0.00187  -0.00185   2.62074
   D427       3.00013   0.00009   0.00008  -0.00081  -0.00073   2.99941
   D428      -3.10022   0.00001   0.00003  -0.00025  -0.00022  -3.10045
   D429       0.00307   0.00005   0.00012   0.00205   0.00216   0.00523
   D430       0.01867   0.00012   0.00002   0.00090   0.00092   0.01959
   D431       3.12196   0.00016   0.00011   0.00320   0.00331   3.12527
   D432       0.02817   0.00001   0.00010   0.00188   0.00198   0.03015
   D433       2.12141   0.00000   0.00010   0.00176   0.00186   2.12326
   D434      -2.07697   0.00000   0.00011   0.00177   0.00188  -2.07509
   D435      -3.07693  -0.00003   0.00002  -0.00030  -0.00029  -3.07721
   D436      -0.98369  -0.00003   0.00001  -0.00042  -0.00041  -0.98410
   D437       1.10112  -0.00004   0.00003  -0.00042  -0.00039   1.10073
   D438      -2.38545  -0.00004  -0.00010  -0.00196  -0.00207  -2.38752
   D439      -0.29435  -0.00003  -0.00009  -0.00188  -0.00197  -0.29632
   D440       1.81278  -0.00003  -0.00010  -0.00200  -0.00211   1.81067
   D441       0.71966  -0.00001  -0.00002   0.00023   0.00021   0.71987
   D442       2.81076   0.00001  -0.00001   0.00032   0.00031   2.81107
   D443      -1.36530   0.00001  -0.00002   0.00019   0.00017  -1.36512
   D444      -0.01327   0.00000   0.00003   0.00030   0.00032  -0.01295
   D445       3.11731   0.00000   0.00001   0.00008   0.00010   3.11740
   D446      -3.13364   0.00000   0.00003   0.00034   0.00037  -3.13326
   D447      -0.00306   0.00000   0.00002   0.00013   0.00015  -0.00291
   D448       2.43319   0.00000  -0.00001  -0.00027  -0.00028   2.43291
   D449      -1.76410   0.00000  -0.00002  -0.00035  -0.00037  -1.76446
   D450       0.34307  -0.00001  -0.00003  -0.00053  -0.00056   0.34251
   D451      -0.69793   0.00000   0.00000  -0.00006  -0.00006  -0.69799
   D452       1.38797   0.00000   0.00000  -0.00015  -0.00015   1.38782
   D453      -2.78804  -0.00001  -0.00002  -0.00033  -0.00035  -2.78839
   D454       2.06938   0.00001   0.00000   0.00018   0.00018   2.06955
   D455      -2.12839  -0.00001   0.00001   0.00024   0.00025  -2.12814
   D456      -0.03560   0.00001   0.00000   0.00022   0.00022  -0.03538
   D457      -1.08271   0.00001  -0.00001  -0.00003  -0.00004  -1.08275
   D458       1.00271  -0.00001   0.00000   0.00004   0.00004   1.00274
   D459       3.09550   0.00001  -0.00001   0.00002   0.00000   3.09550
   D460      -3.06980   0.00004   0.00000   0.00043   0.00044  -3.06936
   D461      -0.03136   0.00004   0.00000   0.00009   0.00009  -0.03127
   D462       0.08610   0.00002   0.00000   0.00034   0.00034   0.08644
   D463       3.12454   0.00001  -0.00001   0.00000  -0.00001   3.12453
   D464       1.91285  -0.00002   0.00000  -0.00051  -0.00051   1.91234
   D465      -2.28763  -0.00004   0.00000  -0.00053  -0.00053  -2.28816
   D466      -0.19476  -0.00002   0.00000  -0.00050  -0.00051  -0.19527
   D467      -1.12971  -0.00001   0.00000  -0.00019  -0.00019  -1.12991
   D468       0.95299  -0.00003   0.00000  -0.00021  -0.00021   0.95278
   D469       3.04586  -0.00001   0.00000  -0.00019  -0.00018   3.04567
   D470      -1.63631   0.00000   0.00000   0.00023   0.00023  -1.63609
   D471       0.46740  -0.00001   0.00000   0.00025   0.00025   0.46765
   D472       2.55927   0.00000   0.00001   0.00036   0.00037   2.55964
   D473       1.40666  -0.00001  -0.00001  -0.00010  -0.00011   1.40656
   D474      -2.77281  -0.00002   0.00000  -0.00008  -0.00008  -2.77289
   D475      -0.68094  -0.00001   0.00000   0.00003   0.00004  -0.68090
   D476       0.00192  -0.00032   0.00132  -0.00336  -0.00203  -0.00012
   D477      -3.11594  -0.00044   0.00052  -0.01077  -0.01024  -3.12617
   D478       3.11635  -0.00012  -0.00108  -0.00151  -0.00258   3.11376
   D479      -0.00151  -0.00025  -0.00189  -0.00891  -0.01079  -0.01229
   D480      -0.03973  -0.00012  -0.00069  -0.00238  -0.00308  -0.04281
   D481       2.06133   0.00000  -0.00082  -0.00066  -0.00149   2.05984
   D482      -2.14256  -0.00016  -0.00097  -0.00429  -0.00527  -2.14782
   D483       3.07928  -0.00001   0.00008   0.00460   0.00468   3.08396
   D484      -1.10285   0.00012  -0.00005   0.00632   0.00627  -1.09658
   D485       0.97645  -0.00005  -0.00020   0.00269   0.00250   0.97895
   D486       0.32518  -0.00020   0.00067  -0.00447  -0.00381   0.32137
   D487       2.40504  -0.00016   0.00022  -0.00898  -0.00878   2.39626
   D488      -1.79479  -0.00008   0.00020  -0.00828  -0.00811  -1.80291
   D489      -2.79398  -0.00032  -0.00010  -0.01149  -0.01158  -2.80556
   D490      -0.71411  -0.00029  -0.00055  -0.01601  -0.01655  -0.73066
   D491       1.36924  -0.00021  -0.00058  -0.01530  -0.01589   1.35335
         Item               Value     Threshold  Converged?
 Maximum Force            0.000689     0.000450     NO 
 RMS     Force            0.000069     0.000300     YES
 Maximum Displacement     0.025385     0.001800     NO 
 RMS     Displacement     0.002257     0.001200     NO 
 Predicted change in Energy=-3.514768D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:22:17 2016, MaxMem=  2952790016 cpu:         7.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.889702   -0.653719    1.713342
      2          6           0       -2.210751    0.963825   -1.416026
      3          8           0       -2.635334   -0.005692   -2.067162
      4          7           0       -0.952256    1.088478   -0.910548
      5          1           0       -2.854381    1.830498   -1.166364
      6          6           0       -0.556618    2.248702   -0.110286
      7          1           0       -1.416911    2.920141    0.014580
      8          1           0       -0.209325    1.914269    0.880699
      9          1           0        0.265545    2.791522   -0.604888
     10          6           0        0.059075    0.046870   -1.103704
     11          1           0        0.599196   -0.114006   -0.157812
     12          1           0       -0.433822   -0.885839   -1.407949
     13          1           0        0.785643    0.349391   -1.876136
     14          6           0       -1.958806   -4.082257    2.650155
     15          8           0       -2.136198   -3.932612    3.871126
     16          7           0       -2.868830   -3.797775    1.679290
     17          1           0       -1.000829   -4.454248    2.236359
     18          6           0       -4.201152   -3.282071    2.002795
     19          1           0       -4.466857   -2.499182    1.274814
     20          1           0       -4.953699   -4.086372    1.949301
     21          1           0       -4.191453   -2.856402    3.014704
     22          6           0       -2.562413   -3.977882    0.260333
     23          1           0       -3.246285   -4.718133   -0.186492
     24          1           0       -2.686299   -3.020086   -0.271776
     25          1           0       -1.525024   -4.322145    0.146290
     26          6           0        1.509797    0.356627    2.617128
     27          8           0        1.355397    1.372125    3.316464
     28          7           0        1.133145   -0.904530    2.962907
     29          1           0        1.971824    0.399850    1.611101
     30          6           0        1.436283   -2.055162    2.111376
     31          1           0        2.204498   -2.690393    2.583636
     32          1           0        0.526805   -2.659427    1.966996
     33          1           0        1.797431   -1.704791    1.134686
     34          6           0        0.520435   -1.183439    4.263884
     35          1           0        1.284972   -1.490977    4.997791
     36          1           0        0.011649   -0.280498    4.623813
     37          1           0       -0.208190   -1.999459    4.149199
     38          6           0       -4.407062    1.590497    2.753416
     39          8           0       -4.547452    2.376437    1.801846
     40          7           0       -3.367863    1.577002    3.632903
     41          1           0       -5.137747    0.780643    2.957357
     42          6           0       -2.258901    2.527529    3.546403
     43          1           0       -2.399200    3.171771    2.670915
     44          1           0       -2.222224    3.144378    4.459988
     45          1           0       -1.307586    1.978654    3.460419
     46          6           0       -3.295773    0.586742    4.712158
     47          1           0       -3.962021   -0.257954    4.483692
     48          1           0       -2.261454    0.215124    4.782424
     49          1           0       -3.574507    1.034106    5.680752
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.537296   0.000000
     3  O    3.907444   1.242664   0.000000
     4  N    3.286161   1.361930   2.316833   0.000000
     5  H    3.923601   1.108022   2.056942   2.057697   0.000000
     6  C    3.677878   2.468201   3.637680   1.463923   2.563184
     7  H    3.985198   2.550292   3.791926   2.103986   2.155986
     8  H    3.179862   3.191237   4.273366   2.107711   3.345715
     9  H    4.678566   3.182839   4.286928   2.115852   3.312516
    10  C    3.496328   2.467886   2.861967   1.464598   3.416648
    11  H    3.160241   3.261996   3.757597   2.102280   4.089678
    12  H    3.451945   2.564917   2.460869   2.100978   3.646362
    13  H    4.587816   3.093154   3.444656   2.121061   3.993398
    14  C    3.554893   6.485387   6.271296   6.358321   7.094261
    15  O    3.932929   7.206568   7.136743   7.034022   7.688012
    16  N    3.293165   5.717245   5.335758   5.852861   6.306775
    17  H    3.937977   6.645250   6.401683   6.373946   7.383238
    18  C    3.512096   5.803247   5.454447   6.176131   6.164067
    19  H    3.199963   4.931840   4.554203   5.477182   5.225472
    20  H    4.607261   6.659856   6.177276   7.139282   7.008841
    21  H    3.441426   6.176463   6.031038   6.439106   6.421536
    22  C    3.689693   5.230136   4.604438   5.443489   5.988154
    23  H    4.687125   5.904975   5.110506   6.285185   6.633121
    24  H    3.189820   4.172170   3.508929   4.505023   4.935251
    25  H    4.005744   5.554505   4.976336   5.542545   6.430028
    26  C    3.659812   5.520642   6.265457   4.363692   5.960969
    27  O    4.147857   5.939746   6.841619   4.824247   6.166692
    28  N    3.280537   5.817856   6.349090   4.829559   6.358587
    29  H    4.003979   5.193794   5.909314   3.922139   5.749202
    30  C    3.631068   5.904041   6.183735   4.971882   6.652197
    31  H    4.654882   6.988922   7.229213   6.037738   7.751981
    32  H    3.150668   5.662773   5.771989   4.951229   6.435044
    33  H    3.877441   5.449143   5.726096   4.421098   6.279526
    34  C    3.548891   6.658190   7.171339   5.839963   7.068295
    35  H    4.644046   7.706048   8.215134   6.824020   8.134079
    36  H    3.496465   6.554925   7.200776   5.782072   6.796806
    37  H    3.251445   6.615363   6.964860   5.974113   7.065841
    38  C    3.529216   4.754024   5.378179   5.060864   4.222925
    39  O    4.031540   4.220230   4.929499   4.684160   3.460464
    40  N    3.293295   5.215992   5.960894   5.168826   4.833310
    41  H    3.762281   5.265676   5.667996   5.707345   4.829185
    42  C    3.690090   5.203190   6.170172   4.862366   4.801106
    43  H    3.976294   4.649045   5.709764   4.388694   4.090344
    44  H    4.698955   6.267574   7.259290   5.889160   5.812206
    45  H    3.212558   5.062144   6.021188   4.474822   4.880743
    46  C    3.536760   6.234909   6.837129   6.112171   6.024846
    47  H    3.482237   6.274262   6.688604   6.322135   6.124674
    48  H    3.211285   6.243709   6.863336   5.906495   6.192663
    49  H    4.629002   7.226965   7.873588   7.093969   6.930788
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098420   0.000000
     8  H    1.102049   1.794493   0.000000
     9  H    1.102378   1.797482   1.789426   0.000000
    10  C    2.492794   3.418301   2.738079   2.797242   0.000000
    11  H    2.630694   3.646979   2.417873   2.958597   1.101055
    12  H    3.394754   4.180376   3.623385   3.828447   1.097934
    13  H    2.920149   3.877474   3.322490   2.801888   1.102756
    14  C    7.047497   7.501566   6.492301   7.924133   5.934054
    15  O    7.520330   7.896236   6.844086   8.427162   6.738281
    16  N    6.716308   7.071756   6.351233   7.645955   5.576646
    17  H    7.115730   7.713044   6.559138   7.885276   5.704339
    18  C    6.952496   7.083251   6.647987   7.977464   6.235521
    19  H    6.304829   6.345032   6.144953   7.343055   5.711724
    20  H    7.981816   8.083517   7.723903   9.003878   7.178609
    21  H    7.002834   7.075824   6.570436   8.053902   6.592213
    22  C    6.552169   6.996806   6.374898   7.387205   4.993138
    23  H    7.468393   7.856861   7.372297   8.300778   5.871280
    24  H    5.685222   6.081090   5.640165   6.526802   4.199453
    25  H    6.646779   7.244290   6.415861   7.373918   4.812499
    26  C    3.910090   4.680863   2.897725   4.225904   4.005637
    27  O    4.020797   4.580882   2.945374   4.310391   4.793186
    28  N    4.716216   5.461092   3.752792   5.209866   4.312321
    29  H    3.574136   4.514894   2.753972   3.679958   3.339666
    30  C    5.237431   6.106628   4.469784   5.677946   4.080683
    31  H    6.267028   7.154910   5.470781   6.631562   5.068720
    32  H    5.438625   6.222664   4.758217   6.032885   4.119710
    33  H    4.766719   5.742528   4.145983   5.058619   3.331754
    34  C    5.663303   6.216853   4.644812   6.290487   5.526075
    35  H    6.593111   7.182654   5.547888   7.125240   6.410619
    36  H    5.397358   5.790501   4.344736   6.069686   5.737061
    37  H    6.025902   6.539002   5.099055   6.766038   5.643747
    38  C    4.843547   4.267339   4.607916   5.878259   6.099717
    39  O    4.427112   3.645576   4.458862   5.397185   5.923613
    40  N    4.729243   4.324638   4.202943   5.712756   6.043232
    41  H    5.705469   5.204038   5.466897   6.777079   6.636083
    42  C    4.043129   3.651967   3.418015   4.865773   5.757619
    43  H    3.461538   2.843295   3.095438   4.239852   5.482324
    44  H    4.946098   4.523324   4.286751   5.653890   6.764137
    45  H    3.658800   3.573816   2.804510   4.434211   5.141087
    46  C    5.789736   5.571544   5.095935   6.768679   6.735779
    47  H    6.243775   6.045729   5.637627   7.284592   6.890655
    48  H    5.566015   5.546414   4.724593   6.484342   6.329271
    49  H    6.642215   6.349634   5.927870   7.572568   7.759278
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796022   0.000000
    13  H    1.789451   1.797801   0.000000
    14  C    5.493184   5.386174   6.903536   0.000000
    15  O    6.188415   6.328471   7.739750   1.242832   0.000000
    16  N    5.382592   4.892819   6.572306   1.360755   2.314968
    17  H    5.208631   5.131863   6.571076   1.107847   2.057579
    18  C    6.143956   5.618530   7.287094   2.467284   2.859702
    19  H    5.779824   5.105434   6.755117   3.269252   3.771939
    20  H    7.145226   6.476405   8.200610   3.075808   3.413995
    21  H    6.366782   6.128848   7.679122   2.573000   2.473006
    22  C    5.010005   4.107894   5.873608   2.467080   3.636142
    23  H    5.998877   4.907991   6.692618   3.179388   4.279439
    24  H    4.387798   3.304475   5.097228   3.192982   4.277727
    25  H    4.723687   3.926140   5.590406   2.552460   3.794690
    26  C    2.958206   4.639248   4.551249   5.633470   5.767440
    27  O    3.853702   5.533515   5.322941   6.417024   6.374882
    28  N    3.263268   4.643288   5.010930   4.444763   4.547829
    29  H    2.297218   4.068759   3.683801   6.051345   6.383870
    30  C    3.101293   4.153343   4.701644   3.990743   4.402745
    31  H    4.090269   5.113697   5.580591   4.390309   4.694932
    32  H    3.316507   3.931752   4.887704   2.944386   3.512591
    33  H    2.374219   3.480541   3.782648   4.696627   5.284386
    34  C    4.549866   5.759241   6.334015   4.141727   3.843165
    35  H    5.380203   6.659876   7.133523   4.769509   4.351478
    36  H    4.820463   6.078407   6.576105   4.715017   4.303222
    37  H    4.770446   5.672121   6.542894   3.106418   2.744380
    38  C    6.036820   6.263852   7.066631   6.179382   6.075429
    39  O    6.044050   6.153631   6.788104   7.009668   7.064004
    40  N    5.741653   6.331222   7.007720   5.914258   5.650628
    41  H    6.589172   6.630231   7.657361   5.817889   5.662070
    42  C    5.372861   6.287098   6.589193   6.677019   6.469461
    43  H    5.271471   6.079806   6.227738   7.267414   7.209850
    44  H    6.316767   7.339872   7.550210   7.454470   7.101968
    45  H    4.594197   5.715750   5.959440   6.149411   5.983172
    46  C    6.275223   6.914836   7.753702   5.276256   4.740940
    47  H    6.509146   6.895931   7.959685   4.690417   4.148732
    48  H    5.718179   6.547754   7.323882   4.806833   4.248513
    49  H    7.268203   7.987476   8.751359   6.162156   5.478299
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056869   0.000000
    18  C    1.464817   3.416229   0.000000
    19  H    2.098484   4.093922   1.101577   0.000000
    20  H    2.121997   3.980316   1.102763   1.791960   0.000000
    21  H    2.102106   3.652262   1.097838   1.797407   1.796922
    22  C    1.462794   2.563230   2.491143   2.615842   2.929613
    23  H    2.114396   3.313897   2.786938   2.923859   2.806421
    24  H    2.108264   3.344902   2.745376   2.415298   3.348320
    25  H    2.104962   2.158847   3.419067   3.640211   3.881011
    26  C    6.108271   5.439922   6.799446   6.758538   7.871658
    27  O    6.874031   6.376916   7.366309   7.283817   8.453935
    28  N    5.102386   4.205022   5.918550   6.062392   6.942707
    29  H    6.407546   5.726245   7.198306   7.069236   8.258537
    30  C    4.664483   3.422097   5.770422   5.978633   6.707007
    31  H    5.270939   3.675039   6.459088   6.801217   7.320582
    32  H    3.592902   2.372257   4.768914   5.043952   5.663250
    33  H    5.143070   4.074734   6.262940   6.316011   7.205087
    34  C    5.000200   4.138030   5.640050   5.961443   6.614412
    35  H    5.795501   4.650953   6.501967   6.925357   7.412851
    36  H    5.416513   4.913780   5.798867   6.016258   6.803849
    37  H    4.051345   3.211421   4.711251   5.162175   5.631572
    38  C    5.705558   6.957637   4.934344   4.349174   5.759536
    39  O    6.399507   7.708799   5.672655   4.904684   6.477243
    40  N    5.740546   6.627908   5.192516   4.835665   6.117450
    41  H    5.267196   6.711036   4.277154   3.746772   4.973719
    42  C    6.623262   7.214165   6.317161   5.941634   7.318220
    43  H    7.055385   7.765337   6.733907   6.195484   7.728314
    44  H    7.506256   8.010958   7.159134   6.858096   8.127007
    45  H    6.243160   6.555506   6.178400   5.899905   7.236170
    46  C    5.348323   6.066954   4.809166   4.765470   5.676274
    47  H    4.646511   5.606072   3.918841   3.946500   4.697163
    48  H    5.108983   5.465771   4.870230   4.953240   5.811853
    49  H    6.313221   6.972065   5.705211   5.717753   6.484226
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390878   0.000000
    23  H    3.821916   1.102408   0.000000
    24  H    3.618458   1.102661   1.790033   0.000000
    25  H    4.181632   1.098953   1.797300   1.794072   0.000000
    26  C    6.556362   6.397292   7.498919   6.111889   6.099679
    27  O    6.981336   7.301490   8.398656   6.964359   7.125415
    28  N    5.671317   5.514213   6.606185   5.433867   5.165199
    29  H    7.110505   6.445807   7.526869   6.077772   6.055647
    30  C    5.755815   4.807576   5.856454   4.858619   4.215461
    31  H    6.412611   5.456996   6.441768   5.672916   4.744745
    32  H    4.837195   3.767530   4.807492   3.932711   3.207741
    33  H    6.381803   4.993964   6.022027   4.879752   4.343521
    34  C    5.153751   5.774191   6.818217   5.850524   5.566862
    35  H    5.982328   6.590187   7.604184   6.773294   6.280816
    36  H    5.185612   6.271873   7.310661   6.225035   6.224506
    37  H    4.229399   4.957802   5.951422   5.169886   4.811673
    38  C    4.459784   6.373778   7.056152   5.776703   7.075492
    39  O    5.383341   6.833302   7.481941   6.073406   7.533056
    40  N    4.551433   6.548261   7.364189   6.069948   7.095946
    41  H    3.758571   6.045647   6.610442   5.557197   6.855093
    42  C    5.744926   7.294570   8.210301   6.748125   7.682276
    43  H    6.298352   7.546860   8.434033   6.861556   7.955922
    44  H    6.478894   8.275229   9.190079   7.784958   8.651187
    45  H    5.647400   6.877170   7.868003   6.388861   7.122556
    46  C    3.941933   6.418127   7.220867   6.182254   6.933964
    47  H    2.993742   5.799442   6.497391   5.645468   6.424145
    48  H    4.035344   6.174235   7.070858   6.015980   6.528619
    49  H    4.756520   7.451530   8.223170   7.256581   7.969947
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242637   0.000000
    28  N    1.360863   2.314640   0.000000
    29  H    1.107893   2.057563   2.057225   0.000000
    30  C    2.465343   3.633879   1.463199   2.562063   0.000000
    31  H    3.125390   4.214506   2.116825   3.248009   1.103042
    32  H    3.238137   4.331402   2.106930   3.402047   1.101423
    33  H    2.555350   3.797757   2.103351   2.164925   1.098686
    34  C    2.462203   2.850556   1.464835   3.413296   2.496391
    35  H    3.021878   3.321020   2.123140   3.939120   2.944927
    36  H    2.584020   2.499197   2.098994   3.658086   3.389890
    37  H    3.293913   3.808652   2.098890   4.117170   2.619183
    38  C    6.045679   5.794019   6.079716   6.588833   6.917206
    39  O    6.436969   6.176272   6.661981   6.815001   7.452514
    40  N    5.129588   4.738280   5.183239   5.829719   6.211882
    41  H    6.669736   6.529911   6.493376   7.245924   7.209393
    42  C    4.447410   3.801445   4.860605   5.115804   6.059270
    43  H    4.817487   4.213367   5.401755   5.283238   6.507292
    44  H    5.009557   4.153059   5.467486   5.765295   6.777600
    45  H    3.358535   2.734974   3.810176   4.082540   5.061661
    46  C    5.247437   4.919163   4.989898   6.115477   6.011329
    47  H    5.813997   5.682827   5.356451   6.625331   6.164376
    48  H    4.350961   4.070541   4.010931   5.292642   5.095287
    49  H    5.974522   5.477962   5.771219   6.908410   6.884187
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787697   0.000000
    33  H    1.799047   1.794035   0.000000
    34  C    2.816064   2.730252   3.419708   0.000000
    35  H    2.848205   3.335538   3.902808   1.103502   0.000000
    36  H    3.844282   3.603244   4.170328   1.097139   1.796238
    37  H    2.957946   2.395368   3.632717   1.099971   1.791143
    38  C    7.878298   6.559220   7.209365   5.852902   6.850690
    39  O    8.477782   7.150894   7.573576   6.664669   7.693381
    40  N    7.096678   5.990911   6.609956   4.810097   5.737969
    41  H    8.129965   6.700899   7.589216   6.130225   7.111606
    42  C    6.933655   6.095835   6.338986   4.691564   5.551032
    43  H    7.454303   6.562003   6.614572   5.479934   6.381904
    44  H    7.560497   6.888855   7.122478   5.127439   5.837479
    45  H    5.907917   5.206449   5.349573   3.739793   4.595999
    46  C    6.747088   5.717135   6.632507   4.230594   5.038027
    47  H    6.895864   5.678943   6.817658   4.582276   5.414386
    48  H    5.763803   4.895311   5.785033   3.156543   3.941357
    49  H    7.540618   6.652438   7.551555   4.867604   5.518787
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796779   0.000000
    38  C    5.150147   5.697940   0.000000
    39  O    5.983995   6.594522   1.242133   0.000000
    40  N    3.981622   4.800122   1.361475   2.320192   0.000000
    41  H    5.515376   5.783596   1.109665   2.056748   2.055004
    42  C    3.768451   5.006236   2.474157   2.881626   1.463140
    43  H    4.641569   5.807536   2.557097   2.450066   2.099289
    44  H    4.092285   5.532809   3.178121   3.614158   2.110267
    45  H    2.863151   4.184313   3.202698   3.661396   2.106137
    46  C    3.420372   4.066758   2.465595   3.638629   1.466494
    47  H    3.976204   4.151623   2.570737   3.804608   2.108064
    48  H    2.331907   3.085651   3.257632   4.333694   2.097679
    49  H    3.963056   4.783331   3.093867   4.218339   2.128644
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418529   0.000000
    43  H    3.646805   1.095998   0.000000
    44  H    4.042947   1.102944   1.798014   0.000000
    45  H    4.044557   1.101661   1.799574   1.787347   0.000000
    46  C    2.551430   2.490128   3.413633   2.785246   2.730779
    47  H    2.188770   3.396770   4.182295   3.821429   3.618775
    48  H    3.453078   2.622017   3.635824   2.947208   2.401583
    49  H    3.150372   2.918317   3.874284   2.787863   3.310737
                   46         47         48         49
    46  C    0.000000
    47  H    1.099816   0.000000
    48  H    1.101296   1.790244   0.000000
    49  H    1.102725   1.803480   1.789367   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2172669      0.1876923      0.1834378
 Leave Link  202 at Mon Nov 14 00:22:17 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1846.6854697761 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839268592 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.5015429169 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4053
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.21D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     232
 GePol: Fraction of low-weight points (<1% of avg)   =       5.72%
 GePol: Cavity surface area                          =    467.532 Ang**2
 GePol: Cavity volume                                =    458.827 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039753055 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.4975676114 Hartrees.
 Leave Link  301 at Mon Nov 14 00:22:18 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:22:19 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:22:19 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000031    0.000558    0.000239
         Rot=    1.000000   -0.000069    0.000041   -0.000078 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50851353395    
 Leave Link  401 at Mon Nov 14 00:22:26 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49280427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.33D-15 for   1857.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.67D-15 for   2018    825.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.90D-14 for   1836.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.10D-12 for   2866   2271.
 E= -1013.45027720861    
 DIIS: error= 1.71D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45027720861     IErMin= 1 ErrMin= 1.71D-04
 ErrMax= 1.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-05 BMatP= 4.49D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.71D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.91D-05 MaxDP=1.44D-03              OVMax= 1.68D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.91D-05    CP:  1.00D+00
 E= -1013.45035347820     Delta-E=       -0.000076269585 Rises=F Damp=F
 DIIS: error= 2.86D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45035347820     IErMin= 2 ErrMin= 2.86D-05
 ErrMax= 2.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.64D-07 BMatP= 4.49D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.243D-01 0.976D+00
 Coeff:      0.243D-01 0.976D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=8.08D-06 MaxDP=4.16D-04 DE=-7.63D-05 OVMax= 6.98D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.86D-06    CP:  1.00D+00  9.57D-01
 E= -1013.45035043829     Delta-E=        0.000003039905 Rises=F Damp=F
 DIIS: error= 7.89D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45035347820     IErMin= 2 ErrMin= 2.86D-05
 ErrMax= 7.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.51D-06 BMatP= 8.64D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.273D-02 0.707D+00 0.291D+00
 Coeff:      0.273D-02 0.707D+00 0.291D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=5.75D-06 MaxDP=3.68D-04 DE= 3.04D-06 OVMax= 6.56D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.56D-06    CP:  1.00D+00  9.81D-01  3.59D-01
 E= -1013.45035412656     Delta-E=       -0.000003688261 Rises=F Damp=F
 DIIS: error= 1.47D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45035412656     IErMin= 4 ErrMin= 1.47D-05
 ErrMax= 1.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-07 BMatP= 8.64D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.759D-04 0.292D+00 0.182D+00 0.526D+00
 Coeff:     -0.759D-04 0.292D+00 0.182D+00 0.526D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.36D-06 MaxDP=7.96D-05 DE=-3.69D-06 OVMax= 1.37D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.34D-07    CP:  1.00D+00  9.82D-01  3.89D-01  5.63D-01
 E= -1013.45035425858     Delta-E=       -0.000000132023 Rises=F Damp=F
 DIIS: error= 3.07D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45035425858     IErMin= 5 ErrMin= 3.07D-06
 ErrMax= 3.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-08 BMatP= 1.59D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.410D-05 0.125D+00 0.875D-01 0.309D+00 0.478D+00
 Coeff:     -0.410D-05 0.125D+00 0.875D-01 0.309D+00 0.478D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=3.66D-07 MaxDP=2.22D-05 DE=-1.32D-07 OVMax= 2.32D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.26D-07    CP:  1.00D+00  9.82D-01  3.80D-01  5.97D-01  6.44D-01
 E= -1013.45035426919     Delta-E=       -0.000000010611 Rises=F Damp=F
 DIIS: error= 7.76D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45035426919     IErMin= 6 ErrMin= 7.76D-07
 ErrMax= 7.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-10 BMatP= 1.08D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.248D-04 0.462D-01 0.335D-01 0.122D+00 0.221D+00 0.577D+00
 Coeff:     -0.248D-04 0.462D-01 0.335D-01 0.122D+00 0.221D+00 0.577D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=5.86D-08 MaxDP=4.23D-06 DE=-1.06D-08 OVMax= 4.18D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.33D-08    CP:  1.00D+00  9.82D-01  3.81D-01  6.01D-01  6.38D-01
                    CP:  9.17D-01
 E= -1013.45035426938     Delta-E=       -0.000000000192 Rises=F Damp=F
 DIIS: error= 5.15D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45035426938     IErMin= 7 ErrMin= 5.15D-07
 ErrMax= 5.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.24D-11 BMatP= 2.47D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.256D-04 0.106D-01 0.838D-02 0.316D-01 0.694D-01 0.380D+00
 Coeff-Com:  0.500D+00
 Coeff:     -0.256D-04 0.106D-01 0.838D-02 0.316D-01 0.694D-01 0.380D+00
 Coeff:      0.500D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=2.49D-08 MaxDP=1.94D-06 DE=-1.92D-10 OVMax= 1.72D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.57D-08    CP:  1.00D+00  9.82D-01  3.82D-01  6.01D-01  6.44D-01
                    CP:  9.09D-01  6.53D-01
 E= -1013.45035426938     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 8.02D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45035426938     IErMin= 8 ErrMin= 8.02D-08
 ErrMax= 8.02D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-12 BMatP= 8.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-04 0.270D-02 0.233D-02 0.879D-02 0.222D-01 0.159D+00
 Coeff-Com:  0.254D+00 0.551D+00
 Coeff:     -0.112D-04 0.270D-02 0.233D-02 0.879D-02 0.222D-01 0.159D+00
 Coeff:      0.254D+00 0.551D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=6.70D-09 MaxDP=4.21D-07 DE= 9.09D-13 OVMax= 6.39D-07

 Error on total polarization charges =  0.04256
 SCF Done:  E(RB97D) =  -1013.45035427     A.U. after    8 cycles
            NFock=  8  Conv=0.67D-08     -V/T= 2.0213
 KE= 9.923539943746D+02 PE=-6.024296608702D+03 EE= 2.171994692447D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.49
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:24:03 2016, MaxMem=  2952790016 cpu:      1110.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 00:24:12 2016, MaxMem=  2952790016 cpu:        97.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:24:12 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:24:49 2016, MaxMem=  2952790016 cpu:       440.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.62451511D+00-3.06856815D+00 3.48941142D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000763618    0.000909256    0.000069627
      2        6           0.000267871   -0.000069055    0.000026987
      3        8           0.000017793    0.000012806    0.000036860
      4        7           0.000035732   -0.000089483    0.000088048
      5        1          -0.000002477    0.000142928   -0.000143594
      6        6          -0.000000809   -0.000052842   -0.000087096
      7        1           0.000020097    0.000045259   -0.000016111
      8        1          -0.000008767   -0.000005920   -0.000096327
      9        1           0.000072618   -0.000030197    0.000049297
     10        6           0.000058661   -0.000036803    0.000010025
     11        1           0.000011887   -0.000020613    0.000005766
     12        1           0.000030847    0.000009359    0.000029603
     13        1           0.000035593    0.000007097    0.000012090
     14        6          -0.000068058    0.000014524   -0.000003862
     15        8          -0.000024991   -0.000003555   -0.000022037
     16        7          -0.000067629    0.000006927   -0.000010170
     17        1          -0.000023217   -0.000013247   -0.000014627
     18        6          -0.000081887    0.000101152    0.000017895
     19        1          -0.000053494    0.000075940    0.000010814
     20        1          -0.000019949    0.000012152   -0.000048631
     21        1          -0.000035966   -0.000012315   -0.000038739
     22        6          -0.000001630    0.000027122   -0.000039381
     23        1          -0.000022189    0.000027563   -0.000015378
     24        1          -0.000003264    0.000023263   -0.000022858
     25        1          -0.000006617   -0.000016220   -0.000026018
     26        6          -0.000007634   -0.000050128    0.000011572
     27        8           0.000043600   -0.000034398    0.000029648
     28        7          -0.000013716   -0.000043771   -0.000047174
     29        1          -0.000014202   -0.000020821    0.000023167
     30        6           0.000003001   -0.000000627    0.000006825
     31        1          -0.000011813   -0.000040584   -0.000002436
     32        1          -0.000019155   -0.000022107   -0.000005620
     33        1          -0.000013211   -0.000013527    0.000022912
     34        6          -0.000006065   -0.000046859   -0.000031405
     35        1          -0.000032716   -0.000027399    0.000024875
     36        1          -0.000042899   -0.000012912    0.000049108
     37        1          -0.000034802   -0.000004115   -0.000004215
     38        6           0.000058765   -0.000739877   -0.000344168
     39        8          -0.000119657    0.000229363    0.000245889
     40        7          -0.000248078   -0.000346396    0.000317435
     41        1           0.000010326    0.000011012    0.000117830
     42        6          -0.000162957    0.000151879    0.000252542
     43        1          -0.000000116    0.000013696   -0.000239380
     44        1           0.000093497    0.000073816   -0.000053899
     45        1          -0.000074200   -0.000012747    0.000065129
     46        6           0.000351557   -0.000150570   -0.000695447
     47        1          -0.000306258    0.000417532    0.000488168
     48        1          -0.000320537   -0.000524603    0.000138052
     49        1          -0.000026503    0.000129045   -0.000141592
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000909256 RMS     0.000175547
 Leave Link  716 at Mon Nov 14 00:24:49 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000405845 RMS     0.000046634
 Search for a local minimum.
 Step number   3 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .46634D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    1    2    3
 DE= -5.49D-05 DEPred=-3.51D-05 R= 1.56D+00
 TightC=F SS=  1.41D+00  RLast= 5.93D-02 DXNew= 6.7748D-01 1.7794D-01
 Trust test= 1.56D+00 RLast= 5.93D-02 DXMaxT set to 4.03D-01
 ITU=  1  1  0
     Eigenvalues ---    0.00343   0.00355   0.00373   0.00384   0.00462
     Eigenvalues ---    0.00536   0.00685   0.00761   0.00772   0.00866
     Eigenvalues ---    0.00883   0.00907   0.00981   0.01021   0.01031
     Eigenvalues ---    0.01056   0.01223   0.01238   0.01353   0.01381
     Eigenvalues ---    0.01393   0.01457   0.01514   0.01534   0.01579
     Eigenvalues ---    0.01607   0.01776   0.01791   0.01858   0.01889
     Eigenvalues ---    0.01944   0.01983   0.02051   0.02082   0.02112
     Eigenvalues ---    0.02144   0.02266   0.02435   0.02831   0.02909
     Eigenvalues ---    0.03285   0.03623   0.03981   0.04185   0.04274
     Eigenvalues ---    0.04652   0.05038   0.05255   0.05662   0.05761
     Eigenvalues ---    0.06067   0.06092   0.06209   0.06391   0.07321
     Eigenvalues ---    0.07641   0.07749   0.07838   0.07898   0.08006
     Eigenvalues ---    0.08011   0.08166   0.08448   0.08523   0.08606
     Eigenvalues ---    0.08647   0.08713   0.08785   0.09072   0.09157
     Eigenvalues ---    0.09573   0.09661   0.09790   0.09950   0.09997
     Eigenvalues ---    0.10070   0.10139   0.10348   0.10525   0.10534
     Eigenvalues ---    0.10591   0.10728   0.10808   0.11271   0.11338
     Eigenvalues ---    0.11544   0.11586   0.11832   0.12965   0.13322
     Eigenvalues ---    0.13941   0.14520   0.14720   0.15143   0.15322
     Eigenvalues ---    0.15685   0.16656   0.22108   0.23220   0.23709
     Eigenvalues ---    0.24033   0.24703   0.25065   0.25448   0.26508
     Eigenvalues ---    0.26869   0.27484   0.28017   0.29250   0.29795
     Eigenvalues ---    0.29962   0.30285   0.32715   0.32765   0.32822
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33375
     Eigenvalues ---    0.33384   0.33410   0.33416   0.33425   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33830   0.33891   0.33915
     Eigenvalues ---    0.33942   0.33998   0.34662   0.37074   0.39536
     Eigenvalues ---    0.40713   0.41103   0.85942   0.85985   0.86096
     Eigenvalues ---    0.86502
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     3    2    1
 RFO step:  Lambda=-1.10753255D-05.
 NNeg= 0 NP= 3 Switch=  2.50D-03 Rises=F DC=  2.21D-04 SmlDif=  1.00D-05
 RMS Error=  0.3351990437D-03 NUsed= 3 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.28103   -1.25607   -0.02496
 Iteration  1 RMS(Cart)=  0.00515810 RMS(Int)=  0.00005526
 Iteration  2 RMS(Cart)=  0.00005418 RMS(Int)=  0.00002505
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00002505
 ITry= 1 IFail=0 DXMaxC= 6.20D-02 DCOld= 1.00D+10 DXMaxT= 4.03D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.68452   0.00005   0.00874   0.00512   0.01386   6.69838
    R2        6.20995   0.00002   0.00230   0.00037   0.00267   6.21262
    R3        6.95018   0.00006   0.00380   0.00259   0.00639   6.95657
    R4        6.00907   0.00002   0.00231   0.00205   0.00436   6.01343
    R5        6.60710  -0.00005  -0.00052  -0.00114  -0.00165   6.60545
    R6        5.97199  -0.00003  -0.00155  -0.00105  -0.00260   5.96939
    R7        6.71777   0.00001  -0.00025  -0.00011  -0.00036   6.71741
    R8        6.22318  -0.00001  -0.00046   0.00013  -0.00034   6.22284
    R9        6.63690   0.00000  -0.00183   0.00037  -0.00146   6.63544
   R10        6.04705   0.00000  -0.00260  -0.00006  -0.00266   6.04439
   R11        6.97251   0.00000   0.00016   0.00030   0.00045   6.97296
   R12        6.02789   0.00000   0.00006   0.00002   0.00008   6.02797
   R13        6.91604   0.00000   0.00205  -0.00061   0.00143   6.91748
   R14        6.19932  -0.00001   0.00053  -0.00118  -0.00065   6.19867
   R15        6.86172  -0.00001  -0.00077  -0.00083  -0.00161   6.86012
   R16        5.95390  -0.00001  -0.00116  -0.00052  -0.00167   5.95223
   R17        6.70643   0.00000   0.00092  -0.00161  -0.00069   6.70574
   R18        6.66925  -0.00003  -0.00119   0.00013  -0.00098   6.66827
   R19        6.22343  -0.00004  -0.00362  -0.00021  -0.00391   6.21951
   R20        6.97326  -0.00006  -0.00312  -0.00253  -0.00572   6.96754
   R21        6.07086  -0.00001  -0.00206   0.00044  -0.00163   6.06923
   R22        6.68351   0.00001   0.01629   0.00995   0.02596   6.70947
   R23        6.06845   0.00010  -0.00661   0.00037  -0.00602   6.06243
   R24        2.34829  -0.00001   0.00017  -0.00003   0.00014   2.34844
   R25        2.57367  -0.00008  -0.00002  -0.00017  -0.00019   2.57349
   R26        2.09386   0.00009  -0.00035   0.00041   0.00006   2.09391
   R27        2.76641  -0.00006   0.00004  -0.00020  -0.00016   2.76625
   R28        2.76769  -0.00002  -0.00020  -0.00009  -0.00028   2.76741
   R29        2.07571   0.00003   0.00000   0.00008   0.00008   2.07579
   R30        2.08257  -0.00002   0.00003  -0.00014  -0.00011   2.08246
   R31        2.08319   0.00000   0.00003   0.00001   0.00004   2.08323
   R32        2.08069  -0.00004  -0.00016  -0.00016  -0.00032   2.08037
   R33        2.07479  -0.00001   0.00000  -0.00004  -0.00004   2.07475
   R34        2.08391   0.00001   0.00007   0.00003   0.00010   2.08400
   R35        2.34861   0.00000   0.00001  -0.00001  -0.00001   2.34860
   R36        2.57145   0.00002   0.00011   0.00000   0.00011   2.57156
   R37        2.09353   0.00000  -0.00005   0.00002  -0.00003   2.09350
   R38        2.76810   0.00004   0.00001   0.00016   0.00017   2.76827
   R39        2.76428   0.00001   0.00001   0.00007   0.00008   2.76437
   R40        2.08168   0.00000   0.00015  -0.00001   0.00014   2.08182
   R41        2.08392   0.00000   0.00000   0.00002   0.00002   2.08394
   R42        2.07461  -0.00001   0.00008  -0.00005   0.00003   2.07464
   R43        2.08325   0.00000  -0.00002   0.00000  -0.00002   2.08323
   R44        2.08373   0.00001   0.00000   0.00000   0.00001   2.08373
   R45        2.07672   0.00000   0.00000   0.00001   0.00000   2.07672
   R46        2.34824  -0.00002  -0.00010  -0.00003  -0.00013   2.34812
   R47        2.57166  -0.00003   0.00006  -0.00008  -0.00002   2.57164
   R48        2.09362   0.00000   0.00002   0.00001   0.00002   2.09364
   R49        2.76505  -0.00002  -0.00007  -0.00005  -0.00012   2.76493
   R50        2.76814   0.00003  -0.00003   0.00000  -0.00003   2.76811
   R51        2.08445   0.00000   0.00000   0.00002   0.00003   2.08447
   R52        2.08139  -0.00003  -0.00001  -0.00004  -0.00002   2.08137
   R53        2.07622   0.00000   0.00001  -0.00002  -0.00001   2.07620
   R54        2.08532   0.00000   0.00002   0.00002   0.00003   2.08535
   R55        2.07329   0.00003  -0.00002   0.00016   0.00015   2.07344
   R56        2.07864   0.00000   0.00001  -0.00001  -0.00001   2.07864
   R57        2.34729  -0.00005  -0.00101   0.00024  -0.00077   2.34652
   R58        2.57281  -0.00003  -0.00218   0.00119  -0.00093   2.57188
   R59        2.09696   0.00002   0.00072   0.00008   0.00080   2.09776
   R60        2.76493   0.00014   0.00013   0.00032   0.00050   2.76543
   R61        2.77127  -0.00032  -0.00041  -0.00141  -0.00177   2.76950
   R62        2.07114   0.00021  -0.00074   0.00056  -0.00018   2.07095
   R63        2.08426   0.00000   0.00050  -0.00018   0.00032   2.08458
   R64        2.08184  -0.00002  -0.00004   0.00007   0.00004   2.08187
   R65        2.07835  -0.00025   0.00082  -0.00122  -0.00040   2.07795
   R66        2.08115   0.00001   0.00013  -0.00003   0.00036   2.08150
   R67        2.08385  -0.00006  -0.00030  -0.00022  -0.00052   2.08333
    A1        0.69723  -0.00002  -0.00055  -0.00045  -0.00099   0.69623
    A2        0.98486  -0.00003  -0.00078  -0.00060  -0.00138   0.98347
    A3        0.71691  -0.00001  -0.00060  -0.00028  -0.00088   0.71603
    A4        1.01169  -0.00002  -0.00066  -0.00030  -0.00097   1.01073
    A5        2.30825   0.00000  -0.00023  -0.00025  -0.00049   2.30776
    A6        1.98280   0.00000  -0.00007  -0.00012  -0.00018   1.98262
    A7        1.93413   0.00002   0.00024   0.00013   0.00037   1.93450
    A8        1.64024   0.00002   0.00019   0.00025   0.00044   1.64068
    A9        1.61786   0.00000  -0.00019  -0.00019  -0.00039   1.61747
   A10        1.33462   0.00000  -0.00018  -0.00016  -0.00034   1.33427
   A11        1.74826  -0.00003  -0.00042  -0.00043  -0.00086   1.74740
   A12        2.04381  -0.00004  -0.00067  -0.00053  -0.00120   2.04261
   A13        1.93543  -0.00005  -0.00084  -0.00068  -0.00153   1.93390
   A14        2.01744  -0.00005  -0.00076  -0.00063  -0.00140   2.01604
   A15        2.44293  -0.00003  -0.00059  -0.00034  -0.00094   2.44198
   A16        1.47585   0.00007   0.00290   0.00171   0.00463   1.48047
   A17        1.73673   0.00005   0.00067   0.00084   0.00152   1.73825
   A18        1.60696   0.00000  -0.00069  -0.00045  -0.00114   1.60582
   A19        1.69397   0.00001   0.00050  -0.00014   0.00036   1.69432
   A20        2.15754   0.00000  -0.00017   0.00031   0.00014   2.15768
   A21        2.36210   0.00008   0.00166   0.00211   0.00375   2.36585
   A22        0.66328  -0.00002  -0.00035  -0.00025  -0.00060   0.66269
   A23        0.66328  -0.00001  -0.00011   0.00001  -0.00010   0.66318
   A24        2.38515   0.00000  -0.00013  -0.00021  -0.00034   2.38481
   A25        2.19286   0.00000  -0.00011  -0.00017  -0.00028   2.19258
   A26        2.27879   0.00000  -0.00007  -0.00010  -0.00016   2.27863
   A27        2.01095   0.00001  -0.00019   0.00001  -0.00018   2.01077
   A28        1.78771   0.00000  -0.00010  -0.00016  -0.00026   1.78744
   A29        1.53842  -0.00001  -0.00017  -0.00019  -0.00036   1.53806
   A30        1.35497  -0.00002   0.00007  -0.00012  -0.00005   1.35492
   A31        1.65270  -0.00002  -0.00009  -0.00017  -0.00026   1.65244
   A32        1.60165  -0.00004  -0.00021  -0.00029  -0.00050   1.60115
   A33        1.75482  -0.00004  -0.00016  -0.00026  -0.00042   1.75440
   A34        2.04794  -0.00002  -0.00008  -0.00002  -0.00010   2.04784
   A35        1.67264   0.00008   0.00273   0.00181   0.00455   1.67719
   A36        1.80733   0.00005   0.00022   0.00077   0.00100   1.80833
   A37        1.53892   0.00001  -0.00079  -0.00026  -0.00104   1.53788
   A38        1.51889   0.00002   0.00055   0.00005   0.00059   1.51949
   A39        2.21992   0.00000  -0.00088  -0.00041  -0.00131   2.21861
   A40        2.28193   0.00010   0.00241   0.00235   0.00476   2.28669
   A41        0.70800  -0.00001  -0.00022  -0.00013  -0.00035   0.70766
   A42        0.77586  -0.00001  -0.00025  -0.00013  -0.00037   0.77549
   A43        2.68787  -0.00001  -0.00015  -0.00016  -0.00031   2.68756
   A44        2.59840  -0.00001  -0.00034  -0.00036  -0.00070   2.59771
   A45        2.62599  -0.00001  -0.00036  -0.00034  -0.00070   2.62529
   A46        2.31731  -0.00001  -0.00047  -0.00027  -0.00074   2.31657
   A47        2.19174  -0.00002  -0.00032  -0.00035  -0.00067   2.19106
   A48        1.94699  -0.00002  -0.00042  -0.00041  -0.00083   1.94616
   A49        1.12399  -0.00001   0.00031   0.00012   0.00043   1.12441
   A50        1.48591  -0.00001   0.00014   0.00009   0.00023   1.48613
   A51        1.59773  -0.00003  -0.00004  -0.00008  -0.00013   1.59760
   A52        1.83827  -0.00003  -0.00005  -0.00008  -0.00013   1.83814
   A53        1.80081   0.00000   0.00025   0.00029   0.00053   1.80134
   A54        1.47349   0.00008   0.00280   0.00202   0.00483   1.47832
   A55        1.48786   0.00006   0.00032   0.00090   0.00123   1.48909
   A56        1.16172   0.00002  -0.00051   0.00003  -0.00047   1.16124
   A57        1.11223   0.00003   0.00080   0.00028   0.00107   1.11330
   A58        1.86266   0.00001  -0.00076  -0.00046  -0.00124   1.86142
   A59        1.87793   0.00011   0.00274   0.00255   0.00530   1.88323
   A60        0.84017  -0.00001  -0.00012   0.00002  -0.00010   0.84007
   A61        0.78251   0.00000  -0.00002   0.00010   0.00008   0.78260
   A62        2.60245   0.00001   0.00052   0.00053   0.00105   2.60350
   A63        2.75294   0.00000   0.00011   0.00015   0.00026   2.75320
   A64        2.59722  -0.00002  -0.00081  -0.00056  -0.00137   2.59584
   A65        2.37576  -0.00001  -0.00006  -0.00002  -0.00009   2.37567
   A66        2.17501  -0.00002  -0.00034  -0.00025  -0.00060   2.17441
   A67        0.86435   0.00001   0.00070   0.00047   0.00117   0.86551
   A68        1.23931   0.00001   0.00056   0.00048   0.00104   1.24035
   A69        1.42665  -0.00001   0.00045   0.00041   0.00087   1.42752
   A70        1.70104  -0.00001   0.00046   0.00045   0.00091   1.70195
   A71        1.52063   0.00001   0.00060   0.00056   0.00116   1.52179
   A72        1.51133   0.00007   0.00216   0.00157   0.00374   1.51506
   A73        1.41294   0.00005  -0.00005   0.00052   0.00048   1.41342
   A74        1.03180   0.00002  -0.00059  -0.00005  -0.00064   1.03117
   A75        0.90830   0.00003   0.00068   0.00019   0.00086   0.90917
   A76        1.72022   0.00000  -0.00095  -0.00090  -0.00187   1.71835
   A77        1.66386   0.00011   0.00287   0.00237   0.00526   1.66912
   A78        2.00030   0.00000  -0.00005  -0.00018  -0.00023   2.00007
   A79        1.92697   0.00000   0.00001  -0.00008  -0.00007   1.92690
   A80        2.19345   0.00001   0.00011   0.00001   0.00012   2.19357
   A81        2.04209   0.00001   0.00000   0.00017   0.00017   2.04226
   A82        1.53565   0.00000   0.00004  -0.00005  -0.00001   1.53564
   A83        1.35556   0.00000  -0.00006  -0.00010  -0.00016   1.35541
   A84        1.18739  -0.00002  -0.00006  -0.00023  -0.00029   1.18710
   A85        1.37823  -0.00003  -0.00017  -0.00031  -0.00047   1.37776
   A86        1.21868  -0.00004  -0.00025  -0.00040  -0.00065   1.21803
   A87        1.33350  -0.00004  -0.00016  -0.00034  -0.00050   1.33301
   A88        1.80332  -0.00002  -0.00023  -0.00020  -0.00043   1.80290
   A89        2.10319   0.00008   0.00270   0.00187   0.00459   2.10778
   A90        2.19453   0.00005   0.00012   0.00080   0.00092   2.19546
   A91        1.85799   0.00001  -0.00069  -0.00004  -0.00073   1.85726
   A92        1.74465   0.00002   0.00050   0.00018   0.00067   1.74532
   A93        2.55798   0.00000  -0.00103  -0.00078  -0.00183   2.55614
   A94        2.46602   0.00009   0.00270   0.00197   0.00470   2.47072
   A95        1.91352   0.00000   0.00014   0.00002   0.00016   1.91368
   A96        1.97261   0.00001   0.00021   0.00013   0.00034   1.97295
   A97        2.33913   0.00001   0.00031   0.00019   0.00050   2.33963
   A98        2.28053   0.00002   0.00016   0.00034   0.00050   2.28103
   A99        1.63513   0.00000   0.00025   0.00018   0.00042   1.63555
   A100       1.52568   0.00000   0.00009   0.00010   0.00019   1.52587
   A101       0.88605  -0.00002  -0.00011  -0.00032  -0.00042   0.88562
   A102       1.06201  -0.00002  -0.00013  -0.00033  -0.00045   1.06156
   A103       0.93902  -0.00003  -0.00012  -0.00031  -0.00043   0.93859
   A104       1.10665  -0.00003   0.00001  -0.00018  -0.00017   1.10648
   A105       1.48686  -0.00002  -0.00019  -0.00022  -0.00041   1.48645
   A106       2.24934   0.00007   0.00255   0.00189   0.00445   2.25379
   A107       2.19312   0.00004  -0.00012   0.00057   0.00045   2.19357
   A108       1.79845   0.00001  -0.00060   0.00005  -0.00055   1.79790
   A109       1.61016   0.00002   0.00033   0.00013   0.00046   1.61062
   A110       2.42682   0.00000  -0.00104  -0.00121  -0.00227   2.42454
   A111       2.22792   0.00007   0.00248   0.00141   0.00393   2.23184
   A112       0.71318   0.00001   0.00013   0.00002   0.00015   0.71333
   A113       1.00539   0.00001   0.00019   0.00002   0.00021   1.00560
   A114       0.69403   0.00000   0.00002  -0.00002   0.00000   0.69402
   A115       0.98083   0.00000   0.00002  -0.00004  -0.00002   0.98080
   A116       1.79182   0.00000  -0.00008   0.00014   0.00006   1.79188
   A117       1.41395   0.00001   0.00005   0.00012   0.00017   1.41412
   A118       1.17741   0.00002   0.00009   0.00014   0.00022   1.17763
   A119       0.90170   0.00003   0.00005   0.00008   0.00012   0.90182
   A120       1.24491   0.00000  -0.00003   0.00003  -0.00001   1.24490
   A121       2.11972  -0.00007  -0.00267  -0.00192  -0.00459   2.11512
   A122       2.08398  -0.00005  -0.00009  -0.00060  -0.00069   2.08328
   A123       2.34425   0.00000   0.00100   0.00062   0.00161   2.34586
   A124       2.27902  -0.00001  -0.00028   0.00039   0.00012   2.27914
   A125       1.67810   0.00001   0.00102   0.00062   0.00165   1.67975
   A126       1.57763  -0.00009  -0.00182  -0.00201  -0.00382   1.57382
   A127       0.65758   0.00001   0.00014   0.00003   0.00017   0.65775
   A128       0.66171   0.00001   0.00004   0.00001   0.00005   0.66176
   A129       2.14396   0.00000  -0.00003   0.00014   0.00011   2.14407
   A130       1.77717   0.00001   0.00009   0.00012   0.00021   1.77738
   A131       1.47564   0.00002   0.00010   0.00012   0.00022   1.47586
   A132       1.18219   0.00002   0.00008   0.00007   0.00015   1.18233
   A133       1.63769   0.00000   0.00000   0.00003   0.00003   1.63772
   A134       1.98021  -0.00007  -0.00233  -0.00191  -0.00423   1.97598
   A135       2.11678  -0.00005  -0.00009  -0.00071  -0.00080   2.11598
   A136       2.49553  -0.00001   0.00061   0.00003   0.00063   2.49616
   A137       2.57140  -0.00002  -0.00043   0.00012  -0.00030   2.57110
   A138       1.79817   0.00000   0.00102   0.00085   0.00189   1.80006
   A139       1.80675  -0.00010  -0.00238  -0.00219  -0.00458   1.80217
   A140       0.70476   0.00001   0.00007   0.00001   0.00008   0.70483
   A141       0.83895   0.00001   0.00018   0.00010   0.00028   0.83922
   A142       2.49406   0.00001   0.00004   0.00015   0.00019   2.49425
   A143       2.11511   0.00002   0.00017   0.00014   0.00031   2.11543
   A144       1.88070   0.00003   0.00022   0.00014   0.00036   1.88106
   A145       1.59253   0.00003   0.00019   0.00008   0.00027   1.59280
   A146       1.85045   0.00001   0.00009   0.00003   0.00012   1.85057
   A147       1.55295  -0.00008  -0.00238  -0.00189  -0.00426   1.54868
   A148       1.73501  -0.00005  -0.00018  -0.00071  -0.00089   1.73412
   A149       2.13932  -0.00002   0.00017  -0.00033  -0.00016   2.13916
   A150       2.32905  -0.00003  -0.00063  -0.00028  -0.00090   2.32814
   A151       1.50169  -0.00001   0.00085   0.00096   0.00183   1.50352
   A152       1.61834  -0.00010  -0.00279  -0.00210  -0.00492   1.61342
   A153       0.76644   0.00001   0.00003   0.00010   0.00013   0.76657
   A154       0.77525   0.00002   0.00013   0.00024   0.00038   0.77563
   A155       2.79678   0.00001   0.00011   0.00016   0.00028   2.79706
   A156       2.41918   0.00002   0.00024   0.00014   0.00038   2.41957
   A157       2.12956   0.00002   0.00022   0.00015   0.00037   2.12993
   A158       1.83548   0.00003   0.00020   0.00011   0.00030   1.83578
   A159       2.16440   0.00001   0.00021  -0.00002   0.00019   2.16459
   A160       1.40266  -0.00007  -0.00184  -0.00174  -0.00357   1.39909
   A161       1.68005  -0.00005  -0.00009  -0.00073  -0.00083   1.67922
   A162       2.07680  -0.00003  -0.00018  -0.00076  -0.00094   2.07586
   A163       2.33647  -0.00003  -0.00055  -0.00062  -0.00117   2.33530
   A164       1.56909  -0.00001   0.00077   0.00088   0.00167   1.57075
   A165       1.76581  -0.00009  -0.00267  -0.00194  -0.00465   1.76116
   A166       2.11218  -0.00001   0.00002   0.00008   0.00010   2.11227
   A167       1.82257   0.00000   0.00009   0.00006   0.00015   1.82272
   A168       1.43281   0.00000   0.00008   0.00004   0.00011   1.43292
   A169       1.15711   0.00001   0.00008   0.00000   0.00008   1.15719
   A170       1.84664   0.00000  -0.00003   0.00001  -0.00002   1.84663
   A171       2.16386  -0.00005  -0.00159  -0.00154  -0.00312   2.16074
   A172       2.43096  -0.00004  -0.00010  -0.00067  -0.00078   2.43019
   A173       2.83737  -0.00002   0.00004  -0.00050  -0.00047   2.83690
   A174       2.18635   0.00000   0.00097   0.00091   0.00190   2.18825
   A175       2.21306  -0.00010  -0.00236  -0.00220  -0.00457   2.20849
   A176       2.20241  -0.00001  -0.00013  -0.00010  -0.00023   2.20218
   A177       1.99374  -0.00001  -0.00007  -0.00010  -0.00017   1.99357
   A178       1.58144  -0.00001  -0.00011  -0.00014  -0.00025   1.58119
   A179       1.33808   0.00000  -0.00007  -0.00015  -0.00022   1.33786
   A180       2.10148   0.00000  -0.00014  -0.00008  -0.00022   2.10126
   A181       2.06805  -0.00003  -0.00065  -0.00095  -0.00159   2.06646
   A182       2.42362  -0.00002   0.00010  -0.00037  -0.00027   2.42335
   A183       2.74845  -0.00001  -0.00065  -0.00091  -0.00157   2.74689
   A184       2.33033   0.00000   0.00097   0.00110   0.00210   2.33243
   A185       2.44429  -0.00009  -0.00254  -0.00212  -0.00468   2.43961
   A186       0.68984  -0.00001  -0.00009   0.00004  -0.00005   0.68978
   A187       0.98055  -0.00002  -0.00009   0.00007  -0.00001   0.98054
   A188       0.69650   0.00000  -0.00013   0.00012  -0.00001   0.69649
   A189       1.99789   0.00005   0.00122   0.00129   0.00249   2.00039
   A190       1.65688   0.00004   0.00002   0.00046   0.00049   1.65738
   A191       1.29976   0.00003   0.00042   0.00080   0.00122   1.30098
   A192       1.01359   0.00003   0.00043   0.00058   0.00101   1.01460
   A193       1.63391   0.00002  -0.00048  -0.00088  -0.00139   1.63251
   A194       1.36620   0.00008   0.00240   0.00134   0.00379   1.36999
   A195       0.66637  -0.00001   0.00001   0.00006   0.00007   0.66644
   A196       2.20635   0.00002   0.00023   0.00074   0.00094   2.20729
   A197       1.81662   0.00002  -0.00003   0.00031   0.00028   1.81689
   A198       1.53968   0.00002   0.00065   0.00098   0.00163   1.54131
   A199       1.25406   0.00002   0.00024   0.00064   0.00088   1.25495
   A200       1.64103   0.00003  -0.00007  -0.00064  -0.00073   1.64031
   A201       1.33185   0.00004   0.00177   0.00059   0.00242   1.33427
   A202       0.70986   0.00001  -0.00004   0.00013   0.00009   0.70995
   A203       2.61892   0.00002   0.00011   0.00068   0.00075   2.61967
   A204       2.22517   0.00002   0.00002   0.00031   0.00033   2.22551
   A205       1.94973   0.00002   0.00062   0.00099   0.00161   1.95134
   A206       1.66159   0.00002   0.00030   0.00067   0.00098   1.66257
   A207       1.98950   0.00004   0.00025  -0.00038  -0.00015   1.98935
   A208       1.67669   0.00003   0.00131   0.00014   0.00151   1.67820
   A209       0.83152   0.00000  -0.00011   0.00007  -0.00003   0.83148
   A210       2.76025  -0.00001  -0.00144  -0.00044  -0.00193   2.75832
   A211       2.38697   0.00000  -0.00004   0.00010   0.00006   2.38703
   A212       2.19637   0.00001   0.00076   0.00107   0.00184   2.19821
   A213       1.91651   0.00001   0.00021   0.00070   0.00092   1.91744
   A214       2.04872   0.00003   0.00051  -0.00012   0.00038   2.04910
   A215       1.75594  -0.00001   0.00050  -0.00051   0.00003   1.75597
   A216       1.94715   0.00000  -0.00067   0.00000  -0.00070   1.94645
   A217       1.55782   0.00001   0.00007   0.00007   0.00014   1.55795
   A218       1.40972   0.00002   0.00106   0.00106   0.00212   1.41184
   A219       1.16843   0.00001   0.00012   0.00062   0.00075   1.16919
   A220       1.27967   0.00003   0.00028  -0.00052  -0.00025   1.27942
   A221       0.96689   0.00002   0.00132  -0.00001   0.00138   0.96827
   A222       0.69825   0.00002   0.00073   0.00045   0.00119   0.69944
   A223       0.98595   0.00002   0.00067   0.00061   0.00126   0.98721
   A224       0.71287  -0.00005  -0.00221  -0.00054  -0.00274   0.71013
   A225       1.00478  -0.00001  -0.00188   0.00013  -0.00183   1.00294
   A226       0.65889   0.00001  -0.00045   0.00004  -0.00041   0.65848
   A227       0.65626   0.00002   0.00011   0.00087   0.00095   0.65721
   A228       0.70233  -0.00002  -0.00029  -0.00059  -0.00090   0.70143
   A229       0.76759   0.00009   0.00275   0.00264   0.00537   0.77296
   A230       0.82784  -0.00002  -0.00149  -0.00120  -0.00270   0.82514
   A231       0.76632   0.00008   0.00199   0.00226   0.00426   0.77058
   A232       1.70904  -0.00004  -0.00053  -0.00063  -0.00116   1.70787
   A233       1.78346   0.00013   0.00407   0.00298   0.00704   1.79050
   A234       2.19150  -0.00001  -0.00035   0.00021  -0.00015   2.19135
   A235       2.12921  -0.00003   0.00014  -0.00033  -0.00020   2.12902
   A236       1.96227   0.00004   0.00023   0.00013   0.00038   1.96265
   A237       2.12370   0.00000   0.00039  -0.00002   0.00036   2.12406
   A238       2.12238  -0.00001  -0.00039  -0.00003  -0.00042   2.12195
   A239       2.03658   0.00001   0.00009   0.00013   0.00022   2.03680
   A240       1.71342   0.00005   0.00110   0.00103   0.00214   1.71556
   A241       2.64957  -0.00005  -0.00115  -0.00110  -0.00225   2.64732
   A242       1.91234   0.00003   0.00007  -0.00006   0.00000   1.91234
   A243       1.91370  -0.00001  -0.00043  -0.00031  -0.00073   1.91297
   A244       1.92469  -0.00001   0.00000   0.00021   0.00021   1.92489
   A245       1.90720  -0.00001   0.00005   0.00008   0.00013   1.90733
   A246       1.91148   0.00000   0.00007   0.00012   0.00018   1.91166
   A247       1.89426   0.00000   0.00024  -0.00003   0.00021   1.89447
   A248       1.37232  -0.00002  -0.00031  -0.00039  -0.00070   1.37162
   A249       1.90641   0.00001   0.00008   0.00008   0.00016   1.90657
   A250       1.90786   0.00000   0.00005   0.00009   0.00014   1.90800
   A251       1.93075  -0.00002   0.00000  -0.00016  -0.00017   1.93059
   A252       1.91151   0.00001   0.00005  -0.00001   0.00003   1.91154
   A253       1.89507  -0.00001   0.00000   0.00003   0.00003   1.89510
   A254       1.91212   0.00001  -0.00017  -0.00002  -0.00020   1.91192
   A255       1.71686   0.00000  -0.00010  -0.00006  -0.00015   1.71670
   A256       1.78094   0.00001   0.00012   0.00014   0.00026   1.78121
   A257       2.18989   0.00000  -0.00003   0.00004   0.00001   2.18990
   A258       2.13034   0.00000   0.00004   0.00001   0.00005   2.13038
   A259       1.96275   0.00001  -0.00002  -0.00004  -0.00005   1.96270
   A260       2.12269   0.00000   0.00002   0.00004   0.00006   2.12275
   A261       2.12500  -0.00001   0.00000  -0.00010  -0.00010   2.12490
   A262       2.03544   0.00001  -0.00003   0.00006   0.00003   2.03548
   A263       1.34896   0.00001   0.00015   0.00042   0.00057   1.34954
   A264       1.90038   0.00000  -0.00017   0.00006  -0.00011   1.90027
   A265       1.93179   0.00000   0.00015  -0.00009   0.00006   1.93185
   A266       1.90926   0.00001  -0.00009   0.00008  -0.00001   1.90924
   A267       1.89831   0.00000  -0.00008  -0.00003  -0.00011   1.89820
   A268       1.91314   0.00000   0.00044  -0.00003   0.00041   1.91356
   A269       1.91085  -0.00001  -0.00024   0.00000  -0.00024   1.91061
   A270       2.64179  -0.00002  -0.00046  -0.00046  -0.00091   2.64088
   A271       1.72236   0.00002   0.00049   0.00048   0.00096   1.72333
   A272       1.92400  -0.00001  -0.00013  -0.00019  -0.00032   1.92367
   A273       1.91519   0.00000   0.00007   0.00004   0.00010   1.91529
   A274       1.91450   0.00002   0.00001   0.00008   0.00008   1.91458
   A275       1.89439  -0.00001   0.00012   0.00006   0.00017   1.89456
   A276       1.91047   0.00000   0.00002   0.00000   0.00002   1.91049
   A277       1.90508  -0.00001  -0.00008   0.00002  -0.00006   1.90502
   A278       1.82262   0.00003   0.00081   0.00050   0.00131   1.82393
   A279       1.74558  -0.00002  -0.00032  -0.00035  -0.00067   1.74491
   A280       2.18947   0.00001  -0.00009   0.00008  -0.00001   2.18946
   A281       2.13054   0.00000   0.00008   0.00001   0.00009   2.13064
   A282       1.96309   0.00000   0.00001  -0.00009  -0.00008   1.96301
   A283       2.12181  -0.00003  -0.00009  -0.00011  -0.00019   2.12162
   A284       2.11518   0.00001   0.00015   0.00008   0.00023   2.11540
   A285       2.04181   0.00003  -0.00010   0.00001  -0.00009   2.04173
   A286       2.70723   0.00001   0.00024   0.00023   0.00047   2.70770
   A287       1.65144  -0.00001  -0.00029  -0.00024  -0.00053   1.65091
   A288       1.92622   0.00000   0.00005   0.00038   0.00043   1.92665
   A289       1.91415  -0.00002   0.00002  -0.00014  -0.00012   1.91403
   A290       1.91205   0.00001   0.00002   0.00001   0.00003   1.91208
   A291       1.89152   0.00000  -0.00005  -0.00017  -0.00022   1.89130
   A292       1.91275   0.00000  -0.00004  -0.00005  -0.00009   1.91265
   A293       1.90694   0.00001   0.00001  -0.00004  -0.00003   1.90691
   A294       1.36739   0.00001   0.00054   0.00012   0.00066   1.36805
   A295       1.14389  -0.00001  -0.00028  -0.00022  -0.00050   1.14339
   A296       1.93258   0.00000  -0.00008   0.00004  -0.00003   1.93255
   A297       1.90566   0.00001   0.00005   0.00047   0.00052   1.90618
   A298       1.90257  -0.00001  -0.00006  -0.00017  -0.00023   1.90234
   A299       1.90972  -0.00001   0.00004  -0.00005  -0.00001   1.90971
   A300       1.89813   0.00001  -0.00008  -0.00004  -0.00012   1.89801
   A301       1.91513   0.00000   0.00013  -0.00027  -0.00014   1.91499
   A302       1.83093   0.00016   0.00224   0.00168   0.00400   1.83493
   A303       1.63059   0.00006  -0.00512  -0.00084  -0.00601   1.62458
   A304       2.19865  -0.00001  -0.00145   0.00113  -0.00031   2.19835
   A305       2.12722  -0.00003   0.00509  -0.00134   0.00376   2.13098
   A306       1.95697   0.00005  -0.00366   0.00022  -0.00349   1.95348
   A307       2.13399   0.00000   0.00377   0.00044   0.00422   2.13822
   A308       2.11720  -0.00003  -0.00484   0.00028  -0.00456   2.11264
   A309       2.03189   0.00002   0.00125  -0.00068   0.00044   2.03233
   A310       1.69386  -0.00010  -0.00268  -0.00313  -0.00576   1.68810
   A311       2.66879   0.00007   0.00037   0.00270   0.00302   2.67181
   A312       1.90930   0.00002  -0.00127   0.00028  -0.00098   1.90832
   A313       1.91725  -0.00001  -0.00042  -0.00016  -0.00058   1.91668
   A314       1.91287  -0.00003  -0.00337  -0.00005  -0.00345   1.90942
   A315       1.91470   0.00003   0.00245   0.00040   0.00285   1.91755
   A316       1.91884  -0.00002   0.00475   0.00015   0.00491   1.92375
   A317       1.89081   0.00001  -0.00213  -0.00063  -0.00277   1.88803
   A318       1.36466   0.00041   0.01294   0.01328   0.02614   1.39080
   A319       1.91342   0.00014   0.00153  -0.00143   0.00011   1.91354
   A320       1.89756   0.00030  -0.00169   0.00461   0.00266   1.90022
   A321       1.93912  -0.00021   0.00210  -0.00366  -0.00150   1.93762
   A322       1.89973  -0.00004  -0.00538   0.00096  -0.00436   1.89537
   A323       1.91870  -0.00021   0.00270  -0.00071   0.00199   1.92069
   A324       1.89468   0.00002   0.00051   0.00040   0.00103   1.89571
   A325       2.91899  -0.00002  -0.00055  -0.00047  -0.00102   2.91797
   A326       3.31183   0.00001   0.00030  -0.00033  -0.00003   3.31180
   A327       3.02858   0.00001   0.00032  -0.00030   0.00001   3.02860
   A328       3.28443  -0.00001  -0.00048  -0.00042  -0.00090   3.28354
   A329       3.25981   0.00001  -0.00009   0.00042   0.00034   3.26015
   A330       3.27711   0.00000   0.00058   0.00008   0.00066   3.27777
   A331       3.28336   0.00020   0.01564   0.01257   0.02813   3.31149
   A332       3.20546   0.00002   0.00071   0.00058   0.00129   3.20676
   A333       3.12582  -0.00002  -0.00039  -0.00052  -0.00091   3.12491
   A334       3.07627  -0.00002  -0.00041  -0.00052  -0.00093   3.07534
   A335       3.22536   0.00000   0.00089   0.00019   0.00108   3.22644
   A336       3.07454   0.00000  -0.00059  -0.00003  -0.00062   3.07392
   A337       3.10159   0.00000  -0.00009  -0.00030  -0.00039   3.10120
   A338       3.06899   0.00017  -0.00379   0.00229  -0.00146   3.06753
    D1        2.73999   0.00000  -0.00009   0.00063   0.00054   2.74053
    D2       -1.35696   0.00000   0.00118   0.00101   0.00219  -1.35477
    D3        2.71013   0.00001   0.00010   0.00096   0.00106   2.71119
    D4       -1.38682   0.00001   0.00137   0.00134   0.00271  -1.38410
    D5        1.61456  -0.00001  -0.00055   0.00031  -0.00024   1.61431
    D6       -2.48239  -0.00001   0.00072   0.00069   0.00141  -2.48098
    D7        1.76881   0.00000  -0.00034   0.00054   0.00020   1.76901
    D8       -2.32814   0.00000   0.00092   0.00093   0.00185  -2.32629
    D9        0.23086   0.00001  -0.00009   0.00063   0.00054   0.23140
   D10        2.41710   0.00001   0.00118   0.00102   0.00219   2.41929
   D11       -0.03409   0.00000  -0.00044   0.00041  -0.00003  -0.03411
   D12        2.15215   0.00000   0.00083   0.00079   0.00162   2.15377
   D13       -0.49533  -0.00001  -0.00061   0.00037  -0.00024  -0.49556
   D14        1.69091  -0.00001   0.00066   0.00076   0.00142   1.69233
   D15       -0.61595  -0.00002  -0.00077   0.00013  -0.00063  -0.61658
   D16        1.57029  -0.00002   0.00050   0.00052   0.00102   1.57130
   D17        0.15155  -0.00001  -0.00074   0.00022  -0.00052   0.15103
   D18        2.33779  -0.00001   0.00053   0.00060   0.00113   2.33892
   D19        0.10200  -0.00001  -0.00077   0.00023  -0.00055   0.10145
   D20        2.28824  -0.00001   0.00050   0.00061   0.00111   2.28934
   D21        2.28398  -0.00002  -0.00084   0.00019  -0.00066   2.28332
   D22       -1.81297  -0.00002   0.00043   0.00057   0.00099  -1.81198
   D23        2.03151  -0.00002  -0.00089   0.00007  -0.00081   2.03069
   D24       -2.06544  -0.00002   0.00038   0.00045   0.00084  -2.06460
   D25        1.59256   0.00000  -0.00073   0.00019  -0.00055   1.59202
   D26       -2.50438   0.00000   0.00054   0.00057   0.00110  -2.50328
   D27        1.28487   0.00001  -0.00062   0.00024  -0.00039   1.28449
   D28       -2.81208   0.00001   0.00065   0.00062   0.00126  -2.81081
   D29        2.22299  -0.00003  -0.00148  -0.00027  -0.00175   2.22124
   D30       -1.87396  -0.00004  -0.00021   0.00012  -0.00010  -1.87406
   D31       -2.01071   0.00004   0.00086   0.00177   0.00261  -2.00810
   D32        0.17553   0.00004   0.00213   0.00215   0.00426   0.17979
   D33       -2.30952   0.00002  -0.00076   0.00075  -0.00001  -2.30953
   D34       -0.12329   0.00002   0.00051   0.00113   0.00164  -0.12165
   D35       -2.69734   0.00001  -0.00053   0.00093   0.00040  -2.69694
   D36       -0.51110   0.00001   0.00074   0.00131   0.00205  -0.50905
   D37       -2.97427   0.00001  -0.00036   0.00074   0.00038  -2.97389
   D38       -0.78803   0.00001   0.00091   0.00112   0.00204  -0.78600
   D39       -2.23094  -0.00001  -0.00180  -0.00112  -0.00295  -2.23390
   D40       -0.04471  -0.00002  -0.00053  -0.00074  -0.00130  -0.04601
   D41       -2.54082   0.00006   0.00226   0.00180   0.00415  -2.53667
   D42       -0.35458   0.00006   0.00353   0.00218   0.00580  -0.34879
   D43        1.34697   0.00001   0.00012  -0.00036  -0.00024   1.34674
   D44       -1.98214   0.00002   0.00055   0.00034   0.00090  -1.98124
   D45        2.49463   0.00001  -0.00033  -0.00041  -0.00074   2.49389
   D46       -0.83448   0.00002   0.00010   0.00029   0.00039  -0.83409
   D47        2.95515   0.00001  -0.00024  -0.00030  -0.00054   2.95461
   D48       -0.37396   0.00002   0.00019   0.00041   0.00059  -0.37337
   D49        2.85855  -0.00003  -0.00147  -0.00177  -0.00324   2.85531
   D50       -0.47056  -0.00002  -0.00104  -0.00106  -0.00210  -0.47266
   D51        2.03755  -0.00001  -0.00107  -0.00128  -0.00234   2.03521
   D52       -1.29156  -0.00001  -0.00064  -0.00057  -0.00121  -1.29277
   D53        1.16862   0.00000  -0.00075  -0.00073  -0.00148   1.16714
   D54       -2.16049   0.00000  -0.00032  -0.00002  -0.00034  -2.16083
   D55        1.05372  -0.00001  -0.00069  -0.00096  -0.00165   1.05207
   D56       -2.27539  -0.00001  -0.00026  -0.00026  -0.00052  -2.27590
   D57        2.04831  -0.00001  -0.00096  -0.00112  -0.00208   2.04623
   D58       -1.28080   0.00000  -0.00053  -0.00041  -0.00095  -1.28175
   D59        1.87574   0.00000  -0.00073  -0.00090  -0.00163   1.87411
   D60       -1.45337   0.00000  -0.00030  -0.00020  -0.00049  -1.45387
   D61       -2.29600  -0.00001  -0.00068  -0.00086  -0.00155  -2.29755
   D62        0.65808  -0.00001  -0.00025  -0.00016  -0.00041   0.65766
   D63       -2.41498  -0.00002  -0.00078  -0.00101  -0.00179  -2.41677
   D64        0.53910  -0.00001  -0.00035  -0.00031  -0.00066   0.53844
   D65       -2.81456  -0.00002  -0.00088  -0.00110  -0.00198  -2.81654
   D66        0.13952  -0.00002  -0.00045  -0.00040  -0.00085   0.13867
   D67       -2.98606  -0.00002  -0.00091  -0.00118  -0.00210  -2.98816
   D68       -0.03198  -0.00001  -0.00048  -0.00048  -0.00097  -0.03295
   D69       -2.12723  -0.00002  -0.00099  -0.00107  -0.00206  -2.12929
   D70        0.82684  -0.00002  -0.00056  -0.00036  -0.00092   0.82592
   D71       -0.19202   0.00000  -0.00109  -0.00064  -0.00174  -0.19376
   D72        2.76206   0.00000  -0.00066   0.00007  -0.00061   2.76145
   D73       -0.58928   0.00000  -0.00086  -0.00081  -0.00167  -0.59095
   D74        2.36479   0.00000  -0.00043  -0.00011  -0.00054   2.36425
   D75       -0.84132   0.00001  -0.00009   0.00002  -0.00007  -0.84139
   D76        2.11275   0.00001   0.00034   0.00072   0.00106   2.11382
   D77       -1.15580   0.00001  -0.00053  -0.00031  -0.00084  -1.15664
   D78        1.79828   0.00001  -0.00010   0.00039   0.00029   1.79857
   D79       -0.79619   0.00001  -0.00076  -0.00162  -0.00240  -0.79859
   D80        2.15789   0.00001  -0.00033  -0.00091  -0.00126   2.15662
   D81       -1.12400   0.00001   0.00067  -0.00081  -0.00009  -1.12409
   D82        1.83007   0.00001   0.00110  -0.00011   0.00104   1.83111
   D83       -1.49921  -0.00001   0.00007  -0.00031  -0.00024  -1.49945
   D84       -2.59884   0.00002   0.00041   0.00016   0.00056  -2.59828
   D85       -2.96783   0.00003   0.00082   0.00052   0.00134  -2.96649
   D86        0.71521   0.00000  -0.00007  -0.00042  -0.00049   0.71472
   D87        0.29690   0.00000  -0.00011  -0.00043  -0.00054   0.29636
   D88       -0.08691  -0.00001  -0.00020  -0.00034  -0.00054  -0.08745
   D89       -0.41333  -0.00001  -0.00027  -0.00043  -0.00070  -0.41403
   D90        0.18381   0.00000  -0.00018  -0.00049  -0.00067   0.18314
   D91       -0.04238  -0.00001  -0.00008  -0.00042  -0.00050  -0.04288
   D92        2.36134   0.00000  -0.00016  -0.00030  -0.00046   2.36088
   D93        2.01848   0.00000  -0.00008  -0.00039  -0.00047   2.01801
   D94        1.62049   0.00000  -0.00012  -0.00044  -0.00056   1.61993
   D95        1.33726   0.00000  -0.00012  -0.00049  -0.00062   1.33664
   D96        2.02980  -0.00001  -0.00021  -0.00050  -0.00070   2.02910
   D97       -2.06645   0.00003   0.00059   0.00065   0.00123  -2.06523
   D98       -2.52800   0.00000  -0.00024  -0.00028  -0.00053  -2.52853
   D99       -2.78467   0.00001   0.00071   0.00057   0.00128  -2.78339
   D100      -3.05836   0.00000  -0.00001   0.00016   0.00016  -3.05820
   D101      -2.86019   0.00001   0.00000  -0.00171  -0.00173  -2.86193
   D102       2.90912  -0.00007  -0.00016  -0.00222  -0.00232   2.90680
   D103      -2.85891  -0.00003  -0.00100  -0.00075  -0.00175  -2.86066
   D104       1.23480  -0.00003  -0.00105  -0.00078  -0.00183   1.23297
   D105       2.87731  -0.00001  -0.00010  -0.00012  -0.00022   2.87709
   D106       0.68784  -0.00001  -0.00015  -0.00016  -0.00030   0.68754
   D107       2.37722   0.00002   0.00067   0.00072   0.00138   2.37860
   D108       0.18775   0.00002   0.00062   0.00068   0.00130   0.18905
   D109       1.79017   0.00003   0.00060   0.00047   0.00108   1.79125
   D110      -0.39930   0.00003   0.00055   0.00043   0.00099  -0.39831
   D111       2.63465  -0.00001  -0.00020  -0.00028  -0.00047   2.63418
   D112       0.44518  -0.00001  -0.00025  -0.00031  -0.00056   0.44462
   D113       2.30544  -0.00001  -0.00023  -0.00036  -0.00059   2.30485
   D114       0.11597  -0.00001  -0.00028  -0.00040  -0.00068   0.11529
   D115      -1.60985   0.00001   0.00002  -0.00008  -0.00006  -1.60991
   D116       2.48386   0.00001  -0.00003  -0.00011  -0.00014   2.48372
   D117      -1.77217   0.00001  -0.00012   0.00003  -0.00008  -1.77226
   D118       2.32154   0.00001  -0.00017   0.00000  -0.00017   2.32137
   D119      -2.73487   0.00000   0.00002  -0.00010  -0.00008  -2.73495
   D120       1.35884   0.00000  -0.00003  -0.00013  -0.00016   1.35869
   D121      -2.70799  -0.00001  -0.00021  -0.00027  -0.00048  -2.70847
   D122       1.38573  -0.00001  -0.00026  -0.00030  -0.00056   1.38516
   D123       1.38831   0.00002  -0.00010  -0.00007  -0.00016   1.38815
   D124      -0.80116   0.00002  -0.00015  -0.00010  -0.00025  -0.80140
   D125       1.35343   0.00002  -0.00005  -0.00005  -0.00009   1.35334
   D126      -0.83604   0.00002  -0.00010  -0.00008  -0.00018  -0.83622
   D127       1.70836   0.00002   0.00003   0.00001   0.00003   1.70840
   D128      -0.48111   0.00002  -0.00002  -0.00003  -0.00005  -0.48115
   D129       1.82787   0.00002  -0.00004  -0.00002  -0.00006   1.82781
   D130      -0.36160   0.00002  -0.00009  -0.00006  -0.00014  -0.36174
   D131       0.95086   0.00002   0.00006  -0.00012  -0.00005   0.95080
   D132      -1.23861   0.00002   0.00001  -0.00015  -0.00014  -1.23875
   D133      -0.87062   0.00000   0.00037  -0.00050  -0.00011  -0.87073
   D134      -3.06010   0.00000   0.00032  -0.00053  -0.00019  -3.06029
   D135      -0.41228  -0.00002  -0.00005  -0.00049  -0.00054  -0.41282
   D136      -2.60175  -0.00001  -0.00009  -0.00053  -0.00062  -2.60238
   D137      -0.01761  -0.00002  -0.00067  -0.00136  -0.00204  -0.01965
   D138      -2.20708  -0.00002  -0.00072  -0.00139  -0.00212  -2.20920
   D139       0.36574  -0.00003  -0.00068  -0.00086  -0.00154   0.36420
   D140      -1.82373  -0.00003  -0.00073  -0.00089  -0.00162  -1.82535
   D141      -0.27182  -0.00001   0.00017   0.00068   0.00088  -0.27094
   D142      -2.46129  -0.00001   0.00012   0.00065   0.00080  -2.46049
   D143       0.02573  -0.00004  -0.00215  -0.00098  -0.00318   0.02255
   D144      -2.16374  -0.00004  -0.00220  -0.00101  -0.00326  -2.16700
   D145      -2.47589  -0.00002  -0.00106  -0.00065  -0.00171  -2.47760
   D146      -2.70318  -0.00001  -0.00043  -0.00031  -0.00074  -2.70392
   D147      -2.35372  -0.00001  -0.00054  -0.00046  -0.00099  -2.35471
   D148       3.04007  -0.00001  -0.00045  -0.00038  -0.00082   3.03925
   D149       2.67184   0.00000  -0.00034  -0.00033  -0.00067   2.67117
   D150       1.51566   0.00000  -0.00033  -0.00008  -0.00040   1.51525
   D151       2.61485  -0.00001  -0.00044  -0.00014  -0.00057   2.61428
   D152       2.98158  -0.00001  -0.00058  -0.00027  -0.00086   2.98072
   D153       1.28236   0.00001  -0.00054  -0.00010  -0.00063   1.28173
   D154       1.30941   0.00001  -0.00043  -0.00006  -0.00049   1.30892
   D155       1.68690   0.00002  -0.00030   0.00002  -0.00028   1.68662
   D156       1.74666   0.00001  -0.00036  -0.00002  -0.00038   1.74628
   D157       0.94416   0.00001  -0.00030  -0.00012  -0.00042   0.94374
   D158      -1.01354   0.00003   0.00112   0.00044   0.00159  -1.01195
   D159      -0.66054   0.00001  -0.00034   0.00001  -0.00032  -0.66086
   D160      -0.61210  -0.00002  -0.00169  -0.00134  -0.00303  -0.61513
   D161      -0.33329  -0.00002  -0.00054  -0.00100  -0.00155  -0.33484
   D162      -0.30173  -0.00002  -0.00085   0.00011  -0.00073  -0.30246
   D163      -0.01059   0.00002  -0.00079   0.00056  -0.00028  -0.01086
   D164      -1.25405  -0.00003  -0.00111  -0.00062  -0.00174  -1.25578
   D165       1.70285  -0.00003  -0.00052  -0.00029  -0.00081   1.70204
   D166      -1.61449  -0.00002  -0.00047  -0.00022  -0.00069  -1.61518
   D167       1.34241  -0.00001   0.00013   0.00011   0.00023   1.34265
   D168      -1.68173  -0.00001  -0.00023   0.00004  -0.00019  -1.68192
   D169       1.27517  -0.00001   0.00037   0.00036   0.00074   1.27590
   D170      -1.97724   0.00002   0.00053   0.00073   0.00127  -1.97597
   D171       0.97966   0.00002   0.00113   0.00106   0.00220   0.98186
   D172      -1.96644  -0.00002  -0.00054  -0.00035  -0.00089  -1.96733
   D173       0.99045  -0.00002   0.00006  -0.00002   0.00004   0.99049
   D174      -2.26733  -0.00001  -0.00045  -0.00031  -0.00076  -2.26808
   D175       0.68957  -0.00001   0.00015   0.00002   0.00017   0.68974
   D176       1.97935  -0.00001  -0.00034  -0.00012  -0.00046   1.97889
   D177      -1.34693  -0.00001   0.00026   0.00021   0.00047  -1.34647
   D178       0.83321  -0.00001  -0.00050  -0.00016  -0.00066   0.83255
   D179      -2.49308  -0.00001   0.00009   0.00017   0.00026  -2.49281
   D180       0.36801   0.00000  -0.00064  -0.00006  -0.00070   0.36730
   D181      -2.95828   0.00000  -0.00005   0.00027   0.00022  -2.95806
   D182      -3.06159   0.00001  -0.00049  -0.00001  -0.00050  -3.06209
   D183      -0.10469   0.00001   0.00010   0.00032   0.00043  -0.10426
   D184       2.95422   0.00001  -0.00037  -0.00001  -0.00038   2.95384
   D185      -0.37206   0.00001   0.00023   0.00032   0.00054  -0.37152
   D186       3.09662   0.00002  -0.00029   0.00005  -0.00024   3.09638
   D187      -0.22967   0.00002   0.00031   0.00037   0.00069  -0.22898
   D188       2.98981   0.00002  -0.00035  -0.00001  -0.00036   2.98945
   D189      -0.33648   0.00002   0.00025   0.00032   0.00057  -0.33591
   D190       2.51419   0.00001  -0.00032  -0.00013  -0.00044   2.51375
   D191      -0.81210   0.00001   0.00028   0.00020   0.00048  -0.81161
   D192       0.23394   0.00006   0.00226   0.00132   0.00360   0.23754
   D193      -3.09235   0.00006   0.00286   0.00165   0.00453  -3.08782
   D194       0.63007   0.00003  -0.00033   0.00020  -0.00013   0.62994
   D195      -2.69622   0.00003   0.00027   0.00053   0.00080  -2.69542
   D196       0.59102  -0.00003  -0.00413  -0.00329  -0.00741   0.58361
   D197      -2.73526  -0.00003  -0.00353  -0.00296  -0.00649  -2.74175
   D198       1.10934  -0.00003  -0.00081   0.00035  -0.00044   1.10890
   D199      -2.21695  -0.00002  -0.00021   0.00068   0.00049  -2.21646
   D200       1.49644  -0.00003  -0.00227  -0.00041  -0.00274   1.49370
   D201      -1.82985  -0.00002  -0.00167  -0.00008  -0.00181  -1.83166
   D202       1.64316   0.00003   0.00108   0.00063   0.00170   1.64487
   D203      -0.57387   0.00003   0.00080   0.00057   0.00137  -0.57250
   D204       1.68193   0.00002   0.00066   0.00041   0.00108   1.68301
   D205      -0.53509   0.00002   0.00038   0.00035   0.00074  -0.53436
   D206       1.32425   0.00002   0.00083   0.00052   0.00136   1.32560
   D207      -0.89278   0.00002   0.00055   0.00046   0.00102  -0.89176
   D208       1.17327   0.00001   0.00059   0.00017   0.00076   1.17404
   D209      -1.04375   0.00001   0.00031   0.00011   0.00042  -1.04333
   D210       2.09836   0.00002   0.00058   0.00044   0.00101   2.09938
   D211      -0.11866   0.00002   0.00029   0.00038   0.00067  -0.11799
   D212       2.21266   0.00001   0.00031   0.00027   0.00057   2.21323
   D213      -0.00437   0.00001   0.00003   0.00021   0.00023  -0.00413
   D214      -2.23547   0.00001   0.00054   0.00018   0.00072  -2.23475
   D215       1.83069   0.00001   0.00026   0.00012   0.00038   1.83107
   D216      -2.42575   0.00000   0.00056   0.00016   0.00072  -2.42503
   D217       1.64041   0.00000   0.00028   0.00010   0.00039   1.64079
   D218      -2.07982   0.00001   0.00070   0.00020   0.00090  -2.07892
   D219       1.98634   0.00001   0.00042   0.00014   0.00056   1.98690
   D220      -2.28268   0.00000   0.00047   0.00040   0.00087  -2.28181
   D221       1.78348   0.00000   0.00019   0.00035   0.00053   1.78401
   D222      -2.90487   0.00000   0.00058   0.00014   0.00072  -2.90415
   D223       1.16129   0.00000   0.00030   0.00009   0.00038   1.16167
   D224       3.04988   0.00000   0.00055   0.00011   0.00066   3.05054
   D225       0.83286   0.00000   0.00027   0.00005   0.00032   0.83317
   D226      -2.70963  -0.00001   0.00028   0.00006   0.00033  -2.70930
   D227       1.35653  -0.00001   0.00000   0.00000  -0.00001   1.35652
   D228      -2.64891  -0.00001   0.00044   0.00013   0.00058  -2.64833
   D229       1.41725  -0.00001   0.00016   0.00007   0.00024   1.41749
   D230      -1.55958   0.00001   0.00038   0.00016   0.00054  -1.55904
   D231       2.50658   0.00001   0.00010   0.00010   0.00020   2.50678
   D232       0.09657  -0.00005  -0.00216  -0.00129  -0.00347   0.09309
   D233      -2.12046  -0.00005  -0.00244  -0.00135  -0.00381  -2.12427
   D234      -0.11260  -0.00003   0.00044  -0.00028   0.00016  -0.11244
   D235      -2.32963  -0.00003   0.00016  -0.00033  -0.00018  -2.32981
   D236       0.08408   0.00001   0.00161   0.00083   0.00245   0.08652
   D237      -2.13295   0.00001   0.00133   0.00078   0.00211  -2.13084
   D238       0.03704  -0.00001   0.00016   0.00043   0.00059   0.03763
   D239      -2.17999  -0.00001  -0.00013   0.00037   0.00026  -2.17973
   D240      -0.54017   0.00003   0.00147   0.00062   0.00210  -0.53807
   D241      -2.75719   0.00002   0.00119   0.00056   0.00176  -2.75544
   D242      -0.70415  -0.00007  -0.00079  -0.00164  -0.00240  -0.70656
   D243      -2.92118  -0.00007  -0.00107  -0.00170  -0.00274  -2.92392
   D244      -2.90092   0.00001   0.00119   0.00064   0.00182  -2.89909
   D245       0.01052   0.00001   0.00011   0.00007   0.00018   0.01069
   D246      -3.11783   0.00001   0.00120   0.00066   0.00186  -3.11596
   D247      -0.20639   0.00001   0.00012   0.00009   0.00022  -0.20618
   D248       2.75663   0.00003   0.00145   0.00088   0.00233   2.75896
   D249      -0.61512   0.00003   0.00037   0.00031   0.00068  -0.61444
   D250       2.52368   0.00002   0.00139   0.00074   0.00213   2.52581
   D251      -0.84807   0.00002   0.00032   0.00016   0.00048  -0.84759
   D252      -2.91631   0.00001   0.00107   0.00056   0.00162  -2.91469
   D253      -0.00488   0.00001  -0.00001  -0.00002  -0.00002  -0.00490
   D254      -3.08616   0.00001   0.00084   0.00026   0.00109  -3.08507
   D255      -0.17473   0.00001  -0.00024  -0.00032  -0.00055  -0.17528
   D256      -0.66032   0.00002   0.00113   0.00054   0.00167  -0.65865
   D257       2.25111   0.00002   0.00006  -0.00003   0.00002   2.25114
   D258      -0.92499   0.00002   0.00110   0.00052   0.00162  -0.92337
   D259       1.98645   0.00001   0.00003  -0.00005  -0.00003   1.98642
   D260      -0.78132   0.00001   0.00110   0.00047   0.00157  -0.77975
   D261       2.13011   0.00001   0.00003  -0.00010  -0.00007   2.13004
   D262      -0.99780   0.00001   0.00090   0.00052   0.00143  -0.99637
   D263       1.91364   0.00000  -0.00018  -0.00005  -0.00022   1.91342
   D264      -1.33229   0.00002   0.00112   0.00054   0.00166  -1.33062
   D265       1.57915   0.00001   0.00005  -0.00003   0.00002   1.57916
   D266      -1.57909   0.00001   0.00103   0.00047   0.00149  -1.57760
   D267       1.33234   0.00001  -0.00005  -0.00011  -0.00016   1.33218
   D268       1.97796   0.00000   0.00086   0.00046   0.00132   1.97927
   D269      -1.39379   0.00000  -0.00022  -0.00012  -0.00033  -1.39412
   D270       0.86158   0.00000   0.00099   0.00038   0.00137   0.86295
   D271      -2.51017   0.00000  -0.00008  -0.00019  -0.00028  -2.51044
   D272       1.33432  -0.00008  -0.00410  -0.00290  -0.00703   1.32729
   D273      -2.03743  -0.00009  -0.00518  -0.00347  -0.00867  -2.04611
   D274       1.26972  -0.00003   0.00108  -0.00018   0.00089   1.27060
   D275      -2.10203  -0.00003   0.00000  -0.00076  -0.00076  -2.10279
   D276       1.61660   0.00002   0.00212   0.00103   0.00315   1.61975
   D277      -1.75515   0.00002   0.00104   0.00046   0.00150  -1.75365
   D278       1.64389   0.00000   0.00066   0.00062   0.00129   1.64517
   D279      -1.72786   0.00000  -0.00042   0.00005  -0.00036  -1.72822
   D280       0.85266   0.00003   0.00226   0.00150   0.00379   0.85645
   D281      -2.51909   0.00003   0.00119   0.00093   0.00214  -2.51695
   D282       0.87379  -0.00008  -0.00139  -0.00169  -0.00309   0.87070
   D283      -2.49796  -0.00009  -0.00246  -0.00226  -0.00474  -2.50269
   D284       1.61283   0.00004   0.00097   0.00120   0.00217   1.61501
   D285      -2.60746   0.00004   0.00092   0.00091   0.00183  -2.60563
   D286       1.62909   0.00003   0.00027   0.00079   0.00106   1.63015
   D287      -2.59120   0.00002   0.00022   0.00050   0.00071  -2.59048
   D288       1.28081   0.00003   0.00033   0.00082   0.00115   1.28196
   D289      -2.93948   0.00003   0.00028   0.00053   0.00081  -2.93867
   D290       1.21164   0.00002  -0.00007   0.00041   0.00034   1.21198
   D291      -3.00865   0.00001  -0.00012   0.00011   0.00000  -3.00865
   D292       2.00907   0.00002   0.00010   0.00070   0.00080   2.00987
   D293      -2.21122   0.00002   0.00005   0.00041   0.00046  -2.21076
   D294       1.99532   0.00001  -0.00013   0.00047   0.00034   1.99566
   D295      -2.22496   0.00001  -0.00018   0.00018  -0.00001  -2.22497
   D296      -2.32250   0.00002   0.00011   0.00057   0.00067  -2.32182
   D297      -0.25960   0.00002   0.00005   0.00028   0.00033  -0.25927
   D298      -2.31892   0.00002   0.00007   0.00059   0.00067  -2.31825
   D299      -0.25602   0.00001   0.00002   0.00030   0.00032  -0.25570
   D300      -1.93968   0.00002   0.00015   0.00060   0.00075  -1.93893
   D301       0.12322   0.00002   0.00010   0.00031   0.00041   0.12363
   D302      -1.89563   0.00002   0.00004   0.00072   0.00076  -1.89487
   D303       0.16726   0.00002  -0.00001   0.00043   0.00042   0.16768
   D304      -2.67382   0.00001   0.00008   0.00059   0.00066  -2.67315
   D305      -0.61092   0.00001   0.00002   0.00030   0.00032  -0.61060
   D306      -2.81909   0.00000  -0.00012   0.00046   0.00034  -2.81875
   D307      -0.75620   0.00000  -0.00017   0.00017   0.00000  -0.75620
   D308       1.51918   0.00002  -0.00004   0.00051   0.00048   1.51966
   D309      -2.70111   0.00001  -0.00009   0.00022   0.00013  -2.70098
   D310       2.61947  -0.00001  -0.00007   0.00040   0.00033   2.61979
   D311      -1.60082  -0.00001  -0.00012   0.00011  -0.00002  -1.60084
   D312       3.00606  -0.00001   0.00003   0.00047   0.00050   3.00656
   D313      -1.21423  -0.00001  -0.00002   0.00018   0.00016  -1.21407
   D314      -0.27522  -0.00006  -0.00270  -0.00151  -0.00421  -0.27943
   D315       1.78767  -0.00006  -0.00275  -0.00181  -0.00455   1.78312
   D316      -0.20174  -0.00003  -0.00001  -0.00011  -0.00013  -0.20187
   D317       1.86116  -0.00004  -0.00006  -0.00040  -0.00047   1.86068
   D318       0.17894   0.00000   0.00058   0.00051   0.00109   0.18003
   D319       2.24184   0.00000   0.00053   0.00022   0.00074   2.24258
   D320       0.34573  -0.00001  -0.00056   0.00030  -0.00026   0.34547
   D321       2.40862  -0.00001  -0.00061   0.00001  -0.00060   2.40802
   D322      -0.53064   0.00002   0.00114   0.00147   0.00263  -0.52800
   D323       1.53226   0.00002   0.00109   0.00118   0.00229   1.53455
   D324      -0.50738  -0.00011  -0.00296  -0.00210  -0.00507  -0.51245
   D325       1.55552  -0.00011  -0.00301  -0.00239  -0.00541   1.55010
   D326      -0.13736   0.00001   0.00432   0.00382   0.00813  -0.12923
   D327       2.03200   0.00003   0.00845   0.00252   0.01096   2.04295
   D328       0.20589  -0.00001   0.00381   0.00337   0.00718   0.21308
   D329       2.37525   0.00002   0.00794   0.00207   0.01001   2.38526
   D330       0.56324  -0.00002   0.00357   0.00324   0.00681   0.57004
   D331       2.73259   0.00001   0.00770   0.00194   0.00963   2.74222
   D332       0.85012  -0.00003   0.00335   0.00309   0.00643   0.85655
   D333       3.01947   0.00000   0.00747   0.00178   0.00926   3.02873
   D334       0.22517  -0.00002   0.00365   0.00306   0.00672   0.23188
   D335       2.39452   0.00001   0.00778   0.00176   0.00954   2.40406
   D336       0.56825  -0.00001   0.00434   0.00355   0.00791   0.57616
   D337       2.73760   0.00002   0.00847   0.00225   0.01074   2.74834
   D338      -2.53164  -0.00001   0.00370   0.00378   0.00747  -2.52417
   D339      -0.36228   0.00002   0.00783   0.00248   0.01030  -0.35199
   D340      -2.11659  -0.00002   0.00334   0.00337   0.00670  -2.10988
   D341       0.05277   0.00000   0.00746   0.00207   0.00953   0.06230
   D342      -2.07509  -0.00001   0.00398   0.00358   0.00757  -2.06752
   D343       0.09426   0.00002   0.00811   0.00228   0.01040   0.10466
   D344      -1.79513   0.00000   0.00444   0.00368   0.00813  -1.78700
   D345       0.37423   0.00002   0.00857   0.00237   0.01096   0.38518
   D346      -1.70096  -0.00005   0.00244   0.00274   0.00519  -1.69577
   D347       0.46840  -0.00002   0.00657   0.00144   0.00801   0.47641
   D348      -1.38335  -0.00004   0.00259   0.00271   0.00530  -1.37805
   D349       0.78601  -0.00001   0.00672   0.00141   0.00813   0.79413
   D350       1.58552   0.00000   0.00511   0.00407   0.00920   1.59472
   D351      -2.52831   0.00003   0.00924   0.00277   0.01203  -2.51629
   D352       1.95521   0.00002   0.00584   0.00473   0.01059   1.96580
   D353      -2.15862   0.00005   0.00997   0.00343   0.01341  -2.14521
   D354       2.01853   0.00006   0.00838   0.00643   0.01483   2.03337
   D355      -2.09530   0.00009   0.01250   0.00513   0.01766  -2.07764
   D356       2.62340   0.00010   0.00944   0.00808   0.01746   2.64086
   D357      -1.49043   0.00012   0.01357   0.00678   0.02029  -1.47014
   D358       2.34329   0.00001   0.00492   0.00432   0.00924   2.35253
   D359      -1.77054   0.00004   0.00905   0.00302   0.01207  -1.75847
   D360       1.60424  -0.00008  -0.00056   0.00088   0.00032   1.60455
   D361      -2.50959  -0.00006   0.00357  -0.00042   0.00314  -2.50645
   D362       1.64611  -0.00004   0.00275   0.00231   0.00505   1.65116
   D363      -2.46772  -0.00001   0.00688   0.00101   0.00787  -2.45985
   D364       2.72235  -0.00008   0.00012  -0.00004   0.00001   2.72236
   D365      -1.39148  -0.00006   0.00425  -0.00134   0.00284  -1.38864
   D366       2.56959   0.00006   0.00566   0.00487   0.01057   2.58016
   D367      -1.54424   0.00009   0.00979   0.00357   0.01340  -1.53085
   D368       0.02241   0.00003   0.00339   0.00131   0.00471   0.02712
   D369      -2.96328   0.00003   0.00146   0.00212   0.00358  -2.95969
   D370       0.41176   0.00002   0.00284   0.00100   0.00385   0.41560
   D371      -2.57392   0.00002   0.00091   0.00181   0.00272  -2.57121
   D372       0.57378   0.00001   0.00288   0.00114   0.00402   0.57781
   D373      -2.41190   0.00001   0.00095   0.00194   0.00290  -2.40900
   D374       0.86385  -0.00001   0.00261   0.00088   0.00349   0.86733
   D375      -2.12184   0.00000   0.00068   0.00168   0.00236  -2.11948
   D376       0.70513   0.00001   0.00266   0.00083   0.00349   0.70862
   D377      -2.28056   0.00001   0.00073   0.00163   0.00237  -2.27819
   D378       1.02698   0.00001   0.00260   0.00088   0.00348   1.03046
   D379      -1.95870   0.00001   0.00067   0.00169   0.00235  -1.95635
   D380      -2.89831   0.00003   0.00320   0.00180   0.00501  -2.89329
   D381       0.39920   0.00003   0.00127   0.00261   0.00389   0.40308
   D382      -2.34296   0.00003   0.00402   0.00239   0.00642  -2.33654
   D383       0.95455   0.00003   0.00209   0.00319   0.00529   0.95984
   D384      -2.00971   0.00002   0.00354   0.00160   0.00515  -2.00456
   D385       1.28780   0.00002   0.00161   0.00241   0.00402   1.29182
   D386      -1.64798   0.00001   0.00358   0.00135   0.00493  -1.64305
   D387       1.64952   0.00001   0.00165   0.00215   0.00380   1.65332
   D388      -1.82427   0.00003   0.00633   0.00394   0.01027  -1.81400
   D389       1.47323   0.00003   0.00440   0.00475   0.00914   1.48237
   D390      -0.99690   0.00000   0.00494   0.00175   0.00667  -0.99023
   D391       2.30060   0.00001   0.00300   0.00255   0.00554   2.30614
   D392       1.76737  -0.00001   0.00314   0.00098   0.00412   1.77149
   D393      -1.21831   0.00000   0.00121   0.00179   0.00299  -1.21532
   D394       2.06553  -0.00001   0.00275   0.00081   0.00357   2.06910
   D395      -0.92015  -0.00001   0.00082   0.00162   0.00244  -0.91771
   D396       2.00308  -0.00002   0.00229   0.00057   0.00285   2.00593
   D397      -0.98261  -0.00002   0.00036   0.00138   0.00173  -0.98088
   D398       2.18678  -0.00002   0.00215   0.00063   0.00278   2.18956
   D399      -0.79890  -0.00002   0.00022   0.00143   0.00166  -0.79725
   D400       2.47263  -0.00001   0.00278   0.00091   0.00369   2.47632
   D401      -0.51306  -0.00001   0.00085   0.00172   0.00257  -0.51049
   D402      -1.35654  -0.00009  -0.00223  -0.00205  -0.00429  -1.36082
   D403       1.94097  -0.00008  -0.00416  -0.00125  -0.00541   1.93555
   D404      -2.50087   0.00001   0.00193  -0.00123   0.00066  -2.50021
   D405       0.79663   0.00001   0.00000  -0.00043  -0.00046   0.79617
   D406      -2.96073   0.00006   0.00551   0.00142   0.00698  -2.95375
   D407       0.33677   0.00006   0.00358   0.00222   0.00586   0.34263
   D408       1.85145   0.00002  -0.00029  -0.00330  -0.00356   1.84789
   D409       2.33197   0.00000  -0.00100  -0.00359  -0.00457   2.32740
   D410       2.55662   0.00000  -0.00143  -0.00426  -0.00567   2.55094
   D411       2.81398  -0.00002  -0.00188  -0.00475  -0.00662   2.80736
   D412       2.73298   0.00000  -0.00124  -0.00307  -0.00429   2.72870
   D413      -3.06814  -0.00001  -0.00197  -0.00398  -0.00594  -3.07408
   D414      -0.80313   0.00000  -0.00124  -0.00429  -0.00552  -0.80865
   D415      -0.42352   0.00001  -0.00114  -0.00431  -0.00544  -0.42896
   D416      -0.11107   0.00001  -0.00113  -0.00417  -0.00530  -0.11637
   D417       0.19837   0.00001  -0.00102  -0.00420  -0.00521   0.19316
   D418      -0.28905   0.00002  -0.00094  -0.00449  -0.00543  -0.29449
   D419       0.03434   0.00002  -0.00070  -0.00441  -0.00510   0.02924
   D420      -2.60369   0.00000  -0.00119  -0.00437  -0.00556  -2.60924
   D421      -2.22344  -0.00001  -0.00134  -0.00438  -0.00571  -2.22915
   D422      -1.99054  -0.00002  -0.00176  -0.00473  -0.00650  -1.99704
   D423      -1.67055  -0.00002  -0.00175  -0.00478  -0.00652  -1.67707
   D424      -1.99661   0.00000  -0.00090  -0.00397  -0.00485  -2.00146
   D425       1.51246  -0.00009  -0.00546  -0.00812  -0.01364   1.49882
   D426       2.62074   0.00000  -0.00237  -0.00654  -0.00893   2.61181
   D427       2.99941   0.00001  -0.00088  -0.00532  -0.00621   2.99320
   D428      -3.10045   0.00001  -0.00027  -0.00016  -0.00043  -3.10087
   D429       0.00523   0.00004   0.00284   0.00282   0.00566   0.01089
   D430       0.01959   0.00008   0.00119   0.00034   0.00152   0.02111
   D431       3.12527   0.00012   0.00430   0.00331   0.00760   3.13287
   D432       0.03015   0.00001   0.00260   0.00199   0.00459   0.03474
   D433       2.12326   0.00000   0.00244   0.00186   0.00430   2.12756
   D434      -2.07509  -0.00001   0.00247   0.00175   0.00423  -2.07087
   D435      -3.07721  -0.00003  -0.00036  -0.00084  -0.00120  -3.07841
   D436      -0.98410  -0.00003  -0.00052  -0.00097  -0.00149  -0.98558
   D437       1.10073  -0.00004  -0.00048  -0.00108  -0.00156   1.09917
   D438      -2.38752  -0.00004  -0.00271  -0.00239  -0.00510  -2.39262
   D439      -0.29632  -0.00002  -0.00257  -0.00230  -0.00488  -0.30119
   D440       1.81067  -0.00002  -0.00276  -0.00238  -0.00513   1.80554
   D441       0.71987  -0.00001   0.00026   0.00044   0.00070   0.72056
   D442       2.81107   0.00001   0.00040   0.00053   0.00092   2.81199
   D443      -1.36512   0.00001   0.00021   0.00045   0.00066  -1.36446
   D444      -0.01295   0.00000   0.00043  -0.00005   0.00037  -0.01258
   D445       3.11740   0.00000   0.00013  -0.00001   0.00011   3.11752
   D446      -3.13326   0.00000   0.00050  -0.00024   0.00026  -3.13301
   D447      -0.00291   0.00000   0.00020  -0.00020   0.00000  -0.00291
   D448       2.43291   0.00000  -0.00036  -0.00043  -0.00079   2.43212
   D449      -1.76446   0.00000  -0.00048  -0.00048  -0.00096  -1.76542
   D450       0.34251  -0.00001  -0.00074  -0.00049  -0.00123   0.34128
   D451      -0.69799   0.00000  -0.00008  -0.00047  -0.00055  -0.69854
   D452       1.38782   0.00000  -0.00020  -0.00052  -0.00071   1.38711
   D453      -2.78839  -0.00001  -0.00046  -0.00052  -0.00098  -2.78937
   D454       2.06955   0.00001   0.00022   0.00052   0.00074   2.07030
   D455      -2.12814   0.00000   0.00033   0.00049   0.00082  -2.12732
   D456      -0.03538   0.00001   0.00028   0.00058   0.00086  -0.03452
   D457      -1.08275   0.00001  -0.00006   0.00055   0.00050  -1.08225
   D458       1.00274   0.00000   0.00005   0.00053   0.00057   1.00332
   D459       3.09550   0.00001   0.00000   0.00062   0.00062   3.09612
   D460      -3.06936   0.00003   0.00056   0.00071   0.00127  -3.06809
   D461      -0.03127   0.00003   0.00012   0.00055   0.00067  -0.03060
   D462       0.08644   0.00002   0.00043   0.00073   0.00116   0.08759
   D463       3.12453   0.00002  -0.00002   0.00057   0.00056   3.12509
   D464       1.91234  -0.00001  -0.00066  -0.00048  -0.00114   1.91120
   D465      -2.28816  -0.00002  -0.00068  -0.00054  -0.00122  -2.28939
   D466      -0.19527  -0.00002  -0.00065  -0.00067  -0.00132  -0.19658
   D467      -1.12991  -0.00001  -0.00025  -0.00033  -0.00058  -1.13049
   D468       0.95278  -0.00002  -0.00027  -0.00039  -0.00067   0.95211
   D469       3.04567  -0.00001  -0.00024  -0.00052  -0.00076   3.04492
   D470      -1.63609   0.00000   0.00029  -0.00006   0.00023  -1.63586
   D471       0.46765   0.00000   0.00033   0.00021   0.00053   0.46819
   D472       2.55964   0.00000   0.00047   0.00006   0.00054   2.56017
   D473       1.40656  -0.00001  -0.00014  -0.00022  -0.00035   1.40620
   D474      -2.77289  -0.00001  -0.00010   0.00005  -0.00005  -2.77293
   D475      -0.68090  -0.00001   0.00005  -0.00009  -0.00004  -0.68094
   D476      -0.00012  -0.00024  -0.00183  -0.00290  -0.00472  -0.00483
   D477      -3.12617  -0.00029  -0.01281  -0.00647  -0.01923   3.13779
   D478       3.11376   0.00001  -0.00394  -0.00235  -0.00629   3.10747
   D479      -0.01229  -0.00004  -0.01492  -0.00593  -0.02080  -0.03309
   D480      -0.04281  -0.00011  -0.00435  -0.00289  -0.00728  -0.05009
   D481       2.05984  -0.00007  -0.00238  -0.00233  -0.00475   2.05509
   D482      -2.14782  -0.00008  -0.00731  -0.00322  -0.01057  -2.15839
   D483       3.08396  -0.00006   0.00604   0.00053   0.00656   3.09052
   D484      -1.09658  -0.00002   0.00801   0.00109   0.00909  -1.08748
   D485       0.97895  -0.00003   0.00308   0.00020   0.00327   0.98221
   D486       0.32137  -0.00035  -0.00449  -0.01256  -0.01712   0.30425
   D487       2.39626  -0.00014  -0.01112  -0.00950  -0.02076   2.37550
   D488      -1.80291  -0.00005  -0.01028  -0.00830  -0.01871  -1.82162
   D489      -2.80556  -0.00039  -0.01489  -0.01595  -0.03082  -2.83638
   D490      -0.73066  -0.00019  -0.02153  -0.01289  -0.03446  -0.76512
   D491       1.35335  -0.00009  -0.02069  -0.01169  -0.03241   1.32094
         Item               Value     Threshold  Converged?
 Maximum Force            0.000406     0.000450     YES
 RMS     Force            0.000047     0.000300     YES
 Maximum Displacement     0.062022     0.001800     NO 
 RMS     Displacement     0.005153     0.001200     NO 
 Predicted change in Energy=-5.051643D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:24:49 2016, MaxMem=  2952790016 cpu:         4.8
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.888961   -0.653826    1.713084
      2          6           0       -2.205538    0.966831   -1.423420
      3          8           0       -2.629317   -0.003538   -2.073956
      4          7           0       -0.949598    1.089199   -0.911342
      5          1           0       -2.847630    1.836983   -1.181905
      6          6           0       -0.554254    2.250660   -0.112889
      7          1           0       -1.414120    2.923264    0.008992
      8          1           0       -0.209536    1.917266    0.879281
      9          1           0        0.269620    2.791540   -0.606812
     10          6           0        0.061212    0.046813   -1.101897
     11          1           0        0.600059   -0.113315   -0.155349
     12          1           0       -0.431727   -0.885957   -1.405809
     13          1           0        0.788863    0.348058   -1.873882
     14          6           0       -1.959098   -4.082597    2.648236
     15          8           0       -2.136581   -3.933290    3.869231
     16          7           0       -2.868917   -3.797418    1.677301
     17          1           0       -1.001293   -4.454938    2.234400
     18          6           0       -4.201012   -3.280818    2.000707
     19          1           0       -4.465690   -2.497100    1.273130
     20          1           0       -4.954288   -4.084377    1.946143
     21          1           0       -4.191455   -2.856344    3.013136
     22          6           0       -2.562291   -3.977364    0.258323
     23          1           0       -3.247073   -4.716660   -0.188661
     24          1           0       -2.684768   -3.019250   -0.273545
     25          1           0       -1.525330   -4.322950    0.144368
     26          6           0        1.511194    0.355734    2.618354
     27          8           0        1.358377    1.370519    3.318953
     28          7           0        1.133351   -0.905398    2.962886
     29          1           0        1.972730    0.399520    1.612112
     30          6           0        1.436146   -2.055349    2.110421
     31          1           0        2.204481   -2.691274    2.581582
     32          1           0        0.526555   -2.659427    1.966031
     33          1           0        1.796816   -1.704284    1.133811
     34          6           0        0.520377   -1.185334    4.263500
     35          1           0        1.284699   -1.494190    4.997104
     36          1           0        0.011698   -0.282764    4.624743
     37          1           0       -0.208491   -2.000974    4.147684
     38          6           0       -4.413040    1.578147    2.761424
     39          8           0       -4.566637    2.363087    1.811605
     40          7           0       -3.367737    1.573151    3.632967
     41          1           0       -5.132614    0.759630    2.972460
     42          6           0       -2.261748    2.526945    3.540151
     43          1           0       -2.405028    3.164270    2.660216
     44          1           0       -2.226088    3.148041    4.451098
     45          1           0       -1.310180    1.977379    3.461445
     46          6           0       -3.297268    0.596170    4.723104
     47          1           0       -3.983079   -0.238165    4.516512
     48          1           0       -2.270808    0.200911    4.781557
     49          1           0       -3.550214    1.062914    5.689314
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.544631   0.000000
     3  O    3.913141   1.242740   0.000000
     4  N    3.287575   1.361831   2.316723   0.000000
     5  H    3.937529   1.108051   2.056924   2.057890   0.000000
     6  C    3.681258   2.468289   3.637731   1.463836   2.563884
     7  H    3.990611   2.550643   3.792302   2.103946   2.157127
     8  H    3.182171   3.192144   4.273925   2.107063   3.348802
     9  H    4.681019   3.181638   4.285886   2.115939   3.310463
    10  C    3.495453   2.467380   2.861185   1.464451   3.416500
    11  H    3.158864   3.262835   3.757922   2.102142   4.091948
    12  H    3.450349   2.565061   2.460587   2.100936   3.647071
    13  H    4.587029   3.090668   3.442035   2.120853   3.989964
    14  C    3.554701   6.491213   6.275907   6.359022   7.106398
    15  O    3.932577   7.213050   7.141933   7.034784   7.701663
    16  N    3.292987   5.722990   5.340680   5.853536   6.318385
    17  H    3.938042   6.650220   6.405259   6.374623   7.393806
    18  C    3.511323   5.809396   5.460189   6.176469   6.176775
    19  H    3.198555   4.937458   4.559946   5.476894   5.237327
    20  H    4.606433   6.665154   6.182227   7.139233   7.020341
    21  H    3.441322   6.184138   6.037986   6.440378   6.436734
    22  C    3.689933   5.234558   4.608179   5.444167   5.996858
    23  H    4.686973   5.908595   5.113656   6.285591   6.640506
    24  H    3.189864   4.176208   3.512701   4.505214   4.943141
    25  H    4.006940   5.558994   4.979665   5.544127   6.438342
    26  C    3.660571   5.524805   6.268228   4.364885   5.969541
    27  O    4.149939   5.945970   6.846401   4.827141   6.177848
    28  N    3.280193   5.821778   6.351441   4.829776   6.367744
    29  H    4.004046   5.195596   5.910024   3.922177   5.754016
    30  C    3.630218   5.906223   6.184410   4.971017   6.658859
    31  H    4.654219   6.990711   7.229354   6.036614   7.758400
    32  H    3.149783   5.665902   5.773627   4.950807   6.443006
    33  H    3.876077   5.449139   5.724767   4.419161   6.282833
    34  C    3.548525   6.663594   7.174996   5.840660   7.080276
    35  H    4.643610   7.711129   8.218361   6.824640   8.145735
    36  H    3.496849   6.561852   7.205935   5.783996   6.810745
    37  H    3.250549   6.620670   6.968426   5.974291   7.078099
    38  C    3.528696   4.770712   5.391131   5.071855   4.250570
    39  O    4.035024   4.241427   4.944867   4.703212   3.491829
    40  N    3.291225   5.223541   5.966589   5.170334   4.850063
    41  H    3.755685   5.285307   5.684649   5.717530   4.862159
    42  C    3.687065   5.203283   6.169007   4.858460   4.808026
    43  H    3.967523   4.641618   5.700675   4.379522   4.088946
    44  H    4.697294   6.266423   7.257505   5.884217   5.816864
    45  H    3.211697   5.068016   6.025349   4.476623   4.893277
    46  C    3.550499   6.253721   6.856080   6.123856   6.050696
    47  H    3.523821   6.316206   6.732161   6.358105   6.169882
    48  H    3.208101   6.252411   6.867925   5.911324   6.210663
    49  H    4.638681   7.239363   7.890103   7.094543   6.950284
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098462   0.000000
     8  H    1.101990   1.794563   0.000000
     9  H    1.102397   1.797650   1.789530   0.000000
    10  C    2.492766   3.418282   2.738059   2.796797   0.000000
    11  H    2.631087   3.647565   2.418504   2.958241   1.100886
    12  H    3.394853   4.180541   3.623405   3.828090   1.097912
    13  H    2.919752   3.876858   3.322516   2.801015   1.102808
    14  C    7.050358   7.506311   6.495270   7.925673   5.932721
    15  O    7.523448   7.901627   6.847065   8.429003   6.736737
    16  N    6.718757   7.075822   6.353484   7.647350   5.575635
    17  H    7.118613   7.717559   6.562637   7.886644   5.703118
    18  C    6.954379   7.086912   6.649026   7.978674   6.234247
    19  H    6.305681   6.347478   6.144639   7.343505   5.710087
    20  H    7.983270   8.086555   7.724674   9.004723   7.177222
    21  H    7.005908   7.081125   6.572394   8.056290   6.591433
    22  C    6.554258   6.999938   6.377124   7.388251   4.992691
    23  H    7.469978   7.859213   7.374015   8.301509   5.871066
    24  H    5.686551   6.083407   5.641362   6.527232   4.198489
    25  H    6.649926   7.248331   6.419634   7.375777   4.813015
    26  C    3.913631   4.685983   2.902356   4.228044   4.004766
    27  O    4.026207   4.588420   2.951150   4.314664   4.793616
    28  N    4.719015   5.465688   3.756619   5.211154   4.310296
    29  H    3.576031   4.517745   2.757332   3.680485   3.338285
    30  C    5.238943   6.109550   4.472767   5.677718   4.077808
    31  H    6.268453   7.157899   5.473933   6.631048   5.065446
    32  H    5.440497   6.225966   4.761194   6.033123   4.117336
    33  H    4.766904   5.743651   4.147994   5.057127   3.328221
    34  C    5.666892   6.222836   4.648853   6.292722   5.524174
    35  H    6.596793   7.188795   5.552228   7.127534   6.408543
    36  H    5.402194   5.797993   4.349433   6.073470   5.736330
    37  H    6.028966   6.544496   5.102457   6.767719   5.641301
    38  C    4.858413   4.287044   4.618107   5.894459   6.106486
    39  O    4.451464   3.674449   4.477981   5.424177   5.938906
    40  N    4.733512   4.332738   4.204217   5.717566   6.042048
    41  H    5.718735   5.224046   5.473410   6.791464   6.639603
    42  C    4.041852   3.653029   3.415189   4.865710   5.752896
    43  H    3.456899   2.840593   3.089811   4.238648   5.473059
    44  H    4.942701   4.521296   4.282425   5.651381   6.759076
    45  H    3.663601   3.581192   2.807598   4.439521   5.141196
    46  C    5.800715   5.584305   5.104348   6.778669   6.746245
    47  H    6.275543   6.075518   5.667006   7.315259   6.928494
    48  H    5.577063   5.560800   4.735238   6.496127   6.330648
    49  H    6.637173   6.347429   5.918316   7.564422   7.758570
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795887   0.000000
    13  H    1.789376   1.797700   0.000000
    14  C    5.492229   5.383925   6.901561   0.000000
    15  O    6.186975   6.326042   7.737668   1.242828   0.000000
    16  N    5.381916   4.891019   6.570786   1.360813   2.315023
    17  H    5.208159   5.129634   6.568973   1.107830   2.057588
    18  C    6.142633   5.616691   7.285605   2.467453   2.859891
    19  H    5.777959   5.103465   6.753439   3.269208   3.771886
    20  H    7.143975   6.474491   8.198954   3.076378   3.414758
    21  H    6.365698   6.127402   7.678196   2.572988   2.472897
    22  C    5.010236   4.106755   5.872462   2.467103   3.636183
    23  H    5.999361   4.907332   6.691795   3.179449   4.279410
    24  H    4.387314   3.302901   5.095680   3.192822   4.277683
    25  H    4.725266   3.925804   5.589914   2.552504   3.794742
    26  C    2.956959   4.637955   4.549946   5.634058   5.767727
    27  O    3.853257   5.533493   5.323092   6.418098   6.375572
    28  N    3.261164   4.640619   5.008408   4.444867   4.547752
    29  H    2.295897   4.067150   3.681893   6.051627   6.383906
    30  C    3.099073   4.149735   4.697873   3.990822   4.402777
    31  H    4.087889   5.109604   5.576080   4.390400   4.695259
    32  H    3.314867   3.928460   4.884537   2.944366   3.512434
    33  H    2.371781   3.476454   3.778134   4.696461   5.284184
    34  C    4.547725   5.756491   6.331732   4.141378   3.842673
    35  H    5.378041   6.656828   7.130931   4.768569   4.350455
    36  H    4.819146   6.076844   6.575260   4.714802   4.302585
    37  H    4.767925   5.668720   6.540025   3.105821   2.743886
    38  C    6.041504   6.268054   7.075236   6.170792   6.065100
    39  O    6.057741   6.164862   6.806213   7.003289   7.055732
    40  N    5.739244   6.329031   7.007393   5.911130   5.647341
    41  H    6.588533   6.631405   7.662918   5.798577   5.639495
    42  C    5.368206   6.281671   6.585250   6.676313   6.469821
    43  H    5.263128   6.068840   6.220130   7.260584   7.204799
    44  H    6.312124   7.334592   7.545541   7.456791   7.105760
    45  H    4.593606   5.714940   5.960401   6.148635   5.982076
    46  C    6.284253   6.926154   7.763907   5.290240   4.753135
    47  H    6.545764   6.935822   7.997013   4.729335   4.181204
    48  H    5.719586   6.545762   7.326534   4.795484   4.235796
    49  H    7.264184   7.991485   8.748745   6.185151   5.502101
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056869   0.000000
    18  C    1.464905   3.416339   0.000000
    19  H    2.098539   4.093802   1.101651   0.000000
    20  H    2.122121   3.980776   1.102773   1.791960   0.000000
    21  H    2.102185   3.652268   1.097853   1.797743   1.796790
    22  C    1.462839   2.563137   2.491283   2.616093   2.929478
    23  H    2.114195   3.314099   2.786571   2.923749   2.805665
    24  H    2.108378   3.344410   2.745840   2.415891   3.348467
    25  H    2.105063   2.158766   3.419256   3.640542   3.880859
    26  C    6.108979   5.440825   6.799654   6.758064   7.872034
    27  O    6.875508   6.378107   7.367464   7.284479   8.455190
    28  N    5.102417   4.205548   5.918095   6.061193   6.942552
    29  H    6.407814   5.726937   7.197984   7.068137   8.258358
    30  C    4.664328   3.422646   5.769867   5.977279   6.706831
    31  H    5.270734   3.675327   6.458740   6.800068   7.320690
    32  H    3.592717   2.372805   4.768356   5.042715   5.663084
    33  H    5.142534   4.075145   6.261862   6.314028   7.204313
    34  C    4.999872   4.137999   5.639397   5.960193   6.614118
    35  H    5.794694   4.650196   6.501035   6.923928   7.412314
    36  H    5.416471   4.913952   5.798347   6.015281   6.803542
    37  H    4.050663   3.211095   4.710386   5.160712   5.631158
    38  C    5.697047   6.950963   4.922721   4.338829   5.746461
    39  O    6.391566   7.705575   5.658895   4.890968   6.460508
    40  N    5.737288   6.625247   5.188414   4.831282   6.113113
    41  H    5.250566   6.693598   4.258803   3.733470   4.954748
    42  C    6.620908   7.213904   6.313536   5.936141   7.314383
    43  H    7.046021   7.759131   6.723069   6.182349   7.716962
    44  H    7.506436   8.013685   7.157860   6.854408   8.125622
    45  H    6.241884   6.555589   6.175702   5.896349   7.233294
    46  C    5.363209   6.081022   4.822782   4.778687   5.689002
    47  H    4.687297   5.646260   3.954049   3.981862   4.726879
    48  H    5.097134   5.456794   4.856053   4.940226   5.796924
    49  H    6.339026   6.991432   5.735622   5.745823   6.517466
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391144   0.000000
    23  H    3.821536   1.102397   0.000000
    24  H    3.619242   1.102664   1.790138   0.000000
    25  H    4.181983   1.098955   1.797307   1.794040   0.000000
    26  C    6.556943   6.398341   7.499975   6.112258   6.101735
    27  O    6.982874   7.303352   8.400433   6.965856   7.128068
    28  N    5.671179   5.514473   6.606518   5.433313   5.166459
    29  H    7.110604   6.446415   7.527577   6.077497   6.057426
    30  C    5.755552   4.807484   5.856696   4.857400   4.216363
    31  H    6.412603   5.456526   6.441729   5.671338   4.744878
    32  H    4.836819   3.767518   4.807824   3.931637   3.208738
    33  H    6.381104   4.993514   6.021973   4.877948   4.344314
    34  C    5.153353   5.774055   6.818041   5.849870   5.567477
    35  H    5.981627   6.589502   7.603514   6.772165   6.280700
    36  H    5.185276   6.272250   7.310806   6.225152   6.225699
    37  H    4.228813   4.957179   5.950783   5.168762   4.811671
    38  C    4.447153   6.368241   7.048907   5.773563   7.071831
    39  O    5.369068   6.828719   7.474298   6.071148   7.532085
    40  N    4.547871   6.545624   7.360783   6.067738   7.094279
    41  H    3.736670   6.034253   6.598311   5.550535   6.844210
    42  C    5.742935   7.291554   8.206382   6.744146   7.680801
    43  H    6.289965   7.536362   8.422244   6.849900   7.947440
    44  H    6.479432   8.274285   9.188215   7.782552   8.651860
    45  H    5.645140   6.876536   7.866701   6.387953   7.123443
    46  C    3.955175   6.433636   7.235614   6.197816   6.949988
    47  H    3.026288   5.842296   6.537375   5.688998   6.468511
    48  H    4.020324   6.164624   7.059650   6.007900   6.521087
    49  H    4.788915   7.475029   8.248998   7.277964   7.990877
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242570   0.000000
    28  N    1.360853   2.314567   0.000000
    29  H    1.107906   2.057566   2.057172   0.000000
    30  C    2.465148   3.633617   1.463137   2.561760   0.000000
    31  H    3.125102   4.213997   2.117089   3.247551   1.103056
    32  H    3.238246   4.331604   2.106784   3.402033   1.101414
    33  H    2.555215   3.797564   2.103312   2.164649   1.098680
    34  C    2.462339   2.850754   1.464820   3.413348   2.496258
    35  H    3.021915   3.320869   2.123117   3.939250   2.944618
    36  H    2.584911   2.500395   2.099416   3.658839   3.390122
    37  H    3.293971   3.809047   2.098708   4.116943   2.618822
    38  C    6.050728   5.802000   6.080381   6.594553   6.916580
    39  O    6.451383   6.193794   6.670705   6.830718   7.459576
    40  N    5.129864   4.740867   5.181892   5.829395   6.209787
    41  H    6.665486   6.528875   6.483420   7.243351   7.198321
    42  C    4.449602   3.806778   4.862192   5.116060   6.059370
    43  H    4.819379   4.220746   5.401290   5.282720   6.503946
    44  H    5.012305   4.158092   5.470921   5.765785   6.779823
    45  H    3.361649   2.740398   3.811799   4.084993   5.062655
    46  C    5.254435   4.924053   4.998346   6.122893   6.021783
    47  H    5.843180   5.705538   5.388581   6.656864   6.201566
    48  H    4.359697   4.083893   4.014945   5.300230   5.095801
    49  H    5.962277   5.459625   5.765713   6.896853   6.884463
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787555   0.000000
    33  H    1.798994   1.794004   0.000000
    34  C    2.816542   2.729716   3.419584   0.000000
    35  H    2.848466   3.334661   3.902747   1.103519   0.000000
    36  H    3.844961   3.603104   4.170608   1.097217   1.796312
    37  H    2.958315   2.394466   3.632178   1.099969   1.791078
    38  C    7.877302   6.556621   7.210117   5.850783   6.848485
    39  O    8.484543   7.154725   7.582641   6.669393   7.698320
    40  N    7.095093   5.988230   6.607569   4.808767   5.737125
    41  H    8.117542   6.687977   7.580798   6.116043   7.096534
    42  C    6.935118   6.095157   6.337642   4.695154   5.556035
    43  H    7.452593   6.556791   6.609706   5.481566   6.385638
    44  H    7.564564   6.890521   7.122725   5.133849   5.845858
    45  H    5.909596   5.206710   5.350322   3.741255   4.598199
    46  C    6.757414   5.729048   6.642651   4.237854   5.043719
    47  H    6.931637   5.718764   6.855607   4.608932   5.436731
    48  H    5.764793   4.892235   5.786310   3.159236   3.944801
    49  H    7.541117   6.658732   7.549882   4.863875   5.513105
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796751   0.000000
    38  C    5.149103   5.692983   0.000000
    39  O    5.989610   6.595130   1.241724   0.000000
    40  N    3.981033   4.797931   1.360982   2.319207   0.000000
    41  H    5.502779   5.766201   1.110087   2.058881   2.052530
    42  C    3.773508   5.008693   2.476830   2.885695   1.463403
    43  H    4.645640   5.806641   2.560886   2.456540   2.098740
    44  H    4.099788   5.538512   3.178415   3.614035   2.110207
    45  H    2.865113   4.184727   3.205800   3.670866   2.103892
    46  C    3.425122   4.076372   2.461182   3.634573   1.465557
    47  H    3.996492   4.182229   2.562068   3.797839   2.107170
    48  H    2.338454   3.082733   3.250673   4.332027   2.098942
    49  H    3.953654   4.788648   3.095556   4.214284   2.126546
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418705   0.000000
    43  H    3.649591   1.095900   0.000000
    44  H    4.042124   1.103112   1.799872   0.000000
    45  H    4.041413   1.101680   1.802601   1.785707   0.000000
    46  C    2.541647   2.489894   3.412732   2.780910   2.729110
    47  H    2.168207   3.400308   4.184811   3.815454   3.628524
    48  H    3.431462   2.636590   3.646862   2.965937   2.412746
    49  H    3.158681   2.902142   3.860386   2.763013   3.288981
                   46         47         48         49
    46  C    0.000000
    47  H    1.099605   0.000000
    48  H    1.101484   1.787430   0.000000
    49  H    1.102449   1.804340   1.789959   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2168009      0.1875317      0.1834674
 Leave Link  202 at Mon Nov 14 00:24:49 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1846.1125515464 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1836834996 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1845.9288680468 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4053
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.12D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     235
 GePol: Fraction of low-weight points (<1% of avg)   =       5.80%
 GePol: Cavity surface area                          =    468.036 Ang**2
 GePol: Cavity volume                                =    458.821 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039966689 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1845.9248713779 Hartrees.
 Leave Link  301 at Mon Nov 14 00:24:50 2016, MaxMem=  2952790016 cpu:         1.9
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37518.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:24:51 2016, MaxMem=  2952790016 cpu:        14.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:24:51 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000030    0.001431    0.000711
         Rot=    1.000000   -0.000177    0.000079   -0.000208 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50857724241    
 Leave Link  401 at Mon Nov 14 00:24:58 2016, MaxMem=  2952790016 cpu:        79.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49280427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   3842.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.52D-15 for   2167    769.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.21D-15 for   2584.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.66D-09 for   2579   2568.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.10D-15 for   2051.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.30D-14 for   1806   1003.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   1918.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.36D-16 for   1874    939.
 E= -1013.45003335090    
 DIIS: error= 4.04D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45003335090     IErMin= 1 ErrMin= 4.04D-04
 ErrMax= 4.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-04 BMatP= 2.21D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.04D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=8.23D-05 MaxDP=3.30D-03              OVMax= 4.25D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.23D-05    CP:  1.00D+00
 E= -1013.45041899964     Delta-E=       -0.000385648743 Rises=F Damp=F
 DIIS: error= 6.40D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45041899964     IErMin= 2 ErrMin= 6.40D-05
 ErrMax= 6.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-06 BMatP= 2.21D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.203D-01 0.980D+00
 Coeff:      0.203D-01 0.980D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.77D-05 MaxDP=1.03D-03 DE=-3.86D-04 OVMax= 1.64D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.72D-05    CP:  1.00D+00  9.55D-01
 E= -1013.45040305716     Delta-E=        0.000015942477 Rises=F Damp=F
 DIIS: error= 1.80D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45041899964     IErMin= 2 ErrMin= 6.40D-05
 ErrMax= 1.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-05 BMatP= 3.77D-06
 IDIUse=3 WtCom= 4.27D-01 WtEn= 5.73D-01
 Coeff-Com:  0.188D-02 0.722D+00 0.276D+00
 Coeff-En:   0.000D+00 0.801D+00 0.199D+00
 Coeff:      0.802D-03 0.767D+00 0.232D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=7.05D-04 DE= 1.59D-05 OVMax= 1.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.08D-06    CP:  1.00D+00  9.74D-01  4.42D-01
 E= -1013.45042218065     Delta-E=       -0.000019123493 Rises=F Damp=F
 DIIS: error= 1.42D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45042218065     IErMin= 4 ErrMin= 1.42D-05
 ErrMax= 1.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-07 BMatP= 3.77D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.189D-04 0.246D+00 0.285D-01 0.726D+00
 Coeff:      0.189D-04 0.246D+00 0.285D-01 0.726D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.16D-06 MaxDP=1.07D-04 DE=-1.91D-05 OVMax= 1.01D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.05D-06    CP:  1.00D+00  9.80D-01  3.53D-01  7.76D-01
 E= -1013.45042239729     Delta-E=       -0.000000216635 Rises=F Damp=F
 DIIS: error= 7.24D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45042239729     IErMin= 5 ErrMin= 7.24D-06
 ErrMax= 7.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-08 BMatP= 2.65D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.884D-07 0.132D+00 0.992D-02 0.451D+00 0.407D+00
 Coeff:      0.884D-07 0.132D+00 0.992D-02 0.451D+00 0.407D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.58D-07 MaxDP=3.11D-05 DE=-2.17D-07 OVMax= 4.23D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.61D-07    CP:  1.00D+00  9.80D-01  3.48D-01  7.89D-01  7.49D-01
 E= -1013.45042242536     Delta-E=       -0.000000028067 Rises=F Damp=F
 DIIS: error= 1.54D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45042242536     IErMin= 6 ErrMin= 1.54D-06
 ErrMax= 1.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-09 BMatP= 3.16D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.227D-04 0.390D-01 0.195D-02 0.145D+00 0.197D+00 0.618D+00
 Coeff:     -0.227D-04 0.390D-01 0.195D-02 0.145D+00 0.197D+00 0.618D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.21D-07 MaxDP=7.05D-06 DE=-2.81D-08 OVMax= 6.06D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.10D-07    CP:  1.00D+00  9.80D-01  3.49D-01  7.94D-01  7.48D-01
                    CP:  8.81D-01
 E= -1013.45042242616     Delta-E=       -0.000000000806 Rises=F Damp=F
 DIIS: error= 4.70D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45042242616     IErMin= 7 ErrMin= 4.70D-07
 ErrMax= 4.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-10 BMatP= 1.05D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-04 0.884D-02 0.202D-03 0.370D-01 0.716D-01 0.356D+00
 Coeff-Com:  0.526D+00
 Coeff:     -0.170D-04 0.884D-02 0.202D-03 0.370D-01 0.716D-01 0.356D+00
 Coeff:      0.526D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.98D-08 MaxDP=2.38D-06 DE=-8.06D-10 OVMax= 2.52D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.86D-08    CP:  1.00D+00  9.80D-01  3.49D-01  7.94D-01  7.52D-01
                    CP:  8.69D-01  6.39D-01
 E= -1013.45042242632     Delta-E=       -0.000000000160 Rises=F Damp=F
 DIIS: error= 7.79D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45042242632     IErMin= 8 ErrMin= 7.79D-08
 ErrMax= 7.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.21D-12 BMatP= 1.84D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.696D-05 0.218D-02 0.523D-04 0.991D-02 0.235D-01 0.137D+00
 Coeff-Com:  0.252D+00 0.576D+00
 Coeff:     -0.696D-05 0.218D-02 0.523D-04 0.991D-02 0.235D-01 0.137D+00
 Coeff:      0.252D+00 0.576D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.15D-08 MaxDP=5.89D-07 DE=-1.60D-10 OVMax= 9.63D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.01D-08    CP:  1.00D+00  9.80D-01  3.49D-01  7.94D-01  7.54D-01
                    CP:  8.73D-01  6.52D-01  8.33D-01
 E= -1013.45042242633     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 9.73D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45042242633     IErMin= 8 ErrMin= 7.79D-08
 ErrMax= 9.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.95D-12 BMatP= 7.21D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.311D-05 0.532D-03 0.254D-04 0.284D-02 0.901D-02 0.601D-01
 Coeff-Com:  0.129D+00 0.460D+00 0.339D+00
 Coeff:     -0.311D-05 0.532D-03 0.254D-04 0.284D-02 0.901D-02 0.601D-01
 Coeff:      0.129D+00 0.460D+00 0.339D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.76D-09 MaxDP=4.23D-07 DE=-1.27D-11 OVMax= 6.14D-07

 Error on total polarization charges =  0.04255
 SCF Done:  E(RB97D) =  -1013.45042243     A.U. after    9 cycles
            NFock=  9  Conv=0.68D-08     -V/T= 2.0213
 KE= 9.923568278781D+02 PE=-6.023153357966D+03 EE= 2.171421236284D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:26:50 2016, MaxMem=  2952790016 cpu:      1281.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37518.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 00:26:58 2016, MaxMem=  2952790016 cpu:        97.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:26:58 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:27:35 2016, MaxMem=  2952790016 cpu:       439.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.61200439D+00-3.05283910D+00 3.48587603D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000776087    0.001145972   -0.000090548
      2        6           0.000224265   -0.000178421   -0.000072965
      3        8           0.000022517    0.000088194    0.000074091
      4        7          -0.000000699   -0.000069660    0.000021691
      5        1          -0.000038570    0.000118641   -0.000006801
      6        6          -0.000016037   -0.000075266   -0.000067492
      7        1           0.000040533    0.000032165   -0.000019008
      8        1           0.000018941    0.000019829   -0.000031353
      9        1           0.000070941   -0.000022163    0.000052454
     10        6           0.000104163   -0.000088192   -0.000010987
     11        1           0.000036705   -0.000044848    0.000041523
     12        1           0.000025197    0.000004710    0.000041150
     13        1           0.000029735    0.000013108    0.000027433
     14        6          -0.000114453    0.000013571   -0.000027078
     15        8          -0.000021098   -0.000001664   -0.000020999
     16        7          -0.000054057    0.000006059    0.000025579
     17        1          -0.000013164   -0.000015683   -0.000012483
     18        6          -0.000072211    0.000059550   -0.000007411
     19        1          -0.000058928    0.000045348    0.000060225
     20        1          -0.000003936    0.000004624   -0.000059663
     21        1          -0.000046148    0.000009174   -0.000044209
     22        6          -0.000026747    0.000018310   -0.000009151
     23        1          -0.000014878    0.000033292   -0.000043018
     24        1          -0.000021519    0.000023902   -0.000020963
     25        1          -0.000010310   -0.000016692   -0.000014518
     26        6           0.000000549   -0.000074148   -0.000001408
     27        8          -0.000005308    0.000016074    0.000041606
     28        7           0.000003316   -0.000046012   -0.000030877
     29        1          -0.000006960   -0.000015189    0.000027385
     30        6          -0.000027110   -0.000055458   -0.000030876
     31        1          -0.000007232   -0.000009698    0.000025595
     32        1          -0.000014893   -0.000036549   -0.000015234
     33        1          -0.000006080   -0.000017811    0.000031087
     34        6          -0.000013389   -0.000048995    0.000014545
     35        1          -0.000041116   -0.000019481    0.000026685
     36        1          -0.000059809   -0.000023130    0.000011372
     37        1          -0.000028413   -0.000010354    0.000014811
     38        6           0.000103021   -0.000577394   -0.000218751
     39        8          -0.000138785    0.000193164   -0.000302586
     40        7          -0.000455690   -0.000491304    0.001054460
     41        1          -0.000283804    0.000377755   -0.000262011
     42        6          -0.000509465   -0.000515476    0.000764876
     43        1           0.000240598    0.000052057   -0.000280886
     44        1          -0.000065638    0.000281796   -0.000276222
     45        1           0.000022593    0.000204049   -0.000322167
     46        6           0.001191196   -0.000862333   -0.000913573
     47        1          -0.000554182    0.000583479    0.000559849
     48        1          -0.000060829   -0.000103851    0.000277128
     49        1          -0.000118900    0.000074950    0.000019694
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001191196 RMS     0.000263390
 Leave Link  716 at Mon Nov 14 00:27:35 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000493547 RMS     0.000058126
 Search for a local minimum.
 Step number   4 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .58126D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    1    2    3    4
 DE= -6.82D-05 DEPred=-5.05D-05 R= 1.35D+00
 TightC=F SS=  1.41D+00  RLast= 1.26D-01 DXNew= 6.7748D-01 3.7827D-01
 Trust test= 1.35D+00 RLast= 1.26D-01 DXMaxT set to 4.03D-01
 ITU=  1  1  1  0
     Eigenvalues ---    0.00294   0.00344   0.00374   0.00376   0.00385
     Eigenvalues ---    0.00536   0.00685   0.00759   0.00772   0.00861
     Eigenvalues ---    0.00885   0.00907   0.00977   0.01022   0.01030
     Eigenvalues ---    0.01056   0.01189   0.01227   0.01353   0.01383
     Eigenvalues ---    0.01394   0.01434   0.01509   0.01533   0.01534
     Eigenvalues ---    0.01605   0.01776   0.01778   0.01858   0.01888
     Eigenvalues ---    0.01941   0.01977   0.02051   0.02083   0.02113
     Eigenvalues ---    0.02143   0.02267   0.02418   0.02832   0.02908
     Eigenvalues ---    0.03268   0.03624   0.03937   0.04181   0.04267
     Eigenvalues ---    0.04651   0.05040   0.05273   0.05678   0.05755
     Eigenvalues ---    0.06069   0.06095   0.06242   0.06570   0.07220
     Eigenvalues ---    0.07659   0.07760   0.07817   0.07943   0.08012
     Eigenvalues ---    0.08016   0.08182   0.08450   0.08527   0.08621
     Eigenvalues ---    0.08639   0.08714   0.08784   0.09055   0.09157
     Eigenvalues ---    0.09507   0.09760   0.09823   0.09951   0.09980
     Eigenvalues ---    0.10044   0.10096   0.10343   0.10527   0.10534
     Eigenvalues ---    0.10607   0.10731   0.11007   0.11290   0.11338
     Eigenvalues ---    0.11583   0.11750   0.11875   0.13236   0.13435
     Eigenvalues ---    0.14056   0.14541   0.14714   0.15320   0.15682
     Eigenvalues ---    0.16267   0.17151   0.22151   0.23212   0.23715
     Eigenvalues ---    0.24027   0.24681   0.25066   0.25647   0.26512
     Eigenvalues ---    0.26869   0.27509   0.28017   0.29251   0.29798
     Eigenvalues ---    0.29962   0.30323   0.32720   0.32813   0.32826
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33391   0.33416   0.33425   0.33434   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33831   0.33902   0.33915
     Eigenvalues ---    0.33942   0.33999   0.34496   0.37076   0.39540
     Eigenvalues ---    0.40761   0.42386   0.85942   0.85987   0.86097
     Eigenvalues ---    0.87176
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     4    3    2    1
 RFO step:  Lambda=-9.13504485D-06.
 NNeg= 0 NP= 4 Switch=  2.50D-03 Rises=F DC=  2.21D-04 SmlDif=  1.00D-05
 RMS Error=  0.2532790149D-03 NUsed= 4 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.93937   -1.52802    0.55813    0.03052
 Iteration  1 RMS(Cart)=  0.00522968 RMS(Int)=  0.00006327
 Iteration  2 RMS(Cart)=  0.00006360 RMS(Int)=  0.00002345
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00002345
 ITry= 1 IFail=0 DXMaxC= 7.10D-02 DCOld= 1.00D+10 DXMaxT= 4.03D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.69838  -0.00002   0.00881   0.00163   0.01043   6.70882
    R2        6.21262  -0.00001   0.00138  -0.00002   0.00136   6.21398
    R3        6.95657   0.00001   0.00419   0.00218   0.00637   6.96294
    R4        6.01343   0.00003   0.00299   0.00224   0.00524   6.01867
    R5        6.60545  -0.00003  -0.00131  -0.00105  -0.00236   6.60309
    R6        5.96939  -0.00002  -0.00170  -0.00079  -0.00249   5.96689
    R7        6.71741   0.00001  -0.00022   0.00039   0.00017   6.71758
    R8        6.22284   0.00000  -0.00009   0.00028   0.00018   6.22303
    R9        6.63544   0.00001  -0.00048   0.00076   0.00028   6.63572
   R10        6.04439   0.00001  -0.00124   0.00030  -0.00094   6.04346
   R11        6.97296  -0.00001   0.00036   0.00022   0.00057   6.97353
   R12        6.02797   0.00000   0.00005  -0.00019  -0.00014   6.02783
   R13        6.91748  -0.00003   0.00039  -0.00064  -0.00025   6.91722
   R14        6.19867  -0.00002  -0.00086  -0.00025  -0.00111   6.19755
   R15        6.86012   0.00001  -0.00115  -0.00040  -0.00156   6.85856
   R16        5.95223   0.00001  -0.00103   0.00010  -0.00093   5.95129
   R17        6.70574  -0.00001  -0.00109  -0.00008  -0.00117   6.70457
   R18        6.66827   0.00010  -0.00141  -0.00241  -0.00374   6.66453
   R19        6.21951  -0.00005  -0.00208  -0.00022  -0.00234   6.21717
   R20        6.96754  -0.00025  -0.00364  -0.00378  -0.00745   6.96009
   R21        6.06923   0.00000  -0.00020  -0.00175  -0.00195   6.06728
   R22        6.70947   0.00007   0.01677   0.00725   0.02371   6.73318
   R23        6.06243   0.00019  -0.00210  -0.00687  -0.00876   6.05367
   R24        2.34844  -0.00009   0.00005  -0.00004   0.00001   2.34845
   R25        2.57349  -0.00005  -0.00018  -0.00008  -0.00026   2.57323
   R26        2.09391   0.00012   0.00024   0.00006   0.00030   2.09421
   R27        2.76625  -0.00003  -0.00018  -0.00001  -0.00019   2.76606
   R28        2.76741   0.00001  -0.00017   0.00002  -0.00014   2.76727
   R29        2.07579   0.00001   0.00008  -0.00006   0.00002   2.07581
   R30        2.08246   0.00000  -0.00012   0.00004  -0.00008   2.08238
   R31        2.08323   0.00000   0.00002   0.00003   0.00005   2.08328
   R32        2.08037   0.00000  -0.00023  -0.00004  -0.00027   2.08010
   R33        2.07475  -0.00001  -0.00004   0.00000  -0.00004   2.07471
   R34        2.08400  -0.00001   0.00006   0.00000   0.00006   2.08406
   R35        2.34860   0.00000  -0.00001   0.00000  -0.00001   2.34860
   R36        2.57156   0.00000   0.00005  -0.00002   0.00003   2.57160
   R37        2.09350   0.00001  -0.00001   0.00002   0.00001   2.09351
   R38        2.76827   0.00002   0.00016   0.00001   0.00017   2.76844
   R39        2.76437   0.00002   0.00008   0.00005   0.00013   2.76450
   R40        2.08182  -0.00002   0.00006  -0.00002   0.00004   2.08186
   R41        2.08394   0.00000   0.00002  -0.00002   0.00000   2.08394
   R42        2.07464  -0.00001  -0.00002   0.00006   0.00004   2.07468
   R43        2.08323   0.00000  -0.00001   0.00000  -0.00001   2.08321
   R44        2.08373   0.00002   0.00000  -0.00002  -0.00002   2.08371
   R45        2.07672   0.00000   0.00001  -0.00002  -0.00001   2.07671
   R46        2.34812   0.00003  -0.00007   0.00002  -0.00005   2.34806
   R47        2.57164   0.00000  -0.00005   0.00006   0.00002   2.57166
   R48        2.09364   0.00000   0.00002   0.00001   0.00003   2.09367
   R49        2.76493   0.00000  -0.00008   0.00004  -0.00003   2.76490
   R50        2.76811   0.00004  -0.00001   0.00005   0.00004   2.76815
   R51        2.08447   0.00000   0.00002  -0.00001   0.00001   2.08449
   R52        2.08137  -0.00003  -0.00001   0.00001   0.00002   2.08139
   R53        2.07620  -0.00001  -0.00002  -0.00003  -0.00004   2.07616
   R54        2.08535   0.00000   0.00002  -0.00002   0.00000   2.08535
   R55        2.07344   0.00001   0.00015  -0.00006   0.00009   2.07353
   R56        2.07864   0.00000  -0.00001   0.00000  -0.00001   2.07863
   R57        2.34652   0.00035  -0.00025  -0.00006  -0.00032   2.34620
   R58        2.57188   0.00041   0.00006   0.00016   0.00024   2.57212
   R59        2.09776  -0.00013   0.00040  -0.00021   0.00018   2.09794
   R60        2.76543   0.00011   0.00044  -0.00039   0.00008   2.76551
   R61        2.76950  -0.00025  -0.00154   0.00016  -0.00134   2.76817
   R62        2.07095   0.00023   0.00026  -0.00007   0.00018   2.07114
   R63        2.08458  -0.00007   0.00006   0.00005   0.00011   2.08469
   R64        2.08187  -0.00001   0.00006   0.00003   0.00009   2.08197
   R65        2.07795  -0.00022  -0.00082   0.00045  -0.00037   2.07758
   R66        2.08150  -0.00007   0.00026  -0.00021   0.00028   2.08179
   R67        2.08333   0.00008  -0.00036   0.00042   0.00006   2.08339
    A1        0.69623  -0.00001  -0.00068  -0.00022  -0.00089   0.69534
    A2        0.98347  -0.00001  -0.00093  -0.00028  -0.00121   0.98226
    A3        0.71603   0.00000  -0.00054  -0.00005  -0.00060   0.71543
    A4        1.01073   0.00000  -0.00059  -0.00004  -0.00064   1.01009
    A5        2.30776   0.00000  -0.00035  -0.00028  -0.00063   2.30712
    A6        1.98262   0.00000  -0.00014  -0.00018  -0.00032   1.98229
    A7        1.93450   0.00000   0.00023  -0.00002   0.00022   1.93472
    A8        1.64068   0.00001   0.00033   0.00012   0.00045   1.64113
    A9        1.61747  -0.00001  -0.00027  -0.00023  -0.00050   1.61697
   A10        1.33427  -0.00001  -0.00024  -0.00020  -0.00044   1.33383
   A11        1.74740  -0.00001  -0.00061  -0.00019  -0.00080   1.74661
   A12        2.04261  -0.00001  -0.00081  -0.00024  -0.00106   2.04155
   A13        1.93390  -0.00002  -0.00104  -0.00039  -0.00143   1.93246
   A14        2.01604  -0.00003  -0.00095  -0.00041  -0.00136   2.01468
   A15        2.44198  -0.00001  -0.00060  -0.00015  -0.00076   2.44123
   A16        1.48047  -0.00001   0.00295   0.00112   0.00409   1.48456
   A17        1.73825   0.00008   0.00113   0.00088   0.00201   1.74026
   A18        1.60582   0.00002  -0.00074  -0.00033  -0.00107   1.60475
   A19        1.69432  -0.00004   0.00009  -0.00031  -0.00023   1.69409
   A20        2.15768   0.00005   0.00022   0.00069   0.00091   2.15859
   A21        2.36585   0.00006   0.00273   0.00148   0.00419   2.37004
   A22        0.66269   0.00000  -0.00039  -0.00011  -0.00050   0.66219
   A23        0.66318   0.00000  -0.00004   0.00005   0.00001   0.66318
   A24        2.38481  -0.00001  -0.00026  -0.00020  -0.00045   2.38436
   A25        2.19258   0.00000  -0.00021  -0.00016  -0.00037   2.19222
   A26        2.27863   0.00000  -0.00012  -0.00008  -0.00020   2.27843
   A27        2.01077   0.00000  -0.00007   0.00007  -0.00001   2.01076
   A28        1.78744  -0.00001  -0.00020  -0.00015  -0.00036   1.78709
   A29        1.53806  -0.00001  -0.00026  -0.00017  -0.00043   1.53763
   A30        1.35492  -0.00001  -0.00008  -0.00008  -0.00017   1.35475
   A31        1.65244  -0.00001  -0.00020  -0.00011  -0.00031   1.65213
   A32        1.60115  -0.00002  -0.00037  -0.00023  -0.00060   1.60055
   A33        1.75440  -0.00002  -0.00031  -0.00023  -0.00054   1.75386
   A34        2.04784   0.00000  -0.00006  -0.00005  -0.00010   2.04774
   A35        1.67719   0.00001   0.00297   0.00129   0.00427   1.68146
   A36        1.80833   0.00010   0.00085   0.00095   0.00180   1.81012
   A37        1.53788   0.00004  -0.00060  -0.00006  -0.00067   1.53721
   A38        1.51949  -0.00003   0.00029  -0.00013   0.00015   1.51964
   A39        2.21861   0.00004  -0.00081   0.00019  -0.00063   2.21798
   A40        2.28669   0.00006   0.00333   0.00163   0.00497   2.29166
   A41        0.70766   0.00000  -0.00022  -0.00009  -0.00031   0.70735
   A42        0.77549   0.00000  -0.00023  -0.00010  -0.00033   0.77515
   A43        2.68756  -0.00001  -0.00022  -0.00015  -0.00037   2.68719
   A44        2.59771  -0.00001  -0.00049  -0.00030  -0.00080   2.59691
   A45        2.62529  -0.00001  -0.00049  -0.00023  -0.00072   2.62457
   A46        2.31657   0.00000  -0.00047  -0.00013  -0.00060   2.31597
   A47        2.19106  -0.00001  -0.00048  -0.00029  -0.00077   2.19029
   A48        1.94616  -0.00002  -0.00058  -0.00033  -0.00092   1.94524
   A49        1.12441   0.00000   0.00026   0.00005   0.00030   1.12471
   A50        1.48613   0.00000   0.00015   0.00006   0.00020   1.48633
   A51        1.59760  -0.00001  -0.00010  -0.00010  -0.00019   1.59741
   A52        1.83814  -0.00002  -0.00009  -0.00011  -0.00020   1.83794
   A53        1.80134   0.00001   0.00038   0.00018   0.00056   1.80190
   A54        1.47832   0.00003   0.00320   0.00147   0.00468   1.48299
   A55        1.48909   0.00011   0.00101   0.00109   0.00210   1.49119
   A56        1.16124   0.00005  -0.00020   0.00021   0.00001   1.16125
   A57        1.11330  -0.00002   0.00062   0.00005   0.00066   1.11395
   A58        1.86142   0.00004  -0.00080   0.00011  -0.00070   1.86072
   A59        1.88323   0.00006   0.00368   0.00178   0.00547   1.88870
   A60        0.84007   0.00000  -0.00004   0.00011   0.00008   0.84014
   A61        0.78260   0.00000   0.00009   0.00014   0.00023   0.78283
   A62        2.60350   0.00001   0.00074   0.00045   0.00119   2.60469
   A63        2.75320   0.00000   0.00019   0.00018   0.00036   2.75357
   A64        2.59584  -0.00001  -0.00091  -0.00034  -0.00124   2.59460
   A65        2.37567   0.00000  -0.00005   0.00005  -0.00001   2.37566
   A66        2.17441  -0.00001  -0.00040  -0.00013  -0.00053   2.17388
   A67        0.86551   0.00001   0.00077   0.00031   0.00107   0.86658
   A68        1.24035   0.00001   0.00071   0.00036   0.00106   1.24141
   A69        1.42752   0.00000   0.00060   0.00032   0.00092   1.42843
   A70        1.70195   0.00000   0.00064   0.00035   0.00099   1.70294
   A71        1.52179   0.00001   0.00081   0.00037   0.00118   1.52296
   A72        1.51506   0.00003   0.00248   0.00107   0.00355   1.51861
   A73        1.41342   0.00009   0.00048   0.00070   0.00118   1.41460
   A74        1.03117   0.00004  -0.00031   0.00012  -0.00019   1.03098
   A75        0.90917  -0.00003   0.00049  -0.00004   0.00044   0.90960
   A76        1.71835   0.00001  -0.00130  -0.00039  -0.00171   1.71664
   A77        1.66912   0.00004   0.00358   0.00155   0.00515   1.67427
   A78        2.00007  -0.00001  -0.00019  -0.00019  -0.00038   1.99969
   A79        1.92690   0.00000  -0.00007  -0.00010  -0.00017   1.92673
   A80        2.19357   0.00000   0.00006  -0.00003   0.00003   2.19360
   A81        2.04226   0.00001   0.00017   0.00019   0.00036   2.04262
   A82        1.53564   0.00000  -0.00003  -0.00007  -0.00010   1.53553
   A83        1.35541  -0.00001  -0.00012  -0.00010  -0.00022   1.35519
   A84        1.18710  -0.00001  -0.00025  -0.00016  -0.00041   1.18669
   A85        1.37776  -0.00002  -0.00037  -0.00024  -0.00061   1.37715
   A86        1.21803  -0.00002  -0.00049  -0.00034  -0.00083   1.21720
   A87        1.33301  -0.00003  -0.00039  -0.00032  -0.00071   1.33230
   A88        1.80290  -0.00001  -0.00029  -0.00022  -0.00052   1.80238
   A89        2.10778   0.00001   0.00302   0.00136   0.00438   2.11217
   A90        2.19546   0.00011   0.00082   0.00101   0.00183   2.19729
   A91        1.85726   0.00004  -0.00035   0.00020  -0.00016   1.85710
   A92        1.74532  -0.00002   0.00039   0.00007   0.00046   1.74578
   A93        2.55614   0.00002  -0.00123  -0.00018  -0.00143   2.55471
   A94        2.47072   0.00003   0.00314   0.00132   0.00449   2.47520
   A95        1.91368   0.00000   0.00008  -0.00001   0.00007   1.91375
   A96        1.97295   0.00000   0.00022   0.00010   0.00032   1.97327
   A97        2.33963   0.00001   0.00032   0.00012   0.00045   2.34007
   A98        2.28103   0.00002   0.00040   0.00034   0.00074   2.28178
   A99        1.63555   0.00001   0.00028   0.00015   0.00043   1.63598
   A100       1.52587   0.00000   0.00013   0.00010   0.00023   1.52610
   A101       0.88562  -0.00002  -0.00035  -0.00026  -0.00061   0.88502
   A102       1.06156  -0.00002  -0.00037  -0.00028  -0.00065   1.06091
   A103       0.93859  -0.00002  -0.00035  -0.00029  -0.00064   0.93796
   A104       1.10648  -0.00002  -0.00016  -0.00020  -0.00036   1.10612
   A105       1.48645  -0.00001  -0.00030  -0.00026  -0.00056   1.48589
   A106       2.25379   0.00003   0.00296   0.00137   0.00433   2.25812
   A107       2.19357   0.00009   0.00048   0.00080   0.00127   2.19484
   A108       1.79790   0.00004  -0.00022   0.00030   0.00008   1.79798
   A109       1.61062  -0.00002   0.00028   0.00009   0.00036   1.61098
   A110       2.42454  -0.00001  -0.00165  -0.00075  -0.00242   2.42212
   A111       2.23184   0.00000   0.00251   0.00087   0.00341   2.23526
   A112       0.71333   0.00000   0.00008  -0.00006   0.00002   0.71335
   A113       1.00560   0.00000   0.00011  -0.00007   0.00004   1.00565
   A114       0.69402   0.00000  -0.00001  -0.00003  -0.00004   0.69398
   A115       0.98080   0.00001  -0.00003  -0.00006  -0.00009   0.98071
   A116       1.79188   0.00000   0.00009   0.00019   0.00028   1.79216
   A117       1.41412   0.00000   0.00014   0.00013   0.00027   1.41439
   A118       1.17763   0.00001   0.00017   0.00014   0.00031   1.17794
   A119       0.90182   0.00001   0.00009   0.00009   0.00018   0.90200
   A120       1.24490   0.00000   0.00001   0.00007   0.00008   1.24498
   A121       2.11512  -0.00003  -0.00304  -0.00137  -0.00441   2.11072
   A122       2.08328  -0.00010  -0.00062  -0.00080  -0.00142   2.08186
   A123       2.34586  -0.00002   0.00104   0.00044   0.00148   2.34734
   A124       2.27914   0.00004   0.00026   0.00062   0.00089   2.28003
   A125       1.67975  -0.00003   0.00107   0.00001   0.00109   1.68084
   A126       1.57382  -0.00005  -0.00272  -0.00134  -0.00406   1.56976
   A127       0.65775   0.00000   0.00009  -0.00001   0.00008   0.65783
   A128       0.66176   0.00001   0.00003   0.00001   0.00004   0.66180
   A129       2.14407   0.00000   0.00012   0.00017   0.00029   2.14436
   A130       1.77738   0.00000   0.00016   0.00011   0.00027   1.77765
   A131       1.47586   0.00001   0.00016   0.00011   0.00027   1.47614
   A132       1.18233   0.00001   0.00010   0.00007   0.00016   1.18249
   A133       1.63772   0.00000   0.00003   0.00004   0.00008   1.63780
   A134       1.97598  -0.00005  -0.00288  -0.00138  -0.00426   1.97172
   A135       2.11598  -0.00010  -0.00071  -0.00090  -0.00161   2.11436
   A136       2.49616  -0.00004   0.00030  -0.00019   0.00011   2.49627
   A137       2.57110   0.00003  -0.00008   0.00030   0.00023   2.57133
   A138       1.80006  -0.00002   0.00129   0.00026   0.00157   1.80164
   A139       1.80217  -0.00005  -0.00318  -0.00148  -0.00466   1.79751
   A140       0.70483   0.00000   0.00004  -0.00004   0.00000   0.70484
   A141       0.83922   0.00001   0.00018   0.00006   0.00024   0.83946
   A142       2.49425   0.00001   0.00016   0.00012   0.00028   2.49453
   A143       2.11543   0.00001   0.00021   0.00007   0.00028   2.11571
   A144       1.88106   0.00001   0.00023   0.00008   0.00031   1.88137
   A145       1.59280   0.00002   0.00016   0.00003   0.00019   1.59299
   A146       1.85057   0.00000   0.00007   0.00002   0.00009   1.85066
   A147       1.54868  -0.00006  -0.00288  -0.00133  -0.00421   1.54448
   A148       1.73412  -0.00009  -0.00075  -0.00084  -0.00159   1.73253
   A149       2.13916  -0.00005  -0.00024  -0.00050  -0.00075   2.13841
   A150       2.32814   0.00002  -0.00055  -0.00015  -0.00070   2.32744
   A151       1.50352  -0.00001   0.00132   0.00048   0.00182   1.50534
   A152       1.61342  -0.00004  -0.00330  -0.00140  -0.00472   1.60870
   A153       0.76657   0.00001   0.00011   0.00006   0.00017   0.76674
   A154       0.77563   0.00001   0.00029   0.00022   0.00051   0.77614
   A155       2.79706   0.00001   0.00020   0.00013   0.00033   2.79739
   A156       2.41957   0.00000   0.00024   0.00006   0.00031   2.41987
   A157       2.12993   0.00001   0.00025   0.00011   0.00036   2.13029
   A158       1.83578   0.00001   0.00019   0.00006   0.00025   1.83603
   A159       2.16459   0.00000   0.00008  -0.00005   0.00003   2.16463
   A160       1.39909  -0.00007  -0.00249  -0.00129  -0.00377   1.39532
   A161       1.67922  -0.00008  -0.00072  -0.00085  -0.00157   1.67765
   A162       2.07586  -0.00006  -0.00081  -0.00092  -0.00173   2.07412
   A163       2.33530  -0.00001  -0.00085  -0.00061  -0.00145   2.33385
   A164       1.57075   0.00000   0.00121   0.00049   0.00172   1.57248
   A165       1.76116  -0.00003  -0.00310  -0.00135  -0.00449   1.75667
   A166       2.11227   0.00000   0.00008   0.00016   0.00024   2.11252
   A167       1.82272   0.00000   0.00010   0.00010   0.00020   1.82292
   A168       1.43292   0.00000   0.00007   0.00008   0.00015   1.43306
   A169       1.15719   0.00001   0.00003   0.00003   0.00007   1.15726
   A170       1.84663   0.00000   0.00000   0.00004   0.00004   1.84666
   A171       2.16074  -0.00007  -0.00219  -0.00117  -0.00336   2.15738
   A172       2.43019  -0.00008  -0.00067  -0.00085  -0.00152   2.42867
   A173       2.83690  -0.00005  -0.00047  -0.00071  -0.00120   2.83570
   A174       2.18825  -0.00001   0.00133   0.00034   0.00169   2.18994
   A175       2.20849  -0.00005  -0.00317  -0.00148  -0.00466   2.20384
   A176       2.20218  -0.00001  -0.00016  -0.00001  -0.00016   2.20202
   A177       1.99357   0.00000  -0.00013  -0.00005  -0.00017   1.99340
   A178       1.58119   0.00000  -0.00019  -0.00008  -0.00026   1.58092
   A179       1.33786   0.00000  -0.00018  -0.00011  -0.00028   1.33757
   A180       2.10126   0.00000  -0.00014  -0.00006  -0.00020   2.10106
   A181       2.06646  -0.00007  -0.00120  -0.00074  -0.00193   2.06453
   A182       2.42335  -0.00005  -0.00029  -0.00050  -0.00078   2.42257
   A183       2.74689  -0.00004  -0.00117  -0.00099  -0.00216   2.74472
   A184       2.33243   0.00001   0.00151   0.00063   0.00217   2.33459
   A185       2.43961  -0.00003  -0.00319  -0.00142  -0.00462   2.43499
   A186       0.68978   0.00000  -0.00001   0.00007   0.00006   0.68985
   A187       0.98054  -0.00001   0.00003   0.00011   0.00015   0.98069
   A188       0.69649   0.00001   0.00005   0.00006   0.00011   0.69660
   A189       2.00039   0.00007   0.00178   0.00090   0.00266   2.00304
   A190       1.65738   0.00005   0.00043   0.00049   0.00092   1.65830
   A191       1.30098   0.00005   0.00096   0.00087   0.00183   1.30281
   A192       1.01460   0.00002   0.00076   0.00058   0.00134   1.01594
   A193       1.63251  -0.00002  -0.00108  -0.00076  -0.00187   1.63065
   A194       1.36999   0.00001   0.00242   0.00084   0.00330   1.37329
   A195       0.66644  -0.00001   0.00006   0.00006   0.00013   0.66658
   A196       2.20729   0.00007   0.00079   0.00056   0.00134   2.20863
   A197       1.81689   0.00002   0.00025   0.00029   0.00054   1.81743
   A198       1.54131   0.00004   0.00123   0.00102   0.00225   1.54355
   A199       1.25495   0.00003   0.00073   0.00075   0.00148   1.25643
   A200       1.64031  -0.00003  -0.00065  -0.00074  -0.00141   1.63890
   A201       1.33427  -0.00001   0.00143   0.00034   0.00182   1.33609
   A202       0.70995   0.00001   0.00010   0.00004   0.00014   0.71009
   A203       2.61967   0.00007   0.00068   0.00052   0.00117   2.62084
   A204       2.22551   0.00002   0.00028   0.00027   0.00055   2.22605
   A205       1.95134   0.00004   0.00123   0.00103   0.00226   1.95361
   A206       1.66257   0.00003   0.00079   0.00075   0.00155   1.66412
   A207       1.98935  -0.00003  -0.00026  -0.00063  -0.00091   1.98844
   A208       1.67820  -0.00002   0.00079   0.00005   0.00089   1.67908
   A209       0.83148   0.00000   0.00002   0.00004   0.00006   0.83154
   A210       2.75832   0.00005  -0.00111  -0.00025  -0.00139   2.75693
   A211       2.38703  -0.00002   0.00005   0.00002   0.00006   2.38709
   A212       2.19821   0.00004   0.00137   0.00110   0.00248   2.20068
   A213       1.91744   0.00003   0.00078   0.00082   0.00161   1.91905
   A214       2.04910  -0.00003   0.00011  -0.00050  -0.00039   2.04871
   A215       1.75597  -0.00003  -0.00021  -0.00036  -0.00053   1.75544
   A216       1.94645   0.00006  -0.00031   0.00009  -0.00024   1.94621
   A217       1.55795  -0.00001   0.00007   0.00004   0.00010   1.55806
   A218       1.41184   0.00003   0.00149   0.00104   0.00254   1.41437
   A219       1.16919   0.00004   0.00066   0.00080   0.00147   1.17066
   A220       1.27942  -0.00004  -0.00037  -0.00067  -0.00106   1.27836
   A221       0.96827  -0.00003   0.00066   0.00000   0.00072   0.96900
   A222       0.69944   0.00002   0.00078   0.00002   0.00080   0.70024
   A223       0.98721   0.00005   0.00087   0.00024   0.00111   0.98832
   A224       0.71013   0.00008  -0.00150   0.00013  -0.00135   0.70879
   A225       1.00294   0.00009  -0.00080   0.00016  -0.00071   1.00223
   A226       0.65848   0.00006  -0.00019   0.00015  -0.00004   0.65843
   A227       0.65721  -0.00001   0.00082   0.00041   0.00120   0.65841
   A228       0.70143  -0.00001  -0.00071  -0.00020  -0.00092   0.70050
   A229       0.77296   0.00003   0.00375   0.00182   0.00555   0.77851
   A230       0.82514   0.00003  -0.00184  -0.00058  -0.00243   0.82271
   A231       0.77058   0.00008   0.00306   0.00170   0.00478   0.77537
   A232       1.70787  -0.00003  -0.00083  -0.00065  -0.00148   1.70639
   A233       1.79050   0.00003   0.00469   0.00152   0.00620   1.79670
   A234       2.19135  -0.00001   0.00003   0.00003   0.00005   2.19141
   A235       2.12902   0.00000  -0.00025  -0.00010  -0.00035   2.12867
   A236       1.96265   0.00002   0.00024   0.00007   0.00032   1.96297
   A237       2.12406  -0.00001   0.00015   0.00002   0.00015   2.12422
   A238       2.12195   0.00001  -0.00021  -0.00001  -0.00023   2.12172
   A239       2.03680   0.00000   0.00017   0.00003   0.00020   2.03701
   A240       1.71556   0.00004   0.00148   0.00101   0.00249   1.71805
   A241       2.64732  -0.00003  -0.00157  -0.00091  -0.00248   2.64484
   A242       1.91234   0.00002  -0.00003   0.00000  -0.00003   1.91231
   A243       1.91297   0.00001  -0.00050  -0.00002  -0.00051   1.91245
   A244       1.92489  -0.00001   0.00020   0.00018   0.00037   1.92526
   A245       1.90733  -0.00001   0.00010  -0.00003   0.00008   1.90741
   A246       1.91166   0.00000   0.00015  -0.00004   0.00011   1.91178
   A247       1.89447  -0.00001   0.00008  -0.00011  -0.00002   1.89445
   A248       1.37162  -0.00002  -0.00051  -0.00047  -0.00098   1.37063
   A249       1.90657   0.00000   0.00011   0.00004   0.00015   1.90671
   A250       1.90800  -0.00002   0.00011   0.00001   0.00012   1.90812
   A251       1.93059  -0.00001  -0.00015  -0.00007  -0.00023   1.93036
   A252       1.91154   0.00001   0.00001  -0.00006  -0.00005   1.91149
   A253       1.89510   0.00000   0.00003   0.00005   0.00008   1.89518
   A254       1.91192   0.00002  -0.00010   0.00004  -0.00007   1.91185
   A255       1.71670   0.00000  -0.00010  -0.00004  -0.00014   1.71657
   A256       1.78121   0.00001   0.00019   0.00001   0.00020   1.78141
   A257       2.18990  -0.00001   0.00003   0.00001   0.00004   2.18995
   A258       2.13038   0.00000   0.00002  -0.00004  -0.00002   2.13036
   A259       1.96270   0.00001  -0.00004   0.00002  -0.00002   1.96268
   A260       2.12275   0.00001   0.00005   0.00002   0.00007   2.12282
   A261       2.12490   0.00000  -0.00010  -0.00002  -0.00011   2.12479
   A262       2.03548  -0.00001   0.00005   0.00001   0.00005   2.03553
   A263       1.34954   0.00002   0.00047   0.00048   0.00095   1.35049
   A264       1.90027   0.00002  -0.00002   0.00009   0.00007   1.90034
   A265       1.93185  -0.00002  -0.00002  -0.00016  -0.00018   1.93166
   A266       1.90924   0.00000   0.00004   0.00007   0.00011   1.90936
   A267       1.89820   0.00000  -0.00006   0.00000  -0.00006   1.89814
   A268       1.91356  -0.00001   0.00017  -0.00006   0.00011   1.91367
   A269       1.91061   0.00000  -0.00011   0.00007  -0.00004   1.91057
   A270       2.64088  -0.00001  -0.00064  -0.00038  -0.00103   2.63986
   A271       1.72333   0.00002   0.00067   0.00039   0.00106   1.72439
   A272       1.92367  -0.00001  -0.00025  -0.00003  -0.00027   1.92340
   A273       1.91529   0.00002   0.00006   0.00005   0.00012   1.91541
   A274       1.91458   0.00001   0.00008  -0.00006   0.00002   1.91460
   A275       1.89456  -0.00001   0.00011   0.00000   0.00011   1.89467
   A276       1.91049   0.00000   0.00001  -0.00001   0.00000   1.91049
   A277       1.90502  -0.00001  -0.00002   0.00004   0.00003   1.90504
   A278       1.82393   0.00000   0.00085   0.00010   0.00096   1.82489
   A279       1.74491  -0.00001  -0.00048  -0.00023  -0.00071   1.74420
   A280       2.18946   0.00000   0.00003   0.00005   0.00008   2.18954
   A281       2.13064   0.00000   0.00005  -0.00004   0.00001   2.13064
   A282       1.96301   0.00000  -0.00008  -0.00001  -0.00009   1.96292
   A283       2.12162  -0.00002  -0.00014   0.00001  -0.00013   2.12149
   A284       2.11540   0.00000   0.00014   0.00002   0.00016   2.11557
   A285       2.04173   0.00002  -0.00003  -0.00001  -0.00004   2.04169
   A286       2.70770   0.00001   0.00033   0.00021   0.00054   2.70824
   A287       1.65091   0.00000  -0.00036  -0.00014  -0.00050   1.65041
   A288       1.92665   0.00001   0.00038  -0.00007   0.00031   1.92696
   A289       1.91403  -0.00001  -0.00012   0.00018   0.00006   1.91409
   A290       1.91208   0.00000   0.00002   0.00001   0.00003   1.91210
   A291       1.89130   0.00000  -0.00019  -0.00004  -0.00023   1.89107
   A292       1.91265   0.00000  -0.00007  -0.00005  -0.00012   1.91253
   A293       1.90691   0.00000  -0.00003  -0.00002  -0.00005   1.90686
   A294       1.36805  -0.00002   0.00037  -0.00028   0.00009   1.36815
   A295       1.14339   0.00001  -0.00034   0.00023  -0.00011   1.14328
   A296       1.93255   0.00001   0.00001   0.00010   0.00011   1.93266
   A297       1.90618   0.00000   0.00047  -0.00006   0.00040   1.90658
   A298       1.90234   0.00000  -0.00019   0.00002  -0.00016   1.90218
   A299       1.90971   0.00000  -0.00003  -0.00001  -0.00004   1.90967
   A300       1.89801   0.00000  -0.00007   0.00001  -0.00007   1.89794
   A301       1.91499  -0.00001  -0.00019  -0.00006  -0.00025   1.91473
   A302       1.83493   0.00001   0.00290  -0.00103   0.00191   1.83684
   A303       1.62458   0.00029  -0.00291   0.00007  -0.00285   1.62173
   A304       2.19835   0.00019   0.00024  -0.00080  -0.00054   2.19780
   A305       2.13098  -0.00013   0.00127  -0.00041   0.00087   2.13185
   A306       1.95348  -0.00005  -0.00154   0.00119  -0.00033   1.95315
   A307       2.13822  -0.00031   0.00210  -0.00146   0.00064   2.13885
   A308       2.11264   0.00034  -0.00201   0.00176  -0.00019   2.11245
   A309       2.03233  -0.00003  -0.00009  -0.00030  -0.00047   2.03187
   A310       1.68810  -0.00013  -0.00417  -0.00336  -0.00749   1.68061
   A311       2.67181   0.00024   0.00272   0.00378   0.00645   2.67826
   A312       1.90832   0.00008  -0.00023   0.00017  -0.00004   1.90828
   A313       1.91668  -0.00003  -0.00024   0.00005  -0.00019   1.91648
   A314       1.90942   0.00019  -0.00172   0.00044  -0.00131   1.90811
   A315       1.91755  -0.00011   0.00148  -0.00046   0.00102   1.91857
   A316       1.92375  -0.00024   0.00229  -0.00102   0.00127   1.92502
   A317       1.88803   0.00012  -0.00161   0.00084  -0.00077   1.88727
   A318       1.39080   0.00048   0.01842   0.01278   0.03117   1.42197
   A319       1.91354   0.00007  -0.00064   0.00073   0.00004   1.91358
   A320       1.90022   0.00019   0.00331   0.00027   0.00332   1.90354
   A321       1.93762  -0.00011  -0.00252   0.00027  -0.00211   1.93551
   A322       1.89537   0.00021  -0.00145   0.00151   0.00013   1.89550
   A323       1.92069  -0.00033   0.00056  -0.00150  -0.00094   1.91975
   A324       1.89571  -0.00001   0.00079  -0.00124  -0.00036   1.89535
   A325       2.91797  -0.00001  -0.00070  -0.00030  -0.00099   2.91698
   A326       3.31180  -0.00005  -0.00018  -0.00054  -0.00074   3.31106
   A327       3.02860  -0.00005  -0.00015  -0.00052  -0.00068   3.02792
   A328       3.28354   0.00000  -0.00061  -0.00044  -0.00105   3.28249
   A329       3.26015   0.00002   0.00036   0.00055   0.00091   3.26106
   A330       3.27777  -0.00001   0.00034  -0.00029   0.00005   3.27782
   A331       3.31149   0.00016   0.01898   0.01127   0.03023   3.34172
   A332       3.20676   0.00002   0.00088   0.00043   0.00131   3.20807
   A333       3.12491  -0.00001  -0.00068  -0.00062  -0.00130   3.12362
   A334       3.07534  -0.00001  -0.00069  -0.00056  -0.00125   3.07409
   A335       3.22644  -0.00001   0.00058   0.00008   0.00067   3.22711
   A336       3.07392   0.00002  -0.00030   0.00007  -0.00022   3.07370
   A337       3.10120   0.00000  -0.00033   0.00011  -0.00022   3.10098
   A338       3.06753   0.00014   0.00067  -0.00316  -0.00237   3.06516
    D1        2.74053   0.00000   0.00056   0.00026   0.00081   2.74134
    D2       -1.35477  -0.00001   0.00151   0.00041   0.00192  -1.35285
    D3        2.71119   0.00001   0.00095   0.00066   0.00161   2.71281
    D4       -1.38410   0.00001   0.00191   0.00081   0.00272  -1.38138
    D5        1.61431   0.00000   0.00004   0.00021   0.00025   1.61456
    D6       -2.48098  -0.00001   0.00099   0.00037   0.00136  -2.47963
    D7        1.76901   0.00001   0.00036   0.00038   0.00074   1.76975
    D8       -2.32629   0.00000   0.00131   0.00054   0.00184  -2.32444
    D9        0.23140   0.00001   0.00056   0.00025   0.00081   0.23221
   D10        2.41929   0.00000   0.00151   0.00040   0.00192   2.42121
   D11       -0.03411   0.00000   0.00019   0.00018   0.00036  -0.03375
   D12        2.15377  -0.00001   0.00114   0.00033   0.00147   2.15524
   D13       -0.49556   0.00000   0.00007   0.00023   0.00030  -0.49526
   D14        1.69233  -0.00001   0.00103   0.00038   0.00141   1.69373
   D15       -0.61658  -0.00001  -0.00023   0.00001  -0.00022  -0.61680
   D16        1.57130  -0.00002   0.00073   0.00017   0.00089   1.57219
   D17        0.15103  -0.00001  -0.00013   0.00006  -0.00008   0.15095
   D18        2.33892  -0.00001   0.00082   0.00021   0.00103   2.33995
   D19        0.10145   0.00000  -0.00014   0.00012  -0.00003   0.10143
   D20        2.28934  -0.00001   0.00081   0.00027   0.00108   2.29042
   D21        2.28332  -0.00001  -0.00021   0.00013  -0.00008   2.28324
   D22       -1.81198  -0.00001   0.00074   0.00029   0.00102  -1.81095
   D23        2.03069  -0.00001  -0.00034  -0.00001  -0.00035   2.03034
   D24       -2.06460  -0.00002   0.00061   0.00014   0.00076  -2.06385
   D25        1.59202   0.00000  -0.00016   0.00006  -0.00011   1.59191
   D26       -2.50328  -0.00001   0.00079   0.00021   0.00100  -2.50228
   D27        1.28449   0.00000  -0.00007   0.00005  -0.00002   1.28446
   D28       -2.81081   0.00000   0.00089   0.00020   0.00109  -2.80973
   D29        2.22124  -0.00002  -0.00093  -0.00031  -0.00124   2.22000
   D30       -1.87406  -0.00002   0.00002  -0.00015  -0.00013  -1.87419
   D31       -2.00810   0.00006   0.00206   0.00122   0.00327  -2.00483
   D32        0.17979   0.00006   0.00301   0.00138   0.00438   0.18417
   D33       -2.30953   0.00006   0.00035   0.00078   0.00112  -2.30842
   D34       -0.12165   0.00006   0.00130   0.00093   0.00222  -0.11942
   D35       -2.69694   0.00005   0.00064   0.00096   0.00160  -2.69534
   D36       -0.50905   0.00004   0.00159   0.00111   0.00270  -0.50635
   D37       -2.97389   0.00001   0.00055   0.00068   0.00122  -2.97267
   D38       -0.78600   0.00000   0.00150   0.00083   0.00233  -0.78367
   D39       -2.23390  -0.00002  -0.00192  -0.00073  -0.00269  -2.23658
   D40       -0.04601  -0.00003  -0.00097  -0.00058  -0.00158  -0.04759
   D41       -2.53667   0.00000   0.00283   0.00124   0.00414  -2.53253
   D42       -0.34879  -0.00001   0.00378   0.00140   0.00525  -0.34353
   D43        1.34674   0.00000  -0.00029  -0.00045  -0.00073   1.34601
   D44       -1.98124   0.00000   0.00058   0.00038   0.00097  -1.98027
   D45        2.49389   0.00001  -0.00055  -0.00031  -0.00086   2.49303
   D46       -0.83409   0.00002   0.00032   0.00052   0.00084  -0.83325
   D47        2.95461   0.00002  -0.00040  -0.00017  -0.00057   2.95404
   D48       -0.37337   0.00002   0.00047   0.00065   0.00112  -0.37225
   D49        2.85531  -0.00002  -0.00236  -0.00144  -0.00380   2.85152
   D50       -0.47266  -0.00002  -0.00149  -0.00062  -0.00210  -0.47477
   D51        2.03521  -0.00001  -0.00171  -0.00095  -0.00266   2.03255
   D52       -1.29277  -0.00001  -0.00084  -0.00013  -0.00096  -1.29373
   D53        1.16714   0.00000  -0.00104  -0.00043  -0.00147   1.16567
   D54       -2.16083   0.00000  -0.00017   0.00040   0.00023  -2.16061
   D55        1.05207  -0.00001  -0.00123  -0.00074  -0.00198   1.05009
   D56       -2.27590  -0.00001  -0.00036   0.00008  -0.00028  -2.27619
   D57        2.04623  -0.00001  -0.00151  -0.00088  -0.00239   2.04384
   D58       -1.28175  -0.00001  -0.00064  -0.00006  -0.00070  -1.28244
   D59        1.87411  -0.00001  -0.00119  -0.00070  -0.00189   1.87222
   D60       -1.45387   0.00000  -0.00033   0.00013  -0.00020  -1.45406
   D61       -2.29755  -0.00001  -0.00114  -0.00059  -0.00173  -2.29928
   D62        0.65766   0.00000  -0.00027   0.00024  -0.00004   0.65763
   D63       -2.41677  -0.00001  -0.00132  -0.00075  -0.00208  -2.41885
   D64        0.53844  -0.00001  -0.00045   0.00007  -0.00038   0.53806
   D65       -2.81654  -0.00001  -0.00146  -0.00083  -0.00229  -2.81883
   D66        0.13867  -0.00001  -0.00059   0.00000  -0.00059   0.13808
   D67       -2.98816  -0.00002  -0.00155  -0.00092  -0.00248  -2.99064
   D68       -0.03295  -0.00001  -0.00068  -0.00010  -0.00078  -0.03373
   D69       -2.12929  -0.00001  -0.00147  -0.00086  -0.00234  -2.13163
   D70        0.82592  -0.00001  -0.00060  -0.00004  -0.00064   0.82528
   D71       -0.19376   0.00006  -0.00111  -0.00045  -0.00157  -0.19533
   D72        2.76145   0.00006  -0.00024   0.00037   0.00012   2.76157
   D73       -0.59095   0.00000  -0.00119  -0.00058  -0.00178  -0.59274
   D74        2.36425   0.00000  -0.00032   0.00024  -0.00009   2.36417
   D75       -0.84139   0.00003  -0.00003   0.00032   0.00029  -0.84110
   D76        2.11382   0.00003   0.00084   0.00114   0.00199   2.11580
   D77       -1.15664   0.00002  -0.00053   0.00006  -0.00048  -1.15712
   D78        1.79857   0.00002   0.00034   0.00088   0.00122   1.79979
   D79       -0.79859  -0.00004  -0.00191  -0.00151  -0.00344  -0.80202
   D80        2.15662  -0.00004  -0.00104  -0.00069  -0.00174   2.15488
   D81       -1.12409  -0.00003  -0.00041  -0.00069  -0.00105  -1.12515
   D82        1.83111  -0.00003   0.00046   0.00014   0.00064   1.83176
   D83       -1.49945   0.00000  -0.00026  -0.00021  -0.00047  -1.49992
   D84       -2.59828   0.00002   0.00033   0.00005   0.00038  -2.59789
   D85       -2.96649   0.00002   0.00087   0.00035   0.00121  -2.96528
   D86        0.71472   0.00000  -0.00043  -0.00043  -0.00086   0.71386
   D87        0.29636   0.00000  -0.00046  -0.00039  -0.00085   0.29551
   D88       -0.08745   0.00000  -0.00042  -0.00025  -0.00067  -0.08812
   D89       -0.41403   0.00000  -0.00053  -0.00034  -0.00087  -0.41491
   D90        0.18314  -0.00001  -0.00055  -0.00048  -0.00103   0.18211
   D91       -0.04288  -0.00001  -0.00044  -0.00041  -0.00085  -0.04373
   D92        2.36088   0.00000  -0.00036  -0.00021  -0.00057   2.36031
   D93        2.01801   0.00000  -0.00041  -0.00034  -0.00075   2.01726
   D94        1.61993   0.00000  -0.00047  -0.00037  -0.00085   1.61908
   D95        1.33664   0.00000  -0.00053  -0.00045  -0.00098   1.33566
   D96        2.02910  -0.00001  -0.00057  -0.00046  -0.00103   2.02807
   D97       -2.06523   0.00007   0.00089   0.00044   0.00132  -2.06391
   D98       -2.52853   0.00000  -0.00042  -0.00023  -0.00065  -2.52918
   D99       -2.78339   0.00003   0.00087   0.00062   0.00149  -2.78190
   D100      -3.05820   0.00003   0.00016   0.00036   0.00052  -3.05768
   D101      -2.86193  -0.00009  -0.00165  -0.00201  -0.00367  -2.86560
   D102       2.90680  -0.00009  -0.00212  -0.00176  -0.00385   2.90295
   D103      -2.86066  -0.00001  -0.00117  -0.00037  -0.00154  -2.86221
   D104       1.23297  -0.00001  -0.00122  -0.00031  -0.00154   1.23143
   D105       2.87709   0.00000  -0.00017  -0.00005  -0.00022   2.87688
   D106       0.68754   0.00000  -0.00022   0.00000  -0.00021   0.68733
   D107       2.37860   0.00002   0.00098   0.00062   0.00160   2.38020
   D108       0.18905   0.00002   0.00093   0.00068   0.00161   0.19065
   D109       1.79125   0.00001   0.00072   0.00029   0.00101   1.79226
   D110      -0.39831   0.00001   0.00067   0.00034   0.00102  -0.39729
   D111       2.63418  -0.00001  -0.00036  -0.00021  -0.00057   2.63361
   D112       0.44462   0.00000  -0.00041  -0.00016  -0.00057   0.44406
   D113       2.30485  -0.00001  -0.00046  -0.00031  -0.00077   2.30408
   D114       0.11529  -0.00001  -0.00051  -0.00026  -0.00076   0.11453
   D115      -1.60991   0.00000  -0.00007  -0.00005  -0.00012  -1.61004
   D116       2.48372   0.00001  -0.00012   0.00000  -0.00012   2.48360
   D117      -1.77226   0.00001  -0.00003   0.00010   0.00007  -1.77219
   D118       2.32137   0.00001  -0.00008   0.00015   0.00008   2.32145
   D119      -2.73495   0.00001  -0.00009  -0.00006  -0.00015  -2.73509
   D120       1.35869   0.00001  -0.00014   0.00000  -0.00014   1.35855
   D121      -2.70847   0.00000  -0.00036  -0.00021  -0.00057  -2.70904
   D122       1.38516   0.00000  -0.00041  -0.00016  -0.00056   1.38460
   D123       1.38815   0.00001  -0.00011  -0.00009  -0.00020   1.38795
   D124      -0.80140   0.00001  -0.00016  -0.00004  -0.00020  -0.80160
   D125       1.35334   0.00001  -0.00007  -0.00007  -0.00014   1.35320
   D126      -0.83622   0.00001  -0.00012  -0.00001  -0.00013  -0.83635
   D127       1.70840   0.00001   0.00001  -0.00003  -0.00001   1.70839
   D128      -0.48115   0.00002  -0.00004   0.00003  -0.00001  -0.48116
   D129       1.82781   0.00002  -0.00005  -0.00003  -0.00007   1.82774
   D130      -0.36174   0.00002  -0.00010   0.00003  -0.00007  -0.36181
   D131       0.95080   0.00000  -0.00009  -0.00005  -0.00013   0.95067
   D132      -1.23875   0.00001  -0.00014   0.00001  -0.00013  -1.23887
   D133      -0.87073  -0.00007  -0.00031  -0.00046  -0.00075  -0.87148
   D134      -3.06029  -0.00007  -0.00036  -0.00041  -0.00074  -3.06103
   D135      -0.41282  -0.00002  -0.00047  -0.00051  -0.00097  -0.41379
   D136      -2.60238  -0.00002  -0.00052  -0.00045  -0.00096  -2.60334
   D137      -0.01965  -0.00006  -0.00161  -0.00151  -0.00314  -0.02278
   D138      -2.20920  -0.00006  -0.00166  -0.00146  -0.00313  -2.21233
   D139       0.36420  -0.00001  -0.00114  -0.00088  -0.00202   0.36219
   D140      -1.82535  -0.00001  -0.00119  -0.00082  -0.00201  -1.82736
   D141      -0.27094   0.00003   0.00074   0.00067   0.00143  -0.26951
   D142      -2.46049   0.00003   0.00069   0.00073   0.00144  -2.45906
   D143       0.02255   0.00001  -0.00197  -0.00064  -0.00265   0.01990
   D144      -2.16700   0.00001  -0.00202  -0.00058  -0.00265  -2.16965
   D145      -2.47760  -0.00001  -0.00110  -0.00051  -0.00161  -2.47921
   D146      -2.70392   0.00000  -0.00049  -0.00037  -0.00086  -2.70478
   D147      -2.35471  -0.00001  -0.00067  -0.00055  -0.00123  -2.35594
   D148       3.03925  -0.00001  -0.00056  -0.00044  -0.00100   3.03825
   D149       2.67117  -0.00001  -0.00047  -0.00043  -0.00090   2.67027
   D150       1.51525   0.00000  -0.00022  -0.00011  -0.00032   1.51493
   D151       2.61428   0.00000  -0.00033  -0.00009  -0.00041   2.61387
   D152       2.98072   0.00000  -0.00052  -0.00023  -0.00074   2.97998
   D153       1.28173   0.00001  -0.00033  -0.00020  -0.00053   1.28120
   D154       1.30892   0.00001  -0.00025  -0.00013  -0.00038   1.30854
   D155       1.68662   0.00001  -0.00011  -0.00007  -0.00018   1.68644
   D156       1.74628   0.00001  -0.00018  -0.00007  -0.00025   1.74603
   D157       0.94374   0.00000  -0.00025  -0.00012  -0.00036   0.94338
   D158      -1.01195  -0.00004   0.00094   0.00018   0.00114  -1.01081
   D159      -0.66086   0.00005  -0.00011   0.00009  -0.00002  -0.66089
   D160      -0.61513  -0.00001  -0.00204  -0.00126  -0.00330  -0.61843
   D161      -0.33484  -0.00006  -0.00121  -0.00124  -0.00246  -0.33729
   D162      -0.30246   0.00005  -0.00027   0.00044   0.00017  -0.30228
   D163      -0.01086   0.00004   0.00012   0.00033   0.00042  -0.01045
   D164      -1.25578  -0.00002  -0.00110   0.00002  -0.00109  -1.25687
   D165       1.70204  -0.00002  -0.00051  -0.00001  -0.00053   1.70151
   D166      -1.61518  -0.00001  -0.00043   0.00019  -0.00024  -1.61542
   D167       1.34265  -0.00001   0.00016   0.00016   0.00032   1.34297
   D168      -1.68192   0.00000  -0.00007   0.00037   0.00030  -1.68162
   D169       1.27590   0.00000   0.00052   0.00035   0.00086   1.27677
   D170      -1.97597   0.00001   0.00094   0.00094   0.00188  -1.97409
   D171       0.98186   0.00001   0.00153   0.00091   0.00244   0.98430
   D172      -1.96733  -0.00002  -0.00058   0.00005  -0.00053  -1.96786
   D173       0.99049  -0.00002   0.00000   0.00003   0.00003   0.99052
   D174      -2.26808  -0.00002  -0.00050   0.00007  -0.00043  -2.26851
   D175       0.68974  -0.00002   0.00009   0.00004   0.00013   0.68987
   D176       1.97889  -0.00001  -0.00027   0.00027   0.00000   1.97889
   D177      -1.34647  -0.00001   0.00032   0.00024   0.00056  -1.34591
   D178       0.83255  -0.00001  -0.00039   0.00032  -0.00006   0.83248
   D179      -2.49281  -0.00001   0.00020   0.00029   0.00050  -2.49231
   D180       0.36730   0.00000  -0.00036   0.00043   0.00008   0.36738
   D181      -2.95806   0.00000   0.00023   0.00040   0.00064  -2.95741
   D182      -3.06209   0.00000  -0.00023   0.00035   0.00012  -3.06196
   D183      -0.10426   0.00000   0.00036   0.00033   0.00069  -0.10358
   D184       2.95384   0.00000  -0.00018   0.00033   0.00014   2.95398
   D185      -0.37152   0.00000   0.00040   0.00030   0.00071  -0.37081
   D186       3.09638   0.00001  -0.00009   0.00038   0.00029   3.09667
   D187      -0.22898   0.00001   0.00050   0.00036   0.00086  -0.22813
   D188       2.98945   0.00001  -0.00017   0.00037   0.00019   2.98964
   D189      -0.33591   0.00001   0.00042   0.00034   0.00075  -0.33516
   D190       2.51375  -0.00001  -0.00027   0.00030   0.00003   2.51378
   D191      -0.81161  -0.00001   0.00032   0.00027   0.00059  -0.81102
   D192       0.23754  -0.00003   0.00228   0.00122   0.00350   0.24104
   D193      -3.08782  -0.00003   0.00287   0.00119   0.00407  -3.08375
   D194       0.62994   0.00007   0.00007   0.00076   0.00084   0.63078
   D195      -2.69542   0.00007   0.00066   0.00074   0.00140  -2.69402
   D196       0.58361  -0.00003  -0.00501  -0.00256  -0.00755   0.57606
   D197      -2.74175  -0.00003  -0.00443  -0.00258  -0.00698  -2.74873
   D198       1.10890   0.00004  -0.00003   0.00105   0.00104   1.10994
   D199      -2.21646   0.00004   0.00056   0.00103   0.00160  -2.21486
   D200       1.49370   0.00002  -0.00149   0.00009  -0.00145   1.49225
   D201      -1.83166   0.00002  -0.00090   0.00006  -0.00089  -1.83255
   D202       1.64487   0.00001   0.00109   0.00041   0.00150   1.64636
   D203      -0.57250   0.00002   0.00090   0.00051   0.00142  -0.57108
   D204       1.68301   0.00001   0.00070   0.00031   0.00100   1.68401
   D205      -0.53436   0.00001   0.00051   0.00042   0.00092  -0.53344
   D206       1.32560   0.00002   0.00088   0.00042   0.00130   1.32690
   D207      -0.89176   0.00002   0.00069   0.00052   0.00122  -0.89054
   D208       1.17404   0.00000   0.00043   0.00005   0.00048   1.17452
   D209      -1.04333   0.00000   0.00025   0.00016   0.00040  -1.04293
   D210       2.09938   0.00002   0.00068   0.00036   0.00104   2.10041
   D211      -0.11799   0.00002   0.00049   0.00047   0.00096  -0.11703
   D212       2.21323   0.00001   0.00039   0.00024   0.00063   2.21386
   D213      -0.00413   0.00001   0.00021   0.00035   0.00055  -0.00358
   D214      -2.23475   0.00001   0.00042   0.00008   0.00050  -2.23425
   D215       1.83107   0.00001   0.00023   0.00019   0.00042   1.83149
   D216      -2.42503   0.00000   0.00041   0.00010   0.00051  -2.42452
   D217       1.64079   0.00001   0.00023   0.00021   0.00043   1.64122
   D218      -2.07892   0.00000   0.00051   0.00014   0.00064  -2.07827
   D219       1.98690   0.00001   0.00032   0.00024   0.00057   1.98747
   D220      -2.28181   0.00002   0.00059   0.00055   0.00114  -2.28067
   D221       1.78401   0.00002   0.00041   0.00066   0.00106   1.78507
   D222      -2.90415   0.00000   0.00040   0.00005   0.00045  -2.90370
   D223       1.16167   0.00000   0.00022   0.00016   0.00037   1.16204
   D224       3.05054  -0.00001   0.00036   0.00002   0.00037   3.05091
   D225       0.83317  -0.00001   0.00017   0.00013   0.00029   0.83347
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   D228      -2.64833  -0.00001   0.00033   0.00002   0.00036  -2.64797
   D229       1.41749  -0.00001   0.00015   0.00013   0.00028   1.41777
   D230      -1.55904   0.00000   0.00033  -0.00004   0.00029  -1.55875
   D231       2.50678   0.00001   0.00014   0.00007   0.00021   2.50699
   D232       0.09309   0.00002  -0.00222  -0.00091  -0.00315   0.08995
   D233      -2.12427   0.00002  -0.00241  -0.00080  -0.00322  -2.12750
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   D236       0.08652  -0.00002   0.00153   0.00055   0.00207   0.08860
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   D238       0.03763   0.00005   0.00049   0.00057   0.00107   0.03871
   D239      -2.17973   0.00005   0.00031   0.00068   0.00100  -2.17873
   D240      -0.53807  -0.00003   0.00127  -0.00007   0.00120  -0.53687
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   D246      -3.11596   0.00001   0.00118   0.00000   0.00119  -3.11478
   D247      -0.20618   0.00002   0.00014   0.00015   0.00030  -0.20588
   D248       2.75896   0.00002   0.00151   0.00016   0.00167   2.76063
   D249      -0.61444   0.00002   0.00046   0.00032   0.00078  -0.61365
   D250       2.52581   0.00001   0.00134  -0.00003   0.00132   2.52712
   D251      -0.84759   0.00001   0.00030   0.00012   0.00043  -0.84716
   D252      -2.91469   0.00001   0.00102  -0.00007   0.00095  -2.91374
   D253      -0.00490   0.00001  -0.00002   0.00008   0.00006  -0.00484
   D254      -3.08507   0.00000   0.00063  -0.00034   0.00030  -3.08477
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   D258      -0.92337   0.00001   0.00100  -0.00014   0.00086  -0.92250
   D259       1.98642   0.00001  -0.00004   0.00002  -0.00002   1.98640
   D260      -0.77975   0.00001   0.00096  -0.00017   0.00079  -0.77896
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   D262      -0.99637   0.00001   0.00091  -0.00004   0.00088  -0.99550
   D263       1.91342   0.00001  -0.00013   0.00011  -0.00001   1.91340
   D264      -1.33062   0.00001   0.00103  -0.00012   0.00091  -1.32972
   D265       1.57916   0.00001  -0.00001   0.00003   0.00002   1.57918
   D266      -1.57760   0.00000   0.00092  -0.00018   0.00074  -1.57686
   D267       1.33218   0.00000  -0.00012  -0.00002  -0.00015   1.33204
   D268       1.97927   0.00000   0.00083  -0.00019   0.00064   1.97991
   D269      -1.39412   0.00000  -0.00021  -0.00004  -0.00025  -1.39437
   D270       0.86295   0.00000   0.00082  -0.00022   0.00060   0.86356
   D271      -2.51044   0.00000  -0.00022  -0.00007  -0.00028  -2.51073
   D272       1.32729  -0.00001  -0.00463  -0.00252  -0.00718   1.32011
   D273      -2.04611  -0.00001  -0.00567  -0.00237  -0.00807  -2.05418
   D274       1.27060  -0.00011   0.00031  -0.00112  -0.00081   1.26979
   D275      -2.10279  -0.00011  -0.00073  -0.00097  -0.00170  -2.10449
   D276       1.61975  -0.00002   0.00195   0.00014   0.00210   1.62184
   D277      -1.75365  -0.00002   0.00091   0.00029   0.00121  -1.75244
   D278       1.64517   0.00005   0.00090   0.00014   0.00105   1.64623
   D279      -1.72822   0.00005  -0.00014   0.00029   0.00016  -1.72806
   D280       0.85645  -0.00001   0.00249   0.00020   0.00271   0.85916
   D281      -2.51695  -0.00001   0.00145   0.00035   0.00182  -2.51512
   D282       0.87070  -0.00004  -0.00224  -0.00162  -0.00387   0.86683
   D283      -2.50269  -0.00004  -0.00328  -0.00147  -0.00476  -2.50746
   D284       1.61501   0.00003   0.00158   0.00076   0.00233   1.61734
   D285      -2.60563   0.00003   0.00128   0.00075   0.00203  -2.60360
   D286       1.63015   0.00002   0.00087   0.00047   0.00133   1.63148
   D287      -2.59048   0.00002   0.00057   0.00046   0.00102  -2.58946
   D288       1.28196   0.00002   0.00092   0.00049   0.00142   1.28338
   D289      -2.93867   0.00002   0.00062   0.00049   0.00111  -2.93756
   D290       1.21198   0.00001   0.00035   0.00007   0.00042   1.21241
   D291      -3.00865   0.00001   0.00005   0.00007   0.00012  -3.00853
   D292       2.00987   0.00002   0.00071   0.00040   0.00110   2.01098
   D293      -2.21076   0.00002   0.00040   0.00039   0.00080  -2.20996
   D294       1.99566   0.00001   0.00038   0.00019   0.00057   1.99623
   D295      -2.22497   0.00001   0.00008   0.00018   0.00026  -2.22471
   D296      -2.32182   0.00001   0.00058   0.00027   0.00085  -2.32098
   D297      -0.25927   0.00001   0.00028   0.00026   0.00054  -0.25873
   D298      -2.31825   0.00001   0.00059   0.00027   0.00086  -2.31739
   D299      -0.25570   0.00001   0.00029   0.00027   0.00055  -0.25514
   D300      -1.93893   0.00002   0.00063   0.00024   0.00087  -1.93806
   D301       0.12363   0.00001   0.00033   0.00023   0.00056   0.12419
   D302      -1.89487   0.00002   0.00070   0.00038   0.00108  -1.89379
   D303       0.16768   0.00002   0.00039   0.00038   0.00077   0.16845
   D304      -2.67315   0.00001   0.00059   0.00027   0.00085  -2.67230
   D305      -0.61060   0.00001   0.00028   0.00027   0.00055  -0.61006
   D306      -2.81875   0.00000   0.00038   0.00015   0.00053  -2.81822
   D307      -0.75620   0.00000   0.00008   0.00015   0.00022  -0.75598
   D308       1.51966   0.00001   0.00047   0.00009   0.00055   1.52021
   D309      -2.70098   0.00001   0.00017   0.00008   0.00024  -2.70073
   D310       2.61979   0.00000   0.00034   0.00014   0.00048   2.62027
   D311      -1.60084   0.00000   0.00004   0.00013   0.00017  -1.60067
   D312       3.00656  -0.00001   0.00046   0.00019   0.00066   3.00722
   D313      -1.21407  -0.00001   0.00016   0.00019   0.00035  -1.21372
   D314      -0.27943  -0.00003  -0.00267  -0.00122  -0.00389  -0.28332
   D315       1.78312  -0.00003  -0.00297  -0.00122  -0.00420   1.77892
   D316      -0.20187  -0.00009  -0.00012  -0.00063  -0.00075  -0.20261
   D317       1.86068  -0.00009  -0.00042  -0.00063  -0.00105   1.85963
   D318       0.18003  -0.00003   0.00074  -0.00003   0.00070   0.18073
   D319       2.24258  -0.00004   0.00044  -0.00004   0.00039   2.24297
   D320       0.34547   0.00003   0.00002   0.00007   0.00010   0.34557
   D321       2.40802   0.00003  -0.00028   0.00007  -0.00020   2.40782
   D322      -0.52800  -0.00001   0.00193   0.00053   0.00248  -0.52552
   D323       1.53455  -0.00001   0.00163   0.00052   0.00217   1.53672
   D324      -0.51245  -0.00004  -0.00336  -0.00156  -0.00493  -0.51738
   D325       1.55010  -0.00004  -0.00366  -0.00156  -0.00524   1.54487
   D326      -0.12923   0.00000   0.00535   0.00051   0.00585  -0.12338
   D327       2.04295  -0.00003   0.00638  -0.00016   0.00622   2.04917
   D328       0.21308  -0.00001   0.00470   0.00029   0.00498   0.21806
   D329       2.38526  -0.00005   0.00573  -0.00038   0.00535   2.39061
   D330       0.57004  -0.00001   0.00446   0.00021   0.00467   0.57471
   D331       2.74222  -0.00004   0.00550  -0.00046   0.00504   2.74726
   D332       0.85655  -0.00001   0.00422   0.00014   0.00436   0.86091
   D333       3.02873  -0.00005   0.00525  -0.00052   0.00473   3.03346
   D334       0.23188  -0.00004   0.00433   0.00006   0.00439   0.23627
   D335       2.40406  -0.00008   0.00536  -0.00060   0.00476   2.40882
   D336       0.57616  -0.00004   0.00512   0.00047   0.00559   0.58175
   D337       2.74834  -0.00008   0.00615  -0.00020   0.00596   2.75430
   D338      -2.52417   0.00003   0.00503   0.00069   0.00572  -2.51845
   D339      -0.35199   0.00000   0.00607   0.00002   0.00608  -0.34590
   D340      -2.10988   0.00001   0.00449   0.00035   0.00484  -2.10505
   D341       0.06230  -0.00002   0.00552  -0.00032   0.00521   0.06750
   D342      -2.06752  -0.00001   0.00498   0.00045   0.00544  -2.06209
   D343       0.10466  -0.00004   0.00602  -0.00021   0.00581   0.11046
   D344      -1.78700  -0.00001   0.00529   0.00045   0.00575  -1.78125
   D345       0.38518  -0.00005   0.00632  -0.00021   0.00612   0.39130
   D346      -1.69577   0.00001   0.00349  -0.00007   0.00342  -1.69235
   D347       0.47641  -0.00002   0.00452  -0.00074   0.00379   0.48020
   D348      -1.37805   0.00001   0.00352  -0.00013   0.00340  -1.37465
   D349       0.79413  -0.00003   0.00455  -0.00079   0.00376   0.79790
   D350       1.59472  -0.00002   0.00597   0.00079   0.00677   1.60149
   D351      -2.51629  -0.00005   0.00700   0.00012   0.00714  -2.50915
   D352       1.96580   0.00000   0.00692   0.00128   0.00821   1.97401
   D353      -2.14521  -0.00004   0.00796   0.00061   0.00858  -2.13663
   D354       2.03337   0.00000   0.00970   0.00246   0.01219   2.04555
   D355      -2.07764  -0.00003   0.01074   0.00179   0.01256  -2.06508
   D356       2.64086   0.00009   0.01169   0.00367   0.01532   2.65618
   D357      -1.47014   0.00006   0.01272   0.00300   0.01569  -1.45446
   D358       2.35253   0.00001   0.00611   0.00096   0.00707   2.35960
   D359      -1.75847  -0.00002   0.00714   0.00030   0.00744  -1.75104
   D360       1.60455   0.00004   0.00034  -0.00139  -0.00105   1.60351
   D361      -2.50645   0.00000   0.00138  -0.00206  -0.00068  -2.50713
   D362       1.65116  -0.00005   0.00320  -0.00071   0.00248   1.65364
   D363      -2.45985  -0.00008   0.00423  -0.00137   0.00285  -2.45700
   D364       2.72236  -0.00006  -0.00029  -0.00185  -0.00218   2.72018
   D365      -1.38864  -0.00010   0.00074  -0.00251  -0.00182  -1.39046
   D366       2.58016   0.00001   0.00700   0.00127   0.00830   2.58846
   D367      -1.53085  -0.00003   0.00804   0.00060   0.00867  -1.52218
   D368       0.02712   0.00000   0.00277   0.00116   0.00393   0.03105
   D369      -2.95969   0.00002   0.00269   0.00233   0.00503  -2.95467
   D370       0.41560   0.00000   0.00222   0.00109   0.00332   0.41892
   D371      -2.57121   0.00002   0.00214   0.00227   0.00441  -2.56679
   D372       0.57781   0.00001   0.00237   0.00133   0.00370   0.58151
   D373      -2.40900   0.00002   0.00229   0.00250   0.00479  -2.40421
   D374       0.86733   0.00000   0.00199   0.00114   0.00314   0.87047
   D375      -2.11948   0.00001   0.00191   0.00232   0.00424  -2.11524
   D376       0.70862   0.00000   0.00197   0.00090   0.00287   0.71149
   D377      -2.27819   0.00001   0.00189   0.00208   0.00397  -2.27422
   D378       1.03046   0.00000   0.00199   0.00100   0.00299   1.03345
   D379      -1.95635   0.00002   0.00191   0.00218   0.00409  -1.95226
   D380      -2.89329   0.00004   0.00315   0.00204   0.00521  -2.88809
   D381       0.40308   0.00006   0.00307   0.00322   0.00630   0.40938
   D382      -2.33654   0.00003   0.00408   0.00246   0.00655  -2.32999
   D383       0.95984   0.00005   0.00400   0.00364   0.00765   0.96749
   D384      -2.00456   0.00001   0.00311   0.00160   0.00471  -1.99985
   D385       1.29182   0.00002   0.00303   0.00278   0.00581   1.29762
   D386      -1.64305  -0.00001   0.00288   0.00129   0.00417  -1.63888
   D387       1.65332   0.00000   0.00280   0.00246   0.00527   1.65859
   D388      -1.81400   0.00002   0.00660   0.00371   0.01029  -1.80371
   D389       1.48237   0.00003   0.00652   0.00489   0.01139   1.49376
   D390      -0.99023  -0.00006   0.00387   0.00128   0.00513  -0.98510
   D391       2.30614  -0.00005   0.00379   0.00245   0.00623   2.31237
   D392       1.77149  -0.00002   0.00233   0.00104   0.00337   1.77486
   D393      -1.21532   0.00000   0.00225   0.00222   0.00447  -1.21085
   D394       2.06910  -0.00001   0.00200   0.00095   0.00294   2.07204
   D395      -0.91771   0.00000   0.00192   0.00212   0.00404  -0.91367
   D396       2.00593  -0.00001   0.00155   0.00080   0.00235   2.00828
   D397      -0.98088   0.00001   0.00147   0.00197   0.00344  -0.97743
   D398       2.18956   0.00000   0.00155   0.00089   0.00244   2.19201
   D399      -0.79725   0.00002   0.00147   0.00207   0.00354  -0.79371
   D400       2.47632  -0.00001   0.00210   0.00093   0.00303   2.47935
   D401      -0.51049   0.00001   0.00202   0.00211   0.00413  -0.50637
   D402      -1.36082   0.00004  -0.00299  -0.00102  -0.00400  -1.36483
   D403       1.93555   0.00005  -0.00307   0.00016  -0.00291   1.93265
   D404      -2.50021  -0.00010  -0.00036  -0.00138  -0.00177  -2.50198
   D405       0.79617  -0.00009  -0.00043  -0.00021  -0.00068   0.79549
   D406      -2.95375  -0.00006   0.00389   0.00090   0.00485  -2.94890
   D407       0.34263  -0.00005   0.00381   0.00208   0.00595   0.34858
   D408       1.84789   0.00001  -0.00323  -0.00159  -0.00479   1.84310
   D409       2.32740   0.00002  -0.00384  -0.00148  -0.00530   2.32210
   D410       2.55094   0.00001  -0.00468  -0.00200  -0.00667   2.54428
   D411       2.80736   0.00000  -0.00536  -0.00241  -0.00775   2.79961
   D412       2.72870   0.00008  -0.00345  -0.00064  -0.00407   2.72462
   D413      -3.07408   0.00006  -0.00466  -0.00127  -0.00592  -3.08000
   D414      -0.80865   0.00000  -0.00463  -0.00210  -0.00672  -0.81537
   D415      -0.42896  -0.00001  -0.00460  -0.00220  -0.00679  -0.43576
   D416      -0.11637   0.00001  -0.00447  -0.00204  -0.00650  -0.12287
   D417       0.19316   0.00000  -0.00444  -0.00210  -0.00653   0.18663
   D418      -0.29449  -0.00002  -0.00469  -0.00249  -0.00718  -0.30166
   D419       0.02924  -0.00003  -0.00449  -0.00263  -0.00711   0.02213
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   D421      -2.22915   0.00000  -0.00476  -0.00215  -0.00690  -2.23606
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   D425       1.49882  -0.00008  -0.01026  -0.00466  -0.01495   1.48387
   D426       2.61181  -0.00010  -0.00731  -0.00459  -0.01191   2.59990
   D427       2.99320  -0.00009  -0.00547  -0.00372  -0.00920   2.98399
   D428      -3.10087   0.00001  -0.00029  -0.00017  -0.00046  -3.10133
   D429       0.01089   0.00002   0.00396   0.00129   0.00525   0.01614
   D430       0.02111   0.00001   0.00087  -0.00001   0.00087   0.02197
   D431       3.13287   0.00002   0.00512   0.00145   0.00657   3.13944
   D432       0.03474  -0.00001   0.00307   0.00046   0.00354   0.03827
   D433       2.12756  -0.00001   0.00288   0.00042   0.00330   2.13086
   D434      -2.07087  -0.00002   0.00279   0.00039   0.00318  -2.06769
   D435      -3.07841  -0.00003  -0.00097  -0.00093  -0.00190  -3.08031
   D436      -0.98558  -0.00002  -0.00117  -0.00097  -0.00214  -0.98772
   D437       1.09917  -0.00003  -0.00126  -0.00100  -0.00225   1.09691
   D438      -2.39262  -0.00001  -0.00350  -0.00093  -0.00443  -2.39705
   D439      -0.30119  -0.00001  -0.00336  -0.00098  -0.00433  -0.30553
   D440       1.80554  -0.00001  -0.00351  -0.00097  -0.00448   1.80105
   D441       0.72056   0.00000   0.00055   0.00045   0.00100   0.72156
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   D443      -1.36446   0.00000   0.00053   0.00042   0.00095  -1.36351
   D444      -0.01258   0.00000   0.00014  -0.00035  -0.00021  -0.01278
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   D446      -3.13301  -0.00001   0.00000  -0.00026  -0.00026  -3.13326
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   D449      -1.76542   0.00000  -0.00067  -0.00029  -0.00097  -1.76639
   D450       0.34128  -0.00001  -0.00080  -0.00027  -0.00106   0.34022
   D451      -0.69854  -0.00001  -0.00048  -0.00051  -0.00098  -0.69952
   D452       1.38711  -0.00001  -0.00058  -0.00055  -0.00113   1.38598
   D453      -2.78937  -0.00001  -0.00070  -0.00052  -0.00122  -2.79060
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   D455      -2.12732   0.00001   0.00061   0.00039   0.00101  -2.12631
   D456      -0.03452   0.00001   0.00068   0.00044   0.00113  -0.03339
   D457      -1.08225   0.00001   0.00050   0.00063   0.00113  -1.08112
   D458       1.00332   0.00001   0.00052   0.00065   0.00117   1.00449
   D459       3.09612   0.00002   0.00059   0.00070   0.00129   3.09741
   D460      -3.06809   0.00000   0.00093   0.00000   0.00093  -3.06716
   D461      -0.03060   0.00001   0.00057   0.00027   0.00084  -0.02976
   D462       0.08759   0.00001   0.00089   0.00000   0.00089   0.08849
   D463       3.12509   0.00002   0.00053   0.00027   0.00081   3.12589
   D464       1.91120   0.00000  -0.00077   0.00002  -0.00075   1.91045
   D465      -2.28939   0.00000  -0.00084   0.00004  -0.00080  -2.29019
   D466      -0.19658   0.00000  -0.00094   0.00012  -0.00081  -0.19739
   D467      -1.13049  -0.00001  -0.00043  -0.00024  -0.00068  -1.13117
   D468       0.95211   0.00000  -0.00051  -0.00022  -0.00073   0.95138
   D469       3.04492  -0.00001  -0.00061  -0.00014  -0.00074   3.04417
   D470      -1.63586   0.00000   0.00008   0.00013   0.00021  -1.63565
   D471       0.46819   0.00001   0.00035   0.00014   0.00049   0.46868
   D472       2.56017   0.00000   0.00028   0.00005   0.00033   2.56050
   D473       1.40620   0.00001  -0.00027   0.00039   0.00012   1.40633
   D474      -2.77293   0.00002   0.00000   0.00040   0.00040  -2.77253
   D475      -0.68094   0.00000  -0.00006   0.00031   0.00024  -0.68070
   D476      -0.00483  -0.00003  -0.00418  -0.00176  -0.00594  -0.01077
   D477       3.13779   0.00002  -0.01240  -0.00219  -0.01456   3.12323
   D478       3.10747   0.00020  -0.00362  -0.00235  -0.00598   3.10150
   D479      -0.03309   0.00025  -0.01184  -0.00277  -0.01459  -0.04768
   D480      -0.05009  -0.00008  -0.00453  -0.00152  -0.00606  -0.05615
   D481       2.05509  -0.00019  -0.00300  -0.00195  -0.00495   2.05015
   D482      -2.15839   0.00005  -0.00614  -0.00064  -0.00678  -2.16518
   D483       3.09052  -0.00013   0.00335  -0.00111   0.00219   3.09270
   D484      -1.08748  -0.00023   0.00488  -0.00154   0.00330  -1.08419
   D485       0.98221   0.00001   0.00175  -0.00023   0.00146   0.98367
   D486       0.30425  -0.00049  -0.01432  -0.01315  -0.02749   0.27676
   D487       2.37550  -0.00009  -0.01449  -0.01074  -0.02533   2.35017
   D488      -1.82162  -0.00006  -0.01294  -0.01192  -0.02496  -1.84658
   D489      -2.83638  -0.00045  -0.02206  -0.01355  -0.03560  -2.87198
   D490      -0.76512  -0.00004  -0.02223  -0.01113  -0.03344  -0.79856
   D491       1.32094  -0.00001  -0.02068  -0.01232  -0.03307   1.28788
         Item               Value     Threshold  Converged?
 Maximum Force            0.000494     0.000450     NO 
 RMS     Force            0.000058     0.000300     YES
 Maximum Displacement     0.071010     0.001800     NO 
 RMS     Displacement     0.005228     0.001200     NO 
 Predicted change in Energy=-2.674826D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:27:36 2016, MaxMem=  2952790016 cpu:         9.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.888075   -0.653557    1.712963
      2          6           0       -2.200489    0.969418   -1.428999
      3          8           0       -2.624082   -0.001811   -2.078388
      4          7           0       -0.946755    1.089803   -0.911442
      5          1           0       -2.841125    1.842792   -1.194631
      6          6           0       -0.551451    2.252811   -0.115407
      7          1           0       -1.410707    2.926822    0.003036
      8          1           0       -0.209374    1.921129    0.878201
      9          1           0        0.274313    2.791391   -0.608745
     10          6           0        0.063626    0.046654   -1.099514
     11          1           0        0.601463   -0.112526   -0.152398
     12          1           0       -0.429381   -0.886291   -1.402701
     13          1           0        0.792077    0.346621   -1.871287
     14          6           0       -1.959722   -4.082941    2.646088
     15          8           0       -2.137214   -3.934120    3.867138
     16          7           0       -2.869294   -3.796833    1.675170
     17          1           0       -1.002089   -4.455645    2.232167
     18          6           0       -4.201348   -3.279887    1.998604
     19          1           0       -4.465290   -2.495037    1.271950
     20          1           0       -4.954921   -4.083055    1.942400
     21          1           0       -4.192250   -2.856941    3.011698
     22          6           0       -2.562421   -3.976309    0.256113
     23          1           0       -3.248241   -4.714360   -0.191318
     24          1           0       -2.683260   -3.017733   -0.275277
     25          1           0       -1.525977   -4.323464    0.142280
     26          6           0        1.511905    0.355120    2.619334
     27          8           0        1.360230    1.369292    3.321017
     28          7           0        1.133504   -0.906150    2.962785
     29          1           0        1.972827    0.399582    1.612825
     30          6           0        1.436110   -2.055406    2.109341
     31          1           0        2.204683   -2.691819    2.579470
     32          1           0        0.526576   -2.659559    1.964836
     33          1           0        1.796310   -1.703591    1.132853
     34          6           0        0.520235   -1.187144    4.263056
     35          1           0        1.284286   -1.496778    4.996617
     36          1           0        0.011237   -0.285076    4.625251
     37          1           0       -0.208607   -2.002656    4.146234
     38          6           0       -4.418124    1.565528    2.767594
     39          8           0       -4.580950    2.349579    1.818799
     40          7           0       -3.369118    1.568319    3.634887
     41          1           0       -5.130473    0.741398    2.981782
     42          6           0       -2.266662    2.525435    3.533971
     43          1           0       -2.412181    3.154553    2.648394
     44          1           0       -2.233000    3.153750    4.440101
     45          1           0       -1.313630    1.977509    3.461071
     46          6           0       -3.296109    0.603714    4.734884
     47          1           0       -4.004662   -0.217242    4.554089
     48          1           0       -2.277880    0.185643    4.779880
     49          1           0       -3.519748    1.089201    5.699121
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.550152   0.000000
     3  O    3.916737   1.242747   0.000000
     4  N    3.288296   1.361693   2.316638   0.000000
     5  H    3.948945   1.108208   2.056865   2.058112   0.000000
     6  C    3.684627   2.468187   3.637638   1.463736   2.564263
     7  H    3.996354   2.550669   3.792294   2.103844   2.157690
     8  H    3.184945   3.192721   4.274334   2.106574   3.350953
     9  H    4.683366   3.180731   4.285151   2.116137   3.308935
    10  C    3.494204   2.467037   2.860825   1.464377   3.416538
    11  H    3.157544   3.263625   3.758436   2.102075   4.094011
    12  H    3.448089   2.565379   2.460807   2.100942   3.647971
    13  H    4.585894   3.088519   3.440122   2.120651   3.987047
    14  C    3.554790   6.495432   6.278350   6.359198   7.116341
    15  O    3.932509   7.217877   7.144884   7.035042   7.712957
    16  N    3.293084   5.727156   5.343362   5.853711   6.327869
    17  H    3.938327   6.653691   6.406901   6.374741   7.402385
    18  C    3.511471   5.814506   5.464010   6.176967   6.187794
    19  H    3.198059   4.942357   4.564097   5.477076   5.247732
    20  H    4.606479   6.669386   6.185152   7.139206   7.030275
    21  H    3.442505   6.190955   6.043169   6.442131   6.450290
    22  C    3.690235   5.237443   4.609808   5.444176   6.003688
    23  H    4.686839   5.910581   5.114560   6.285199   6.645948
    24  H    3.189788   4.178697   3.514327   4.504665   4.949225
    25  H    4.008289   5.562237   4.981354   5.545204   6.445127
    26  C    3.660437   5.527046   6.269161   4.364761   5.975648
    27  O    4.150812   5.949898   6.848960   4.828458   6.186006
    28  N    3.279603   5.824177   6.352221   4.829176   6.374831
    29  H    4.003210   5.195573   5.909124   3.920751   5.756631
    30  C    3.629394   5.907137   6.183809   4.969458   6.663852
    31  H    4.653602   6.991282   7.228331   6.034790   7.763164
    32  H    3.149289   5.667846   5.773901   4.949888   6.449403
    33  H    3.874763   5.448162   5.722587   4.416628   6.284888
    34  C    3.547906   6.667277   7.176744   5.840545   7.089824
    35  H    4.642981   7.714553   8.219852   6.824449   8.154955
    36  H    3.496367   6.566539   7.208600   5.784722   6.821644
    37  H    3.249844   6.624504   6.970210   5.973964   7.088192
    38  C    3.526717   4.783790   5.399878   5.080553   4.273527
    39  O    4.035047   4.256716   4.954436   4.716844   3.516332
    40  N    3.289986   5.231378   5.971758   5.173579   4.866041
    41  H    3.750859   5.300169   5.695584   5.725563   4.888417
    42  C    3.683122   5.201600   6.165492   4.854368   4.812036
    43  H    3.956188   4.630850   5.687707   4.368421   4.083327
    44  H    4.695939   6.262484   7.252669   5.878206   5.817099
    45  H    3.210666   5.071051   6.026657   4.476772   4.901730
    46  C    3.563045   6.271170   6.873059   6.134878   6.074658
    47  H    3.569637   6.360860   6.778065   6.397748   6.216538
    48  H    3.203464   6.258633   6.869559   5.914435   6.225607
    49  H    4.646398   7.250165   7.904566   7.093647   6.967945
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098472   0.000000
     8  H    1.101947   1.794584   0.000000
     9  H    1.102423   1.797751   1.789502   0.000000
    10  C    2.492772   3.418281   2.738529   2.796217   0.000000
    11  H    2.631615   3.648372   2.419781   2.957704   1.100743
    12  H    3.394994   4.180781   3.623882   3.827649   1.097891
    13  H    2.919202   3.875923   3.322899   2.799820   1.102840
    14  C    7.053427   7.511586   6.499077   7.927251   5.931022
    15  O    7.526846   7.907693   6.850858   8.430984   6.734826
    16  N    6.721365   7.080328   6.356526   7.648741   5.574342
    17  H    7.121626   7.722487   6.566953   7.887935   5.701451
    18  C    6.957120   7.091769   6.651445   7.980615   6.233314
    19  H    6.307531   6.351155   6.145761   7.344874   5.709213
    20  H    7.985506   8.090795   7.726769   9.006178   7.175901
    21  H    7.010262   7.088084   6.576098   8.059867   6.591313
    22  C    6.556215   7.003121   6.379937   7.388965   4.991801
    23  H    7.471272   7.861423   7.376198   8.301743   5.870309
    24  H    5.687600   6.085604   5.642958   6.527202   4.197048
    25  H    6.653081   7.252539   6.424170   7.377415   4.813192
    26  C    3.916309   4.690450   2.906325   4.229367   4.002811
    27  O    4.030403   4.594887   2.955593   4.317942   4.792875
    28  N    4.721586   5.470356   3.760627   5.212087   4.307523
    29  H    3.576762   4.519587   2.759851   3.679821   3.335624
    30  C    5.240290   6.112568   4.476176   5.677078   4.074202
    31  H    6.269609   7.160878   5.477342   6.629981   5.061451
    32  H    5.442511   6.229717   4.764987   6.033226   4.114383
    33  H    4.766891   5.744751   4.150447   5.055147   3.324006
    34  C    5.670338   6.229046   4.653056   6.294733   5.521585
    35  H    6.600162   7.194933   5.556479   7.129413   6.405857
    36  H    5.406600   5.805435   4.353894   6.076889   5.734607
    37  H    6.032257   6.550640   5.106479   6.769485   5.638409
    38  C    4.871880   4.305863   4.627077   5.909431   6.111267
    39  O    4.470724   3.698735   4.492101   5.446259   5.949126
    40  N    4.740514   4.344104   4.208060   5.725286   6.042660
    41  H    5.731003   5.242678   5.480332   6.804857   6.642162
    42  C    4.041563   3.655307   3.413317   4.867174   5.748372
    43  H    3.451674   2.837733   3.083388   4.237699   5.462186
    44  H    4.938821   4.518319   4.278031   5.648784   6.753952
    45  H    3.667139   3.587287   2.809587   4.443802   5.140425
    46  C    5.811883   5.598388   5.112487   6.788830   6.755615
    47  H    6.311103   6.109486   5.699912   7.349582   6.970210
    48  H    5.587269   5.575329   4.744864   6.506989   6.330027
    49  H    6.631253   6.345887   5.906941   7.555232   7.755573
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795720   0.000000
    13  H    1.789338   1.797667   0.000000
    14  C    5.491393   5.380819   6.899283   0.000000
    15  O    6.185596   6.322749   7.735309   1.242825   0.000000
    16  N    5.381476   4.888530   6.568958   1.360831   2.315062
    17  H    5.207707   5.126456   6.566516   1.107836   2.057578
    18  C    6.142147   5.614793   7.284360   2.467594   2.860085
    19  H    5.777293   5.101998   6.752397   3.269185   3.771724
    20  H    7.143297   6.472211   8.197209   3.076750   3.415592
    21  H    6.365768   6.126138   7.677882   2.573117   2.472906
    22  C    5.010575   4.104842   5.870793   2.467103   3.636218
    23  H    5.999884   4.905867   6.690291   3.179598   4.279511
    24  H    4.386882   3.300621   5.093535   3.192578   4.277561
    25  H    4.727033   3.924748   5.589054   2.552458   3.794702
    26  C    2.954673   4.635349   4.547955   5.634651   5.768072
    27  O    3.851769   5.532077   5.322469   6.419070   6.376248
    28  N    3.258416   4.636861   5.005423   4.445261   4.547972
    29  H    2.293230   4.064169   3.679132   6.051908   6.383990
    30  C    3.096269   4.145037   4.693604   3.991324   4.403187
    31  H    4.084871   5.104499   5.571069   4.391120   4.696113
    32  H    3.312954   3.924110   4.880927   2.944792   3.512696
    33  H    2.368759   3.471414   3.773157   4.696697   5.284333
    34  C    4.545067   5.752659   6.329020   4.141305   3.842481
    35  H    5.375384   6.652865   7.128008   4.768313   4.350060
    36  H    4.817060   6.073863   6.573717   4.714397   4.301871
    37  H    4.765191   5.664424   6.536898   3.105548   2.743715
    38  C    6.044706   6.269996   7.081748   6.161470   6.054558
    39  O    6.066711   6.171259   6.818944   6.995181   7.046446
    40  N    5.738839   6.328068   7.008996   5.907695   5.643435
    41  H    6.588426   6.631239   7.667120   5.782785   5.621736
    42  C    5.364167   6.275843   6.581787   6.674817   6.469436
    43  H    5.253598   6.055683   6.211221   7.251624   7.197932
    44  H    6.308231   7.328936   7.540867   7.460755   7.111636
    45  H    4.592710   5.713101   5.960523   6.149039   5.982519
    46  C    6.292025   6.936006   7.773085   5.302238   4.763187
    47  H    6.586226   6.979513   8.038165   4.771361   4.215975
    48  H    5.718994   6.541430   7.327249   4.782793   4.222006
    49  H    7.257328   7.993048   8.743817   6.205300   5.522800
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056875   0.000000
    18  C    1.464995   3.416462   0.000000
    19  H    2.098682   4.093869   1.101672   0.000000
    20  H    2.122068   3.980913   1.102775   1.791939   0.000000
    21  H    2.102360   3.652486   1.097874   1.797846   1.796781
    22  C    1.462910   2.563042   2.491457   2.616678   2.928996
    23  H    2.114056   3.314424   2.786016   2.923655   2.804292
    24  H    2.108519   3.343831   2.746606   2.417179   3.348648
    25  H    2.105135   2.158601   3.419444   3.641272   3.880191
    26  C    6.109424   5.441831   6.799987   6.757640   7.872450
    27  O    6.876521   6.379345   7.368500   7.284806   8.456347
    28  N    5.102587   4.206361   5.918185   6.060527   6.942826
    29  H    6.407802   5.727734   7.197760   7.067133   8.258108
    30  C    4.664502   3.423601   5.769969   5.976707   6.707049
    31  H    5.271059   3.676288   6.459138   6.799771   7.321293
    32  H    3.592942   2.373649   4.768564   5.042409   5.663360
    33  H    5.142337   4.075945   6.261480   6.312953   7.203911
    34  C    4.999653   4.138246   5.639207   5.959258   6.614308
    35  H    5.794350   4.650224   6.500748   6.922954   7.412474
    36  H    5.415983   4.913993   5.797761   6.013971   6.803312
    37  H    4.050245   3.210985   4.710161   5.159778   5.631380
    38  C    5.687458   6.943379   4.910843   4.327512   5.733724
    39  O    6.381910   7.700013   5.645114   4.876754   6.444681
    40  N    5.733687   6.622582   5.184122   4.826585   6.108790
    41  H    5.236001   6.679426   4.242716   3.720283   4.938267
    42  C    6.617355   7.213135   6.308892   5.929236   7.309718
    43  H    7.034052   7.750918   6.710094   6.166662   7.703696
    44  H    7.507351   8.018292   7.157303   6.850481   8.125190
    45  H    6.241198   6.556884   6.173972   5.893121   7.231583
    46  C    5.376693   6.092883   4.836221   4.791779   5.702230
    47  H    4.731882   5.689537   3.993618   4.021563   4.761137
    48  H    5.084202   5.446103   4.842016   4.927107   5.782701
    49  H    6.363065   7.007403   5.766050   5.774137   6.551710
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391546   0.000000
    23  H    3.821057   1.102390   0.000000
    24  H    3.620375   1.102654   1.790195   0.000000
    25  H    4.182495   1.098949   1.797298   1.794044   0.000000
    26  C    6.558099   6.398923   7.500558   6.111818   6.103579
    27  O    6.984752   7.304538   8.401507   6.966285   7.130360
    28  N    5.672005   5.514690   6.606854   5.432451   5.167797
    29  H    7.111256   6.446515   7.527741   6.076357   6.058985
    30  C    5.756313   4.807553   5.857150   4.856098   4.217508
    31  H    6.413645   5.456481   6.442230   5.669903   4.745523
    32  H    4.837582   3.767687   4.808373   3.930578   3.209870
    33  H    6.381468   4.993241   6.022097   4.876100   4.345407
    34  C    5.153798   5.773889   6.817925   5.848923   5.568149
    35  H    5.981838   6.589203   7.603374   6.771085   6.281108
    36  H    5.185301   6.272023   7.310409   6.224379   6.226446
    37  H    4.229231   4.956691   5.950384   5.167596   4.811784
    38  C    4.434956   6.361064   7.039942   5.768457   7.066613
    39  O    5.355553   6.821533   7.464310   6.065840   7.528153
    40  N    4.544099   6.542917   7.357072   6.065612   7.092854
    41  H    3.718763   6.023365   6.586096   5.543315   6.834324
    42  C    5.740264   7.287284   8.200970   6.738741   7.678516
    43  H    6.280024   7.522950   8.407304   6.835090   7.936417
    44  H    6.481312   8.273573   9.186289   7.779764   8.653316
    45  H    5.644492   6.875986   7.865353   6.386597   7.124726
    46  C    3.968446   6.447813   7.249252   6.212259   6.964370
    47  H    3.063033   5.889248   6.581423   5.736866   6.516824
    48  H    4.006070   6.153639   7.047300   5.998380   6.511892
    49  H    4.821466   7.496813   8.273591   7.297948   8.009404
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242541   0.000000
    28  N    1.360863   2.314600   0.000000
    29  H    1.107920   2.057555   2.057132   0.000000
    30  C    2.465051   3.633521   1.463122   2.561554   0.000000
    31  H    3.124959   4.213741   2.117302   3.247294   1.103063
    32  H    3.238446   4.331956   2.106824   3.402043   1.101424
    33  H    2.555152   3.797478   2.103301   2.164455   1.098657
    34  C    2.462480   2.851034   1.464841   3.413422   2.496236
    35  H    3.022054   3.320807   2.123216   3.939583   2.944737
    36  H    2.585645   2.501548   2.099764   3.659413   3.390300
    37  H    3.294039   3.809497   2.098604   4.116742   2.618551
    38  C    6.054115   5.808112   6.080121   6.598271   6.914949
    39  O    6.460774   6.206065   6.675587   6.840826   7.462795
    40  N    5.131040   4.743928   5.181536   5.830185   6.208775
    41  H    6.663465   6.529821   6.477050   7.242082   7.190499
    42  C    4.452459   3.812658   4.864479   5.116964   6.060049
    43  H    4.820386   4.227371   5.400003   5.281152   6.499508
    44  H    5.017154   4.165086   5.477097   5.767834   6.784550
    45  H    3.365162   2.745737   3.814740   4.087379   5.064844
    46  C    5.258740   4.926116   5.004147   6.127855   6.029783
    47  H    5.873958   5.728841   5.422877   6.690432   6.241605
    48  H    4.365679   4.094527   4.016390   5.305141   5.093899
    49  H    5.944871   5.435809   5.755147   6.880536   6.880088
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787418   0.000000
    33  H    1.798906   1.793960   0.000000
    34  C    2.817068   2.729443   3.419540   0.000000
    35  H    2.849184   3.334348   3.903025   1.103521   0.000000
    36  H    3.845626   3.602992   4.170792   1.097265   1.796326
    37  H    2.958659   2.393849   3.631748   1.099962   1.791031
    38  C    7.875403   6.553308   7.209626   5.848162   6.845710
    39  O    8.487587   7.155390   7.587368   6.671198   7.700258
    40  N    7.094359   5.986689   6.606603   4.807726   5.736139
    41  H    8.108844   6.678539   7.574750   6.106671   7.086475
    42  C    6.937127   6.094959   6.337016   4.699106   5.561183
    43  H    7.449849   6.550377   6.603774   5.482384   6.388498
    44  H    7.571371   6.894690   7.125095   5.143443   5.857339
    45  H    5.912560   5.208404   5.351899   3.744498   4.601928
    46  C    6.764988   5.738905   6.650640   4.241966   5.045849
    47  H    6.969837   5.762054   6.896765   4.636820   5.459488
    48  H    5.763243   4.887190   5.785243   3.159288   3.945446
    49  H    7.536408   6.661143   7.543936   4.854430   5.500868
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796627   0.000000
    38  C    5.147316   5.687937   0.000000
    39  O    5.992141   6.593655   1.241555   0.000000
    40  N    3.980288   4.796057   1.361109   2.318853   0.000000
    41  H    5.494708   5.754177   1.110184   2.059309   2.052490
    42  C    3.778715   5.011393   2.477407   2.885943   1.463443
    43  H    4.648867   5.804832   2.561839   2.457594   2.098817
    44  H    4.110524   5.547346   3.177184   3.609817   2.110149
    45  H    2.868776   4.187151   3.207572   3.675713   2.103016
    46  C    3.426442   4.083178   2.460535   3.633512   1.464850
    47  H    4.017102   4.214746   2.557495   3.795061   2.106437
    48  H    2.342124   3.077670   3.245616   4.330675   2.100858
    49  H    3.938235   4.789018   3.102872   4.215637   2.124455
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418935   0.000000
    43  H    3.650148   1.095998   0.000000
    44  H    4.042461   1.103170   1.800644   0.000000
    45  H    4.040542   1.101729   1.803522   1.785296   0.000000
    46  C    2.541104   2.488969   3.411971   2.778450   2.727661
    47  H    2.158376   3.403463   4.187681   3.809904   3.640504
    48  H    3.417500   2.650857   3.657280   2.987829   2.424834
    49  H    3.177945   2.884592   3.846988   2.739200   3.265718
                   46         47         48         49
    46  C    0.000000
    47  H    1.099410   0.000000
    48  H    1.101634   1.787477   0.000000
    49  H    1.102482   1.803617   1.789876   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2164354      0.1874309      0.1835348
 Leave Link  202 at Mon Nov 14 00:27:36 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1845.6947132528 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1834827323 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1845.5112305205 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4049
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     223
 GePol: Fraction of low-weight points (<1% of avg)   =       5.51%
 GePol: Cavity surface area                          =    468.290 Ang**2
 GePol: Cavity volume                                =    458.675 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040090723 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1845.5072214482 Hartrees.
 Leave Link  301 at Mon Nov 14 00:27:36 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37514.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:27:37 2016, MaxMem=  2952790016 cpu:        14.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:27:38 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000265    0.001420    0.000943
         Rot=    1.000000   -0.000185    0.000087   -0.000197 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50862443261    
 Leave Link  401 at Mon Nov 14 00:27:44 2016, MaxMem=  2952790016 cpu:        78.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49183203.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.77D-15 for   1420.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.02D-15 for   2659   2316.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.08D-14 for   2151.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.41D-10 for   2864   2269.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.18D-14 for   2151.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.28D-14 for   2421    161.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   1823.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.08D-15 for   2919    591.
 E= -1013.45011033758    
 DIIS: error= 4.51D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45011033758     IErMin= 1 ErrMin= 4.51D-04
 ErrMax= 4.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-04 BMatP= 2.01D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.51D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=7.49D-05 MaxDP=3.79D-03              OVMax= 5.02D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.49D-05    CP:  1.00D+00
 E= -1013.45047449820     Delta-E=       -0.000364160616 Rises=F Damp=F
 DIIS: error= 4.41D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45047449820     IErMin= 2 ErrMin= 4.41D-05
 ErrMax= 4.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-06 BMatP= 2.01D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-01 0.984D+00
 Coeff:      0.155D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.40D-05 MaxDP=8.81D-04 DE=-3.64D-04 OVMax= 1.22D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.38D-05    CP:  1.00D+00  9.68D-01
 E= -1013.45046438556     Delta-E=        0.000010112638 Rises=F Damp=F
 DIIS: error= 1.35D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45047449820     IErMin= 2 ErrMin= 4.41D-05
 ErrMax= 1.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-05 BMatP= 2.52D-06
 IDIUse=3 WtCom= 4.62D-01 WtEn= 5.38D-01
 Coeff-Com:  0.172D-02 0.719D+00 0.279D+00
 Coeff-En:   0.000D+00 0.798D+00 0.202D+00
 Coeff:      0.793D-03 0.761D+00 0.238D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.69D-06 MaxDP=5.98D-04 DE= 1.01D-05 OVMax= 9.26D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.57D-06    CP:  1.00D+00  9.81D-01  4.31D-01
 E= -1013.45047665563     Delta-E=       -0.000012270073 Rises=F Damp=F
 DIIS: error= 9.70D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45047665563     IErMin= 4 ErrMin= 9.70D-06
 ErrMax= 9.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-07 BMatP= 2.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.237D-04 0.250D+00 0.490D-01 0.701D+00
 Coeff:     -0.237D-04 0.250D+00 0.490D-01 0.701D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.64D-06 MaxDP=9.05D-05 DE=-1.23D-05 OVMax= 8.27D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.37D-07    CP:  1.00D+00  9.85D-01  3.59D-01  7.66D-01
 E= -1013.45047675700     Delta-E=       -0.000000101362 Rises=F Damp=F
 DIIS: error= 7.15D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45047675700     IErMin= 5 ErrMin= 7.15D-06
 ErrMax= 7.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-08 BMatP= 1.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.367D-04 0.135D+00 0.207D-01 0.457D+00 0.386D+00
 Coeff:     -0.367D-04 0.135D+00 0.207D-01 0.457D+00 0.386D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.33D-07 MaxDP=2.58D-05 DE=-1.01D-07 OVMax= 3.68D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.03D-07    CP:  1.00D+00  9.85D-01  3.53D-01  7.80D-01  6.85D-01
 E= -1013.45047678860     Delta-E=       -0.000000031601 Rises=F Damp=F
 DIIS: error= 8.57D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45047678860     IErMin= 6 ErrMin= 8.57D-07
 ErrMax= 8.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-10 BMatP= 3.58D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.254D-04 0.377D-01 0.497D-02 0.140D+00 0.162D+00 0.656D+00
 Coeff:     -0.254D-04 0.377D-01 0.497D-02 0.140D+00 0.162D+00 0.656D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.73D-08 MaxDP=4.54D-06 DE=-3.16D-08 OVMax= 3.90D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.55D-08    CP:  1.00D+00  9.85D-01  3.54D-01  7.84D-01  6.91D-01
                    CP:  8.60D-01
 E= -1013.45047678901     Delta-E=       -0.000000000413 Rises=F Damp=F
 DIIS: error= 3.18D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45047678901     IErMin= 7 ErrMin= 3.18D-07
 ErrMax= 3.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-10 BMatP= 5.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-04 0.780D-02 0.830D-03 0.332D-01 0.530D-01 0.377D+00
 Coeff-Com:  0.528D+00
 Coeff:     -0.119D-04 0.780D-02 0.830D-03 0.332D-01 0.530D-01 0.377D+00
 Coeff:      0.528D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.53D-08 MaxDP=1.86D-06 DE=-4.13D-10 OVMax= 1.76D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.31D-08    CP:  1.00D+00  9.85D-01  3.54D-01  7.85D-01  6.89D-01
                    CP:  8.74D-01  6.96D-01
 E= -1013.45047678917     Delta-E=       -0.000000000156 Rises=F Damp=F
 DIIS: error= 7.13D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45047678917     IErMin= 8 ErrMin= 7.13D-08
 ErrMax= 7.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-12 BMatP= 1.33D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.541D-05 0.222D-02 0.239D-03 0.103D-01 0.189D-01 0.159D+00
 Coeff-Com:  0.271D+00 0.538D+00
 Coeff:     -0.541D-05 0.222D-02 0.239D-03 0.103D-01 0.189D-01 0.159D+00
 Coeff:      0.271D+00 0.538D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.08D-08 MaxDP=5.59D-07 DE=-1.56D-10 OVMax= 9.32D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.34D-09    CP:  1.00D+00  9.85D-01  3.54D-01  7.85D-01  6.91D-01
                    CP:  8.77D-01  6.92D-01  7.80D-01
 E= -1013.45047678916     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 8.10D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45047678917     IErMin= 8 ErrMin= 7.13D-08
 ErrMax= 8.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.83D-12 BMatP= 5.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.243D-05 0.476D-03 0.602D-04 0.268D-02 0.647D-02 0.659D-01
 Coeff-Com:  0.133D+00 0.446D+00 0.345D+00
 Coeff:     -0.243D-05 0.476D-03 0.602D-04 0.268D-02 0.647D-02 0.659D-01
 Coeff:      0.133D+00 0.446D+00 0.345D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.88D-09 MaxDP=3.41D-07 DE= 3.18D-12 OVMax= 5.43D-07

 Error on total polarization charges =  0.04254
 SCF Done:  E(RB97D) =  -1013.45047679     A.U. after    9 cycles
            NFock=  9  Conv=0.59D-08     -V/T= 2.0213
 KE= 9.923568991704D+02 PE=-6.022322355992D+03 EE= 2.171007758585D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:29:36 2016, MaxMem=  2952790016 cpu:      1279.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37514.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     358
 Leave Link  701 at Mon Nov 14 00:29:44 2016, MaxMem=  2952790016 cpu:        98.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:29:44 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:30:21 2016, MaxMem=  2952790016 cpu:       441.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.60425889D+00-3.03779411D+00 3.48124698D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000737087    0.001257948   -0.000210766
      2        6           0.000091517   -0.000163595   -0.000128252
      3        8           0.000032642    0.000083729    0.000068054
      4        7           0.000033552   -0.000037303   -0.000050933
      5        1          -0.000014669    0.000047835    0.000111617
      6        6           0.000000998   -0.000072935   -0.000014856
      7        1           0.000047585    0.000031464   -0.000021487
      8        1           0.000036982    0.000024267    0.000022554
      9        1           0.000058408   -0.000028128    0.000032274
     10        6           0.000118687   -0.000116340   -0.000024249
     11        1           0.000043454   -0.000062636    0.000053582
     12        1           0.000017768    0.000002905    0.000042813
     13        1           0.000028901    0.000011800    0.000037492
     14        6          -0.000120998    0.000018865   -0.000033281
     15        8          -0.000020077   -0.000005826   -0.000012168
     16        7          -0.000057617    0.000017402    0.000032139
     17        1          -0.000012724   -0.000011340   -0.000011119
     18        6          -0.000043440    0.000031578   -0.000016791
     19        1          -0.000053083    0.000030077    0.000067725
     20        1          -0.000005982    0.000007328   -0.000057665
     21        1          -0.000048345    0.000012356   -0.000044999
     22        6          -0.000062697    0.000005886    0.000032259
     23        1          -0.000007966    0.000036471   -0.000060736
     24        1          -0.000036745    0.000028854   -0.000018913
     25        1          -0.000009133   -0.000012627   -0.000010216
     26        6           0.000018194   -0.000073823   -0.000008145
     27        8          -0.000044630    0.000022752    0.000043089
     28        7           0.000014447   -0.000053069   -0.000001784
     29        1           0.000004797   -0.000015983    0.000035779
     30        6          -0.000044337   -0.000100156   -0.000047180
     31        1          -0.000002339    0.000015606    0.000050252
     32        1          -0.000014462   -0.000027678   -0.000012249
     33        1           0.000005438   -0.000017369    0.000033986
     34        6          -0.000027367   -0.000049298    0.000043637
     35        1          -0.000037152   -0.000015299    0.000022122
     36        1          -0.000059540   -0.000019749   -0.000018575
     37        1          -0.000018458   -0.000021519    0.000021110
     38        6           0.000077093   -0.000357959    0.000022986
     39        8          -0.000024918    0.000057067   -0.000606421
     40        7          -0.000600078   -0.000437776    0.001199913
     41        1          -0.000381513    0.000519061   -0.000316354
     42        6          -0.000549689   -0.000727265    0.000941743
     43        1           0.000300426    0.000014854   -0.000232201
     44        1          -0.000102253    0.000375298   -0.000363554
     45        1           0.000036858    0.000250802   -0.000415503
     46        6           0.001269117   -0.001128879   -0.000970018
     47        1          -0.000534135    0.000506349    0.000549043
     48        1           0.000071946    0.000086461    0.000210209
     49        1          -0.000111554    0.000059537    0.000034037
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001269117 RMS     0.000292221
 Leave Link  716 at Mon Nov 14 00:30:22 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000490139 RMS     0.000066217
 Search for a local minimum.
 Step number   5 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .66217D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    1    2    3    4    5
 DE= -5.44D-05 DEPred=-2.67D-05 R= 2.03D+00
 TightC=F SS=  1.41D+00  RLast= 1.23D-01 DXNew= 6.7748D-01 3.6773D-01
 Trust test= 2.03D+00 RLast= 1.23D-01 DXMaxT set to 4.03D-01
 ITU=  1  1  1  1  0
     Eigenvalues ---    0.00170   0.00343   0.00371   0.00376   0.00386
     Eigenvalues ---    0.00536   0.00685   0.00757   0.00771   0.00820
     Eigenvalues ---    0.00885   0.00907   0.00995   0.01022   0.01028
     Eigenvalues ---    0.01056   0.01199   0.01227   0.01353   0.01384
     Eigenvalues ---    0.01394   0.01406   0.01514   0.01534   0.01537
     Eigenvalues ---    0.01604   0.01768   0.01776   0.01858   0.01888
     Eigenvalues ---    0.01939   0.01975   0.02053   0.02098   0.02114
     Eigenvalues ---    0.02143   0.02268   0.02424   0.02830   0.02911
     Eigenvalues ---    0.03220   0.03623   0.03886   0.04174   0.04264
     Eigenvalues ---    0.04650   0.05042   0.05272   0.05678   0.05733
     Eigenvalues ---    0.06069   0.06093   0.06242   0.06651   0.07045
     Eigenvalues ---    0.07672   0.07751   0.07786   0.07962   0.08012
     Eigenvalues ---    0.08041   0.08168   0.08440   0.08496   0.08617
     Eigenvalues ---    0.08638   0.08716   0.08783   0.09032   0.09156
     Eigenvalues ---    0.09354   0.09730   0.09851   0.09969   0.10024
     Eigenvalues ---    0.10080   0.10109   0.10338   0.10528   0.10532
     Eigenvalues ---    0.10614   0.10731   0.10977   0.11330   0.11338
     Eigenvalues ---    0.11581   0.11792   0.11998   0.13299   0.13442
     Eigenvalues ---    0.14047   0.14541   0.14707   0.15319   0.15685
     Eigenvalues ---    0.16450   0.17742   0.22175   0.23226   0.23752
     Eigenvalues ---    0.24028   0.24660   0.25069   0.25644   0.26505
     Eigenvalues ---    0.26889   0.27565   0.28009   0.29247   0.29801
     Eigenvalues ---    0.29961   0.30108   0.32726   0.32817   0.32825
     Eigenvalues ---    0.32829   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33391   0.33416   0.33425   0.33457   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33831   0.33875   0.33915
     Eigenvalues ---    0.33942   0.33998   0.34121   0.37077   0.39530
     Eigenvalues ---    0.40758   0.42307   0.85943   0.85987   0.86095
     Eigenvalues ---    0.87386
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     5    4    3    2    1
 RFO step:  Lambda=-1.18128850D-05.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.21D-04 SmlDif=  1.00D-05
 RMS Error=  0.3185176252D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    3.67318   -4.01305    1.50701   -0.12963   -0.03752
 Iteration  1 RMS(Cart)=  0.00932218 RMS(Int)=  0.00023201
 Iteration  2 RMS(Cart)=  0.00023492 RMS(Int)=  0.00005302
 Iteration  3 RMS(Cart)=  0.00000009 RMS(Int)=  0.00005302
 ITry= 1 IFail=0 DXMaxC= 1.33D-01 DCOld= 1.00D+10 DXMaxT= 4.03D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.70882  -0.00007   0.01082  -0.00261   0.00821   6.71703
    R2        6.21398  -0.00003   0.00048  -0.00002   0.00047   6.21445
    R3        6.96294  -0.00002   0.00907   0.00184   0.01090   6.97384
    R4        6.01867   0.00003   0.00854   0.00195   0.01051   6.02918
    R5        6.60309  -0.00001  -0.00417  -0.00039  -0.00457   6.59852
    R6        5.96689   0.00000  -0.00344  -0.00008  -0.00352   5.96337
    R7        6.71758   0.00001   0.00089  -0.00032   0.00058   6.71815
    R8        6.22303   0.00000   0.00086   0.00015   0.00100   6.22403
    R9        6.63572   0.00001   0.00237   0.00067   0.00304   6.63876
   R10        6.04346   0.00002   0.00060   0.00009   0.00069   6.04414
   R11        6.97353  -0.00001   0.00094   0.00014   0.00108   6.97461
   R12        6.02783   0.00000  -0.00049  -0.00031  -0.00081   6.02702
   R13        6.91722  -0.00004  -0.00231  -0.00041  -0.00273   6.91450
   R14        6.19755  -0.00001  -0.00202   0.00016  -0.00187   6.19568
   R15        6.85856   0.00003  -0.00212   0.00058  -0.00154   6.85702
   R16        5.95129   0.00002  -0.00043   0.00043   0.00000   5.95130
   R17        6.70457  -0.00002  -0.00204  -0.00031  -0.00235   6.70222
   R18        6.66453   0.00013  -0.00697   0.00096  -0.00596   6.65857
   R19        6.21717  -0.00003  -0.00137   0.00164   0.00028   6.21746
   R20        6.96009  -0.00031  -0.01319  -0.00253  -0.01569   6.94440
   R21        6.06728  -0.00001  -0.00399  -0.00134  -0.00533   6.06195
   R22        6.73318   0.00007   0.03096  -0.00143   0.02907   6.76225
   R23        6.05367   0.00013  -0.01714  -0.01899  -0.03589   6.01778
   R24        2.34845  -0.00009  -0.00012   0.00006  -0.00006   2.34839
   R25        2.57323   0.00000  -0.00043   0.00003  -0.00042   2.57281
   R26        2.09421   0.00008   0.00062  -0.00015   0.00047   2.09468
   R27        2.76606   0.00000  -0.00027  -0.00003  -0.00029   2.76577
   R28        2.76727   0.00003  -0.00003   0.00002  -0.00002   2.76725
   R29        2.07581   0.00000  -0.00007   0.00009   0.00002   2.07583
   R30        2.08238   0.00002  -0.00005   0.00005   0.00001   2.08239
   R31        2.08328   0.00000   0.00009  -0.00002   0.00007   2.08334
   R32        2.08010   0.00002  -0.00031  -0.00006  -0.00036   2.07974
   R33        2.07471   0.00000  -0.00005  -0.00001  -0.00006   2.07466
   R34        2.08406  -0.00001   0.00004  -0.00001   0.00003   2.08409
   R35        2.34860   0.00000  -0.00001   0.00002   0.00002   2.34862
   R36        2.57160   0.00000  -0.00004   0.00001  -0.00002   2.57158
   R37        2.09351   0.00001   0.00006  -0.00001   0.00005   2.09356
   R38        2.76844   0.00000   0.00022  -0.00008   0.00015   2.76858
   R39        2.76450   0.00002   0.00025  -0.00007   0.00023   2.76473
   R40        2.08186  -0.00002  -0.00005   0.00001  -0.00005   2.08181
   R41        2.08394   0.00000  -0.00002   0.00002   0.00000   2.08394
   R42        2.07468  -0.00001   0.00009  -0.00004   0.00004   2.07473
   R43        2.08321   0.00000  -0.00001  -0.00001  -0.00002   2.08319
   R44        2.08371   0.00003  -0.00006   0.00004  -0.00006   2.08366
   R45        2.07671   0.00000  -0.00004   0.00003  -0.00001   2.07671
   R46        2.34806   0.00005   0.00001  -0.00003  -0.00002   2.34805
   R47        2.57166   0.00001   0.00009   0.00000   0.00009   2.57174
   R48        2.09367   0.00000   0.00004  -0.00003   0.00001   2.09368
   R49        2.76490   0.00000   0.00007   0.00000   0.00008   2.76498
   R50        2.76815   0.00003   0.00014  -0.00006   0.00008   2.76823
   R51        2.08449   0.00000   0.00000   0.00001   0.00001   2.08450
   R52        2.08139  -0.00002   0.00007   0.00003   0.00012   2.08151
   R53        2.07616  -0.00001  -0.00010   0.00000  -0.00010   2.07606
   R54        2.08535  -0.00001  -0.00003   0.00001  -0.00003   2.08533
   R55        2.07353   0.00000   0.00004   0.00005   0.00009   2.07362
   R56        2.07863   0.00000  -0.00002   0.00000  -0.00002   2.07860
   R57        2.34620   0.00048   0.00004   0.00006   0.00010   2.34630
   R58        2.57212   0.00045   0.00172  -0.00047   0.00130   2.57342
   R59        2.09794  -0.00019  -0.00045  -0.00021  -0.00066   2.09729
   R60        2.76551   0.00011  -0.00052   0.00045  -0.00009   2.76541
   R61        2.76817  -0.00019  -0.00114  -0.00112  -0.00225   2.76592
   R62        2.07114   0.00016   0.00049   0.00002   0.00051   2.07164
   R63        2.08469  -0.00009  -0.00006   0.00000  -0.00006   2.08463
   R64        2.08197  -0.00003   0.00019  -0.00007   0.00013   2.08210
   R65        2.07758  -0.00014  -0.00023  -0.00013  -0.00036   2.07722
   R66        2.08179  -0.00008   0.00032  -0.00019   0.00064   2.08243
   R67        2.08339   0.00009   0.00083  -0.00039   0.00044   2.08383
    A1        0.69534   0.00000  -0.00113  -0.00002  -0.00115   0.69419
    A2        0.98226   0.00001  -0.00150  -0.00006  -0.00156   0.98071
    A3        0.71543   0.00001  -0.00051   0.00017  -0.00034   0.71509
    A4        1.01009   0.00001  -0.00052   0.00016  -0.00036   1.00973
    A5        2.30712  -0.00001  -0.00107  -0.00027  -0.00134   2.30578
    A6        1.98229  -0.00001  -0.00063  -0.00024  -0.00088   1.98141
    A7        1.93472  -0.00001   0.00012  -0.00015  -0.00003   1.93469
    A8        1.64113   0.00000   0.00064  -0.00004   0.00060   1.64173
    A9        1.61697  -0.00001  -0.00086  -0.00025  -0.00113   1.61584
   A10        1.33383  -0.00002  -0.00076  -0.00024  -0.00100   1.33283
   A11        1.74661   0.00000  -0.00104   0.00007  -0.00098   1.74563
   A12        2.04155   0.00000  -0.00132   0.00001  -0.00132   2.04023
   A13        1.93246   0.00000  -0.00191  -0.00010  -0.00202   1.93044
   A14        2.01468  -0.00001  -0.00189  -0.00022  -0.00212   2.01256
   A15        2.44123   0.00001  -0.00086   0.00007  -0.00080   2.44043
   A16        1.48456  -0.00004   0.00522   0.00113   0.00636   1.49093
   A17        1.74026   0.00009   0.00341   0.00055   0.00395   1.74421
   A18        1.60475   0.00003  -0.00145  -0.00030  -0.00174   1.60301
   A19        1.69409  -0.00004  -0.00100   0.00011  -0.00091   1.69318
   A20        2.15859   0.00006   0.00220   0.00062   0.00280   2.16139
   A21        2.37004   0.00004   0.00644   0.00158   0.00800   2.37804
   A22        0.66219   0.00001  -0.00059  -0.00007  -0.00066   0.66152
   A23        0.66318   0.00001   0.00013  -0.00002   0.00011   0.66329
   A24        2.38436  -0.00001  -0.00078  -0.00023  -0.00101   2.38335
   A25        2.19222  -0.00001  -0.00062  -0.00014  -0.00076   2.19145
   A26        2.27843  -0.00001  -0.00033  -0.00001  -0.00035   2.27808
   A27        2.01076   0.00000   0.00018   0.00012   0.00030   2.01107
   A28        1.78709  -0.00001  -0.00061  -0.00013  -0.00075   1.78633
   A29        1.53763  -0.00002  -0.00070  -0.00013  -0.00084   1.53679
   A30        1.35475   0.00000  -0.00036  -0.00009  -0.00046   1.35429
   A31        1.65213   0.00000  -0.00050  -0.00015  -0.00065   1.65148
   A32        1.60055  -0.00001  -0.00096  -0.00023  -0.00119   1.59936
   A33        1.75386  -0.00002  -0.00091  -0.00032  -0.00123   1.75264
   A34        2.04774   0.00001  -0.00016  -0.00010  -0.00026   2.04748
   A35        1.68146  -0.00002   0.00576   0.00152   0.00727   1.68873
   A36        1.81012   0.00011   0.00348   0.00083   0.00428   1.81441
   A37        1.53721   0.00005  -0.00051   0.00000  -0.00051   1.53670
   A38        1.51964  -0.00004  -0.00031   0.00030  -0.00003   1.51960
   A39        2.21798   0.00006  -0.00007   0.00041   0.00029   2.21827
   A40        2.29166   0.00003   0.00727   0.00179   0.00910   2.30076
   A41        0.70735   0.00000  -0.00039  -0.00007  -0.00046   0.70688
   A42        0.77515   0.00000  -0.00043  -0.00011  -0.00054   0.77461
   A43        2.68719   0.00000  -0.00061  -0.00021  -0.00082   2.68636
   A44        2.59691  -0.00001  -0.00124  -0.00026  -0.00151   2.59540
   A45        2.62457  -0.00001  -0.00104  -0.00015  -0.00119   2.62338
   A46        2.31597   0.00000  -0.00070  -0.00006  -0.00075   2.31521
   A47        2.19029  -0.00001  -0.00122  -0.00024  -0.00148   2.18881
   A48        1.94524  -0.00002  -0.00141  -0.00027  -0.00169   1.94355
   A49        1.12471   0.00000   0.00028   0.00004   0.00032   1.12503
   A50        1.48633   0.00000   0.00025   0.00002   0.00027   1.48660
   A51        1.59741   0.00000  -0.00036  -0.00012  -0.00049   1.59692
   A52        1.83794  -0.00001  -0.00037  -0.00023  -0.00060   1.83735
   A53        1.80190   0.00001   0.00082   0.00011   0.00093   1.80283
   A54        1.48299   0.00001   0.00648   0.00166   0.00814   1.49113
   A55        1.49119   0.00012   0.00400   0.00099   0.00496   1.49615
   A56        1.16125   0.00005   0.00057   0.00023   0.00082   1.16207
   A57        1.11395  -0.00004   0.00046   0.00046   0.00089   1.11485
   A58        1.86072   0.00005  -0.00035   0.00035  -0.00005   1.86067
   A59        1.88870   0.00003   0.00794   0.00191   0.00990   1.89860
   A60        0.84014   0.00001   0.00032   0.00016   0.00048   0.84063
   A61        0.78283   0.00001   0.00051   0.00019   0.00070   0.78353
   A62        2.60469   0.00000   0.00185   0.00034   0.00218   2.60688
   A63        2.75357   0.00001   0.00064   0.00020   0.00082   2.75439
   A64        2.59460   0.00000  -0.00161  -0.00024  -0.00186   2.59274
   A65        2.37566   0.00001   0.00009   0.00011   0.00019   2.37584
   A66        2.17388  -0.00001  -0.00068  -0.00005  -0.00073   2.17314
   A67        0.86658   0.00000   0.00140   0.00028   0.00168   0.86826
   A68        1.24141   0.00001   0.00154   0.00031   0.00184   1.24326
   A69        1.42843   0.00000   0.00136   0.00027   0.00162   1.43005
   A70        1.70294   0.00000   0.00150   0.00021   0.00171   1.70465
   A71        1.52296   0.00001   0.00169   0.00029   0.00197   1.52494
   A72        1.51861   0.00002   0.00483   0.00121   0.00604   1.52465
   A73        1.41460   0.00011   0.00250   0.00066   0.00312   1.41772
   A74        1.03098   0.00005   0.00025   0.00012   0.00037   1.03135
   A75        0.90960  -0.00004   0.00012   0.00034   0.00044   0.91004
   A76        1.71664   0.00002  -0.00222  -0.00013  -0.00241   1.71423
   A77        1.67427   0.00001   0.00715   0.00163   0.00886   1.68313
   A78        1.99969  -0.00001  -0.00072  -0.00022  -0.00094   1.99875
   A79        1.92673  -0.00001  -0.00036  -0.00010  -0.00047   1.92626
   A80        2.19360   0.00000  -0.00006  -0.00002  -0.00009   2.19351
   A81        2.04262   0.00001   0.00072   0.00018   0.00090   2.04352
   A82        1.53553  -0.00001  -0.00025  -0.00005  -0.00031   1.53522
   A83        1.35519  -0.00001  -0.00038  -0.00007  -0.00045   1.35474
   A84        1.18669  -0.00001  -0.00071  -0.00012  -0.00083   1.18586
   A85        1.37715  -0.00001  -0.00101  -0.00021  -0.00122   1.37593
   A86        1.21720  -0.00001  -0.00139  -0.00027  -0.00167   1.21553
   A87        1.33230  -0.00002  -0.00125  -0.00036  -0.00161   1.33069
   A88        1.80238   0.00000  -0.00084  -0.00020  -0.00104   1.80134
   A89        2.11217  -0.00001   0.00601   0.00155   0.00756   2.11973
   A90        2.19729   0.00012   0.00366   0.00092   0.00454   2.20184
   A91        1.85710   0.00006   0.00045   0.00024   0.00069   1.85779
   A92        1.74578  -0.00003   0.00040   0.00050   0.00089   1.74666
   A93        2.55471   0.00004  -0.00153   0.00011  -0.00149   2.55322
   A94        2.47520   0.00000   0.00612   0.00143   0.00762   2.48283
   A95        1.91375   0.00000   0.00000  -0.00007  -0.00007   1.91367
   A96        1.97327   0.00000   0.00043   0.00006   0.00049   1.97376
   A97        2.34007   0.00000   0.00057   0.00009   0.00066   2.34073
   A98        2.28178   0.00001   0.00133   0.00028   0.00161   2.28339
   A99        1.63598   0.00001   0.00062   0.00014   0.00076   1.63674
   A100       1.52610   0.00000   0.00038   0.00010   0.00047   1.52657
   A101       0.88502  -0.00001  -0.00106  -0.00017  -0.00124   0.88378
   A102       1.06091  -0.00001  -0.00114  -0.00022  -0.00136   1.05954
   A103       0.93796  -0.00001  -0.00114  -0.00022  -0.00136   0.93660
   A104       1.10612  -0.00002  -0.00073  -0.00025  -0.00098   1.10514
   A105       1.48589  -0.00001  -0.00098  -0.00021  -0.00119   1.48470
   A106       2.25812   0.00001   0.00604   0.00155   0.00758   2.26570
   A107       2.19484   0.00011   0.00278   0.00081   0.00355   2.19839
   A108       1.79798   0.00005   0.00084   0.00035   0.00120   1.79918
   A109       1.61098  -0.00003   0.00039   0.00050   0.00088   1.61186
   A110       2.42212   0.00000  -0.00358  -0.00038  -0.00404   2.41809
   A111       2.23526  -0.00002   0.00426   0.00096   0.00532   2.24058
   A112       0.71335   0.00000  -0.00013  -0.00002  -0.00015   0.71320
   A113       1.00565   0.00000  -0.00014  -0.00003  -0.00017   1.00548
   A114       0.69398   0.00001  -0.00010  -0.00001  -0.00010   0.69388
   A115       0.98071   0.00001  -0.00020  -0.00003  -0.00023   0.98049
   A116       1.79216   0.00000   0.00066   0.00008   0.00074   1.79291
   A117       1.41439   0.00000   0.00049   0.00005   0.00054   1.41494
   A118       1.17794   0.00000   0.00054   0.00008   0.00062   1.17856
   A119       0.90200   0.00001   0.00032   0.00013   0.00045   0.90245
   A120       1.24498   0.00000   0.00022   0.00004   0.00026   1.24524
   A121       2.11072  -0.00001  -0.00606  -0.00148  -0.00754   2.10318
   A122       2.08186  -0.00011  -0.00287  -0.00065  -0.00349   2.07836
   A123       2.34734  -0.00003   0.00194   0.00037   0.00230   2.34965
   A124       2.28003   0.00005   0.00214   0.00020   0.00236   2.28239
   A125       1.68084  -0.00005   0.00086  -0.00018   0.00073   1.68157
   A126       1.56976  -0.00003  -0.00601  -0.00152  -0.00755   1.56221
   A127       0.65783   0.00000   0.00001  -0.00004  -0.00002   0.65781
   A128       0.66180   0.00001   0.00004   0.00000   0.00005   0.66185
   A129       2.14436   0.00000   0.00062   0.00013   0.00076   2.14512
   A130       1.77765   0.00000   0.00044   0.00009   0.00053   1.77818
   A131       1.47614   0.00000   0.00045   0.00014   0.00059   1.47673
   A132       1.18249   0.00001   0.00025   0.00017   0.00042   1.18291
   A133       1.63780   0.00000   0.00016   0.00006   0.00022   1.63802
   A134       1.97172  -0.00004  -0.00607  -0.00149  -0.00755   1.96417
   A135       2.11436  -0.00011  -0.00324  -0.00088  -0.00408   2.11029
   A136       2.49627  -0.00005  -0.00046  -0.00022  -0.00071   2.49557
   A137       2.57133   0.00004   0.00094  -0.00016   0.00081   2.57213
   A138       1.80164  -0.00004   0.00183  -0.00002   0.00187   1.80351
   A139       1.79751  -0.00002  -0.00669  -0.00164  -0.00837   1.78914
   A140       0.70484   0.00000  -0.00008  -0.00006  -0.00014   0.70470
   A141       0.83946   0.00001   0.00029   0.00003   0.00032   0.83978
   A142       2.49453   0.00000   0.00050   0.00005   0.00056   2.49509
   A143       2.11571   0.00000   0.00036   0.00002   0.00039   2.11609
   A144       1.88137   0.00000   0.00039   0.00007   0.00046   1.88184
   A145       1.59299   0.00001   0.00017   0.00012   0.00028   1.59327
   A146       1.85066   0.00000   0.00009   0.00000   0.00009   1.85075
   A147       1.54448  -0.00004  -0.00590  -0.00142  -0.00731   1.53716
   A148       1.73253  -0.00010  -0.00308  -0.00087  -0.00390   1.72863
   A149       2.13841  -0.00006  -0.00174  -0.00050  -0.00225   2.13616
   A150       2.32744   0.00003  -0.00075  -0.00056  -0.00130   2.32614
   A151       1.50534  -0.00002   0.00255   0.00016   0.00278   1.50812
   A152       1.60870   0.00000  -0.00646  -0.00153  -0.00808   1.60062
   A153       0.76674   0.00000   0.00028   0.00001   0.00028   0.76702
   A154       0.77614   0.00001   0.00088   0.00015   0.00102   0.77716
   A155       2.79739   0.00000   0.00054   0.00007   0.00061   2.79800
   A156       2.41987   0.00000   0.00034   0.00002   0.00036   2.42024
   A157       2.13029   0.00000   0.00049   0.00012   0.00061   2.13090
   A158       1.83603   0.00001   0.00029   0.00014   0.00043   1.83647
   A159       2.16463  -0.00001  -0.00014  -0.00006  -0.00020   2.16443
   A160       1.39532  -0.00006  -0.00556  -0.00131  -0.00686   1.38846
   A161       1.67765  -0.00009  -0.00312  -0.00092  -0.00400   1.67365
   A162       2.07412  -0.00006  -0.00338  -0.00086  -0.00425   2.06988
   A163       2.33385   0.00000  -0.00238  -0.00085  -0.00322   2.33062
   A164       1.57248   0.00000   0.00248   0.00019   0.00274   1.57521
   A165       1.75667   0.00000  -0.00619  -0.00142  -0.00771   1.74896
   A166       2.11252   0.00001   0.00052   0.00017   0.00069   2.11321
   A167       1.82292   0.00000   0.00034   0.00011   0.00046   1.82338
   A168       1.43306   0.00001   0.00026   0.00016   0.00043   1.43349
   A169       1.15726   0.00001   0.00009   0.00016   0.00026   1.15751
   A170       1.84666   0.00000   0.00012   0.00007   0.00020   1.84686
   A171       2.15738  -0.00006  -0.00502  -0.00123  -0.00625   2.15113
   A172       2.42867  -0.00010  -0.00305  -0.00093  -0.00393   2.42474
   A173       2.83570  -0.00006  -0.00255  -0.00073  -0.00331   2.83239
   A174       2.18994  -0.00003   0.00213   0.00002   0.00222   2.19216
   A175       2.20384  -0.00002  -0.00669  -0.00166  -0.00839   2.19545
   A176       2.20202   0.00000  -0.00014   0.00005  -0.00009   2.20193
   A177       1.99340   0.00000  -0.00024   0.00000  -0.00023   1.99317
   A178       1.58092   0.00000  -0.00038   0.00004  -0.00033   1.58059
   A179       1.33757   0.00001  -0.00047   0.00003  -0.00043   1.33714
   A180       2.10106   0.00001  -0.00026   0.00000  -0.00026   2.10081
   A181       2.06453  -0.00007  -0.00310  -0.00076  -0.00387   2.06066
   A182       2.42257  -0.00006  -0.00174  -0.00070  -0.00241   2.42016
   A183       2.74472  -0.00004  -0.00377  -0.00096  -0.00474   2.73998
   A184       2.33459   0.00000   0.00313   0.00026   0.00346   2.33805
   A185       2.43499   0.00000  -0.00648  -0.00158  -0.00813   2.42686
   A186       0.68985   0.00000   0.00023   0.00000   0.00024   0.69008
   A187       0.98069   0.00000   0.00041  -0.00002   0.00040   0.98108
   A188       0.69660   0.00001   0.00030   0.00002   0.00031   0.69691
   A189       2.00304   0.00006   0.00393   0.00091   0.00483   2.00787
   A190       1.65830   0.00006   0.00183   0.00063   0.00243   1.66072
   A191       1.30281   0.00005   0.00330   0.00082   0.00412   1.30693
   A192       1.01594   0.00001   0.00228   0.00071   0.00299   1.01893
   A193       1.63065  -0.00002  -0.00320  -0.00050  -0.00376   1.62689
   A194       1.37329  -0.00002   0.00413   0.00082   0.00507   1.37836
   A195       0.66658  -0.00001   0.00025  -0.00005   0.00021   0.66679
   A196       2.20863   0.00007   0.00232   0.00049   0.00279   2.21141
   A197       1.81743   0.00003   0.00110   0.00048   0.00155   1.81898
   A198       1.54355   0.00004   0.00392   0.00095   0.00487   1.54843
   A199       1.25643   0.00003   0.00279   0.00073   0.00353   1.25995
   A200       1.63890  -0.00004  -0.00279  -0.00054  -0.00337   1.63553
   A201       1.33609  -0.00003   0.00191   0.00027   0.00230   1.33838
   A202       0.71009   0.00001   0.00026  -0.00002   0.00024   0.71033
   A203       2.62084   0.00007   0.00209   0.00035   0.00241   2.62325
   A204       2.22605   0.00002   0.00106   0.00039   0.00142   2.22747
   A205       1.95361   0.00004   0.00397   0.00090   0.00487   1.95848
   A206       1.66412   0.00003   0.00285   0.00071   0.00356   1.66768
   A207       1.98844  -0.00005  -0.00218  -0.00057  -0.00278   1.98566
   A208       1.67908  -0.00003   0.00056  -0.00013   0.00053   1.67962
   A209       0.83154   0.00000   0.00019   0.00000   0.00020   0.83174
   A210       2.75693   0.00007  -0.00140  -0.00045  -0.00190   2.75503
   A211       2.38709  -0.00002   0.00012   0.00019   0.00028   2.38737
   A212       2.20068   0.00003   0.00427   0.00093   0.00520   2.20589
   A213       1.91905   0.00003   0.00308   0.00068   0.00377   1.92282
   A214       2.04871  -0.00005  -0.00148  -0.00047  -0.00196   2.04675
   A215       1.75544  -0.00003  -0.00138  -0.00054  -0.00184   1.75360
   A216       1.94621   0.00007   0.00015  -0.00006   0.00007   1.94628
   A217       1.55806  -0.00002   0.00014   0.00023   0.00036   1.55841
   A218       1.41437   0.00002   0.00410   0.00093   0.00503   1.41940
   A219       1.17066   0.00005   0.00293   0.00057   0.00351   1.17417
   A220       1.27836  -0.00005  -0.00245  -0.00055  -0.00303   1.27533
   A221       0.96900  -0.00004   0.00030  -0.00012   0.00030   0.96929
   A222       0.70024   0.00001   0.00065   0.00009   0.00074   0.70098
   A223       0.98832   0.00005   0.00137   0.00013   0.00151   0.98983
   A224       0.70879   0.00012  -0.00032  -0.00007  -0.00034   0.70845
   A225       1.00223   0.00010   0.00021   0.00013   0.00023   1.00246
   A226       0.65843   0.00008   0.00040   0.00003   0.00041   0.65885
   A227       0.65841  -0.00002   0.00199   0.00080   0.00272   0.66113
   A228       0.70050  -0.00001  -0.00129   0.00003  -0.00127   0.69924
   A229       0.77851   0.00000   0.00806   0.00193   0.00999   0.78849
   A230       0.82271   0.00005  -0.00311  -0.00067  -0.00380   0.81891
   A231       0.77537   0.00006   0.00739   0.00141   0.00889   0.78425
   A232       1.70639  -0.00002  -0.00249  -0.00084  -0.00332   1.70307
   A233       1.79670  -0.00007   0.00778  -0.00029   0.00749   1.80419
   A234       2.19141  -0.00002   0.00028  -0.00006   0.00022   2.19163
   A235       2.12867   0.00002  -0.00066   0.00027  -0.00037   2.12829
   A236       1.96297  -0.00001   0.00039  -0.00021   0.00017   1.96313
   A237       2.12422  -0.00001   0.00001  -0.00012  -0.00011   2.12411
   A238       2.12172   0.00002  -0.00012  -0.00004  -0.00016   2.12156
   A239       2.03701  -0.00001   0.00024   0.00014   0.00039   2.03740
   A240       1.71805   0.00002   0.00398   0.00107   0.00504   1.72310
   A241       2.64484  -0.00001  -0.00381  -0.00090  -0.00471   2.64012
   A242       1.91231   0.00001  -0.00007  -0.00004  -0.00010   1.91221
   A243       1.91245   0.00003  -0.00043   0.00010  -0.00033   1.91212
   A244       1.92526   0.00000   0.00071  -0.00023   0.00046   1.92572
   A245       1.90741  -0.00001   0.00003   0.00007   0.00009   1.90750
   A246       1.91178  -0.00001   0.00006  -0.00003   0.00003   1.91181
   A247       1.89445  -0.00002  -0.00030   0.00014  -0.00014   1.89430
   A248       1.37063  -0.00003  -0.00174  -0.00054  -0.00227   1.36836
   A249       1.90671  -0.00001   0.00019  -0.00010   0.00010   1.90681
   A250       1.90812  -0.00002   0.00014  -0.00004   0.00010   1.90822
   A251       1.93036   0.00000  -0.00039   0.00007  -0.00032   1.93004
   A252       1.91149   0.00001  -0.00017  -0.00009  -0.00027   1.91122
   A253       1.89518   0.00000   0.00017   0.00009   0.00026   1.89544
   A254       1.91185   0.00002   0.00006   0.00008   0.00013   1.91199
   A255       1.71657   0.00001  -0.00018   0.00007  -0.00010   1.71647
   A256       1.78141   0.00000   0.00020  -0.00007   0.00013   1.78154
   A257       2.18995  -0.00001   0.00008   0.00010   0.00019   2.19013
   A258       2.13036   0.00000  -0.00010  -0.00008  -0.00018   2.13018
   A259       1.96268   0.00001   0.00002  -0.00002   0.00000   1.96267
   A260       2.12282   0.00001   0.00010   0.00005   0.00014   2.12296
   A261       2.12479   0.00001  -0.00017  -0.00004  -0.00019   2.12459
   A262       2.03553  -0.00002   0.00008  -0.00001   0.00006   2.03559
   A263       1.35049   0.00002   0.00179   0.00048   0.00228   1.35277
   A264       1.90034   0.00002   0.00029  -0.00005   0.00024   1.90058
   A265       1.93166  -0.00002  -0.00054   0.00010  -0.00044   1.93122
   A266       1.90936   0.00000   0.00029   0.00004   0.00034   1.90970
   A267       1.89814   0.00000  -0.00003  -0.00003  -0.00006   1.89808
   A268       1.91367  -0.00001  -0.00018   0.00004  -0.00015   1.91352
   A269       1.91057   0.00000   0.00017  -0.00009   0.00007   1.91064
   A270       2.63986  -0.00001  -0.00159  -0.00034  -0.00193   2.63792
   A271       1.72439   0.00001   0.00162   0.00034   0.00196   1.72635
   A272       1.92340   0.00000  -0.00031   0.00008  -0.00022   1.92318
   A273       1.91541   0.00003   0.00019   0.00000   0.00019   1.91560
   A274       1.91460   0.00000  -0.00006  -0.00001  -0.00008   1.91452
   A275       1.89467  -0.00001   0.00008  -0.00003   0.00005   1.89473
   A276       1.91049   0.00000  -0.00002  -0.00003  -0.00005   1.91044
   A277       1.90504  -0.00002   0.00013  -0.00002   0.00011   1.90516
   A278       1.82489  -0.00003   0.00092  -0.00023   0.00070   1.82558
   A279       1.74420   0.00001  -0.00106   0.00003  -0.00103   1.74317
   A280       2.18954  -0.00001   0.00022  -0.00007   0.00015   2.18969
   A281       2.13064   0.00001  -0.00009   0.00010   0.00001   2.13065
   A282       1.96292   0.00000  -0.00013  -0.00003  -0.00016   1.96276
   A283       2.12149  -0.00001  -0.00011   0.00006  -0.00006   2.12143
   A284       2.11557  -0.00001   0.00016  -0.00007   0.00009   2.11565
   A285       2.04169   0.00001   0.00000   0.00003   0.00004   2.04173
   A286       2.70824   0.00000   0.00086   0.00002   0.00088   2.70912
   A287       1.65041   0.00001  -0.00067   0.00009  -0.00059   1.64982
   A288       1.92696   0.00001   0.00026  -0.00008   0.00017   1.92714
   A289       1.91409  -0.00001   0.00033  -0.00008   0.00025   1.91434
   A290       1.91210   0.00000   0.00004  -0.00012  -0.00007   1.91203
   A291       1.89107   0.00001  -0.00033   0.00027  -0.00006   1.89100
   A292       1.91253  -0.00001  -0.00020  -0.00003  -0.00024   1.91230
   A293       1.90686   0.00000  -0.00010   0.00004  -0.00005   1.90681
   A294       1.36815  -0.00004  -0.00056  -0.00049  -0.00105   1.36710
   A295       1.14328   0.00002   0.00035   0.00030   0.00065   1.14393
   A296       1.93266   0.00000   0.00033  -0.00015   0.00018   1.93284
   A297       1.90658  -0.00001   0.00039  -0.00007   0.00032   1.90690
   A298       1.90218   0.00001  -0.00014  -0.00005  -0.00019   1.90199
   A299       1.90967   0.00001  -0.00009   0.00002  -0.00007   1.90960
   A300       1.89794  -0.00001  -0.00003   0.00011   0.00008   1.89802
   A301       1.91473  -0.00001  -0.00046   0.00014  -0.00032   1.91442
   A302       1.83684  -0.00016  -0.00027  -0.00291  -0.00311   1.83373
   A303       1.62173   0.00038  -0.00092   0.00262   0.00165   1.62338
   A304       2.19780   0.00022  -0.00098  -0.00001  -0.00105   2.19676
   A305       2.13185  -0.00014  -0.00218   0.00062  -0.00159   2.13026
   A306       1.95315  -0.00008   0.00321  -0.00061   0.00263   1.95578
   A307       2.13885  -0.00039  -0.00323  -0.00014  -0.00333   2.13552
   A308       2.11245   0.00045   0.00487   0.00058   0.00558   2.11803
   A309       2.03187  -0.00005  -0.00179  -0.00043  -0.00226   2.02960
   A310       1.68061  -0.00014  -0.01267  -0.00380  -0.01637   1.66424
   A311       2.67826   0.00030   0.01316   0.00413   0.01719   2.69545
   A312       1.90828   0.00007   0.00084  -0.00047   0.00045   1.90873
   A313       1.91648  -0.00003   0.00001   0.00103   0.00093   1.91741
   A314       1.90811   0.00026   0.00073   0.00002   0.00069   1.90880
   A315       1.91857  -0.00016  -0.00065  -0.00053  -0.00116   1.91741
   A316       1.92502  -0.00030  -0.00230  -0.00040  -0.00269   1.92234
   A317       1.88727   0.00016   0.00136   0.00036   0.00180   1.88906
   A318       1.42197   0.00045   0.05031   0.01231   0.06260   1.48457
   A319       1.91358   0.00004   0.00024   0.00255   0.00221   1.91579
   A320       1.90354   0.00009   0.00503   0.00067   0.00524   1.90878
   A321       1.93551  -0.00008  -0.00310  -0.00291  -0.00561   1.92990
   A322       1.89550   0.00029   0.00518   0.00037   0.00599   1.90148
   A323       1.91975  -0.00031  -0.00469  -0.00028  -0.00490   1.91485
   A324       1.89535  -0.00002  -0.00238  -0.00035  -0.00270   1.89265
   A325       2.91698   0.00000  -0.00138  -0.00020  -0.00158   2.91540
   A326       3.31106  -0.00006  -0.00186  -0.00013  -0.00203   3.30903
   A327       3.02792  -0.00006  -0.00176  -0.00012  -0.00191   3.02601
   A328       3.28249   0.00000  -0.00168  -0.00046  -0.00214   3.28035
   A329       3.26106   0.00002   0.00196   0.00039   0.00235   3.26341
   A330       3.27782  -0.00002  -0.00065  -0.00047  -0.00112   3.27670
   A331       3.34172   0.00014   0.04562   0.01203   0.05770   3.39942
   A332       3.20807   0.00001   0.00189   0.00036   0.00225   3.21032
   A333       3.12362  -0.00001  -0.00230  -0.00087  -0.00317   3.12045
   A334       3.07409  -0.00001  -0.00214  -0.00077  -0.00291   3.07118
   A335       3.22711  -0.00001   0.00049   0.00000   0.00049   3.22760
   A336       3.07370   0.00001   0.00013  -0.00013   0.00000   3.07370
   A337       3.10098   0.00000  -0.00007   0.00025   0.00018   3.10116
   A338       3.06516   0.00011  -0.00541  -0.00408  -0.00914   3.05602
    D1        2.74134  -0.00001   0.00143   0.00004   0.00146   2.74281
    D2       -1.35285  -0.00001   0.00237  -0.00009   0.00227  -1.35057
    D3        2.71281   0.00001   0.00290   0.00056   0.00346   2.71626
    D4       -1.38138   0.00000   0.00384   0.00043   0.00427  -1.37711
    D5        1.61456   0.00000   0.00090   0.00029   0.00118   1.61575
    D6       -2.47963  -0.00001   0.00184   0.00016   0.00199  -2.47763
    D7        1.76975   0.00001   0.00164   0.00037   0.00201   1.77175
    D8       -2.32444   0.00000   0.00258   0.00024   0.00282  -2.32163
    D9        0.23221   0.00000   0.00141   0.00015   0.00156   0.23377
   D10        2.42121  -0.00001   0.00235   0.00003   0.00238   2.42358
   D11       -0.03375   0.00000   0.00093   0.00011   0.00104  -0.03271
   D12        2.15524  -0.00001   0.00187  -0.00001   0.00185   2.15710
   D13       -0.49526   0.00000   0.00101   0.00020   0.00121  -0.49406
   D14        1.69373  -0.00001   0.00195   0.00007   0.00202   1.69575
   D15       -0.61680  -0.00001   0.00014   0.00006   0.00019  -0.61661
   D16        1.57219  -0.00001   0.00108  -0.00007   0.00101   1.57320
   D17        0.15095  -0.00001   0.00037   0.00005   0.00041   0.15136
   D18        2.33995  -0.00001   0.00131  -0.00008   0.00122   2.34117
   D19        0.10143   0.00000   0.00052   0.00015   0.00066   0.10209
   D20        2.29042  -0.00001   0.00147   0.00002   0.00148   2.29190
   D21        2.28324   0.00000   0.00052   0.00018   0.00070   2.28393
   D22       -1.81095  -0.00001   0.00146   0.00005   0.00151  -1.80944
   D23        2.03034  -0.00001   0.00000   0.00004   0.00004   2.03038
   D24       -2.06385  -0.00001   0.00094  -0.00009   0.00085  -2.06300
   D25        1.59191   0.00000   0.00032   0.00013   0.00045   1.59236
   D26       -2.50228  -0.00001   0.00126   0.00000   0.00126  -2.50102
   D27        1.28446   0.00000   0.00036   0.00014   0.00050   1.28496
   D28       -2.80973  -0.00001   0.00130   0.00002   0.00131  -2.80842
   D29        2.22000  -0.00001  -0.00122  -0.00012  -0.00135   2.21865
   D30       -1.87419  -0.00001  -0.00028  -0.00025  -0.00053  -1.87473
   D31       -2.00483   0.00005   0.00535   0.00127   0.00661  -1.99822
   D32        0.18417   0.00005   0.00629   0.00115   0.00742   0.19158
   D33       -2.30842   0.00008   0.00289   0.00095   0.00380  -2.30461
   D34       -0.11942   0.00007   0.00383   0.00083   0.00461  -0.11481
   D35       -2.69534   0.00005   0.00363   0.00095   0.00459  -2.69075
   D36       -0.50635   0.00005   0.00457   0.00083   0.00540  -0.50095
   D37       -2.97267   0.00001   0.00266   0.00092   0.00358  -2.96909
   D38       -0.78367   0.00000   0.00360   0.00079   0.00439  -0.77928
   D39       -2.23658  -0.00001  -0.00351  -0.00020  -0.00380  -2.24039
   D40       -0.04759  -0.00001  -0.00257  -0.00033  -0.00299  -0.05058
   D41       -2.53253  -0.00002   0.00587   0.00153   0.00760  -2.52493
   D42       -0.34353  -0.00003   0.00681   0.00141   0.00841  -0.33512
   D43        1.34601  -0.00001  -0.00160  -0.00087  -0.00247   1.34354
   D44       -1.98027   0.00000   0.00147   0.00073   0.00219  -1.97808
   D45        2.49303   0.00001  -0.00134  -0.00050  -0.00184   2.49119
   D46       -0.83325   0.00001   0.00173   0.00110   0.00282  -0.83043
   D47        2.95404   0.00002  -0.00084  -0.00042  -0.00126   2.95278
   D48       -0.37225   0.00002   0.00223   0.00118   0.00341  -0.36884
   D49        2.85152  -0.00002  -0.00603  -0.00133  -0.00736   2.84415
   D50       -0.47477  -0.00001  -0.00296   0.00026  -0.00270  -0.47747
   D51        2.03255  -0.00001  -0.00411  -0.00098  -0.00509   2.02746
   D52       -1.29373  -0.00001  -0.00105   0.00062  -0.00043  -1.29416
   D53        1.16567   0.00000  -0.00205  -0.00053  -0.00258   1.16309
   D54       -2.16061   0.00001   0.00101   0.00107   0.00208  -2.15853
   D55        1.05009  -0.00001  -0.00317  -0.00083  -0.00400   1.04609
   D56       -2.27619   0.00000  -0.00011   0.00077   0.00066  -2.27553
   D57        2.04384  -0.00001  -0.00374  -0.00099  -0.00474   2.03910
   D58       -1.28244  -0.00001  -0.00068   0.00061  -0.00008  -1.28252
   D59        1.87222  -0.00001  -0.00298  -0.00085  -0.00384   1.86838
   D60       -1.45406  -0.00001   0.00008   0.00075   0.00082  -1.45324
   D61       -2.29928   0.00000  -0.00264  -0.00070  -0.00334  -2.30262
   D62        0.65763   0.00000   0.00043   0.00090   0.00132   0.65895
   D63       -2.41885  -0.00001  -0.00326  -0.00087  -0.00412  -2.42297
   D64        0.53806  -0.00001  -0.00019   0.00073   0.00054   0.53859
   D65       -2.81883  -0.00001  -0.00358  -0.00086  -0.00445  -2.82328
   D66        0.13808  -0.00001  -0.00052   0.00073   0.00021   0.13829
   D67       -2.99064  -0.00001  -0.00393  -0.00096  -0.00489  -2.99553
   D68       -0.03373  -0.00001  -0.00087   0.00064  -0.00023  -0.03396
   D69       -2.13163   0.00000  -0.00363  -0.00095  -0.00459  -2.13622
   D70        0.82528   0.00000  -0.00057   0.00064   0.00007   0.82535
   D71       -0.19533   0.00007  -0.00206  -0.00066  -0.00272  -0.19806
   D72        2.76157   0.00007   0.00101   0.00094   0.00194   2.76351
   D73       -0.59274   0.00000  -0.00260  -0.00049  -0.00312  -0.59586
   D74        2.36417   0.00001   0.00046   0.00111   0.00154   2.36571
   D75       -0.84110   0.00003   0.00087   0.00014   0.00102  -0.84008
   D76        2.11580   0.00004   0.00393   0.00174   0.00568   2.12148
   D77       -1.15712   0.00002  -0.00024  -0.00003  -0.00026  -1.15738
   D78        1.79979   0.00003   0.00282   0.00157   0.00440   1.80419
   D79       -0.80202  -0.00005  -0.00607  -0.00145  -0.00756  -0.80959
   D80        2.15488  -0.00005  -0.00301   0.00015  -0.00290   2.15198
   D81       -1.12515  -0.00004  -0.00256  -0.00092  -0.00338  -1.12852
   D82        1.83176  -0.00004   0.00050   0.00068   0.00128   1.83304
   D83       -1.49992   0.00000  -0.00093  -0.00009  -0.00101  -1.50094
   D84       -2.59789   0.00001   0.00034   0.00002   0.00036  -2.59753
   D85       -2.96528   0.00001   0.00158   0.00032   0.00190  -2.96338
   D86        0.71386   0.00000  -0.00165  -0.00031  -0.00196   0.71190
   D87        0.29551   0.00000  -0.00156  -0.00033  -0.00189   0.29362
   D88       -0.08812   0.00000  -0.00109  -0.00017  -0.00126  -0.08938
   D89       -0.41491   0.00000  -0.00143  -0.00025  -0.00168  -0.41658
   D90        0.18211  -0.00001  -0.00187  -0.00044  -0.00232   0.17979
   D91       -0.04373  -0.00001  -0.00161  -0.00039  -0.00201  -0.04574
   D92        2.36031   0.00000  -0.00093  -0.00018  -0.00110   2.35920
   D93        2.01726   0.00000  -0.00138  -0.00029  -0.00167   2.01559
   D94        1.61908   0.00000  -0.00153  -0.00025  -0.00177   1.61731
   D95        1.33566   0.00000  -0.00180  -0.00028  -0.00209   1.33358
   D96        2.02807  -0.00001  -0.00184  -0.00038  -0.00222   2.02585
   D97       -2.06391   0.00008   0.00194   0.00046   0.00241  -2.06150
   D98       -2.52918   0.00001  -0.00101   0.00008  -0.00096  -2.53014
   D99       -2.78190   0.00003   0.00238   0.00060   0.00299  -2.77891
   D100      -3.05768   0.00003   0.00117   0.00028   0.00147  -3.05621
   D101      -2.86560  -0.00011  -0.00745  -0.00168  -0.00916  -2.87476
   D102       2.90295  -0.00008  -0.00716  -0.00197  -0.00910   2.89386
   D103      -2.86221   0.00001  -0.00193  -0.00023  -0.00217  -2.86437
   D104       1.23143   0.00001  -0.00182  -0.00015  -0.00198   1.22945
   D105       2.87688   0.00000  -0.00029  -0.00032  -0.00061   2.87627
   D106       0.68733   0.00001  -0.00018  -0.00024  -0.00042   0.68691
   D107       2.38020   0.00002   0.00253   0.00027   0.00280   2.38301
   D108       0.19065   0.00002   0.00264   0.00035   0.00299   0.19365
   D109       1.79226   0.00000   0.00137   0.00002   0.00140   1.79366
   D110      -0.39729   0.00000   0.00148   0.00010   0.00159  -0.39570
   D111       2.63361   0.00000  -0.00091  -0.00035  -0.00126   2.63234
   D112       0.44406   0.00000  -0.00080  -0.00027  -0.00107   0.44298
   D113       2.30408  -0.00001  -0.00128  -0.00040  -0.00168   2.30240
   D114       0.11453  -0.00001  -0.00117  -0.00032  -0.00149   0.11304
   D115      -1.61004   0.00000  -0.00024  -0.00015  -0.00039  -1.61042
   D116       2.48360   0.00000  -0.00013  -0.00007  -0.00020   2.48340
   D117      -1.77219   0.00001   0.00030  -0.00003   0.00027  -1.77191
   D118       2.32145   0.00001   0.00041   0.00005   0.00046   2.32191
   D119      -2.73509   0.00001  -0.00027  -0.00006  -0.00033  -2.73542
   D120       1.35855   0.00001  -0.00016   0.00002  -0.00014   1.35840
   D121      -2.70904   0.00000  -0.00090  -0.00023  -0.00112  -2.71016
   D122       1.38460   0.00000  -0.00079  -0.00015  -0.00093   1.38366
   D123       1.38795   0.00000  -0.00033  -0.00024  -0.00057   1.38738
   D124      -0.80160   0.00000  -0.00022  -0.00016  -0.00038  -0.80198
   D125       1.35320   0.00001  -0.00023  -0.00020  -0.00044   1.35276
   D126      -0.83635   0.00001  -0.00013  -0.00012  -0.00025  -0.83660
   D127       1.70839   0.00001  -0.00006  -0.00024  -0.00030   1.70809
   D128      -0.48116   0.00001   0.00004  -0.00016  -0.00011  -0.48127
   D129       1.82774   0.00001  -0.00011  -0.00020  -0.00030   1.82743
   D130      -0.36181   0.00001   0.00000  -0.00012  -0.00012  -0.36193
   D131       0.95067   0.00000  -0.00026  -0.00020  -0.00046   0.95021
   D132      -1.23887   0.00000  -0.00015  -0.00012  -0.00027  -1.23915
   D133      -0.87148  -0.00008  -0.00174  -0.00044  -0.00216  -0.87364
   D134      -3.06103  -0.00008  -0.00163  -0.00035  -0.00197  -3.06300
   D135      -0.41379  -0.00003  -0.00191  -0.00082  -0.00268  -0.41647
   D136      -2.60334  -0.00003  -0.00180  -0.00074  -0.00249  -2.60583
   D137      -0.02278  -0.00007  -0.00572  -0.00149  -0.00724  -0.03003
   D138      -2.21233  -0.00006  -0.00562  -0.00141  -0.00705  -2.21939
   D139       0.36219   0.00000  -0.00341  -0.00122  -0.00463   0.35756
   D140      -1.82736   0.00000  -0.00330  -0.00114  -0.00444  -1.83180
   D141      -0.26951   0.00004   0.00268   0.00031   0.00304  -0.26646
   D142      -2.45906   0.00004   0.00279   0.00039   0.00323  -2.45582
   D143       0.01990   0.00003  -0.00316  -0.00072  -0.00399   0.01591
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   D146      -2.70478  -0.00001  -0.00137  -0.00051  -0.00188  -2.70666
   D147      -2.35594  -0.00001  -0.00205  -0.00065  -0.00270  -2.35863
   D148       3.03825  -0.00001  -0.00164  -0.00053  -0.00217   3.03608
   D149       2.67027  -0.00001  -0.00156  -0.00050  -0.00205   2.66822
   D150       1.51493   0.00000  -0.00039  -0.00016  -0.00055   1.51438
   D151       2.61387   0.00001  -0.00041  -0.00012  -0.00051   2.61335
   D152       2.97998   0.00001  -0.00094  -0.00023  -0.00116   2.97882
   D153       1.28120   0.00000  -0.00067  -0.00032  -0.00099   1.28021
   D154       1.30854   0.00001  -0.00045  -0.00023  -0.00068   1.30787
   D155       1.68644   0.00001  -0.00016  -0.00024  -0.00039   1.68605
   D156       1.74603   0.00001  -0.00023  -0.00018  -0.00040   1.74563
   D157       0.94338   0.00000  -0.00047  -0.00022  -0.00070   0.94268
   D158      -1.01081  -0.00006   0.00112   0.00027   0.00140  -1.00941
   D159      -0.66089   0.00005   0.00026  -0.00022   0.00006  -0.66083
   D160      -0.61843  -0.00001  -0.00503  -0.00121  -0.00624  -0.62468
   D161      -0.33729  -0.00006  -0.00456  -0.00100  -0.00558  -0.34288
   D162      -0.30228   0.00006   0.00129   0.00030   0.00160  -0.30068
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   D165       1.70151  -0.00001  -0.00041   0.00009  -0.00033   1.70119
   D166      -1.61542  -0.00001   0.00021   0.00023   0.00045  -1.61497
   D167       1.34297  -0.00001   0.00057  -0.00003   0.00053   1.34350
   D168      -1.68162   0.00000   0.00103   0.00043   0.00146  -1.68016
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   D171       0.98430   0.00000   0.00375   0.00069   0.00446   0.98876
   D172      -1.96786  -0.00002  -0.00031   0.00015  -0.00015  -1.96802
   D173       0.99052  -0.00002   0.00005  -0.00011  -0.00007   0.99046
   D174      -2.26851  -0.00002  -0.00020   0.00020  -0.00001  -2.26852
   D175       0.68987  -0.00002   0.00015  -0.00007   0.00008   0.68996
   D176       1.97889   0.00000   0.00056   0.00049   0.00105   1.97994
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   D179      -2.49231   0.00000   0.00100   0.00020   0.00121  -2.49110
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   D181      -2.95741   0.00000   0.00141   0.00028   0.00170  -2.95572
   D182      -3.06196   0.00000   0.00092   0.00039   0.00132  -3.06064
   D183      -0.10358   0.00000   0.00127   0.00013   0.00141  -0.10217
   D184       2.95398  -0.00001   0.00084   0.00040   0.00124   2.95523
   D185      -0.37081  -0.00001   0.00119   0.00013   0.00133  -0.36949
   D186       3.09667   0.00000   0.00106   0.00042   0.00148   3.09815
   D187      -0.22813   0.00000   0.00141   0.00016   0.00157  -0.22656
   D188       2.98964   0.00000   0.00094   0.00051   0.00145   2.99109
   D189      -0.33516   0.00000   0.00129   0.00025   0.00153  -0.33362
   D190       2.51378  -0.00001   0.00063   0.00038   0.00101   2.51479
   D191      -0.81102  -0.00001   0.00099   0.00011   0.00110  -0.80992
   D192       0.24104  -0.00006   0.00494   0.00155   0.00647   0.24751
   D193      -3.08375  -0.00006   0.00529   0.00128   0.00656  -3.07720
   D194       0.63078   0.00008   0.00229   0.00052   0.00278   0.63356
   D195      -2.69402   0.00008   0.00264   0.00026   0.00287  -2.69115
   D196       0.57606  -0.00001  -0.01088  -0.00214  -0.01292   0.56314
   D197      -2.74873  -0.00001  -0.01052  -0.00241  -0.01284  -2.76157
   D198       1.10994   0.00006   0.00323   0.00101   0.00426   1.11420
   D199      -2.21486   0.00005   0.00358   0.00074   0.00435  -2.21051
   D200       1.49225   0.00003  -0.00058   0.00028  -0.00044   1.49181
   D201      -1.83255   0.00003  -0.00023   0.00002  -0.00035  -1.83290
   D202       1.64636   0.00001   0.00189   0.00031   0.00220   1.64856
   D203      -0.57108   0.00001   0.00209   0.00028   0.00237  -0.56871
   D204       1.68401   0.00001   0.00134   0.00033   0.00167   1.68568
   D205      -0.53344   0.00001   0.00154   0.00030   0.00184  -0.53160
   D206       1.32690   0.00001   0.00178   0.00042   0.00219   1.32909
   D207      -0.89054   0.00001   0.00198   0.00038   0.00236  -0.88818
   D208       1.17452   0.00000   0.00036   0.00002   0.00039   1.17490
   D209      -1.04293   0.00000   0.00057  -0.00001   0.00056  -1.04237
   D210       2.10041   0.00002   0.00151   0.00037   0.00187   2.10229
   D211      -0.11703   0.00002   0.00171   0.00033   0.00204  -0.11499
   D212       2.21386   0.00001   0.00097   0.00025   0.00122   2.21508
   D213      -0.00358   0.00001   0.00118   0.00021   0.00139  -0.00219
   D214      -2.23425   0.00000   0.00045   0.00008   0.00053  -2.23373
   D215       1.83149   0.00001   0.00065   0.00005   0.00070   1.83218
   D216      -2.42452   0.00001   0.00047   0.00013   0.00059  -2.42393
   D217       1.64122   0.00001   0.00068   0.00010   0.00076   1.64198
   D218      -2.07827   0.00000   0.00063   0.00019   0.00082  -2.07746
   D219       1.98747   0.00001   0.00083   0.00016   0.00099   1.98845
   D220      -2.28067   0.00002   0.00196   0.00061   0.00256  -2.27811
   D221       1.78507   0.00002   0.00216   0.00057   0.00273   1.78780
   D222      -2.90370   0.00000   0.00033   0.00011   0.00042  -2.90328
   D223       1.16204   0.00000   0.00054   0.00007   0.00059   1.16263
   D224       3.05091  -0.00001   0.00020   0.00007   0.00025   3.05117
   D225       0.83347  -0.00001   0.00040   0.00003   0.00042   0.83389
   D226      -2.70913   0.00000   0.00006   0.00007   0.00012  -2.70901
   D227       1.35662   0.00000   0.00026   0.00003   0.00029   1.35691
   D228      -2.64797  -0.00001   0.00024   0.00000   0.00024  -2.64773
   D229       1.41777  -0.00001   0.00045  -0.00004   0.00041   1.41818
   D230      -1.55875   0.00000   0.00010   0.00002   0.00011  -1.55864
   D231       2.50699   0.00000   0.00030  -0.00002   0.00028   2.50727
   D232       0.08995   0.00004  -0.00413  -0.00113  -0.00528   0.08467
   D233      -2.12750   0.00004  -0.00393  -0.00117  -0.00511  -2.13261
   D234      -0.11309  -0.00009  -0.00183  -0.00038  -0.00220  -0.11529
   D235      -2.33053  -0.00009  -0.00163  -0.00042  -0.00203  -2.33256
   D236       0.08860  -0.00003   0.00253   0.00050   0.00302   0.09161
   D237      -2.12885  -0.00002   0.00273   0.00046   0.00319  -2.12566
   D238       0.03871   0.00006   0.00209   0.00011   0.00222   0.04092
   D239      -2.17873   0.00006   0.00229   0.00007   0.00238  -2.17635
   D240      -0.53687  -0.00005   0.00064  -0.00021   0.00046  -0.53641
   D241      -2.75431  -0.00005   0.00085  -0.00025   0.00063  -2.75368
   D242      -0.70959  -0.00003  -0.00501  -0.00134  -0.00633  -0.71592
   D243      -2.92704  -0.00003  -0.00480  -0.00137  -0.00616  -2.93320
   D244      -2.89790   0.00001   0.00093  -0.00025   0.00068  -2.89721
   D245       0.01100   0.00002   0.00060   0.00043   0.00103   0.01203
   D246      -3.11478   0.00001   0.00086  -0.00034   0.00051  -3.11427
   D247      -0.20588   0.00002   0.00053   0.00033   0.00086  -0.20502
   D248       2.76063   0.00001   0.00156  -0.00020   0.00136   2.76200
   D249      -0.61365   0.00002   0.00123   0.00048   0.00171  -0.61194
   D250       2.52712   0.00000   0.00088  -0.00040   0.00048   2.52760
   D251      -0.84716   0.00001   0.00055   0.00028   0.00083  -0.84633
   D252      -2.91374   0.00001   0.00053  -0.00036   0.00017  -2.91357
   D253      -0.00484   0.00001   0.00020   0.00031   0.00052  -0.00432
   D254      -3.08477   0.00000  -0.00055  -0.00055  -0.00110  -3.08587
   D255      -0.17587   0.00000  -0.00087   0.00012  -0.00075  -0.17662
   D256      -0.65777   0.00001   0.00029  -0.00050  -0.00022  -0.65799
   D257       2.25113   0.00001  -0.00004   0.00017   0.00013   2.25126
   D258      -0.92250   0.00001   0.00031  -0.00046  -0.00016  -0.92266
   D259       1.98640   0.00001  -0.00002   0.00021   0.00019   1.98659
   D260      -0.77896   0.00000   0.00017  -0.00044  -0.00028  -0.77924
   D261       2.12994   0.00001  -0.00016   0.00023   0.00007   2.13001
   D262      -0.99550   0.00001   0.00057  -0.00032   0.00025  -0.99525
   D263       1.91340   0.00001   0.00024   0.00036   0.00060   1.91400
   D264      -1.32972   0.00000   0.00037  -0.00044  -0.00009  -1.32980
   D265       1.57918   0.00001   0.00004   0.00024   0.00026   1.57944
   D266      -1.57686   0.00000   0.00014  -0.00048  -0.00035  -1.57721
   D267       1.33204   0.00000  -0.00019   0.00020   0.00000   1.33204
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   D269      -1.39437   0.00001  -0.00026   0.00018  -0.00007  -1.39445
   D270       0.86356   0.00000  -0.00007  -0.00054  -0.00061   0.86295
   D271      -2.51073   0.00000  -0.00040   0.00014  -0.00026  -2.51099
   D272       1.32011   0.00002  -0.01048  -0.00326  -0.01378   1.30633
   D273      -2.05418   0.00003  -0.01081  -0.00258  -0.01343  -2.06761
   D274       1.26979  -0.00013  -0.00316  -0.00134  -0.00447   1.26532
   D275      -2.10449  -0.00013  -0.00349  -0.00067  -0.00412  -2.10861
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   D277      -1.75244  -0.00003   0.00139   0.00041   0.00180  -1.75064
   D278       1.64623   0.00005   0.00118  -0.00064   0.00057   1.64680
   D279      -1.72806   0.00005   0.00085   0.00004   0.00092  -1.72714
   D280       0.85916  -0.00003   0.00251  -0.00043   0.00215   0.86131
   D281      -2.51512  -0.00003   0.00219   0.00025   0.00249  -2.51263
   D282       0.86683  -0.00001  -0.00644  -0.00210  -0.00859   0.85824
   D283      -2.50746  -0.00001  -0.00676  -0.00142  -0.00824  -2.51570
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   D285      -2.60360   0.00002   0.00312   0.00085   0.00398  -2.59962
   D286       1.63148   0.00002   0.00218   0.00040   0.00258   1.63406
   D287      -2.58946   0.00002   0.00181   0.00074   0.00254  -2.58692
   D288       1.28338   0.00001   0.00230   0.00042   0.00272   1.28610
   D289      -2.93756   0.00002   0.00193   0.00075   0.00269  -2.93487
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   D292       2.01098   0.00002   0.00189   0.00034   0.00223   2.01321
   D293      -2.20996   0.00002   0.00153   0.00067   0.00220  -2.20777
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   D300      -1.93806   0.00001   0.00135   0.00019   0.00153  -1.93653
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   D302      -1.89379   0.00002   0.00187   0.00031   0.00218  -1.89161
   D303       0.16845   0.00002   0.00150   0.00064   0.00215   0.17060
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   D307      -0.75598   0.00000   0.00057   0.00048   0.00104  -0.75493
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   D309      -2.70073   0.00001   0.00046   0.00039   0.00086  -2.69988
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   D311      -1.60067   0.00000   0.00046   0.00040   0.00086  -1.59981
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   D313      -1.21372  -0.00001   0.00073   0.00035   0.00107  -1.21264
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   D316      -0.20261  -0.00010  -0.00182  -0.00065  -0.00243  -0.20504
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   D318       0.18073  -0.00005   0.00052  -0.00011   0.00040   0.18113
   D319       2.24297  -0.00004   0.00015   0.00022   0.00037   2.24334
   D320       0.34557   0.00004   0.00054  -0.00041   0.00015   0.34572
   D321       2.40782   0.00004   0.00017  -0.00008   0.00011   2.40793
   D322      -0.52552  -0.00002   0.00329   0.00017   0.00352  -0.52200
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   D324      -0.51738  -0.00001  -0.00684  -0.00181  -0.00873  -0.52611
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   D327       2.04917  -0.00006   0.00309   0.00322   0.00629   2.05546
   D328       0.21806  -0.00001   0.00473   0.00230   0.00701   0.22507
   D329       2.39061  -0.00007   0.00197   0.00319   0.00514   2.39575
   D330       0.57471   0.00000   0.00435   0.00222   0.00656   0.58127
   D331       2.74726  -0.00006   0.00159   0.00311   0.00469   2.75196
   D332       0.86091   0.00000   0.00399   0.00218   0.00617   0.86708
   D333       3.03346  -0.00005   0.00123   0.00307   0.00430   3.03776
   D334       0.23627  -0.00004   0.00376   0.00203   0.00577   0.24205
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   D336       0.58175  -0.00005   0.00549   0.00245   0.00794   0.58969
   D337       2.75430  -0.00010   0.00273   0.00334   0.00607   2.76037
   D338      -2.51845   0.00004   0.00626   0.00254   0.00879  -2.50966
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   D341       0.06750  -0.00003   0.00213   0.00314   0.00527   0.07277
   D342      -2.06209   0.00000   0.00545   0.00240   0.00785  -2.05423
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   D344      -1.78125  -0.00002   0.00561   0.00245   0.00807  -1.77318
   D345       0.39130  -0.00007   0.00285   0.00334   0.00620   0.39750
   D346      -1.69235   0.00003   0.00300   0.00176   0.00479  -1.68756
   D347       0.48020  -0.00002   0.00024   0.00265   0.00292   0.48312
   D348      -1.37465   0.00002   0.00280   0.00172   0.00454  -1.37011
   D349       0.79790  -0.00003   0.00004   0.00261   0.00268   0.80057
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   D351      -2.50915  -0.00007   0.00426   0.00379   0.00806  -2.50109
   D352       1.97401  -0.00001   0.00914   0.00341   0.01256   1.98657
   D353      -2.13663  -0.00006   0.00638   0.00430   0.01070  -2.12593
   D354       2.04555  -0.00002   0.01448   0.00480   0.01932   2.06487
   D355      -2.06508  -0.00007   0.01173   0.00569   0.01745  -2.04763
   D356       2.65618   0.00007   0.01945   0.00558   0.02500   2.68118
   D357      -1.45446   0.00002   0.01670   0.00647   0.02313  -1.43133
   D358       2.35960   0.00001   0.00772   0.00298   0.01069   2.37029
   D359      -1.75104  -0.00004   0.00496   0.00387   0.00883  -1.74221
   D360       1.60351   0.00008  -0.00292   0.00046  -0.00249   1.60102
   D361      -2.50713   0.00003  -0.00568   0.00135  -0.00436  -2.51149
   D362       1.65364  -0.00004   0.00072   0.00165   0.00234   1.65598
   D363      -2.45700  -0.00009  -0.00204   0.00254   0.00047  -2.45653
   D364       2.72018  -0.00003  -0.00539   0.00050  -0.00493   2.71524
   D365      -1.39046  -0.00008  -0.00815   0.00139  -0.00680  -1.39726
   D366       2.58846  -0.00001   0.00935   0.00331   0.01278   2.60124
   D367      -1.52218  -0.00007   0.00659   0.00420   0.01091  -1.51127
   D368       0.03105  -0.00001   0.00481   0.00067   0.00550   0.03654
   D369      -2.95467   0.00001   0.00884   0.00397   0.01281  -2.94185
   D370       0.41892   0.00000   0.00424   0.00089   0.00513   0.42405
   D371      -2.56679   0.00002   0.00826   0.00418   0.01245  -2.55435
   D372       0.58151   0.00001   0.00502   0.00110   0.00613   0.58763
   D373      -2.40421   0.00003   0.00905   0.00439   0.01344  -2.39077
   D374       0.87047   0.00000   0.00421   0.00092   0.00514   0.87561
   D375      -2.11524   0.00002   0.00824   0.00421   0.01246  -2.10278
   D376       0.71149  -0.00001   0.00350   0.00066   0.00416   0.71565
   D377      -2.27422   0.00001   0.00753   0.00395   0.01148  -2.26275
   D378       1.03345   0.00000   0.00382   0.00073   0.00455   1.03800
   D379      -1.95226   0.00002   0.00785   0.00402   0.01187  -1.94039
   D380      -2.88809   0.00004   0.00777   0.00164   0.00945  -2.87864
   D381       0.40938   0.00006   0.01180   0.00494   0.01676   0.42614
   D382      -2.32999   0.00003   0.00962   0.00208   0.01171  -2.31828
   D383       0.96749   0.00005   0.01364   0.00538   0.01902   0.98651
   D384      -1.99985   0.00000   0.00633   0.00125   0.00759  -1.99226
   D385       1.29762   0.00002   0.01036   0.00454   0.01490   1.31253
   D386      -1.63888  -0.00002   0.00519   0.00097   0.00615  -1.63273
   D387       1.65859   0.00000   0.00921   0.00426   0.01347   1.67205
   D388      -1.80371   0.00000   0.01482   0.00315   0.01789  -1.78582
   D389       1.49376   0.00002   0.01885   0.00645   0.02520   1.51896
   D390      -0.98510  -0.00009   0.00566   0.00083   0.00649  -0.97861
   D391       2.31237  -0.00007   0.00968   0.00412   0.01381   2.32618
   D392       1.77486  -0.00002   0.00408   0.00081   0.00490   1.77976
   D393      -1.21085   0.00000   0.00811   0.00411   0.01221  -1.19864
   D394       2.07204  -0.00001   0.00360   0.00071   0.00432   2.07636
   D395      -0.91367   0.00001   0.00763   0.00400   0.01163  -0.90204
   D396       2.00828   0.00001   0.00289   0.00062   0.00351   2.01178
   D397      -0.97743   0.00002   0.00692   0.00391   0.01082  -0.96661
   D398       2.19201   0.00002   0.00322   0.00059   0.00382   2.19583
   D399      -0.79371   0.00003   0.00725   0.00389   0.01114  -0.78257
   D400       2.47935  -0.00001   0.00367   0.00068   0.00436   2.48371
   D401      -0.50637   0.00001   0.00770   0.00397   0.01167  -0.49469
   D402      -1.36483   0.00008  -0.00528  -0.00148  -0.00676  -1.37159
   D403       1.93265   0.00010  -0.00125   0.00181   0.00055   1.93320
   D404      -2.50198  -0.00012  -0.00521  -0.00128  -0.00657  -2.50855
   D405       0.79549  -0.00010  -0.00119   0.00202   0.00074   0.79624
   D406      -2.94890  -0.00009   0.00459   0.00066   0.00547  -2.94342
   D407       0.34858  -0.00007   0.00861   0.00396   0.01279   0.36136
   D408       1.84310   0.00000  -0.00802  -0.00125  -0.00916   1.83394
   D409       2.32210   0.00003  -0.00815  -0.00083  -0.00888   2.31322
   D410       2.54428   0.00002  -0.01039  -0.00124  -0.01155   2.53272
   D411       2.79961   0.00001  -0.01210  -0.00160  -0.01364   2.78597
   D412       2.72462   0.00010  -0.00532  -0.00011  -0.00533   2.71929
   D413      -3.08000   0.00009  -0.00815  -0.00053  -0.00865  -3.08865
   D414      -0.81537   0.00000  -0.01071  -0.00137  -0.01202  -0.82739
   D415      -0.43576   0.00000  -0.01099  -0.00141  -0.01235  -0.44811
   D416      -0.12287   0.00001  -0.01040  -0.00131  -0.01165  -0.13452
   D417       0.18663   0.00001  -0.01058  -0.00136  -0.01189   0.17475
   D418      -0.30166  -0.00002  -0.01200  -0.00163  -0.01358  -0.31524
   D419       0.02213  -0.00004  -0.01222  -0.00182  -0.01399   0.00814
   D420      -2.61610   0.00001  -0.01103  -0.00138  -0.01236  -2.62846
   D421      -2.23606   0.00001  -0.01096  -0.00136  -0.01227  -2.24832
   D422      -2.00462   0.00002  -0.01180  -0.00142  -0.01318  -2.01781
   D423      -1.68475   0.00001  -0.01202  -0.00155  -0.01354  -1.69830
   D424      -2.00762   0.00000  -0.01004  -0.00134  -0.01131  -2.01893
   D425       1.48387  -0.00004  -0.02248  -0.00367  -0.02613   1.45774
   D426       2.59990  -0.00010  -0.02018  -0.00350  -0.02369   2.57620
   D427       2.98399  -0.00011  -0.01633  -0.00264  -0.01898   2.96501
   D428      -3.10133   0.00002  -0.00066   0.00016  -0.00050  -3.10183
   D429       0.01614   0.00000   0.00691  -0.00047   0.00644   0.02258
   D430       0.02197  -0.00006   0.00045  -0.00011   0.00034   0.02232
   D431       3.13944  -0.00008   0.00802  -0.00075   0.00728  -3.13646
   D432       0.03827  -0.00004   0.00372  -0.00189   0.00183   0.04011
   D433       2.13086  -0.00003   0.00345  -0.00176   0.00168   2.13254
   D434      -2.06769  -0.00003   0.00325  -0.00168   0.00157  -2.06612
   D435      -3.08031  -0.00002  -0.00350  -0.00128  -0.00478  -3.08509
   D436      -0.98772  -0.00001  -0.00378  -0.00116  -0.00494  -0.99266
   D437       1.09691  -0.00002  -0.00398  -0.00107  -0.00504   1.09187
   D438      -2.39705   0.00001  -0.00545   0.00103  -0.00443  -2.40149
   D439      -0.30553   0.00000  -0.00546   0.00083  -0.00464  -0.31017
   D440       1.80105   0.00001  -0.00555   0.00094  -0.00461   1.79644
   D441       0.72156   0.00000   0.00176   0.00042   0.00217   0.72374
   D442       2.81309  -0.00002   0.00175   0.00022   0.00197   2.81506
   D443      -1.36351   0.00000   0.00166   0.00033   0.00199  -1.36152
   D444      -0.01278   0.00000  -0.00097   0.00004  -0.00093  -0.01372
   D445       3.11748   0.00000  -0.00022   0.00007  -0.00015   3.11733
   D446      -3.13326   0.00000  -0.00094  -0.00013  -0.00107  -3.13434
   D447      -0.00300   0.00000  -0.00019  -0.00010  -0.00029  -0.00330
   D448       2.43129  -0.00001  -0.00119  -0.00052  -0.00171   2.42958
   D449      -1.76639   0.00000  -0.00137  -0.00053  -0.00191  -1.76829
   D450       0.34022  -0.00001  -0.00132  -0.00056  -0.00188   0.33834
   D451      -0.69952  -0.00001  -0.00191  -0.00055  -0.00245  -0.70197
   D452       1.38598  -0.00001  -0.00209  -0.00056  -0.00265   1.38334
   D453      -2.79060  -0.00001  -0.00203  -0.00059  -0.00262  -2.79322
   D454       2.07127   0.00001   0.00163   0.00064   0.00227   2.07354
   D455      -2.12631   0.00001   0.00166   0.00066   0.00232  -2.12399
   D456      -0.03339   0.00001   0.00190   0.00063   0.00253  -0.03086
   D457      -1.08112   0.00001   0.00235   0.00067   0.00302  -1.07810
   D458       1.00449   0.00002   0.00237   0.00069   0.00307   1.00756
   D459       3.09741   0.00002   0.00261   0.00066   0.00327   3.10069
   D460      -3.06716  -0.00003   0.00086  -0.00005   0.00081  -3.06635
   D461      -0.02976  -0.00001   0.00137   0.00024   0.00162  -0.02814
   D462       0.08849   0.00000   0.00089  -0.00008   0.00081   0.08930
   D463       3.12589   0.00001   0.00140   0.00021   0.00161   3.12751
   D464       1.91045   0.00001  -0.00056   0.00011  -0.00044   1.91001
   D465      -2.29019   0.00002  -0.00060   0.00035  -0.00026  -2.29045
   D466      -0.19739   0.00001  -0.00049   0.00028  -0.00022  -0.19761
   D467      -1.13117   0.00000  -0.00106  -0.00016  -0.00122  -1.13238
   D468       0.95138   0.00001  -0.00110   0.00008  -0.00103   0.95034
   D469       3.04417   0.00000  -0.00099   0.00001  -0.00099   3.04318
   D470      -1.63565   0.00000   0.00030   0.00019   0.00049  -1.63516
   D471       0.46868   0.00002   0.00065   0.00007   0.00072   0.46940
   D472       2.56050   0.00000   0.00023   0.00017   0.00041   2.56091
   D473       1.40633   0.00001   0.00079   0.00047   0.00125   1.40758
   D474      -2.77253   0.00003   0.00113   0.00035   0.00148  -2.77105
   D475      -0.68070   0.00001   0.00072   0.00045   0.00117  -0.67953
   D476      -0.01077   0.00017  -0.00874   0.00138  -0.00736  -0.01813
   D477       3.12323   0.00028  -0.01441   0.00479  -0.00957   3.11366
   D478       3.10150   0.00028  -0.00893   0.00129  -0.00764   3.09385
   D479      -0.04768   0.00039  -0.01460   0.00470  -0.00985  -0.05753
   D480      -0.05615  -0.00006  -0.00756  -0.00241  -0.00997  -0.06612
   D481       2.05015  -0.00023  -0.00783  -0.00271  -0.01053   2.03961
   D482      -2.16518   0.00011  -0.00570  -0.00164  -0.00738  -2.17256
   D483       3.09270  -0.00016  -0.00209  -0.00568  -0.00790   3.08481
   D484      -1.08419  -0.00033  -0.00236  -0.00598  -0.00846  -1.09265
   D485       0.98367   0.00000  -0.00024  -0.00491  -0.00531   0.97836
   D486       0.27676  -0.00049  -0.05060  -0.01471  -0.06536   0.21140
   D487       2.35017  -0.00006  -0.04117  -0.01236  -0.05357   2.29660
   D488      -1.84658  -0.00007  -0.04282  -0.01416  -0.05703  -1.90361
   D489      -2.87198  -0.00039  -0.05589  -0.01150  -0.06745  -2.93942
   D490      -0.79856   0.00004  -0.04647  -0.00915  -0.05566  -0.85422
   D491       1.28788   0.00002  -0.04812  -0.01094  -0.05912   1.22875
         Item               Value     Threshold  Converged?
 Maximum Force            0.000490     0.000450     NO 
 RMS     Force            0.000066     0.000300     YES
 Maximum Displacement     0.132698     0.001800     NO 
 RMS     Displacement     0.009344     0.001200     NO 
 Predicted change in Energy=-1.365672D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:30:22 2016, MaxMem=  2952790016 cpu:        10.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.886467   -0.652166    1.712951
      2          6           0       -2.192487    0.972303   -1.433779
      3          8           0       -2.616658   -0.000742   -2.079997
      4          7           0       -0.941163    1.090826   -0.910577
      5          1           0       -2.831028    1.849845   -1.208248
      6          6           0       -0.545534    2.256938   -0.119544
      7          1           0       -1.403358    2.933973   -0.008077
      8          1           0       -0.208330    1.929412    0.877109
      9          1           0        0.283814    2.790646   -0.612244
     10          6           0        0.068548    0.046329   -1.094646
     11          1           0        0.604980   -0.110922   -0.146635
     12          1           0       -0.424785   -0.887046   -1.395860
     13          1           0        0.797994    0.343905   -1.866425
     14          6           0       -1.961562   -4.082880    2.642069
     15          8           0       -2.138908   -3.935210    3.863288
     16          7           0       -2.870716   -3.795001    1.671297
     17          1           0       -1.004214   -4.456150    2.227921
     18          6           0       -4.202893   -3.278268    1.994910
     19          1           0       -4.465808   -2.490972    1.270569
     20          1           0       -4.956551   -4.081091    1.935040
     21          1           0       -4.195068   -2.858564    3.009388
     22          6           0       -2.563419   -3.973245    0.252052
     23          1           0       -3.251233   -4.708600   -0.196726
     24          1           0       -2.680960   -3.013617   -0.278117
     25          1           0       -1.528010   -4.323545    0.138472
     26          6           0        1.512019    0.354667    2.621145
     27          8           0        1.361096    1.367895    3.324335
     28          7           0        1.133741   -0.907120    2.963011
     29          1           0        1.972128    0.400416    1.614313
     30          6           0        1.436468   -2.055235    2.108003
     31          1           0        2.205465   -2.692059    2.576899
     32          1           0        0.527154   -2.659665    1.962775
     33          1           0        1.796354   -1.702014    1.131965
     34          6           0        0.519618   -1.189799    4.262561
     35          1           0        1.283159   -1.499546    4.996585
     36          1           0        0.009314   -0.288658    4.625374
     37          1           0       -0.208512   -2.005704    4.144168
     38          6           0       -4.427477    1.544911    2.776723
     39          8           0       -4.598905    2.324608    1.825792
     40          7           0       -3.375065    1.559690    3.640842
     41          1           0       -5.133556    0.716667    2.993983
     42          6           0       -2.278598    2.521694    3.523239
     43          1           0       -2.426709    3.133688    2.625839
     44          1           0       -2.249478    3.167823    4.416873
     45          1           0       -1.321835    1.979099    3.458776
     46          6           0       -3.289220    0.611693    4.752702
     47          1           0       -4.040015   -0.180838    4.624310
     48          1           0       -2.286243    0.155438    4.767261
     49          1           0       -3.452319    1.126322    5.714230
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.554499   0.000000
     3  O    3.917140   1.242713   0.000000
     4  N    3.288543   1.361470   2.316538   0.000000
     5  H    3.960512   1.108457   2.056836   2.058230   0.000000
     6  C    3.690397   2.467783   3.637314   1.463582   2.564076
     7  H    4.006960   2.550196   3.791768   2.103645   2.157310
     8  H    3.190505   3.192670   4.274345   2.106203   3.351655
     9  H    4.687174   3.180150   4.284727   2.116355   3.307955
    10  C    3.491788   2.466723   2.860676   1.464367   3.416594
    11  H    3.155680   3.264344   3.758854   2.101990   4.096069
    12  H    3.443311   2.565812   2.461278   2.100982   3.649079
    13  H    4.583713   3.086267   3.438640   2.120426   3.983824
    14  C    3.555094   6.497749   6.276217   6.358438   7.125877
    15  O    3.932690   7.221183   7.143593   7.034587   7.724400
    16  N    3.293614   5.729632   5.341643   5.853251   6.337005
    17  H    3.938764   6.654935   6.403811   6.373624   7.410134
    18  C    3.513081   5.819364   5.464721   6.178164   6.199981
    19  H    3.198423   4.947299   4.565840   5.478120   5.259252
    20  H    4.607848   6.672765   6.184243   7.139300   7.040888
    21  H    3.446531   6.199000   6.046516   6.446060   6.466696
    22  C    3.690807   5.238136   4.606741   5.443182   6.009365
    23  H    4.686588   5.909645   5.110119   6.283259   6.649281
    24  H    3.189361   4.178723   3.511171   4.502594   4.953880
    25  H    4.010798   5.564128   4.979296   5.546197   6.451531
    26  C    3.658994   5.526957   6.266820   4.362693   5.980122
    27  O    4.150165   5.951815   6.848540   4.828213   6.192777
    28  N    3.278614   5.824757   6.349721   4.827183   6.381195
    29  H    4.000802   5.192489   5.904728   3.916503   5.756561
    30  C    3.628576   5.905889   6.179653   4.966150   6.667735
    31  H    4.653115   6.989641   7.223762   6.031083   7.766755
    32  H    3.149290   5.667823   5.770392   4.947553   6.455110
    33  H    3.873357   5.444802   5.717141   4.412020   6.285297
    34  C    3.546661   6.669220   7.174826   5.839219   7.099015
    35  H    4.641857   7.716200   8.217846   6.822917   8.163633
    36  H    3.494043   6.568965   7.206985   5.783868   6.831682
    37  H    3.249371   6.627079   6.968448   5.972915   7.098676
    38  C    3.523562   4.801186   5.408866   5.094777   4.303675
    39  O    4.028801   4.271344   4.959006   4.731703   3.543471
    40  N    3.290136   5.243595   5.978137   5.182579   4.888132
    41  H    3.749445   5.321684   5.709179   5.741232   4.923867
    42  C    3.674819   5.194233   6.154122   4.847147   4.810772
    43  H    3.931656   4.605100   5.657351   4.345845   4.063489
    44  H    4.694176   6.249295   7.237676   5.865776   5.806656
    45  H    3.207845   5.070381   6.022818   4.474950   4.906677
    46  C    3.578427   6.293283   6.892981   6.149444   6.105397
    47  H    3.651839   6.437666   6.856100   6.469543   6.293175
    48  H    3.184471   6.255315   6.857004   5.909486   6.234942
    49  H    4.650285   7.259817   7.919506   7.084859   6.987860
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098483   0.000000
     8  H    1.101952   1.794656   0.000000
     9  H    1.102458   1.797807   1.789442   0.000000
    10  C    2.492932   3.418425   2.740526   2.794696   0.000000
    11  H    2.632713   3.650207   2.423322   2.956186   1.100551
    12  H    3.395320   4.181356   3.625697   3.826432   1.097860
    13  H    2.918280   3.873999   3.324681   2.797122   1.102854
    14  C    7.058678   7.521375   6.506655   7.929540   5.927457
    15  O    7.532894   7.919228   6.858439   8.434281   6.731020
    16  N    6.726035   7.088902   6.363014   7.650906   5.571851
    17  H    7.126467   7.731295   6.575221   7.889335   5.697595
    18  C    6.963167   7.102203   6.657773   7.984955   6.232456
    19  H    6.312180   6.359526   6.149856   7.348427   5.708987
    20  H    7.990557   8.100124   7.732462   9.009486   7.173996
    21  H    7.019806   7.102972   6.585241   8.067847   6.592413
    22  C    6.559354   7.008785   6.385805   7.389449   4.989772
    23  H    7.472983   7.865059   7.380758   8.301078   5.868267
    24  H    5.688932   6.089254   5.646414   6.526177   4.194018
    25  H    6.658423   7.260068   6.433244   7.379566   4.813043
    26  C    3.919635   4.697346   2.912230   4.230518   3.998222
    27  O    4.035584   4.604321   2.960965   4.322199   4.790053
    28  N    4.725820   5.478890   3.768031   5.213281   4.302125
    29  H    3.576528   4.521611   2.763276   3.677112   3.329782
    30  C    5.242627   6.118383   4.483065   5.675466   4.067522
    31  H    6.271473   7.166446   5.483948   6.627475   5.054248
    32  H    5.446072   6.236980   4.772760   6.032895   4.108594
    33  H    4.766971   5.747193   4.155835   5.051141   3.316596
    34  C    5.676037   6.240327   4.660544   6.297878   5.516443
    35  H    6.605306   7.205561   5.563486   7.131858   6.400633
    36  H    5.413148   5.818064   4.360814   6.081949   5.730127
    37  H    6.038455   6.562713   5.114569   6.772799   5.633185
    38  C    4.895388   4.339343   4.643013   5.935757   6.119435
    39  O    4.496524   3.734424   4.509249   5.477422   5.958576
    40  N    4.757405   4.369312   4.219375   5.743813   6.047609
    41  H    5.754688   5.276664   5.496341   6.830385   6.650423
    42  C    4.042707   3.661449   3.411570   4.872423   5.741201
    43  H    3.441604   2.832780   3.070756   4.236719   5.440597
    44  H    4.930743   4.511185   4.269646   5.643745   6.744910
    45  H    3.672085   3.596873   2.812003   4.450833   5.138327
    46  C    5.828673   5.622675   5.123328   6.804193   6.766514
    47  H    6.376387   6.173574   5.759903   7.412605   7.045449
    48  H    5.597074   5.594962   4.753734   6.518327   6.318140
    49  H    6.615181   6.341186   5.879299   7.533455   7.741039
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795369   0.000000
    13  H    1.789358   1.797738   0.000000
    14  C    5.490032   5.374003   6.894787   0.000000
    15  O    6.183331   6.315707   7.730837   1.242834   0.000000
    16  N    5.381243   4.883260   6.565474   1.360821   2.315173
    17  H    5.206634   5.119183   6.561415   1.107865   2.057507
    18  C    6.142796   5.611538   7.282782   2.467748   2.860497
    19  H    5.778062   5.100225   6.751658   3.269011   3.771270
    20  H    7.143266   6.467900   8.194298   3.077313   3.417387
    21  H    6.367925   6.124388   7.678543   2.573407   2.473076
    22  C    5.011511   4.100487   5.867267   2.467070   3.636301
    23  H    6.000961   4.902142   6.686699   3.180179   4.280084
    24  H    4.386380   3.295752   5.089087   3.191918   4.277194
    25  H    4.730447   3.921837   5.587039   2.552231   3.794504
    26  C    2.949593   4.629189   4.544033   5.635425   5.768469
    27  O    3.847888   5.527601   5.320680   6.420007   6.376788
    28  N    3.253217   4.629165   5.000125   4.446274   4.548633
    29  H    2.287246   4.057572   3.673870   6.052284   6.384055
    30  C    3.091135   4.135938   4.686107   3.992890   4.404389
    31  H    4.079394   5.095007   5.562480   4.393488   4.698276
    32  H    3.309344   3.915200   4.874173   2.946300   3.513809
    33  H    2.363421   3.462301   3.764684   4.697964   5.285223
    34  C    4.540074   5.744675   6.324098   4.141517   3.842454
    35  H    5.370374   6.644967   7.122823   4.769231   4.350559
    36  H    4.812326   6.066447   6.570055   4.713170   4.300346
    37  H    4.760563   5.655977   6.531535   3.105503   2.743778
    38  C    6.050903   6.272671   7.092728   6.145803   6.037374
    39  O    6.074759   6.173900   6.832436   6.976947   7.027681
    40  N    5.742533   6.329221   7.015878   5.902045   5.636620
    41  H    6.593875   6.634391   7.677618   5.763770   5.600318
    42  C    5.358513   6.265275   6.576980   6.670634   6.467360
    43  H    5.235002   6.028936   6.193710   7.231561   7.182160
    44  H    6.302675   7.318425   7.532692   7.470309   7.125430
    45  H    4.591273   5.708500   5.960310   6.150109   5.984169
    46  C    6.300037   6.946655   7.783950   5.315680   4.773740
    47  H    6.659038   7.057696   8.112419   4.845119   4.276525
    48  H    5.707582   6.521952   7.318048   4.752388   4.191929
    49  H    7.234790   7.985800   8.726035   6.228669   5.547083
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056886   0.000000
    18  C    1.465071   3.416614   0.000000
    19  H    2.098903   4.094030   1.101648   0.000000
    20  H    2.121819   3.980882   1.102774   1.791878   0.000000
    21  H    2.102691   3.653016   1.097897   1.797752   1.796845
    22  C    1.463031   2.562885   2.491671   2.617938   2.927655
    23  H    2.113993   3.315380   2.784740   2.923358   2.801126
    24  H    2.108739   3.342545   2.748267   2.420180   3.349012
    25  H    2.105177   2.158181   3.419644   3.642887   3.878316
    26  C    6.109854   5.443346   6.800780   6.756932   7.873315
    27  O    6.877228   6.380934   7.369679   7.284341   8.457792
    28  N    5.103338   4.207948   5.919394   6.060355   6.944241
    29  H    6.407644   5.728993   7.197809   7.065784   8.257927
    30  C    4.665761   3.425741   5.771567   5.977292   6.708554
    31  H    5.272970   3.679109   6.461378   6.800943   7.323651
    32  H    3.594366   2.375447   4.770434   5.043538   5.665001
    33  H    5.143249   4.077937   6.262604   6.313188   7.204628
    34  C    4.999609   4.138945   5.639685   5.958149   6.615538
    35  H    5.794940   4.651782   6.501590   6.922192   7.414270
    36  H    5.414388   4.913554   5.796534   6.010959   6.802960
    37  H    4.050186   3.210893   4.711031   5.159227   5.633059
    38  C    5.670990   6.930559   4.891291   4.307937   5.713164
    39  O    6.360827   7.685194   5.619399   4.849309   6.416605
    40  N    5.727669   6.618732   5.176894   4.818275   6.101579
    41  H    5.217767   6.663059   4.221823   3.702025   4.916419
    42  C    6.609155   7.210562   6.299068   5.914831   7.300039
    43  H    7.008211   7.732236   6.683269   6.134451   7.676610
    44  H    7.510329   8.029145   7.157781   6.843487   8.126161
    45  H    6.239739   6.559597   6.171167   5.886795   7.229027
    46  C    5.393436   6.105637   4.855101   4.810004   5.722013
    47  H    4.811416   5.765160   4.066245   4.094581   4.825368
    48  H    5.052976   5.418356   4.811425   4.897024   5.753277
    49  H    6.395545   7.022219   5.813529   5.818771   6.607733
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.392300   0.000000
    23  H    3.820030   1.102378   0.000000
    24  H    3.622741   1.102624   1.790196   0.000000
    25  H    4.183483   1.098946   1.797254   1.794088   0.000000
    26  C    6.560977   6.399423   7.501042   6.110002   6.106645
    27  O    6.988068   7.305376   8.402097   6.965165   7.133663
    28  N    5.675076   5.515380   6.607813   5.430855   5.170581
    29  H    7.113472   6.446383   7.527643   6.073561   6.061756
    30  C    5.759516   4.808576   5.858895   4.854407   4.220475
    31  H    6.417288   5.457894   6.444764   5.668480   4.748317
    32  H    4.840902   3.768780   4.810175   3.929233   3.212519
    33  H    6.384313   4.994032   6.023546   4.873907   4.348661
    34  C    5.155917   5.773809   6.818102   5.847030   5.569673
    35  H    5.983882   6.589836   7.604552   6.769721   6.283224
    36  H    5.185813   6.270653   7.308879   6.221512   6.227036
    37  H    4.231752   4.956347   5.950392   5.165800   4.812387
    38  C    4.415737   6.348127   7.023628   5.758693   7.057341
    39  O    5.331909   6.803148   7.441291   6.049925   7.515011
    40  N    4.537852   6.538810   7.350763   6.062603   7.091591
    41  H    3.696386   6.009914   6.569421   5.535060   6.823317
    42  C    5.734463   7.277775   8.189096   6.726951   7.673156
    43  H    6.259496   7.494135   8.375452   6.803452   7.912331
    44  H    6.487193   8.272796   9.182965   7.774272   8.657126
    45  H    5.644501   6.874228   7.861971   6.382695   7.126728
    46  C    3.987779   6.465624   7.266622   6.230729   6.982088
    47  H    3.130851   5.973218   6.660720   5.822839   6.602646
    48  H    3.977177   6.124538   7.016497   5.971143   6.485514
    49  H    4.873106   7.525365   8.308198   7.324091   8.030760
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242532   0.000000
    28  N    1.360909   2.314722   0.000000
    29  H    1.107927   2.057559   2.057068   0.000000
    30  C    2.465086   3.633589   1.463165   2.561423   0.000000
    31  H    3.124958   4.213650   2.117470   3.247217   1.103071
    32  H    3.238766   4.332499   2.107092   3.401981   1.101489
    33  H    2.555081   3.797404   2.103246   2.164202   1.098605
    34  C    2.462617   2.851343   1.464884   3.413472   2.496340
    35  H    3.022119   3.320349   2.123374   3.940089   2.945539
    36  H    2.586296   2.502835   2.100067   3.659774   3.390387
    37  H    3.294112   3.810113   2.098490   4.116402   2.618087
    38  C    6.059579   5.817111   6.080650   6.604241   6.913326
    39  O    6.469672   6.219529   6.678366   6.850234   7.462466
    40  N    5.135704   4.750598   5.184008   5.834655   6.210324
    41  H    6.665863   6.535575   6.474308   7.245291   7.185654
    42  C    4.458538   3.823373   4.869772   5.119813   6.062416
    43  H    4.820432   4.237143   5.396167   5.276715   6.489778
    44  H    5.028653   4.179668   5.492272   5.773633   6.796868
    45  H    3.372111   2.754952   3.821766   4.092000   5.070372
    46  C    5.259420   4.923160   5.007232   6.129918   6.036477
    47  H    5.926595   5.767193   5.482258   6.748615   6.311659
    48  H    4.367185   4.105504   4.010067   5.304226   5.081073
    49  H    5.899770   5.379491   5.721542   6.838193   6.857654
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787436   0.000000
    33  H    1.798721   1.793937   0.000000
    34  C    2.817857   2.729391   3.419510   0.000000
    35  H    2.850897   3.334880   3.903800   1.103508   0.000000
    36  H    3.846513   3.602675   4.170731   1.097314   1.796310
    37  H    2.958834   2.393187   3.631127   1.099950   1.791059
    38  C    7.873230   6.548995   7.209980   5.844664   6.841627
    39  O    8.487082   7.151099   7.589099   6.669946   7.699140
    40  N    7.095890   5.987167   6.608838   4.807783   5.735505
    41  H    8.102753   6.671330   7.572370   6.099367   7.077870
    42  C    6.941584   6.095389   6.337439   4.706569   5.570209
    43  H    7.443034   6.536658   6.591656   5.481993   6.391433
    44  H    7.587505   6.905932   7.132650   5.165325   5.882170
    45  H    5.919397   5.212955   5.356093   3.752190   4.609970
    46  C    6.770557   5.748928   6.657780   4.241798   5.042168
    47  H    7.035918   5.838440   6.969480   4.683921   5.496705
    48  H    5.751639   4.868793   5.773482   3.152338   3.941090
    49  H    7.512216   6.651565   7.519655   4.821622   5.462138
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796456   0.000000
    38  C    5.144376   5.681235   0.000000
    39  O    5.991870   6.588021   1.241606   0.000000
    40  N    3.979914   4.795042   1.361797   2.318899   0.000000
    41  H    5.488282   5.743717   1.109837   2.058154   2.054606
    42  C    3.787786   5.016785   2.475696   2.881665   1.463394
    43  H    4.652398   5.799920   2.559307   2.452167   2.099305
    44  H    4.134353   5.568239   3.172950   3.597850   2.110749
    45  H    2.876739   4.193793   3.209163   3.677663   2.103522
    46  C    3.421574   4.088011   2.463944   3.635403   1.463660
    47  H    4.050765   4.270959   2.557717   3.797542   2.106847
    48  H    2.342421   3.061983   3.236937   4.325038   2.103872
    49  H    3.894956   4.774616   3.123316   4.227352   2.119603
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418921   0.000000
    43  H    3.647540   1.096267   0.000000
    44  H    4.043599   1.103138   1.800106   0.000000
    45  H    4.042152   1.101799   1.802112   1.786488   0.000000
    46  C    2.550625   2.486169   3.409976   2.779864   2.722985
    47  H    2.158544   3.408610   4.193177   3.802970   3.662281
    48  H    3.400984   2.673353   3.670885   3.032918   2.442940
    49  H    3.223992   2.850461   3.823553   2.701423   3.217650
                   46         47         48         49
    46  C    0.000000
    47  H    1.099220   0.000000
    48  H    1.101973   1.791434   0.000000
    49  H    1.102716   1.800550   1.788603   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2159955      0.1874126      0.1837253
 Leave Link  202 at Mon Nov 14 00:30:23 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1845.3452406637 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1833081905 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1845.1619324732 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4049
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.24D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     226
 GePol: Fraction of low-weight points (<1% of avg)   =       5.58%
 GePol: Cavity surface area                          =    468.359 Ang**2
 GePol: Cavity volume                                =    458.311 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040250005 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1845.1579074727 Hartrees.
 Leave Link  301 at Mon Nov 14 00:30:23 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:30:24 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:30:24 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000669    0.002578    0.002282
         Rot=    1.000000   -0.000310    0.000195   -0.000340 Ang=  -0.06 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50875357824    
 Leave Link  401 at Mon Nov 14 00:30:31 2016, MaxMem=  2952790016 cpu:        79.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49183203.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.19D-14 for   2511.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.62D-15 for   2621   1487.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.66D-15 for   2862.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.02D-11 for   2619   2468.
 E= -1013.44943411597    
 DIIS: error= 9.54D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44943411597     IErMin= 1 ErrMin= 9.54D-04
 ErrMax= 9.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.07D-04 BMatP= 6.07D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.54D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.26D-04 MaxDP=7.86D-03              OVMax= 1.07D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.26D-04    CP:  1.00D+00
 E= -1013.45057350071     Delta-E=       -0.001139384739 Rises=F Damp=F
 DIIS: error= 7.58D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45057350071     IErMin= 2 ErrMin= 7.58D-05
 ErrMax= 7.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.17D-06 BMatP= 6.07D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-01 0.988D+00
 Coeff:      0.120D-01 0.988D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.88D-05 MaxDP=1.28D-03 DE=-1.14D-03 OVMax= 1.53D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.86D-05    CP:  1.00D+00  9.81D-01
 E= -1013.45055766835     Delta-E=        0.000015832364 Rises=F Damp=F
 DIIS: error= 1.81D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45057350071     IErMin= 2 ErrMin= 7.58D-05
 ErrMax= 1.81D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-05 BMatP= 5.17D-06
 IDIUse=3 WtCom= 4.26D-01 WtEn= 5.74D-01
 Coeff-Com:  0.196D-02 0.700D+00 0.298D+00
 Coeff-En:   0.000D+00 0.776D+00 0.224D+00
 Coeff:      0.834D-03 0.744D+00 0.255D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.18D-05 MaxDP=8.89D-04 DE= 1.58D-05 OVMax= 1.17D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.93D-06    CP:  1.00D+00  9.87D-01  4.54D-01
 E= -1013.45057788903     Delta-E=       -0.000020220683 Rises=F Damp=F
 DIIS: error= 2.33D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45057788903     IErMin= 4 ErrMin= 2.33D-05
 ErrMax= 2.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-07 BMatP= 5.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.100D-04 0.276D+00 0.101D+00 0.623D+00
 Coeff:     -0.100D-04 0.276D+00 0.101D+00 0.623D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.72D-06 MaxDP=1.32D-04 DE=-2.02D-05 OVMax= 1.64D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.81D-06    CP:  1.00D+00  9.89D-01  4.03D-01  7.00D-01
 E= -1013.45057810364     Delta-E=       -0.000000214611 Rises=F Damp=F
 DIIS: error= 1.53D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45057810364     IErMin= 5 ErrMin= 1.53D-05
 ErrMax= 1.53D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-07 BMatP= 3.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.806D-04 0.138D+00 0.466D-01 0.418D+00 0.397D+00
 Coeff:     -0.806D-04 0.138D+00 0.466D-01 0.418D+00 0.397D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.81D-07 MaxDP=6.84D-05 DE=-2.15D-07 OVMax= 8.40D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.42D-07    CP:  1.00D+00  9.89D-01  3.95D-01  7.21D-01  6.32D-01
 E= -1013.45057822211     Delta-E=       -0.000000118469 Rises=F Damp=F
 DIIS: error= 1.45D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45057822211     IErMin= 6 ErrMin= 1.45D-06
 ErrMax= 1.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-09 BMatP= 1.33D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.373D-04 0.501D-01 0.165D-01 0.163D+00 0.187D+00 0.583D+00
 Coeff:     -0.373D-04 0.501D-01 0.165D-01 0.163D+00 0.187D+00 0.583D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.65D-07 MaxDP=9.11D-06 DE=-1.18D-07 OVMax= 1.05D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.38D-07    CP:  1.00D+00  9.89D-01  3.97D-01  7.25D-01  6.25D-01
                    CP:  8.46D-01
 E= -1013.45057822391     Delta-E=       -0.000000001795 Rises=F Damp=F
 DIIS: error= 5.45D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45057822391     IErMin= 7 ErrMin= 5.45D-07
 ErrMax= 5.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.45D-10 BMatP= 2.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.996D-05 0.785D-02 0.258D-02 0.302D-01 0.445D-01 0.316D+00
 Coeff-Com:  0.599D+00
 Coeff:     -0.996D-05 0.785D-02 0.258D-02 0.302D-01 0.445D-01 0.316D+00
 Coeff:      0.599D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.86D-08 MaxDP=3.83D-06 DE=-1.79D-09 OVMax= 2.89D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.64D-08    CP:  1.00D+00  9.89D-01  3.97D-01  7.26D-01  6.25D-01
                    CP:  8.56D-01  7.78D-01
 E= -1013.45057822414     Delta-E=       -0.000000000233 Rises=F Damp=F
 DIIS: error= 8.66D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45057822414     IErMin= 8 ErrMin= 8.66D-08
 ErrMax= 8.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-11 BMatP= 3.45D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.418D-05 0.191D-02 0.669D-03 0.817D-02 0.138D-01 0.123D+00
 Coeff-Com:  0.278D+00 0.574D+00
 Coeff:     -0.418D-05 0.191D-02 0.669D-03 0.817D-02 0.138D-01 0.123D+00
 Coeff:      0.278D+00 0.574D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.66D-08 MaxDP=7.98D-07 DE=-2.33D-10 OVMax= 1.23D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.36D-08    CP:  1.00D+00  9.89D-01  3.97D-01  7.26D-01  6.27D-01
                    CP:  8.61D-01  7.72D-01  7.71D-01
 E= -1013.45057822421     Delta-E=       -0.000000000071 Rises=F Damp=F
 DIIS: error= 1.00D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45057822421     IErMin= 8 ErrMin= 8.66D-08
 ErrMax= 1.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.97D-12 BMatP= 1.18D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.200D-05 0.425D-03 0.177D-03 0.230D-02 0.480D-02 0.546D-01
 Coeff-Com:  0.140D+00 0.458D+00 0.340D+00
 Coeff:     -0.200D-05 0.425D-03 0.177D-03 0.230D-02 0.480D-02 0.546D-01
 Coeff:      0.140D+00 0.458D+00 0.340D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.77D-09 MaxDP=5.10D-07 DE=-7.09D-11 OVMax= 7.93D-07

 Error on total polarization charges =  0.04253
 SCF Done:  E(RB97D) =  -1013.45057822     A.U. after    9 cycles
            NFock=  9  Conv=0.88D-08     -V/T= 2.0213
 KE= 9.923550093823D+02 PE=-6.021634529069D+03 EE= 2.170671033990D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:32:18 2016, MaxMem=  2952790016 cpu:      1221.6
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 00:32:26 2016, MaxMem=  2952790016 cpu:        97.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:32:26 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:33:03 2016, MaxMem=  2952790016 cpu:       439.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.59560692D+00-3.00994816D+00 3.47289183D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000579333    0.001274555   -0.000352655
      2        6          -0.000140529   -0.000052796   -0.000168862
      3        8           0.000040214    0.000025849    0.000027245
      4        7           0.000147176    0.000005660   -0.000175144
      5        1           0.000023974   -0.000056142    0.000236871
      6        6           0.000063591   -0.000037966    0.000102906
      7        1           0.000061457    0.000029796   -0.000022829
      8        1           0.000053313    0.000009527    0.000062803
      9        1           0.000032729   -0.000042098   -0.000007095
     10        6           0.000094806   -0.000114493   -0.000022487
     11        1           0.000046264   -0.000089154    0.000041618
     12        1           0.000005705    0.000004613    0.000026247
     13        1           0.000031809    0.000004825    0.000045899
     14        6          -0.000076721    0.000008460   -0.000004826
     15        8          -0.000027950   -0.000013586   -0.000014754
     16        7          -0.000076201    0.000020449    0.000026636
     17        1          -0.000019582    0.000007874   -0.000015798
     18        6          -0.000003674    0.000024990   -0.000014322
     19        1          -0.000040154    0.000027145    0.000035787
     20        1          -0.000018961    0.000018505   -0.000046187
     21        1          -0.000018819    0.000026744   -0.000038250
     22        6          -0.000098708   -0.000007264    0.000093909
     23        1          -0.000003597    0.000033243   -0.000061005
     24        1          -0.000059176    0.000038777   -0.000017122
     25        1          -0.000009632    0.000002715   -0.000013845
     26        6           0.000053862   -0.000078759   -0.000007754
     27        8          -0.000082065    0.000011735    0.000032284
     28        7           0.000011297   -0.000058326    0.000024656
     29        1           0.000033732   -0.000016458    0.000045789
     30        6          -0.000054634   -0.000118688   -0.000041991
     31        1          -0.000012059    0.000028861    0.000073445
     32        1           0.000007667    0.000008286    0.000009423
     33        1           0.000025804   -0.000022234    0.000028391
     34        6          -0.000043091   -0.000040047    0.000064797
     35        1          -0.000030909   -0.000019066    0.000020201
     36        1          -0.000037735   -0.000011228   -0.000039641
     37        1          -0.000003434   -0.000033038    0.000020312
     38        6           0.000084517   -0.000218446    0.000298307
     39        8           0.000212267   -0.000173452   -0.000651866
     40        7          -0.000620192    0.000010326    0.000572533
     41        1          -0.000347783    0.000451512    0.000070307
     42        6          -0.000308264   -0.000561182    0.000669555
     43        1           0.000194552   -0.000074540   -0.000117740
     44        1          -0.000041330    0.000279484   -0.000296451
     45        1          -0.000031967    0.000131416   -0.000145443
     46        6           0.000715838   -0.000917468   -0.000469328
     47        1          -0.000218484    0.000275144    0.000159920
     48        1          -0.000062184   -0.000019156   -0.000051209
     49        1          -0.000032073    0.000015095    0.000006763
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001274555 RMS     0.000217913
 Leave Link  716 at Mon Nov 14 00:33:03 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000482405 RMS     0.000049657
 Search for a local minimum.
 Step number   6 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .49657D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    1    2    3    4    5
                                                      6
 DE= -1.01D-04 DEPred=-1.37D-05 R= 7.43D+00
 TightC=F SS=  1.41D+00  RLast= 2.27D-01 DXNew= 6.7748D-01 6.8178D-01
 Trust test= 7.43D+00 RLast= 2.27D-01 DXMaxT set to 6.77D-01
 ITU=  1  1  1  1  1  0
     Eigenvalues ---    0.00101   0.00343   0.00367   0.00379   0.00387
     Eigenvalues ---    0.00536   0.00685   0.00755   0.00769   0.00785
     Eigenvalues ---    0.00887   0.00905   0.01022   0.01026   0.01027
     Eigenvalues ---    0.01055   0.01226   0.01264   0.01352   0.01380
     Eigenvalues ---    0.01386   0.01393   0.01511   0.01534   0.01605
     Eigenvalues ---    0.01661   0.01764   0.01777   0.01859   0.01891
     Eigenvalues ---    0.01937   0.01972   0.02054   0.02113   0.02135
     Eigenvalues ---    0.02157   0.02268   0.02471   0.02823   0.02914
     Eigenvalues ---    0.03196   0.03620   0.03855   0.04167   0.04271
     Eigenvalues ---    0.04651   0.05049   0.05256   0.05625   0.05680
     Eigenvalues ---    0.06045   0.06080   0.06210   0.06258   0.06958
     Eigenvalues ---    0.07677   0.07728   0.07764   0.07978   0.08016
     Eigenvalues ---    0.08096   0.08185   0.08401   0.08477   0.08608
     Eigenvalues ---    0.08646   0.08719   0.08779   0.08936   0.09156
     Eigenvalues ---    0.09237   0.09675   0.09815   0.09978   0.10017
     Eigenvalues ---    0.10127   0.10323   0.10356   0.10523   0.10538
     Eigenvalues ---    0.10605   0.10745   0.10944   0.11337   0.11362
     Eigenvalues ---    0.11566   0.11778   0.12013   0.12967   0.13347
     Eigenvalues ---    0.13895   0.14504   0.14693   0.15308   0.15573
     Eigenvalues ---    0.15715   0.16667   0.22080   0.23186   0.23758
     Eigenvalues ---    0.24009   0.24622   0.25068   0.25382   0.26511
     Eigenvalues ---    0.26921   0.27572   0.27999   0.29249   0.29784
     Eigenvalues ---    0.29823   0.29963   0.32706   0.32740   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33381
     Eigenvalues ---    0.33385   0.33416   0.33420   0.33426   0.33687
     Eigenvalues ---    0.33792   0.33829   0.33830   0.33891   0.33915
     Eigenvalues ---    0.33942   0.33997   0.34121   0.37084   0.39559
     Eigenvalues ---    0.40725   0.41351   0.85943   0.85987   0.86093
     Eigenvalues ---    0.86700
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     6    5    4    3    2
 RFO step:  Lambda=-9.13093571D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  5.49D-05 SmlDif=  1.00D-05
 RMS Error=  0.3363499892D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.37202   -2.60596    1.83563   -0.62736    0.02567
 Iteration  1 RMS(Cart)=  0.01136968 RMS(Int)=  0.00038607
 Iteration  2 RMS(Cart)=  0.00035984 RMS(Int)=  0.00015993
 Iteration  3 RMS(Cart)=  0.00000026 RMS(Int)=  0.00015993
 ITry= 1 IFail=0 DXMaxC= 1.69D-01 DCOld= 1.00D+10 DXMaxT= 6.77D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.71703  -0.00009   0.00656  -0.00382   0.00275   6.71978
    R2        6.21445  -0.00002   0.00052   0.00040   0.00094   6.21538
    R3        6.97384  -0.00004   0.01087   0.00213   0.01298   6.98682
    R4        6.02918   0.00002   0.01053   0.00234   0.01289   6.04207
    R5        6.59852   0.00003  -0.00434  -0.00022  -0.00456   6.59396
    R6        5.96337   0.00002  -0.00329   0.00034  -0.00296   5.96041
    R7        6.71815   0.00000   0.00037   0.00043   0.00080   6.71895
    R8        6.22403  -0.00001   0.00095   0.00014   0.00107   6.22510
    R9        6.63876  -0.00001   0.00299  -0.00071   0.00228   6.64104
   R10        6.04414   0.00001   0.00055  -0.00064  -0.00010   6.04405
   R11        6.97461  -0.00002   0.00105  -0.00001   0.00104   6.97565
   R12        6.02702   0.00000  -0.00088  -0.00044  -0.00132   6.02570
   R13        6.91450  -0.00002  -0.00260  -0.00017  -0.00279   6.91171
   R14        6.19568   0.00001  -0.00159   0.00027  -0.00134   6.19435
   R15        6.85702   0.00005  -0.00115   0.00106  -0.00013   6.85689
   R16        5.95130   0.00002   0.00017   0.00118   0.00135   5.95265
   R17        6.70222  -0.00003  -0.00222  -0.00034  -0.00255   6.69967
   R18        6.65857   0.00001  -0.00411  -0.00011  -0.00395   6.65462
   R19        6.21746   0.00000   0.00100   0.00252   0.00324   6.22070
   R20        6.94440  -0.00027  -0.01572  -0.00602  -0.02178   6.92262
   R21        6.06195  -0.00002  -0.00586  -0.00318  -0.00897   6.05298
   R22        6.76225   0.00005   0.02592  -0.00023   0.02404   6.78628
   R23        6.01778  -0.00005  -0.04194  -0.02240  -0.06328   5.95450
   R24        2.34839  -0.00002  -0.00002   0.00001  -0.00001   2.34838
   R25        2.57281   0.00009  -0.00037   0.00023  -0.00020   2.57260
   R26        2.09468   0.00000   0.00032   0.00003   0.00035   2.09503
   R27        2.76577   0.00004  -0.00026   0.00015  -0.00010   2.76567
   R28        2.76725   0.00002  -0.00002   0.00011   0.00009   2.76734
   R29        2.07583  -0.00001   0.00005  -0.00007  -0.00001   2.07582
   R30        2.08239   0.00002   0.00005   0.00006   0.00013   2.08252
   R31        2.08334  -0.00001   0.00005  -0.00003   0.00002   2.08337
   R32        2.07974   0.00003  -0.00036   0.00008  -0.00028   2.07946
   R33        2.07466   0.00000  -0.00006   0.00001  -0.00004   2.07461
   R34        2.08409  -0.00002   0.00002  -0.00004  -0.00002   2.08407
   R35        2.34862   0.00000   0.00003  -0.00001   0.00001   2.34863
   R36        2.57158   0.00001   0.00000  -0.00001   0.00001   2.57159
   R37        2.09356   0.00000   0.00004   0.00001   0.00005   2.09361
   R38        2.76858  -0.00003   0.00009  -0.00014  -0.00004   2.76854
   R39        2.76473   0.00000   0.00020  -0.00011   0.00019   2.76492
   R40        2.08181  -0.00001  -0.00003  -0.00003  -0.00007   2.08175
   R41        2.08394   0.00000   0.00001   0.00000   0.00000   2.08394
   R42        2.07473   0.00000   0.00003   0.00005   0.00008   2.07480
   R43        2.08319   0.00000  -0.00003  -0.00001  -0.00004   2.08315
   R44        2.08366   0.00003  -0.00005   0.00008  -0.00004   2.08362
   R45        2.07671   0.00000   0.00001  -0.00001   0.00000   2.07671
   R46        2.34805   0.00004  -0.00003   0.00003   0.00000   2.34805
   R47        2.57174   0.00000   0.00008   0.00006   0.00015   2.57190
   R48        2.09368   0.00000   0.00000   0.00001   0.00001   2.09369
   R49        2.76498  -0.00002   0.00008   0.00005   0.00016   2.76514
   R50        2.76823   0.00002   0.00004   0.00005   0.00012   2.76835
   R51        2.08450   0.00000   0.00002  -0.00003  -0.00001   2.08449
   R52        2.08151  -0.00001   0.00014  -0.00005   0.00021   2.08172
   R53        2.07606   0.00000  -0.00009   0.00000  -0.00009   2.07598
   R54        2.08533   0.00000  -0.00002   0.00000  -0.00002   2.08531
   R55        2.07362   0.00000   0.00010   0.00000   0.00010   2.07373
   R56        2.07860  -0.00001  -0.00002  -0.00003  -0.00005   2.07855
   R57        2.34630   0.00034   0.00008   0.00011   0.00019   2.34649
   R58        2.57342   0.00009   0.00097  -0.00044   0.00077   2.57419
   R59        2.09729  -0.00008  -0.00066   0.00009  -0.00057   2.09672
   R60        2.76541   0.00006   0.00007  -0.00050  -0.00043   2.76498
   R61        2.76592  -0.00003  -0.00249  -0.00027  -0.00265   2.76327
   R62        2.07164   0.00003   0.00037   0.00006   0.00043   2.07207
   R63        2.08463  -0.00008  -0.00004  -0.00020  -0.00023   2.08440
   R64        2.08210  -0.00006   0.00009  -0.00026  -0.00009   2.08200
   R65        2.07722  -0.00008  -0.00029  -0.00033  -0.00062   2.07660
   R66        2.08243  -0.00007   0.00074  -0.00048   0.00203   2.08446
   R67        2.08383   0.00002   0.00022   0.00013   0.00035   2.08418
    A1        0.69419   0.00002  -0.00107   0.00008  -0.00100   0.69319
    A2        0.98071   0.00003  -0.00146   0.00004  -0.00143   0.97928
    A3        0.71509   0.00002  -0.00025   0.00031   0.00004   0.71513
    A4        1.00973   0.00003  -0.00028   0.00033   0.00003   1.00975
    A5        2.30578  -0.00001  -0.00135  -0.00027  -0.00163   2.30415
    A6        1.98141  -0.00001  -0.00092  -0.00021  -0.00113   1.98028
    A7        1.93469  -0.00002  -0.00009  -0.00013  -0.00022   1.93447
    A8        1.64173  -0.00002   0.00052  -0.00014   0.00040   1.64212
    A9        1.61584  -0.00001  -0.00115  -0.00022  -0.00140   1.61445
   A10        1.33283  -0.00002  -0.00103  -0.00023  -0.00128   1.33155
   A11        1.74563   0.00002  -0.00087   0.00016  -0.00073   1.74490
   A12        2.04023   0.00002  -0.00121   0.00013  -0.00110   2.03913
   A13        1.93044   0.00002  -0.00191   0.00007  -0.00186   1.92858
   A14        2.01256   0.00001  -0.00205  -0.00012  -0.00219   2.01037
   A15        2.44043   0.00003  -0.00071   0.00018  -0.00055   2.43988
   A16        1.49093  -0.00002   0.00641   0.00134   0.00782   1.49875
   A17        1.74421   0.00005   0.00384   0.00050   0.00435   1.74856
   A18        1.60301   0.00003  -0.00174  -0.00062  -0.00234   1.60066
   A19        1.69318   0.00000  -0.00075   0.00033  -0.00048   1.69271
   A20        2.16139   0.00004   0.00282   0.00065   0.00347   2.16485
   A21        2.37804   0.00002   0.00803   0.00211   0.01000   2.38804
   A22        0.66152   0.00002  -0.00064  -0.00002  -0.00066   0.66087
   A23        0.66329   0.00000   0.00008   0.00001   0.00009   0.66338
   A24        2.38335  -0.00001  -0.00102  -0.00030  -0.00132   2.38203
   A25        2.19145  -0.00001  -0.00076  -0.00013  -0.00090   2.19055
   A26        2.27808  -0.00001  -0.00033   0.00006  -0.00027   2.27780
   A27        2.01107   0.00000   0.00032   0.00010   0.00042   2.01149
   A28        1.78633  -0.00001  -0.00075  -0.00013  -0.00091   1.78543
   A29        1.53679  -0.00002  -0.00083  -0.00014  -0.00099   1.53580
   A30        1.35429   0.00000  -0.00046  -0.00010  -0.00056   1.35374
   A31        1.65148   0.00000  -0.00066  -0.00015  -0.00081   1.65067
   A32        1.59936  -0.00001  -0.00120  -0.00021  -0.00141   1.59795
   A33        1.75264  -0.00001  -0.00127  -0.00037  -0.00163   1.75100
   A34        2.04748   0.00001  -0.00028  -0.00009  -0.00037   2.04711
   A35        1.68873   0.00001   0.00740   0.00198   0.00941   1.69814
   A36        1.81441   0.00008   0.00425   0.00093   0.00514   1.81955
   A37        1.53670   0.00004  -0.00049  -0.00018  -0.00067   1.53603
   A38        1.51960   0.00000   0.00012   0.00055   0.00062   1.52022
   A39        2.21827   0.00006   0.00040   0.00048   0.00078   2.21905
   A40        2.30076   0.00003   0.00918   0.00274   0.01201   2.31277
   A41        0.70688   0.00001  -0.00046  -0.00011  -0.00057   0.70631
   A42        0.77461   0.00001  -0.00055  -0.00013  -0.00068   0.77394
   A43        2.68636   0.00000  -0.00085  -0.00034  -0.00121   2.68515
   A44        2.59540   0.00000  -0.00151  -0.00026  -0.00178   2.59362
   A45        2.62338   0.00000  -0.00116  -0.00002  -0.00118   2.62220
   A46        2.31521   0.00000  -0.00072  -0.00001  -0.00073   2.31448
   A47        2.18881   0.00000  -0.00147  -0.00025  -0.00174   2.18707
   A48        1.94355  -0.00001  -0.00167  -0.00027  -0.00196   1.94159
   A49        1.12503   0.00000   0.00031  -0.00005   0.00025   1.12528
   A50        1.48660   0.00000   0.00026  -0.00008   0.00017   1.48678
   A51        1.59692  -0.00001  -0.00050  -0.00021  -0.00073   1.59619
   A52        1.83735  -0.00001  -0.00065  -0.00037  -0.00101   1.83634
   A53        1.80283   0.00000   0.00090   0.00003   0.00092   1.80375
   A54        1.49113   0.00001   0.00824   0.00225   0.01050   1.50163
   A55        1.49615   0.00008   0.00494   0.00115   0.00604   1.50218
   A56        1.16207   0.00004   0.00083   0.00011   0.00096   1.16303
   A57        1.11485   0.00000   0.00104   0.00071   0.00170   1.11655
   A58        1.86067   0.00005   0.00008   0.00041   0.00037   1.86104
   A59        1.89860   0.00002   0.00997   0.00289   0.01298   1.91158
   A60        0.84063   0.00002   0.00051   0.00021   0.00072   0.84135
   A61        0.78353   0.00001   0.00072   0.00026   0.00098   0.78451
   A62        2.60688   0.00000   0.00215   0.00028   0.00243   2.60930
   A63        2.75439   0.00001   0.00084   0.00020   0.00101   2.75540
   A64        2.59274   0.00001  -0.00183  -0.00023  -0.00207   2.59067
   A65        2.37584   0.00001   0.00021   0.00015   0.00033   2.37618
   A66        2.17314   0.00000  -0.00070   0.00000  -0.00072   2.17242
   A67        0.86826  -0.00001   0.00167   0.00023   0.00190   0.87016
   A68        1.24326   0.00000   0.00183   0.00026   0.00209   1.24534
   A69        1.43005  -0.00001   0.00161   0.00023   0.00184   1.43189
   A70        1.70465  -0.00001   0.00166   0.00013   0.00181   1.70647
   A71        1.52494   0.00000   0.00194   0.00023   0.00217   1.52711
   A72        1.52465   0.00002   0.00611   0.00173   0.00784   1.53248
   A73        1.41772   0.00007   0.00312   0.00075   0.00380   1.42152
   A74        1.03135   0.00003   0.00037   0.00001   0.00040   1.03175
   A75        0.91004  -0.00001   0.00057   0.00054   0.00106   0.91111
   A76        1.71423   0.00003  -0.00229  -0.00018  -0.00261   1.71162
   A77        1.68313   0.00001   0.00892   0.00261   0.01172   1.69485
   A78        1.99875  -0.00001  -0.00096  -0.00030  -0.00126   1.99748
   A79        1.92626  -0.00001  -0.00047  -0.00012  -0.00060   1.92566
   A80        2.19351  -0.00001  -0.00009   0.00005  -0.00005   2.19346
   A81        2.04352   0.00000   0.00089   0.00016   0.00105   2.04457
   A82        1.53522  -0.00001  -0.00031  -0.00006  -0.00039   1.53483
   A83        1.35474  -0.00001  -0.00044  -0.00007  -0.00052   1.35422
   A84        1.18586   0.00000  -0.00081  -0.00010  -0.00091   1.18495
   A85        1.37593   0.00000  -0.00121  -0.00020  -0.00140   1.37452
   A86        1.21553  -0.00001  -0.00164  -0.00024  -0.00189   1.21364
   A87        1.33069  -0.00002  -0.00163  -0.00040  -0.00202   1.32868
   A88        1.80134   0.00000  -0.00104  -0.00017  -0.00121   1.80013
   A89        2.11973   0.00001   0.00768   0.00202   0.00972   2.12945
   A90        2.20184   0.00008   0.00453   0.00103   0.00550   2.20734
   A91        1.85779   0.00005   0.00071   0.00013   0.00085   1.85864
   A92        1.74666   0.00001   0.00105   0.00074   0.00174   1.74841
   A93        2.55322   0.00005  -0.00137   0.00011  -0.00144   2.55179
   A94        2.48283   0.00002   0.00770   0.00244   0.01039   2.49321
   A95        1.91367  -0.00001  -0.00009  -0.00019  -0.00028   1.91339
   A96        1.97376   0.00000   0.00047  -0.00001   0.00046   1.97422
   A97        2.34073   0.00000   0.00065   0.00011   0.00075   2.34148
   A98        2.28339   0.00000   0.00159   0.00025   0.00184   2.28523
   A99        1.63674   0.00000   0.00076   0.00011   0.00085   1.63758
   A100       1.52657   0.00000   0.00047   0.00008   0.00054   1.52711
   A101       0.88378   0.00000  -0.00120  -0.00016  -0.00136   0.88242
   A102       1.05954  -0.00001  -0.00134  -0.00023  -0.00156   1.05798
   A103       0.93660  -0.00001  -0.00134  -0.00023  -0.00157   0.93503
   A104       1.10514  -0.00002  -0.00100  -0.00035  -0.00134   1.10381
   A105       1.48470   0.00000  -0.00118  -0.00020  -0.00137   1.48332
   A106       2.26570   0.00002   0.00768   0.00212   0.00981   2.27551
   A107       2.19839   0.00008   0.00358   0.00097   0.00448   2.20287
   A108       1.79918   0.00005   0.00123   0.00035   0.00160   1.80079
   A109       1.61186   0.00001   0.00104   0.00072   0.00173   1.61359
   A110       2.41809   0.00003  -0.00390  -0.00045  -0.00455   2.41354
   A111       2.24058   0.00001   0.00540   0.00187   0.00759   2.24816
   A112       0.71320   0.00000  -0.00014   0.00000  -0.00013   0.71307
   A113       1.00548   0.00000  -0.00016   0.00003  -0.00013   1.00535
   A114       0.69388   0.00000  -0.00009  -0.00004  -0.00011   0.69377
   A115       0.98049   0.00001  -0.00021  -0.00004  -0.00025   0.98024
   A116       1.79291   0.00000   0.00071   0.00007   0.00080   1.79370
   A117       1.41494   0.00000   0.00052   0.00005   0.00057   1.41551
   A118       1.17856   0.00000   0.00061   0.00006   0.00067   1.17923
   A119       0.90245   0.00001   0.00047   0.00014   0.00058   0.90304
   A120       1.24524   0.00000   0.00025   0.00007   0.00034   1.24558
   A121       2.10318  -0.00001  -0.00761  -0.00194  -0.00955   2.09363
   A122       2.07836  -0.00007  -0.00345  -0.00069  -0.00409   2.07427
   A123       2.34965  -0.00003   0.00229   0.00064   0.00291   2.35255
   A124       2.28239   0.00001   0.00223  -0.00001   0.00228   2.28467
   A125       1.68157  -0.00005   0.00063  -0.00019   0.00054   1.68211
   A126       1.56221  -0.00002  -0.00761  -0.00229  -0.00989   1.55232
   A127       0.65781   0.00000  -0.00003   0.00004   0.00001   0.65782
   A128       0.66185   0.00001   0.00005   0.00003   0.00008   0.66193
   A129       2.14512   0.00000   0.00075   0.00010   0.00086   2.14598
   A130       1.77818   0.00000   0.00053   0.00006   0.00060   1.77878
   A131       1.47673   0.00001   0.00060   0.00012   0.00073   1.47745
   A132       1.18291   0.00001   0.00046   0.00018   0.00062   1.18353
   A133       1.63802   0.00000   0.00023   0.00004   0.00029   1.63831
   A134       1.96417  -0.00003  -0.00761  -0.00195  -0.00954   1.95463
   A135       2.11029  -0.00008  -0.00409  -0.00097  -0.00498   2.10531
   A136       2.49557  -0.00004  -0.00073  -0.00012  -0.00089   2.49467
   A137       2.57213   0.00000   0.00065  -0.00043   0.00027   2.57240
   A138       1.80351  -0.00004   0.00174  -0.00002   0.00188   1.80539
   A139       1.78914  -0.00003  -0.00845  -0.00263  -0.01119   1.77795
   A140       0.70470  -0.00001  -0.00015  -0.00001  -0.00015   0.70455
   A141       0.83978   0.00000   0.00032   0.00010   0.00042   0.84020
   A142       2.49509   0.00000   0.00054   0.00003   0.00058   2.49567
   A143       2.11609   0.00000   0.00037   0.00001   0.00039   2.11648
   A144       1.88184   0.00000   0.00046   0.00010   0.00057   1.88240
   A145       1.59327   0.00001   0.00032   0.00018   0.00048   1.59375
   A146       1.85075  -0.00001   0.00009  -0.00004   0.00005   1.85080
   A147       1.53716  -0.00002  -0.00736  -0.00195  -0.00929   1.52788
   A148       1.72863  -0.00007  -0.00393  -0.00103  -0.00488   1.72374
   A149       2.13616  -0.00004  -0.00227  -0.00055  -0.00285   2.13330
   A150       2.32614   0.00000  -0.00145  -0.00083  -0.00224   2.32390
   A151       1.50812  -0.00003   0.00264   0.00014   0.00297   1.51109
   A152       1.60062  -0.00002  -0.00816  -0.00263  -0.01104   1.58958
   A153       0.76702  -0.00001   0.00026   0.00001   0.00026   0.76729
   A154       0.77716   0.00000   0.00100   0.00013   0.00113   0.77829
   A155       2.79800   0.00000   0.00059   0.00011   0.00071   2.79872
   A156       2.42024   0.00000   0.00035   0.00007   0.00042   2.42066
   A157       2.13090   0.00000   0.00061   0.00018   0.00079   2.13169
   A158       1.83647   0.00001   0.00047   0.00023   0.00067   1.83714
   A159       2.16443  -0.00001  -0.00020  -0.00002  -0.00021   2.16421
   A160       1.38846  -0.00003  -0.00688  -0.00175  -0.00859   1.37987
   A161       1.67365  -0.00006  -0.00405  -0.00103  -0.00500   1.66864
   A162       2.06988  -0.00004  -0.00425  -0.00096  -0.00524   2.06464
   A163       2.33062  -0.00001  -0.00333  -0.00096  -0.00428   2.32635
   A164       1.57521  -0.00002   0.00262   0.00030   0.00312   1.57833
   A165       1.74896  -0.00002  -0.00779  -0.00237  -0.01048   1.73848
   A166       2.11321   0.00001   0.00072   0.00021   0.00094   2.11415
   A167       1.82338   0.00001   0.00048   0.00016   0.00066   1.82403
   A168       1.43349   0.00002   0.00047   0.00023   0.00070   1.43419
   A169       1.15751   0.00002   0.00031   0.00022   0.00053   1.15804
   A170       1.84686   0.00001   0.00022   0.00013   0.00038   1.84725
   A171       2.15113  -0.00004  -0.00628  -0.00165  -0.00791   2.14323
   A172       2.42474  -0.00008  -0.00399  -0.00105  -0.00495   2.41979
   A173       2.83239  -0.00005  -0.00335  -0.00080  -0.00422   2.82816
   A174       2.19216  -0.00004   0.00208   0.00004   0.00230   2.19446
   A175       2.19545  -0.00002  -0.00846  -0.00263  -0.01118   2.18427
   A176       2.20193   0.00001  -0.00005   0.00010   0.00005   2.20199
   A177       1.99317   0.00001  -0.00021   0.00007  -0.00012   1.99304
   A178       1.58059   0.00002  -0.00028   0.00013  -0.00014   1.58045
   A179       1.33714   0.00002  -0.00038   0.00010  -0.00028   1.33686
   A180       2.10081   0.00001  -0.00024   0.00008  -0.00013   2.10067
   A181       2.06066  -0.00004  -0.00387  -0.00107  -0.00491   2.05576
   A182       2.42016  -0.00006  -0.00250  -0.00080  -0.00325   2.41691
   A183       2.73998  -0.00003  -0.00477  -0.00121  -0.00601   2.73397
   A184       2.33805  -0.00003   0.00332   0.00033   0.00384   2.34189
   A185       2.42686  -0.00002  -0.00822  -0.00260  -0.01101   2.41586
   A186       0.69008   0.00000   0.00021  -0.00002   0.00020   0.69029
   A187       0.98108  -0.00001   0.00035  -0.00005   0.00033   0.98141
   A188       0.69691   0.00000   0.00029   0.00003   0.00032   0.69723
   A189       2.00787   0.00003   0.00482   0.00122   0.00596   2.01384
   A190       1.66072   0.00004   0.00249   0.00069   0.00310   1.66382
   A191       1.30693   0.00003   0.00413   0.00095   0.00509   1.31202
   A192       1.01893   0.00001   0.00305   0.00071   0.00376   1.02269
   A193       1.62689   0.00000  -0.00368  -0.00067  -0.00454   1.62234
   A194       1.37836   0.00000   0.00511   0.00159   0.00709   1.38546
   A195       0.66679  -0.00001   0.00017  -0.00006   0.00014   0.66693
   A196       2.21141   0.00003   0.00273   0.00062   0.00324   2.21465
   A197       1.81898   0.00002   0.00163   0.00049   0.00206   1.82104
   A198       1.54843   0.00002   0.00488   0.00112   0.00601   1.55444
   A199       1.25995   0.00002   0.00354   0.00063   0.00419   1.26414
   A200       1.63553  -0.00002  -0.00332  -0.00075  -0.00424   1.63130
   A201       1.33838   0.00000   0.00232   0.00072   0.00345   1.34183
   A202       0.71033   0.00000   0.00021  -0.00002   0.00020   0.71053
   A203       2.62325   0.00002   0.00232   0.00041   0.00256   2.62581
   A204       2.22747   0.00001   0.00147   0.00036   0.00178   2.22925
   A205       1.95848   0.00002   0.00485   0.00104   0.00591   1.96439
   A206       1.66768   0.00001   0.00356   0.00061   0.00418   1.67186
   A207       1.98566  -0.00003  -0.00279  -0.00082  -0.00373   1.98193
   A208       1.67962  -0.00001   0.00052   0.00006   0.00093   1.68055
   A209       0.83174   0.00000   0.00018   0.00005   0.00024   0.83199
   A210       2.75503   0.00002  -0.00202  -0.00065  -0.00288   2.75215
   A211       2.38737  -0.00001   0.00035   0.00017   0.00049   2.38786
   A212       2.20589   0.00001   0.00517   0.00112   0.00633   2.21221
   A213       1.92282   0.00001   0.00374   0.00056   0.00434   1.92716
   A214       2.04675  -0.00004  -0.00198  -0.00064  -0.00270   2.04405
   A215       1.75360  -0.00001  -0.00185  -0.00058  -0.00213   1.75147
   A216       1.94628   0.00002  -0.00002  -0.00016  -0.00028   1.94600
   A217       1.55841   0.00000   0.00044   0.00018   0.00058   1.55899
   A218       1.41940   0.00001   0.00502   0.00113   0.00616   1.42556
   A219       1.17417   0.00001   0.00345   0.00036   0.00385   1.17802
   A220       1.27533  -0.00003  -0.00300  -0.00080  -0.00393   1.27141
   A221       0.96929  -0.00001   0.00032   0.00009   0.00082   0.97011
   A222       0.70098   0.00000   0.00073   0.00030   0.00106   0.70203
   A223       0.98983   0.00002   0.00145   0.00045   0.00188   0.99170
   A224       0.70845   0.00006  -0.00042  -0.00007  -0.00034   0.70811
   A225       1.00246   0.00004   0.00013  -0.00001  -0.00034   1.00212
   A226       0.65885   0.00005   0.00038   0.00004   0.00038   0.65923
   A227       0.66113  -0.00001   0.00282   0.00105   0.00364   0.66476
   A228       0.69924   0.00001  -0.00114   0.00021  -0.00097   0.69827
   A229       0.78849   0.00000   0.01003   0.00294   0.01294   0.80143
   A230       0.81891   0.00003  -0.00380  -0.00092  -0.00481   0.81410
   A231       0.78425   0.00003   0.00881   0.00215   0.01116   0.79541
   A232       1.70307  -0.00001  -0.00342  -0.00107  -0.00449   1.69859
   A233       1.80419  -0.00017   0.00678  -0.00105   0.00573   1.80992
   A234       2.19163  -0.00003   0.00015  -0.00001   0.00013   2.19176
   A235       2.12829   0.00006  -0.00020  -0.00001  -0.00020   2.12809
   A236       1.96313  -0.00003   0.00006   0.00000   0.00007   1.96320
   A237       2.12411  -0.00002  -0.00013  -0.00010  -0.00022   2.12388
   A238       2.12156   0.00002  -0.00019   0.00012  -0.00010   2.12146
   A239       2.03740   0.00000   0.00042  -0.00005   0.00037   2.03777
   A240       1.72310   0.00000   0.00511   0.00134   0.00645   1.72955
   A241       2.64012   0.00001  -0.00473  -0.00107  -0.00581   2.63431
   A242       1.91221   0.00000  -0.00010  -0.00008  -0.00017   1.91204
   A243       1.91212   0.00004  -0.00026   0.00039   0.00014   1.91226
   A244       1.92572   0.00000   0.00029  -0.00028  -0.00004   1.92568
   A245       1.90750  -0.00001   0.00011   0.00001   0.00010   1.90760
   A246       1.91181  -0.00001   0.00001  -0.00014  -0.00012   1.91168
   A247       1.89430  -0.00001  -0.00005   0.00012   0.00010   1.89440
   A248       1.36836  -0.00002  -0.00232  -0.00059  -0.00291   1.36545
   A249       1.90681  -0.00002   0.00005   0.00012   0.00016   1.90697
   A250       1.90822  -0.00002   0.00007  -0.00011  -0.00003   1.90819
   A251       1.93004   0.00001  -0.00026  -0.00002  -0.00028   1.92976
   A252       1.91122   0.00000  -0.00028  -0.00009  -0.00038   1.91084
   A253       1.89544   0.00001   0.00027   0.00001   0.00028   1.89572
   A254       1.91199   0.00002   0.00015   0.00009   0.00024   1.91222
   A255       1.71647   0.00001  -0.00006   0.00003  -0.00002   1.71645
   A256       1.78154  -0.00001   0.00009  -0.00019  -0.00010   1.78144
   A257       2.19013  -0.00001   0.00022   0.00001   0.00023   2.19036
   A258       2.13018   0.00000  -0.00020  -0.00002  -0.00022   2.12996
   A259       1.96267   0.00001  -0.00001   0.00001  -0.00001   1.96267
   A260       2.12296   0.00001   0.00014   0.00006   0.00019   2.12315
   A261       2.12459   0.00001  -0.00018  -0.00003  -0.00017   2.12442
   A262       2.03559  -0.00002   0.00004  -0.00003  -0.00001   2.03558
   A263       1.35277  -0.00001   0.00230  -0.00009   0.00222   1.35499
   A264       1.90058   0.00001   0.00018   0.00018   0.00036   1.90093
   A265       1.93122   0.00000  -0.00035  -0.00013  -0.00048   1.93074
   A266       1.90970   0.00000   0.00032  -0.00002   0.00033   1.91003
   A267       1.89808   0.00000  -0.00007  -0.00009  -0.00016   1.89792
   A268       1.91352  -0.00001  -0.00010   0.00003  -0.00007   1.91345
   A269       1.91064   0.00001   0.00001   0.00002   0.00002   1.91066
   A270       2.63792   0.00000  -0.00193  -0.00041  -0.00233   2.63559
   A271       1.72635   0.00000   0.00195   0.00041   0.00236   1.72871
   A272       1.92318   0.00000  -0.00016   0.00005  -0.00009   1.92308
   A273       1.91560   0.00003   0.00018   0.00011   0.00028   1.91588
   A274       1.91452  -0.00001  -0.00009  -0.00005  -0.00016   1.91435
   A275       1.89473  -0.00001   0.00004  -0.00006  -0.00002   1.89471
   A276       1.91044   0.00000  -0.00006  -0.00003  -0.00008   1.91036
   A277       1.90516  -0.00001   0.00009  -0.00002   0.00008   1.90524
   A278       1.82558  -0.00007   0.00055  -0.00051   0.00005   1.82563
   A279       1.74317   0.00003  -0.00092   0.00026  -0.00067   1.74250
   A280       2.18969  -0.00002   0.00010   0.00006   0.00017   2.18986
   A281       2.13065   0.00001   0.00006  -0.00006   0.00000   2.13065
   A282       1.96276   0.00001  -0.00016   0.00000  -0.00017   1.96259
   A283       2.12143   0.00000  -0.00003   0.00005   0.00001   2.12144
   A284       2.11565  -0.00001   0.00005  -0.00008  -0.00003   2.11562
   A285       2.04173   0.00001   0.00005   0.00005   0.00010   2.04184
   A286       2.70912  -0.00001   0.00082  -0.00019   0.00064   2.70976
   A287       1.64982   0.00002  -0.00050   0.00032  -0.00019   1.64963
   A288       1.92714   0.00001   0.00012  -0.00011   0.00000   1.92714
   A289       1.91434  -0.00002   0.00020   0.00007   0.00029   1.91463
   A290       1.91203   0.00001  -0.00012  -0.00003  -0.00016   1.91187
   A291       1.89100   0.00001   0.00007   0.00014   0.00018   1.89118
   A292       1.91230  -0.00001  -0.00023  -0.00004  -0.00028   1.91202
   A293       1.90681   0.00000  -0.00003  -0.00002  -0.00004   1.90677
   A294       1.36710  -0.00004  -0.00117  -0.00069  -0.00185   1.36525
   A295       1.14393   0.00003   0.00073   0.00039   0.00112   1.14505
   A296       1.93284   0.00000   0.00010   0.00011   0.00022   1.93306
   A297       1.90690  -0.00001   0.00025  -0.00011   0.00013   1.90703
   A298       1.90199   0.00001  -0.00020  -0.00001  -0.00022   1.90177
   A299       1.90960   0.00002  -0.00005  -0.00008  -0.00013   1.90947
   A300       1.89802  -0.00001   0.00012   0.00001   0.00012   1.89814
   A301       1.91442  -0.00001  -0.00021   0.00009  -0.00012   1.91429
   A302       1.83373  -0.00036  -0.00427  -0.00442  -0.00837   1.82535
   A303       1.62338   0.00039   0.00226   0.00508   0.00716   1.63054
   A304       2.19676   0.00006  -0.00091   0.00051  -0.00045   2.19630
   A305       2.13026  -0.00007  -0.00111   0.00059  -0.00049   2.12977
   A306       1.95578   0.00001   0.00199  -0.00106   0.00095   1.95673
   A307       2.13552  -0.00020  -0.00289   0.00023  -0.00258   2.13294
   A308       2.11803   0.00025   0.00525   0.00003   0.00549   2.12352
   A309       2.02960  -0.00005  -0.00229  -0.00022  -0.00288   2.02672
   A310       1.66424  -0.00014  -0.01664  -0.00521  -0.02157   1.64267
   A311       2.69545   0.00024   0.01744   0.00536   0.02248   2.71794
   A312       1.90873   0.00000   0.00011   0.00017   0.00050   1.90923
   A313       1.91741  -0.00001   0.00117  -0.00019   0.00072   1.91813
   A314       1.90880   0.00019   0.00055   0.00062   0.00092   1.90971
   A315       1.91741  -0.00010  -0.00118  -0.00037  -0.00151   1.91591
   A316       1.92234  -0.00017  -0.00239  -0.00029  -0.00264   1.91969
   A317       1.88906   0.00009   0.00178   0.00006   0.00204   1.89110
   A318       1.48457   0.00018   0.06291   0.01265   0.07533   1.55990
   A319       1.91579  -0.00002   0.00302  -0.00167   0.00010   1.91589
   A320       1.90878  -0.00001   0.00471   0.00099   0.00418   1.91296
   A321       1.92990  -0.00001  -0.00603   0.00021  -0.00484   1.92506
   A322       1.90148   0.00013   0.00554   0.00086   0.00765   1.90914
   A323       1.91485  -0.00010  -0.00442  -0.00026  -0.00447   1.91038
   A324       1.89265   0.00002  -0.00265  -0.00008  -0.00248   1.89017
   A325       2.91540   0.00001  -0.00155  -0.00010  -0.00164   2.91376
   A326       3.30903  -0.00001  -0.00191   0.00011  -0.00188   3.30715
   A327       3.02601  -0.00002  -0.00179   0.00010  -0.00176   3.02425
   A328       3.28035   0.00000  -0.00217  -0.00051  -0.00267   3.27768
   A329       3.26341   0.00000   0.00231  -0.00007   0.00224   3.26565
   A330       3.27670  -0.00003  -0.00122  -0.00077  -0.00198   3.27471
   A331       3.39942   0.00008   0.05848   0.01239   0.07085   3.47027
   A332       3.21032   0.00000   0.00223   0.00038   0.00261   3.21294
   A333       3.12045  -0.00002  -0.00328  -0.00096  -0.00424   3.11621
   A334       3.07118  -0.00002  -0.00301  -0.00084  -0.00385   3.06732
   A335       3.22760  -0.00001   0.00048  -0.00004   0.00045   3.22805
   A336       3.07370   0.00000  -0.00009  -0.00013  -0.00021   3.07348
   A337       3.10116   0.00000   0.00029   0.00005   0.00034   3.10150
   A338       3.05602   0.00002  -0.01042  -0.00621  -0.01580   3.04022
    D1        2.74281  -0.00002   0.00133   0.00007   0.00140   2.74421
    D2       -1.35057  -0.00002   0.00205  -0.00070   0.00134  -1.34923
    D3        2.71626  -0.00001   0.00339   0.00079   0.00417   2.72044
    D4       -1.37711  -0.00001   0.00410   0.00001   0.00411  -1.37300
    D5        1.61575   0.00000   0.00118   0.00055   0.00172   1.61746
    D6       -2.47763   0.00000   0.00189  -0.00022   0.00166  -2.47598
    D7        1.77175   0.00000   0.00197   0.00060   0.00256   1.77431
    D8       -2.32163   0.00000   0.00268  -0.00017   0.00250  -2.31913
    D9        0.23377  -0.00002   0.00148   0.00041   0.00188   0.23566
   D10        2.42358  -0.00002   0.00219  -0.00036   0.00182   2.42541
   D11       -0.03271  -0.00001   0.00097   0.00041   0.00137  -0.03133
   D12        2.15710  -0.00002   0.00169  -0.00037   0.00131   2.15841
   D13       -0.49406  -0.00001   0.00116   0.00041   0.00156  -0.49250
   D14        1.69575  -0.00001   0.00187  -0.00036   0.00150   1.69725
   D15       -0.61661   0.00000   0.00017   0.00034   0.00050  -0.61611
   D16        1.57320  -0.00001   0.00088  -0.00043   0.00044   1.57364
   D17        0.15136  -0.00001   0.00036   0.00034   0.00068   0.15204
   D18        2.34117  -0.00002   0.00107  -0.00044   0.00062   2.34179
   D19        0.10209  -0.00001   0.00063   0.00046   0.00107   0.10316
   D20        2.29190  -0.00001   0.00135  -0.00032   0.00101   2.29290
   D21        2.28393   0.00000   0.00068   0.00052   0.00119   2.28512
   D22       -1.80944   0.00000   0.00139  -0.00025   0.00113  -1.80831
   D23        2.03038  -0.00001   0.00002   0.00043   0.00043   2.03082
   D24       -2.06300  -0.00001   0.00073  -0.00035   0.00037  -2.06262
   D25        1.59236   0.00000   0.00043   0.00050   0.00092   1.59328
   D26       -2.50102  -0.00001   0.00115  -0.00028   0.00086  -2.50016
   D27        1.28496   0.00000   0.00049   0.00050   0.00095   1.28591
   D28       -2.80842   0.00000   0.00120  -0.00028   0.00089  -2.80753
   D29        2.21865   0.00000  -0.00134   0.00039  -0.00097   2.21769
   D30       -1.87473   0.00000  -0.00062  -0.00039  -0.00103  -1.87575
   D31       -1.99822   0.00002   0.00659   0.00198   0.00849  -1.98973
   D32        0.19158   0.00002   0.00730   0.00120   0.00843   0.20002
   D33       -2.30461   0.00006   0.00385   0.00137   0.00513  -2.29949
   D34       -0.11481   0.00006   0.00456   0.00059   0.00507  -0.10974
   D35       -2.69075   0.00003   0.00458   0.00138   0.00596  -2.68479
   D36       -0.50095   0.00003   0.00529   0.00060   0.00590  -0.49505
   D37       -2.96909   0.00001   0.00364   0.00130   0.00492  -2.96417
   D38       -0.77928   0.00001   0.00436   0.00052   0.00486  -0.77442
   D39       -2.24039   0.00003  -0.00365   0.00000  -0.00392  -2.24431
   D40       -0.05058   0.00002  -0.00293  -0.00078  -0.00398  -0.05456
   D41       -2.52493   0.00003   0.00776   0.00315   0.01157  -2.51336
   D42       -0.33512   0.00003   0.00848   0.00238   0.01151  -0.32362
   D43        1.34354  -0.00002  -0.00263  -0.00116  -0.00378   1.33975
   D44       -1.97808  -0.00002   0.00235   0.00048   0.00284  -1.97524
   D45        2.49119   0.00000  -0.00191  -0.00059  -0.00252   2.48866
   D46       -0.83043   0.00000   0.00307   0.00105   0.00410  -0.82633
   D47        2.95278   0.00000  -0.00134  -0.00047  -0.00182   2.95096
   D48       -0.36884   0.00001   0.00364   0.00118   0.00480  -0.36404
   D49        2.84415   0.00000  -0.00733  -0.00124  -0.00857   2.83558
   D50       -0.47747   0.00000  -0.00236   0.00041  -0.00195  -0.47942
   D51        2.02746   0.00000  -0.00509  -0.00073  -0.00582   2.02164
   D52       -1.29416   0.00000  -0.00011   0.00092   0.00080  -1.29336
   D53        1.16309   0.00000  -0.00261  -0.00052  -0.00313   1.15996
   D54       -2.15853   0.00001   0.00237   0.00113   0.00349  -2.15504
   D55        1.04609   0.00000  -0.00403  -0.00079  -0.00482   1.04126
   D56       -2.27553   0.00000   0.00095   0.00086   0.00180  -2.27373
   D57        2.03910  -0.00001  -0.00479  -0.00094  -0.00575   2.03335
   D58       -1.28252  -0.00001   0.00019   0.00070   0.00087  -1.28165
   D59        1.86838  -0.00001  -0.00390  -0.00085  -0.00476   1.86361
   D60       -1.45324  -0.00001   0.00108   0.00080   0.00186  -1.45138
   D61       -2.30262   0.00000  -0.00337  -0.00066  -0.00403  -2.30664
   D62        0.65895   0.00000   0.00161   0.00099   0.00259   0.66154
   D63       -2.42297   0.00000  -0.00416  -0.00082  -0.00499  -2.42796
   D64        0.53859   0.00000   0.00082   0.00082   0.00164   0.54023
   D65       -2.82328   0.00000  -0.00445  -0.00080  -0.00526  -2.82854
   D66        0.13829   0.00001   0.00052   0.00085   0.00136   0.13965
   D67       -2.99553   0.00000  -0.00490  -0.00092  -0.00585  -3.00138
   D68       -0.03396   0.00001   0.00007   0.00072   0.00077  -0.03319
   D69       -2.13622   0.00000  -0.00463  -0.00090  -0.00553  -2.14175
   D70        0.82535   0.00000   0.00035   0.00075   0.00109   0.82644
   D71       -0.19806   0.00003  -0.00282  -0.00056  -0.00345  -0.20150
   D72        2.76351   0.00003   0.00215   0.00109   0.00318   2.76669
   D73       -0.59586   0.00001  -0.00307  -0.00044  -0.00357  -0.59942
   D74        2.36571   0.00002   0.00191   0.00120   0.00305   2.36876
   D75       -0.84008   0.00002   0.00099   0.00043   0.00143  -0.83866
   D76        2.12148   0.00002   0.00597   0.00207   0.00805   2.12953
   D77       -1.15738   0.00002  -0.00027  -0.00003  -0.00029  -1.15767
   D78        1.80419   0.00002   0.00471   0.00161   0.00634   1.81052
   D79       -0.80959  -0.00002  -0.00756  -0.00166  -0.00939  -0.81898
   D80        2.15198  -0.00002  -0.00258  -0.00002  -0.00277   2.14921
   D81       -1.12852  -0.00001  -0.00340  -0.00061  -0.00363  -1.13215
   D82        1.83304  -0.00001   0.00158   0.00103   0.00299   1.83603
   D83       -1.50094   0.00001  -0.00095  -0.00003  -0.00098  -1.50191
   D84       -2.59753   0.00000   0.00035  -0.00001   0.00034  -2.59720
   D85       -2.96338   0.00000   0.00189   0.00037   0.00226  -2.96112
   D86        0.71190   0.00000  -0.00192  -0.00021  -0.00213   0.70976
   D87        0.29362   0.00000  -0.00187  -0.00018  -0.00205   0.29157
   D88       -0.08938   0.00001  -0.00122  -0.00004  -0.00126  -0.09064
   D89       -0.41658   0.00001  -0.00164  -0.00018  -0.00181  -0.41840
   D90        0.17979  -0.00001  -0.00231  -0.00035  -0.00268   0.17711
   D91       -0.04574  -0.00002  -0.00200  -0.00033  -0.00234  -0.04808
   D92        2.35920   0.00000  -0.00108  -0.00006  -0.00112   2.35808
   D93        2.01559   0.00000  -0.00165  -0.00016  -0.00180   2.01379
   D94        1.61731   0.00001  -0.00172  -0.00009  -0.00181   1.61550
   D95        1.33358   0.00001  -0.00202  -0.00013  -0.00217   1.33140
   D96        2.02585   0.00000  -0.00218  -0.00023  -0.00241   2.02345
   D97       -2.06150   0.00004   0.00241   0.00087   0.00325  -2.05825
   D98       -2.53014   0.00002  -0.00083   0.00023  -0.00066  -2.53080
   D99       -2.77891   0.00001   0.00302   0.00095   0.00399  -2.77492
   D100      -3.05621   0.00001   0.00147   0.00025   0.00176  -3.05445
   D101      -2.87476  -0.00006  -0.00908  -0.00192  -0.01118  -2.88594
   D102       2.89386  -0.00004  -0.00913  -0.00224  -0.01113   2.88273
   D103      -2.86437   0.00003  -0.00210  -0.00015  -0.00226  -2.86663
   D104       1.22945   0.00003  -0.00189  -0.00007  -0.00198   1.22747
   D105       2.87627   0.00000  -0.00069  -0.00040  -0.00108   2.87519
   D106       0.68691   0.00000  -0.00049  -0.00032  -0.00080   0.68611
   D107       2.38301   0.00000   0.00269   0.00011   0.00280   2.38580
   D108       0.19365   0.00000   0.00290   0.00019   0.00308   0.19673
   D109       1.79366  -0.00001   0.00131  -0.00005   0.00131   1.79497
   D110      -0.39570  -0.00001   0.00151   0.00003   0.00159  -0.39411
   D111       2.63234   0.00000  -0.00131  -0.00040  -0.00170   2.63064
   D112       0.44298   0.00000  -0.00110  -0.00032  -0.00142   0.44157
   D113       2.30240   0.00000  -0.00171  -0.00044  -0.00214   2.30026
   D114       0.11304   0.00000  -0.00150  -0.00036  -0.00185   0.11119
   D115      -1.61042   0.00000  -0.00041  -0.00001  -0.00042  -1.61084
   D116       2.48340   0.00001  -0.00021   0.00007  -0.00014   2.48327
   D117      -1.77191   0.00001   0.00024  -0.00005   0.00020  -1.77172
   D118       2.32191   0.00001   0.00044   0.00003   0.00048   2.32239
   D119      -2.73542   0.00002  -0.00032  -0.00003  -0.00034  -2.73577
   D120       1.35840   0.00002  -0.00012   0.00005  -0.00006   1.35834
   D121      -2.71016   0.00001  -0.00112  -0.00021  -0.00133  -2.71149
   D122       1.38366   0.00001  -0.00092  -0.00013  -0.00104   1.38262
   D123       1.38738   0.00000  -0.00063  -0.00029  -0.00091   1.38646
   D124      -0.80198   0.00000  -0.00042  -0.00021  -0.00063  -0.80261
   D125       1.35276   0.00000  -0.00049  -0.00029  -0.00078   1.35198
   D126      -0.83660   0.00000  -0.00028  -0.00021  -0.00050  -0.83709
   D127       1.70809   0.00000  -0.00038  -0.00037  -0.00074   1.70735
   D128      -0.48127   0.00000  -0.00017  -0.00029  -0.00046  -0.48173
   D129       1.82743   0.00000  -0.00036  -0.00029  -0.00065   1.82679
   D130      -0.36193   0.00000  -0.00016  -0.00021  -0.00036  -0.36229
   D131       0.95021   0.00000  -0.00051  -0.00033  -0.00084   0.94938
   D132      -1.23915   0.00000  -0.00030  -0.00025  -0.00055  -1.23970
   D133      -0.87364  -0.00003  -0.00211  -0.00056  -0.00257  -0.87621
   D134      -3.06300  -0.00003  -0.00190  -0.00048  -0.00228  -3.06528
   D135      -0.41647  -0.00003  -0.00281  -0.00091  -0.00364  -0.42011
   D136      -2.60583  -0.00003  -0.00260  -0.00084  -0.00335  -2.60919
   D137      -0.03003  -0.00004  -0.00728  -0.00174  -0.00909  -0.03911
   D138      -2.21939  -0.00004  -0.00708  -0.00167  -0.00880  -2.22819
   D139       0.35756  -0.00001  -0.00477  -0.00132  -0.00609   0.35146
   D140      -1.83180  -0.00001  -0.00457  -0.00124  -0.00581  -1.83761
   D141      -0.26646   0.00001   0.00293   0.00044   0.00355  -0.26291
   D142      -2.45582   0.00001   0.00314   0.00052   0.00384  -2.45199
   D143       0.01591   0.00000  -0.00408  -0.00139  -0.00584   0.01006
   D144      -2.17345   0.00000  -0.00387  -0.00131  -0.00556  -2.17901
   D145      -2.48181   0.00001  -0.00259  -0.00030  -0.00290  -2.48471
   D146      -2.70666  -0.00001  -0.00196  -0.00055  -0.00250  -2.70916
   D147      -2.35863  -0.00001  -0.00277  -0.00073  -0.00351  -2.36214
   D148       3.03608  -0.00001  -0.00224  -0.00060  -0.00282   3.03326
   D149       2.66822  -0.00001  -0.00211  -0.00064  -0.00273   2.66549
   D150       1.51438   0.00000  -0.00059  -0.00003  -0.00061   1.51377
   D151       2.61335   0.00001  -0.00053  -0.00010  -0.00059   2.61276
   D152       2.97882   0.00002  -0.00118  -0.00022  -0.00138   2.97744
   D153       1.28021  -0.00001  -0.00108  -0.00050  -0.00157   1.27864
   D154       1.30787   0.00000  -0.00074  -0.00036  -0.00110   1.30677
   D155       1.68605   0.00000  -0.00048  -0.00037  -0.00085   1.68520
   D156       1.74563   0.00000  -0.00046  -0.00022  -0.00068   1.74495
   D157       0.94268  -0.00001  -0.00075  -0.00035  -0.00110   0.94158
   D158      -1.00941  -0.00002   0.00145   0.00039   0.00192  -1.00749
   D159      -0.66083   0.00002  -0.00008  -0.00023  -0.00029  -0.66112
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   D163      -0.00879   0.00001   0.00161   0.00042   0.00175  -0.00704
   D164      -1.25729   0.00001  -0.00025   0.00039   0.00013  -1.25716
   D165       1.70119   0.00001  -0.00027   0.00014  -0.00015   1.70103
   D166      -1.61497  -0.00001   0.00051   0.00013   0.00064  -1.61433
   D167       1.34350  -0.00001   0.00048  -0.00012   0.00036   1.34386
   D168      -1.68016   0.00000   0.00152   0.00023   0.00175  -1.67841
   D169       1.27831   0.00000   0.00149  -0.00002   0.00147   1.27978
   D170      -1.96972   0.00000   0.00444   0.00082   0.00529  -1.96443
   D171       0.98876  -0.00001   0.00441   0.00058   0.00501   0.99377
   D172      -1.96802  -0.00001  -0.00008   0.00005  -0.00002  -1.96804
   D173       0.99046  -0.00001  -0.00011  -0.00019  -0.00030   0.99016
   D174      -2.26852  -0.00001   0.00008   0.00007   0.00016  -2.26836
   D175       0.68996  -0.00001   0.00005  -0.00018  -0.00012   0.68983
   D176       1.97994   0.00001   0.00118   0.00050   0.00168   1.98162
   D177      -1.34477   0.00001   0.00115   0.00025   0.00140  -1.34337
   D178       0.83361   0.00001   0.00123   0.00046   0.00172   0.83533
   D179      -2.49110   0.00001   0.00120   0.00021   0.00144  -2.48966
   D180       0.36899   0.00000   0.00170   0.00041   0.00214   0.37114
   D181      -2.95572   0.00000   0.00167   0.00016   0.00186  -2.95385
   D182      -3.06064  -0.00001   0.00137   0.00029   0.00169  -3.05895
   D183      -0.10217  -0.00001   0.00134   0.00004   0.00141  -0.10076
   D184       2.95523  -0.00001   0.00130   0.00029   0.00160   2.95683
   D185      -0.36949  -0.00001   0.00127   0.00004   0.00132  -0.36816
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   D187      -0.22656  -0.00001   0.00150   0.00004   0.00155  -0.22501
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   D189      -0.33362   0.00000   0.00151   0.00021   0.00170  -0.33193
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   D191      -0.80992  -0.00001   0.00106  -0.00001   0.00105  -0.80887
   D192       0.24751  -0.00002   0.00668   0.00185   0.00851   0.25603
   D193      -3.07720  -0.00002   0.00665   0.00160   0.00823  -3.06896
   D194       0.63356   0.00004   0.00272   0.00047   0.00316   0.63672
   D195      -2.69115   0.00003   0.00269   0.00022   0.00288  -2.68827
   D196       0.56314   0.00001  -0.01280  -0.00308  -0.01568   0.54747
   D197      -2.76157   0.00001  -0.01282  -0.00333  -0.01595  -2.77752
   D198       1.11420   0.00003   0.00432   0.00113   0.00557   1.11977
   D199      -2.21051   0.00003   0.00429   0.00088   0.00529  -2.20522
   D200       1.49181   0.00000  -0.00041  -0.00024  -0.00107   1.49074
   D201      -1.83290  -0.00001  -0.00044  -0.00049  -0.00135  -1.83425
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   D203      -0.56871   0.00000   0.00231   0.00006   0.00237  -0.56634
   D204       1.68568   0.00001   0.00169   0.00004   0.00172   1.68740
   D205      -0.53160   0.00002   0.00182   0.00020   0.00201  -0.52958
   D206       1.32909   0.00001   0.00221   0.00016   0.00237   1.33146
   D207      -0.88818   0.00001   0.00234   0.00032   0.00266  -0.88552
   D208       1.17490   0.00000   0.00039  -0.00031   0.00008   1.17499
   D209      -1.04237   0.00000   0.00051  -0.00015   0.00037  -1.04199
   D210       2.10229   0.00002   0.00189   0.00008   0.00196   2.10424
   D211      -0.11499   0.00002   0.00201   0.00024   0.00225  -0.11274
   D212       2.21508   0.00002   0.00123   0.00002   0.00125   2.21634
   D213      -0.00219   0.00002   0.00136   0.00019   0.00154  -0.00065
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   D216      -2.42393   0.00001   0.00062  -0.00016   0.00044  -2.42349
   D217       1.64198   0.00001   0.00075   0.00000   0.00073   1.64271
   D218      -2.07746   0.00001   0.00086   0.00003   0.00087  -2.07658
   D219       1.98845   0.00001   0.00098   0.00019   0.00116   1.98962
   D220      -2.27811   0.00002   0.00263   0.00032   0.00294  -2.27517
   D221       1.78780   0.00002   0.00275   0.00048   0.00323   1.79104
   D222      -2.90328   0.00000   0.00044  -0.00020   0.00020  -2.90309
   D223       1.16263   0.00001   0.00057  -0.00004   0.00049   1.16311
   D224       3.05117  -0.00001   0.00027  -0.00026  -0.00002   3.05115
   D225       0.83389  -0.00001   0.00040  -0.00010   0.00027   0.83416
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   D227       1.35691   0.00000   0.00028  -0.00002   0.00025   1.35715
   D228      -2.64773   0.00000   0.00023  -0.00035  -0.00012  -2.64785
   D229       1.41818   0.00000   0.00036  -0.00018   0.00017   1.41835
   D230      -1.55864   0.00001   0.00012  -0.00022  -0.00011  -1.55875
   D231       2.50727   0.00001   0.00025  -0.00006   0.00018   2.50745
   D232       0.08467   0.00001  -0.00541  -0.00189  -0.00738   0.07729
   D233      -2.13261   0.00001  -0.00528  -0.00173  -0.00709  -2.13969
   D234      -0.11529  -0.00005  -0.00214  -0.00077  -0.00289  -0.11818
   D235      -2.33256  -0.00005  -0.00201  -0.00061  -0.00260  -2.33516
   D236       0.09161  -0.00002   0.00302   0.00042   0.00343   0.09504
   D237      -2.12566  -0.00002   0.00315   0.00058   0.00372  -2.12194
   D238       0.04092   0.00002   0.00207  -0.00050   0.00163   0.04255
   D239      -2.17635   0.00002   0.00220  -0.00034   0.00192  -2.17443
   D240      -0.53641  -0.00004   0.00038  -0.00063  -0.00021  -0.53661
   D241      -2.75368  -0.00004   0.00051  -0.00047   0.00008  -2.75360
   D242      -0.71592  -0.00002  -0.00637  -0.00232  -0.00858  -0.72451
   D243      -2.93320  -0.00002  -0.00624  -0.00216  -0.00829  -2.94149
   D244      -2.89721   0.00002   0.00054  -0.00051   0.00003  -2.89718
   D245       0.01203   0.00002   0.00114   0.00036   0.00150   0.01354
   D246      -3.11427   0.00001   0.00034  -0.00057  -0.00023  -3.11449
   D247      -0.20502   0.00002   0.00094   0.00030   0.00125  -0.20377
   D248       2.76200   0.00001   0.00118  -0.00044   0.00075   2.76274
   D249      -0.61194   0.00001   0.00179   0.00043   0.00222  -0.60972
   D250       2.52760   0.00000   0.00029  -0.00066  -0.00036   2.52724
   D251      -0.84633   0.00000   0.00089   0.00021   0.00111  -0.84522
   D252      -2.91357   0.00002   0.00002  -0.00056  -0.00054  -2.91411
   D253      -0.00432   0.00002   0.00062   0.00031   0.00093  -0.00338
   D254      -3.08587   0.00001  -0.00123  -0.00069  -0.00192  -3.08779
   D255      -0.17662   0.00002  -0.00063   0.00018  -0.00045  -0.17707
   D256      -0.65799   0.00000  -0.00041  -0.00081  -0.00122  -0.65921
   D257       2.25126   0.00001   0.00020   0.00006   0.00026   2.25151
   D258      -0.92266   0.00001  -0.00033  -0.00068  -0.00102  -0.92368
   D259       1.98659   0.00001   0.00027   0.00019   0.00045   1.98704
   D260      -0.77924   0.00001  -0.00043  -0.00057  -0.00100  -0.78024
   D261       2.13001   0.00001   0.00017   0.00030   0.00047   2.13048
   D262      -0.99525   0.00001   0.00010  -0.00053  -0.00043  -0.99568
   D263       1.91400   0.00001   0.00070   0.00034   0.00104   1.91505
   D264      -1.32980   0.00001  -0.00026  -0.00067  -0.00095  -1.33076
   D265       1.57944   0.00001   0.00034   0.00020   0.00052   1.57997
   D266      -1.57721   0.00000  -0.00051  -0.00071  -0.00123  -1.57844
   D267       1.33204   0.00000   0.00009   0.00016   0.00024   1.33228
   D268       1.97949   0.00000  -0.00059  -0.00068  -0.00127   1.97822
   D269      -1.39445   0.00001   0.00001   0.00019   0.00020  -1.39424
   D270       0.86295  -0.00001  -0.00077  -0.00075  -0.00152   0.86143
   D271      -2.51099   0.00000  -0.00017   0.00012  -0.00005  -2.51103
   D272       1.30633  -0.00001  -0.01419  -0.00455  -0.01887   1.28746
   D273      -2.06761   0.00000  -0.01359  -0.00367  -0.01740  -2.08501
   D274       1.26532  -0.00008  -0.00462  -0.00171  -0.00627   1.25906
   D275      -2.10861  -0.00008  -0.00402  -0.00084  -0.00479  -2.11341
   D276       1.62330  -0.00003   0.00126  -0.00030   0.00097   1.62427
   D277      -1.75064  -0.00003   0.00187   0.00057   0.00245  -1.74819
   D278       1.64680   0.00001   0.00025  -0.00112  -0.00081   1.64599
   D279      -1.72714   0.00001   0.00085  -0.00025   0.00066  -1.72647
   D280       0.86131  -0.00004   0.00184  -0.00065   0.00135   0.86266
   D281      -2.51263  -0.00003   0.00244   0.00023   0.00282  -2.50981
   D282       0.85824  -0.00002  -0.00884  -0.00332  -0.01231   0.84593
   D283      -2.51570  -0.00001  -0.00824  -0.00245  -0.01083  -2.52653
   D284       1.62135   0.00001   0.00391   0.00031   0.00422   1.62558
   D285      -2.59962   0.00001   0.00404   0.00066   0.00470  -2.59492
   D286       1.63406   0.00002   0.00253   0.00039   0.00291   1.63696
   D287      -2.58692   0.00002   0.00266   0.00074   0.00338  -2.58354
   D288       1.28610   0.00001   0.00267   0.00047   0.00314   1.28924
   D289      -2.93487   0.00001   0.00280   0.00082   0.00361  -2.93126
   D290       1.21308   0.00000   0.00060  -0.00001   0.00059   1.21367
   D291      -3.00790   0.00001   0.00073   0.00034   0.00107  -3.00683
   D292       2.01321   0.00002   0.00218   0.00035   0.00251   2.01572
   D293      -2.20777   0.00002   0.00231   0.00070   0.00299  -2.20478
   D294       1.99743   0.00001   0.00116   0.00022   0.00137   1.99880
   D295      -2.22355   0.00002   0.00128   0.00057   0.00185  -2.22170
   D296      -2.31944   0.00000   0.00147   0.00008   0.00154  -2.31790
   D297      -0.25723   0.00001   0.00160   0.00043   0.00201  -0.25521
   D298      -2.31576   0.00001   0.00157   0.00020   0.00177  -2.31399
   D299      -0.25355   0.00001   0.00170   0.00055   0.00224  -0.25131
   D300      -1.93653   0.00001   0.00147   0.00027   0.00174  -1.93479
   D301       0.12568   0.00001   0.00160   0.00062   0.00221   0.12790
   D302      -1.89161   0.00001   0.00212   0.00037   0.00249  -1.88912
   D303       0.17060   0.00001   0.00225   0.00072   0.00296   0.17356
   D304      -2.67066   0.00001   0.00160   0.00027   0.00184  -2.66881
   D305      -0.60845   0.00002   0.00172   0.00062   0.00232  -0.60613
   D306      -2.81714   0.00001   0.00103   0.00018   0.00120  -2.81594
   D307      -0.75493   0.00001   0.00116   0.00053   0.00168  -0.75325
   D308       1.52110   0.00001   0.00083   0.00011   0.00093   1.52203
   D309      -2.69988   0.00001   0.00095   0.00046   0.00141  -2.69847
   D310       2.62116   0.00000   0.00084   0.00007   0.00091   2.62207
   D311      -1.59981   0.00000   0.00096   0.00042   0.00138  -1.59843
   D312       3.00833  -0.00001   0.00101  -0.00006   0.00098   3.00931
   D313      -1.21264  -0.00001   0.00114   0.00029   0.00145  -1.21119
   D314      -0.28994  -0.00001  -0.00676  -0.00198  -0.00873  -0.29867
   D315       1.77227  -0.00001  -0.00663  -0.00163  -0.00826   1.76402
   D316      -0.20504  -0.00007  -0.00249  -0.00075  -0.00318  -0.20822
   D317       1.85717  -0.00006  -0.00236  -0.00040  -0.00270   1.85446
   D318       0.18113  -0.00003   0.00033  -0.00003   0.00028   0.18141
   D319       2.24334  -0.00003   0.00045   0.00032   0.00076   2.24410
   D320       0.34572   0.00001  -0.00007  -0.00060  -0.00063   0.34509
   D321       2.40793   0.00001   0.00006  -0.00026  -0.00015   2.40778
   D322      -0.52200  -0.00004   0.00333   0.00017   0.00365  -0.51835
   D323       1.54021  -0.00003   0.00346   0.00052   0.00413   1.54434
   D324      -0.52611  -0.00002  -0.00889  -0.00303  -0.01209  -0.53820
   D325       1.53610  -0.00001  -0.00877  -0.00268  -0.01161   1.52449
   D326      -0.11522  -0.00002   0.00879   0.00430   0.01303  -0.10219
   D327       2.05546  -0.00004   0.00738   0.00567   0.01300   2.06846
   D328       0.22507  -0.00001   0.00772   0.00425   0.01195   0.23702
   D329       2.39575  -0.00003   0.00632   0.00563   0.01191   2.40766
   D330       0.58127   0.00000   0.00727   0.00427   0.01153   0.59280
   D331       2.75196  -0.00002   0.00587   0.00564   0.01149   2.76345
   D332       0.86708   0.00001   0.00689   0.00422   0.01111   0.87819
   D333       3.03776  -0.00001   0.00548   0.00559   0.01107   3.04883
   D334       0.24205  -0.00002   0.00648   0.00385   0.01031   0.25236
   D335       2.41273  -0.00004   0.00507   0.00523   0.01028   2.42301
   D336       0.58969  -0.00002   0.00867   0.00437   0.01309   0.60278
   D337       2.76037  -0.00004   0.00726   0.00574   0.01305   2.77342
   D338      -2.50966   0.00002   0.00943   0.00459   0.01397  -2.49569
   D339      -0.33898   0.00000   0.00802   0.00596   0.01393  -0.32505
   D340      -2.09791   0.00001   0.00779   0.00414   0.01195  -2.08597
   D341       0.07277  -0.00001   0.00639   0.00552   0.01191   0.08468
   D342      -2.05423   0.00000   0.00855   0.00433   0.01291  -2.04132
   D343       0.11645  -0.00002   0.00714   0.00570   0.01287   0.12932
   D344      -1.77318   0.00000   0.00879   0.00453   0.01337  -1.75982
   D345       0.39750  -0.00003   0.00738   0.00590   0.01333   0.41083
   D346      -1.68756   0.00001   0.00542   0.00355   0.00904  -1.67852
   D347       0.48312  -0.00001   0.00402   0.00492   0.00900   0.49213
   D348      -1.37011   0.00001   0.00519   0.00350   0.00873  -1.36138
   D349       0.80057  -0.00001   0.00378   0.00487   0.00869   0.80927
   D350       1.61141   0.00000   0.01071   0.00508   0.01585   1.62726
   D351      -2.50109  -0.00002   0.00930   0.00646   0.01582  -2.48528
   D352       1.98657   0.00001   0.01336   0.00578   0.01920   2.00577
   D353      -2.12593  -0.00001   0.01196   0.00715   0.01916  -2.10677
   D354       2.06487   0.00001   0.02024   0.00771   0.02809   2.09297
   D355      -2.04763  -0.00001   0.01883   0.00909   0.02805  -2.01957
   D356       2.68118   0.00003   0.02572   0.00858   0.03404   2.71522
   D357      -1.43133   0.00001   0.02432   0.00996   0.03401  -1.39732
   D358       2.37029   0.00001   0.01142   0.00517   0.01658   2.38687
   D359      -1.74221  -0.00001   0.01002   0.00654   0.01655  -1.72567
   D360       1.60102   0.00005  -0.00192   0.00163  -0.00032   1.60069
   D361      -2.51149   0.00003  -0.00332   0.00300  -0.00036  -2.51185
   D362       1.65598   0.00000   0.00314   0.00368   0.00672   1.66270
   D363      -2.45653  -0.00003   0.00173   0.00505   0.00668  -2.44984
   D364       2.71524   0.00002  -0.00406   0.00183  -0.00249   2.71276
   D365      -1.39726   0.00000  -0.00547   0.00321  -0.00252  -1.39978
   D366       2.60124   0.00001   0.01354   0.00620   0.02005   2.62129
   D367      -1.51127  -0.00001   0.01213   0.00758   0.02001  -1.49125
   D368       0.03654  -0.00002   0.00546  -0.00004   0.00545   0.04200
   D369      -2.94185  -0.00001   0.01350   0.00383   0.01735  -2.92450
   D370       0.42405   0.00000   0.00521   0.00031   0.00553   0.42958
   D371      -2.55435   0.00001   0.01325   0.00417   0.01743  -2.53692
   D372       0.58763   0.00001   0.00621   0.00069   0.00691   0.59455
   D373      -2.39077   0.00002   0.01425   0.00456   0.01882  -2.37195
   D374       0.87561   0.00001   0.00523   0.00053   0.00578   0.88139
   D375      -2.10278   0.00003   0.01327   0.00439   0.01768  -2.08510
   D376       0.71565   0.00000   0.00422   0.00000   0.00421   0.71987
   D377      -2.26275   0.00001   0.01226   0.00386   0.01611  -2.24663
   D378       1.03800   0.00000   0.00460   0.00010   0.00470   1.04271
   D379      -1.94039   0.00002   0.01264   0.00397   0.01660  -1.92379
   D380      -2.87864   0.00003   0.00949   0.00117   0.01073  -2.86791
   D381       0.42614   0.00004   0.01753   0.00504   0.02264   0.44878
   D382      -2.31828   0.00001   0.01176   0.00174   0.01353  -2.30474
   D383       0.98651   0.00003   0.01980   0.00561   0.02544   1.01195
   D384      -1.99226  -0.00001   0.00762   0.00077   0.00839  -1.98387
   D385       1.31253   0.00001   0.01566   0.00463   0.02029   1.33282
   D386      -1.63273  -0.00002   0.00619   0.00054   0.00673  -1.62601
   D387       1.67205   0.00000   0.01423   0.00441   0.01863   1.69068
   D388      -1.78582  -0.00002   0.01789   0.00336   0.02108  -1.76475
   D389       1.51896   0.00000   0.02594   0.00722   0.03298   1.55194
   D390      -0.97861  -0.00007   0.00649   0.00059   0.00706  -0.97155
   D391       2.32618  -0.00006   0.01453   0.00446   0.01896   2.34514
   D392       1.77976  -0.00001   0.00497   0.00028   0.00525   1.78501
   D393      -1.19864   0.00001   0.01301   0.00415   0.01715  -1.18149
   D394       2.07636   0.00000   0.00439   0.00013   0.00452   2.08088
   D395      -0.90204   0.00001   0.01243   0.00399   0.01642  -0.88562
   D396       2.01178   0.00001   0.00359  -0.00002   0.00356   2.01535
   D397      -0.96661   0.00002   0.01163   0.00384   0.01546  -0.95115
   D398       2.19583   0.00001   0.00386  -0.00016   0.00372   2.19955
   D399      -0.78257   0.00003   0.01190   0.00370   0.01562  -0.76695
   D400       2.48371   0.00000   0.00441   0.00012   0.00455   2.48825
   D401      -0.49469   0.00001   0.01245   0.00398   0.01645  -0.47824
   D402      -1.37159   0.00004  -0.00687  -0.00295  -0.00983  -1.38142
   D403       1.93320   0.00005   0.00117   0.00091   0.00207   1.93527
   D404      -2.50855  -0.00006  -0.00647  -0.00244  -0.00917  -2.51772
   D405       0.79624  -0.00004   0.00158   0.00143   0.00273   0.79897
   D406      -2.94342  -0.00003   0.00561   0.00086   0.00704  -2.93638
   D407       0.36136  -0.00002   0.01365   0.00472   0.01894   0.38031
   D408       1.83394  -0.00004  -0.00880  -0.00524  -0.01372   1.82022
   D409       2.31322   0.00000  -0.00838  -0.00468  -0.01277   2.30045
   D410       2.53272   0.00000  -0.01101  -0.00508  -0.01589   2.51684
   D411       2.78597   0.00001  -0.01309  -0.00552  -0.01845   2.76752
   D412       2.71929   0.00005  -0.00485  -0.00381  -0.00836   2.71093
   D413      -3.08865   0.00006  -0.00810  -0.00427  -0.01222  -3.10087
   D414      -0.82739  -0.00001  -0.01150  -0.00540  -0.01677  -0.84417
   D415      -0.44811  -0.00001  -0.01182  -0.00549  -0.01719  -0.46530
   D416      -0.13452   0.00000  -0.01113  -0.00532  -0.01630  -0.15082
   D417       0.17475  -0.00001  -0.01137  -0.00532  -0.01654   0.15821
   D418      -0.31524  -0.00001  -0.01303  -0.00574  -0.01868  -0.33392
   D419       0.00814  -0.00002  -0.01348  -0.00593  -0.01930  -0.01116
   D420      -2.62846   0.00000  -0.01181  -0.00537  -0.01704  -2.64551
   D421      -2.24832   0.00000  -0.01172  -0.00536  -0.01694  -2.26526
   D422      -2.01781   0.00001  -0.01260  -0.00543  -0.01794  -2.03575
   D423      -1.69830   0.00000  -0.01299  -0.00564  -0.01854  -1.71683
   D424      -2.01893  -0.00001  -0.01082  -0.00535  -0.01598  -2.03491
   D425       1.45774  -0.00001  -0.02549  -0.00848  -0.03403   1.42371
   D426       2.57620  -0.00006  -0.02313  -0.00807  -0.03127   2.54493
   D427       2.96501  -0.00006  -0.01841  -0.00660  -0.02506   2.93995
   D428      -3.10183   0.00003  -0.00037   0.00055   0.00018  -3.10165
   D429       0.02258  -0.00002   0.00571  -0.00116   0.00456   0.02714
   D430       0.02232  -0.00013   0.00029  -0.00032  -0.00003   0.02228
   D431      -3.13646  -0.00018   0.00637  -0.00203   0.00435  -3.13211
   D432       0.04011  -0.00007   0.00086  -0.00313  -0.00227   0.03784
   D433       2.13254  -0.00005   0.00077  -0.00293  -0.00217   2.13037
   D434      -2.06612  -0.00005   0.00073  -0.00272  -0.00198  -2.06810
   D435      -3.08509  -0.00002  -0.00493  -0.00150  -0.00644  -3.09154
   D436      -0.99266   0.00000  -0.00502  -0.00130  -0.00634  -0.99900
   D437       1.09187   0.00000  -0.00507  -0.00109  -0.00615   1.08572
   D438      -2.40149   0.00005  -0.00363   0.00185  -0.00179  -2.40327
   D439      -0.31017   0.00002  -0.00390   0.00175  -0.00216  -0.31233
   D440       1.79644   0.00004  -0.00383   0.00178  -0.00206   1.79438
   D441       0.72374   0.00000   0.00216   0.00023   0.00238   0.72612
   D442       2.81506  -0.00003   0.00189   0.00012   0.00200   2.81706
   D443      -1.36152  -0.00001   0.00196   0.00015   0.00210  -1.35942
   D444      -0.01372   0.00001  -0.00081   0.00024  -0.00058  -0.01429
   D445       3.11733   0.00001  -0.00010   0.00000  -0.00011   3.11721
   D446      -3.13434   0.00001  -0.00101   0.00054  -0.00047  -3.13481
   D447      -0.00330   0.00001  -0.00030   0.00030  -0.00001  -0.00331
   D448       2.42958   0.00000  -0.00180   0.00005  -0.00175   2.42783
   D449      -1.76829   0.00000  -0.00199  -0.00002  -0.00202  -1.77031
   D450       0.33834   0.00001  -0.00199  -0.00010  -0.00208   0.33626
   D451      -0.70197   0.00000  -0.00248   0.00028  -0.00219  -0.70416
   D452       1.38334   0.00000  -0.00267   0.00021  -0.00246   1.38088
   D453      -2.79322   0.00001  -0.00267   0.00013  -0.00252  -2.79573
   D454       2.07354   0.00000   0.00236   0.00036   0.00273   2.07627
   D455      -2.12399   0.00001   0.00243   0.00038   0.00283  -2.12116
   D456      -0.03086   0.00001   0.00259   0.00040   0.00300  -0.02786
   D457      -1.07810   0.00000   0.00304   0.00013   0.00317  -1.07493
   D458       1.00756   0.00001   0.00310   0.00015   0.00327   1.01082
   D459       3.10069   0.00001   0.00327   0.00017   0.00344   3.10412
   D460      -3.06635  -0.00005   0.00072  -0.00033   0.00038  -3.06597
   D461      -0.02814  -0.00004   0.00157  -0.00017   0.00140  -0.02675
   D462       0.08930  -0.00002   0.00069  -0.00012   0.00056   0.08986
   D463       3.12751  -0.00001   0.00155   0.00003   0.00158   3.12908
   D464       1.91001   0.00002  -0.00036   0.00018  -0.00019   1.90982
   D465      -2.29045   0.00002  -0.00008   0.00033   0.00022  -2.29023
   D466      -0.19761   0.00002  -0.00007   0.00033   0.00025  -0.19735
   D467      -1.13238   0.00001  -0.00119   0.00004  -0.00115  -1.13354
   D468       0.95034   0.00001  -0.00091   0.00019  -0.00075   0.94960
   D469       3.04318   0.00001  -0.00090   0.00019  -0.00071   3.04247
   D470      -1.63516   0.00000   0.00054   0.00038   0.00092  -1.63425
   D471       0.46940   0.00002   0.00069   0.00028   0.00097   0.47037
   D472       2.56091   0.00001   0.00046   0.00031   0.00077   2.56168
   D473       1.40758   0.00001   0.00135   0.00053   0.00188   1.40946
   D474      -2.77105   0.00003   0.00151   0.00042   0.00194  -2.76911
   D475      -0.67953   0.00002   0.00128   0.00046   0.00173  -0.67780
   D476      -0.01813   0.00034  -0.00555   0.00063  -0.00492  -0.02306
   D477       3.11366   0.00048  -0.00647   0.00681   0.00058   3.11425
   D478       3.09385   0.00030  -0.00683   0.00231  -0.00454   3.08931
   D479      -0.05753   0.00044  -0.00775   0.00849   0.00096  -0.05657
   D480      -0.06612  -0.00003  -0.01051  -0.00194  -0.01255  -0.07866
   D481       2.03961  -0.00016  -0.01117  -0.00241  -0.01365   2.02597
   D482      -2.17256   0.00006  -0.00798  -0.00208  -0.01017  -2.18273
   D483       3.08481  -0.00016  -0.00971  -0.00783  -0.01781   3.06699
   D484      -1.09265  -0.00029  -0.01037  -0.00830  -0.01891  -1.11156
   D485       0.97836  -0.00008  -0.00718  -0.00796  -0.01544   0.96293
   D486       0.21140  -0.00023  -0.06595  -0.01813  -0.08434   0.12706
   D487       2.29660  -0.00009  -0.05451  -0.01749  -0.07231   2.22429
   D488      -1.90361  -0.00008  -0.05851  -0.01684  -0.07572  -1.97934
   D489      -2.93942  -0.00010  -0.06685  -0.01230  -0.07915  -3.01857
   D490      -0.85422   0.00004  -0.05541  -0.01166  -0.06712  -0.92134
   D491       1.22875   0.00005  -0.05941  -0.01102  -0.07054   1.15822
         Item               Value     Threshold  Converged?
 Maximum Force            0.000482     0.000450     NO 
 RMS     Force            0.000050     0.000300     YES
 Maximum Displacement     0.169057     0.001800     NO 
 RMS     Displacement     0.011417     0.001200     NO 
 Predicted change in Energy=-4.866175D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:33:04 2016, MaxMem=  2952790016 cpu:         5.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.884806   -0.649853    1.712930
      2          6           0       -2.183814    0.974739   -1.436054
      3          8           0       -2.609083   -0.000780   -2.077795
      4          7           0       -0.933903    1.092531   -0.909599
      5          1           0       -2.820573    1.855609   -1.217660
      6          6           0       -0.537565    2.262134   -0.124195
      7          1           0       -1.393275    2.943226   -0.021626
      8          1           0       -0.206623    1.939883    0.876347
      9          1           0        0.296262    2.789394   -0.616306
     10          6           0        0.074857    0.046244   -1.089015
     11          1           0        0.609722   -0.108891   -0.139940
     12          1           0       -0.419200   -0.887514   -1.387761
     13          1           0        0.805486    0.340755   -1.860836
     14          6           0       -1.964162   -4.082218    2.637202
     15          8           0       -2.141243   -3.936063    3.858650
     16          7           0       -2.872863   -3.792024    1.666690
     17          1           0       -1.007124   -4.455930    2.222665
     18          6           0       -4.204790   -3.274884    1.990577
     19          1           0       -4.466419   -2.484935    1.268717
     20          1           0       -4.958928   -4.076966    1.926920
     21          1           0       -4.198002   -2.858675    3.006546
     22          6           0       -2.565273   -3.968698    0.247208
     23          1           0       -3.255535   -4.700647   -0.203323
     24          1           0       -2.678748   -3.007762   -0.281432
     25          1           0       -1.531158   -4.322859    0.133823
     26          6           0        1.512045    0.354516    2.624017
     27          8           0        1.361030    1.366805    3.328542
     28          7           0        1.133937   -0.907907    2.964042
     29          1           0        1.971985    0.401662    1.617165
     30          6           0        1.437291   -2.054857    2.107551
     31          1           0        2.206405   -2.692019    2.575788
     32          1           0        0.528202   -2.659455    1.960781
     33          1           0        1.797674   -1.700084    1.132311
     34          6           0        0.518217   -1.192266    4.262539
     35          1           0        1.280888   -1.501523    4.997657
     36          1           0        0.006080   -0.292076    4.625294
     37          1           0       -0.208706   -2.008932    4.142258
     38          6           0       -4.440626    1.520512    2.789060
     39          8           0       -4.621487    2.289769    1.831265
     40          7           0       -3.383873    1.551110    3.648092
     41          1           0       -5.140604    0.690482    3.017416
     42          6           0       -2.293416    2.516714    3.508925
     43          1           0       -2.443217    3.106005    2.596459
     44          1           0       -2.270164    3.185727    4.385578
     45          1           0       -1.332898    1.979544    3.456925
     46          6           0       -3.278975    0.618712    4.769622
     47          1           0       -4.077327   -0.133509    4.703600
     48          1           0       -2.298071    0.114969    4.741619
     49          1           0       -3.362858    1.160414    5.726655
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.555954   0.000000
     3  O    3.913498   1.242707   0.000000
     4  N    3.289039   1.361362   2.316514   0.000000
     5  H    3.967538   1.108644   2.056876   2.058328   0.000000
     6  C    3.697264   2.467488   3.637103   1.463528   2.563797
     7  H    4.020014   2.549608   3.791199   2.103471   2.156523
     8  H    3.197327   3.191862   4.273750   2.106310   3.350329
     9  H    4.691570   3.180525   4.285096   2.116287   3.308813
    10  C    3.489373   2.466603   2.860669   1.464412   3.416704
    11  H    3.154114   3.264660   3.758679   2.102039   4.097275
    12  H    3.437844   2.565966   2.461306   2.100985   3.649692
    13  H    4.581569   3.085172   3.438458   2.120258   3.982055
    14  C    3.555517   6.497112   6.269390   6.357614   7.131002
    15  O    3.933071   7.221611   7.137696   7.034247   7.731356
    16  N    3.294182   5.729209   5.335192   5.852838   6.341764
    17  H    3.939083   6.653043   6.395982   6.371959   7.413498
    18  C    3.514285   5.821120   5.460557   6.179324   6.207318
    19  H    3.198371   4.949284   4.562879   5.479233   5.266042
    20  H    4.608809   6.673123   6.178576   7.139354   7.046729
    21  H    3.450103   6.203927   6.045060   6.450005   6.478094
    22  C    3.691355   5.236072   4.599123   5.442023   6.011120
    23  H    4.686135   5.905778   5.101010   6.280901   6.648501
    24  H    3.188661   4.175933   3.503386   4.500164   4.954696
    25  H    4.013678   5.563723   4.973283   5.547242   6.454654
    26  C    3.657517   5.525235   6.262344   4.360478   5.981918
    27  O    4.148803   5.951555   6.845477   4.827399   6.196183
    28  N    3.277907   5.823458   6.344540   4.825226   6.384496
    29  H    3.998711   5.188567   5.899226   3.912291   5.754894
    30  C    3.628510   5.903218   6.173288   4.963044   6.669196
    31  H    4.653275   6.986702   7.217168   6.027625   7.767990
    32  H    3.150006   5.665764   5.763783   4.945122   6.457754
    33  H    3.873082   5.440902   5.710684   4.407903   6.284387
    34  C    3.545311   6.668646   7.169342   5.837804   7.104199
    35  H    4.640732   7.715482   8.212559   6.821297   8.168383
    36  H    3.490747   6.568135   7.201064   5.782365   6.836858
    37  H    3.249313   6.627284   6.963011   5.972121   7.105297
    38  C    3.521471   4.821063   5.418039   5.114719   4.334820
    39  O    4.018060   4.283332   4.957533   4.748051   3.567595
    40  N    3.291853   5.255558   5.982846   5.194727   4.907705
    41  H    3.754784   5.353205   5.731284   5.768832   4.967487
    42  C    3.663292   5.180976   6.135866   4.837347   4.801620
    43  H    3.898579   4.568451   5.615004   4.315617   4.031550
    44  H    4.690760   6.227947   7.214145   5.848586   5.785192
    45  H    3.203100   5.067044   6.015268   4.473535   4.907167
    46  C    3.591146   6.311620   6.907941   6.162582   6.130872
    47  H    3.744045   6.519889   6.939789   6.549221   6.371604
    48  H    3.150984   6.238261   6.827483   5.895154   6.230236
    49  H    4.644534   7.261475   7.926285   7.067128   7.000063
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098475   0.000000
     8  H    1.102022   1.794769   0.000000
     9  H    1.102471   1.797733   1.789575   0.000000
    10  C    2.493212   3.418660   2.743674   2.792373   0.000000
    11  H    2.634060   3.652590   2.428318   2.953851   1.100405
    12  H    3.395717   4.182071   3.628436   3.824485   1.097837
    13  H    2.917431   3.871705   3.327724   2.793564   1.102843
    14  C    7.064793   7.533402   6.515769   7.931828   5.923385
    15  O    7.540059   7.933512   6.867578   8.437917   6.726757
    16  N    6.731547   7.099520   6.370889   7.653136   5.569135
    17  H    7.131664   7.741671   6.584815   7.890076   5.692757
    18  C    6.969891   7.114666   6.664881   7.989417   6.231305
    19  H    6.317497   6.369783   6.154578   7.352210   5.708674
    20  H    7.996232   8.111339   7.738900   9.012876   7.171870
    21  H    7.030152   7.120280   6.595075   8.076148   6.593141
    22  C    6.562988   7.015736   6.392994   7.389577   4.987538
    23  H    7.474888   7.869551   7.386352   8.299792   5.865914
    24  H    5.690448   6.093784   5.650756   6.524557   4.190642
    25  H    6.664528   7.269056   6.444196   7.381484   4.812866
    26  C    3.923338   4.705500   2.919171   4.231602   3.993388
    27  O    4.040751   4.614643   2.966347   4.326583   4.786745
    28  N    4.730780   5.489284   3.776966   5.214463   4.296431
    29  H    3.576525   4.524396   2.767899   3.673922   3.323977
    30  C    5.245680   6.125874   4.491799   5.673457   4.060651
    31  H    6.273986   7.173579   5.492296   6.624500   5.047014
    32  H    5.450232   6.245963   4.782245   6.032009   4.102144
    33  H    4.767738   5.751005   4.163182   5.046515   3.309388
    34  C    5.682516   6.253812   4.669266   6.301271   5.510862
    35  H    6.610995   7.218043   5.571459   7.134287   6.395129
    36  H    5.420073   5.832602   4.368236   6.087203   5.724729
    37  H    6.045889   6.577614   5.124384   6.776641   5.627643
    38  C    4.926555   4.382969   4.664881   5.970317   6.132089
    39  O    4.528026   3.779096   4.530487   5.515840   5.968006
    40  N    4.778826   4.400830   4.234222   5.767308   6.055379
    41  H    5.790318   5.324764   5.521716   6.867961   6.669247
    42  C    4.043190   3.668372   3.408505   4.878352   5.731753
    43  H    3.427184   2.825464   3.053028   4.234011   5.411613
    44  H    4.918636   4.500132   4.257350   5.635820   6.732507
    45  H    3.679244   3.610076   2.815928   4.461080   5.136633
    46  C    5.845136   5.649362   5.132488   6.819268   6.774920
    47  H    6.447995   6.244854   5.824875   7.481514   7.129329
    48  H    5.602308   5.613038   4.758654   6.526138   6.295380
    49  H    6.590032   6.332489   5.839082   7.501726   7.714442
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794991   0.000000
    13  H    1.789410   1.797859   0.000000
    14  C    5.488600   5.365945   6.889556   0.000000
    15  O    6.180921   6.307449   7.725730   1.242841   0.000000
    16  N    5.381243   4.877121   6.561520   1.360825   2.315320
    17  H    5.205079   5.110227   6.555053   1.107891   2.057410
    18  C    6.143463   5.607441   7.280734   2.467859   2.860958
    19  H    5.779023   5.097903   6.750674   3.268846   3.770937
    20  H    7.143346   6.462882   8.190959   3.077849   3.419179
    21  H    6.369922   6.121663   7.678714   2.573619   2.473278
    22  C    5.012842   4.095418   5.863211   2.467041   3.636396
    23  H    6.002371   4.897722   6.682438   3.180988   4.280872
    24  H    4.386058   3.290132   5.083991   3.191162   4.276791
    25  H    4.734537   3.918324   5.584609   2.551922   3.794226
    26  C    2.944213   4.622414   4.540190   5.636381   5.768873
    27  O    3.843502   5.522199   5.318933   6.420802   6.377095
    28  N    3.247758   4.620696   4.994645   4.447616   4.549380
    29  H    2.281193   4.050842   3.668912   6.053008   6.384259
    30  C    3.085915   4.126312   4.678272   3.995073   4.405813
    31  H    4.073957   5.085249   5.553730   4.396595   4.700577
    32  H    3.305307   3.905135   4.866508   2.948504   3.515334
    33  H    2.358336   3.453340   3.756113   4.700071   5.286549
    34  C    4.534743   5.735635   6.318892   4.141949   3.842431
    35  H    5.365146   6.636330   7.117508   4.770962   4.351472
    36  H    4.806807   6.057412   6.565775   4.711638   4.298532
    37  H    4.755754   5.646502   6.525852   3.105693   2.743896
    38  C    6.061353   6.278239   7.108800   6.127521   6.017092
    39  O    6.083154   6.173854   6.847065   6.950764   7.001634
    40  N    5.749225   6.332139   7.025950   5.896767   5.630055
    41  H    6.608641   6.647354   7.699067   5.745695   5.577522
    42  C    5.351283   6.251319   6.570565   6.664399   6.464039
    43  H    5.209978   5.993234   6.169940   7.204283   7.160659
    44  H    6.295122   7.304027   7.521381   7.481543   7.142420
    45  H    4.590509   5.703144   5.961283   6.149422   5.984080
    46  C    6.305170   6.954164   7.792500   5.326789   4.782287
    47  H    6.740098   7.145285   8.195036   4.932319   4.349917
    48  H    5.686387   6.488792   7.299004   4.707063   4.149106
    49  H    7.197879   7.967060   8.695801   6.243898   5.563799
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056906   0.000000
    18  C    1.465048   3.416695   0.000000
    19  H    2.099115   4.094088   1.101613   0.000000
    20  H    2.121458   3.980934   1.102775   1.791747   0.000000
    21  H    2.102939   3.653409   1.097939   1.797715   1.796896
    22  C    1.463131   2.562744   2.491731   2.619043   2.926216
    23  H    2.113997   3.316724   2.783358   2.922759   2.797938
    24  H    2.109011   3.340961   2.749942   2.423237   3.349513
    25  H    2.105145   2.157679   3.419663   3.644407   3.876244
    26  C    6.110457   5.444968   6.801176   6.755838   7.873847
    27  O    6.877581   6.382425   7.369789   7.282715   8.458195
    28  N    5.104478   4.209780   5.920492   6.060126   6.945615
    29  H    6.407964   5.730438   7.197846   7.064482   8.257822
    30  C    4.667926   3.428347   5.773667   5.978495   6.710676
    31  H    5.275929   3.682776   6.464180   6.802785   7.326739
    32  H    3.596727   2.377631   4.772929   5.045359   5.667370
    33  H    5.145453   4.080496   6.264678   6.314544   7.206431
    34  C    4.999659   4.139957   5.639672   5.956556   6.616323
    35  H    5.796153   4.654471   6.502308   6.921245   7.416040
    36  H    5.412143   4.912930   5.793989   6.006537   6.801318
    37  H    4.050381   3.210935   4.711799   5.158675   5.634634
    38  C    5.651605   6.915750   4.867137   4.284357   5.687151
    39  O    6.330322   7.662980   5.582507   4.810230   6.376389
    40  N    5.721553   6.615535   5.168315   4.808637   6.092493
    41  H    5.201921   6.648522   4.201700   3.687242   4.893951
    42  C    6.597709   7.206024   6.285010   5.895504   7.285899
    43  H    6.973656   7.706163   6.647254   6.092197   7.640168
    44  H    7.512963   8.041665   7.156697   6.833357   8.125341
    45  H    6.235979   6.560857   6.164979   5.876971   7.222903
    46  C    5.408115   6.115577   4.872404   4.826902   5.740435
    47  H    4.904926   5.853590   4.152708   4.180792   4.902860
    48  H    5.005015   5.376317   4.763918   4.849977   5.707452
    49  H    6.422621   7.026432   5.859949   5.863415   6.664502
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.392919   0.000000
    23  H    3.818948   1.102357   0.000000
    24  H    3.625074   1.102604   1.790153   0.000000
    25  H    4.184308   1.098945   1.797184   1.794124   0.000000
    26  C    6.563197   6.400306   7.501889   6.108133   6.110645
    27  O    6.990079   7.306029   8.402424   6.963372   7.137454
    28  N    5.677753   5.516682   6.609429   5.429462   5.174434
    29  H    7.115400   6.446979   7.528261   6.071092   6.065757
    30  C    5.762885   4.810840   5.861993   4.853560   4.225059
    31  H    6.421040   5.460870   6.449095   5.668167   4.753125
    32  H    4.844618   3.770946   4.813157   3.928532   3.216465
    33  H    6.387740   4.996531   6.026792   4.873094   4.353969
    34  C    5.157243   5.774025   6.818641   5.845022   5.571969
    35  H    5.985368   6.591409   7.606821   6.768771   6.286845
    36  H    5.184794   6.268735   7.306790   6.217653   6.227649
    37  H    4.233956   4.956359   5.950846   5.164087   4.813593
    38  C    4.391292   6.333197   7.004400   5.747817   7.047004
    39  O    5.297839   6.775371   7.407516   6.025078   7.493884
    40  N    4.529966   6.534860   7.344000   6.059841   7.091273
    41  H    3.672211   6.001195   6.556746   5.533547   6.817389
    42  C    5.724914   7.264521   8.172929   6.710821   7.664992
    43  H    6.230959   7.455555   8.333215   6.761352   7.879368
    44  H    6.492541   8.270368   9.177357   7.765773   8.660393
    45  H    5.640924   6.870416   7.856138   6.376508   7.127594
    46  C    4.005655   6.481198   7.281917   6.246978   6.997472
    47  H    3.212645   6.070784   6.753665   5.921816   6.701977
    48  H    3.932273   6.078442   6.968454   5.926838   6.443155
    49  H    4.924382   7.547733   8.338357   7.344305   8.043704
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242534   0.000000
    28  N    1.360989   2.314896   0.000000
    29  H    1.107935   2.057566   2.057030   0.000000
    30  C    2.465238   3.633786   1.463248   2.561418   0.000000
    31  H    3.125033   4.213709   2.117542   3.247271   1.103067
    32  H    3.239112   4.333029   2.107456   3.401914   1.101600
    33  H    2.555025   3.797354   2.103172   2.163979   1.098560
    34  C    2.462718   2.851584   1.464946   3.413510   2.496544
    35  H    3.021999   3.319589   2.123574   3.940489   2.946753
    36  H    2.586720   2.503865   2.100254   3.659904   3.390397
    37  H    3.294226   3.810748   2.098366   4.116123   2.617527
    38  C    6.068037   5.828711   6.083057   6.614132   6.913582
    39  O    6.480268   6.235721   6.680809   6.861827   7.460623
    40  N    5.143013   4.759221   5.188958   5.842184   6.214490
    41  H    6.672733   6.544116   6.475149   7.254863   7.185641
    42  C    4.465389   3.835337   4.875620   5.123070   6.064758
    43  H    4.818252   4.246535   5.389122   5.269393   6.475482
    44  H    5.042218   4.196591   5.510581   5.780221   6.811633
    45  H    3.380555   2.765715   3.829566   4.098376   5.076529
    46  C    5.256167   4.915893   5.006443   6.128432   6.039681
    47  H    5.983637   5.806674   5.548245   6.812244   6.390780
    48  H    4.365616   4.117390   3.998091   5.298848   5.059584
    49  H    5.834425   5.301761   5.668434   6.776737   6.817427
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787640   0.000000
    33  H    1.798505   1.793966   0.000000
    34  C    2.818575   2.729622   3.419535   0.000000
    35  H    2.852948   3.336160   3.904792   1.103497   0.000000
    36  H    3.847289   3.602322   4.170519   1.097368   1.796260
    37  H    2.958580   2.392709   3.630528   1.099922   1.791107
    38  C    7.872351   6.545794   7.213421   5.841269   6.837128
    39  O    8.484847   7.143591   7.590329   6.667250   7.696621
    40  N    7.099661   5.990009   6.614216   4.809362   5.735843
    41  H    8.100301   6.668877   7.576815   6.092399   7.068366
    42  C    6.946224   6.095163   6.337721   4.714844   5.580162
    43  H    7.432125   6.517204   6.574753   5.479147   6.392498
    44  H    7.606767   6.919296   7.141583   5.192016   5.912269
    45  H    5.926767   5.217514   5.361341   3.759790   4.617744
    46  C    6.772240   5.755916   6.661773   4.237386   5.033860
    47  H    7.110475   5.925738   7.051518   4.736510   5.537906
    48  H    5.732391   4.839247   5.752969   3.141633   3.935423
    49  H    7.468995   6.626731   7.478071   4.768803   5.402011
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796400   0.000000
    38  C    5.141053   5.674263   0.000000
    39  O    5.990568   6.579677   1.241707   0.000000
    40  N    3.980457   4.795809   1.362204   2.319087   0.000000
    41  H    5.480789   5.733735   1.109534   2.057706   2.055367
    42  C    3.797798   5.022808   2.474092   2.878534   1.463166
    43  H    4.654265   5.791814   2.557445   2.448801   2.099634
    44  H    4.163396   5.594041   3.167446   3.585523   2.110973
    45  H    2.884130   4.200170   3.211654   3.681552   2.103948
    46  C    3.412030   4.089578   2.466841   3.637130   1.462259
    47  H    4.087235   4.335729   2.556020   3.797195   2.105449
    48  H    2.342719   3.039019   3.221580   4.312560   2.106482
    49  H    3.830466   4.743811   3.149718   4.246605   2.115067
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418067   0.000000
    43  H    3.645250   1.096493   0.000000
    44  H    4.041972   1.103014   1.799236   0.000000
    45  H    4.043943   1.101749   1.800590   1.787664   0.000000
    46  C    2.557546   2.482559   3.407016   2.784737   2.713347
    47  H    2.157020   3.410758   4.195808   3.792665   3.681179
    48  H    3.374031   2.699618   3.683623   3.091456   2.461430
    49  H    3.274323   2.810976   3.798577   2.663524   3.153314
                   46         47         48         49
    46  C    0.000000
    47  H    1.098891   0.000000
    48  H    1.103047   1.796925   0.000000
    49  H    1.102901   1.797594   1.788022   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2155535      0.1875282      0.1839864
 Leave Link  202 at Mon Nov 14 00:33:04 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1845.1867531134 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1832858461 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1845.0034672673 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4055
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.48D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     236
 GePol: Fraction of low-weight points (<1% of avg)   =       5.82%
 GePol: Cavity surface area                          =    468.174 Ang**2
 GePol: Cavity volume                                =    458.252 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040458687 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1844.9994213986 Hartrees.
 Leave Link  301 at Mon Nov 14 00:33:04 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37504.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:33:05 2016, MaxMem=  2952790016 cpu:        15.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:33:05 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000433    0.003404    0.003101
         Rot=    1.000000   -0.000342    0.000269   -0.000457 Ang=  -0.07 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50882755186    
 Leave Link  401 at Mon Nov 14 00:33:12 2016, MaxMem=  2952790016 cpu:        79.1
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49329075.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.07D-14 for    514.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.69D-15 for   2345    434.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.10D-14 for   2515.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.23D-09 for   1977   1950.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.77D-15 for     28.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.12D-14 for   1556    415.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   2649.
 Iteration    2 A^-1*A deviation from orthogonality  is 7.84D-16 for   2339    417.
 E= -1013.44887131647    
 DIIS: error= 1.22D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44887131647     IErMin= 1 ErrMin= 1.22D-03
 ErrMax= 1.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.43D-04 BMatP= 9.43D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.22D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 GapD=    0.326 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.53D-04 MaxDP=1.03D-02              OVMax= 1.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.53D-04    CP:  1.00D+00
 E= -1013.45064173117     Delta-E=       -0.001770414696 Rises=F Damp=F
 DIIS: error= 9.05D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45064173117     IErMin= 2 ErrMin= 9.05D-05
 ErrMax= 9.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.57D-06 BMatP= 9.43D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-01 0.989D+00
 Coeff:      0.106D-01 0.989D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.25D-05 MaxDP=1.56D-03 DE=-1.77D-03 OVMax= 1.94D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.22D-05    CP:  1.00D+00  9.80D-01
 E= -1013.45061892318     Delta-E=        0.000022807994 Rises=F Damp=F
 DIIS: error= 2.26D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45064173117     IErMin= 2 ErrMin= 9.05D-05
 ErrMax= 2.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-05 BMatP= 7.57D-06
 IDIUse=3 WtCom= 4.00D-01 WtEn= 6.00D-01
 Coeff-Com:  0.133D-02 0.699D+00 0.300D+00
 Coeff-En:   0.000D+00 0.776D+00 0.224D+00
 Coeff:      0.533D-03 0.745D+00 0.254D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.40D-05 MaxDP=1.09D-03 DE= 2.28D-05 OVMax= 1.49D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.77D-06    CP:  1.00D+00  9.84D-01  4.51D-01
 E= -1013.45064794472     Delta-E=       -0.000029021545 Rises=F Damp=F
 DIIS: error= 2.83D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45064794472     IErMin= 4 ErrMin= 2.83D-05
 ErrMax= 2.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-07 BMatP= 7.57D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.669D-04 0.292D+00 0.101D+00 0.608D+00
 Coeff:     -0.669D-04 0.292D+00 0.101D+00 0.608D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.33D-06 MaxDP=1.80D-04 DE=-2.90D-05 OVMax= 2.15D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.39D-06    CP:  1.00D+00  9.87D-01  4.02D-01  7.03D-01
 E= -1013.45064829778     Delta-E=       -0.000000353054 Rises=F Damp=F
 DIIS: error= 2.73D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45064829778     IErMin= 5 ErrMin= 2.73D-05
 ErrMax= 2.73D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-07 BMatP= 5.63D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.835D-04 0.140D+00 0.424D-01 0.411D+00 0.407D+00
 Coeff:     -0.835D-04 0.140D+00 0.424D-01 0.411D+00 0.407D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.15D-06 MaxDP=9.18D-05 DE=-3.53D-07 OVMax= 1.20D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.35D-07    CP:  1.00D+00  9.87D-01  3.93D-01  7.28D-01  6.51D-01
 E= -1013.45064849078     Delta-E=       -0.000000193008 Rises=F Damp=F
 DIIS: error= 2.61D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45064849078     IErMin= 6 ErrMin= 2.61D-06
 ErrMax= 2.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.03D-09 BMatP= 2.13D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.427D-04 0.557D-01 0.163D-01 0.177D+00 0.203D+00 0.548D+00
 Coeff:     -0.427D-04 0.557D-01 0.163D-01 0.177D+00 0.203D+00 0.548D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.01D-07 MaxDP=1.22D-05 DE=-1.93D-07 OVMax= 1.51D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.74D-07    CP:  1.00D+00  9.87D-01  3.93D-01  7.30D-01  6.40D-01
                    CP:  8.73D-01
 E= -1013.45064849414     Delta-E=       -0.000000003358 Rises=F Damp=F
 DIIS: error= 6.49D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45064849414     IErMin= 7 ErrMin= 6.49D-07
 ErrMax= 6.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.67D-10 BMatP= 4.03D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-04 0.736D-02 0.207D-02 0.286D-01 0.413D-01 0.282D+00
 Coeff-Com:  0.639D+00
 Coeff:     -0.113D-04 0.736D-02 0.207D-02 0.286D-01 0.413D-01 0.282D+00
 Coeff:      0.639D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.89D-08 MaxDP=4.26D-06 DE=-3.36D-09 OVMax= 3.49D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.55D-08    CP:  1.00D+00  9.87D-01  3.93D-01  7.32D-01  6.38D-01
                    CP:  8.79D-01  7.97D-01
 E= -1013.45064849461     Delta-E=       -0.000000000466 Rises=F Damp=F
 DIIS: error= 9.06D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45064849461     IErMin= 8 ErrMin= 9.06D-08
 ErrMax= 9.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-11 BMatP= 4.67D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.399D-05 0.155D-02 0.487D-03 0.694D-02 0.116D-01 0.103D+00
 Coeff-Com:  0.275D+00 0.602D+00
 Coeff:     -0.399D-05 0.155D-02 0.487D-03 0.694D-02 0.116D-01 0.103D+00
 Coeff:      0.275D+00 0.602D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.81D-08 MaxDP=9.06D-07 DE=-4.66D-10 OVMax= 1.34D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.43D-08    CP:  1.00D+00  9.87D-01  3.93D-01  7.32D-01  6.41D-01
                    CP:  8.82D-01  7.95D-01  8.05D-01
 E= -1013.45064849456     Delta-E=        0.000000000051 Rises=F Damp=F
 DIIS: error= 9.97D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45064849461     IErMin= 8 ErrMin= 9.06D-08
 ErrMax= 9.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.43D-12 BMatP= 1.35D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.176D-05 0.350D-03 0.143D-03 0.206D-02 0.420D-02 0.463D-01
 Coeff-Com:  0.138D+00 0.453D+00 0.356D+00
 Coeff:     -0.176D-05 0.350D-03 0.143D-03 0.206D-02 0.420D-02 0.463D-01
 Coeff:      0.138D+00 0.453D+00 0.356D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.30D-09 MaxDP=6.76D-07 DE= 5.14D-11 OVMax= 1.01D-06

 Error on total polarization charges =  0.04251
 SCF Done:  E(RB97D) =  -1013.45064849     A.U. after    9 cycles
            NFock=  9  Conv=0.93D-08     -V/T= 2.0213
 KE= 9.923539075995D+02 PE=-6.021329180864D+03 EE= 2.170525203371D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:35:04 2016, MaxMem=  2952790016 cpu:      1284.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37504.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 00:35:13 2016, MaxMem=  2952790016 cpu:        97.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:35:13 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:35:49 2016, MaxMem=  2952790016 cpu:       439.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.58069875D+00-2.96994708D+00 3.46513971D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000403070    0.001293283   -0.000638653
      2        6          -0.000284348   -0.000005589   -0.000155237
      3        8           0.000050980    0.000016879    0.000001112
      4        7           0.000207272    0.000044440   -0.000250617
      5        1           0.000072454   -0.000115620    0.000277179
      6        6           0.000124389   -0.000021093    0.000180506
      7        1           0.000055733    0.000036024   -0.000014315
      8        1           0.000069900   -0.000011957    0.000052722
      9        1           0.000018600   -0.000042161   -0.000020017
     10        6           0.000049305   -0.000094293   -0.000025997
     11        1           0.000035506   -0.000109194    0.000016594
     12        1          -0.000000213    0.000007287    0.000000211
     13        1           0.000038014   -0.000001357    0.000048557
     14        6          -0.000015810    0.000021936    0.000022470
     15        8          -0.000043209   -0.000023049   -0.000018607
     16        7          -0.000062893    0.000022203    0.000009240
     17        1          -0.000031733    0.000012498   -0.000024388
     18        6          -0.000024445   -0.000005306    0.000029119
     19        1          -0.000023078    0.000029873    0.000001726
     20        1          -0.000037009    0.000031508   -0.000030621
     21        1           0.000045351    0.000070286   -0.000059355
     22        6          -0.000100148   -0.000015718    0.000135241
     23        1          -0.000006236    0.000023120   -0.000047348
     24        1          -0.000085583    0.000039995   -0.000001953
     25        1          -0.000010517    0.000018353   -0.000023633
     26        6           0.000064014   -0.000101073   -0.000028006
     27        8          -0.000096302   -0.000012031    0.000021463
     28        7           0.000002717   -0.000046810    0.000043272
     29        1           0.000068041   -0.000019224    0.000057620
     30        6          -0.000072077   -0.000094963   -0.000027724
     31        1          -0.000030729    0.000019826    0.000090145
     32        1           0.000052848    0.000057515    0.000037104
     33        1           0.000041528   -0.000031985    0.000022175
     34        6          -0.000037076   -0.000015913    0.000071552
     35        1          -0.000022745   -0.000027475    0.000012639
     36        1          -0.000043703   -0.000003400   -0.000055098
     37        1           0.000001172   -0.000037226    0.000013233
     38        6           0.000072070   -0.000218642    0.000533128
     39        8           0.000437075   -0.000400870   -0.000464777
     40        7          -0.000440896    0.000744493   -0.000044698
     41        1          -0.000398723    0.000442007    0.000266630
     42        6          -0.000112588   -0.000330553    0.000221085
     43        1           0.000110012   -0.000135596   -0.000050534
     44        1           0.000036571    0.000158302   -0.000178456
     45        1          -0.000041867    0.000013284    0.000136736
     46        6           0.000622793   -0.000744105    0.000023354
     47        1           0.000112311   -0.000301476   -0.000074972
     48        1          -0.000710649   -0.000183198    0.000037104
     49        1          -0.000059149    0.000046766   -0.000126910
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001293283 RMS     0.000214747
 Leave Link  716 at Mon Nov 14 00:35:50 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000597149 RMS     0.000054619
 Search for a local minimum.
 Step number   7 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .54619D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    5    6    7
 DE= -7.03D-05 DEPred=-4.87D-05 R= 1.44D+00
 TightC=F SS=  1.41D+00  RLast= 2.97D-01 DXNew= 1.1394D+00 8.8998D-01
 Trust test= 1.44D+00 RLast= 2.97D-01 DXMaxT set to 8.90D-01
 ITU=  1  1  1  1  1  1  0
     Eigenvalues ---    0.00085   0.00342   0.00360   0.00382   0.00388
     Eigenvalues ---    0.00537   0.00685   0.00755   0.00771   0.00824
     Eigenvalues ---    0.00888   0.00904   0.01021   0.01025   0.01031
     Eigenvalues ---    0.01055   0.01225   0.01259   0.01352   0.01378
     Eigenvalues ---    0.01385   0.01394   0.01510   0.01535   0.01606
     Eigenvalues ---    0.01676   0.01759   0.01777   0.01859   0.01892
     Eigenvalues ---    0.01935   0.01969   0.02054   0.02114   0.02133
     Eigenvalues ---    0.02162   0.02269   0.02487   0.02830   0.02911
     Eigenvalues ---    0.03215   0.03619   0.03860   0.04167   0.04281
     Eigenvalues ---    0.04653   0.05055   0.05270   0.05581   0.05691
     Eigenvalues ---    0.06004   0.06078   0.06150   0.06252   0.06969
     Eigenvalues ---    0.07677   0.07714   0.07759   0.07973   0.08013
     Eigenvalues ---    0.08068   0.08124   0.08398   0.08476   0.08601
     Eigenvalues ---    0.08622   0.08721   0.08783   0.08915   0.09151
     Eigenvalues ---    0.09310   0.09649   0.09806   0.09986   0.10017
     Eigenvalues ---    0.10141   0.10322   0.10519   0.10521   0.10576
     Eigenvalues ---    0.10643   0.10787   0.11129   0.11338   0.11395
     Eigenvalues ---    0.11531   0.11727   0.11866   0.12782   0.13355
     Eigenvalues ---    0.13780   0.14456   0.14687   0.15320   0.15626
     Eigenvalues ---    0.15910   0.16736   0.22034   0.23149   0.23750
     Eigenvalues ---    0.23978   0.24559   0.25044   0.25387   0.26523
     Eigenvalues ---    0.26952   0.27617   0.27999   0.29261   0.29795
     Eigenvalues ---    0.29941   0.30078   0.32718   0.32744   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33398   0.33414   0.33416   0.33426   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33830   0.33891   0.33915
     Eigenvalues ---    0.33942   0.33999   0.34180   0.37094   0.39561
     Eigenvalues ---    0.40727   0.41554   0.85943   0.85987   0.86094
     Eigenvalues ---    0.86697
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     7    6    5    4    3
 RFO step:  Lambda=-8.55872823D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  6.82D-05 SmlDif=  1.00D-05
 RMS Error=  0.2101834779D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.42097   -0.35570   -0.84869    1.01742   -0.23400
 Iteration  1 RMS(Cart)=  0.00443185 RMS(Int)=  0.00005929
 Iteration  2 RMS(Cart)=  0.00005039 RMS(Int)=  0.00001991
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00001991
 ITry= 1 IFail=0 DXMaxC= 6.46D-02 DCOld= 1.00D+10 DXMaxT= 8.90D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.71978  -0.00009  -0.00324  -0.00377  -0.00700   6.71278
    R2        6.21538  -0.00001  -0.00002   0.00066   0.00064   6.21603
    R3        6.98682  -0.00004   0.00268   0.00198   0.00466   6.99148
    R4        6.04207   0.00001   0.00303   0.00209   0.00512   6.04719
    R5        6.59396   0.00007  -0.00076   0.00021  -0.00054   6.59342
    R6        5.96041   0.00004  -0.00013   0.00037   0.00024   5.96065
    R7        6.71895  -0.00003   0.00016  -0.00021  -0.00005   6.71890
    R8        6.22510  -0.00001   0.00029  -0.00026   0.00003   6.22513
    R9        6.64104  -0.00003   0.00060  -0.00167  -0.00107   6.63996
   R10        6.04405  -0.00001   0.00011  -0.00086  -0.00075   6.04330
   R11        6.97565  -0.00001   0.00017   0.00005   0.00022   6.97587
   R12        6.02570   0.00000  -0.00048  -0.00015  -0.00062   6.02507
   R13        6.91171   0.00000  -0.00082   0.00009  -0.00073   6.91098
   R14        6.19435   0.00002   0.00004   0.00005   0.00008   6.19443
   R15        6.85689   0.00007   0.00069   0.00115   0.00184   6.85873
   R16        5.95265   0.00002   0.00091   0.00105   0.00196   5.95461
   R17        6.69967  -0.00006  -0.00047  -0.00144  -0.00192   6.69775
   R18        6.65462  -0.00010   0.00065  -0.00103  -0.00045   6.65416
   R19        6.22070   0.00000   0.00230   0.00161   0.00391   6.22461
   R20        6.92262  -0.00021  -0.00569  -0.00705  -0.01274   6.90988
   R21        6.05298  -0.00003  -0.00298  -0.00342  -0.00635   6.04663
   R22        6.78628   0.00000  -0.00048   0.00189   0.00163   6.78792
   R23        5.95450   0.00005  -0.02353  -0.00648  -0.03019   5.92430
   R24        2.34838   0.00000   0.00001  -0.00003  -0.00002   2.34836
   R25        2.57260   0.00011   0.00005   0.00015   0.00019   2.57280
   R26        2.09503  -0.00008  -0.00004  -0.00005  -0.00009   2.09494
   R27        2.76567   0.00006   0.00005   0.00015   0.00020   2.76587
   R28        2.76734   0.00001   0.00008   0.00009   0.00016   2.76750
   R29        2.07582   0.00000   0.00000   0.00002   0.00002   2.07583
   R30        2.08252   0.00001   0.00009   0.00000   0.00009   2.08261
   R31        2.08337  -0.00002  -0.00002  -0.00003  -0.00004   2.08333
   R32        2.07946   0.00004   0.00000   0.00008   0.00008   2.07955
   R33        2.07461   0.00001   0.00000   0.00002   0.00002   2.07463
   R34        2.08407  -0.00002  -0.00003  -0.00003  -0.00006   2.08401
   R35        2.34863   0.00000   0.00001   0.00000   0.00001   2.34864
   R36        2.57159   0.00000   0.00000  -0.00003  -0.00004   2.57155
   R37        2.09361   0.00000   0.00001   0.00000   0.00001   2.09362
   R38        2.76854  -0.00003  -0.00010  -0.00008  -0.00018   2.76836
   R39        2.76492  -0.00003   0.00001  -0.00014  -0.00014   2.76477
   R40        2.08175   0.00000  -0.00003  -0.00002  -0.00005   2.08169
   R41        2.08394   0.00000   0.00000   0.00001   0.00001   2.08395
   R42        2.07480  -0.00001   0.00001  -0.00001   0.00000   2.07481
   R43        2.08315   0.00000  -0.00001   0.00000  -0.00001   2.08314
   R44        2.08362   0.00004   0.00000   0.00007   0.00006   2.08368
   R45        2.07671   0.00000   0.00001   0.00000   0.00001   2.07671
   R46        2.34805   0.00002   0.00001   0.00001   0.00002   2.34807
   R47        2.57190  -0.00002   0.00005  -0.00002   0.00004   2.57193
   R48        2.09369   0.00000  -0.00001   0.00001   0.00000   2.09370
   R49        2.76514  -0.00004   0.00007  -0.00003   0.00004   2.76518
   R50        2.76835   0.00001   0.00002  -0.00002  -0.00001   2.76834
   R51        2.08449   0.00000  -0.00001  -0.00001  -0.00002   2.08448
   R52        2.08172  -0.00002   0.00008  -0.00014  -0.00007   2.08165
   R53        2.07598   0.00001  -0.00001   0.00000  -0.00001   2.07596
   R54        2.08531   0.00000  -0.00001   0.00000  -0.00001   2.08530
   R55        2.07373   0.00001   0.00001   0.00006   0.00007   2.07380
   R56        2.07855  -0.00001  -0.00002  -0.00003  -0.00005   2.07850
   R57        2.34649   0.00003   0.00016  -0.00012   0.00003   2.34652
   R58        2.57419  -0.00016   0.00000  -0.00042  -0.00041   2.57378
   R59        2.09672   0.00000  -0.00024   0.00002  -0.00022   2.09649
   R60        2.76498  -0.00003  -0.00013  -0.00029  -0.00045   2.76454
   R61        2.76327   0.00029  -0.00063   0.00088   0.00021   2.76348
   R62        2.07207  -0.00004   0.00002   0.00017   0.00019   2.07226
   R63        2.08440  -0.00005  -0.00011  -0.00013  -0.00025   2.08415
   R64        2.08200  -0.00007  -0.00010  -0.00024  -0.00033   2.08167
   R65        2.07660   0.00012  -0.00009   0.00024   0.00015   2.07676
   R66        2.08446  -0.00034   0.00076  -0.00169  -0.00102   2.08343
   R67        2.08418  -0.00008   0.00000  -0.00017  -0.00016   2.08402
    A1        0.69319   0.00003  -0.00003   0.00008   0.00005   0.69324
    A2        0.97928   0.00003  -0.00008   0.00002  -0.00006   0.97922
    A3        0.71513   0.00002   0.00025   0.00026   0.00051   0.71564
    A4        1.00975   0.00002   0.00026   0.00026   0.00052   1.01028
    A5        2.30415  -0.00001  -0.00039  -0.00018  -0.00057   2.30359
    A6        1.98028  -0.00001  -0.00032  -0.00013  -0.00045   1.97983
    A7        1.93447  -0.00002  -0.00018  -0.00002  -0.00019   1.93428
    A8        1.64212  -0.00002  -0.00004  -0.00014  -0.00018   1.64194
    A9        1.61445  -0.00001  -0.00036  -0.00014  -0.00049   1.61396
   A10        1.33155  -0.00002  -0.00034  -0.00014  -0.00048   1.33107
   A11        1.74490   0.00003   0.00005   0.00011   0.00016   1.74507
   A12        2.03913   0.00003   0.00000   0.00010   0.00010   2.03923
   A13        1.92858   0.00003  -0.00015   0.00013  -0.00001   1.92857
   A14        2.01037   0.00001  -0.00032  -0.00008  -0.00040   2.00997
   A15        2.43988   0.00003   0.00009   0.00017   0.00026   2.44014
   A16        1.49875   0.00001   0.00159   0.00122   0.00279   1.50153
   A17        1.74856   0.00000   0.00087   0.00053   0.00139   1.74995
   A18        1.60066   0.00001  -0.00053  -0.00061  -0.00114   1.59952
   A19        1.69271   0.00003   0.00000   0.00052   0.00053   1.69323
   A20        2.16485   0.00005   0.00097   0.00065   0.00163   2.16648
   A21        2.38804   0.00004   0.00232   0.00206   0.00438   2.39242
   A22        0.66087   0.00002  -0.00007  -0.00005  -0.00011   0.66075
   A23        0.66338   0.00000   0.00002  -0.00002   0.00000   0.66338
   A24        2.38203  -0.00001  -0.00035  -0.00026  -0.00061   2.38141
   A25        2.19055  -0.00001  -0.00021  -0.00008  -0.00029   2.19026
   A26        2.27780   0.00000  -0.00002   0.00017   0.00015   2.27795
   A27        2.01149   0.00000   0.00016   0.00008   0.00024   2.01174
   A28        1.78543   0.00000  -0.00021  -0.00007  -0.00028   1.78515
   A29        1.53580  -0.00001  -0.00022  -0.00006  -0.00028   1.53552
   A30        1.35374   0.00001  -0.00015  -0.00013  -0.00028   1.35346
   A31        1.65067   0.00000  -0.00020  -0.00016  -0.00036   1.65030
   A32        1.59795   0.00000  -0.00032  -0.00015  -0.00047   1.59748
   A33        1.75100  -0.00001  -0.00044  -0.00034  -0.00079   1.75022
   A34        2.04711   0.00001  -0.00012  -0.00009  -0.00020   2.04691
   A35        1.69814   0.00003   0.00216   0.00178   0.00394   1.70208
   A36        1.81955   0.00002   0.00127   0.00090   0.00217   1.82172
   A37        1.53603   0.00002  -0.00004  -0.00025  -0.00029   1.53574
   A38        1.52022   0.00003   0.00028   0.00066   0.00095   1.52117
   A39        2.21905   0.00007   0.00053   0.00061   0.00116   2.22021
   A40        2.31277   0.00009   0.00287   0.00283   0.00571   2.31847
   A41        0.70631   0.00001  -0.00011  -0.00011  -0.00022   0.70609
   A42        0.77394   0.00001  -0.00015  -0.00010  -0.00025   0.77369
   A43        2.68515   0.00000  -0.00034  -0.00036  -0.00071   2.68445
   A44        2.59362   0.00001  -0.00039  -0.00020  -0.00059   2.59303
   A45        2.62220   0.00001  -0.00017   0.00009  -0.00009   2.62211
   A46        2.31448   0.00001  -0.00006   0.00000  -0.00006   2.31442
   A47        2.18707   0.00001  -0.00038  -0.00018  -0.00055   2.18652
   A48        1.94159   0.00000  -0.00041  -0.00018  -0.00059   1.94100
   A49        1.12528   0.00000  -0.00001  -0.00008  -0.00009   1.12519
   A50        1.48678  -0.00001  -0.00001  -0.00011  -0.00012   1.48665
   A51        1.59619  -0.00001  -0.00022  -0.00017  -0.00039   1.59581
   A52        1.83634  -0.00002  -0.00034  -0.00037  -0.00070   1.83563
   A53        1.80375  -0.00001   0.00014  -0.00002   0.00012   1.80387
   A54        1.50163   0.00003   0.00242   0.00201   0.00443   1.50606
   A55        1.50218   0.00002   0.00151   0.00107   0.00257   1.50476
   A56        1.16303   0.00001   0.00034   0.00000   0.00034   1.16337
   A57        1.11655   0.00002   0.00051   0.00079   0.00131   1.11786
   A58        1.86104   0.00006   0.00041   0.00058   0.00101   1.86204
   A59        1.91158   0.00008   0.00307   0.00297   0.00604   1.91762
   A60        0.84135   0.00001   0.00025   0.00015   0.00040   0.84175
   A61        0.78451   0.00001   0.00029   0.00023   0.00052   0.78503
   A62        2.60930  -0.00001   0.00048   0.00012   0.00060   2.60990
   A63        2.75540   0.00000   0.00025   0.00012   0.00038   2.75578
   A64        2.59067   0.00002  -0.00034  -0.00020  -0.00054   2.59013
   A65        2.37618   0.00001   0.00014   0.00012   0.00026   2.37644
   A66        2.17242   0.00001  -0.00007   0.00002  -0.00005   2.17237
   A67        0.87016  -0.00001   0.00034   0.00018   0.00052   0.87068
   A68        1.24534  -0.00001   0.00041   0.00018   0.00059   1.24593
   A69        1.43189  -0.00002   0.00036   0.00019   0.00055   1.43244
   A70        1.70647  -0.00003   0.00031   0.00004   0.00036   1.70682
   A71        1.52711  -0.00001   0.00039   0.00016   0.00055   1.52766
   A72        1.53248   0.00003   0.00179   0.00158   0.00336   1.53585
   A73        1.42152   0.00002   0.00099   0.00074   0.00172   1.42325
   A74        1.03175   0.00001   0.00019  -0.00006   0.00013   1.03188
   A75        0.91111   0.00002   0.00034   0.00062   0.00096   0.91207
   A76        1.71162   0.00006  -0.00035   0.00012  -0.00022   1.71140
   A77        1.69485   0.00008   0.00271   0.00280   0.00551   1.70036
   A78        1.99748  -0.00001  -0.00035  -0.00028  -0.00063   1.99686
   A79        1.92566  -0.00001  -0.00017  -0.00010  -0.00027   1.92539
   A80        2.19346   0.00000  -0.00002   0.00013   0.00011   2.19357
   A81        2.04457  -0.00001   0.00026   0.00009   0.00035   2.04491
   A82        1.53483   0.00000  -0.00011  -0.00002  -0.00013   1.53470
   A83        1.35422   0.00000  -0.00012  -0.00001  -0.00013   1.35409
   A84        1.18495   0.00001  -0.00018  -0.00012  -0.00030   1.18466
   A85        1.37452   0.00001  -0.00031  -0.00016  -0.00046   1.37406
   A86        1.21364   0.00000  -0.00040  -0.00013  -0.00052   1.21312
   A87        1.32868  -0.00001  -0.00052  -0.00033  -0.00085   1.32783
   A88        1.80013   0.00001  -0.00027  -0.00007  -0.00034   1.79979
   A89        2.12945   0.00003   0.00222   0.00179   0.00401   2.13346
   A90        2.20734   0.00003   0.00139   0.00096   0.00235   2.20969
   A91        1.85864   0.00002   0.00035   0.00000   0.00035   1.85899
   A92        1.74841   0.00003   0.00059   0.00074   0.00134   1.74975
   A93        2.55179   0.00007  -0.00001   0.00032   0.00033   2.55212
   A94        2.49321   0.00010   0.00246   0.00264   0.00509   2.49831
   A95        1.91339  -0.00001  -0.00014  -0.00025  -0.00039   1.91300
   A96        1.97422  -0.00001   0.00006  -0.00007  -0.00002   1.97420
   A97        2.34148  -0.00001   0.00013   0.00012   0.00025   2.34174
   A98        2.28523  -0.00001   0.00042   0.00012   0.00054   2.28576
   A99        1.63758   0.00000   0.00017   0.00005   0.00022   1.63781
   A100       1.52711   0.00000   0.00012   0.00006   0.00018   1.52729
   A101       0.88242   0.00001  -0.00028  -0.00013  -0.00040   0.88202
   A102       1.05798   0.00000  -0.00034  -0.00016  -0.00050   1.05748
   A103       0.93503   0.00000  -0.00035  -0.00013  -0.00047   0.93456
   A104       1.10381  -0.00002  -0.00039  -0.00032  -0.00071   1.10310
   A105       1.48332   0.00001  -0.00031  -0.00008  -0.00039   1.48294
   A106       2.27551   0.00003   0.00227   0.00191   0.00418   2.27969
   A107       2.20287   0.00003   0.00123   0.00093   0.00215   2.20503
   A108       1.80079   0.00002   0.00056   0.00025   0.00081   1.80159
   A109       1.61359   0.00003   0.00061   0.00070   0.00132   1.61491
   A110       2.41354   0.00005  -0.00081  -0.00009  -0.00090   2.41264
   A111       2.24816   0.00009   0.00178   0.00217   0.00395   2.25211
   A112       0.71307   0.00000  -0.00005   0.00008   0.00003   0.71310
   A113       1.00535   0.00000  -0.00005   0.00011   0.00006   1.00541
   A114       0.69377   0.00000  -0.00002  -0.00002  -0.00005   0.69373
   A115       0.98024   0.00001  -0.00005  -0.00002  -0.00007   0.98017
   A116       1.79370  -0.00001   0.00018  -0.00004   0.00014   1.79385
   A117       1.41551   0.00000   0.00011  -0.00002   0.00008   1.41559
   A118       1.17923   0.00000   0.00013  -0.00005   0.00008   1.17931
   A119       0.90304   0.00001   0.00016   0.00007   0.00024   0.90327
   A120       1.24558   0.00000   0.00009   0.00005   0.00014   1.24572
   A121       2.09363  -0.00002  -0.00213  -0.00167  -0.00380   2.08983
   A122       2.07427  -0.00002  -0.00100  -0.00066  -0.00166   2.07261
   A123       2.35255  -0.00001   0.00059   0.00061   0.00121   2.35377
   A124       2.28467  -0.00002   0.00045  -0.00031   0.00013   2.28480
   A125       1.68211  -0.00006  -0.00019  -0.00035  -0.00056   1.68155
   A126       1.55232  -0.00006  -0.00237  -0.00238  -0.00476   1.54756
   A127       0.65782   0.00000  -0.00002   0.00007   0.00005   0.65787
   A128       0.66193   0.00000   0.00002   0.00001   0.00003   0.66196
   A129       2.14598   0.00000   0.00021   0.00002   0.00023   2.14621
   A130       1.77878   0.00000   0.00013   0.00003   0.00016   1.77894
   A131       1.47745   0.00001   0.00018   0.00006   0.00024   1.47769
   A132       1.18353   0.00002   0.00020   0.00015   0.00035   1.18388
   A133       1.63831   0.00000   0.00008   0.00005   0.00013   1.63844
   A134       1.95463  -0.00002  -0.00216  -0.00168  -0.00385   1.95079
   A135       2.10531  -0.00002  -0.00129  -0.00087  -0.00215   2.10316
   A136       2.49467  -0.00001  -0.00036   0.00000  -0.00035   2.49432
   A137       2.57240  -0.00003  -0.00009  -0.00058  -0.00067   2.57173
   A138       1.80539  -0.00006   0.00012  -0.00025  -0.00014   1.80525
   A139       1.77795  -0.00008  -0.00268  -0.00277  -0.00545   1.77250
   A140       0.70455  -0.00001  -0.00006   0.00006   0.00000   0.70455
   A141       0.84020   0.00000   0.00008   0.00013   0.00021   0.84042
   A142       2.49567  -0.00001   0.00010  -0.00001   0.00009   2.49577
   A143       2.11648   0.00000   0.00004   0.00000   0.00004   2.11652
   A144       1.88240   0.00001   0.00011   0.00008   0.00018   1.88259
   A145       1.59375   0.00002   0.00014   0.00020   0.00034   1.59409
   A146       1.85080  -0.00001  -0.00001  -0.00007  -0.00009   1.85071
   A147       1.52788  -0.00002  -0.00209  -0.00175  -0.00384   1.52403
   A148       1.72374  -0.00002  -0.00128  -0.00099  -0.00226   1.72148
   A149       2.13330  -0.00001  -0.00080  -0.00045  -0.00124   2.13206
   A150       2.32390  -0.00002  -0.00069  -0.00085  -0.00155   2.32235
   A151       1.51109  -0.00006   0.00043  -0.00021   0.00021   1.51129
   A152       1.58958  -0.00010  -0.00263  -0.00291  -0.00554   1.58405
   A153       0.76729  -0.00001   0.00003  -0.00002   0.00001   0.76730
   A154       0.77829  -0.00001   0.00023   0.00003   0.00026   0.77855
   A155       2.79872  -0.00001   0.00014   0.00008   0.00022   2.79894
   A156       2.42066   0.00000   0.00005   0.00009   0.00014   2.42079
   A157       2.13169   0.00001   0.00018   0.00015   0.00033   2.13202
   A158       1.83714   0.00002   0.00019   0.00023   0.00042   1.83756
   A159       2.16421   0.00000  -0.00008   0.00002  -0.00006   2.16415
   A160       1.37987  -0.00001  -0.00195  -0.00150  -0.00344   1.37643
   A161       1.66864  -0.00002  -0.00133  -0.00085  -0.00217   1.66647
   A162       2.06464  -0.00001  -0.00135  -0.00070  -0.00204   2.06260
   A163       2.32635  -0.00001  -0.00115  -0.00073  -0.00188   2.32447
   A164       1.57833  -0.00004   0.00053   0.00007   0.00059   1.57893
   A165       1.73848  -0.00009  -0.00249  -0.00254  -0.00502   1.73346
   A166       2.11415   0.00001   0.00027   0.00012   0.00040   2.11454
   A167       1.82403   0.00001   0.00019   0.00014   0.00032   1.82436
   A168       1.43419   0.00002   0.00024   0.00021   0.00044   1.43463
   A169       1.15804   0.00003   0.00020   0.00022   0.00043   1.15847
   A170       1.84725   0.00001   0.00014   0.00017   0.00031   1.84756
   A171       2.14323  -0.00002  -0.00184  -0.00142  -0.00326   2.13997
   A172       2.41979  -0.00003  -0.00133  -0.00092  -0.00225   2.41753
   A173       2.82816  -0.00002  -0.00117  -0.00061  -0.00176   2.82640
   A174       2.19446  -0.00007   0.00023  -0.00023  -0.00002   2.19444
   A175       2.18427  -0.00009  -0.00268  -0.00279  -0.00547   2.17880
   A176       2.20199   0.00001   0.00009   0.00007   0.00016   2.20215
   A177       1.99304   0.00002   0.00003   0.00010   0.00013   1.99317
   A178       1.58045   0.00003   0.00007   0.00018   0.00025   1.58070
   A179       1.33686   0.00003   0.00002   0.00015   0.00017   1.33703
   A180       2.10067   0.00002   0.00003   0.00016   0.00020   2.10087
   A181       2.05576  -0.00001  -0.00118  -0.00094  -0.00212   2.05364
   A182       2.41691  -0.00003  -0.00097  -0.00070  -0.00166   2.41525
   A183       2.73397  -0.00002  -0.00151  -0.00102  -0.00253   2.73144
   A184       2.34189  -0.00006   0.00064   0.00000   0.00062   2.34251
   A185       2.41586  -0.00009  -0.00264  -0.00282  -0.00546   2.41039
   A186       0.69029  -0.00001   0.00004  -0.00007  -0.00003   0.69025
   A187       0.98141  -0.00002   0.00004  -0.00012  -0.00008   0.98133
   A188       0.69723   0.00000   0.00006   0.00005   0.00011   0.69734
   A189       2.01384   0.00000   0.00133   0.00109   0.00242   2.01625
   A190       1.66382   0.00002   0.00086   0.00060   0.00146   1.66528
   A191       1.31202   0.00001   0.00126   0.00078   0.00205   1.31406
   A192       1.02269   0.00000   0.00096   0.00050   0.00146   1.02415
   A193       1.62234   0.00002  -0.00102  -0.00035  -0.00136   1.62098
   A194       1.38546   0.00008   0.00162   0.00188   0.00348   1.38894
   A195       0.66693  -0.00002  -0.00001  -0.00007  -0.00008   0.66685
   A196       2.21465  -0.00001   0.00072   0.00047   0.00119   2.21584
   A197       1.82104   0.00001   0.00061   0.00033   0.00094   1.82198
   A198       1.55444   0.00000   0.00147   0.00089   0.00236   1.55680
   A199       1.26414  -0.00001   0.00104   0.00030   0.00134   1.26548
   A200       1.63130  -0.00001  -0.00107  -0.00055  -0.00162   1.62968
   A201       1.34183   0.00005   0.00074   0.00093   0.00166   1.34348
   A202       0.71053   0.00000   0.00001   0.00001   0.00002   0.71054
   A203       2.62581  -0.00002   0.00050   0.00023   0.00074   2.62655
   A204       2.22925   0.00000   0.00049   0.00017   0.00066   2.22991
   A205       1.96439  -0.00001   0.00141   0.00080   0.00220   1.96660
   A206       1.67186  -0.00002   0.00101   0.00027   0.00128   1.67314
   A207       1.98193  -0.00003  -0.00107  -0.00071  -0.00179   1.98014
   A208       1.68055   0.00003   0.00008   0.00017   0.00024   1.68079
   A209       0.83199  -0.00001   0.00006   0.00011   0.00016   0.83215
   A210       2.75215  -0.00003  -0.00070  -0.00069  -0.00136   2.75080
   A211       2.38786  -0.00001   0.00019   0.00001   0.00020   2.38806
   A212       2.21221  -0.00002   0.00149   0.00088   0.00237   2.21458
   A213       1.92716  -0.00002   0.00103   0.00020   0.00122   1.92838
   A214       2.04405  -0.00004  -0.00087  -0.00060  -0.00147   2.04258
   A215       1.75147   0.00001  -0.00059  -0.00049  -0.00109   1.75038
   A216       1.94600  -0.00002  -0.00009  -0.00030  -0.00038   1.94562
   A217       1.55899   0.00000   0.00022  -0.00005   0.00017   1.55916
   A218       1.42556  -0.00001   0.00143   0.00086   0.00229   1.42785
   A219       1.17802  -0.00002   0.00087  -0.00006   0.00080   1.17882
   A220       1.27141  -0.00003  -0.00108  -0.00072  -0.00180   1.26960
   A221       0.97011   0.00003   0.00012   0.00019   0.00030   0.97042
   A222       0.70203   0.00000   0.00014   0.00035   0.00049   0.70253
   A223       0.99170   0.00000   0.00032   0.00055   0.00087   0.99257
   A224       0.70811   0.00001   0.00025  -0.00009   0.00015   0.70826
   A225       1.00212  -0.00004   0.00000  -0.00016  -0.00013   1.00199
   A226       0.65923   0.00001   0.00013   0.00012   0.00023   0.65946
   A227       0.66476   0.00001   0.00099   0.00089   0.00190   0.66666
   A228       0.69827   0.00005   0.00002   0.00053   0.00056   0.69883
   A229       0.80143   0.00005   0.00301   0.00298   0.00600   0.80742
   A230       0.81410   0.00003  -0.00100  -0.00061  -0.00160   0.81249
   A231       0.79541   0.00006   0.00253   0.00219   0.00470   0.80011
   A232       1.69859   0.00000  -0.00122  -0.00087  -0.00209   1.69649
   A233       1.80992  -0.00021  -0.00031  -0.00085  -0.00116   1.80876
   A234       2.19176  -0.00003  -0.00001   0.00005   0.00005   2.19181
   A235       2.12809   0.00007   0.00012   0.00007   0.00018   2.12827
   A236       1.96320  -0.00004  -0.00012  -0.00012  -0.00025   1.96295
   A237       2.12388  -0.00001  -0.00014  -0.00007  -0.00019   2.12370
   A238       2.12146   0.00001   0.00003   0.00004   0.00008   2.12154
   A239       2.03777   0.00000   0.00008   0.00001   0.00008   2.03785
   A240       1.72955  -0.00001   0.00159   0.00115   0.00275   1.73230
   A241       2.63431   0.00002  -0.00134  -0.00093  -0.00227   2.63204
   A242       1.91204  -0.00001  -0.00005  -0.00006  -0.00011   1.91193
   A243       1.91226   0.00003   0.00027   0.00032   0.00058   1.91284
   A244       1.92568   0.00000  -0.00023  -0.00027  -0.00051   1.92517
   A245       1.90760   0.00000   0.00002   0.00006   0.00007   1.90767
   A246       1.91168  -0.00001  -0.00010  -0.00012  -0.00021   1.91147
   A247       1.89440  -0.00001   0.00010   0.00008   0.00018   1.89458
   A248       1.36545   0.00000  -0.00077  -0.00039  -0.00116   1.36429
   A249       1.90697  -0.00002   0.00000   0.00007   0.00006   1.90704
   A250       1.90819  -0.00001  -0.00007  -0.00010  -0.00017   1.90802
   A251       1.92976   0.00002   0.00000   0.00007   0.00007   1.92983
   A252       1.91084  -0.00001  -0.00013  -0.00010  -0.00022   1.91062
   A253       1.89572   0.00001   0.00008   0.00000   0.00008   1.89580
   A254       1.91222   0.00001   0.00011   0.00006   0.00018   1.91240
   A255       1.71645   0.00000   0.00006   0.00005   0.00010   1.71655
   A256       1.78144  -0.00001  -0.00013  -0.00001  -0.00014   1.78130
   A257       2.19036  -0.00001   0.00008  -0.00002   0.00006   2.19042
   A258       2.12996   0.00000  -0.00008   0.00003  -0.00005   2.12991
   A259       1.96267   0.00001   0.00000  -0.00001  -0.00001   1.96265
   A260       2.12315   0.00000   0.00005  -0.00005   0.00000   2.12315
   A261       2.12442   0.00001  -0.00002  -0.00003  -0.00006   2.12436
   A262       2.03558  -0.00001  -0.00003   0.00008   0.00005   2.03563
   A263       1.35499  -0.00006   0.00047  -0.00092  -0.00045   1.35454
   A264       1.90093  -0.00001   0.00009   0.00013   0.00022   1.90115
   A265       1.93074   0.00002  -0.00007   0.00010   0.00003   1.93077
   A266       1.91003  -0.00002   0.00007  -0.00019  -0.00012   1.90991
   A267       1.89792  -0.00001  -0.00005  -0.00003  -0.00008   1.89783
   A268       1.91345  -0.00001  -0.00003  -0.00003  -0.00005   1.91340
   A269       1.91066   0.00003  -0.00001   0.00001   0.00001   1.91067
   A270       2.63559   0.00001  -0.00052  -0.00034  -0.00086   2.63474
   A271       1.72871  -0.00001   0.00051   0.00035   0.00086   1.72957
   A272       1.92308   0.00001   0.00008   0.00005   0.00014   1.92322
   A273       1.91588   0.00001   0.00006   0.00000   0.00006   1.91594
   A274       1.91435  -0.00001  -0.00007   0.00000  -0.00006   1.91429
   A275       1.89471  -0.00001  -0.00005  -0.00004  -0.00009   1.89462
   A276       1.91036   0.00000  -0.00003  -0.00001  -0.00005   1.91031
   A277       1.90524   0.00000   0.00001   0.00000   0.00001   1.90525
   A278       1.82563  -0.00009  -0.00038  -0.00050  -0.00088   1.82475
   A279       1.74250   0.00006   0.00005   0.00055   0.00060   1.74310
   A280       2.18986  -0.00004   0.00001   0.00001   0.00002   2.18988
   A281       2.13065   0.00001   0.00002  -0.00001   0.00000   2.13065
   A282       1.96259   0.00003  -0.00003   0.00001  -0.00003   1.96256
   A283       2.12144  -0.00001   0.00006   0.00000   0.00007   2.12151
   A284       2.11562   0.00000  -0.00008  -0.00005  -0.00013   2.11549
   A285       2.04184   0.00001   0.00006   0.00006   0.00011   2.04194
   A286       2.70976  -0.00004   0.00001  -0.00044  -0.00043   2.70933
   A287       1.64963   0.00004   0.00015   0.00051   0.00066   1.65029
   A288       1.92714   0.00000  -0.00013  -0.00002  -0.00015   1.92699
   A289       1.91463  -0.00002   0.00006   0.00001   0.00008   1.91471
   A290       1.91187   0.00001  -0.00009  -0.00005  -0.00013   1.91174
   A291       1.89118   0.00000   0.00020   0.00012   0.00033   1.89151
   A292       1.91202   0.00000  -0.00006   0.00000  -0.00006   1.91196
   A293       1.90677   0.00001   0.00001  -0.00006  -0.00005   1.90672
   A294       1.36525  -0.00005  -0.00076  -0.00091  -0.00168   1.36357
   A295       1.14505   0.00002   0.00048   0.00031   0.00079   1.14584
   A296       1.93306  -0.00001   0.00001   0.00002   0.00003   1.93309
   A297       1.90703  -0.00001  -0.00012  -0.00001  -0.00013   1.90689
   A298       1.90177   0.00002  -0.00003  -0.00003  -0.00006   1.90171
   A299       1.90947   0.00003  -0.00003   0.00000  -0.00003   1.90943
   A300       1.89814  -0.00001   0.00008   0.00003   0.00011   1.89825
   A301       1.91429  -0.00001   0.00009   0.00000   0.00010   1.91439
   A302       1.82535  -0.00047  -0.00429  -0.00457  -0.00887   1.81648
   A303       1.63054   0.00042   0.00395   0.00630   0.01026   1.64080
   A304       2.19630  -0.00014   0.00010  -0.00026  -0.00020   2.19611
   A305       2.12977  -0.00003  -0.00012  -0.00008  -0.00013   2.12964
   A306       1.95673   0.00017   0.00001   0.00040   0.00038   1.95711
   A307       2.13294   0.00003  -0.00081  -0.00016  -0.00097   2.13197
   A308       2.12352  -0.00005   0.00176  -0.00045   0.00119   2.12471
   A309       2.02672   0.00002  -0.00089   0.00063  -0.00024   2.02649
   A310       1.64267  -0.00012  -0.00563  -0.00519  -0.01087   1.63181
   A311       2.71794   0.00014   0.00624   0.00508   0.01134   2.72928
   A312       1.90923  -0.00005   0.00004   0.00058   0.00065   1.90988
   A313       1.91813  -0.00001   0.00038  -0.00041  -0.00013   1.91800
   A314       1.90971   0.00009   0.00065   0.00052   0.00116   1.91087
   A315       1.91591  -0.00002  -0.00084  -0.00014  -0.00096   1.91494
   A316       1.91969  -0.00002  -0.00114  -0.00009  -0.00124   1.91845
   A317       1.89110   0.00001   0.00093  -0.00047   0.00053   1.89162
   A318       1.55990  -0.00006   0.01750   0.00982   0.02735   1.58724
   A319       1.91589   0.00000   0.00018   0.00102   0.00099   1.91688
   A320       1.91296   0.00003   0.00012   0.00333   0.00371   1.91667
   A321       1.92506  -0.00008  -0.00110  -0.00232  -0.00348   1.92158
   A322       1.90914  -0.00013   0.00249  -0.00166   0.00089   1.91003
   A323       1.91038   0.00009  -0.00100  -0.00071  -0.00167   1.90871
   A324       1.89017   0.00007  -0.00070   0.00032  -0.00045   1.88972
   A325       2.91376   0.00002  -0.00025   0.00000  -0.00026   2.91350
   A326       3.30715   0.00003  -0.00035   0.00038   0.00004   3.30719
   A327       3.02425   0.00002  -0.00033   0.00037   0.00005   3.02431
   A328       3.27768   0.00000  -0.00065  -0.00033  -0.00098   3.27670
   A329       3.26565  -0.00003   0.00046  -0.00091  -0.00044   3.26521
   A330       3.27471  -0.00003  -0.00079  -0.00092  -0.00171   3.27300
   A331       3.47027   0.00003   0.01649   0.00911   0.02568   3.49595
   A332       3.21294  -0.00001   0.00052   0.00033   0.00084   3.21378
   A333       3.11621  -0.00002  -0.00119  -0.00070  -0.00188   3.11433
   A334       3.06732  -0.00002  -0.00105  -0.00063  -0.00168   3.06564
   A335       3.22805   0.00000  -0.00005   0.00009   0.00005   3.22809
   A336       3.07348  -0.00001  -0.00006  -0.00015  -0.00021   3.07327
   A337       3.10150   0.00000   0.00023  -0.00011   0.00012   3.10162
   A338       3.04022   0.00006  -0.00573  -0.00105  -0.00687   3.03335
    D1        2.74421  -0.00003   0.00018   0.00005   0.00022   2.74443
    D2       -1.34923  -0.00003  -0.00028  -0.00049  -0.00078  -1.35000
    D3        2.72044  -0.00002   0.00097   0.00065   0.00161   2.72205
    D4       -1.37300  -0.00002   0.00051   0.00010   0.00061  -1.37239
    D5        1.61746  -0.00001   0.00055   0.00049   0.00103   1.61849
    D6       -2.47598  -0.00001   0.00009  -0.00006   0.00003  -2.47595
    D7        1.77431  -0.00001   0.00068   0.00047   0.00115   1.77545
    D8       -2.31913  -0.00001   0.00022  -0.00007   0.00015  -2.31898
    D9        0.23566  -0.00002   0.00039   0.00049   0.00088   0.23654
   D10        2.42541  -0.00002  -0.00006  -0.00006  -0.00012   2.42529
   D11       -0.03133  -0.00002   0.00036   0.00041   0.00077  -0.03056
   D12        2.15841  -0.00002  -0.00010  -0.00013  -0.00023   2.15818
   D13       -0.49250  -0.00001   0.00045   0.00032   0.00077  -0.49173
   D14        1.69725  -0.00001  -0.00001  -0.00022  -0.00023   1.69702
   D15       -0.61611  -0.00001   0.00024   0.00035   0.00059  -0.61552
   D16        1.57364  -0.00001  -0.00021  -0.00020  -0.00041   1.57323
   D17        0.15204  -0.00002   0.00025   0.00032   0.00057   0.15261
   D18        2.34179  -0.00002  -0.00020  -0.00022  -0.00042   2.34136
   D19        0.10316  -0.00002   0.00039   0.00039   0.00078   0.10393
   D20        2.29290  -0.00002  -0.00007  -0.00016  -0.00022   2.29268
   D21        2.28512  -0.00001   0.00046   0.00044   0.00089   2.28602
   D22       -1.80831  -0.00001   0.00000  -0.00011  -0.00010  -1.80842
   D23        2.03082  -0.00001   0.00027   0.00043   0.00070   2.03152
   D24       -2.06262  -0.00001  -0.00018  -0.00011  -0.00030  -2.06292
   D25        1.59328   0.00000   0.00037   0.00049   0.00086   1.59414
   D26       -2.50016   0.00000  -0.00008  -0.00005  -0.00013  -2.50029
   D27        1.28591   0.00001   0.00036   0.00052   0.00087   1.28678
   D28       -2.80753   0.00001  -0.00010  -0.00003  -0.00012  -2.80765
   D29        2.21769   0.00000   0.00007   0.00055   0.00061   2.21830
   D30       -1.87575   0.00000  -0.00039   0.00000  -0.00039  -1.87614
   D31       -1.98973   0.00000   0.00206   0.00174   0.00380  -1.98593
   D32        0.20002   0.00000   0.00160   0.00119   0.00280   0.20282
   D33       -2.29949   0.00002   0.00153   0.00119   0.00272  -2.29677
   D34       -0.10974   0.00002   0.00108   0.00065   0.00172  -0.10802
   D35       -2.68479   0.00000   0.00165   0.00113   0.00277  -2.68202
   D36       -0.49505   0.00000   0.00120   0.00058   0.00177  -0.49327
   D37       -2.96417   0.00000   0.00144   0.00102   0.00246  -2.96171
   D38       -0.77442   0.00000   0.00099   0.00047   0.00146  -0.77296
   D39       -2.24431   0.00005  -0.00049   0.00028  -0.00019  -2.24450
   D40       -0.05456   0.00005  -0.00094  -0.00026  -0.00118  -0.05575
   D41       -2.51336   0.00014   0.00309   0.00347   0.00656  -2.50680
   D42       -0.32362   0.00014   0.00264   0.00293   0.00556  -0.31805
   D43        1.33975  -0.00002  -0.00124  -0.00102  -0.00226   1.33749
   D44       -1.97524  -0.00002   0.00079   0.00029   0.00108  -1.97416
   D45        2.48866  -0.00002  -0.00069  -0.00055  -0.00123   2.48743
   D46       -0.82633  -0.00001   0.00134   0.00076   0.00211  -0.82423
   D47        2.95096  -0.00001  -0.00052  -0.00048  -0.00101   2.94995
   D48       -0.36404  -0.00001   0.00150   0.00083   0.00233  -0.36170
   D49        2.83558   0.00002  -0.00187  -0.00083  -0.00270   2.83288
   D50       -0.47942   0.00002   0.00016   0.00048   0.00064  -0.47878
   D51        2.02164   0.00001  -0.00125  -0.00047  -0.00173   2.01991
   D52       -1.29336   0.00001   0.00078   0.00084   0.00162  -1.29174
   D53        1.15996   0.00000  -0.00068  -0.00053  -0.00121   1.15875
   D54       -2.15504   0.00000   0.00135   0.00078   0.00213  -2.15290
   D55        1.04126   0.00000  -0.00113  -0.00061  -0.00174   1.03953
   D56       -2.27373   0.00001   0.00090   0.00070   0.00161  -2.27213
   D57        2.03335  -0.00001  -0.00134  -0.00075  -0.00209   2.03126
   D58       -1.28165   0.00000   0.00069   0.00056   0.00125  -1.28040
   D59        1.86361  -0.00001  -0.00115  -0.00072  -0.00188   1.86174
   D60       -1.45138  -0.00001   0.00088   0.00059   0.00147  -1.44992
   D61       -2.30664   0.00000  -0.00092  -0.00060  -0.00152  -2.30816
   D62        0.66154   0.00000   0.00111   0.00071   0.00182   0.66337
   D63       -2.42796   0.00000  -0.00116  -0.00067  -0.00183  -2.42979
   D64        0.54023   0.00000   0.00087   0.00064   0.00151   0.54174
   D65       -2.82854   0.00001  -0.00118  -0.00060  -0.00178  -2.83032
   D66        0.13965   0.00002   0.00085   0.00071   0.00156   0.14121
   D67       -3.00138   0.00002  -0.00133  -0.00073  -0.00206  -3.00344
   D68       -0.03319   0.00002   0.00070   0.00058   0.00128  -0.03191
   D69       -2.14175   0.00001  -0.00128  -0.00065  -0.00193  -2.14368
   D70        0.82644   0.00001   0.00075   0.00066   0.00142   0.82785
   D71       -0.20150  -0.00001  -0.00080  -0.00050  -0.00130  -0.20280
   D72        2.76669  -0.00001   0.00123   0.00081   0.00204   2.76873
   D73       -0.59942   0.00001  -0.00070  -0.00044  -0.00114  -0.60057
   D74        2.36876   0.00001   0.00133   0.00087   0.00220   2.37096
   D75       -0.83866   0.00001   0.00042   0.00035   0.00077  -0.83789
   D76        2.12953   0.00001   0.00245   0.00166   0.00411   2.13364
   D77       -1.15767   0.00000   0.00004  -0.00023  -0.00020  -1.15787
   D78        1.81052   0.00000   0.00207   0.00108   0.00314   1.81366
   D79       -0.81898  -0.00001  -0.00232  -0.00132  -0.00363  -0.82262
   D80        2.14921  -0.00001  -0.00029  -0.00001  -0.00029   2.14891
   D81       -1.13215   0.00004  -0.00095  -0.00028  -0.00123  -1.13339
   D82        1.83603   0.00005   0.00108   0.00103   0.00211   1.83814
   D83       -1.50191   0.00001  -0.00016   0.00008  -0.00008  -1.50199
   D84       -2.59720  -0.00001   0.00000   0.00007   0.00006  -2.59713
   D85       -2.96112  -0.00002   0.00044   0.00040   0.00084  -2.96028
   D86        0.70976   0.00000  -0.00046   0.00004  -0.00042   0.70934
   D87        0.29157   0.00000  -0.00044   0.00003  -0.00041   0.29116
   D88       -0.09064   0.00001  -0.00021   0.00011  -0.00010  -0.09074
   D89       -0.41840   0.00001  -0.00035  -0.00002  -0.00037  -0.41876
   D90        0.17711   0.00000  -0.00063  -0.00014  -0.00076   0.17635
   D91       -0.04808  -0.00001  -0.00057  -0.00015  -0.00071  -0.04879
   D92        2.35808   0.00000  -0.00020   0.00005  -0.00015   2.35793
   D93        2.01379   0.00001  -0.00039   0.00002  -0.00036   2.01343
   D94        1.61550   0.00002  -0.00034   0.00009  -0.00025   1.61525
   D95        1.33140   0.00002  -0.00043   0.00007  -0.00035   1.33105
   D96        2.02345   0.00000  -0.00051   0.00003  -0.00048   2.02296
   D97       -2.05825   0.00000   0.00078   0.00088   0.00167  -2.05658
   D98       -2.53080   0.00002   0.00005   0.00025   0.00030  -2.53050
   D99       -2.77492   0.00000   0.00101   0.00093   0.00193  -2.77299
   D100      -3.05445  -0.00001   0.00047   0.00009   0.00055  -3.05390
   D101      -2.88594  -0.00003  -0.00284  -0.00139  -0.00425  -2.89019
   D102       2.88273  -0.00001  -0.00281  -0.00191  -0.00472   2.87801
   D103      -2.86663   0.00003  -0.00029  -0.00021  -0.00051  -2.86714
   D104       1.22747   0.00003  -0.00018  -0.00026  -0.00045   1.22703
   D105       2.87519   0.00000  -0.00038  -0.00049  -0.00086   2.87432
   D106       0.68611   0.00000  -0.00027  -0.00054  -0.00081   0.68530
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   D108       0.19673  -0.00002   0.00054  -0.00018   0.00036   0.19709
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   D212       2.21634   0.00002   0.00025  -0.00010   0.00015   2.21648
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   D321       2.40778  -0.00001  -0.00004  -0.00013  -0.00017   2.40760
   D322      -0.51835  -0.00006   0.00044  -0.00011   0.00032  -0.51803
   D323       1.54434  -0.00005   0.00080   0.00032   0.00110   1.54544
   D324      -0.53820  -0.00009  -0.00298  -0.00325  -0.00623  -0.54443
   D325       1.52449  -0.00009  -0.00262  -0.00282  -0.00544   1.51905
   D326      -0.10219  -0.00002   0.00334   0.00312   0.00648  -0.09571
   D327       2.06846  -0.00002   0.00358   0.00414   0.00772   2.07618
   D328       0.23702  -0.00001   0.00327   0.00310   0.00637   0.24339
   D329       2.40766  -0.00001   0.00350   0.00412   0.00762   2.41528
   D330       0.59280   0.00000   0.00322   0.00311   0.00633   0.59914
   D331       2.76345   0.00000   0.00345   0.00413   0.00758   2.77103
   D332       0.87819   0.00001   0.00317   0.00305   0.00622   0.88441
   D333       3.04883   0.00001   0.00340   0.00407   0.00747   3.05630
   D334       0.25236  -0.00001   0.00285   0.00272   0.00558   0.25794
   D335       2.42301  -0.00001   0.00309   0.00375   0.00683   2.42983
   D336       0.60278   0.00000   0.00350   0.00314   0.00664   0.60941
   D337       2.77342   0.00000   0.00373   0.00416   0.00788   2.78130
   D338      -2.49569  -0.00001   0.00373   0.00327   0.00700  -2.48869
   D339      -0.32505  -0.00001   0.00396   0.00429   0.00825  -0.31680
   D340      -2.08597  -0.00001   0.00327   0.00293   0.00620  -2.07976
   D341       0.08468  -0.00001   0.00351   0.00395   0.00745   0.09213
   D342      -2.04132  -0.00001   0.00346   0.00307   0.00652  -2.03480
   D343       0.12932  -0.00001   0.00369   0.00409   0.00777   0.13709
   D344      -1.75982   0.00000   0.00355   0.00337   0.00692  -1.75290
   D345       0.41083   0.00000   0.00379   0.00439   0.00817   0.41900
   D346      -1.67852  -0.00002   0.00265   0.00240   0.00505  -1.67347
   D347       0.49213  -0.00002   0.00289   0.00342   0.00630   0.49842
   D348      -1.36138  -0.00001   0.00255   0.00236   0.00491  -1.35647
   D349       0.80927  -0.00002   0.00279   0.00338   0.00615   0.81542
   D350       1.62726   0.00001   0.00417   0.00381   0.00798   1.63525
   D351      -2.48528   0.00001   0.00441   0.00484   0.00923  -2.47605
   D352       2.00577   0.00002   0.00494   0.00443   0.00937   2.01514
   D353      -2.10677   0.00002   0.00518   0.00545   0.01062  -2.09615
   D354       2.09297   0.00004   0.00701   0.00628   0.01327   2.10623
   D355      -2.01957   0.00004   0.00725   0.00730   0.01451  -2.00506
   D356       2.71522  -0.00002   0.00805   0.00671   0.01477   2.72999
   D357      -1.39732  -0.00002   0.00828   0.00773   0.01602  -1.38130
   D358       2.38687   0.00001   0.00431   0.00386   0.00817   2.39504
   D359      -1.72567   0.00001   0.00454   0.00488   0.00942  -1.71625
   D360       1.60069  -0.00002   0.00060   0.00063   0.00123   1.60192
   D361      -2.51185  -0.00002   0.00083   0.00165   0.00248  -2.50937
   D362       1.66270   0.00001   0.00222   0.00281   0.00505   1.66774
   D363      -2.44984   0.00001   0.00246   0.00383   0.00629  -2.44355
   D364       2.71276   0.00006   0.00035   0.00134   0.00172   2.71448
   D365      -1.39978   0.00006   0.00058   0.00236   0.00297  -1.39681
   D366       2.62129   0.00009   0.00524   0.00539   0.01063   2.63192
   D367      -1.49125   0.00009   0.00548   0.00641   0.01188  -1.47938
   D368       0.04200  -0.00003   0.00068  -0.00045   0.00023   0.04223
   D369      -2.92450  -0.00002   0.00504   0.00380   0.00885  -2.91565
   D370       0.42958   0.00000   0.00097  -0.00013   0.00084   0.43042
   D371      -2.53692   0.00001   0.00533   0.00412   0.00945  -2.52746
   D372       0.59455   0.00001   0.00136   0.00019   0.00154   0.59609
   D373      -2.37195   0.00002   0.00572   0.00444   0.01016  -2.36179
   D374       0.88139   0.00001   0.00112   0.00005   0.00117   0.88256
   D375      -2.08510   0.00002   0.00549   0.00430   0.00979  -2.07532
   D376       0.71987  -0.00001   0.00061  -0.00043   0.00018   0.72005
   D377      -2.24663   0.00000   0.00498   0.00382   0.00880  -2.23783
   D378       1.04271   0.00000   0.00075  -0.00036   0.00038   1.04309
   D379      -1.92379   0.00001   0.00511   0.00389   0.00900  -1.91479
   D380      -2.86791   0.00000   0.00223   0.00041   0.00263  -2.86528
   D381       0.44878   0.00001   0.00659   0.00466   0.01124   0.46002
   D382      -2.30474   0.00000   0.00283   0.00097   0.00380  -2.30094
   D383       1.01195   0.00001   0.00720   0.00523   0.01242   1.02436
   D384      -1.98387  -0.00001   0.00154   0.00017   0.00171  -1.98216
   D385       1.33282   0.00000   0.00591   0.00442   0.01033   1.34315
   D386      -1.62601  -0.00001   0.00112   0.00010   0.00122  -1.62479
   D387       1.69068   0.00000   0.00548   0.00435   0.00984   1.70052
   D388      -1.76475  -0.00002   0.00438   0.00241   0.00680  -1.75794
   D389       1.55194  -0.00001   0.00874   0.00666   0.01542   1.56736
   D390      -0.97155  -0.00003   0.00093   0.00019   0.00113  -0.97042
   D391       2.34514  -0.00002   0.00530   0.00444   0.00975   2.35489
   D392       1.78501   0.00000   0.00085  -0.00018   0.00067   1.78568
   D393      -1.18149   0.00001   0.00521   0.00407   0.00928  -1.17220
   D394       2.08088   0.00000   0.00071  -0.00032   0.00039   2.08127
   D395      -0.88562   0.00001   0.00508   0.00393   0.00901  -0.87661
   D396       2.01535   0.00000   0.00056  -0.00042   0.00015   2.01549
   D397      -0.95115   0.00002   0.00492   0.00383   0.00876  -0.94239
   D398       2.19955  -0.00001   0.00055  -0.00065  -0.00010   2.19945
   D399      -0.76695   0.00000   0.00492   0.00360   0.00852  -0.75843
   D400       2.48825   0.00000   0.00069  -0.00027   0.00042   2.48867
   D401      -0.47824   0.00001   0.00505   0.00398   0.00903  -0.46921
   D402      -1.38142  -0.00003  -0.00245  -0.00315  -0.00559  -1.38701
   D403       1.93527  -0.00002   0.00192   0.00110   0.00303   1.93830
   D404      -2.51772  -0.00002  -0.00275  -0.00233  -0.00505  -2.52277
   D405       0.79897  -0.00001   0.00162   0.00192   0.00357   0.80254
   D406      -2.93638   0.00009   0.00115   0.00095   0.00209  -2.93430
   D407       0.38031   0.00010   0.00552   0.00520   0.01070   0.39101
   D408       1.82022  -0.00004  -0.00346  -0.00130  -0.00476   1.81546
   D409       2.30045   0.00001  -0.00288  -0.00075  -0.00362   2.29683
   D410       2.51684   0.00002  -0.00355  -0.00102  -0.00456   2.51228
   D411       2.76752   0.00003  -0.00413  -0.00138  -0.00551   2.76201
   D412       2.71093   0.00004  -0.00168  -0.00004  -0.00169   2.70923
   D413      -3.10087   0.00007  -0.00246  -0.00028  -0.00272  -3.10359
   D414      -0.84417   0.00001  -0.00388  -0.00137  -0.00524  -0.84940
   D415      -0.46530   0.00001  -0.00399  -0.00142  -0.00540  -0.47070
   D416      -0.15082   0.00001  -0.00377  -0.00127  -0.00503  -0.15585
   D417       0.15821   0.00001  -0.00384  -0.00123  -0.00506   0.15315
   D418      -0.33392   0.00000  -0.00440  -0.00161  -0.00600  -0.33992
   D419      -0.01116  -0.00001  -0.00466  -0.00182  -0.00648  -0.01765
   D420      -2.64551   0.00002  -0.00391  -0.00126  -0.00516  -2.65067
   D421      -2.26526   0.00002  -0.00386  -0.00128  -0.00513  -2.27039
   D422      -2.03575   0.00003  -0.00399  -0.00120  -0.00518  -2.04093
   D423      -1.71683   0.00002  -0.00420  -0.00142  -0.00561  -1.72244
   D424      -2.03491   0.00000  -0.00378  -0.00138  -0.00516  -2.04007
   D425       1.42371   0.00005  -0.00751  -0.00371  -0.01119   1.41252
   D426       2.54493   0.00000  -0.00747  -0.00343  -0.01086   2.53407
   D427       2.93995   0.00000  -0.00603  -0.00198  -0.00799   2.93197
   D428      -3.10165   0.00003   0.00030   0.00047   0.00077  -3.10089
   D429       0.02714  -0.00004  -0.00045  -0.00141  -0.00186   0.02528
   D430       0.02228  -0.00015  -0.00031   0.00021  -0.00011   0.02217
   D431      -3.13211  -0.00022  -0.00106  -0.00167  -0.00274  -3.13485
   D432       0.03784  -0.00008  -0.00253  -0.00312  -0.00565   0.03219
   D433       2.13037  -0.00006  -0.00238  -0.00289  -0.00527   2.12510
   D434      -2.06810  -0.00005  -0.00223  -0.00277  -0.00500  -2.07309
   D435      -3.09154  -0.00001  -0.00182  -0.00133  -0.00314  -3.09468
   D436      -0.99900   0.00001  -0.00166  -0.00110  -0.00276  -1.00176
   D437       1.08572   0.00001  -0.00152  -0.00097  -0.00249   1.08322
   D438      -2.40327   0.00006   0.00124   0.00211   0.00335  -2.39992
   D439      -0.31233   0.00004   0.00104   0.00198   0.00302  -0.30931
   D440       1.79438   0.00005   0.00114   0.00203   0.00317   1.79755
   D441       0.72612   0.00000   0.00052   0.00032   0.00085   0.72696
   D442       2.81706  -0.00003   0.00033   0.00019   0.00051   2.81757
   D443      -1.35942  -0.00001   0.00043   0.00024   0.00067  -1.35875
   D444      -0.01429   0.00002  -0.00005   0.00067   0.00062  -0.01367
   D445       3.11721   0.00002   0.00000   0.00023   0.00023   3.11744
   D446      -3.13481   0.00002  -0.00001   0.00064   0.00063  -3.13418
   D447      -0.00331   0.00001   0.00005   0.00020   0.00024  -0.00306
   D448       2.42783   0.00001  -0.00039   0.00038  -0.00001   2.42782
   D449      -1.77031   0.00001  -0.00044   0.00048   0.00004  -1.77027
   D450       0.33626   0.00004  -0.00045   0.00044  -0.00001   0.33625
   D451      -0.70416   0.00002  -0.00044   0.00080   0.00036  -0.70380
   D452       1.38088   0.00002  -0.00049   0.00090   0.00041   1.38129
   D453      -2.79573   0.00005  -0.00050   0.00086   0.00036  -2.79537
   D454       2.07627   0.00000   0.00071   0.00028   0.00099   2.07726
   D455      -2.12116   0.00001   0.00074   0.00025   0.00099  -2.12017
   D456      -0.02786   0.00000   0.00074   0.00026   0.00100  -0.02686
   D457      -1.07493  -0.00001   0.00076  -0.00014   0.00062  -1.07431
   D458       1.01082   0.00000   0.00079  -0.00016   0.00062   1.01145
   D459       3.10412   0.00000   0.00079  -0.00016   0.00063   3.10475
   D460      -3.06597  -0.00006  -0.00022  -0.00014  -0.00035  -3.06633
   D461      -0.02675  -0.00005   0.00019  -0.00001   0.00018  -0.02657
   D462       0.08986  -0.00003  -0.00014  -0.00011  -0.00025   0.08961
   D463       3.12908  -0.00003   0.00027   0.00002   0.00028   3.12937
   D464       1.90982   0.00003   0.00021   0.00013   0.00034   1.91016
   D465      -2.29023   0.00002   0.00042   0.00028   0.00070  -2.28953
   D466      -0.19735   0.00002   0.00042   0.00018   0.00060  -0.19676
   D467      -1.13354   0.00002  -0.00017   0.00002  -0.00015  -1.13369
   D468       0.94960   0.00001   0.00004   0.00016   0.00020   0.94980
   D469       3.04247   0.00002   0.00004   0.00006   0.00010   3.04257
   D470      -1.63425   0.00001   0.00030   0.00051   0.00081  -1.63344
   D471       0.47037   0.00003   0.00019   0.00051   0.00070   0.47107
   D472       2.56168   0.00001   0.00022   0.00048   0.00070   2.56238
   D473       1.40946   0.00001   0.00069   0.00062   0.00132   1.41078
   D474      -2.76911   0.00003   0.00058   0.00062   0.00121  -2.76790
   D475      -0.67780   0.00002   0.00061   0.00060   0.00120  -0.67659
   D476      -0.02306   0.00043   0.00100   0.00044   0.00143  -0.02162
   D477       3.11425   0.00060   0.00653   0.00561   0.01211   3.12636
   D478       3.08931   0.00033   0.00080   0.00296   0.00378   3.09309
   D479      -0.05657   0.00050   0.00633   0.00812   0.01445  -0.04212
   D480      -0.07866  -0.00002  -0.00289  -0.00200  -0.00490  -0.08356
   D481       2.02597  -0.00008  -0.00367  -0.00205  -0.00576   2.02021
   D482      -2.18273  -0.00002  -0.00192  -0.00256  -0.00449  -2.18723
   D483       3.06699  -0.00018  -0.00819  -0.00689  -0.01502   3.05198
   D484      -1.11156  -0.00024  -0.00897  -0.00695  -0.01587  -1.12744
   D485       0.96293  -0.00018  -0.00722  -0.00745  -0.01461   0.94832
   D486       0.12706   0.00003  -0.02224  -0.01214  -0.03442   0.09264
   D487       2.22429  -0.00011  -0.01895  -0.01147  -0.03037   2.19392
   D488      -1.97934  -0.00004  -0.02043  -0.01043  -0.03076  -2.01010
   D489      -3.01857   0.00019  -0.01704  -0.00727  -0.02435  -3.04292
   D490      -0.92134   0.00005  -0.01375  -0.00661  -0.02031  -0.94165
   D491       1.15822   0.00012  -0.01523  -0.00557  -0.02070   1.13752
         Item               Value     Threshold  Converged?
 Maximum Force            0.000597     0.000450     NO 
 RMS     Force            0.000055     0.000300     YES
 Maximum Displacement     0.064578     0.001800     NO 
 RMS     Displacement     0.004447     0.001200     NO 
 Predicted change in Energy=-1.614137D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:35:50 2016, MaxMem=  2952790016 cpu:         4.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.884275   -0.648310    1.712748
      2          6           0       -2.181743    0.974637   -1.433046
      3          8           0       -2.608041   -0.001934   -2.072481
      4          7           0       -0.930642    1.093726   -0.909450
      5          1           0       -2.818449    1.855228   -1.213617
      6          6           0       -0.533617    2.264369   -0.125743
      7          1           0       -1.388181    2.947451   -0.026816
      8          1           0       -0.205217    1.944273    0.876379
      9          1           0        0.302030    2.788704   -0.617840
     10          6           0        0.077593    0.046597   -1.087591
     11          1           0        0.612036   -0.108136   -0.138163
     12          1           0       -0.417132   -0.887113   -1.385423
     13          1           0        0.808630    0.339853   -1.859457
     14          6           0       -1.965108   -4.081126    2.635107
     15          8           0       -2.141857   -3.935693    3.856692
     16          7           0       -2.873857   -3.789995    1.664948
     17          1           0       -1.008277   -4.454921    2.220155
     18          6           0       -4.205180   -3.271878    1.989331
     19          1           0       -4.466590   -2.481547    1.267853
     20          1           0       -4.960007   -4.073328    1.925784
     21          1           0       -4.197621   -2.855928    3.005403
     22          6           0       -2.566620   -3.966182    0.245407
     23          1           0       -3.257921   -4.696785   -0.205698
     24          1           0       -2.678673   -3.004729   -0.282667
     25          1           0       -1.533031   -4.321820    0.131806
     26          6           0        1.512216    0.354731    2.625090
     27          8           0        1.360196    1.366959    3.329509
     28          7           0        1.134069   -0.907830    2.964634
     29          1           0        1.973113    0.402053    1.618682
     30          6           0        1.438210   -2.054663    2.108231
     31          1           0        2.206818   -2.691847    2.577248
     32          1           0        0.529221   -2.659010    1.960107
     33          1           0        1.799818   -1.699606    1.133555
     34          6           0        0.516855   -1.192213    4.262411
     35          1           0        1.278798   -1.500408    4.998726
     36          1           0        0.003469   -0.292224    4.624013
     37          1           0       -0.209162   -2.009546    4.141412
     38          6           0       -4.446283    1.511700    2.794207
     39          8           0       -4.627283    2.272334    1.829555
     40          7           0       -3.388569    1.549072    3.651439
     41          1           0       -5.148323    0.686313    3.032282
     42          6           0       -2.298873    2.513610    3.501809
     43          1           0       -2.447365    3.091902    2.582000
     44          1           0       -2.277962    3.193810    4.369705
     45          1           0       -1.337436    1.977784    3.457149
     46          6           0       -3.274348    0.617958    4.773272
     47          1           0       -4.088032   -0.119460    4.730016
     48          1           0       -2.303945    0.096548    4.728926
     49          1           0       -3.328685    1.166750    5.728299
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.552248   0.000000
     3  O    3.907633   1.242698   0.000000
     4  N    3.289380   1.361466   2.316631   0.000000
     5  H    3.962826   1.108595   2.056931   2.058208   0.000000
     6  C    3.699732   2.467543   3.637190   1.463636   2.563459
     7  H    4.025132   2.549356   3.790999   2.103492   2.155717
     8  H    3.200036   3.190657   4.272828   2.106859   3.347386
     9  H    4.693041   3.181906   4.286275   2.116002   3.311151
    10  C    3.489086   2.466819   2.860943   1.464497   3.416736
    11  H    3.154239   3.264096   3.757893   2.102192   4.096294
    12  H    3.436306   2.565586   2.460828   2.100944   3.649147
    13  H    4.581359   3.086601   3.440325   2.120355   3.983613
    14  C    3.555489   6.492884   6.262153   6.357129   7.126090
    15  O    3.933158   7.217636   7.130700   7.034074   7.726615
    16  N    3.294198   5.725234   5.328080   5.852720   6.337014
    17  H    3.938924   6.648534   6.388667   6.370866   7.408474
    18  C    3.513717   5.817203   5.453595   6.179322   6.202347
    19  H    3.197974   4.945765   4.556371   5.479612   5.261338
    20  H    4.608282   6.669516   6.172043   7.139522   7.042008
    21  H    3.449073   6.199744   6.037959   6.449728   6.472807
    22  C    3.691471   5.232306   4.592340   5.441763   6.006744
    23  H    4.685882   5.901659   5.094002   6.280248   6.643637
    24  H    3.188332   4.172009   3.496455   4.499533   4.950291
    25  H    4.014652   5.560760   4.967489   5.547542   6.451231
    26  C    3.657131   5.522507   6.258666   4.359660   5.978446
    27  O    4.147507   5.948208   6.841218   4.826113   6.191888
    28  N    3.277952   5.820470   6.340076   4.824705   6.380804
    29  H    3.998944   5.186880   5.897022   3.911733   5.752626
    30  C    3.629483   5.900963   6.169619   4.962883   6.666413
    31  H    4.654078   6.984628   7.213770   6.027543   7.765298
    32  H    3.151042   5.662703   5.758840   4.944550   6.454282
    33  H    3.874691   5.439839   5.708764   4.408173   6.282870
    34  C    3.544297   6.664526   7.163282   5.836858   7.099158
    35  H    4.639909   7.711607   8.207004   6.820388   8.163390
    36  H    3.487956   6.562626   7.193559   5.780366   6.830278
    37  H    3.249212   6.623519   6.956838   5.971769   7.100788
    38  C    3.521232   4.825582   5.418013   5.123622   4.339413
    39  O    4.008478   4.278931   4.947273   4.749359   3.564653
    40  N    3.293920   5.257223   5.981479   5.201004   4.907906
    41  H    3.765156   5.368695   5.743285   5.787233   4.982202
    42  C    3.656551   5.170585   6.123418   4.831907   4.789433
    43  H    3.880960   4.546862   5.591228   4.299229   4.009211
    44  H    4.687888   6.213365   7.198854   5.839101   5.766925
    45  H    3.199740   5.062921   6.009204   4.473726   4.901477
    46  C    3.592011   6.311845   6.905980   6.165439   6.130377
    47  H    3.773610   6.543265   6.962625   6.576055   6.390462
    48  H    3.135007   6.225422   6.808915   5.888260   6.218641
    49  H    4.637392   7.255153   7.920689   7.058020   6.994608
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098484   0.000000
     8  H    1.102069   1.794862   0.000000
     9  H    1.102449   1.797589   1.789708   0.000000
    10  C    2.493439   3.418872   2.745603   2.791090   0.000000
    11  H    2.634664   3.653748   2.430963   2.952604   1.100448
    12  H    3.395909   4.182419   3.630069   3.823350   1.097848
    13  H    2.917388   3.870932   3.329692   2.791975   1.102810
    14  C    7.066594   7.537875   6.518877   7.931969   5.921926
    15  O    7.542346   7.938975   6.870723   8.438693   6.725365
    16  N    6.733395   7.103694   6.373798   7.653538   5.568390
    17  H    7.132839   7.745212   6.587891   7.889310   5.690691
    18  C    6.971652   7.119015   6.666828   7.990177   6.230720
    19  H    6.319343   6.373914   6.156332   7.353306   5.708697
    20  H    7.998005   8.115536   7.740852   9.013686   7.171585
    21  H    7.031816   7.125062   6.596511   8.076919   6.592018
    22  C    6.564344   7.018628   6.395922   7.389372   4.987097
    23  H    7.475686   7.871611   7.388744   8.299136   5.865412
    24  H    5.691157   6.095840   5.652785   6.523863   4.189927
    25  H    6.666561   7.272444   6.448364   7.381664   4.812911
    26  C    3.924185   4.708195   2.921337   4.231473   3.992129
    27  O    4.041119   4.616974   2.966759   4.326967   4.785311
    28  N    4.732277   5.493060   3.780077   5.214477   4.295067
    29  H    3.577001   4.526037   2.770303   3.672962   3.323141
    30  C    5.247168   6.129278   4.495531   5.672792   4.059539
    31  H    6.275366   7.176827   5.495860   6.623688   5.046159
    32  H    5.451610   6.249535   4.785820   6.031170   4.100334
    33  H    4.769051   5.753689   4.167033   5.045362   3.308894
    34  C    5.683955   6.258071   4.671632   6.301643   5.509096
    35  H    6.612002   7.221655   5.573318   7.134169   6.393699
    36  H    5.420776   5.836300   4.369237   6.087551   5.722126
    37  H    6.048159   6.583010   5.127683   6.777536   5.626049
    38  C    4.939794   4.401311   4.674593   5.984921   6.138431
    39  O    4.536668   3.793900   4.535508   5.527613   5.966532
    40  N    4.788476   4.414360   4.241564   5.777885   6.060537
    41  H    5.810240   5.348784   5.537570   6.888381   6.685267
    42  C    4.041952   3.669982   3.405939   4.879741   5.726808
    43  H    3.417471   2.819336   3.041943   4.229666   5.395849
    44  H    4.910769   4.492416   4.249817   5.629927   6.725747
    45  H    3.683120   3.616745   2.818407   4.466652   5.136775
    46  C    5.850010   5.659064   5.134632   6.823980   6.775816
    47  H    6.472627   6.270772   5.846859   7.505306   7.157133
    48  H    5.603688   5.619907   4.760343   6.528914   6.285388
    49  H    6.579284   6.329123   5.822518   7.489079   7.701547
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794895   0.000000
    13  H    1.789468   1.797956   0.000000
    14  C    5.487927   5.363078   6.887654   0.000000
    15  O    6.180047   6.304624   7.723990   1.242844   0.000000
    16  N    5.381332   4.875139   6.560318   1.360805   2.315340
    17  H    5.204000   5.106750   6.552422   1.107896   2.057390
    18  C    6.143375   5.605834   7.279839   2.467759   2.860943
    19  H    5.779481   5.097078   6.750430   3.268860   3.771076
    20  H    7.143549   6.461716   8.190323   3.077763   3.418965
    21  H    6.369079   6.119451   7.677397   2.573392   2.473207
    22  C    5.013531   4.093968   5.862141   2.466920   3.636308
    23  H    6.003068   4.896472   6.681278   3.181285   4.281107
    24  H    4.386330   3.288606   5.082693   3.190801   4.276583
    25  H    4.735961   3.917196   5.583878   2.551694   3.794014
    26  C    2.942810   4.620473   4.539429   5.636373   5.768607
    27  O    3.841926   5.519992   5.318321   6.420394   6.376551
    28  N    3.246440   4.618403   4.993443   4.447840   4.549221
    29  H    2.280203   4.049675   3.668425   6.053230   6.384176
    30  C    3.085096   4.124450   4.676818   3.995838   4.405936
    31  H    4.073370   5.083791   5.552520   4.397545   4.700542
    32  H    3.304020   3.902278   4.864187   2.949528   3.515909
    33  H    2.358150   3.452573   3.754993   4.701165   5.286999
    34  C    4.533138   5.732665   6.317407   4.141748   3.841879
    35  H    5.363825   6.633978   7.116340   4.771763   4.351521
    36  H    4.804431   6.053438   6.563779   4.710288   4.297216
    37  H    4.754417   5.643492   6.524262   3.105437   2.743431
    38  C    6.067062   6.281533   7.116454   6.120559   6.009438
    39  O    6.081859   6.167946   6.847805   6.935599   6.987577
    40  N    5.754325   6.335172   7.031974   5.895616   5.628416
    41  H    6.623036   6.661528   7.715856   5.746224   5.575073
    42  C    5.347554   6.244269   6.566960   6.659813   6.460968
    43  H    5.196100   5.974516   6.156445   7.189417   7.148795
    44  H    6.290931   7.296446   7.514957   7.485413   7.149232
    45  H    4.591053   5.701324   5.962778   6.146553   5.981299
    46  C    6.305028   6.954023   7.793660   5.326091   4.781045
    47  H    6.766825   7.173798   8.222494   4.958855   4.371948
    48  H    5.677446   6.474019   7.290687   4.685280   4.128684
    49  H    7.181224   7.956163   8.681887   6.242385   5.562948
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056884   0.000000
    18  C    1.464954   3.416586   0.000000
    19  H    2.099171   4.094022   1.101585   0.000000
    20  H    2.121400   3.981010   1.102780   1.791675   0.000000
    21  H    2.102773   3.653123   1.097942   1.797661   1.796907
    22  C    1.463056   2.562602   2.491627   2.619050   2.926338
    23  H    2.114022   3.317252   2.783130   2.922245   2.798038
    24  H    2.109015   3.340269   2.750194   2.423733   3.350172
    25  H    2.105036   2.157380   3.419526   3.644582   3.876116
    26  C    6.110503   5.445145   6.800374   6.755196   7.873144
    27  O    6.876928   6.382367   7.368059   7.280993   8.456484
    28  N    5.104853   4.210195   5.920094   6.059952   6.945311
    29  H    6.408473   5.730676   7.197670   7.064560   8.257815
    30  C    4.669240   3.429149   5.774392   5.979559   6.711593
    31  H    5.277449   3.684125   6.464967   6.803904   7.327774
    32  H    3.598219   2.378407   4.773993   5.046666   5.668607
    33  H    5.147362   4.081403   6.266130   6.316434   7.208149
    34  C    4.999221   4.140302   5.638219   5.955207   6.614882
    35  H    5.796622   4.656212   6.501429   6.920371   7.415226
    36  H    5.410126   4.912250   5.790735   6.003196   6.798035
    37  H    4.050120   3.210867   4.710955   5.158083   5.633714
    38  C    5.644087   6.910136   4.856807   4.275066   5.675439
    39  O    6.312957   7.648904   5.562552   4.789646   6.355107
    40  N    5.719852   6.615307   5.164399   4.805153   6.087584
    41  H    5.203858   6.650701   4.200541   3.689622   4.890193
    42  C    6.590911   7.201993   6.276422   5.885674   7.276898
    43  H    6.955817   7.691322   6.628640   6.071868   7.621320
    44  H    7.512945   8.045853   7.154403   6.827976   8.122648
    45  H    6.232162   6.558825   6.159334   5.871138   7.216929
    46  C    5.408523   6.114539   4.873151   4.828699   5.740888
    47  H    4.933730   5.880520   4.178854   4.208246   4.925152
    48  H    4.981765   5.356170   4.739871   4.827281   5.683321
    49  H    6.425497   7.021007   5.869373   5.873710   6.676731
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.392699   0.000000
    23  H    3.818765   1.102349   0.000000
    24  H    3.625018   1.102638   1.790114   0.000000
    25  H    4.184070   1.098949   1.797151   1.794161   0.000000
    26  C    6.561646   6.400787   7.502358   6.107746   6.112293
    27  O    6.987642   7.305748   8.402004   6.962178   7.138506
    28  N    5.676589   5.517500   6.610352   5.429451   5.176260
    29  H    7.114450   6.447987   7.529291   6.071277   6.067852
    30  C    5.762771   4.812762   5.864190   4.854662   4.227829
    31  H    6.420831   5.463251   6.451971   5.669658   4.756413
    32  H    4.845045   3.772681   4.815151   3.929394   3.218774
    33  H    6.388283   4.999195   6.029710   4.875029   4.357452
    34  C    5.155027   5.773997   6.818721   5.844172   5.573004
    35  H    5.983472   6.592520   7.608198   6.768875   6.289171
    36  H    5.180890   6.267018   7.304993   6.215068   6.227231
    37  H    4.232574   4.956297   5.950928   5.163462   4.814165
    38  C    4.379795   6.327456   6.996922   5.743668   7.043108
    39  O    5.278854   6.758323   7.388236   6.008823   7.479279
    40  N    4.525036   6.534116   7.342023   6.059558   7.092123
    41  H    3.667701   6.006462   6.560174   5.541828   6.823819
    42  C    5.716958   7.256965   8.164263   6.702132   7.659409
    43  H    6.214447   7.435754   8.312154   6.740083   7.861472
    44  H    6.491975   8.267929   9.173665   7.760607   8.660220
    45  H    5.634670   6.867089   7.852043   6.372643   7.126092
    46  C    4.005705   6.482035   7.282644   6.248296   6.998343
    47  H    3.236441   6.101121   6.782496   5.952987   6.732860
    48  H    3.908153   6.056131   6.945260   5.905456   6.422601
    49  H    4.934688   7.549161   8.342564   7.345438   8.041735
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242547   0.000000
    28  N    1.361009   2.314936   0.000000
    29  H    1.107936   2.057581   2.057031   0.000000
    30  C    2.465318   3.633882   1.463268   2.561490   0.000000
    31  H    3.125123   4.213854   2.117446   3.247412   1.103059
    32  H    3.238999   4.332921   2.107498   3.401691   1.101562
    33  H    2.554935   3.797275   2.103088   2.163874   1.098553
    34  C    2.462641   2.851472   1.464941   3.413455   2.496639
    35  H    3.021617   3.318840   2.123588   3.940321   2.947469
    36  H    2.586612   2.503865   2.100182   3.659718   3.390255
    37  H    3.294264   3.810886   2.098297   4.116102   2.617192
    38  C    6.072140   5.832897   6.084693   6.619805   6.914966
    39  O    6.481013   6.238547   6.677950   6.863501   7.455922
    40  N    5.147575   4.763147   5.192525   5.847683   6.218214
    41  H    6.681208   6.550759   6.481845   7.265943   7.193695
    42  C    4.466967   3.838396   4.876463   5.123935   6.064401
    43  H    4.813755   4.246377   5.382465   5.263449   6.466009
    44  H    5.046732   4.201856   5.517212   5.782187   6.816940
    45  H    3.383362   2.768866   3.831145   4.101540   5.077836
    46  C    5.253110   4.911665   5.003333   6.126492   6.037677
    47  H    6.001529   5.818423   5.568522   6.832998   6.415459
    48  H    4.365303   4.122892   3.992673   5.297186   5.049700
    49  H    5.807202   5.270662   5.644280   6.751502   6.797476
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787812   0.000000
    33  H    1.798454   1.793895   0.000000
    34  C    2.818626   2.729882   3.419529   0.000000
    35  H    2.853823   3.337279   3.905213   1.103495   0.000000
    36  H    3.847361   3.602012   4.170239   1.097407   1.796269
    37  H    2.957888   2.392719   3.630325   1.099897   1.791155
    38  C    7.872777   6.545699   7.216926   5.839478   6.834416
    39  O    8.479804   7.136156   7.587381   6.662134   7.691490
    40  N    7.102650   5.993132   6.619139   4.810433   5.735750
    41  H    8.106610   6.676471   7.587783   6.093958   7.067994
    42  C    6.946427   6.093518   6.337119   4.715927   5.581472
    43  H    7.423826   6.505367   6.564686   5.473941   6.388596
    44  H    7.613614   6.924012   7.144682   5.201896   5.922997
    45  H    5.928020   5.217797   5.363269   3.759751   4.617246
    46  C    6.769085   5.754959   6.660766   4.232129   5.026872
    47  H    7.132792   5.953212   7.078006   4.751257   5.548161
    48  H    5.722923   4.825587   5.744017   3.136153   3.931807
    49  H    7.447126   6.612046   7.458499   4.743597   5.373537
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796471   0.000000
    38  C    5.138348   5.671625   0.000000
    39  O    5.985801   6.572592   1.241724   0.000000
    40  N    3.980225   4.797131   1.361984   2.318789   0.000000
    41  H    5.480156   5.735254   1.109416   2.057546   2.055345
    42  C    3.799056   5.023438   2.473034   2.876829   1.462929
    43  H    4.650668   5.784988   2.556901   2.447429   2.099974
    44  H    4.173971   5.604192   3.164381   3.580613   2.110573
    45  H    2.883147   4.200002   3.212733   3.682244   2.104445
    46  C    3.405113   4.086366   2.467571   3.637700   1.462371
    47  H    4.096518   4.354827   2.556635   3.797913   2.106318
    48  H    2.342287   3.028023   3.214873   4.305613   2.108842
    49  H    3.801486   4.726361   3.158625   4.255453   2.112606
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417432   0.000000
    43  H    3.644830   1.096594   0.000000
    44  H    4.039210   1.102884   1.798603   0.000000
    45  H    4.046143   1.101574   1.799747   1.787755   0.000000
    46  C    2.558809   2.482271   3.406754   2.791177   2.707939
    47  H    2.157727   3.412132   4.197453   3.792616   3.685702
    48  H    3.364062   2.710726   3.688090   3.118132   2.467915
    49  H    3.287918   2.798536   3.792378   2.656834   3.127454
                   46         47         48         49
    46  C    0.000000
    47  H    1.098971   0.000000
    48  H    1.102505   1.797117   0.000000
    49  H    1.102815   1.796528   1.787224   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2155097      0.1877208      0.1841494
 Leave Link  202 at Mon Nov 14 00:35:50 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1845.4459444208 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1834092938 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1845.2625351270 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4051
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.31D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     229
 GePol: Fraction of low-weight points (<1% of avg)   =       5.65%
 GePol: Cavity surface area                          =    467.866 Ang**2
 GePol: Cavity volume                                =    458.284 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040386637 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1845.2584964633 Hartrees.
 Leave Link  301 at Mon Nov 14 00:35:50 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:35:52 2016, MaxMem=  2952790016 cpu:        14.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:35:52 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000078    0.001494    0.001111
         Rot=    1.000000   -0.000102    0.000108   -0.000199 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50897528070    
 Leave Link  401 at Mon Nov 14 00:35:58 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49231803.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.09D-14 for   2513.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.76D-15 for   1808   1000.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.30D-14 for   2513.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.07D-12 for   3292   1930.
 E= -1013.45037812720    
 DIIS: error= 4.44D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45037812720     IErMin= 1 ErrMin= 4.44D-04
 ErrMax= 4.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-04 BMatP= 1.67D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.44D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.74D-05 MaxDP=3.87D-03              OVMax= 5.59D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.74D-05    CP:  1.00D+00
 E= -1013.45068933096     Delta-E=       -0.000311203754 Rises=F Damp=F
 DIIS: error= 3.70D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45068933096     IErMin= 2 ErrMin= 3.70D-05
 ErrMax= 3.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-06 BMatP= 1.67D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-01 0.987D+00
 Coeff:      0.126D-01 0.987D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.45D-06 MaxDP=5.50D-04 DE=-3.11D-04 OVMax= 6.50D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.25D-06    CP:  1.00D+00  9.72D-01
 E= -1013.45068631656     Delta-E=        0.000003014393 Rises=F Damp=F
 DIIS: error= 9.48D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45068933096     IErMin= 2 ErrMin= 3.70D-05
 ErrMax= 9.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.64D-06 BMatP= 1.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-02 0.652D+00 0.346D+00
 Coeff:      0.123D-02 0.652D+00 0.346D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.18D-06 MaxDP=4.77D-04 DE= 3.01D-06 OVMax= 6.44D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.05D-06    CP:  1.00D+00  9.77D-01  3.60D-01
 E= -1013.45069040985     Delta-E=       -0.000004093283 Rises=F Damp=F
 DIIS: error= 3.20D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45069040985     IErMin= 4 ErrMin= 3.20D-05
 ErrMax= 3.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.58D-07 BMatP= 1.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.939D-04 0.289D+00 0.253D+00 0.459D+00
 Coeff:     -0.939D-04 0.289D+00 0.253D+00 0.459D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.50D-06 MaxDP=1.24D-04 DE=-4.09D-06 OVMax= 2.42D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.24D-06    CP:  1.00D+00  9.79D-01  4.45D-01  5.02D-01
 E= -1013.45069090186     Delta-E=       -0.000000492017 Rises=F Damp=F
 DIIS: error= 1.61D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45069090186     IErMin= 5 ErrMin= 1.61D-05
 ErrMax= 1.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.19D-08 BMatP= 6.58D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.311D-04 0.150D+00 0.150D+00 0.327D+00 0.373D+00
 Coeff:     -0.311D-04 0.150D+00 0.150D+00 0.327D+00 0.373D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.79D-07 MaxDP=5.35D-05 DE=-4.92D-07 OVMax= 6.96D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.43D-07    CP:  1.00D+00  9.80D-01  4.34D-01  5.32D-01  6.04D-01
 E= -1013.45069097168     Delta-E=       -0.000000069812 Rises=F Damp=F
 DIIS: error= 9.06D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45069097168     IErMin= 6 ErrMin= 9.06D-07
 ErrMax= 9.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-10 BMatP= 8.19D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.255D-04 0.463D-01 0.486D-01 0.109D+00 0.146D+00 0.651D+00
 Coeff:     -0.255D-04 0.463D-01 0.486D-01 0.109D+00 0.146D+00 0.651D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.68D-08 MaxDP=4.57D-06 DE=-6.98D-08 OVMax= 6.07D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.45D-08    CP:  1.00D+00  9.80D-01  4.37D-01  5.32D-01  5.96D-01
                    CP:  9.08D-01
 E= -1013.45069097207     Delta-E=       -0.000000000395 Rises=F Damp=F
 DIIS: error= 4.78D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45069097207     IErMin= 7 ErrMin= 4.78D-07
 ErrMax= 4.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-10 BMatP= 4.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.158D-04 0.107D-01 0.120D-01 0.276D-01 0.429D-01 0.365D+00
 Coeff-Com:  0.542D+00
 Coeff:     -0.158D-04 0.107D-01 0.120D-01 0.276D-01 0.429D-01 0.365D+00
 Coeff:      0.542D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.47D-08 MaxDP=2.05D-06 DE=-3.95D-10 OVMax= 2.42D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.52D-08    CP:  1.00D+00  9.80D-01  4.36D-01  5.33D-01  5.96D-01
                    CP:  9.10D-01  7.37D-01
 E= -1013.45069097203     Delta-E=        0.000000000038 Rises=F Damp=F
 DIIS: error= 8.19D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45069097207     IErMin= 8 ErrMin= 8.19D-08
 ErrMax= 8.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.08D-12 BMatP= 1.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.525D-05 0.245D-02 0.293D-02 0.679D-02 0.119D-01 0.132D+00
 Coeff-Com:  0.254D+00 0.590D+00
 Coeff:     -0.525D-05 0.245D-02 0.293D-02 0.679D-02 0.119D-01 0.132D+00
 Coeff:      0.254D+00 0.590D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.24D-08 MaxDP=8.32D-07 DE= 3.77D-11 OVMax= 1.08D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.95D-09    CP:  1.00D+00  9.80D-01  4.36D-01  5.33D-01  5.98D-01
                    CP:  9.17D-01  7.52D-01  7.04D-01
 E= -1013.45069097208     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 1.12D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45069097208     IErMin= 8 ErrMin= 8.19D-08
 ErrMax= 1.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.70D-12 BMatP= 5.08D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.221D-05 0.512D-03 0.732D-03 0.168D-02 0.376D-02 0.568D-01
 Coeff-Com:  0.134D+00 0.487D+00 0.316D+00
 Coeff:     -0.221D-05 0.512D-03 0.732D-03 0.168D-02 0.376D-02 0.568D-01
 Coeff:      0.134D+00 0.487D+00 0.316D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.81D-09 MaxDP=3.75D-07 DE=-4.73D-11 OVMax= 6.53D-07

 Error on total polarization charges =  0.04251
 SCF Done:  E(RB97D) =  -1013.45069097     A.U. after    9 cycles
            NFock=  9  Conv=0.58D-08     -V/T= 2.0213
 KE= 9.923554426889D+02 PE=-6.021854225236D+03 EE= 2.170789595112D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:37:45 2016, MaxMem=  2952790016 cpu:      1215.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 00:37:53 2016, MaxMem=  2952790016 cpu:       100.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:37:54 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:38:30 2016, MaxMem=  2952790016 cpu:       440.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.57441063D+00-2.95158708D+00 3.46556186D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000335144    0.001316860   -0.000844866
      2        6          -0.000194230    0.000018501   -0.000107993
      3        8           0.000049841    0.000016313    0.000006296
      4        7           0.000178212    0.000027382   -0.000216213
      5        1           0.000063797   -0.000084589    0.000206364
      6        6           0.000121135   -0.000018577    0.000134682
      7        1           0.000041586    0.000029302    0.000005163
      8        1           0.000068932   -0.000045236    0.000022749
      9        1           0.000023918   -0.000031826   -0.000004496
     10        6           0.000012244   -0.000071402   -0.000008384
     11        1           0.000020040   -0.000108027   -0.000010982
     12        1           0.000006572    0.000011366   -0.000014914
     13        1           0.000038016    0.000003480    0.000041860
     14        6           0.000011633    0.000008651    0.000045618
     15        8          -0.000043216   -0.000017672   -0.000018970
     16        7          -0.000048268    0.000020158    0.000007845
     17        1          -0.000035048    0.000005537   -0.000025012
     18        6          -0.000084659   -0.000029897    0.000081829
     19        1          -0.000013363    0.000030204   -0.000019847
     20        1          -0.000035937    0.000032725   -0.000025825
     21        1           0.000039718    0.000091481   -0.000057754
     22        6          -0.000075775    0.000009151    0.000075021
     23        1          -0.000011619    0.000014783   -0.000030607
     24        1          -0.000088738    0.000013130    0.000012533
     25        1          -0.000011639    0.000022476   -0.000030732
     26        6           0.000058990   -0.000106869   -0.000041186
     27        8          -0.000077200   -0.000020213    0.000019650
     28        7          -0.000003245   -0.000026105    0.000031984
     29        1           0.000077629   -0.000017341    0.000063240
     30        6          -0.000039469   -0.000026840   -0.000026403
     31        1          -0.000044264   -0.000002758    0.000084918
     32        1           0.000032133    0.000040900    0.000043240
     33        1           0.000043718   -0.000036911    0.000014463
     34        6          -0.000025971    0.000008232    0.000085229
     35        1          -0.000025446   -0.000033025    0.000013252
     36        1          -0.000054394   -0.000021812   -0.000053912
     37        1          -0.000000496   -0.000038768    0.000013480
     38        6          -0.000080587   -0.000282252    0.000548440
     39        8           0.000411475   -0.000337708   -0.000391445
     40        7          -0.000101785    0.000375156   -0.000230029
     41        1          -0.000327759    0.000335609    0.000226037
     42        6           0.000023935   -0.000145174    0.000074982
     43        1           0.000033356   -0.000194307   -0.000023413
     44        1           0.000083551    0.000145463   -0.000074569
     45        1          -0.000002668   -0.000096876    0.000238605
     46        6          -0.000164281   -0.000170016    0.000445130
     47        1           0.000199021   -0.000311617   -0.000288155
     48        1          -0.000366202   -0.000260197    0.000021236
     49        1          -0.000018339   -0.000040841   -0.000018137
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001316860 RMS     0.000186146
 Leave Link  716 at Mon Nov 14 00:38:31 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000475611 RMS     0.000049497
 Search for a local minimum.
 Step number   8 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .49497D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    6    7    8
 DE= -4.25D-05 DEPred=-1.61D-05 R= 2.63D+00
 TightC=F SS=  1.41D+00  RLast= 1.28D-01 DXNew= 1.4968D+00 3.8362D-01
 Trust test= 2.63D+00 RLast= 1.28D-01 DXMaxT set to 8.90D-01
 ITU=  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00098   0.00341   0.00363   0.00383   0.00389
     Eigenvalues ---    0.00537   0.00682   0.00753   0.00771   0.00839
     Eigenvalues ---    0.00888   0.00898   0.00937   0.01022   0.01026
     Eigenvalues ---    0.01055   0.01194   0.01229   0.01289   0.01353
     Eigenvalues ---    0.01382   0.01396   0.01492   0.01511   0.01537
     Eigenvalues ---    0.01607   0.01753   0.01777   0.01860   0.01892
     Eigenvalues ---    0.01938   0.01971   0.02056   0.02113   0.02131
     Eigenvalues ---    0.02167   0.02264   0.02493   0.02826   0.02878
     Eigenvalues ---    0.03131   0.03593   0.03772   0.04135   0.04265
     Eigenvalues ---    0.04288   0.04754   0.05074   0.05302   0.05718
     Eigenvalues ---    0.05775   0.06072   0.06101   0.06257   0.06874
     Eigenvalues ---    0.07353   0.07702   0.07751   0.07853   0.07981
     Eigenvalues ---    0.08050   0.08130   0.08400   0.08475   0.08559
     Eigenvalues ---    0.08606   0.08717   0.08783   0.08877   0.09149
     Eigenvalues ---    0.09199   0.09519   0.09778   0.09992   0.10006
     Eigenvalues ---    0.10074   0.10158   0.10362   0.10519   0.10528
     Eigenvalues ---    0.10600   0.10656   0.10806   0.11309   0.11340
     Eigenvalues ---    0.11488   0.11585   0.11814   0.12763   0.13340
     Eigenvalues ---    0.13718   0.14438   0.14687   0.15306   0.15643
     Eigenvalues ---    0.16014   0.16804   0.22064   0.23182   0.23742
     Eigenvalues ---    0.23993   0.24662   0.25072   0.25555   0.26507
     Eigenvalues ---    0.26920   0.27544   0.27990   0.29259   0.29793
     Eigenvalues ---    0.29858   0.29954   0.32725   0.32728   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33388   0.33416   0.33425   0.33440   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33832   0.33897   0.33915
     Eigenvalues ---    0.33943   0.33998   0.34130   0.37095   0.39511
     Eigenvalues ---    0.40719   0.41459   0.85943   0.85986   0.86094
     Eigenvalues ---    0.86688
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     8    7    6    5    4
 RFO step:  Lambda=-1.08323583D-05.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  5.44D-05 SmlDif=  1.00D-05
 RMS Error=  0.3050046366D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.55815   -1.67877   -0.31759    0.20623    0.23198
 Iteration  1 RMS(Cart)=  0.00405808 RMS(Int)=  0.00017885
 Iteration  2 RMS(Cart)=  0.00003335 RMS(Int)=  0.00017104
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00017104
 ITry= 1 IFail=0 DXMaxC= 4.03D-02 DCOld= 1.00D+10 DXMaxT= 8.90D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.71278  -0.00006  -0.01726  -0.00372  -0.02101   6.69176
    R2        6.21603   0.00001   0.00037   0.00081   0.00118   6.21721
    R3        6.99148  -0.00003  -0.00055   0.00123   0.00070   6.99218
    R4        6.04719  -0.00001   0.00060   0.00059   0.00116   6.04835
    R5        6.59342   0.00006   0.00225   0.00054   0.00280   6.59622
    R6        5.96065   0.00003   0.00285   0.00029   0.00315   5.96380
    R7        6.71890  -0.00002  -0.00047   0.00025  -0.00022   6.71868
    R8        6.22513  -0.00001  -0.00056   0.00011  -0.00044   6.22470
    R9        6.63996  -0.00001  -0.00335  -0.00048  -0.00382   6.63614
   R10        6.04330  -0.00001  -0.00124   0.00101  -0.00022   6.04307
   R11        6.97587   0.00000  -0.00039   0.00040   0.00002   6.97589
   R12        6.02507   0.00001  -0.00042   0.00051   0.00009   6.02516
   R13        6.91098   0.00002   0.00045   0.00102   0.00149   6.91247
   R14        6.19443   0.00002   0.00137   0.00019   0.00158   6.19601
   R15        6.85873   0.00006   0.00392   0.00133   0.00528   6.86401
   R16        5.95461   0.00001   0.00310   0.00089   0.00400   5.95861
   R17        6.69775  -0.00006  -0.00138  -0.00200  -0.00339   6.69436
   R18        6.65416  -0.00021   0.00326  -0.00762  -0.00469   6.64948
   R19        6.22461  -0.00003   0.00611  -0.00260   0.00376   6.22837
   R20        6.90988  -0.00019  -0.00862  -0.01200  -0.02064   6.88924
   R21        6.04663  -0.00003  -0.00602  -0.00715  -0.01314   6.03349
   R22        6.78792   0.00019  -0.01859   0.01099  -0.00570   6.78222
   R23        5.92430   0.00009  -0.02165   0.00601  -0.01690   5.90741
   R24        2.34836   0.00000   0.00000  -0.00005  -0.00005   2.34830
   R25        2.57280   0.00007   0.00057   0.00000   0.00068   2.57347
   R26        2.09494  -0.00006  -0.00046   0.00001  -0.00045   2.09449
   R27        2.76587   0.00004   0.00050   0.00004   0.00053   2.76640
   R28        2.76750  -0.00001   0.00028   0.00003   0.00032   2.76782
   R29        2.07583   0.00001   0.00002   0.00006   0.00008   2.07591
   R30        2.08261   0.00000   0.00014  -0.00001   0.00009   2.08270
   R31        2.08333  -0.00001  -0.00011  -0.00003  -0.00014   2.08319
   R32        2.07955   0.00002   0.00038   0.00005   0.00044   2.07998
   R33        2.07463   0.00001   0.00007   0.00002   0.00009   2.07472
   R34        2.08401  -0.00001  -0.00012  -0.00003  -0.00014   2.08387
   R35        2.34864   0.00000   0.00000   0.00001   0.00001   2.34865
   R36        2.57155   0.00002  -0.00006   0.00006  -0.00003   2.57152
   R37        2.09362  -0.00001  -0.00002   0.00000  -0.00002   2.09360
   R38        2.76836   0.00000  -0.00038   0.00027  -0.00011   2.76825
   R39        2.76477   0.00000  -0.00038   0.00004  -0.00045   2.76433
   R40        2.08169   0.00001  -0.00006   0.00010   0.00004   2.08173
   R41        2.08395   0.00000   0.00002  -0.00001   0.00001   2.08396
   R42        2.07481   0.00001  -0.00003   0.00005   0.00002   2.07483
   R43        2.08314   0.00000   0.00000   0.00001   0.00000   2.08314
   R44        2.08368   0.00002   0.00013  -0.00007   0.00014   2.08382
   R45        2.07671   0.00000   0.00002   0.00000   0.00002   2.07673
   R46        2.34807   0.00001   0.00006   0.00002   0.00008   2.34815
   R47        2.57193  -0.00003   0.00000  -0.00001  -0.00002   2.57192
   R48        2.09370   0.00000  -0.00001  -0.00002  -0.00002   2.09367
   R49        2.76518  -0.00005   0.00001  -0.00002  -0.00004   2.76513
   R50        2.76834   0.00002  -0.00007   0.00011   0.00002   2.76836
   R51        2.08448   0.00000  -0.00003   0.00000  -0.00003   2.08445
   R52        2.08165  -0.00001  -0.00020   0.00006  -0.00027   2.08138
   R53        2.07596   0.00001   0.00004   0.00003   0.00007   2.07603
   R54        2.08530   0.00000   0.00000  -0.00001   0.00000   2.08530
   R55        2.07380   0.00000   0.00004   0.00001   0.00005   2.07384
   R56        2.07850  -0.00001  -0.00005  -0.00003  -0.00008   2.07843
   R57        2.34652   0.00002   0.00006   0.00021   0.00027   2.34679
   R58        2.57378  -0.00010  -0.00136   0.00029  -0.00129   2.57249
   R59        2.09649   0.00003  -0.00003  -0.00007  -0.00010   2.09639
   R60        2.76454   0.00004  -0.00062   0.00014  -0.00048   2.76406
   R61        2.76348   0.00024   0.00195   0.00054   0.00237   2.76585
   R62        2.07226  -0.00007  -0.00002  -0.00005  -0.00007   2.07219
   R63        2.08415   0.00003  -0.00035   0.00025  -0.00011   2.08404
   R64        2.08167  -0.00004  -0.00058  -0.00019  -0.00083   2.08085
   R65        2.07676   0.00006   0.00055  -0.00027   0.00029   2.07704
   R66        2.08343  -0.00004  -0.00219   0.00120  -0.00284   2.08060
   R67        2.08402  -0.00003  -0.00050   0.00021  -0.00030   2.08372
    A1        0.69324   0.00002   0.00090   0.00008   0.00098   0.69422
    A2        0.97922   0.00002   0.00104   0.00000   0.00104   0.98026
    A3        0.71564   0.00001   0.00108   0.00020   0.00130   0.71694
    A4        1.01028   0.00001   0.00112   0.00020   0.00133   1.01161
    A5        2.30359   0.00000   0.00005  -0.00012  -0.00005   2.30353
    A6        1.97983  -0.00001  -0.00010  -0.00001  -0.00010   1.97973
    A7        1.93428   0.00000  -0.00032   0.00015  -0.00016   1.93412
    A8        1.64194  -0.00001  -0.00069   0.00002  -0.00067   1.64127
    A9        1.61396  -0.00001   0.00002  -0.00005   0.00001   1.61397
   A10        1.33107  -0.00001  -0.00004  -0.00002  -0.00004   1.33104
   A11        1.74507   0.00002   0.00096   0.00012   0.00109   1.74615
   A12        2.03923   0.00001   0.00111   0.00010   0.00123   2.04046
   A13        1.92857   0.00001   0.00142   0.00021   0.00165   1.93021
   A14        2.00997   0.00001   0.00089  -0.00003   0.00087   2.01084
   A15        2.44014   0.00002   0.00099   0.00019   0.00120   2.44133
   A16        1.50153   0.00002  -0.00033   0.00116   0.00076   1.50230
   A17        1.74995   0.00001  -0.00056   0.00109   0.00052   1.75047
   A18        1.59952   0.00001  -0.00048  -0.00021  -0.00070   1.59882
   A19        1.69323   0.00006   0.00133   0.00119   0.00257   1.69581
   A20        2.16648   0.00003   0.00068   0.00054   0.00123   2.16772
   A21        2.39242   0.00004   0.00114   0.00178   0.00304   2.39546
   A22        0.66075   0.00001   0.00031  -0.00006   0.00025   0.66100
   A23        0.66338   0.00000  -0.00006  -0.00003  -0.00009   0.66329
   A24        2.38141  -0.00001  -0.00025  -0.00027  -0.00050   2.38091
   A25        2.19026   0.00000   0.00008  -0.00001   0.00008   2.19034
   A26        2.27795   0.00001   0.00046   0.00030   0.00077   2.27872
   A27        2.01174   0.00000   0.00020   0.00019   0.00039   2.01212
   A28        1.78515   0.00000   0.00009   0.00000   0.00011   1.78526
   A29        1.53552   0.00000   0.00015   0.00006   0.00023   1.53576
   A30        1.35346   0.00000  -0.00013  -0.00010  -0.00022   1.35324
   A31        1.65030   0.00000  -0.00011  -0.00014  -0.00024   1.65007
   A32        1.59748  -0.00001   0.00010  -0.00007   0.00005   1.59753
   A33        1.75022  -0.00002  -0.00036  -0.00030  -0.00067   1.74955
   A34        2.04691   0.00000  -0.00013  -0.00003  -0.00015   2.04676
   A35        1.70208   0.00004   0.00083   0.00187   0.00266   1.70474
   A36        1.82172   0.00003   0.00046   0.00151   0.00201   1.82373
   A37        1.53574   0.00002   0.00001   0.00009   0.00009   1.53583
   A38        1.52117   0.00006   0.00139   0.00118   0.00264   1.52381
   A39        2.22021   0.00007   0.00173   0.00071   0.00256   2.22277
   A40        2.31847   0.00008   0.00230   0.00261   0.00482   2.32329
   A41        0.70609   0.00000   0.00001  -0.00009  -0.00008   0.70601
   A42        0.77369   0.00000   0.00001  -0.00003  -0.00002   0.77367
   A43        2.68445   0.00000  -0.00051  -0.00037  -0.00086   2.68358
   A44        2.59303   0.00001   0.00015  -0.00009   0.00007   2.59310
   A45        2.62211   0.00001   0.00070   0.00025   0.00095   2.62307
   A46        2.31442   0.00001   0.00046   0.00017   0.00062   2.31504
   A47        2.18652   0.00001   0.00017  -0.00008   0.00013   2.18665
   A48        1.94100   0.00000   0.00027  -0.00001   0.00028   1.94128
   A49        1.12519  -0.00001  -0.00038  -0.00006  -0.00043   1.12476
   A50        1.48665  -0.00001  -0.00038  -0.00013  -0.00050   1.48616
   A51        1.59581  -0.00002  -0.00025  -0.00013  -0.00037   1.59544
   A52        1.83563  -0.00002  -0.00067  -0.00033  -0.00101   1.83462
   A53        1.80387  -0.00001  -0.00047  -0.00003  -0.00049   1.80338
   A54        1.50606   0.00004   0.00098   0.00220   0.00318   1.50924
   A55        1.50476   0.00002   0.00062   0.00163   0.00230   1.50706
   A56        1.16337   0.00001   0.00006   0.00025   0.00029   1.16366
   A57        1.11786   0.00005   0.00129   0.00125   0.00260   1.12046
   A58        1.86204   0.00006   0.00171   0.00074   0.00257   1.86462
   A59        1.91762   0.00007   0.00224   0.00273   0.00485   1.92247
   A60        0.84175   0.00001   0.00030   0.00009   0.00039   0.84213
   A61        0.78503   0.00000   0.00033   0.00023   0.00055   0.78558
   A62        2.60990  -0.00002  -0.00059  -0.00003  -0.00061   2.60929
   A63        2.75578   0.00000   0.00002   0.00008   0.00013   2.75591
   A64        2.59013   0.00001   0.00051   0.00000   0.00052   2.59065
   A65        2.37644   0.00001   0.00029   0.00012   0.00045   2.37689
   A66        2.17237   0.00001   0.00045   0.00011   0.00059   2.17296
   A67        0.87068  -0.00001  -0.00040   0.00016  -0.00023   0.87044
   A68        1.24593  -0.00002  -0.00039   0.00010  -0.00029   1.24564
   A69        1.43244  -0.00002  -0.00028   0.00012  -0.00015   1.43229
   A70        1.70682  -0.00003  -0.00064  -0.00003  -0.00069   1.70614
   A71        1.52766  -0.00001  -0.00054   0.00012  -0.00042   1.52724
   A72        1.53585   0.00005   0.00083   0.00196   0.00279   1.53864
   A73        1.42325   0.00003   0.00058   0.00134   0.00198   1.42522
   A74        1.03188   0.00001   0.00003   0.00019   0.00021   1.03209
   A75        0.91207   0.00004   0.00108   0.00102   0.00216   0.91423
   A76        1.71140   0.00007   0.00142   0.00047   0.00204   1.71343
   A77        1.70036   0.00007   0.00210   0.00266   0.00456   1.70493
   A78        1.99686  -0.00001  -0.00032  -0.00028  -0.00060   1.99626
   A79        1.92539   0.00000  -0.00010  -0.00005  -0.00014   1.92526
   A80        2.19357   0.00000   0.00021   0.00022   0.00044   2.19401
   A81        2.04491  -0.00001  -0.00006   0.00011   0.00006   2.04497
   A82        1.53470   0.00000   0.00001   0.00003   0.00006   1.53477
   A83        1.35409   0.00000   0.00011   0.00012   0.00024   1.35433
   A84        1.18466   0.00001   0.00011  -0.00006   0.00005   1.18470
   A85        1.37406   0.00000   0.00013  -0.00008   0.00005   1.37412
   A86        1.21312   0.00000   0.00033   0.00000   0.00034   1.21346
   A87        1.32783  -0.00001  -0.00021  -0.00025  -0.00046   1.32737
   A88        1.79979   0.00001   0.00019   0.00006   0.00025   1.80005
   A89        2.13346   0.00004   0.00075   0.00185   0.00257   2.13603
   A90        2.20969   0.00003   0.00058   0.00154   0.00217   2.21187
   A91        1.85899   0.00001   0.00018   0.00024   0.00040   1.85940
   A92        1.74975   0.00005   0.00138   0.00103   0.00246   1.75221
   A93        2.55212   0.00007   0.00168   0.00058   0.00246   2.55458
   A94        2.49831   0.00008   0.00230   0.00254   0.00458   2.50289
   A95        1.91300  -0.00001  -0.00056  -0.00035  -0.00090   1.91210
   A96        1.97420  -0.00001  -0.00037  -0.00014  -0.00050   1.97370
   A97        2.34174   0.00000  -0.00009   0.00008  -0.00001   2.34173
   A98        2.28576  -0.00001  -0.00027   0.00001  -0.00025   2.28551
   A99        1.63781   0.00000  -0.00019  -0.00001  -0.00018   1.63763
   A100       1.52729   0.00000  -0.00004   0.00008   0.00005   1.52734
   A101       0.88202   0.00001   0.00022  -0.00001   0.00020   0.88222
   A102       1.05748   0.00000   0.00015  -0.00006   0.00009   1.05757
   A103       0.93456   0.00000   0.00020  -0.00003   0.00016   0.93472
   A104       1.10310  -0.00002  -0.00043  -0.00030  -0.00074   1.10236
   A105       1.48294   0.00001   0.00021   0.00008   0.00029   1.48323
   A106       2.27969   0.00005   0.00099   0.00218   0.00317   2.28286
   A107       2.20503   0.00003   0.00096   0.00152   0.00255   2.20758
   A108       1.80159   0.00001   0.00052   0.00046   0.00096   1.80255
   A109       1.61491   0.00004   0.00138   0.00087   0.00228   1.61720
   A110       2.41264   0.00007   0.00148   0.00040   0.00209   2.41473
   A111       2.25211   0.00008   0.00211   0.00223   0.00402   2.25613
   A112       0.71310   0.00000   0.00012   0.00005   0.00017   0.71327
   A113       1.00541   0.00000   0.00018   0.00002   0.00020   1.00561
   A114       0.69373   0.00000  -0.00001  -0.00004  -0.00008   0.69365
   A115       0.98017   0.00001   0.00003  -0.00006  -0.00004   0.98012
   A116       1.79385  -0.00001  -0.00027  -0.00015  -0.00042   1.79342
   A117       1.41559   0.00000  -0.00024  -0.00006  -0.00031   1.41528
   A118       1.17931   0.00001  -0.00031  -0.00013  -0.00045   1.17886
   A119       0.90327   0.00002   0.00006   0.00000   0.00008   0.90335
   A120       1.24572   0.00000   0.00004   0.00003   0.00006   1.24579
   A121       2.08983  -0.00004  -0.00044  -0.00185  -0.00229   2.08754
   A122       2.07261  -0.00002  -0.00022  -0.00126  -0.00153   2.07108
   A123       2.35377  -0.00001   0.00019   0.00022   0.00043   2.35419
   A124       2.28480  -0.00006  -0.00132  -0.00106  -0.00245   2.28235
   A125       1.68155  -0.00006  -0.00150  -0.00045  -0.00206   1.67949
   A126       1.54756  -0.00006  -0.00197  -0.00215  -0.00414   1.54342
   A127       0.65787  -0.00001   0.00007  -0.00003   0.00004   0.65791
   A128       0.66196   0.00000   0.00001  -0.00003  -0.00003   0.66194
   A129       2.14621   0.00000  -0.00015  -0.00007  -0.00024   2.14598
   A130       1.77894   0.00001  -0.00012   0.00001  -0.00013   1.77882
   A131       1.47769   0.00002  -0.00004   0.00003  -0.00001   1.47768
   A132       1.18388   0.00003   0.00025   0.00012   0.00039   1.18427
   A133       1.63844   0.00000   0.00006   0.00002   0.00007   1.63851
   A134       1.95079  -0.00004  -0.00055  -0.00201  -0.00259   1.94820
   A135       2.10316  -0.00003  -0.00059  -0.00141  -0.00207   2.10109
   A136       2.49432  -0.00001  -0.00015  -0.00024  -0.00034   2.49398
   A137       2.57173  -0.00005  -0.00148  -0.00117  -0.00271   2.56902
   A138       1.80525  -0.00007  -0.00163  -0.00055  -0.00236   1.80289
   A139       1.77250  -0.00008  -0.00239  -0.00263  -0.00492   1.76758
   A140       0.70455   0.00000   0.00008   0.00007   0.00014   0.70469
   A141       0.84042   0.00000   0.00008   0.00009   0.00016   0.84058
   A142       2.49577  -0.00001  -0.00024  -0.00017  -0.00042   2.49534
   A143       2.11652   0.00000  -0.00022  -0.00010  -0.00033   2.11619
   A144       1.88259   0.00001  -0.00006   0.00000  -0.00006   1.88252
   A145       1.59409   0.00002   0.00031   0.00013   0.00046   1.59455
   A146       1.85071  -0.00001  -0.00020  -0.00021  -0.00043   1.85029
   A147       1.52403  -0.00004  -0.00069  -0.00208  -0.00280   1.52123
   A148       1.72148  -0.00003  -0.00086  -0.00145  -0.00238   1.71910
   A149       2.13206  -0.00001  -0.00043  -0.00054  -0.00094   2.13111
   A150       2.32235  -0.00004  -0.00141  -0.00106  -0.00251   2.31984
   A151       1.51129  -0.00007  -0.00168  -0.00064  -0.00251   1.50878
   A152       1.58405  -0.00009  -0.00266  -0.00288  -0.00530   1.57875
   A153       0.76730  -0.00001  -0.00018  -0.00014  -0.00032   0.76698
   A154       0.77855  -0.00001  -0.00030  -0.00013  -0.00043   0.77812
   A155       2.79894  -0.00001  -0.00009  -0.00012  -0.00022   2.79872
   A156       2.42079   0.00000  -0.00007  -0.00005  -0.00013   2.42067
   A157       2.13202   0.00001   0.00006   0.00002   0.00008   2.13209
   A158       1.83756   0.00002   0.00032   0.00009   0.00043   1.83799
   A159       2.16415   0.00000   0.00001  -0.00013  -0.00013   2.16402
   A160       1.37643  -0.00002  -0.00045  -0.00176  -0.00226   1.37417
   A161       1.66647  -0.00001  -0.00067  -0.00104  -0.00178   1.66469
   A162       2.06260   0.00001  -0.00029  -0.00051  -0.00078   2.06182
   A163       2.32447  -0.00001  -0.00066  -0.00045  -0.00113   2.32333
   A164       1.57893  -0.00005  -0.00105  -0.00032  -0.00158   1.57735
   A165       1.73346  -0.00007  -0.00213  -0.00249  -0.00430   1.72917
   A166       2.11454   0.00001   0.00014   0.00010   0.00022   2.11476
   A167       1.82436   0.00001   0.00018   0.00018   0.00033   1.82469
   A168       1.43463   0.00003   0.00038   0.00025   0.00061   1.43524
   A169       1.15847   0.00003   0.00047   0.00023   0.00071   1.15918
   A170       1.84756   0.00001   0.00034   0.00022   0.00052   1.84808
   A171       2.13997  -0.00003  -0.00061  -0.00182  -0.00246   2.13751
   A172       2.41753  -0.00003  -0.00083  -0.00132  -0.00224   2.41530
   A173       2.82640  -0.00001  -0.00051  -0.00060  -0.00101   2.82539
   A174       2.19444  -0.00007  -0.00167  -0.00058  -0.00245   2.19199
   A175       2.17880  -0.00008  -0.00242  -0.00264  -0.00497   2.17383
   A176       2.20215   0.00001   0.00032   0.00015   0.00046   2.20261
   A177       1.99317   0.00002   0.00036   0.00021   0.00055   1.99373
   A178       1.58070   0.00003   0.00061   0.00030   0.00090   1.58160
   A179       1.33703   0.00003   0.00056   0.00022   0.00079   1.33782
   A180       2.10087   0.00002   0.00048   0.00025   0.00070   2.10157
   A181       2.05364  -0.00003  -0.00057  -0.00140  -0.00199   2.05164
   A182       2.41525  -0.00003  -0.00096  -0.00092  -0.00194   2.41330
   A183       2.73144   0.00000  -0.00063  -0.00071  -0.00130   2.73014
   A184       2.34251  -0.00007  -0.00152  -0.00052  -0.00223   2.34028
   A185       2.41039  -0.00008  -0.00255  -0.00278  -0.00515   2.40524
   A186       0.69025  -0.00002  -0.00019  -0.00013  -0.00033   0.68992
   A187       0.98133  -0.00003  -0.00038  -0.00017  -0.00058   0.98075
   A188       0.69734   0.00000  -0.00003   0.00005   0.00002   0.69736
   A189       2.01625   0.00002   0.00032   0.00150   0.00189   2.01814
   A190       1.66528   0.00001   0.00062   0.00072   0.00142   1.66670
   A191       1.31406   0.00000   0.00034   0.00059   0.00092   1.31498
   A192       1.02415  -0.00001   0.00020   0.00007   0.00028   1.02443
   A193       1.62098   0.00004   0.00051   0.00008   0.00078   1.62177
   A194       1.38894   0.00006   0.00158   0.00188   0.00306   1.39201
   A195       0.66685  -0.00002  -0.00027  -0.00005  -0.00035   0.66650
   A196       2.21584   0.00000  -0.00006   0.00075   0.00081   2.21666
   A197       1.82198   0.00000   0.00041   0.00015   0.00063   1.82262
   A198       1.55680  -0.00001   0.00029   0.00051   0.00079   1.55759
   A199       1.26548  -0.00003  -0.00031  -0.00039  -0.00072   1.26476
   A200       1.62968   0.00002  -0.00021  -0.00022  -0.00026   1.62942
   A201       1.34348   0.00004   0.00074   0.00097   0.00130   1.34478
   A202       0.71054   0.00000  -0.00014   0.00004  -0.00011   0.71043
   A203       2.62655  -0.00002  -0.00048   0.00047   0.00016   2.62670
   A204       2.22991  -0.00001   0.00007  -0.00008   0.00005   2.22996
   A205       1.96660  -0.00002   0.00006   0.00043   0.00047   1.96707
   A206       1.67314  -0.00004  -0.00043  -0.00038  -0.00084   1.67230
   A207       1.98014  -0.00001  -0.00091  -0.00047  -0.00125   1.97889
   A208       1.68079   0.00001  -0.00017   0.00023  -0.00031   1.68047
   A209       0.83215   0.00000   0.00013   0.00018   0.00028   0.83244
   A210       2.75080  -0.00003  -0.00061  -0.00059  -0.00099   2.74981
   A211       2.38806  -0.00002   0.00011  -0.00040  -0.00025   2.38781
   A212       2.21458  -0.00003   0.00007   0.00048   0.00051   2.21509
   A213       1.92838  -0.00005  -0.00065  -0.00051  -0.00121   1.92717
   A214       2.04258  -0.00002  -0.00101  -0.00041  -0.00135   2.04123
   A215       1.75038   0.00000  -0.00051  -0.00034  -0.00116   1.74922
   A216       1.94562  -0.00002  -0.00053  -0.00016  -0.00058   1.94504
   A217       1.55916  -0.00001   0.00002  -0.00048  -0.00042   1.55874
   A218       1.42785  -0.00002   0.00003   0.00033   0.00036   1.42821
   A219       1.17882  -0.00005  -0.00110  -0.00093  -0.00208   1.17675
   A220       1.26960  -0.00001  -0.00076  -0.00051  -0.00114   1.26846
   A221       0.97042   0.00002   0.00008   0.00023  -0.00011   0.97031
   A222       0.70253   0.00002   0.00013   0.00095   0.00105   0.70358
   A223       0.99257   0.00002   0.00021   0.00142   0.00163   0.99420
   A224       0.70826  -0.00001   0.00073  -0.00016   0.00038   0.70864
   A225       1.00199  -0.00003  -0.00010  -0.00017   0.00020   1.00219
   A226       0.65946   0.00001   0.00014   0.00062   0.00079   0.66025
   A227       0.66666   0.00000   0.00104   0.00015   0.00144   0.66810
   A228       0.69883   0.00006   0.00176   0.00046   0.00225   0.70108
   A229       0.80742   0.00005   0.00212   0.00233   0.00450   0.81192
   A230       0.81249   0.00003   0.00031  -0.00046  -0.00007   0.81243
   A231       0.80011   0.00003   0.00098   0.00150   0.00227   0.80238
   A232       1.69649  -0.00001  -0.00092  -0.00102  -0.00196   1.69453
   A233       1.80876  -0.00016  -0.00722  -0.00099  -0.00822   1.80054
   A234       2.19181  -0.00003  -0.00004  -0.00003  -0.00005   2.19177
   A235       2.12827   0.00005   0.00056   0.00004   0.00053   2.12880
   A236       1.96295  -0.00003  -0.00055  -0.00002  -0.00052   1.96242
   A237       2.12370  -0.00001  -0.00025  -0.00010  -0.00035   2.12334
   A238       2.12154   0.00001   0.00025   0.00003   0.00028   2.12182
   A239       2.03785   0.00000  -0.00013   0.00004  -0.00012   2.03774
   A240       1.73230  -0.00001   0.00071   0.00095   0.00166   1.73395
   A241       2.63204   0.00002  -0.00019  -0.00093  -0.00111   2.63093
   A242       1.91193  -0.00001  -0.00010   0.00002  -0.00011   1.91182
   A243       1.91284   0.00002   0.00115   0.00007   0.00122   1.91407
   A244       1.92517  -0.00001  -0.00107  -0.00035  -0.00137   1.92380
   A245       1.90767   0.00001   0.00005   0.00010   0.00016   1.90784
   A246       1.91147   0.00000  -0.00035   0.00003  -0.00033   1.91115
   A247       1.89458   0.00000   0.00033   0.00014   0.00043   1.89502
   A248       1.36429   0.00001  -0.00023  -0.00008  -0.00032   1.36397
   A249       1.90704  -0.00001   0.00001   0.00012   0.00013   1.90717
   A250       1.90802   0.00000  -0.00033  -0.00009  -0.00044   1.90758
   A251       1.92983   0.00002   0.00033   0.00000   0.00034   1.93017
   A252       1.91062  -0.00001  -0.00017  -0.00012  -0.00029   1.91033
   A253       1.89580   0.00000  -0.00004  -0.00002  -0.00007   1.89573
   A254       1.91240   0.00000   0.00021   0.00011   0.00032   1.91272
   A255       1.71655   0.00000   0.00024   0.00002   0.00024   1.71679
   A256       1.78130   0.00000  -0.00031   0.00006  -0.00024   1.78106
   A257       2.19042  -0.00001  -0.00003  -0.00002  -0.00005   2.19037
   A258       2.12991   0.00000   0.00004  -0.00001   0.00004   2.12995
   A259       1.96265   0.00001  -0.00001   0.00003   0.00002   1.96267
   A260       2.12315  -0.00001  -0.00010  -0.00004  -0.00012   2.12302
   A261       2.12436   0.00001   0.00005  -0.00011  -0.00010   2.12427
   A262       2.03563   0.00000   0.00004   0.00014   0.00021   2.03584
   A263       1.35454  -0.00006  -0.00219  -0.00123  -0.00343   1.35112
   A264       1.90115  -0.00003   0.00018  -0.00013   0.00006   1.90121
   A265       1.93077   0.00002   0.00034   0.00015   0.00049   1.93125
   A266       1.90991  -0.00002  -0.00040   0.00014  -0.00028   1.90963
   A267       1.89783   0.00000  -0.00007   0.00006  -0.00001   1.89782
   A268       1.91340   0.00000  -0.00003  -0.00023  -0.00026   1.91314
   A269       1.91067   0.00003  -0.00001   0.00001   0.00000   1.91067
   A270       2.63474   0.00001   0.00003  -0.00023  -0.00020   2.63453
   A271       1.72957  -0.00001  -0.00005   0.00027   0.00023   1.72979
   A272       1.92322   0.00001   0.00038  -0.00008   0.00029   1.92350
   A273       1.91594   0.00000  -0.00005   0.00004  -0.00001   1.91593
   A274       1.91429  -0.00001  -0.00005   0.00010   0.00008   1.91437
   A275       1.89462   0.00000  -0.00019  -0.00006  -0.00026   1.89436
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   A277       1.90525   0.00000  -0.00005   0.00003  -0.00004   1.90521
   A278       1.82475  -0.00007  -0.00190  -0.00062  -0.00253   1.82222
   A279       1.74310   0.00007   0.00164   0.00106   0.00270   1.74581
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   A281       2.13065   0.00000   0.00000  -0.00003  -0.00002   2.13063
   A282       1.96256   0.00004   0.00007   0.00005   0.00013   1.96269
   A283       2.12151  -0.00002   0.00016  -0.00004   0.00012   2.12163
   A284       2.11549   0.00000  -0.00027   0.00002  -0.00025   2.11524
   A285       2.04194   0.00001   0.00014   0.00002   0.00016   2.04210
   A286       2.70933  -0.00005  -0.00126  -0.00085  -0.00212   2.70720
   A287       1.65029   0.00005   0.00143   0.00085   0.00229   1.65258
   A288       1.92699   0.00000  -0.00038  -0.00011  -0.00050   1.92650
   A289       1.91471  -0.00003  -0.00004   0.00002  -0.00004   1.91466
   A290       1.91174   0.00002  -0.00016   0.00004  -0.00012   1.91162
   A291       1.89151  -0.00001   0.00057   0.00003   0.00063   1.89214
   A292       1.91196   0.00000   0.00007   0.00005   0.00013   1.91209
   A293       1.90672   0.00002  -0.00004  -0.00003  -0.00009   1.90662
   A294       1.36357  -0.00005  -0.00195  -0.00151  -0.00347   1.36011
   A295       1.14584   0.00002   0.00083   0.00056   0.00140   1.14724
   A296       1.93309  -0.00001  -0.00009   0.00011   0.00002   1.93310
   A297       1.90689  -0.00001  -0.00046   0.00010  -0.00034   1.90655
   A298       1.90171   0.00002   0.00005  -0.00004   0.00000   1.90171
   A299       1.90943   0.00003   0.00001   0.00002   0.00002   1.90946
   A300       1.89825  -0.00001   0.00014  -0.00003   0.00011   1.89837
   A301       1.91439  -0.00002   0.00036  -0.00016   0.00020   1.91459
   A302       1.81648  -0.00047  -0.01189  -0.00697  -0.01918   1.79731
   A303       1.64080   0.00037   0.01507   0.00742   0.02275   1.66355
   A304       2.19611  -0.00017   0.00033  -0.00009   0.00021   2.19632
   A305       2.12964  -0.00001   0.00035  -0.00096  -0.00037   2.12927
   A306       1.95711   0.00017  -0.00059   0.00108   0.00027   1.95739
   A307       2.13197   0.00005   0.00012  -0.00097  -0.00096   2.13101
   A308       2.12471  -0.00013  -0.00120  -0.00008  -0.00169   2.12302
   A309       2.02649   0.00008   0.00108   0.00104   0.00239   2.02888
   A310       1.63181  -0.00018  -0.00542  -0.00693  -0.01266   1.61915
   A311       2.72928   0.00015   0.00593   0.00670   0.01292   2.74219
   A312       1.90988  -0.00007   0.00077  -0.00021   0.00042   1.91030
   A313       1.91800   0.00000  -0.00065   0.00030  -0.00034   1.91766
   A314       1.91087   0.00002   0.00169   0.00048   0.00242   1.91328
   A315       1.91494   0.00003  -0.00105  -0.00007  -0.00112   1.91383
   A316       1.91845   0.00003  -0.00073  -0.00019  -0.00098   1.91747
   A317       1.89162  -0.00001  -0.00004  -0.00032  -0.00040   1.89122
   A318       1.58724  -0.00018  -0.00114   0.00743   0.00655   1.59380
   A319       1.91688  -0.00002   0.00055  -0.00117   0.00046   1.91734
   A320       1.91667  -0.00011   0.00221   0.00000   0.00401   1.92067
   A321       1.92158   0.00009  -0.00190   0.00165  -0.00133   1.92025
   A322       1.91003  -0.00015  -0.00218  -0.00031  -0.00375   1.90628
   A323       1.90871   0.00014   0.00031  -0.00002   0.00011   1.90882
   A324       1.88972   0.00006   0.00087  -0.00014   0.00045   1.89017
   A325       2.91350   0.00002   0.00072   0.00016   0.00088   2.91438
   A326       3.30719   0.00005   0.00135   0.00114   0.00259   3.30978
   A327       3.02431   0.00005   0.00129   0.00117   0.00254   3.02684
   A328       3.27670   0.00001  -0.00003   0.00003   0.00000   3.27670
   A329       3.26521  -0.00003  -0.00220  -0.00121  -0.00342   3.26179
   A330       3.27300  -0.00003  -0.00194  -0.00149  -0.00344   3.26956
   A331       3.49595  -0.00004  -0.00083   0.00741   0.00667   3.50262
   A332       3.21378  -0.00001  -0.00029   0.00022  -0.00008   3.21370
   A333       3.11433  -0.00001  -0.00073  -0.00034  -0.00107   3.11325
   A334       3.06564  -0.00001  -0.00059  -0.00036  -0.00095   3.06469
   A335       3.22809   0.00000  -0.00035   0.00014  -0.00021   3.22788
   A336       3.07327  -0.00001  -0.00025   0.00019  -0.00005   3.07322
   A337       3.10162   0.00000   0.00012  -0.00022  -0.00011   3.10152
   A338       3.03335  -0.00003  -0.00425   0.00056  -0.00467   3.02868
    D1        2.74443  -0.00002  -0.00065   0.00010  -0.00055   2.74388
    D2       -1.35000  -0.00002  -0.00281  -0.00059  -0.00339  -1.35339
    D3        2.72205  -0.00002   0.00012   0.00055   0.00067   2.72272
    D4       -1.37239  -0.00002  -0.00204  -0.00013  -0.00216  -1.37455
    D5        1.61849  -0.00001   0.00082   0.00046   0.00128   1.61977
    D6       -2.47595  -0.00001  -0.00134  -0.00022  -0.00155  -2.47749
    D7        1.77545  -0.00002   0.00043   0.00034   0.00078   1.77624
    D8       -2.31898  -0.00002  -0.00173  -0.00034  -0.00205  -2.32103
    D9        0.23654  -0.00002   0.00027   0.00060   0.00087   0.23740
   D10        2.42529  -0.00002  -0.00189  -0.00009  -0.00196   2.42332
   D11       -0.03056  -0.00002   0.00049   0.00044   0.00094  -0.02962
   D12        2.15818  -0.00002  -0.00167  -0.00024  -0.00189   2.15629
   D13       -0.49173  -0.00002   0.00041   0.00034   0.00075  -0.49098
   D14        1.69702  -0.00002  -0.00175  -0.00035  -0.00208   1.69493
   D15       -0.61552  -0.00001   0.00083   0.00046   0.00130  -0.61422
   D16        1.57323  -0.00001  -0.00133  -0.00022  -0.00154   1.57170
   D17        0.15261  -0.00002   0.00065   0.00032   0.00099   0.15360
   D18        2.34136  -0.00002  -0.00151  -0.00036  -0.00185   2.33952
   D19        0.10393  -0.00002   0.00079   0.00030   0.00111   0.10504
   D20        2.29268  -0.00002  -0.00136  -0.00039  -0.00172   2.29096
   D21        2.28602  -0.00001   0.00096   0.00043   0.00140   2.28742
   D22       -1.80842  -0.00001  -0.00120  -0.00025  -0.00144  -1.80985
   D23        2.03152   0.00000   0.00110   0.00052   0.00163   2.03314
   D24       -2.06292   0.00000  -0.00106  -0.00016  -0.00121  -2.06413
   D25        1.59414   0.00001   0.00106   0.00057   0.00164   1.59578
   D26       -2.50029   0.00001  -0.00110  -0.00012  -0.00120  -2.50149
   D27        1.28678   0.00001   0.00104   0.00057   0.00164   1.28842
   D28       -2.80765   0.00001  -0.00112  -0.00012  -0.00120  -2.80885
   D29        2.21830   0.00001   0.00195   0.00076   0.00271   2.22101
   D30       -1.87614   0.00001  -0.00021   0.00008  -0.00012  -1.87626
   D31       -1.98593   0.00001   0.00124   0.00214   0.00345  -1.98248
   D32        0.20282   0.00001  -0.00092   0.00145   0.00062   0.20343
   D33       -2.29677   0.00001   0.00169   0.00142   0.00320  -2.29358
   D34       -0.10802   0.00001  -0.00047   0.00074   0.00036  -0.10766
   D35       -2.68202  -0.00001   0.00121   0.00099   0.00219  -2.67983
   D36       -0.49327  -0.00001  -0.00094   0.00031  -0.00064  -0.49392
   D37       -2.96171  -0.00001   0.00138   0.00066   0.00206  -2.95965
   D38       -0.77296  -0.00001  -0.00078  -0.00002  -0.00077  -0.77374
   D39       -2.24450   0.00006   0.00247   0.00078   0.00353  -2.24096
   D40       -0.05575   0.00006   0.00031   0.00009   0.00070  -0.05505
   D41       -2.50680   0.00010   0.00454   0.00348   0.00736  -2.49945
   D42       -0.31805   0.00010   0.00238   0.00279   0.00452  -0.31353
   D43        1.33749  -0.00002  -0.00181  -0.00081  -0.00262   1.33488
   D44       -1.97416  -0.00002   0.00016  -0.00008   0.00008  -1.97408
   D45        2.48743  -0.00001  -0.00061  -0.00044  -0.00103   2.48640
   D46       -0.82423  -0.00001   0.00136   0.00028   0.00166  -0.82256
   D47        2.94995  -0.00002  -0.00067  -0.00047  -0.00112   2.94883
   D48       -0.36170  -0.00001   0.00130   0.00026   0.00158  -0.36012
   D49        2.83288   0.00002   0.00094  -0.00044   0.00049   2.83337
   D50       -0.47878   0.00003   0.00291   0.00028   0.00319  -0.47559
   D51        2.01991   0.00001   0.00086  -0.00019   0.00067   2.02058
   D52       -1.29174   0.00001   0.00283   0.00054   0.00337  -1.28837
   D53        1.15875  -0.00001  -0.00003  -0.00042  -0.00045   1.15831
   D54       -2.15290  -0.00001   0.00194   0.00031   0.00225  -2.15065
   D55        1.03953   0.00001   0.00009  -0.00035  -0.00025   1.03928
   D56       -2.27213   0.00001   0.00206   0.00038   0.00245  -2.26968
   D57        2.03126   0.00000   0.00007  -0.00054  -0.00045   2.03081
   D58       -1.28040   0.00000   0.00204   0.00019   0.00225  -1.27815
   D59        1.86174  -0.00001  -0.00022  -0.00060  -0.00080   1.86093
   D60       -1.44992  -0.00001   0.00175   0.00013   0.00190  -1.44802
   D61       -2.30816   0.00000  -0.00001  -0.00044  -0.00045  -2.30861
   D62        0.66337   0.00000   0.00196   0.00029   0.00225   0.66562
   D63       -2.42979   0.00000   0.00004  -0.00042  -0.00038  -2.43017
   D64        0.54174   0.00001   0.00201   0.00031   0.00232   0.54406
   D65       -2.83032   0.00002   0.00034  -0.00033   0.00003  -2.83029
   D66        0.14121   0.00002   0.00231   0.00040   0.00273   0.14394
   D67       -3.00344   0.00002   0.00022  -0.00048  -0.00023  -3.00367
   D68       -0.03191   0.00002   0.00219   0.00025   0.00246  -0.02945
   D69       -2.14368   0.00001   0.00022  -0.00032  -0.00009  -2.14377
   D70        0.82785   0.00001   0.00219   0.00041   0.00261   0.83046
   D71       -0.20280   0.00000  -0.00005   0.00002   0.00002  -0.20278
   D72        2.76873   0.00000   0.00192   0.00075   0.00272   2.77145
   D73       -0.60057   0.00000   0.00043  -0.00043   0.00006  -0.60050
   D74        2.37096   0.00000   0.00240   0.00030   0.00276   2.37372
   D75       -0.83789  -0.00001   0.00051   0.00017   0.00067  -0.83721
   D76        2.13364   0.00000   0.00248   0.00090   0.00337   2.13701
   D77       -1.15787  -0.00002  -0.00005  -0.00072  -0.00079  -1.15865
   D78        1.81366  -0.00002   0.00192   0.00001   0.00191   1.81557
   D79       -0.82262   0.00001  -0.00042  -0.00074  -0.00099  -0.82360
   D80        2.14891   0.00001   0.00155  -0.00001   0.00171   2.15063
   D81       -1.13339   0.00003   0.00024   0.00006  -0.00010  -1.13348
   D82        1.83814   0.00003   0.00221   0.00079   0.00260   1.84074
   D83       -1.50199   0.00001   0.00054   0.00020   0.00074  -1.50125
   D84       -2.59713  -0.00001  -0.00019   0.00016  -0.00002  -2.59715
   D85       -2.96028  -0.00002  -0.00008   0.00045   0.00037  -2.95991
   D86        0.70934   0.00001   0.00066   0.00027   0.00093   0.71027
   D87        0.29116   0.00000   0.00063   0.00026   0.00089   0.29206
   D88       -0.09074   0.00000   0.00070   0.00038   0.00108  -0.08966
   D89       -0.41876   0.00001   0.00059   0.00032   0.00090  -0.41786
   D90        0.17635   0.00000   0.00039   0.00006   0.00048   0.17683
   D91       -0.04879  -0.00001   0.00026   0.00003   0.00030  -0.04849
   D92        2.35793   0.00000   0.00052   0.00018   0.00068   2.35861
   D93        2.01343   0.00001   0.00056   0.00025   0.00080   2.01423
   D94        1.61525   0.00002   0.00080   0.00032   0.00111   1.61636
   D95        1.33105   0.00003   0.00086   0.00028   0.00116   1.33221
   D96        2.02296   0.00001   0.00075   0.00030   0.00103   2.02400
   D97       -2.05658   0.00002   0.00084   0.00152   0.00239  -2.05419
   D98       -2.53050   0.00001   0.00113   0.00027   0.00146  -2.52903
   D99       -2.77299  -0.00001   0.00088   0.00072   0.00157  -2.77142
   D100      -3.05390  -0.00003  -0.00012  -0.00048  -0.00064  -3.05454
   D101      -2.89019   0.00001  -0.00041  -0.00056  -0.00082  -2.89101
   D102       2.87801  -0.00002  -0.00114  -0.00133  -0.00272   2.87529
   D103      -2.86714   0.00002   0.00079  -0.00045   0.00034  -2.86680
   D104       1.22703   0.00002   0.00076  -0.00047   0.00030   1.22732
   D105       2.87432   0.00000  -0.00090  -0.00072  -0.00162   2.87270
   D106       0.68530   0.00000  -0.00093  -0.00074  -0.00166   0.68364
   D107       2.38611  -0.00002  -0.00146  -0.00048  -0.00193   2.38418
   D108       0.19709  -0.00002  -0.00149  -0.00050  -0.00197   0.19512
   D109       1.79500  -0.00001  -0.00097  -0.00023  -0.00125   1.79375
   D110      -0.39402  -0.00001  -0.00100  -0.00025  -0.00130  -0.39532
   D111       2.62980   0.00001  -0.00042  -0.00054  -0.00096   2.62884
   D112       0.44078   0.00001  -0.00045  -0.00056  -0.00101   0.43977
   D113       2.29935   0.00001  -0.00025  -0.00045  -0.00071   2.29865
   D114       0.11033   0.00001  -0.00028  -0.00047  -0.00075   0.10958
   D115      -1.61085   0.00002   0.00024   0.00009   0.00033  -1.61052
   D116       2.48332   0.00001   0.00021   0.00008   0.00028   2.48360
   D117      -1.77179   0.00000  -0.00028  -0.00025  -0.00053  -1.77233
   D118       2.32237   0.00000  -0.00030  -0.00027  -0.00058   2.32179
   D119      -2.73579   0.00002   0.00019  -0.00002   0.00017  -2.73562
   D120       1.35838   0.00002   0.00016  -0.00003   0.00012   1.35850
   D121      -2.71188   0.00002   0.00017  -0.00010   0.00006  -2.71182
   D122       1.38228   0.00002   0.00014  -0.00011   0.00002   1.38230
   D123       1.38595   0.00000  -0.00040  -0.00039  -0.00079   1.38515
   D124      -0.80307   0.00000  -0.00043  -0.00041  -0.00084  -0.80391
   D125       1.35143   0.00000  -0.00054  -0.00050  -0.00104   1.35039
   D126      -0.83759   0.00000  -0.00057  -0.00052  -0.00109  -0.83867
   D127       1.70663  -0.00001  -0.00089  -0.00066  -0.00156   1.70507
   D128      -0.48239  -0.00001  -0.00092  -0.00068  -0.00161  -0.48400
   D129       1.82625  -0.00001  -0.00061  -0.00049  -0.00111   1.82514
   D130      -0.36277  -0.00001  -0.00063  -0.00051  -0.00116  -0.36393
   D131       0.94868  -0.00001  -0.00075  -0.00070  -0.00145   0.94723
   D132      -1.24034  -0.00001  -0.00078  -0.00072  -0.00149  -1.24183
   D133      -0.87728   0.00001  -0.00025  -0.00090  -0.00125  -0.87854
   D134      -3.06630   0.00001  -0.00028  -0.00092  -0.00130  -3.06760
   D135      -0.42186   0.00000  -0.00088  -0.00070  -0.00167  -0.42353
   D136      -2.61088   0.00000  -0.00091  -0.00072  -0.00172  -2.61259
   D137      -0.04276   0.00002  -0.00069  -0.00110  -0.00172  -0.04448
   D138      -2.23178   0.00001  -0.00071  -0.00112  -0.00176  -2.23354
   D139       0.34889   0.00000  -0.00078  -0.00062  -0.00140   0.34749
   D140      -1.84013   0.00000  -0.00081  -0.00064  -0.00145  -1.84158
   D141      -0.26191  -0.00002  -0.00053  -0.00034  -0.00106  -0.26297
   D142      -2.45093  -0.00002  -0.00056  -0.00036  -0.00111  -2.45203
   D143       0.00710  -0.00005  -0.00155  -0.00182  -0.00299   0.00410
   D144      -2.18192  -0.00005  -0.00158  -0.00184  -0.00304  -2.18496
   D145      -2.48543   0.00000   0.00075   0.00037   0.00112  -2.48431
   D146      -2.71026  -0.00001  -0.00039   0.00011  -0.00028  -2.71055
   D147      -2.36357   0.00000  -0.00034   0.00012  -0.00021  -2.36379
   D148       3.03205  -0.00001  -0.00036   0.00006  -0.00031   3.03174
   D149       2.66423  -0.00001  -0.00053  -0.00005  -0.00059   2.66364
   D150       1.51374   0.00000   0.00035   0.00076   0.00110   1.51485
   D151       2.61263   0.00001   0.00019   0.00061   0.00075   2.61338
   D152       2.97703   0.00001   0.00022   0.00052   0.00072   2.97775
   D153       1.27775  -0.00002  -0.00064   0.00001  -0.00063   1.27712
   D154       1.30610  -0.00002  -0.00052   0.00009  -0.00044   1.30566
   D155       1.68450  -0.00002  -0.00078   0.00002  -0.00077   1.68374
   D156       1.74456  -0.00001  -0.00029   0.00031   0.00001   1.74457
   D157       0.94086  -0.00002  -0.00059   0.00002  -0.00057   0.94029
   D158      -1.00669   0.00001   0.00015   0.00080   0.00087  -1.00581
   D159      -0.66134   0.00000  -0.00032   0.00098   0.00063  -0.66071
   D160      -0.63558   0.00001  -0.00036  -0.00010  -0.00046  -0.63604
   D161      -0.35094   0.00005   0.00116   0.00151   0.00272  -0.34822
   D162      -0.29750   0.00001   0.00073   0.00072   0.00137  -0.29613
   D163      -0.00619  -0.00001   0.00028   0.00072   0.00129  -0.00490
   D164      -1.25671   0.00001   0.00111  -0.00046   0.00067  -1.25605
   D165       1.70117   0.00001   0.00049  -0.00026   0.00024   1.70141
   D166      -1.61428  -0.00001  -0.00014  -0.00069  -0.00083  -1.61511
   D167       1.34360  -0.00001  -0.00076  -0.00049  -0.00125   1.34235
   D168      -1.67807  -0.00001  -0.00039  -0.00064  -0.00103  -1.67911
   D169       1.27981  -0.00001  -0.00101  -0.00044  -0.00146   1.27835
   D170      -1.96281  -0.00002  -0.00046  -0.00026  -0.00075  -1.96356
   D171       0.99507  -0.00002  -0.00109  -0.00006  -0.00118   0.99390
   D172      -1.96814   0.00000   0.00003  -0.00067  -0.00065  -1.96879
   D173       0.98974   0.00000  -0.00060  -0.00047  -0.00107   0.98867
   D174      -2.26841   0.00000   0.00000  -0.00066  -0.00067  -2.26908
   D175       0.68947  -0.00001  -0.00062  -0.00046  -0.00109   0.68838
   D176       1.98248   0.00001   0.00067  -0.00012   0.00054   1.98302
   D177      -1.34282   0.00001   0.00004   0.00008   0.00012  -1.34271
   D178       0.83610   0.00001   0.00051  -0.00019   0.00029   0.83639
   D179      -2.48921   0.00001  -0.00011   0.00001  -0.00013  -2.48933
   D180       0.37183   0.00000   0.00010  -0.00038  -0.00031   0.37152
   D181      -2.95347   0.00000  -0.00053  -0.00018  -0.00073  -2.95421
   D182      -3.05847  -0.00001  -0.00005  -0.00059  -0.00067  -3.05914
   D183      -0.10058  -0.00001  -0.00068  -0.00039  -0.00109  -0.10168
   D184       2.95726   0.00000  -0.00009  -0.00059  -0.00069   2.95657
   D185      -0.36804  -0.00001  -0.00072  -0.00039  -0.00111  -0.36916
   D186       3.10038   0.00000  -0.00032  -0.00067  -0.00099   3.09938
   D187      -0.22493  -0.00001  -0.00094  -0.00047  -0.00141  -0.22634
   D188       2.99379   0.00001   0.00022  -0.00041  -0.00017   2.99363
   D189      -0.33151   0.00000  -0.00040  -0.00021  -0.00059  -0.33210
   D190       2.51640  -0.00001  -0.00019  -0.00075  -0.00094   2.51546
   D191      -0.80891  -0.00001  -0.00081  -0.00055  -0.00136  -0.81027
   D192       0.25945   0.00003   0.00066   0.00088   0.00156   0.26101
   D193      -3.06585   0.00003   0.00004   0.00108   0.00114  -3.06471
   D194       0.63780   0.00001  -0.00012   0.00064   0.00055   0.63835
   D195      -2.68751   0.00001  -0.00074   0.00084   0.00013  -2.68738
   D196       0.54122   0.00002  -0.00042  -0.00173  -0.00238   0.53885
   D197      -2.78408   0.00002  -0.00105  -0.00153  -0.00280  -2.78688
   D198       1.12208   0.00000   0.00081  -0.00018   0.00051   1.12258
   D199      -2.20323   0.00000   0.00019   0.00002   0.00009  -2.20314
   D200       1.48994  -0.00005  -0.00060  -0.00141  -0.00157   1.48836
   D201      -1.83537  -0.00005  -0.00122  -0.00121  -0.00199  -1.83736
   D202       1.65066   0.00001  -0.00154  -0.00041  -0.00195   1.64871
   D203      -0.56624   0.00000  -0.00150  -0.00061  -0.00211  -0.56835
   D204       1.68760   0.00001  -0.00087  -0.00028  -0.00115   1.68645
   D205      -0.52930   0.00001  -0.00083  -0.00048  -0.00131  -0.53061
   D206       1.33190   0.00001  -0.00087  -0.00022  -0.00110   1.33080
   D207      -0.88500   0.00001  -0.00083  -0.00042  -0.00126  -0.88626
   D208       1.17446   0.00001  -0.00112  -0.00048  -0.00160   1.17286
   D209      -1.04244   0.00001  -0.00108  -0.00067  -0.00176  -1.04420
   D210       2.10452   0.00001  -0.00086  -0.00030  -0.00116   2.10336
   D211      -0.11238   0.00001  -0.00082  -0.00050  -0.00132  -0.11370
   D212       2.21648   0.00002  -0.00060  -0.00022  -0.00083   2.21566
   D213      -0.00042   0.00002  -0.00056  -0.00042  -0.00099  -0.00140
   D214      -2.23396   0.00001  -0.00111  -0.00055  -0.00165  -2.23561
   D215       1.83232   0.00001  -0.00107  -0.00075  -0.00181   1.83051
   D216      -2.42378   0.00001  -0.00088  -0.00037  -0.00123  -2.42501
   D217       1.64250   0.00001  -0.00084  -0.00057  -0.00139   1.64111
   D218      -2.07647   0.00002  -0.00044  -0.00005  -0.00049  -2.07696
   D219       1.98981   0.00002  -0.00041  -0.00025  -0.00065   1.98916
   D220      -2.27455   0.00001  -0.00079  -0.00019  -0.00098  -2.27553
   D221       1.79173   0.00001  -0.00075  -0.00039  -0.00114   1.79059
   D222      -2.90344   0.00001  -0.00086  -0.00036  -0.00118  -2.90462
   D223       1.16284   0.00001  -0.00083  -0.00056  -0.00134   1.16151
   D224       3.05070   0.00001  -0.00089  -0.00034  -0.00119   3.04950
   D225       0.83380   0.00000  -0.00085  -0.00054  -0.00135   0.83244
   D226      -2.70925   0.00001  -0.00040  -0.00019  -0.00057  -2.70982
   D227       1.35703   0.00001  -0.00036  -0.00039  -0.00073   1.35630
   D228      -2.64842   0.00000  -0.00105  -0.00051  -0.00155  -2.64997
   D229       1.41787   0.00000  -0.00101  -0.00071  -0.00171   1.41616
   D230      -1.55899   0.00002  -0.00047  -0.00006  -0.00053  -1.55952
   D231       2.50730   0.00002  -0.00043  -0.00026  -0.00069   2.50661
   D232       0.07367  -0.00003  -0.00171  -0.00204  -0.00367   0.07000
   D233      -2.14323  -0.00003  -0.00167  -0.00224  -0.00383  -2.14706
   D234      -0.11989  -0.00001  -0.00121  -0.00169  -0.00291  -0.12280
   D235      -2.33679  -0.00001  -0.00117  -0.00188  -0.00307  -2.33986
   D236       0.09593   0.00000  -0.00083  -0.00027  -0.00109   0.09484
   D237      -2.12097   0.00000  -0.00079  -0.00047  -0.00125  -2.12222
   D238       0.04182  -0.00005  -0.00255  -0.00175  -0.00437   0.03745
   D239      -2.17508  -0.00005  -0.00252  -0.00195  -0.00453  -2.17962
   D240      -0.53797  -0.00004  -0.00256  -0.00101  -0.00362  -0.54159
   D241      -2.75487  -0.00004  -0.00253  -0.00121  -0.00378  -2.75865
   D242      -0.72915  -0.00004  -0.00272  -0.00233  -0.00516  -0.73430
   D243      -2.94605  -0.00004  -0.00268  -0.00252  -0.00532  -2.95137
   D244      -2.89820   0.00001  -0.00216  -0.00066  -0.00283  -2.90103
   D245       0.01429   0.00001   0.00047   0.00016   0.00062   0.01491
   D246      -3.11565   0.00001  -0.00227  -0.00065  -0.00292  -3.11856
   D247      -0.20316   0.00002   0.00036   0.00017   0.00053  -0.20263
   D248       2.76190   0.00000  -0.00239  -0.00057  -0.00296   2.75894
   D249      -0.60879   0.00001   0.00024   0.00024   0.00048  -0.60831
   D250       2.52595   0.00001  -0.00248  -0.00063  -0.00313   2.52283
   D251      -0.84474   0.00001   0.00015   0.00018   0.00032  -0.84442
   D252      -2.91525   0.00002  -0.00201  -0.00059  -0.00260  -2.91785
   D253      -0.00276   0.00002   0.00062   0.00023   0.00084  -0.00192
   D254      -3.08924   0.00003  -0.00161  -0.00045  -0.00206  -3.09130
   D255      -0.17675   0.00004   0.00102   0.00036   0.00138  -0.17537
   D256      -0.66083   0.00001  -0.00248  -0.00085  -0.00333  -0.66416
   D257       2.25166   0.00001   0.00015  -0.00004   0.00011   2.25177
   D258      -0.92509   0.00001  -0.00220  -0.00065  -0.00284  -0.92793
   D259       1.98740   0.00001   0.00043   0.00016   0.00060   1.98800
   D260      -0.78139   0.00002  -0.00173  -0.00035  -0.00207  -0.78345
   D261       2.13110   0.00002   0.00090   0.00047   0.00138   2.13248
   D262      -0.99674   0.00001  -0.00192  -0.00045  -0.00237  -0.99911
   D263       1.91575   0.00002   0.00071   0.00036   0.00108   1.91683
   D264      -1.33213   0.00001  -0.00220  -0.00064  -0.00281  -1.33494
   D265       1.58036   0.00001   0.00043   0.00017   0.00063   1.58099
   D266      -1.57987   0.00001  -0.00210  -0.00058  -0.00266  -1.58253
   D267       1.33262   0.00001   0.00053   0.00024   0.00078   1.33340
   D268       1.97693   0.00001  -0.00182  -0.00051  -0.00233   1.97460
   D269      -1.39376   0.00001   0.00081   0.00030   0.00111  -1.39265
   D270       0.85994   0.00000  -0.00201  -0.00066  -0.00268   0.85726
   D271      -2.51076   0.00000   0.00062   0.00015   0.00076  -2.50999
   D272       1.27839  -0.00006  -0.00414  -0.00476  -0.00875   1.26964
   D273      -2.09230  -0.00006  -0.00151  -0.00395  -0.00531  -2.09761
   D274       1.25527  -0.00001  -0.00299  -0.00254  -0.00559   1.24968
   D275      -2.11542  -0.00001  -0.00036  -0.00172  -0.00214  -2.11757
   D276       1.62359   0.00000  -0.00230  -0.00072  -0.00304   1.62055
   D277      -1.74710   0.00000   0.00033   0.00009   0.00041  -1.74670
   D278       1.64390  -0.00004  -0.00365  -0.00182  -0.00555   1.63835
   D279      -1.72680  -0.00004  -0.00102  -0.00101  -0.00211  -1.72890
   D280       0.86120  -0.00006  -0.00401  -0.00124  -0.00541   0.85578
   D281      -2.50950  -0.00005  -0.00137  -0.00043  -0.00197  -2.51147
   D282       0.83903  -0.00006  -0.00461  -0.00332  -0.00778   0.83125
   D283      -2.53166  -0.00006  -0.00197  -0.00250  -0.00434  -2.53600
   D284       1.62642   0.00000  -0.00150   0.00027  -0.00123   1.62519
   D285      -2.59330   0.00000  -0.00024   0.00074   0.00050  -2.59279
   D286       1.63785   0.00001  -0.00041   0.00053   0.00012   1.63797
   D287      -2.58187   0.00002   0.00084   0.00100   0.00186  -2.58001
   D288       1.29029   0.00001  -0.00027   0.00063   0.00037   1.29066
   D289      -2.92943   0.00001   0.00099   0.00111   0.00210  -2.92732
   D290       1.21375   0.00001  -0.00034   0.00043   0.00008   1.21383
   D291      -3.00597   0.00002   0.00091   0.00091   0.00182  -3.00415
   D292       2.01652   0.00001  -0.00029   0.00055   0.00027   2.01679
   D293      -2.20319   0.00002   0.00097   0.00103   0.00200  -2.20119
   D294       1.99935   0.00002   0.00002   0.00065   0.00068   2.00003
   D295      -2.22037   0.00002   0.00128   0.00113   0.00241  -2.21795
   D296      -2.31765   0.00000  -0.00068   0.00024  -0.00042  -2.31807
   D297      -0.25418   0.00001   0.00058   0.00072   0.00131  -0.25287
   D298      -2.31349   0.00001  -0.00034   0.00052   0.00019  -2.31330
   D299      -0.25002   0.00002   0.00091   0.00100   0.00192  -0.24810
   D300      -1.93412   0.00002  -0.00004   0.00073   0.00070  -1.93342
   D301       0.12935   0.00002   0.00122   0.00120   0.00243   0.13178
   D302      -1.88824   0.00001  -0.00014   0.00067   0.00053  -1.88771
   D303       0.17523   0.00002   0.00112   0.00114   0.00226   0.17749
   D304      -2.66817   0.00002  -0.00014   0.00065   0.00054  -2.66763
   D305      -0.60470   0.00002   0.00111   0.00113   0.00227  -0.60243
   D306      -2.81545   0.00002   0.00003   0.00076   0.00081  -2.81464
   D307      -0.75198   0.00003   0.00128   0.00124   0.00254  -0.74944
   D308       1.52245   0.00002   0.00003   0.00078   0.00082   1.52327
   D309      -2.69726   0.00002   0.00129   0.00126   0.00255  -2.69471
   D310       2.62235  -0.00001  -0.00017   0.00049   0.00032   2.62268
   D311      -1.59736  -0.00001   0.00109   0.00096   0.00206  -1.59530
   D312       3.00931  -0.00002  -0.00075   0.00023  -0.00054   3.00877
   D313      -1.21040  -0.00001   0.00051   0.00071   0.00119  -1.20921
   D314      -0.30246  -0.00003  -0.00105  -0.00174  -0.00279  -0.30525
   D315       1.76102  -0.00003   0.00021  -0.00126  -0.00106   1.75996
   D316      -0.20986  -0.00001  -0.00093  -0.00093  -0.00191  -0.21177
   D317       1.85361  -0.00001   0.00032  -0.00045  -0.00018   1.85343
   D318       0.18136   0.00001  -0.00046   0.00024  -0.00020   0.18116
   D319       2.24483   0.00001   0.00080   0.00072   0.00153   2.24636
   D320       0.34413  -0.00002  -0.00151  -0.00038  -0.00194   0.34219
   D321       2.40760  -0.00002  -0.00025   0.00010  -0.00021   2.40740
   D322      -0.51803  -0.00006  -0.00206  -0.00007  -0.00230  -0.52033
   D323       1.54544  -0.00005  -0.00081   0.00041  -0.00057   1.54487
   D324      -0.54443  -0.00008  -0.00328  -0.00271  -0.00582  -0.55025
   D325       1.51905  -0.00008  -0.00202  -0.00223  -0.00409   1.51496
   D326      -0.09571  -0.00001   0.00359   0.00306   0.00673  -0.08899
   D327       2.07618  -0.00001   0.00627   0.00286   0.00918   2.08536
   D328       0.24339  -0.00001   0.00426   0.00292   0.00722   0.25061
   D329       2.41528  -0.00001   0.00694   0.00273   0.00968   2.42495
   D330       0.59914   0.00000   0.00452   0.00304   0.00760   0.60673
   D331       2.77103   0.00000   0.00720   0.00285   0.01005   2.78108
   D332       0.88441   0.00000   0.00464   0.00295   0.00760   0.89201
   D333       3.05630   0.00001   0.00732   0.00275   0.01005   3.06635
   D334       0.25794  -0.00002   0.00390   0.00233   0.00627   0.26421
   D335       2.42983  -0.00002   0.00658   0.00214   0.00873   2.43856
   D336       0.60941  -0.00001   0.00399   0.00262   0.00657   0.61598
   D337       2.78130  -0.00001   0.00667   0.00242   0.00902   2.79032
   D338      -2.48869  -0.00001   0.00405   0.00326   0.00738  -2.48131
   D339      -0.31680  -0.00001   0.00673   0.00307   0.00983  -0.30696
   D340      -2.07976  -0.00001   0.00398   0.00280   0.00678  -2.07298
   D341       0.09213  -0.00001   0.00666   0.00261   0.00923   0.10136
   D342      -2.03480  -0.00001   0.00391   0.00280   0.00669  -2.02811
   D343       0.13709  -0.00001   0.00659   0.00261   0.00914   0.14623
   D344      -1.75290   0.00000   0.00430   0.00312   0.00738  -1.74552
   D345       0.41900   0.00000   0.00698   0.00292   0.00983   0.42882
   D346      -1.67347  -0.00003   0.00388   0.00225   0.00607  -1.66740
   D347       0.49842  -0.00002   0.00656   0.00205   0.00852   0.50694
   D348      -1.35647  -0.00002   0.00381   0.00207   0.00585  -1.35062
   D349       0.81542  -0.00002   0.00649   0.00188   0.00831   0.82373
   D350       1.63525   0.00002   0.00461   0.00375   0.00831   1.64356
   D351      -2.47605   0.00002   0.00729   0.00356   0.01076  -2.46528
   D352       2.01514   0.00002   0.00487   0.00444   0.00927   2.02441
   D353      -2.09615   0.00002   0.00755   0.00425   0.01172  -2.08443
   D354       2.10623   0.00005   0.00599   0.00661   0.01245   2.11869
   D355      -2.00506   0.00005   0.00867   0.00641   0.01491  -1.99015
   D356       2.72999   0.00001   0.00441   0.00741   0.01211   2.74210
   D357      -1.38130   0.00001   0.00709   0.00722   0.01456  -1.36674
   D358       2.39504   0.00001   0.00441   0.00386   0.00829   2.40334
   D359      -1.71625   0.00001   0.00709   0.00367   0.01074  -1.70550
   D360       1.60192  -0.00003   0.00329   0.00113   0.00448   1.60640
   D361      -2.50937  -0.00003   0.00597   0.00093   0.00693  -2.50244
   D362       1.66774   0.00003   0.00545   0.00342   0.00900   1.67674
   D363      -2.44355   0.00004   0.00813   0.00323   0.01145  -2.43210
   D364       2.71448   0.00005   0.00565   0.00135   0.00728   2.72176
   D365      -1.39681   0.00006   0.00833   0.00115   0.00973  -1.38708
   D366       2.63192   0.00007   0.00662   0.00487   0.01120   2.64312
   D367      -1.47938   0.00007   0.00930   0.00468   0.01365  -1.46572
   D368       0.04223  -0.00001  -0.00362  -0.00021  -0.00385   0.03838
   D369      -2.91565  -0.00001   0.00491   0.00491   0.00981  -2.90584
   D370       0.43042   0.00000  -0.00238   0.00007  -0.00233   0.42808
   D371      -2.52746   0.00001   0.00615   0.00518   0.01132  -2.51614
   D372       0.59609   0.00001  -0.00198   0.00027  -0.00173   0.59436
   D373      -2.36179   0.00001   0.00656   0.00538   0.01193  -2.34986
   D374       0.88256   0.00001  -0.00185   0.00008  -0.00180   0.88076
   D375      -2.07532   0.00002   0.00668   0.00519   0.01186  -2.06346
   D376       0.72005   0.00000  -0.00272  -0.00015  -0.00287   0.71718
   D377      -2.23783   0.00001   0.00581   0.00496   0.01079  -2.22705
   D378       1.04309   0.00000  -0.00266  -0.00010  -0.00277   1.04032
   D379      -1.91479   0.00001   0.00587   0.00501   0.01089  -1.90391
   D380      -2.86528  -0.00001  -0.00255   0.00029  -0.00235  -2.86763
   D381       0.46002   0.00000   0.00598   0.00540   0.01131   0.47133
   D382      -2.30094  -0.00001  -0.00236   0.00053  -0.00187  -2.30281
   D383       1.02436   0.00000   0.00617   0.00564   0.01179   1.03615
   D384      -1.98216  -0.00001  -0.00277  -0.00006  -0.00283  -1.98499
   D385       1.34315  -0.00001   0.00577   0.00505   0.01082   1.35397
   D386      -1.62479  -0.00001  -0.00257  -0.00008  -0.00264  -1.62743
   D387       1.70052   0.00000   0.00596   0.00503   0.01101   1.71153
   D388      -1.75794  -0.00002  -0.00217   0.00104  -0.00093  -1.75887
   D389       1.56736  -0.00002   0.00637   0.00615   0.01273   1.58009
   D390      -0.97042  -0.00002  -0.00312  -0.00060  -0.00368  -0.97410
   D391       2.35489  -0.00002   0.00541   0.00451   0.00997   2.36486
   D392       1.78568   0.00000  -0.00252  -0.00004  -0.00256   1.78312
   D393      -1.17220   0.00001   0.00601   0.00507   0.01110  -1.16111
   D394       2.08127   0.00000  -0.00251  -0.00009  -0.00260   2.07867
   D395      -0.87661   0.00001   0.00603   0.00502   0.01105  -0.86556
   D396       2.01549   0.00000  -0.00228   0.00002  -0.00226   2.01323
   D397      -0.94239   0.00001   0.00625   0.00513   0.01140  -0.93099
   D398       2.19945  -0.00001  -0.00284  -0.00018  -0.00304   2.19641
   D399      -0.75843   0.00000   0.00569   0.00493   0.01061  -0.74782
   D400       2.48867   0.00001  -0.00251  -0.00001  -0.00254   2.48613
   D401      -0.46921   0.00001   0.00602   0.00510   0.01111  -0.45810
   D402      -1.38701  -0.00004  -0.00363  -0.00246  -0.00609  -1.39309
   D403       1.93830  -0.00003   0.00490   0.00265   0.00757   1.94587
   D404      -2.52277   0.00003  -0.00346  -0.00111  -0.00426  -2.52703
   D405       0.80254   0.00004   0.00507   0.00401   0.00939   0.81193
   D406      -2.93430   0.00008  -0.00112   0.00144  -0.00028  -2.93458
   D407       0.39101   0.00009   0.00741   0.00655   0.01337   0.40438
   D408       1.81546  -0.00005  -0.00064  -0.00260  -0.00356   1.81190
   D409       2.29683  -0.00002   0.00103  -0.00212  -0.00139   2.29544
   D410       2.51228   0.00000   0.00142  -0.00217  -0.00095   2.51132
   D411       2.76201   0.00001   0.00142  -0.00242  -0.00115   2.76086
   D412       2.70923  -0.00001   0.00165  -0.00167  -0.00029   2.70894
   D413      -3.10359   0.00004   0.00241  -0.00155   0.00074  -3.10285
   D414      -0.84940   0.00000   0.00069  -0.00245  -0.00188  -0.85128
   D415      -0.47070   0.00000   0.00065  -0.00245  -0.00192  -0.47262
   D416      -0.15585   0.00000   0.00075  -0.00245  -0.00185  -0.15770
   D417       0.15315   0.00000   0.00083  -0.00244  -0.00175   0.15139
   D418      -0.33992   0.00000   0.00052  -0.00248  -0.00204  -0.34196
   D419      -0.01765  -0.00001   0.00001  -0.00272  -0.00281  -0.02045
   D420      -2.65067   0.00000   0.00102  -0.00227  -0.00139  -2.65206
   D421      -2.27039   0.00000   0.00103  -0.00234  -0.00145  -2.27184
   D422      -2.04093   0.00001   0.00163  -0.00214  -0.00059  -2.04152
   D423      -1.72244   0.00001   0.00122  -0.00230  -0.00117  -1.72361
   D424      -2.04007  -0.00002   0.00028  -0.00253  -0.00246  -2.04252
   D425       1.41252   0.00002   0.00159  -0.00490  -0.00325   1.40927
   D426       2.53407   0.00003   0.00000  -0.00348  -0.00337   2.53070
   D427       2.93197   0.00004   0.00103  -0.00173  -0.00062   2.93135
   D428      -3.10089   0.00003   0.00150   0.00101   0.00252  -3.09837
   D429       0.02528  -0.00002  -0.00749  -0.00118  -0.00867   0.01661
   D430       0.02217  -0.00011  -0.00052   0.00043  -0.00010   0.02208
   D431      -3.13485  -0.00016  -0.00950  -0.00177  -0.01129   3.13705
   D432       0.03219  -0.00006  -0.01015  -0.00317  -0.01332   0.01886
   D433       2.12510  -0.00004  -0.00945  -0.00300  -0.01244   2.11267
   D434      -2.07309  -0.00004  -0.00898  -0.00300  -0.01199  -2.08508
   D435      -3.09468   0.00000  -0.00158  -0.00108  -0.00265  -3.09733
   D436      -1.00176   0.00001  -0.00088  -0.00091  -0.00177  -1.00353
   D437       1.08322   0.00001  -0.00041  -0.00090  -0.00131   1.08191
   D438      -2.39992   0.00005   0.00841   0.00241   0.01083  -2.38909
   D439      -0.30931   0.00004   0.00800   0.00228   0.01029  -0.29902
   D440       1.79755   0.00004   0.00826   0.00236   0.01062   1.80817
   D441       0.72696   0.00000  -0.00015   0.00031   0.00016   0.72713
   D442       2.81757  -0.00002  -0.00056   0.00018  -0.00037   2.81720
   D443      -1.35875  -0.00001  -0.00031   0.00026  -0.00005  -1.35879
   D444      -0.01367   0.00002   0.00149   0.00027   0.00176  -0.01191
   D445       3.11744   0.00001   0.00045   0.00016   0.00062   3.11807
   D446      -3.13418   0.00002   0.00157   0.00023   0.00180  -3.13238
   D447      -0.00306   0.00001   0.00053   0.00013   0.00066  -0.00240
   D448       2.42782   0.00002   0.00114   0.00107   0.00220   2.43002
   D449      -1.77027   0.00001   0.00137   0.00114   0.00251  -1.76776
   D450       0.33625   0.00005   0.00131   0.00135   0.00264   0.33890
   D451      -0.70380   0.00002   0.00213   0.00117   0.00328  -0.70052
   D452       1.38129   0.00002   0.00236   0.00125   0.00360   1.38489
   D453      -2.79537   0.00006   0.00230   0.00145   0.00373  -2.79164
   D454       2.07726   0.00000  -0.00002   0.00009   0.00007   2.07732
   D455      -2.12017   0.00001  -0.00005  -0.00001  -0.00008  -2.12025
   D456      -0.02686   0.00000  -0.00017   0.00011  -0.00008  -0.02694
   D457      -1.07431  -0.00001  -0.00101  -0.00001  -0.00102  -1.07533
   D458       1.01145   0.00000  -0.00104  -0.00011  -0.00117   1.01028
   D459       3.10475  -0.00001  -0.00117   0.00001  -0.00117   3.10359
   D460      -3.06633  -0.00005  -0.00117  -0.00024  -0.00141  -3.06773
   D461      -0.02657  -0.00004  -0.00080  -0.00023  -0.00103  -0.02760
   D462       0.08961  -0.00004  -0.00101  -0.00034  -0.00134   0.08827
   D463       3.12937  -0.00003  -0.00064  -0.00032  -0.00096   3.12841
   D464       1.91016   0.00003   0.00093   0.00014   0.00107   1.91124
   D465      -2.28953   0.00001   0.00136   0.00012   0.00151  -2.28801
   D466      -0.19676   0.00002   0.00118   0.00012   0.00130  -0.19546
   D467      -1.13369   0.00003   0.00059   0.00013   0.00073  -1.13296
   D468       0.94980   0.00001   0.00103   0.00011   0.00117   0.95097
   D469       3.04257   0.00002   0.00085   0.00010   0.00096   3.04353
   D470      -1.63344   0.00001   0.00089   0.00124   0.00213  -1.63131
   D471       0.47107   0.00003   0.00055   0.00140   0.00194   0.47301
   D472       2.56238   0.00002   0.00074   0.00124   0.00198   2.56436
   D473       1.41078   0.00001   0.00124   0.00125   0.00249   1.41327
   D474      -2.76790   0.00003   0.00090   0.00141   0.00231  -2.76559
   D475      -0.67659   0.00002   0.00110   0.00125   0.00234  -0.67425
   D476      -0.02162   0.00038   0.00743   0.00172   0.00914  -0.01248
   D477       3.12636   0.00048   0.02637   0.00294   0.02899  -3.12784
   D478       3.09309   0.00026   0.01117   0.00291   0.01417   3.10726
   D479      -0.04212   0.00036   0.03010   0.00413   0.03403  -0.00809
   D480      -0.08356  -0.00004  -0.00035  -0.00177  -0.00203  -0.08559
   D481       2.02021  -0.00004  -0.00156  -0.00179  -0.00335   2.01685
   D482      -2.18723  -0.00004  -0.00097  -0.00171  -0.00258  -2.18981
   D483       3.05198  -0.00013  -0.01829  -0.00293  -0.02089   3.03109
   D484      -1.12744  -0.00014  -0.01951  -0.00296  -0.02221  -1.14965
   D485       0.94832  -0.00014  -0.01891  -0.00287  -0.02144   0.92688
   D486       0.09264   0.00020  -0.00843  -0.00671  -0.01495   0.07769
   D487       2.19392  -0.00007  -0.00925  -0.00783  -0.01677   2.17716
   D488      -2.01010  -0.00002  -0.00802  -0.00698  -0.01455  -2.02465
   D489      -3.04292   0.00029   0.00942  -0.00555   0.00381  -3.03911
   D490      -0.94165   0.00002   0.00860  -0.00667   0.00200  -0.93965
   D491       1.13752   0.00008   0.00983  -0.00582   0.00421   1.14173
         Item               Value     Threshold  Converged?
 Maximum Force            0.000476     0.000450     NO 
 RMS     Force            0.000049     0.000300     YES
 Maximum Displacement     0.040290     0.001800     NO 
 RMS     Displacement     0.004075     0.001200     NO 
 Predicted change in Energy=-2.890083D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:38:31 2016, MaxMem=  2952790016 cpu:         5.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.884110   -0.645627    1.711985
      2          6           0       -2.183679    0.973033   -1.423263
      3          8           0       -2.611983   -0.004297   -2.060137
      4          7           0       -0.928137    1.096046   -0.910383
      5          1           0       -2.821844    1.849922   -1.194645
      6          6           0       -0.529807    2.266145   -0.126004
      7          1           0       -1.383101    2.951127   -0.028802
      8          1           0       -0.202828    1.946661    0.876829
      9          1           0        0.306945    2.788225   -0.618457
     10          6           0        0.079389    0.048139   -1.089341
     11          1           0        0.614040   -0.107735   -0.139948
     12          1           0       -0.416595   -0.884967   -1.387151
     13          1           0        0.810550    0.340885   -1.861174
     14          6           0       -1.965196   -4.078546    2.633481
     15          8           0       -2.140891   -3.933679    3.855293
     16          7           0       -2.874739   -3.786742    1.664292
     17          1           0       -1.008797   -4.452278    2.217508
     18          6           0       -4.204803   -3.266502    1.990175
     19          1           0       -4.467065   -2.477786    1.267211
     20          1           0       -4.960878   -4.067104    1.930809
     21          1           0       -4.194232   -2.847558    3.005000
     22          6           0       -2.568987   -3.963008    0.244686
     23          1           0       -3.261078   -4.693055   -0.206115
     24          1           0       -2.681007   -3.001402   -0.283270
     25          1           0       -1.535706   -4.319226    0.130006
     26          6           0        1.513552    0.355654    2.625054
     27          8           0        1.358965    1.368636    3.327901
     28          7           0        1.134603   -0.906583    2.964869
     29          1           0        1.977637    0.402046    1.620083
     30          6           0        1.440163   -2.054224    2.110094
     31          1           0        2.206974   -2.691360    2.582069
     32          1           0        0.531085   -2.657582    1.959559
     33          1           0        1.804952   -1.699990    1.136264
     34          6           0        0.514453   -1.189430    4.261594
     35          1           0        1.274971   -1.494791    5.000555
     36          1           0       -0.001214   -0.289357    4.619797
     37          1           0       -0.209888   -2.008150    4.140310
     38          6           0       -4.448345    1.506391    2.796021
     39          8           0       -4.619985    2.251013    1.817090
     40          7           0       -3.392524    1.548738    3.654269
     41          1           0       -5.161926    0.695983    3.050432
     42          6           0       -2.299191    2.507170    3.494734
     43          1           0       -2.442934    3.074041    2.567138
     44          1           0       -2.279126    3.199304    4.353091
     45          1           0       -1.338628    1.969951    3.459860
     46          6           0       -3.274071    0.611975    4.772593
     47          1           0       -4.091136   -0.122120    4.732810
     48          1           0       -2.309391    0.083742    4.721874
     49          1           0       -3.319689    1.158402    5.729249
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.541127   0.000000
     3  O    3.894869   1.242669   0.000000
     4  N    3.290004   1.361823   2.316900   0.000000
     5  H    3.944060   1.108357   2.057000   2.057975   0.000000
     6  C    3.700102   2.467856   3.637476   1.463916   2.562942
     7  H    4.027157   2.549177   3.790911   2.103688   2.154489
     8  H    3.200649   3.187812   4.270367   2.108020   3.340600
     9  H    4.692870   3.185255   4.289145   2.115212   3.316885
    10  C    3.490568   2.467470   2.861586   1.464665   3.416821
    11  H    3.155905   3.262236   3.755668   2.102610   4.092689
    12  H    3.437372   2.564381   2.459312   2.100808   3.647177
    13  H    4.582779   3.091404   3.445644   2.120684   3.989453
    14  C    3.555370   6.482542   6.248830   6.356954   7.108806
    15  O    3.933318   7.206997   7.117181   7.034243   7.708152
    16  N    3.293967   5.715419   5.314818   5.853189   6.320467
    17  H    3.938568   6.638491   6.375969   6.369781   7.392405
    18  C    3.511693   5.806045   5.439125   6.179126   6.183320
    19  H    3.197856   4.935651   4.542105   5.480712   5.243715
    20  H    4.606613   6.660752   6.160467   7.140973   7.025321
    21  H    3.443407   6.184558   6.020237   6.445899   6.448782
    22  C    3.691482   5.224463   4.580988   5.442481   5.993811
    23  H    4.685810   5.894640   5.083617   6.281106   6.631792
    24  H    3.188379   4.164499   3.484919   4.500545   4.938197
    25  H    4.014893   5.553424   4.957187   5.547676   6.439506
    26  C    3.657919   5.517205   6.253049   4.359971   5.968132
    27  O    4.145598   5.939729   6.832593   4.823712   6.177720
    28  N    3.278788   5.813747   6.332591   4.825246   6.368152
    29  H    4.002394   5.186958   5.896927   3.915153   5.749266
    30  C    3.632276   5.897552   6.165461   4.965514   6.657955
    31  H    4.656076   6.981998   7.210598   6.030803   7.757308
    32  H    3.153160   5.656393   5.751238   4.945262   6.442726
    33  H    3.879731   5.441085   5.709787   4.413203   6.280307
    34  C    3.542504   6.653853   7.151463   5.835565   7.080896
    35  H    4.638488   7.701809   8.196545   6.819481   8.145644
    36  H    3.482470   6.547927   7.177666   5.775935   6.807364
    37  H    3.249038   6.613368   6.944856   5.971718   7.082992
    38  C    3.518753   4.818251   5.407095   5.128127   4.323070
    39  O    3.985798   4.250730   4.914406   4.733160   3.530543
    40  N    3.295910   5.251103   5.972906   5.207129   4.891662
    41  H    3.786217   5.381511   5.754174   5.811461   4.982794
    42  C    3.645630   5.153020   6.104252   4.824533   4.763970
    43  H    3.857396   4.517161   5.560253   4.277876   3.974047
    44  H    4.681343   6.191257   7.176583   5.826923   5.735220
    45  H    3.192784   5.054983   5.999121   4.475628   4.886590
    46  C    3.588994   6.301424   6.892340   6.167167   6.111052
    47  H    3.777619   6.537200   6.953122   6.582866   6.374542
    48  H    3.126064   6.210423   6.789329   5.886845   6.195741
    49  H    4.631827   7.244537   7.907417   7.057487   6.976128
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098526   0.000000
     8  H    1.102115   1.795039   0.000000
     9  H    1.102376   1.797356   1.789966   0.000000
    10  C    2.493730   3.419205   2.747700   2.789550   0.000000
    11  H    2.635125   3.654800   2.433444   2.951248   1.100680
    12  H    3.396000   4.182686   3.631724   3.821877   1.097897
    13  H    2.917875   3.870795   3.331982   2.790598   1.102734
    14  C    7.066130   7.539422   6.518810   7.930339   5.921930
    15  O    7.542157   7.941095   6.870643   8.437437   6.725617
    16  N    6.733595   7.105662   6.374254   7.652728   5.569172
    17  H    7.131527   7.745735   6.587369   7.886619   5.689741
    18  C    6.970939   7.120195   6.665764   7.988777   6.230936
    19  H    6.320438   6.376800   6.157260   7.353761   5.709981
    20  H    7.998432   8.117643   7.740496   9.013560   7.173620
    21  H    7.027173   7.122581   6.591279   8.071685   6.588818
    22  C    6.564908   7.020427   6.397070   7.388854   4.988268
    23  H    7.476411   7.873484   7.389958   8.298817   5.866662
    24  H    5.692051   6.097698   5.654249   6.523803   4.191568
    25  H    6.666669   7.273688   6.449468   7.380476   4.813440
    26  C    3.923469   4.708506   2.921225   4.230091   3.993510
    27  O    4.037628   4.614180   2.963286   4.323855   4.784669
    28  N    4.731803   5.493890   3.780163   5.213142   4.296696
    29  H    3.579240   4.528929   2.773570   3.673707   3.327098
    30  C    5.248476   6.131821   4.497493   5.672608   4.063006
    31  H    6.276980   7.179342   5.497839   6.624148   5.050814
    32  H    5.451435   6.251024   4.786437   6.029363   4.101310
    33  H    4.772279   5.757947   4.170917   5.046498   3.314640
    34  C    5.681768   6.257190   4.669710   6.299182   5.509389
    35  H    6.609347   7.219832   5.570692   7.131241   6.395068
    36  H    5.415960   5.832651   4.364658   6.083237   5.719673
    37  H    6.047593   6.584250   5.127464   6.776297   5.626833
    38  C    4.946756   4.411645   4.679910   5.992875   6.141898
    39  O    4.528289   3.791424   4.526367   5.522239   5.948455
    40  N    4.795861   4.423742   4.248139   5.786069   6.066945
    41  H    5.831954   5.370929   5.557104   6.909905   6.710351
    42  C    4.037146   3.667645   3.400343   4.877425   5.719984
    43  H    3.400847   2.806645   3.024269   4.218002   5.374759
    44  H    4.898285   4.479446   4.238458   5.618989   6.716584
    45  H    3.687864   3.624286   2.821815   4.473271   5.138032
    46  C    5.853504   5.665756   5.137208   6.828116   6.776863
    47  H    6.480351   6.281023   5.853835   7.513274   7.163778
    48  H    5.606400   5.625730   4.763659   6.532885   6.283133
    49  H    6.579857   6.333987   5.820838   7.490138   7.699324
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794941   0.000000
    13  H    1.789551   1.798137   0.000000
    14  C    5.487413   5.363076   6.887529   0.000000
    15  O    6.179761   6.304844   7.724046   1.242851   0.000000
    16  N    5.381631   4.875866   6.561064   1.360789   2.315299
    17  H    5.202524   5.105876   6.551342   1.107884   2.057406
    18  C    6.143003   5.606118   7.280102   2.467611   2.860686
    19  H    5.780560   5.097942   6.751660   3.269324   3.772118
    20  H    7.144533   6.464159   8.192611   3.077010   3.416689
    21  H    6.365281   6.116640   7.674220   2.573317   2.473634
    22  C    5.014253   4.095121   5.863396   2.466629   3.636016
    23  H    6.003838   4.897699   6.682658   3.181232   4.280946
    24  H    4.387618   3.290199   5.084451   3.190621   4.276513
    25  H    4.736131   3.917691   5.584474   2.551426   3.793766
    26  C    2.944332   4.621948   4.540999   5.635946   5.767740
    27  O    3.841948   5.519335   5.318226   6.419038   6.375083
    28  N    3.247928   4.620256   4.995186   4.447462   4.548080
    29  H    2.284072   4.053666   3.672191   6.053809   6.384117
    30  C    3.087715   4.128611   4.680163   3.996033   4.404773
    31  H    4.077001   5.089291   5.557600   4.397036   4.697701
    32  H    3.304017   3.903937   4.864864   2.950377   3.515919
    33  H    2.362682   3.459358   3.760138   4.702468   5.286981
    34  C    4.533603   5.733051   6.318055   4.140821   3.840162
    35  H    5.365215   6.635968   7.118197   4.772579   4.350622
    36  H    4.802780   6.050679   6.561947   4.707507   4.294621
    37  H    4.755107   5.644208   6.525110   3.104541   2.741837
    38  C    6.070672   6.282717   7.120663   6.114243   6.003396
    39  O    6.065370   6.145731   6.831465   6.912143   6.967826
    40  N    5.761297   6.339952   7.038810   5.894540   5.627068
    41  H    6.647276   6.686532   7.740829   5.760995   5.586432
    42  C    5.341868   6.235668   6.561175   6.650185   6.452876
    43  H    5.176591   5.951150   6.137201   7.168830   7.131529
    44  H    6.284450   7.287020   7.505580   7.484831   7.151668
    45  H    4.592201   5.700370   5.965419   6.136758   5.971000
    46  C    6.306223   6.953305   7.795157   5.318829   4.773731
    47  H    6.773674   7.179004   8.229308   4.957833   4.370523
    48  H    5.676304   6.468482   7.289490   4.669528   4.113275
    49  H    7.178078   7.952764   8.679961   6.232500   5.552528
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056873   0.000000
    18  C    1.464896   3.416460   0.000000
    19  H    2.099176   4.094057   1.101604   0.000000
    20  H    2.121699   3.981143   1.102786   1.791688   0.000000
    21  H    2.102528   3.652706   1.097950   1.797520   1.796920
    22  C    1.462818   2.562344   2.491536   2.618043   2.928309
    23  H    2.114020   3.317332   2.783767   2.921047   2.801353
    24  H    2.108859   3.339943   2.749688   2.422430   3.351966
    25  H    2.104895   2.157081   3.419435   3.643763   3.877920
    26  C    6.110615   5.444681   6.798726   6.755731   7.871532
    27  O    6.875301   6.381404   7.364071   7.279013   8.452192
    28  N    5.105061   4.210068   5.918489   6.060480   6.943563
    29  H    6.410418   5.730634   7.198457   7.067683   8.259107
    30  C    4.671054   3.429229   5.774915   5.982074   6.712463
    31  H    5.278824   3.684416   6.464675   6.805679   7.327681
    32  H    3.600253   2.378804   4.774972   5.049077   5.670030
    33  H    5.151006   4.081833   6.268994   6.321417   7.211864
    34  C    4.997863   4.140623   5.634266   5.953295   6.610054
    35  H    5.796877   4.659150   6.498406   6.919185   7.411204
    36  H    5.405910   4.910818   5.783465   5.997739   6.789720
    37  H    4.049134   3.210791   4.708065   5.157403   5.629661
    38  C    5.636870   6.904412   4.846567   4.267467   5.663491
    39  O    6.286789   7.624639   5.535820   4.763118   6.328329
    40  N    5.717994   6.615031   5.159025   4.802663   6.080109
    41  H    5.219907   6.666846   4.212068   3.706146   4.897038
    42  C    6.579901   7.192381   6.263413   5.874634   7.263024
    43  H    6.933392   7.669711   6.606024   6.050595   7.598744
    44  H    7.509276   8.044946   7.148304   6.821956   8.115413
    45  H    6.222798   6.549600   6.147794   5.863207   7.204494
    46  C    5.400899   6.107911   4.863198   4.822609   5.728423
    47  H    4.932025   5.880291   4.173979   4.207239   4.916356
    48  H    4.964783   5.342178   4.720053   4.811619   5.661268
    49  H    6.416877   7.010869   5.860365   5.869252   6.665401
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391900   0.000000
    23  H    3.819410   1.102351   0.000000
    24  H    3.623014   1.102711   1.790006   0.000000
    25  H    4.183199   1.098960   1.797118   1.794205   0.000000
    26  C    6.556198   6.401885   7.503471   6.109215   6.113734
    27  O    6.979868   7.304893   8.401081   6.961262   7.138447
    28  N    5.671462   5.518851   6.611696   5.431166   5.178140
    29  H    7.111251   6.451140   7.532542   6.075293   6.070775
    30  C    5.759917   4.816273   5.867701   4.858949   4.231640
    31  H    6.417064   5.467198   6.456032   5.674386   4.761325
    32  H    4.843311   3.775629   4.818069   3.932687   3.221793
    33  H    6.387433   5.004748   6.035319   4.881863   4.362677
    34  C    5.147828   5.773724   6.818390   5.843800   5.573939
    35  H    5.976989   6.594422   7.610128   6.770410   6.292820
    36  H    5.170432   6.263447   7.301280   6.211002   6.225169
    37  H    4.227118   4.956077   5.950620   5.163432   4.814706
    38  C    4.366363   6.321047   6.989675   5.738094   7.037679
    39  O    5.252412   6.730016   7.359352   5.979884   7.451649
    40  N    4.515718   6.533209   7.340287   6.059228   7.092334
    41  H    3.673579   6.025093   6.577237   5.562300   6.843295
    42  C    5.701240   7.245606   8.152591   6.690550   7.648790
    43  H    6.190647   7.411460   8.287826   6.715096   7.837287
    44  H    6.484560   8.262066   9.167328   7.752813   8.655369
    45  H    5.618698   6.859383   7.844159   6.366110   7.119025
    46  C    3.992425   6.475304   7.275372   6.242593   6.992301
    47  H    3.228617   6.100215   6.780518   5.953132   6.732884
    48  H    3.884946   6.040596   6.928822   5.891322   6.408585
    49  H    4.922813   7.541408   8.334958   7.339092   8.033588
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242587   0.000000
    28  N    1.360999   2.314898   0.000000
    29  H    1.107923   2.057594   2.057101   0.000000
    30  C    2.465377   3.633954   1.463246   2.561689   0.000000
    31  H    3.125216   4.214138   2.117061   3.247641   1.103042
    32  H    3.238474   4.332225   2.107340   3.401335   1.101419
    33  H    2.554816   3.797189   2.103012   2.163898   1.098589
    34  C    2.462468   2.851085   1.464952   3.413397   2.496750
    35  H    3.020609   3.317235   2.123608   3.939457   2.948732
    36  H    2.586418   2.503602   2.099961   3.659532   3.389828
    37  H    3.294513   3.811036   2.098278   4.116534   2.616595
    38  C    6.074343   5.833243   6.084428   6.625380   6.915418
    39  O    6.470353   6.229686   6.663565   6.854642   7.439510
    40  N    5.152894   4.766089   5.196033   5.855890   6.222594
    41  H    6.697670   6.561362   6.497832   7.287364   7.213561
    42  C    4.463449   3.834866   4.870873   5.122219   6.058573
    43  H    4.800704   4.235752   5.366780   5.251468   6.448754
    44  H    5.045479   4.199769   5.517156   5.780486   6.816429
    45  H    3.381980   2.766948   3.825747   4.103745   5.073218
    46  C    5.253471   4.911689   5.001029   6.128852   6.035025
    47  H    6.006949   5.822347   5.572194   6.840601   6.419263
    48  H    4.368694   4.129280   3.991103   5.301041   5.044943
    49  H    5.800056   5.263124   5.634419   6.746776   6.787890
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788090   0.000000
    33  H    1.798552   1.793749   0.000000
    34  C    2.818018   2.730405   3.419612   0.000000
    35  H    2.854730   3.339627   3.905859   1.103493   0.000000
    36  H    3.846824   3.601208   4.169788   1.097431   1.796301
    37  H    2.955692   2.393006   3.630267   1.099856   1.791192
    38  C    7.871478   6.544697   7.220762   5.834786   6.828134
    39  O    8.462838   7.116749   7.573227   6.646406   7.675677
    40  N    7.105099   5.996655   6.626337   4.809457   5.732457
    41  H    8.123679   6.696774   7.611972   6.102703   7.073622
    42  C    6.939971   6.086204   6.332974   4.708452   5.572955
    43  H    7.406869   6.485787   6.548534   5.458434   6.373269
    44  H    7.613247   6.923105   7.143581   5.203214   5.923288
    45  H    5.921962   5.211602   5.361872   3.749450   4.605332
    46  C    6.764043   5.751728   6.660672   4.226002   5.018387
    47  H    7.133924   5.956879   7.084396   4.751068   5.545360
    48  H    5.716425   4.818044   5.741613   3.131600   3.926459
    49  H    7.434340   6.603087   7.451702   4.729373   5.355495
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796581   0.000000
    38  C    5.131066   5.667771   0.000000
    39  O    5.970066   6.556430   1.241865   0.000000
    40  N    3.976408   4.797589   1.361301   2.318422   0.000000
    41  H    5.483316   5.746551   1.109362   2.057414   2.054895
    42  C    3.790386   5.016979   2.471563   2.875099   1.462676
    43  H    4.635498   5.769751   2.555697   2.445302   2.100030
    44  H    4.175017   5.607548   3.161634   3.579131   2.110065
    45  H    2.870296   4.190747   3.213395   3.680353   2.105636
    46  C    3.398137   4.080938   2.466929   3.637710   1.463627
    47  H    4.094899   4.355714   2.555543   3.796429   2.107861
    48  H    2.340363   3.020288   3.210602   4.298102   2.111675
    49  H    3.786709   4.714090   3.162086   4.264922   2.112631
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.416586   0.000000
    43  H    3.644400   1.096557   0.000000
    44  H    4.034114   1.102828   1.797819   0.000000
    45  H    4.050708   1.101136   1.798738   1.787094   0.000000
    46  C    2.556735   2.484971   3.408312   2.803599   2.704312
    47  H    2.155524   3.414245   4.197875   3.802555   3.684218
    48  H    3.362368   2.716428   3.688172   3.137458   2.468369
    49  H    3.283860   2.802437   3.799647   2.672426   3.119830
                   46         47         48         49
    46  C    0.000000
    47  H    1.099124   0.000000
    48  H    1.101004   1.793631   0.000000
    49  H    1.102658   1.796597   1.786169   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2157797      0.1881860      0.1844073
 Leave Link  202 at Mon Nov 14 00:38:31 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1846.3370052672 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1837357481 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.1532695192 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4047
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.77D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     225
 GePol: Fraction of low-weight points (<1% of avg)   =       5.56%
 GePol: Cavity surface area                          =    467.258 Ang**2
 GePol: Cavity volume                                =    458.177 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040101108 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.1492594083 Hartrees.
 Leave Link  301 at Mon Nov 14 00:38:31 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11983 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:38:33 2016, MaxMem=  2952790016 cpu:        15.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:38:33 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000250    0.001206   -0.000127
         Rot=    1.000000    0.000020    0.000052   -0.000158 Ang=   0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50922008190    
 Leave Link  401 at Mon Nov 14 00:38:40 2016, MaxMem=  2952790016 cpu:        79.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49134627.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   2322.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.13D-15 for   2545   2148.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.33D-15 for   3006.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.47D-09 for   2286   2231.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.12D-14 for     20.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.27D-14 for   2418    160.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.55D-15 for   3167.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.05D-15 for   2343    173.
 E= -1013.45030220894    
 DIIS: error= 5.53D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45030220894     IErMin= 1 ErrMin= 5.53D-04
 ErrMax= 5.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-04 BMatP= 2.42D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.53D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=9.44D-05 MaxDP=5.94D-03              OVMax= 6.02D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.44D-05    CP:  1.00D+00
 E= -1013.45075371557     Delta-E=       -0.000451506632 Rises=F Damp=F
 DIIS: error= 8.21D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45075371557     IErMin= 2 ErrMin= 8.21D-05
 ErrMax= 8.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.86D-06 BMatP= 2.42D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.254D-01 0.975D+00
 Coeff:      0.254D-01 0.975D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.67D-05 MaxDP=9.68D-04 DE=-4.52D-04 OVMax= 1.76D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.58D-05    CP:  1.00D+00  9.46D-01
 E= -1013.45074667462     Delta-E=        0.000007040957 Rises=F Damp=F
 DIIS: error= 2.08D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45075371557     IErMin= 2 ErrMin= 8.21D-05
 ErrMax= 2.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-05 BMatP= 5.86D-06
 IDIUse=3 WtCom= 4.09D-01 WtEn= 5.91D-01
 Coeff-Com:  0.297D-02 0.622D+00 0.375D+00
 Coeff-En:   0.000D+00 0.684D+00 0.316D+00
 Coeff:      0.122D-02 0.659D+00 0.340D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.13D-05 MaxDP=8.65D-04 DE= 7.04D-06 OVMax= 1.61D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.54D-06    CP:  1.00D+00  9.59D-01  4.25D-01
 E= -1013.45075796379     Delta-E=       -0.000011289171 Rises=F Damp=F
 DIIS: error= 6.06D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45075796379     IErMin= 4 ErrMin= 6.06D-05
 ErrMax= 6.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-06 BMatP= 5.86D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.531D-04 0.274D+00 0.242D+00 0.484D+00
 Coeff:      0.531D-04 0.274D+00 0.242D+00 0.484D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.85D-06 MaxDP=3.17D-04 DE=-1.13D-05 OVMax= 4.26D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.89D-06    CP:  1.00D+00  9.64D-01  4.69D-01  5.04D-01
 E= -1013.45075908582     Delta-E=       -0.000001122037 Rises=F Damp=F
 DIIS: error= 1.92D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45075908582     IErMin= 5 ErrMin= 1.92D-05
 ErrMax= 1.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.58D-07 BMatP= 1.54D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-03 0.149D+00 0.146D+00 0.342D+00 0.362D+00
 Coeff:      0.153D-03 0.149D+00 0.146D+00 0.342D+00 0.362D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.19D-06 MaxDP=8.18D-05 DE=-1.12D-06 OVMax= 1.06D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.03D-07    CP:  1.00D+00  9.65D-01  4.54D-01  5.30D-01  5.15D-01
 E= -1013.45075929191     Delta-E=       -0.000000206089 Rises=F Damp=F
 DIIS: error= 8.76D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45075929191     IErMin= 6 ErrMin= 8.76D-07
 ErrMax= 8.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-09 BMatP= 2.58D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.559D-08 0.438D-01 0.443D-01 0.108D+00 0.136D+00 0.668D+00
 Coeff:     -0.559D-08 0.438D-01 0.443D-01 0.108D+00 0.136D+00 0.668D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=5.96D-06 DE=-2.06D-07 OVMax= 9.46D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.29D-07    CP:  1.00D+00  9.64D-01  4.56D-01  5.31D-01  5.20D-01
                    CP:  8.99D-01
 E= -1013.45075929289     Delta-E=       -0.000000000980 Rises=F Damp=F
 DIIS: error= 5.53D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45075929289     IErMin= 7 ErrMin= 5.53D-07
 ErrMax= 5.53D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-10 BMatP= 1.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.163D-04 0.130D-01 0.136D-01 0.340D-01 0.474D-01 0.364D+00
 Coeff-Com:  0.528D+00
 Coeff:     -0.163D-04 0.130D-01 0.136D-01 0.340D-01 0.474D-01 0.364D+00
 Coeff:      0.528D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.98D-08 MaxDP=2.88D-06 DE=-9.80D-10 OVMax= 3.25D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.84D-08    CP:  1.00D+00  9.64D-01  4.56D-01  5.31D-01  5.20D-01
                    CP:  9.02D-01  7.58D-01
 E= -1013.45075929317     Delta-E=       -0.000000000275 Rises=F Damp=F
 DIIS: error= 9.81D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45075929317     IErMin= 8 ErrMin= 9.81D-08
 ErrMax= 9.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-11 BMatP= 2.77D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.623D-05 0.177D-02 0.196D-02 0.506D-02 0.803D-02 0.928D-01
 Coeff-Com:  0.228D+00 0.662D+00
 Coeff:     -0.623D-05 0.177D-02 0.196D-02 0.506D-02 0.803D-02 0.928D-01
 Coeff:      0.228D+00 0.662D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.52D-08 MaxDP=8.35D-07 DE=-2.75D-10 OVMax= 1.41D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.21D-08    CP:  1.00D+00  9.64D-01  4.56D-01  5.31D-01  5.20D-01
                    CP:  9.09D-01  7.71D-01  8.00D-01
 E= -1013.45075929318     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 1.15D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45075929318     IErMin= 8 ErrMin= 9.81D-08
 ErrMax= 1.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.71D-12 BMatP= 1.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.368D-05 0.647D-03 0.760D-03 0.203D-02 0.358D-02 0.515D-01
 Coeff-Com:  0.146D+00 0.509D+00 0.286D+00
 Coeff:     -0.368D-05 0.647D-03 0.760D-03 0.203D-02 0.358D-02 0.515D-01
 Coeff:      0.146D+00 0.509D+00 0.286D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.83D-09 MaxDP=5.52D-07 DE=-8.64D-12 OVMax= 9.49D-07

 Error on total polarization charges =  0.04253
 SCF Done:  E(RB97D) =  -1013.45075929     A.U. after    9 cycles
            NFock=  9  Conv=0.78D-08     -V/T= 2.0213
 KE= 9.923577644369D+02 PE=-6.023647860708D+03 EE= 2.171690077570D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:40:32 2016, MaxMem=  2952790016 cpu:      1283.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11983 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 00:40:40 2016, MaxMem=  2952790016 cpu:        97.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:40:40 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:41:17 2016, MaxMem=  2952790016 cpu:       439.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.57610766D+00-2.93171816D+00 3.47517547D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000436540    0.001225525   -0.000989007
      2        6           0.000131399    0.000027321    0.000034689
      3        8           0.000033481    0.000010562    0.000015416
      4        7           0.000020802   -0.000044236   -0.000067224
      5        1           0.000055655    0.000039191   -0.000024262
      6        6           0.000066857   -0.000035961   -0.000054040
      7        1           0.000039288    0.000008826    0.000016430
      8        1           0.000060214   -0.000108036   -0.000028017
      9        1           0.000046769    0.000008771    0.000056914
     10        6          -0.000047230   -0.000031826    0.000028403
     11        1          -0.000006702   -0.000080672   -0.000048776
     12        1           0.000034341    0.000019382   -0.000035179
     13        1           0.000034592    0.000014201    0.000020410
     14        6          -0.000000240   -0.000003293    0.000076838
     15        8          -0.000039575    0.000002016   -0.000024401
     16        7          -0.000036701    0.000029339    0.000068451
     17        1          -0.000036689   -0.000015521   -0.000025349
     18        6          -0.000156902   -0.000023235    0.000117624
     19        1           0.000002983   -0.000002031   -0.000024143
     20        1          -0.000015592    0.000022671   -0.000026963
     21        1           0.000004067    0.000067932   -0.000040623
     22        6          -0.000054644    0.000054238   -0.000104320
     23        1          -0.000016832    0.000002187   -0.000009225
     24        1          -0.000075259   -0.000035437    0.000036183
     25        1          -0.000013641    0.000022289   -0.000025979
     26        6           0.000020285   -0.000099620   -0.000030608
     27        8          -0.000001443   -0.000042393    0.000026680
     28        7          -0.000023931    0.000018743    0.000004514
     29        1           0.000067008   -0.000014068    0.000061030
     30        6           0.000044374    0.000100216   -0.000031416
     31        1          -0.000060080   -0.000057956    0.000045907
     32        1          -0.000036085   -0.000023613    0.000037739
     33        1           0.000029608   -0.000035958    0.000009953
     34        6          -0.000009488    0.000038349    0.000093439
     35        1          -0.000028704   -0.000033187    0.000012526
     36        1          -0.000071933   -0.000053980   -0.000020291
     37        1          -0.000006671   -0.000041847    0.000011019
     38        6          -0.000597604   -0.000258923    0.000235779
     39        8           0.000249195   -0.000132405   -0.000100221
     40        7           0.000467865   -0.000712060    0.000018215
     41        1          -0.000139153    0.000102646   -0.000059589
     42        6           0.000145081    0.000126263    0.000208632
     43        1          -0.000050896   -0.000218953   -0.000059502
     44        1           0.000089348    0.000123233    0.000011044
     45        1           0.000103170   -0.000293326    0.000292558
     46        6          -0.001380243    0.000770694    0.000755486
     47        1           0.000096904   -0.000011325   -0.000320081
     48        1           0.000584210   -0.000299989   -0.000240386
     49        1           0.000042203   -0.000124744    0.000093721
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001380243 RMS     0.000237394
 Leave Link  716 at Mon Nov 14 00:41:17 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000614725 RMS     0.000050437
 Search for a local minimum.
 Step number   9 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .50437D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    6    7    8    9
 DE= -6.83D-05 DEPred=-2.89D-05 R= 2.36D+00
 TightC=F SS=  1.41D+00  RLast= 1.30D-01 DXNew= 1.4968D+00 3.8978D-01
 Trust test= 2.36D+00 RLast= 1.30D-01 DXMaxT set to 8.90D-01
 ITU=  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00076   0.00342   0.00350   0.00383   0.00389
     Eigenvalues ---    0.00538   0.00610   0.00709   0.00762   0.00771
     Eigenvalues ---    0.00886   0.00894   0.00924   0.01021   0.01026
     Eigenvalues ---    0.01055   0.01170   0.01225   0.01277   0.01353
     Eigenvalues ---    0.01383   0.01413   0.01513   0.01521   0.01546
     Eigenvalues ---    0.01606   0.01772   0.01777   0.01860   0.01892
     Eigenvalues ---    0.01945   0.01985   0.02064   0.02112   0.02131
     Eigenvalues ---    0.02171   0.02257   0.02517   0.02730   0.02862
     Eigenvalues ---    0.02999   0.03433   0.03652   0.03965   0.04182
     Eigenvalues ---    0.04294   0.04743   0.05075   0.05305   0.05723
     Eigenvalues ---    0.05839   0.06070   0.06092   0.06269   0.06800
     Eigenvalues ---    0.07186   0.07703   0.07735   0.07831   0.07981
     Eigenvalues ---    0.08070   0.08153   0.08402   0.08473   0.08579
     Eigenvalues ---    0.08618   0.08714   0.08774   0.08826   0.09030
     Eigenvalues ---    0.09150   0.09617   0.09789   0.09982   0.10001
     Eigenvalues ---    0.10065   0.10150   0.10365   0.10531   0.10533
     Eigenvalues ---    0.10618   0.10703   0.10811   0.11320   0.11392
     Eigenvalues ---    0.11575   0.11733   0.11843   0.12821   0.13326
     Eigenvalues ---    0.13744   0.14428   0.14690   0.15306   0.15643
     Eigenvalues ---    0.15950   0.16846   0.22134   0.23266   0.23779
     Eigenvalues ---    0.24024   0.24869   0.25144   0.25821   0.26569
     Eigenvalues ---    0.27065   0.27953   0.27992   0.29268   0.29791
     Eigenvalues ---    0.29945   0.30565   0.32716   0.32735   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33391   0.33416   0.33425   0.33504   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33831   0.33898   0.33914
     Eigenvalues ---    0.33945   0.34000   0.34136   0.37098   0.39547
     Eigenvalues ---    0.40708   0.41637   0.85943   0.85987   0.86093
     Eigenvalues ---    0.86728
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     9    8    7    6    5
 RFO step:  Lambda=-7.66008673D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.01D-04 SmlDif=  1.00D-05
 RMS Error=  0.2658097223D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.59656   -0.72466    0.96130   -1.25345    0.42025
 Iteration  1 RMS(Cart)=  0.00865733 RMS(Int)=  0.00025979
 Iteration  2 RMS(Cart)=  0.00018228 RMS(Int)=  0.00012008
 Iteration  3 RMS(Cart)=  0.00000012 RMS(Int)=  0.00012008
 ITry= 1 IFail=0 DXMaxC= 1.08D-01 DCOld= 1.00D+10 DXMaxT= 8.90D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.69176   0.00001  -0.01280  -0.00194  -0.01475   6.67701
    R2        6.21721   0.00002   0.00120   0.00154   0.00277   6.21997
    R3        6.99218   0.00001   0.00605   0.00194   0.00798   7.00016
    R4        6.04835  -0.00004   0.00636   0.00043   0.00681   6.05516
    R5        6.59622   0.00000  -0.00014   0.00083   0.00070   6.59692
    R6        5.96380   0.00000   0.00086   0.00010   0.00095   5.96475
    R7        6.71868  -0.00001   0.00030  -0.00018   0.00012   6.71880
    R8        6.22470   0.00000   0.00021   0.00005   0.00025   6.22494
    R9        6.63614   0.00003  -0.00153  -0.00044  -0.00196   6.63417
   R10        6.04307   0.00000  -0.00041   0.00164   0.00122   6.04430
   R11        6.97589   0.00002   0.00039   0.00080   0.00119   6.97708
   R12        6.02516   0.00002  -0.00063   0.00101   0.00037   6.02553
   R13        6.91247   0.00004  -0.00020   0.00221   0.00200   6.91446
   R14        6.19601   0.00002   0.00060   0.00034   0.00093   6.19694
   R15        6.86401   0.00004   0.00346   0.00123   0.00466   6.86867
   R16        5.95861  -0.00001   0.00326   0.00049   0.00376   5.96237
   R17        6.69436  -0.00003  -0.00291  -0.00185  -0.00477   6.68960
   R18        6.64948  -0.00016  -0.00352  -0.00111  -0.00457   6.64491
   R19        6.22837  -0.00002   0.00433  -0.00172   0.00231   6.23067
   R20        6.88924  -0.00017  -0.02224  -0.01489  -0.03730   6.85194
   R21        6.03349  -0.00005  -0.01226  -0.00993  -0.02180   6.01169
   R22        6.78222   0.00052   0.00420   0.01309   0.01618   6.79840
   R23        5.90741  -0.00003  -0.04386   0.00085  -0.04232   5.86509
   R24        2.34830   0.00001  -0.00001  -0.00001  -0.00002   2.34828
   R25        2.57347  -0.00007   0.00039  -0.00013   0.00022   2.57369
   R26        2.09449  -0.00001  -0.00016  -0.00013  -0.00029   2.09421
   R27        2.76640  -0.00002   0.00033   0.00002   0.00036   2.76676
   R28        2.76782  -0.00003   0.00025  -0.00007   0.00013   2.76795
   R29        2.07591   0.00000   0.00002   0.00000   0.00003   2.07594
   R30        2.08270   0.00001   0.00015   0.00007   0.00023   2.08293
   R31        2.08319   0.00000  -0.00008  -0.00003  -0.00011   2.08307
   R32        2.07998  -0.00002   0.00017   0.00004   0.00023   2.08021
   R33        2.07472   0.00000   0.00004   0.00001   0.00005   2.07478
   R34        2.08387   0.00000  -0.00011  -0.00001  -0.00011   2.08375
   R35        2.34865   0.00000   0.00001   0.00001   0.00002   2.34867
   R36        2.57152   0.00003   0.00000   0.00003   0.00004   2.57156
   R37        2.09360   0.00000   0.00001  -0.00001   0.00000   2.09360
   R38        2.76825   0.00003  -0.00014   0.00016   0.00002   2.76828
   R39        2.76433   0.00008  -0.00019   0.00011  -0.00001   2.76432
   R40        2.08173   0.00000  -0.00001   0.00007   0.00006   2.08179
   R41        2.08396  -0.00001   0.00001  -0.00002  -0.00001   2.08395
   R42        2.07483   0.00001   0.00006   0.00003   0.00009   2.07492
   R43        2.08314   0.00000  -0.00002   0.00002   0.00000   2.08314
   R44        2.08382  -0.00003   0.00007  -0.00010  -0.00008   2.08374
   R45        2.07673   0.00000   0.00001  -0.00001   0.00001   2.07674
   R46        2.34815  -0.00001   0.00005  -0.00002   0.00003   2.34818
   R47        2.57192  -0.00006   0.00008  -0.00005   0.00003   2.57195
   R48        2.09367   0.00000  -0.00001  -0.00001  -0.00002   2.09365
   R49        2.76513  -0.00003   0.00007  -0.00002   0.00008   2.76522
   R50        2.76836   0.00004   0.00008   0.00011   0.00021   2.76857
   R51        2.08445   0.00000  -0.00003   0.00001  -0.00002   2.08443
   R52        2.08138   0.00002  -0.00003   0.00007   0.00014   2.08152
   R53        2.07603   0.00001   0.00001   0.00002   0.00003   2.07607
   R54        2.08530   0.00000  -0.00001  -0.00001  -0.00002   2.08528
   R55        2.07384  -0.00001   0.00006   0.00005   0.00011   2.07396
   R56        2.07843   0.00000  -0.00008  -0.00002  -0.00010   2.07833
   R57        2.34679  -0.00005   0.00027  -0.00019   0.00008   2.34687
   R58        2.57249   0.00024  -0.00062   0.00071   0.00025   2.57274
   R59        2.09639   0.00002  -0.00023  -0.00004  -0.00027   2.09612
   R60        2.76406   0.00021  -0.00055   0.00045  -0.00003   2.76403
   R61        2.76585  -0.00016   0.00013   0.00001   0.00025   2.76610
   R62        2.07219  -0.00004   0.00008  -0.00003   0.00004   2.07224
   R63        2.08404   0.00008  -0.00020   0.00015  -0.00005   2.08400
   R64        2.08085   0.00006  -0.00059   0.00011  -0.00033   2.08052
   R65        2.07704  -0.00007  -0.00021   0.00013  -0.00009   2.07696
   R66        2.08060   0.00061  -0.00014   0.00160   0.00272   2.08332
   R67        2.08372   0.00002  -0.00005  -0.00014  -0.00019   2.08354
    A1        0.69422  -0.00001   0.00023  -0.00004   0.00017   0.69439
    A2        0.98026  -0.00001   0.00009  -0.00018  -0.00011   0.98015
    A3        0.71694  -0.00002   0.00089   0.00003   0.00089   0.71783
    A4        1.01161  -0.00002   0.00090   0.00001   0.00089   1.01249
    A5        2.30353   0.00001  -0.00075  -0.00009  -0.00084   2.30270
    A6        1.97973   0.00001  -0.00057   0.00006  -0.00051   1.97922
    A7        1.93412   0.00002  -0.00024   0.00036   0.00014   1.93426
    A8        1.64127   0.00002  -0.00030   0.00022  -0.00006   1.64121
    A9        1.61397  -0.00001  -0.00062  -0.00001  -0.00064   1.61333
   A10        1.33104   0.00000  -0.00060   0.00005  -0.00056   1.33048
   A11        1.74615  -0.00002   0.00043   0.00005   0.00046   1.74661
   A12        2.04046  -0.00002   0.00036  -0.00005   0.00028   2.04074
   A13        1.93021  -0.00003   0.00028   0.00005   0.00031   1.93052
   A14        2.01084  -0.00003  -0.00036  -0.00019  -0.00056   2.01028
   A15        2.44133  -0.00002   0.00056   0.00004   0.00057   2.44191
   A16        1.50230   0.00004   0.00394   0.00192   0.00589   1.50819
   A17        1.75047   0.00007   0.00209   0.00138   0.00344   1.75391
   A18        1.59882   0.00003  -0.00149  -0.00008  -0.00157   1.59725
   A19        1.69581   0.00009   0.00145   0.00188   0.00330   1.69910
   A20        2.16772   0.00000   0.00224   0.00066   0.00293   2.17065
   A21        2.39546   0.00003   0.00622   0.00200   0.00803   2.40349
   A22        0.66100  -0.00001  -0.00011  -0.00013  -0.00024   0.66076
   A23        0.66329   0.00000  -0.00002  -0.00008  -0.00011   0.66318
   A24        2.38091   0.00000  -0.00090  -0.00029  -0.00120   2.37971
   A25        2.19034   0.00000  -0.00035   0.00001  -0.00035   2.18999
   A26        2.27872   0.00001   0.00036   0.00040   0.00075   2.27947
   A27        2.01212   0.00001   0.00042   0.00027   0.00069   2.01281
   A28        1.78526  -0.00001  -0.00034   0.00002  -0.00033   1.78492
   A29        1.53576   0.00000  -0.00030   0.00012  -0.00018   1.53557
   A30        1.35324   0.00000  -0.00036  -0.00004  -0.00040   1.35284
   A31        1.65007  -0.00001  -0.00050  -0.00016  -0.00066   1.64941
   A32        1.59753  -0.00002  -0.00059  -0.00010  -0.00069   1.59683
   A33        1.74955  -0.00002  -0.00114  -0.00035  -0.00148   1.74808
   A34        2.04676   0.00000  -0.00027  -0.00005  -0.00032   2.04644
   A35        1.70474   0.00005   0.00586   0.00257   0.00845   1.71319
   A36        1.82373   0.00007   0.00341   0.00184   0.00519   1.82892
   A37        1.53583   0.00003  -0.00025   0.00022   0.00000   1.53583
   A38        1.52381   0.00009   0.00198   0.00189   0.00386   1.52767
   A39        2.22277   0.00003   0.00191   0.00075   0.00262   2.22539
   A40        2.32329   0.00002   0.00833   0.00315   0.01152   2.33481
   A41        0.70601  -0.00001  -0.00030  -0.00017  -0.00048   0.70553
   A42        0.77367  -0.00001  -0.00032  -0.00011  -0.00043   0.77323
   A43        2.68358  -0.00001  -0.00109  -0.00048  -0.00157   2.68201
   A44        2.59310   0.00000  -0.00073  -0.00013  -0.00087   2.59223
   A45        2.62307   0.00001   0.00010   0.00034   0.00044   2.62351
   A46        2.31504   0.00001   0.00009   0.00025   0.00033   2.31537
   A47        2.18665  -0.00001  -0.00068  -0.00010  -0.00080   2.18585
   A48        1.94128  -0.00001  -0.00068   0.00000  -0.00069   1.94059
   A49        1.12476   0.00000  -0.00017   0.00001  -0.00017   1.12459
   A50        1.48616  -0.00002  -0.00025  -0.00016  -0.00041   1.48574
   A51        1.59544  -0.00003  -0.00057  -0.00019  -0.00076   1.59467
   A52        1.83462  -0.00003  -0.00110  -0.00042  -0.00151   1.83312
   A53        1.80338  -0.00001   0.00007  -0.00004   0.00003   1.80341
   A54        1.50924   0.00008   0.00666   0.00291   0.00958   1.51882
   A55        1.50706   0.00007   0.00399   0.00205   0.00597   1.51303
   A56        1.16366   0.00003   0.00059   0.00045   0.00107   1.16473
   A57        1.12046   0.00009   0.00243   0.00200   0.00441   1.12486
   A58        1.86462   0.00004   0.00173   0.00083   0.00249   1.86710
   A59        1.92247   0.00002   0.00877   0.00335   0.01219   1.93465
   A60        0.84213  -0.00001   0.00058   0.00004   0.00061   0.84274
   A61        0.78558  -0.00001   0.00079   0.00023   0.00101   0.78659
   A62        2.60929  -0.00001   0.00066  -0.00004   0.00062   2.60991
   A63        2.75591  -0.00001   0.00052   0.00006   0.00058   2.75649
   A64        2.59065   0.00001  -0.00056   0.00000  -0.00056   2.59008
   A65        2.37689  -0.00001   0.00043   0.00012   0.00054   2.37743
   A66        2.17296  -0.00001   0.00006   0.00013   0.00018   2.17314
   A67        0.87044  -0.00001   0.00067   0.00031   0.00098   0.87142
   A68        1.24564  -0.00002   0.00071   0.00016   0.00087   1.24651
   A69        1.43229  -0.00003   0.00069   0.00016   0.00085   1.43314
   A70        1.70614  -0.00004   0.00034  -0.00002   0.00034   1.70648
   A71        1.52724  -0.00001   0.00066   0.00019   0.00085   1.52810
   A72        1.53864   0.00009   0.00523   0.00250   0.00774   1.54637
   A73        1.42522   0.00007   0.00282   0.00171   0.00446   1.42968
   A74        1.03209   0.00003   0.00028   0.00034   0.00065   1.03274
   A75        0.91423   0.00008   0.00186   0.00170   0.00355   0.91777
   A76        1.71343   0.00006   0.00007   0.00052   0.00051   1.71394
   A77        1.70493   0.00002   0.00806   0.00337   0.01155   1.71647
   A78        1.99626   0.00001  -0.00093  -0.00029  -0.00121   1.99505
   A79        1.92526   0.00001  -0.00035  -0.00002  -0.00038   1.92488
   A80        2.19401   0.00001   0.00024   0.00029   0.00053   2.19454
   A81        2.04497   0.00000   0.00048   0.00014   0.00062   2.04560
   A82        1.53477   0.00000  -0.00014   0.00009  -0.00005   1.53471
   A83        1.35433   0.00000  -0.00009   0.00021   0.00012   1.35446
   A84        1.18470   0.00000  -0.00034   0.00000  -0.00034   1.18436
   A85        1.37412  -0.00001  -0.00056  -0.00006  -0.00062   1.37350
   A86        1.21346  -0.00001  -0.00060   0.00001  -0.00058   1.21288
   A87        1.32737  -0.00002  -0.00117  -0.00025  -0.00141   1.32596
   A88        1.80005   0.00000  -0.00037   0.00007  -0.00029   1.79975
   A89        2.13603   0.00005   0.00594   0.00250   0.00844   2.14447
   A90        2.21187   0.00007   0.00367   0.00187   0.00547   2.21733
   A91        1.85940   0.00002   0.00061   0.00035   0.00098   1.86038
   A92        1.75221   0.00006   0.00238   0.00161   0.00397   1.75618
   A93        2.55458   0.00004   0.00086   0.00059   0.00133   2.55591
   A94        2.50289   0.00001   0.00753   0.00326   0.01095   2.51384
   A95        1.91210   0.00000  -0.00069  -0.00038  -0.00107   1.91103
   A96        1.97370   0.00000  -0.00012  -0.00014  -0.00026   1.97344
   A97        2.34173   0.00001   0.00031   0.00009   0.00040   2.34213
   A98        2.28551  -0.00001   0.00064  -0.00001   0.00063   2.28614
   A99        1.63763  -0.00001   0.00025   0.00003   0.00028   1.63791
   A100       1.52734   0.00000   0.00026   0.00015   0.00041   1.52775
   A101       0.88222   0.00000  -0.00044   0.00007  -0.00037   0.88185
   A102       1.05757   0.00000  -0.00061  -0.00001  -0.00062   1.05695
   A103       0.93472  -0.00002  -0.00057  -0.00001  -0.00058   0.93414
   A104       1.10236  -0.00002  -0.00105  -0.00030  -0.00134   1.10103
   A105       1.48323   0.00001  -0.00042   0.00012  -0.00030   1.48293
   A106       2.28286   0.00007   0.00634   0.00281   0.00915   2.29201
   A107       2.20758   0.00006   0.00349   0.00189   0.00530   2.21287
   A108       1.80255   0.00002   0.00130   0.00059   0.00192   1.80447
   A109       1.61720   0.00005   0.00226   0.00135   0.00360   1.62079
   A110       2.41473   0.00006  -0.00073   0.00044  -0.00044   2.41430
   A111       2.25613   0.00001   0.00598   0.00299   0.00916   2.26529
   A112       0.71327   0.00000   0.00005   0.00003   0.00008   0.71335
   A113       1.00561   0.00000   0.00007  -0.00001   0.00006   1.00567
   A114       0.69365   0.00002  -0.00009  -0.00002  -0.00009   0.69356
   A115       0.98012   0.00001  -0.00013  -0.00006  -0.00018   0.97994
   A116       1.79342   0.00000   0.00008  -0.00028  -0.00020   1.79322
   A117       1.41528   0.00001   0.00005  -0.00011  -0.00005   1.41523
   A118       1.17886   0.00002   0.00002  -0.00017  -0.00016   1.17870
   A119       0.90335   0.00003   0.00031  -0.00003   0.00027   0.90362
   A120       1.24579   0.00000   0.00019  -0.00001   0.00019   1.24597
   A121       2.08754  -0.00007  -0.00567  -0.00244  -0.00812   2.07942
   A122       2.07108  -0.00007  -0.00264  -0.00157  -0.00414   2.06694
   A123       2.35419  -0.00003   0.00155   0.00010   0.00163   2.35583
   A124       2.28235  -0.00010  -0.00058  -0.00180  -0.00235   2.28000
   A125       1.67949  -0.00003  -0.00102  -0.00046  -0.00144   1.67805
   A126       1.54342  -0.00003  -0.00693  -0.00254  -0.00944   1.53399
   A127       0.65791  -0.00001   0.00003  -0.00010  -0.00006   0.65784
   A128       0.66194   0.00001   0.00003  -0.00005  -0.00002   0.66191
   A129       2.14598   0.00000   0.00023  -0.00017   0.00007   2.14604
   A130       1.77882   0.00001   0.00018   0.00000   0.00019   1.77900
   A131       1.47768   0.00003   0.00032   0.00003   0.00035   1.47803
   A132       1.18427   0.00003   0.00053   0.00013   0.00064   1.18490
   A133       1.63851   0.00001   0.00017   0.00000   0.00018   1.63869
   A134       1.94820  -0.00008  -0.00582  -0.00249  -0.00831   1.93989
   A135       2.10109  -0.00006  -0.00339  -0.00177  -0.00509   2.09600
   A136       2.49398  -0.00002  -0.00061  -0.00038  -0.00102   2.49295
   A137       2.56902  -0.00009  -0.00165  -0.00189  -0.00351   2.56550
   A138       1.80289  -0.00005  -0.00060  -0.00059  -0.00110   1.80179
   A139       1.76758  -0.00002  -0.00804  -0.00321  -0.01131   1.75628
   A140       0.70469   0.00001   0.00002   0.00003   0.00006   0.70475
   A141       0.84058   0.00001   0.00029   0.00005   0.00034   0.84092
   A142       2.49534   0.00000  -0.00002  -0.00034  -0.00035   2.49499
   A143       2.11619   0.00001  -0.00004  -0.00017  -0.00020   2.11599
   A144       1.88252   0.00003   0.00022  -0.00004   0.00017   1.88269
   A145       1.59455   0.00003   0.00051   0.00011   0.00059   1.59514
   A146       1.85029   0.00000  -0.00024  -0.00030  -0.00053   1.84975
   A147       1.52123  -0.00008  -0.00584  -0.00252  -0.00836   1.51288
   A148       1.71910  -0.00006  -0.00356  -0.00182  -0.00530   1.71381
   A149       2.13111  -0.00002  -0.00184  -0.00067  -0.00253   2.12858
   A150       2.31984  -0.00006  -0.00262  -0.00161  -0.00421   2.31563
   A151       1.50878  -0.00007  -0.00022  -0.00069  -0.00079   1.50799
   A152       1.57875  -0.00002  -0.00825  -0.00364  -0.01206   1.56669
   A153       0.76698  -0.00001  -0.00009  -0.00025  -0.00034   0.76664
   A154       0.77812  -0.00001   0.00022  -0.00025  -0.00003   0.77809
   A155       2.79872  -0.00001   0.00018  -0.00029  -0.00011   2.79861
   A156       2.42067   0.00000   0.00011  -0.00013  -0.00002   2.42065
   A157       2.13209   0.00002   0.00041  -0.00005   0.00036   2.13245
   A158       1.83799   0.00002   0.00058   0.00004   0.00060   1.83858
   A159       2.16402   0.00000  -0.00017  -0.00021  -0.00037   2.16365
   A160       1.37417  -0.00007  -0.00518  -0.00201  -0.00717   1.36700
   A161       1.66469  -0.00003  -0.00327  -0.00132  -0.00452   1.66017
   A162       2.06182   0.00001  -0.00278  -0.00056  -0.00336   2.05847
   A163       2.32333  -0.00001  -0.00265  -0.00067  -0.00331   2.32002
   A164       1.57735  -0.00006   0.00043  -0.00033   0.00024   1.57758
   A165       1.72917   0.00000  -0.00741  -0.00325  -0.01088   1.71829
   A166       2.11476   0.00001   0.00057   0.00010   0.00068   2.11545
   A167       1.82469   0.00002   0.00051   0.00024   0.00077   1.82546
   A168       1.43524   0.00003   0.00072   0.00032   0.00104   1.43628
   A169       1.15918   0.00003   0.00070   0.00030   0.00099   1.16017
   A170       1.84808   0.00002   0.00051   0.00025   0.00078   1.84885
   A171       2.13751  -0.00008  -0.00501  -0.00214  -0.00715   2.13036
   A172       2.41530  -0.00005  -0.00352  -0.00173  -0.00516   2.41013
   A173       2.82539  -0.00001  -0.00251  -0.00076  -0.00332   2.82207
   A174       2.19199  -0.00004  -0.00048  -0.00065  -0.00102   2.19097
   A175       2.17383  -0.00001  -0.00806  -0.00322  -0.01133   2.16250
   A176       2.20261   0.00001   0.00034   0.00022   0.00056   2.20317
   A177       1.99373   0.00002   0.00031   0.00031   0.00062   1.99435
   A178       1.58160   0.00003   0.00053   0.00039   0.00092   1.58252
   A179       1.33782   0.00003   0.00040   0.00030   0.00068   1.33851
   A180       2.10157   0.00002   0.00039   0.00029   0.00069   2.10226
   A181       2.05164  -0.00007  -0.00338  -0.00153  -0.00492   2.04672
   A182       2.41330  -0.00003  -0.00264  -0.00127  -0.00386   2.40944
   A183       2.73014   0.00001  -0.00347  -0.00079  -0.00428   2.72586
   A184       2.34028  -0.00006   0.00033  -0.00062  -0.00017   2.34011
   A185       2.40524  -0.00002  -0.00813  -0.00351  -0.01175   2.39349
   A186       0.68992  -0.00002  -0.00012  -0.00021  -0.00033   0.68960
   A187       0.98075  -0.00003  -0.00023  -0.00026  -0.00046   0.98028
   A188       0.69736   0.00000   0.00013  -0.00003   0.00010   0.69746
   A189       2.01814   0.00007   0.00376   0.00167   0.00539   2.02353
   A190       1.66670   0.00002   0.00222   0.00099   0.00315   1.66985
   A191       1.31498  -0.00001   0.00279   0.00069   0.00351   1.31849
   A192       1.02443  -0.00002   0.00185   0.00011   0.00196   1.02639
   A193       1.62177   0.00006  -0.00157   0.00006  -0.00164   1.62012
   A194       1.39201   0.00000   0.00516   0.00255   0.00799   1.39999
   A195       0.66650  -0.00001  -0.00017  -0.00004  -0.00019   0.66631
   A196       2.21666   0.00004   0.00186   0.00062   0.00240   2.21906
   A197       1.82262  -0.00001   0.00132   0.00028   0.00155   1.82417
   A198       1.55759  -0.00003   0.00313   0.00052   0.00366   1.56126
   A199       1.26476  -0.00006   0.00141  -0.00064   0.00078   1.26553
   A200       1.62942   0.00005  -0.00206  -0.00024  -0.00243   1.62699
   A201       1.34478  -0.00001   0.00247   0.00153   0.00430   1.34908
   A202       0.71043   0.00001  -0.00001   0.00004   0.00004   0.71047
   A203       2.62670   0.00003   0.00112   0.00028   0.00126   2.62796
   A204       2.22996  -0.00002   0.00083   0.00003   0.00081   2.23077
   A205       1.96707  -0.00003   0.00287   0.00046   0.00335   1.97042
   A206       1.67230  -0.00006   0.00133  -0.00058   0.00076   1.67306
   A207       1.97889   0.00004  -0.00246  -0.00048  -0.00305   1.97585
   A208       1.68047  -0.00002   0.00033   0.00066   0.00125   1.68172
   A209       0.83244   0.00000   0.00027   0.00019   0.00047   0.83291
   A210       2.74981   0.00000  -0.00201  -0.00111  -0.00326   2.74655
   A211       2.38781  -0.00003   0.00011  -0.00040  -0.00031   2.38750
   A212       2.21509  -0.00004   0.00309   0.00048   0.00360   2.21869
   A213       1.92717  -0.00007   0.00115  -0.00080   0.00039   1.92755
   A214       2.04123   0.00003  -0.00204  -0.00041  -0.00253   2.03870
   A215       1.74922  -0.00002  -0.00156  -0.00008  -0.00141   1.74781
   A216       1.94504   0.00001  -0.00056  -0.00052  -0.00114   1.94390
   A217       1.55874  -0.00003   0.00006  -0.00046  -0.00042   1.55832
   A218       1.42821  -0.00004   0.00294   0.00030   0.00324   1.43145
   A219       1.17675  -0.00009   0.00039  -0.00144  -0.00103   1.17572
   A220       1.26846   0.00003  -0.00245  -0.00052  -0.00308   1.26538
   A221       0.97031  -0.00002   0.00046   0.00069   0.00149   0.97180
   A222       0.70358   0.00008   0.00113   0.00106   0.00223   0.70581
   A223       0.99420   0.00009   0.00179   0.00156   0.00331   0.99752
   A224       0.70864  -0.00003   0.00007  -0.00066  -0.00048   0.70816
   A225       1.00219   0.00002  -0.00025  -0.00093  -0.00153   1.00066
   A226       0.66025   0.00003   0.00059   0.00074   0.00124   0.66149
   A227       0.66810  -0.00003   0.00250  -0.00005   0.00231   0.67040
   A228       0.70108   0.00001   0.00100   0.00036   0.00132   0.70240
   A229       0.81192   0.00000   0.00850   0.00257   0.01101   0.82293
   A230       0.81243   0.00000  -0.00225  -0.00099  -0.00333   0.80910
   A231       0.80238  -0.00006   0.00632   0.00139   0.00780   0.81018
   A232       1.69453  -0.00002  -0.00325  -0.00112  -0.00438   1.69015
   A233       1.80054   0.00002  -0.00313   0.00004  -0.00310   1.79744
   A234       2.19177  -0.00002  -0.00002  -0.00002  -0.00002   2.19175
   A235       2.12880   0.00000   0.00028   0.00019   0.00041   2.12921
   A236       1.96242   0.00001  -0.00030  -0.00016  -0.00043   1.96199
   A237       2.12334   0.00001  -0.00033   0.00002  -0.00027   2.12307
   A238       2.12182   0.00000   0.00015  -0.00005   0.00005   2.12187
   A239       2.03774  -0.00001   0.00007  -0.00001   0.00004   2.03778
   A240       1.73395   0.00000   0.00389   0.00129   0.00519   1.73914
   A241       2.63093  -0.00001  -0.00323  -0.00120  -0.00446   2.62647
   A242       1.91182  -0.00001  -0.00015  -0.00007  -0.00021   1.91160
   A243       1.91407  -0.00002   0.00091  -0.00012   0.00080   1.91487
   A244       1.92380   0.00000  -0.00098  -0.00020  -0.00122   1.92258
   A245       1.90784   0.00001   0.00013   0.00022   0.00035   1.90818
   A246       1.91115   0.00000  -0.00028  -0.00007  -0.00034   1.91080
   A247       1.89502   0.00001   0.00038   0.00024   0.00065   1.89567
   A248       1.36397   0.00002  -0.00151   0.00011  -0.00139   1.36259
   A249       1.90717   0.00002   0.00017   0.00013   0.00030   1.90747
   A250       1.90758   0.00002  -0.00030  -0.00003  -0.00034   1.90725
   A251       1.93017  -0.00001   0.00009  -0.00004   0.00005   1.93022
   A252       1.91033   0.00000  -0.00035  -0.00007  -0.00041   1.90993
   A253       1.89573   0.00000   0.00007  -0.00003   0.00004   1.89578
   A254       1.91272  -0.00002   0.00031   0.00003   0.00035   1.91307
   A255       1.71679   0.00000   0.00016  -0.00004   0.00013   1.71692
   A256       1.78106   0.00000  -0.00027   0.00014  -0.00013   1.78093
   A257       2.19037  -0.00001   0.00007  -0.00005   0.00002   2.19039
   A258       2.12995   0.00000  -0.00008   0.00006  -0.00003   2.12992
   A259       1.96267   0.00000   0.00001   0.00000   0.00000   1.96268
   A260       2.12302  -0.00002   0.00002  -0.00012  -0.00011   2.12292
   A261       2.12427   0.00002  -0.00012  -0.00001  -0.00010   2.12417
   A262       2.03584  -0.00001   0.00009   0.00013   0.00020   2.03604
   A263       1.35112  -0.00003  -0.00110  -0.00152  -0.00261   1.34851
   A264       1.90121  -0.00006   0.00020  -0.00020   0.00000   1.90121
   A265       1.93125   0.00001   0.00007   0.00012   0.00019   1.93144
   A266       1.90963  -0.00001  -0.00002  -0.00008  -0.00009   1.90954
   A267       1.89782   0.00002  -0.00010   0.00017   0.00006   1.89788
   A268       1.91314   0.00002  -0.00014   0.00002  -0.00012   1.91302
   A269       1.91067   0.00002  -0.00001  -0.00003  -0.00005   1.91063
   A270       2.63453   0.00001  -0.00114  -0.00019  -0.00133   2.63320
   A271       1.72979  -0.00001   0.00116   0.00024   0.00140   1.73119
   A272       1.92350   0.00001   0.00017  -0.00004   0.00014   1.92365
   A273       1.91593   0.00000   0.00014  -0.00003   0.00010   1.91603
   A274       1.91437  -0.00001  -0.00005   0.00001  -0.00005   1.91432
   A275       1.89436   0.00001  -0.00018   0.00001  -0.00017   1.89419
   A276       1.91025   0.00000  -0.00008   0.00000  -0.00008   1.91016
   A277       1.90521   0.00000   0.00000   0.00005   0.00006   1.90527
   A278       1.82222  -0.00002  -0.00165  -0.00037  -0.00201   1.82021
   A279       1.74581   0.00006   0.00141   0.00130   0.00271   1.74851
   A280       2.18977  -0.00003   0.00001  -0.00013  -0.00012   2.18965
   A281       2.13063  -0.00002  -0.00002   0.00003   0.00001   2.13064
   A282       1.96269   0.00004   0.00001   0.00011   0.00011   1.96280
   A283       2.12163  -0.00004   0.00010  -0.00010   0.00000   2.12163
   A284       2.11524   0.00001  -0.00020   0.00003  -0.00017   2.11507
   A285       2.04210   0.00003   0.00015   0.00003   0.00019   2.04229
   A286       2.70720  -0.00005  -0.00105  -0.00103  -0.00208   2.70512
   A287       1.65258   0.00004   0.00137   0.00097   0.00234   1.65492
   A288       1.92650  -0.00001  -0.00035  -0.00008  -0.00044   1.92606
   A289       1.91466  -0.00003   0.00010  -0.00002   0.00010   1.91476
   A290       1.91162   0.00002  -0.00015   0.00006  -0.00009   1.91154
   A291       1.89214  -0.00001   0.00051  -0.00007   0.00043   1.89257
   A292       1.91209   0.00001  -0.00005   0.00008   0.00003   1.91212
   A293       1.90662   0.00002  -0.00006   0.00003  -0.00002   1.90660
   A294       1.36011  -0.00003  -0.00295  -0.00169  -0.00464   1.35547
   A295       1.14724   0.00001   0.00139   0.00076   0.00215   1.14939
   A296       1.93310  -0.00001   0.00011  -0.00003   0.00009   1.93319
   A297       1.90655   0.00000  -0.00021   0.00026   0.00004   1.90659
   A298       1.90171   0.00001  -0.00009  -0.00015  -0.00026   1.90145
   A299       1.90946   0.00002  -0.00006   0.00005  -0.00002   1.90944
   A300       1.89837  -0.00001   0.00012   0.00004   0.00016   1.89853
   A301       1.91459  -0.00001   0.00014  -0.00016  -0.00002   1.91457
   A302       1.79731  -0.00031  -0.01597  -0.00770  -0.02340   1.77390
   A303       1.66355   0.00021   0.01753   0.00773   0.02523   1.68878
   A304       2.19632  -0.00009   0.00021  -0.00095  -0.00099   2.19533
   A305       2.12927   0.00001   0.00006  -0.00079  -0.00026   2.12901
   A306       1.95739   0.00008  -0.00020   0.00171   0.00128   1.95867
   A307       2.13101  -0.00002  -0.00120  -0.00032  -0.00144   2.12957
   A308       2.12302  -0.00009   0.00107  -0.00018   0.00086   2.12388
   A309       2.02888   0.00011   0.00001   0.00051   0.00015   2.02903
   A310       1.61915  -0.00027  -0.01725  -0.00841  -0.02548   1.59367
   A311       2.74219   0.00020   0.01776   0.00766   0.02508   2.76728
   A312       1.91030  -0.00008   0.00039  -0.00048   0.00028   1.91058
   A313       1.91766   0.00000   0.00002  -0.00023  -0.00104   1.91662
   A314       1.91328  -0.00005   0.00177   0.00028   0.00167   1.91495
   A315       1.91383   0.00007  -0.00131   0.00036  -0.00077   1.91305
   A316       1.91747   0.00005  -0.00150   0.00059  -0.00091   1.91656
   A317       1.89122   0.00001   0.00064  -0.00052   0.00076   1.89198
   A318       1.59380  -0.00012   0.03686   0.01082   0.04762   1.64141
   A319       1.91734  -0.00003  -0.00070   0.00014  -0.00151   1.91584
   A320       1.92067  -0.00036   0.00320  -0.00146   0.00087   1.92155
   A321       1.92025   0.00026  -0.00202   0.00076  -0.00063   1.91962
   A322       1.90628  -0.00001   0.00151  -0.00126   0.00119   1.90748
   A323       1.90882   0.00008  -0.00138   0.00093  -0.00029   1.90854
   A324       1.89017   0.00007  -0.00061   0.00090   0.00039   1.89056
   A325       2.91438   0.00001  -0.00015   0.00018   0.00003   2.91441
   A326       3.30978   0.00008   0.00083   0.00187   0.00265   3.31243
   A327       3.02684   0.00009   0.00085   0.00193   0.00274   3.02958
   A328       3.27670   0.00001  -0.00120   0.00015  -0.00104   3.27565
   A329       3.26179  -0.00001  -0.00110  -0.00155  -0.00265   3.25914
   A330       3.26956  -0.00001  -0.00302  -0.00165  -0.00466   3.26490
   A331       3.50262  -0.00004   0.03548   0.01175   0.04733   3.54995
   A332       3.21370   0.00000   0.00108   0.00025   0.00133   3.21502
   A333       3.11325   0.00000  -0.00260  -0.00047  -0.00307   3.11018
   A334       3.06469   0.00000  -0.00234  -0.00058  -0.00292   3.06177
   A335       3.22788   0.00000   0.00004   0.00035   0.00039   3.22827
   A336       3.07322   0.00000  -0.00018   0.00049   0.00031   3.07353
   A337       3.10152  -0.00001   0.00013   0.00000   0.00012   3.10164
   A338       3.02868  -0.00012  -0.01123  -0.00047  -0.01123   3.01744
    D1        2.74388  -0.00001   0.00020   0.00014   0.00033   2.74421
    D2       -1.35339  -0.00001  -0.00176  -0.00006  -0.00182  -1.35521
    D3        2.72272  -0.00002   0.00222   0.00065   0.00285   2.72557
    D4       -1.37455  -0.00001   0.00026   0.00045   0.00070  -1.37385
    D5        1.61977  -0.00001   0.00157   0.00043   0.00197   1.62174
    D6       -2.47749  -0.00001  -0.00038   0.00023  -0.00018  -2.47768
    D7        1.77624  -0.00002   0.00161   0.00032   0.00190   1.77814
    D8       -2.32103  -0.00002  -0.00035   0.00011  -0.00025  -2.32128
    D9        0.23740   0.00001   0.00132   0.00082   0.00214   0.23954
   D10        2.42332   0.00001  -0.00063   0.00061  -0.00002   2.42331
   D11       -0.02962  -0.00001   0.00117   0.00053   0.00168  -0.02794
   D12        2.15629   0.00000  -0.00078   0.00032  -0.00047   2.15582
   D13       -0.49098  -0.00001   0.00114   0.00040   0.00152  -0.48946
   D14        1.69493  -0.00001  -0.00081   0.00019  -0.00063   1.69431
   D15       -0.61422   0.00000   0.00103   0.00053   0.00153  -0.61269
   D16        1.57170   0.00000  -0.00092   0.00032  -0.00062   1.57108
   D17        0.15360  -0.00001   0.00091   0.00027   0.00116   0.15476
   D18        2.33952  -0.00001  -0.00105   0.00007  -0.00099   2.33853
   D19        0.10504  -0.00002   0.00117   0.00017   0.00131   0.10635
   D20        2.29096  -0.00002  -0.00078  -0.00004  -0.00084   2.29012
   D21        2.28742  -0.00001   0.00142   0.00039   0.00179   2.28920
   D22       -1.80985  -0.00001  -0.00053   0.00018  -0.00037  -1.81022
   D23        2.03314   0.00000   0.00122   0.00054   0.00174   2.03489
   D24       -2.06413   0.00000  -0.00073   0.00033  -0.00041  -2.06454
   D25        1.59578   0.00002   0.00144   0.00061   0.00203   1.59780
   D26       -2.50149   0.00002  -0.00051   0.00040  -0.00013  -2.50162
   D27        1.28842   0.00002   0.00144   0.00064   0.00205   1.29047
   D28       -2.80885   0.00002  -0.00051   0.00043  -0.00011  -2.80895
   D29        2.22101   0.00000   0.00130   0.00071   0.00199   2.22300
   D30       -1.87626   0.00000  -0.00065   0.00050  -0.00016  -1.87642
   D31       -1.98248   0.00006   0.00587   0.00240   0.00824  -1.97425
   D32        0.20343   0.00006   0.00392   0.00219   0.00608   0.20952
   D33       -2.29358   0.00002   0.00423   0.00171   0.00585  -2.28773
   D34       -0.10766   0.00002   0.00228   0.00150   0.00370  -0.10396
   D35       -2.67983  -0.00001   0.00399   0.00108   0.00506  -2.67477
   D36       -0.49392  -0.00001   0.00204   0.00087   0.00291  -0.49101
   D37       -2.95965  -0.00002   0.00351   0.00074   0.00423  -2.95542
   D38       -0.77374  -0.00002   0.00156   0.00054   0.00208  -0.77165
   D39       -2.24096   0.00005   0.00046   0.00070   0.00097  -2.24000
   D40       -0.05505   0.00006  -0.00149   0.00049  -0.00119  -0.05623
   D41       -2.49945  -0.00003   0.00999   0.00440   0.01496  -2.48449
   D42       -0.31353  -0.00003   0.00804   0.00419   0.01280  -0.30073
   D43        1.33488   0.00001  -0.00339  -0.00091  -0.00428   1.33060
   D44       -1.97408   0.00000   0.00135  -0.00051   0.00085  -1.97323
   D45        2.48640  -0.00001  -0.00179  -0.00068  -0.00248   2.48392
   D46       -0.82256  -0.00001   0.00295  -0.00029   0.00265  -0.81991
   D47        2.94883  -0.00001  -0.00153  -0.00071  -0.00225   2.94659
   D48       -0.36012  -0.00001   0.00321  -0.00032   0.00289  -0.35724
   D49        2.83337   0.00002  -0.00341  -0.00058  -0.00399   2.82937
   D50       -0.47559   0.00001   0.00133  -0.00019   0.00114  -0.47445
   D51        2.02058   0.00001  -0.00209  -0.00029  -0.00239   2.01819
   D52       -1.28837   0.00001   0.00265   0.00010   0.00274  -1.28563
   D53        1.15831  -0.00001  -0.00163  -0.00050  -0.00213   1.15618
   D54       -2.15065  -0.00001   0.00311  -0.00011   0.00301  -2.14765
   D55        1.03928   0.00001  -0.00226  -0.00044  -0.00271   1.03658
   D56       -2.26968   0.00001   0.00248  -0.00005   0.00243  -2.26725
   D57        2.03081  -0.00001  -0.00280  -0.00078  -0.00360   2.02721
   D58       -1.27815  -0.00001   0.00194  -0.00039   0.00153  -1.27661
   D59        1.86093  -0.00001  -0.00259  -0.00087  -0.00348   1.85746
   D60       -1.44802  -0.00001   0.00215  -0.00048   0.00166  -1.44637
   D61       -2.30861   0.00000  -0.00202  -0.00063  -0.00265  -2.31126
   D62        0.66562   0.00000   0.00272  -0.00023   0.00248   0.66810
   D63       -2.43017   0.00000  -0.00241  -0.00061  -0.00302  -2.43319
   D64        0.54406   0.00000   0.00233  -0.00021   0.00211   0.54617
   D65       -2.83029   0.00001  -0.00227  -0.00053  -0.00281  -2.83309
   D66        0.14394   0.00001   0.00247  -0.00013   0.00233   0.14627
   D67       -3.00367   0.00001  -0.00269  -0.00069  -0.00341  -3.00708
   D68       -0.02945   0.00001   0.00205  -0.00030   0.00173  -0.02772
   D69       -2.14377   0.00001  -0.00249  -0.00054  -0.00303  -2.14680
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   D71       -0.20278   0.00003  -0.00154  -0.00041  -0.00198  -0.20476
   D72        2.77145   0.00003   0.00320  -0.00001   0.00315   2.77460
   D73       -0.60050  -0.00001  -0.00148  -0.00053  -0.00205  -0.60255
   D74        2.37372  -0.00001   0.00326  -0.00013   0.00309   2.37681
   D75       -0.83721  -0.00002   0.00106  -0.00001   0.00106  -0.83616
   D76        2.13701  -0.00002   0.00580   0.00038   0.00619   2.14320
   D77       -1.15865  -0.00005  -0.00057  -0.00112  -0.00170  -1.16035
   D78        1.81557  -0.00005   0.00417  -0.00073   0.00343   1.81901
   D79       -0.82360   0.00005  -0.00477  -0.00097  -0.00588  -0.82948
   D80        2.15063   0.00005  -0.00003  -0.00058  -0.00075   2.14988
   D81       -1.13348  -0.00002  -0.00150   0.00034  -0.00088  -1.13437
   D82        1.84074  -0.00002   0.00324   0.00073   0.00425   1.84499
   D83       -1.50125  -0.00001   0.00006   0.00027   0.00032  -1.50093
   D84       -2.59715  -0.00001   0.00011   0.00025   0.00036  -2.59680
   D85       -2.95991  -0.00001   0.00120   0.00064   0.00184  -2.95807
   D86        0.71027   0.00001  -0.00034   0.00043   0.00009   0.71037
   D87        0.29206   0.00000  -0.00032   0.00039   0.00007   0.29213
   D88       -0.08966   0.00000   0.00013   0.00057   0.00071  -0.08895
   D89       -0.41786   0.00001  -0.00022   0.00051   0.00030  -0.41756
   D90        0.17683  -0.00001  -0.00087   0.00014  -0.00074   0.17609
   D91       -0.04849  -0.00001  -0.00084   0.00010  -0.00074  -0.04922
   D92        2.35861   0.00000  -0.00005   0.00021   0.00017   2.35878
   D93        2.01423   0.00001  -0.00027   0.00037   0.00011   2.01434
   D94        1.61636   0.00002  -0.00007   0.00044   0.00038   1.61674
   D95        1.33221   0.00002  -0.00020   0.00041   0.00020   1.33241
   D96        2.02400   0.00001  -0.00040   0.00042   0.00004   2.02403
   D97       -2.05419   0.00007   0.00291   0.00165   0.00458  -2.04961
   D98       -2.52903  -0.00001   0.00069   0.00054   0.00120  -2.52783
   D99       -2.77142  -0.00002   0.00276   0.00083   0.00361  -2.76781
   D100      -3.05454  -0.00007   0.00040  -0.00077  -0.00035  -3.05489
   D101      -2.89101   0.00007  -0.00541  -0.00046  -0.00608  -2.89709
   D102       2.87529  -0.00004  -0.00646  -0.00101  -0.00735   2.86793
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   D105       2.87270  -0.00001  -0.00150  -0.00085  -0.00235   2.87036
   D106       0.68364  -0.00001  -0.00138  -0.00095  -0.00232   0.68132
   D107       2.38418  -0.00001  -0.00004  -0.00059  -0.00062   2.38356
   D108       0.19512  -0.00001   0.00008  -0.00068  -0.00060   0.19452
   D109       1.79375   0.00000  -0.00025  -0.00018  -0.00041   1.79334
   D110      -0.39532   0.00000  -0.00013  -0.00028  -0.00039  -0.39571
   D111       2.62884   0.00000  -0.00135  -0.00060  -0.00195   2.62689
   D112       0.43977   0.00000  -0.00123  -0.00070  -0.00192   0.43785
   D113       2.29865   0.00001  -0.00138  -0.00047  -0.00184   2.29680
   D114       0.10958   0.00000  -0.00126  -0.00057  -0.00182   0.10776
   D115      -1.61052   0.00001   0.00001   0.00014   0.00015  -1.61037
   D116       2.48360   0.00001   0.00013   0.00004   0.00017   2.48378
   D117      -1.77233   0.00000  -0.00026  -0.00029  -0.00054  -1.77287
   D118       2.32179   0.00000  -0.00014  -0.00038  -0.00052   2.32128
   D119      -2.73562   0.00001  -0.00004   0.00009   0.00005  -2.73557
   D120       1.35850   0.00001   0.00008  -0.00001   0.00008   1.35858
   D121      -2.71182   0.00002  -0.00055   0.00000  -0.00054  -2.71236
   D122       1.38230   0.00001  -0.00042  -0.00009  -0.00051   1.38179
   D123       1.38515   0.00000  -0.00093  -0.00046  -0.00139   1.38377
   D124      -0.80391   0.00000  -0.00081  -0.00056  -0.00136  -0.80527
   D125       1.35039   0.00001  -0.00102  -0.00057  -0.00158   1.34881
   D126      -0.83867   0.00000  -0.00089  -0.00066  -0.00156  -0.84023
   D127       1.70507   0.00000  -0.00133  -0.00071  -0.00204   1.70303
   D128      -0.48400   0.00000  -0.00121  -0.00081  -0.00201  -0.48601
   D129       1.82514   0.00001  -0.00100  -0.00052  -0.00152   1.82362
   D130      -0.36393   0.00001  -0.00088  -0.00062  -0.00149  -0.36542
   D131       0.94723   0.00000  -0.00128  -0.00076  -0.00204   0.94519
   D132      -1.24183   0.00000  -0.00116  -0.00086  -0.00202  -1.24385
   D133      -0.87854  -0.00003  -0.00184  -0.00064  -0.00244  -0.88098
   D134      -3.06760  -0.00003  -0.00172  -0.00074  -0.00241  -3.07002
   D135      -0.42353   0.00001  -0.00268  -0.00090  -0.00352  -0.42705
   D136      -2.61259   0.00001  -0.00255  -0.00100  -0.00349  -2.61609
   D137      -0.04448   0.00002  -0.00508  -0.00118  -0.00630  -0.05078
   D138      -2.23354   0.00002  -0.00496  -0.00127  -0.00628  -2.23982
   D139       0.34749   0.00001  -0.00363  -0.00080  -0.00442   0.34307
   D140      -1.84158   0.00001  -0.00351  -0.00090  -0.00440  -1.84597
   D141      -0.26297  -0.00005   0.00092  -0.00038   0.00067  -0.26229
   D142      -2.45203  -0.00005   0.00104  -0.00048   0.00070  -2.45133
   D143       0.00410   0.00001  -0.00460  -0.00251  -0.00738  -0.00328
   D144      -2.18496   0.00001  -0.00448  -0.00260  -0.00736  -2.19232
   D145      -2.48431  -0.00002  -0.00056   0.00003  -0.00055  -2.48485
   D146      -2.71055  -0.00001  -0.00132  -0.00017  -0.00149  -2.71204
   D147      -2.36379  -0.00001  -0.00173  -0.00024  -0.00198  -2.36576
   D148       3.03174  -0.00001  -0.00147  -0.00019  -0.00164   3.03009
   D149       2.66364  -0.00001  -0.00160  -0.00030  -0.00189   2.66175
   D150       1.51485   0.00000   0.00038   0.00062   0.00100   1.51585
   D151       2.61338   0.00002   0.00019   0.00053   0.00075   2.61413
   D152       2.97775   0.00001  -0.00018   0.00043   0.00027   2.97801
   D153       1.27712  -0.00002  -0.00116  -0.00028  -0.00143   1.27569
   D154       1.30566  -0.00002  -0.00081  -0.00018  -0.00098   1.30468
   D155       1.68374  -0.00001  -0.00091  -0.00022  -0.00112   1.68262
   D156       1.74457  -0.00001  -0.00034   0.00010  -0.00023   1.74434
   D157       0.94029  -0.00002  -0.00088  -0.00021  -0.00108   0.93920
   D158      -1.00581  -0.00001   0.00142   0.00108   0.00253  -1.00328
   D159      -0.66071   0.00003   0.00014   0.00085   0.00099  -0.65973
   D160      -0.63604   0.00003  -0.00377  -0.00019  -0.00395  -0.64000
   D161      -0.34822   0.00010  -0.00113   0.00207   0.00091  -0.34730
   D162      -0.29613  -0.00004   0.00173   0.00052   0.00233  -0.29379
   D163      -0.00490   0.00001   0.00142   0.00028   0.00148  -0.00342
   D164      -1.25605  -0.00003   0.00062  -0.00100  -0.00041  -1.25645
   D165       1.70141  -0.00003   0.00014  -0.00050  -0.00038   1.70103
   D166      -1.61511  -0.00001  -0.00015  -0.00109  -0.00124  -1.61635
   D167       1.34235  -0.00001  -0.00063  -0.00059  -0.00122   1.34114
   D168      -1.67911  -0.00001   0.00019  -0.00105  -0.00085  -1.67996
   D169       1.27835  -0.00001  -0.00029  -0.00054  -0.00083   1.27752
   D170      -1.96356  -0.00001   0.00191  -0.00051   0.00142  -1.96214
   D171       0.99390  -0.00001   0.00143  -0.00001   0.00144   0.99534
   D172      -1.96879  -0.00001  -0.00032  -0.00105  -0.00137  -1.97016
   D173       0.98867  -0.00001  -0.00081  -0.00055  -0.00134   0.98732
   D174      -2.26908  -0.00001  -0.00026  -0.00101  -0.00126  -2.27034
   D175       0.68838  -0.00001  -0.00074  -0.00051  -0.00124   0.68714
   D176       1.98302   0.00000   0.00117  -0.00036   0.00082   1.98384
   D177      -1.34271   0.00000   0.00069   0.00014   0.00084  -1.34187
   D178       0.83639   0.00001   0.00104  -0.00041   0.00065   0.83704
   D179      -2.48933   0.00001   0.00056   0.00009   0.00067  -2.48867
   D180       0.37152   0.00001   0.00083  -0.00067   0.00019   0.37171
   D181      -2.95421   0.00001   0.00035  -0.00017   0.00021  -2.95400
   D182      -3.05914   0.00000   0.00039  -0.00107  -0.00066  -3.05980
   D183      -0.10168   0.00000  -0.00009  -0.00057  -0.00064  -0.10232
   D184       2.95657   0.00000   0.00034  -0.00099  -0.00064   2.95593
   D185      -0.36916   0.00000  -0.00014  -0.00049  -0.00062  -0.36977
   D186       3.09938   0.00000   0.00025  -0.00105  -0.00080   3.09859
   D187      -0.22634   0.00000  -0.00023  -0.00055  -0.00077  -0.22712
   D188       2.99363   0.00000   0.00085  -0.00075   0.00008   2.99371
   D189      -0.33210   0.00000   0.00037  -0.00025   0.00010  -0.33200
   D190       2.51546  -0.00001   0.00009  -0.00116  -0.00107   2.51439
   D191      -0.81027  -0.00001  -0.00039  -0.00065  -0.00105  -0.81132
   D192       0.26101   0.00001   0.00487   0.00124   0.00607   0.26708
   D193      -3.06471   0.00002   0.00439   0.00174   0.00610  -3.05862
   D194       0.63835   0.00005   0.00165   0.00041   0.00201   0.64035
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   D199      -2.20314  -0.00006   0.00238  -0.00007   0.00242  -2.20072
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   D201      -1.83736   0.00000  -0.00202  -0.00192  -0.00421  -1.84157
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   D203      -0.56835   0.00002  -0.00029  -0.00060  -0.00089  -0.56924
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   D205      -0.53061   0.00001   0.00009  -0.00054  -0.00045  -0.53107
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   D207      -0.88626   0.00002   0.00041  -0.00042  -0.00001  -0.88627
   D208       1.17286   0.00002  -0.00098  -0.00023  -0.00121   1.17165
   D209      -1.04420   0.00002  -0.00092  -0.00070  -0.00161  -1.04581
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   D211      -0.11370   0.00001   0.00018  -0.00061  -0.00044  -0.11414
   D212       2.21566   0.00002   0.00002  -0.00009  -0.00008   2.21558
   D213      -0.00140   0.00001   0.00008  -0.00056  -0.00048  -0.00188
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   D218      -2.07696   0.00003   0.00008   0.00023   0.00031  -2.07666
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   D220      -2.27553   0.00000   0.00071   0.00012   0.00083  -2.27470
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   D232       0.07000  -0.00003  -0.00565  -0.00261  -0.00832   0.06168
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   D249      -0.60831   0.00002   0.00130   0.00036   0.00167  -0.60664
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   D251      -0.84442   0.00002   0.00071   0.00031   0.00102  -0.84340
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   D259       1.98800   0.00002   0.00061   0.00025   0.00086   1.98886
   D260      -0.78345   0.00003  -0.00180   0.00016  -0.00164  -0.78510
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   D266      -1.58253   0.00001  -0.00229  -0.00008  -0.00237  -1.58491
   D267       1.33340   0.00001   0.00063   0.00037   0.00099   1.33439
   D268       1.97460   0.00001  -0.00211  -0.00018  -0.00228   1.97232
   D269      -1.39265   0.00000   0.00081   0.00028   0.00108  -1.39157
   D270       0.85726   0.00000  -0.00242  -0.00024  -0.00266   0.85460
   D271      -2.50999  -0.00001   0.00049   0.00021   0.00071  -2.50929
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   D277      -1.74670  -0.00001   0.00138   0.00003   0.00140  -1.74530
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   D279      -1.72890  -0.00007  -0.00105  -0.00164  -0.00267  -1.73157
   D280       0.85578  -0.00002  -0.00282  -0.00083  -0.00355   0.85224
   D281      -2.51147  -0.00002   0.00009  -0.00037  -0.00019  -2.51165
   D282       0.83125   0.00000  -0.01040  -0.00349  -0.01397   0.81728
   D283      -2.53600   0.00000  -0.00749  -0.00303  -0.01061  -2.54661
   D284       1.62519   0.00001   0.00099   0.00064   0.00163   1.62682
   D285      -2.59279   0.00001   0.00234   0.00114   0.00347  -2.58932
   D286       1.63797   0.00001   0.00130   0.00084   0.00214   1.64011
   D287      -2.58001   0.00001   0.00264   0.00134   0.00398  -2.57603
   D288       1.29066   0.00002   0.00156   0.00101   0.00256   1.29322
   D289      -2.92732   0.00002   0.00290   0.00151   0.00440  -2.92292
   D290       1.21383   0.00003   0.00025   0.00074   0.00100   1.21483
   D291      -3.00415   0.00003   0.00160   0.00124   0.00284  -3.00131
   D292       2.01679   0.00001   0.00122   0.00083   0.00204   2.01883
   D293      -2.20119   0.00001   0.00256   0.00133   0.00388  -2.19731
   D294       2.00003   0.00002   0.00098   0.00096   0.00193   2.00196
   D295      -2.21795   0.00002   0.00232   0.00146   0.00377  -2.21418
   D296      -2.31807   0.00002   0.00035   0.00051   0.00085  -2.31722
   D297      -0.25287   0.00002   0.00170   0.00101   0.00270  -0.25017
   D298      -2.31330   0.00002   0.00083   0.00082   0.00165  -2.31165
   D299      -0.24810   0.00002   0.00218   0.00132   0.00349  -0.24461
   D300      -1.93342   0.00003   0.00114   0.00104   0.00217  -1.93125
   D301       0.13178   0.00003   0.00248   0.00154   0.00401   0.13580
   D302      -1.88771   0.00002   0.00136   0.00093   0.00229  -1.88542
   D303       0.17749   0.00001   0.00270   0.00143   0.00413   0.18162
   D304      -2.66763   0.00001   0.00108   0.00101   0.00208  -2.66555
   D305      -0.60243   0.00001   0.00243   0.00151   0.00392  -0.59851
   D306      -2.81464   0.00002   0.00097   0.00117   0.00213  -2.81251
   D307      -0.74944   0.00002   0.00231   0.00167   0.00397  -0.74546
   D308       1.52327   0.00003   0.00083   0.00114   0.00197   1.52524
   D309      -2.69471   0.00003   0.00218   0.00164   0.00381  -2.69090
   D310       2.62268  -0.00002   0.00054   0.00077   0.00131   2.62398
   D311      -1.59530  -0.00002   0.00188   0.00127   0.00315  -1.59216
   D312       3.00877  -0.00002   0.00003   0.00050   0.00054   3.00932
   D313      -1.20921  -0.00002   0.00137   0.00100   0.00238  -1.20682
   D314      -0.30525  -0.00006  -0.00568  -0.00206  -0.00773  -0.31298
   D315       1.75996  -0.00006  -0.00433  -0.00156  -0.00589   1.75406
   D316      -0.21177  -0.00005  -0.00256  -0.00099  -0.00348  -0.21525
   D317       1.85343  -0.00005  -0.00122  -0.00049  -0.00163   1.85180
   D318       0.18116   0.00000  -0.00004   0.00042   0.00034   0.18150
   D319       2.24636   0.00000   0.00130   0.00092   0.00219   2.24855
   D320       0.34219  -0.00004  -0.00162  -0.00064  -0.00225   0.33994
   D321       2.40740  -0.00004  -0.00028  -0.00014  -0.00041   2.40699
   D322      -0.52033  -0.00003   0.00015   0.00021   0.00044  -0.51989
   D323       1.54487  -0.00003   0.00150   0.00071   0.00228   1.54716
   D324      -0.55025  -0.00001  -0.00907  -0.00312  -0.01228  -0.56252
   D325       1.51496  -0.00001  -0.00773  -0.00262  -0.01043   1.50452
   D326      -0.08899   0.00000   0.01062   0.00309   0.01372  -0.07526
   D327       2.08536   0.00000   0.01267   0.00282   0.01544   2.10080
   D328       0.25061  -0.00002   0.01050   0.00284   0.01333   0.26394
   D329       2.42495  -0.00002   0.01256   0.00257   0.01505   2.44001
   D330       0.60673  -0.00001   0.01057   0.00292   0.01351   0.62024
   D331       2.78108  -0.00002   0.01263   0.00265   0.01523   2.79630
   D332       0.89201  -0.00001   0.01040   0.00277   0.01320   0.90521
   D333       3.06635  -0.00002   0.01246   0.00250   0.01493   3.08128
   D334       0.26421  -0.00005   0.00919   0.00223   0.01141   0.27562
   D335       2.43856  -0.00005   0.01125   0.00196   0.01313   2.45169
   D336       0.61598  -0.00005   0.01063   0.00266   0.01333   0.62931
   D337       2.79032  -0.00005   0.01269   0.00239   0.01505   2.80538
   D338      -2.48131   0.00000   0.01146   0.00299   0.01445  -2.46686
   D339      -0.30696  -0.00001   0.01351   0.00272   0.01617  -0.29079
   D340      -2.07298  -0.00002   0.01021   0.00249   0.01275  -2.06023
   D341       0.10136  -0.00002   0.01226   0.00223   0.01447   0.11583
   D342      -2.02811  -0.00002   0.01061   0.00265   0.01331  -2.01480
   D343       0.14623  -0.00003   0.01267   0.00238   0.01503   0.16126
   D344      -1.74552  -0.00001   0.01126   0.00308   0.01441  -1.73111
   D345       0.42882  -0.00002   0.01332   0.00281   0.01614   0.44496
   D346      -1.66740  -0.00002   0.00849   0.00175   0.01034  -1.65706
   D347       0.50694  -0.00002   0.01055   0.00148   0.01206   0.51900
   D348      -1.35062  -0.00003   0.00823   0.00158   0.00989  -1.34073
   D349       0.82373  -0.00004   0.01028   0.00131   0.01161   0.83533
   D350       1.64356   0.00000   0.01297   0.00406   0.01712   1.66067
   D351      -2.46528   0.00000   0.01503   0.00379   0.01884  -2.44645
   D352       2.02441   0.00002   0.01505   0.00486   0.01998   2.04439
   D353      -2.08443   0.00002   0.01710   0.00459   0.02170  -2.06273
   D354       2.11869   0.00006   0.02102   0.00765   0.02877   2.14746
   D355      -1.99015   0.00005   0.02307   0.00738   0.03049  -1.95966
   D356       2.74210   0.00010   0.02319   0.00827   0.03126   2.77337
   D357      -1.36674   0.00010   0.02525   0.00800   0.03299  -1.33375
   D358       2.40334   0.00001   0.01322   0.00399   0.01723   2.42056
   D359      -1.70550   0.00001   0.01528   0.00372   0.01895  -1.68656
   D360       1.60640  -0.00001   0.00329   0.00044   0.00379   1.61019
   D361      -2.50244  -0.00002   0.00535   0.00017   0.00551  -2.49693
   D362       1.67674   0.00007   0.00934   0.00376   0.01309   1.68983
   D363      -2.43210   0.00006   0.01140   0.00349   0.01481  -2.41729
   D364       2.72176  -0.00002   0.00412   0.00077   0.00478   2.72654
   D365      -1.38708  -0.00002   0.00618   0.00051   0.00650  -1.38058
   D366       2.64312  -0.00005   0.01666   0.00529   0.02217   2.66529
   D367      -1.46572  -0.00005   0.01871   0.00502   0.02389  -1.44183
   D368       0.03838   0.00003  -0.00009  -0.00015  -0.00020   0.03818
   D369      -2.90584   0.00003   0.01379   0.00642   0.02026  -2.88559
   D370       0.42808   0.00002   0.00095  -0.00001   0.00096   0.42904
   D371      -2.51614   0.00002   0.01484   0.00656   0.02142  -2.49473
   D372       0.59436   0.00001   0.00196   0.00020   0.00217   0.59653
   D373      -2.34986   0.00001   0.01584   0.00677   0.02263  -2.32724
   D374       0.88076   0.00000   0.00143  -0.00012   0.00132   0.88209
   D375      -2.06346   0.00000   0.01531   0.00644   0.02178  -2.04168
   D376       0.71718   0.00002   0.00003  -0.00027  -0.00024   0.71694
   D377      -2.22705   0.00002   0.01391   0.00630   0.02022  -2.20682
   D378       1.04032   0.00002   0.00031  -0.00023   0.00007   1.04039
   D379      -1.90391   0.00002   0.01419   0.00633   0.02053  -1.88338
   D380      -2.86763   0.00000   0.00324   0.00016   0.00346  -2.86417
   D381       0.47133   0.00000   0.01712   0.00673   0.02392   0.49525
   D382      -2.30281  -0.00002   0.00476   0.00036   0.00514  -2.29767
   D383       1.03615  -0.00002   0.01864   0.00693   0.02560   1.06175
   D384      -1.98499  -0.00001   0.00190  -0.00031   0.00159  -1.98340
   D385       1.35397  -0.00001   0.01578   0.00626   0.02205   1.37602
   D386      -1.62743  -0.00001   0.00129  -0.00032   0.00097  -1.62646
   D387       1.71153  -0.00001   0.01517   0.00625   0.02143   1.73296
   D388      -1.75887  -0.00003   0.00862   0.00070   0.00919  -1.74968
   D389       1.58009  -0.00004   0.02250   0.00727   0.02965   1.60974
   D390      -0.97410  -0.00004   0.00081  -0.00118  -0.00038  -0.97447
   D391       2.36486  -0.00004   0.01469   0.00539   0.02008   2.38494
   D392       1.78312   0.00001   0.00071  -0.00010   0.00061   1.78373
   D393      -1.16111   0.00000   0.01459   0.00647   0.02107  -1.14003
   D394       2.07867   0.00001   0.00035  -0.00019   0.00017   2.07884
   D395      -0.86556   0.00000   0.01423   0.00638   0.02063  -0.84493
   D396       2.01323   0.00001   0.00013  -0.00004   0.00011   2.01334
   D397      -0.93099   0.00000   0.01401   0.00653   0.02056  -0.91043
   D398       2.19641   0.00000  -0.00031  -0.00022  -0.00049   2.19592
   D399      -0.74782   0.00000   0.01357   0.00635   0.01997  -0.72785
   D400       2.48613   0.00001   0.00039  -0.00014   0.00027   2.48639
   D401      -0.45810   0.00001   0.01427   0.00643   0.02072  -0.43737
   D402      -1.39309  -0.00001  -0.00826  -0.00344  -0.01164  -1.40474
   D403       1.94587  -0.00001   0.00562   0.00313   0.00882   1.95468
   D404      -2.52703   0.00011  -0.00678  -0.00124  -0.00814  -2.53518
   D405       0.81193   0.00011   0.00711   0.00533   0.01231   0.82424
   D406      -2.93458   0.00001   0.00313   0.00216   0.00564  -2.92894
   D407       0.40438   0.00001   0.01702   0.00873   0.02610   0.43048
   D408       1.81190  -0.00005  -0.00910  -0.00182  -0.01070   1.80120
   D409       2.29544  -0.00006  -0.00727  -0.00147  -0.00853   2.28691
   D410       2.51132  -0.00003  -0.00837  -0.00152  -0.00974   2.50158
   D411       2.76086  -0.00002  -0.00962  -0.00187  -0.01138   2.74948
   D412       2.70894  -0.00008  -0.00468  -0.00105  -0.00545   2.70350
   D413      -3.10285  -0.00004  -0.00576  -0.00094  -0.00656  -3.10940
   D414      -0.85128  -0.00002  -0.00937  -0.00188  -0.01117  -0.86246
   D415      -0.47262  -0.00001  -0.00958  -0.00186  -0.01137  -0.48398
   D416      -0.15770  -0.00003  -0.00914  -0.00191  -0.01095  -0.16865
   D417       0.15139  -0.00003  -0.00918  -0.00191  -0.01100   0.14039
   D418      -0.34196   0.00002  -0.01031  -0.00182  -0.01208  -0.35404
   D419      -0.02045   0.00001  -0.01105  -0.00208  -0.01308  -0.03353
   D420      -2.65206  -0.00002  -0.00918  -0.00157  -0.01066  -2.66272
   D421      -2.27184  -0.00003  -0.00917  -0.00173  -0.01082  -2.28266
   D422      -2.04152  -0.00003  -0.00910  -0.00153  -0.01057  -2.05208
   D423      -1.72361  -0.00002  -0.00973  -0.00171  -0.01138  -1.73499
   D424      -2.04252  -0.00004  -0.00937  -0.00193  -0.01118  -2.05370
   D425       1.40927  -0.00008  -0.01788  -0.00494  -0.02285   1.38642
   D426       2.53070   0.00006  -0.01672  -0.00289  -0.01963   2.51107
   D427       2.93135   0.00011  -0.01225  -0.00048  -0.01277   2.91858
   D428      -3.09837   0.00002   0.00176   0.00108   0.00285  -3.09552
   D429       0.01661   0.00002  -0.00384  -0.00063  -0.00446   0.01214
   D430       0.02208   0.00002  -0.00022   0.00120   0.00098   0.02305
   D431       3.13705   0.00002  -0.00582  -0.00051  -0.00634   3.13071
   D432       0.01886   0.00000  -0.00988  -0.00303  -0.01292   0.00595
   D433       2.11267   0.00000  -0.00926  -0.00287  -0.01213   2.10053
   D434      -2.08508   0.00000  -0.00882  -0.00278  -0.01159  -2.09667
   D435      -3.09733   0.00000  -0.00454  -0.00140  -0.00594  -3.10327
   D436      -1.00353   0.00000  -0.00391  -0.00124  -0.00515  -1.00869
   D437       1.08191   0.00000  -0.00347  -0.00114  -0.00461   1.07730
   D438      -2.38909   0.00000   0.00641   0.00208   0.00847  -2.38062
   D439      -0.29902   0.00002   0.00590   0.00206   0.00795  -0.29107
   D440       1.80817   0.00000   0.00615   0.00206   0.00820   1.81637
   D441       0.72713   0.00000   0.00106   0.00044   0.00150   0.72862
   D442       2.81720   0.00002   0.00055   0.00042   0.00098   2.81818
   D443      -1.35879   0.00001   0.00080   0.00042   0.00122  -1.35757
   D444      -0.01191  -0.00001   0.00088   0.00033   0.00122  -0.01070
   D445       3.11807  -0.00001   0.00031   0.00031   0.00062   3.11868
   D446      -3.13238  -0.00001   0.00105   0.00010   0.00115  -3.13123
   D447      -0.00240  -0.00001   0.00048   0.00008   0.00056  -0.00184
   D448       2.43002   0.00002   0.00057   0.00132   0.00190   2.43192
   D449      -1.76776   0.00001   0.00062   0.00147   0.00209  -1.76567
   D450       0.33890   0.00004   0.00064   0.00146   0.00210   0.34100
   D451      -0.70052   0.00003   0.00112   0.00134   0.00247  -0.69805
   D452       1.38489   0.00002   0.00116   0.00150   0.00266   1.38755
   D453      -2.79164   0.00004   0.00118   0.00148   0.00267  -2.78897
   D454       2.07732   0.00000   0.00123   0.00011   0.00135   2.07867
   D455      -2.12025   0.00001   0.00120   0.00007   0.00129  -2.11896
   D456      -0.02694   0.00000   0.00126   0.00013   0.00139  -0.02555
   D457      -1.07533   0.00000   0.00069   0.00009   0.00078  -1.07455
   D458       1.01028   0.00001   0.00066   0.00005   0.00072   1.01100
   D459       3.10359   0.00000   0.00071   0.00011   0.00082   3.10441
   D460      -3.06773   0.00001  -0.00082   0.00004  -0.00078  -3.06852
   D461      -0.02760   0.00000  -0.00015  -0.00041  -0.00056  -0.02815
   D462       0.08827  -0.00002  -0.00064  -0.00028  -0.00093   0.08734
   D463       3.12841  -0.00003   0.00003  -0.00073  -0.00070   3.12771
   D464       1.91124   0.00002   0.00063  -0.00012   0.00051   1.91174
   D465      -2.28801  -0.00002   0.00110  -0.00026   0.00083  -2.28719
   D466      -0.19546   0.00000   0.00100  -0.00020   0.00080  -0.19465
   D467      -1.13296   0.00003   0.00001   0.00031   0.00031  -1.13266
   D468       0.95097  -0.00001   0.00048   0.00016   0.00063   0.95160
   D469       3.04353   0.00001   0.00038   0.00022   0.00060   3.04413
   D470      -1.63131   0.00002   0.00172   0.00205   0.00377  -1.62754
   D471       0.47301   0.00004   0.00158   0.00225   0.00383   0.47684
   D472       2.56436   0.00003   0.00156   0.00212   0.00368   2.56804
   D473       1.41327   0.00001   0.00236   0.00162   0.00398   1.41725
   D474      -2.76559   0.00003   0.00221   0.00182   0.00404  -2.76155
   D475      -0.67425   0.00002   0.00220   0.00169   0.00389  -0.67036
   D476      -0.01248   0.00017   0.00426   0.00343   0.00765  -0.00483
   D477      -3.12784   0.00011   0.02025   0.00290   0.02324  -3.10460
   D478       3.10726   0.00006   0.00740   0.00178   0.00924   3.11650
   D479      -0.00809   0.00000   0.02339   0.00124   0.02482   0.01673
   D480      -0.08559  -0.00008  -0.00685  -0.00463  -0.01154  -0.09713
   D481       2.01685  -0.00004  -0.00821  -0.00463  -0.01295   2.00390
   D482      -2.18981  -0.00006  -0.00634  -0.00523  -0.01163  -2.20144
   D483       3.03109  -0.00003  -0.02206  -0.00413  -0.02631   3.00478
   D484      -1.14965   0.00001  -0.02342  -0.00413  -0.02773  -1.17738
   D485       0.92688  -0.00001  -0.02155  -0.00473  -0.02641   0.90047
   D486       0.07769   0.00024  -0.04731  -0.00681  -0.05422   0.02347
   D487       2.17716  -0.00002  -0.04384  -0.00920  -0.05315   2.12401
   D488      -2.02465   0.00000  -0.04386  -0.00853  -0.05252  -2.07716
   D489      -3.03911   0.00019  -0.03221  -0.00731  -0.03946  -3.07858
   D490      -0.93965  -0.00007  -0.02874  -0.00970  -0.03839  -0.97804
   D491       1.14173  -0.00005  -0.02876  -0.00903  -0.03776   1.10397
         Item               Value     Threshold  Converged?
 Maximum Force            0.000615     0.000450     NO 
 RMS     Force            0.000050     0.000300     YES
 Maximum Displacement     0.107681     0.001800     NO 
 RMS     Displacement     0.008740     0.001200     NO 
 Predicted change in Energy=-2.699061D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:41:17 2016, MaxMem=  2952790016 cpu:         4.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.883101   -0.641574    1.711002
      2          6           0       -2.179920    0.974028   -1.417270
      3          8           0       -2.610568   -0.005370   -2.049344
      4          7           0       -0.921651    1.099706   -0.911462
      5          1           0       -2.817921    1.850040   -1.185583
      6          6           0       -0.521712    2.270886   -0.129161
      7          1           0       -1.372488    2.959917   -0.038558
      8          1           0       -0.200011    1.954167    0.876387
      9          1           0        0.318792    2.787282   -0.621085
     10          6           0        0.084471    0.050021   -1.088466
     11          1           0        0.618088   -0.106151   -0.138402
     12          1           0       -0.413046   -0.882544   -1.385515
     13          1           0        0.816752    0.340790   -1.859897
     14          6           0       -1.966411   -4.075388    2.629203
     15          8           0       -2.140825   -3.931725    3.851351
     16          7           0       -2.876668   -3.781864    1.661172
     17          1           0       -1.010701   -4.449431    2.211931
     18          6           0       -4.205481   -3.259586    1.988952
     19          1           0       -4.468249   -2.471561    1.265372
     20          1           0       -4.962733   -4.059275    1.932463
     21          1           0       -4.192260   -2.839039    3.003134
     22          6           0       -2.572519   -3.957586    0.241158
     23          1           0       -3.266714   -4.685482   -0.209879
     24          1           0       -2.682614   -2.995322   -0.285911
     25          1           0       -1.540224   -4.316301    0.125361
     26          6           0        1.515859    0.356613    2.626862
     27          8           0        1.359292    1.369726    3.329114
     28          7           0        1.135176   -0.905404    2.965621
     29          1           0        1.983513    0.402705    1.623544
     30          6           0        1.442268   -2.053246    2.111588
     31          1           0        2.207035   -2.690875    2.586184
     32          1           0        0.533001   -2.655647    1.957845
     33          1           0        1.810651   -1.699124    1.139052
     34          6           0        0.511103   -1.187632    4.260724
     35          1           0        1.269709   -1.489656    5.003000
     36          1           0       -0.008333   -0.288299    4.615506
     37          1           0       -0.210584   -2.008414    4.138022
     38          6           0       -4.459031    1.486785    2.806113
     39          8           0       -4.626774    2.209926    1.810489
     40          7           0       -3.400639    1.541746    3.660683
     41          1           0       -5.179286    0.689298    3.081085
     42          6           0       -2.306450    2.495328    3.479537
     43          1           0       -2.446222    3.037145    2.536464
     44          1           0       -2.291294    3.210731    4.318668
     45          1           0       -1.345164    1.958887    3.462738
     46          6           0       -3.270465    0.612606    4.784222
     47          1           0       -4.113084   -0.093057    4.782596
     48          1           0       -2.325090    0.051182    4.703912
     49          1           0       -3.262707    1.170171    5.735379
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.533321   0.000000
     3  O    3.882546   1.242656   0.000000
     4  N    3.291468   1.361939   2.316983   0.000000
     5  H    3.933476   1.108206   2.057091   2.057664   0.000000
     6  C    3.704322   2.467938   3.637549   1.464106   2.562364
     7  H    4.036388   2.548833   3.790650   2.103711   2.153316
     8  H    3.204254   3.184584   4.267373   2.108856   3.334069
     9  H    4.695105   3.188316   4.291850   2.114457   3.322054
    10  C    3.490941   2.467664   2.861745   1.464736   3.416632
    11  H    3.156410   3.260543   3.753142   2.102977   4.090162
    12  H    3.436212   2.563145   2.457480   2.100648   3.645601
    13  H    4.583183   3.094665   3.449962   2.120738   3.992916
    14  C    3.555434   6.474267   6.234483   6.356842   7.098476
    15  O    3.933523   7.199049   7.103176   7.034634   7.697920
    16  N    3.294097   5.707956   5.301003   5.854081   6.310769
    17  H    3.938501   6.629636   6.361424   6.368394   7.381902
    18  C    3.510654   5.799028   5.426002   6.180564   6.173432
    19  H    3.198504   4.930020   4.529947   5.483695   5.235170
    20  H    4.605851   6.655741   6.149928   7.143763   7.017296
    21  H    3.439574   6.174865   6.004911   6.444738   6.435963
    22  C    3.692110   5.217789   4.568134   5.443354   5.985342
    23  H    4.685869   5.888036   5.071253   6.281715   6.623176
    24  H    3.188575   4.157933   3.471987   4.501284   4.930035
    25  H    4.016895   5.547657   4.945614   5.548943   6.432328
    26  C    3.658976   5.513165   6.247026   4.360434   5.962106
    27  O    4.144481   5.933865   6.824843   4.822665   6.169465
    28  N    3.279279   5.807914   6.323807   4.825223   6.360184
    29  H    4.006104   5.187209   5.895948   3.918169   5.748020
    30  C    3.634744   5.893850   6.158947   4.966695   6.652532
    31  H    4.657766   6.978863   7.204814   6.032471   7.752181
    32  H    3.155150   5.650299   5.741389   4.944857   6.435140
    33  H    3.884500   5.441064   5.708051   4.416280   6.278866
    34  C    3.539982   6.644847   7.138594   5.834056   7.069096
    35  H    4.636454   7.693474   8.185060   6.818190   8.133932
    36  H    3.475011   6.534802   7.160439   5.771316   6.791090
    37  H    3.248998   6.605642   6.932214   5.971877   7.072951
    38  C    3.516333   4.826409   5.405442   5.146188   4.331147
    39  O    3.958370   4.234733   4.885788   4.729644   3.518226
    40  N    3.297130   5.253386   5.968433   5.219702   4.890900
    41  H    3.809617   5.414098   5.779461   5.851181   5.012766
    42  C    3.625892   5.129238   6.075730   4.811060   4.737230
    43  H    3.812016   4.467592   5.505773   4.238653   3.924413
    44  H    4.669775   6.157616   7.141206   5.804017   5.694349
    45  H    3.181250   5.047895   5.986869   4.477854   4.877269
    46  C    3.597558   6.307013   6.893110   6.180211   6.113478
    47  H    3.835151   6.581347   6.995758   6.635527   6.408762
    48  H    3.103671   6.192058   6.759523   5.882301   6.177776
    49  H    4.623996   7.236800   7.899942   7.047411   6.968484
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098541   0.000000
     8  H    1.102239   1.795372   0.000000
     9  H    1.102316   1.797100   1.790435   0.000000
    10  C    2.493986   3.419435   2.750882   2.786745   0.000000
    11  H    2.636197   3.656930   2.438030   2.948646   1.100799
    12  H    3.396227   4.183220   3.634352   3.819367   1.097925
    13  H    2.917568   3.869092   3.335273   2.787103   1.102673
    14  C    7.069012   7.547531   6.522888   7.929865   5.919982
    15  O    7.545753   7.950878   6.874656   8.437858   6.723692
    16  N    6.736979   7.113596   6.378278   7.653321   5.568859
    17  H    7.133196   7.752034   6.591431   7.884386   5.686571
    18  C    6.974430   7.128735   6.668193   7.990365   6.231186
    19  H    6.325400   6.386308   6.160863   7.357303   5.711934
    20  H    8.002743   8.126736   7.743404   9.016122   7.175416
    21  H    7.028195   7.129578   6.590593   8.070937   6.586219
    22  C    6.567861   7.026390   6.401650   7.388936   4.988828
    23  H    7.478811   7.878425   7.393888   8.298623   5.867482
    24  H    5.694472   6.102662   5.657887   6.523747   4.192251
    25  H    6.670321   7.279997   6.455926   7.380651   4.814331
    26  C    3.925787   4.714256   2.925842   4.229690   3.993311
    27  O    4.038556   4.618717   2.964602   4.323907   4.783493
    28  N    4.734108   5.500380   3.784808   5.212185   4.295631
    29  H    3.583048   4.534828   2.780837   3.673671   3.329527
    30  C    5.251314   6.138224   4.503572   5.671015   4.062966
    31  H    6.279987   7.185660   5.503970   6.622857   5.051816
    32  H    5.453324   6.257082   4.791371   6.026793   4.099003
    33  H    4.775904   5.764183   4.178311   5.044954   3.316782
    34  C    5.683234   6.263698   4.672293   6.298331   5.507053
    35  H    6.609837   7.224764   5.572156   7.129289   6.393853
    36  H    5.415243   5.837134   4.364218   6.081783   5.714750
    37  H    6.051286   6.593797   5.132292   6.777022   5.624979
    38  C    4.973241   4.448485   4.699100   6.022007   6.154303
    39  O    4.540648   3.817307   4.531466   5.541165   5.938430
    40  N    4.814851   4.450729   4.262208   5.806812   6.076648
    41  H    5.873678   5.420294   5.590507   6.952442   6.745440
    42  C    4.032166   3.669485   3.392098   4.877728   5.706372
    43  H    3.375863   2.790987   2.995690   4.204503   5.335488
    44  H    4.878311   4.460105   4.219208   5.602947   6.698616
    45  H    3.698264   3.641687   2.828535   4.486936   5.138199
    46  C    5.869145   5.689586   5.147683   6.843194   6.786793
    47  H    6.527751   6.330485   5.895908   7.558944   7.218678
    48  H    5.615857   5.644396   4.773600   6.544611   6.273566
    49  H    6.566388   6.333598   5.796943   7.473072   7.682655
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794802   0.000000
    13  H    1.789628   1.798329   0.000000
    14  C    5.485811   5.359586   6.884813   0.000000
    15  O    6.177763   6.301388   7.721399   1.242862   0.000000
    16  N    5.381696   4.874197   6.560149   1.360812   2.315341
    17  H    5.200107   5.101127   6.547182   1.107884   2.057401
    18  C    6.143013   5.605348   7.280053   2.467568   2.860613
    19  H    5.782437   5.098711   6.753359   3.269784   3.773098
    20  H    7.145715   6.465312   8.194206   3.076305   3.414903
    21  H    6.362183   6.113147   7.671413   2.573477   2.474231
    22  C    5.015735   4.094542   5.863244   2.466577   3.636004
    23  H    6.005587   4.897743   6.682864   3.181728   4.281281
    24  H    4.389044   3.289970   5.084549   3.190201   4.276368
    25  H    4.738486   3.917138   5.584361   2.551254   3.793629
    26  C    2.943948   4.621186   4.540926   5.636386   5.767196
    27  O    3.840737   5.517393   5.317790   6.418680   6.374083
    28  N    3.246713   4.618431   4.993998   4.447676   4.547012
    29  H    2.286432   4.055835   3.674170   6.055293   6.384400
    30  C    3.087541   4.128252   4.679250   3.997008   4.403863
    31  H    4.077857   5.090115   5.558014   4.397315   4.695130
    32  H    3.301730   3.900891   4.861512   2.951856   3.516119
    33  H    2.364669   3.461946   3.760689   4.704613   5.287272
    34  C    4.531375   5.729498   6.315972   4.139937   3.838015
    35  H    5.364020   6.634258   7.117237   4.774243   4.349913
    36  H    4.798461   6.043937   6.558000   4.703352   4.290223
    37  H    4.753221   5.640748   6.522976   3.103522   2.739916
    38  C    6.081509   6.289155   7.135744   6.097723   5.985553
    39  O    6.055656   6.126444   6.826227   6.874082   6.932888
    40  N    5.770510   6.345630   7.050212   5.888392   5.619820
    41  H    6.678876   6.718501   7.777354   5.764460   5.583852
    42  C    5.330112   6.218017   6.550266   6.634230   6.439929
    43  H    5.140546   5.905903   6.102894   7.129302   7.098404
    44  H    6.271498   7.267767   7.488070   7.486480   7.159309
    45  H    4.592053   5.696327   5.968464   6.123170   5.956795
    46  C    6.314244   6.961751   7.805353   5.321838   4.774650
    47  H    6.826447   7.235964   8.283370   5.010416   4.415019
    48  H    5.668779   6.450495   7.282763   4.632672   4.077299
    49  H    7.154779   7.939857   8.661297   6.232544   5.553154
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056895   0.000000
    18  C    1.464909   3.416442   0.000000
    19  H    2.099209   4.094213   1.101634   0.000000
    20  H    2.121844   3.981066   1.102781   1.791748   0.000000
    21  H    2.102513   3.652627   1.097998   1.797506   1.796926
    22  C    1.462814   2.562252   2.491697   2.617456   2.929842
    23  H    2.114118   3.318204   2.783760   2.919160   2.803256
    24  H    2.108895   3.339003   2.750265   2.422663   3.354418
    25  H    2.104857   2.156825   3.419534   3.643627   3.878820
    26  C    6.111779   5.445524   6.798349   6.757350   7.871113
    27  O    6.874901   6.381815   7.361608   7.278376   8.449420
    28  N    5.105928   4.211053   5.917658   6.061524   6.942537
    29  H    6.413532   5.731905   7.200662   7.072123   8.261660
    30  C    4.673778   3.430572   5.776449   5.985422   6.714184
    31  H    5.281092   3.685974   6.465329   6.808234   7.328400
    32  H    3.603086   2.380177   4.776916   5.052317   5.672206
    33  H    5.155713   4.083539   6.273055   6.327496   7.216547
    34  C    4.996469   4.141591   5.630285   5.951013   6.605303
    35  H    5.797799   4.663755   6.495756   6.917960   7.407731
    36  H    5.400040   4.908863   5.774373   5.990065   6.779754
    37  H    4.048199   3.210698   4.705649   5.156969   5.626140
    38  C    5.619023   6.890769   4.822870   4.247643   5.637000
    39  O    6.243933   7.588424   5.488615   4.715782   6.279381
    40  N    5.710815   6.610968   5.147353   4.794157   6.066163
    41  H    5.225848   6.673760   4.211263   3.713949   4.890315
    42  C    6.560086   7.177428   6.240768   5.851999   7.239620
    43  H    6.888417   7.629867   6.560760   6.004174   7.553597
    44  H    7.503421   8.047133   7.138396   6.808098   8.104540
    45  H    6.208652   6.537808   6.130736   5.849013   7.186573
    46  C    5.405541   6.111255   4.866381   4.830019   5.729117
    47  H    4.987916   5.933894   4.223729   4.260785   4.957424
    48  H    4.924911   5.309719   4.676330   4.772937   5.615510
    49  H    6.424237   7.004723   5.877693   5.890374   6.685758
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391639   0.000000
    23  H    3.819613   1.102350   0.000000
    24  H    3.622329   1.102667   1.789859   0.000000
    25  H    4.182962   1.098963   1.797067   1.794209   0.000000
    26  C    6.552586   6.404587   7.506186   6.111210   6.118274
    27  O    6.974216   7.305810   8.401783   6.961254   7.141578
    28  N    5.667620   5.521369   6.614335   5.432839   5.182573
    29  H    7.110016   6.456048   7.537637   6.079913   6.077030
    30  C    5.758491   4.821154   5.873022   4.863143   4.238133
    31  H    6.414575   5.472462   6.462070   5.678933   4.768606
    32  H    4.842970   3.779724   4.822561   3.935734   3.227078
    33  H    6.388204   5.011890   6.042979   4.888771   4.370990
    34  C    5.141041   5.773932   6.818589   5.842899   5.576535
    35  H    5.971047   6.597616   7.613577   6.772036   6.298969
    36  H    5.158610   6.258885   7.296342   6.205130   6.223576
    37  H    4.222754   4.956164   5.950704   5.162955   4.816195
    38  C    4.338517   6.307067   6.972425   5.727613   7.027209
    39  O    5.206078   6.687373   7.312886   5.938792   7.413372
    40  N    4.500035   6.528521   7.333319   6.056084   7.090583
    41  H    3.664622   6.037710   6.586094   5.580900   6.858214
    42  C    5.677914   7.224817   8.130063   6.668383   7.631244
    43  H    6.147842   7.362787   8.237389   6.664258   7.791497
    44  H    6.476420   8.251663   9.154746   7.737595   8.648939
    45  H    5.597971   6.847600   7.831227   6.354945   7.110142
    46  C    3.991971   6.481760   7.280852   6.250516   6.999489
    47  H    3.273098   6.158943   6.836045   6.013247   6.793028
    48  H    3.838274   6.003967   6.889702   5.857247   6.376053
    49  H    4.939938   7.546967   8.344745   7.344641   8.033717
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242606   0.000000
    28  N    1.361016   2.314859   0.000000
    29  H    1.107913   2.057607   2.057181   0.000000
    30  C    2.465430   3.634005   1.463291   2.561802   0.000000
    31  H    3.125150   4.214155   2.116781   3.247595   1.103032
    32  H    3.238410   4.332062   2.107505   3.401361   1.101494
    33  H    2.554708   3.797096   2.103001   2.163862   1.098607
    34  C    2.462465   2.850860   1.465064   3.413485   2.497026
    35  H    3.019160   3.314512   2.123761   3.938434   2.950876
    36  H    2.587234   2.504846   2.100131   3.660160   3.389526
    37  H    3.295081   3.811912   2.098148   4.117056   2.615409
    38  C    6.083480   5.842954   6.086309   6.639282   6.916611
    39  O    6.467857   6.232587   6.651292   6.855427   7.422841
    40  N    5.161907   4.774565   5.200507   5.868257   6.227151
    41  H    6.718777   6.578564   6.513742   7.315206   7.232319
    42  C    4.462197   3.837613   4.865581   5.121285   6.050925
    43  H    4.784507   4.229718   5.343621   5.234142   6.419732
    44  H    5.050011   4.206578   5.523948   5.781235   6.820568
    45  H    3.383995   2.771110   3.821437   4.109066   5.068786
    46  C    5.256294   4.911743   5.002133   6.135000   6.038177
    47  H    6.044369   5.848012   5.612980   6.884321   6.468273
    48  H    4.377249   4.147686   3.988753   5.308134   5.034058
    49  H    5.758424   5.214672   5.596511   6.709620   6.757149
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788418   0.000000
    33  H    1.798578   1.793808   0.000000
    34  C    2.817802   2.731081   3.419837   0.000000
    35  H    2.857010   3.342939   3.907248   1.103483   0.000000
    36  H    3.846866   3.600075   4.169516   1.097490   1.796330
    37  H    2.952768   2.392698   3.629721   1.099805   1.791247
    38  C    7.870047   6.542147   7.227587   5.828433   6.819382
    39  O    8.445146   7.093574   7.561213   6.629090   7.658169
    40  N    7.107436   5.999274   6.634713   4.807419   5.727422
    41  H    8.138073   6.714205   7.637753   6.106959   7.073269
    42  C    6.932988   6.075407   6.326280   4.702452   5.566862
    43  H    7.380074   6.451236   6.519660   5.437608   6.354830
    44  H    7.620067   6.925642   7.144410   5.215591   5.936556
    45  H    5.916651   5.204434   5.360945   3.739397   4.593737
    46  C    6.763680   5.756409   6.667016   4.220801   5.008049
    47  H    7.177520   6.011006   7.137612   4.780539   5.565387
    48  H    5.704718   4.799635   5.733773   3.126510   3.922527
    49  H    7.398863   6.581340   7.422805   4.687801   5.306020
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796578   0.000000
    38  C    5.121868   5.660361   0.000000
    39  O    5.953087   6.535635   1.241910   0.000000
    40  N    3.970956   4.796659   1.361434   2.317993   0.000000
    41  H    5.481687   5.751761   1.109217   2.057181   2.055769
    42  C    3.784223   5.010982   2.470680   2.872469   1.462663
    43  H    4.617823   5.746366   2.554941   2.442568   2.100238
    44  H    4.188464   5.621518   3.155772   3.570300   2.109290
    45  H    2.857593   4.181239   3.217173   3.682650   2.106696
    46  C    3.388451   4.080464   2.467750   3.637869   1.463757
    47  H    4.112787   4.394721   2.553833   3.794868   2.106857
    48  H    2.343165   3.005545   3.196294   4.281334   2.113507
    49  H    3.737940   4.687259   3.179942   4.283285   2.112215
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.416679   0.000000
    43  H    3.643986   1.096580   0.000000
    44  H    4.028615   1.102803   1.797328   0.000000
    45  H    4.056847   1.100964   1.798041   1.787426   0.000000
    46  C    2.559327   2.485190   3.407371   2.815274   2.695473
    47  H    2.154995   3.414912   4.197821   3.801206   3.689699
    48  H    3.344726   2.733731   3.691676   3.183128   2.477923
    49  H    3.309046   2.785550   3.792795   2.667321   3.076352
                   46         47         48         49
    46  C    0.000000
    47  H    1.099077   0.000000
    48  H    1.102443   1.795528   0.000000
    49  H    1.102560   1.796297   1.787508   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2156931      0.1886699      0.1847720
 Leave Link  202 at Mon Nov 14 00:41:17 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1846.9648948266 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840137226 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.7808811040 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4049
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.16D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     224
 GePol: Fraction of low-weight points (<1% of avg)   =       5.53%
 GePol: Cavity surface area                          =    466.590 Ang**2
 GePol: Cavity volume                                =    458.218 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039742318 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.7769068723 Hartrees.
 Leave Link  301 at Mon Nov 14 00:41:18 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11983 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:41:19 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:41:19 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000409    0.003539    0.001497
         Rot=    1.000000   -0.000203    0.000187   -0.000426 Ang=  -0.06 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50917040026    
 Leave Link  401 at Mon Nov 14 00:41:26 2016, MaxMem=  2952790016 cpu:        79.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49183203.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.44D-15 for   3264.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.50D-15 for   2186    743.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   3691.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.31D-10 for   2682   2219.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.99D-15 for   1815.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.39D-14 for   2423    159.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2279.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.00D-15 for   2224    364.
 E= -1013.44949953944    
 DIIS: error= 7.58D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44949953944     IErMin= 1 ErrMin= 7.58D-04
 ErrMax= 7.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.96D-04 BMatP= 6.96D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.58D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.39D-04 MaxDP=7.48D-03              OVMax= 1.11D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.39D-04    CP:  1.00D+00
 E= -1013.45078565412     Delta-E=       -0.001286114684 Rises=F Damp=F
 DIIS: error= 7.20D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45078565412     IErMin= 2 ErrMin= 7.20D-05
 ErrMax= 7.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.49D-06 BMatP= 6.96D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-01 0.987D+00
 Coeff:      0.134D-01 0.987D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.97D-05 MaxDP=1.07D-03 DE=-1.29D-03 OVMax= 1.36D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.90D-05    CP:  1.00D+00  9.63D-01
 E= -1013.45077537613     Delta-E=        0.000010277991 Rises=F Damp=F
 DIIS: error= 1.45D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45078565412     IErMin= 2 ErrMin= 7.20D-05
 ErrMax= 1.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-05 BMatP= 8.49D-06
 IDIUse=3 WtCom= 4.54D-01 WtEn= 5.46D-01
 Coeff-Com:  0.114D-02 0.628D+00 0.371D+00
 Coeff-En:   0.000D+00 0.688D+00 0.312D+00
 Coeff:      0.519D-03 0.661D+00 0.339D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.33D-05 MaxDP=8.62D-04 DE= 1.03D-05 OVMax= 1.29D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.99D-06    CP:  1.00D+00  9.70D-01  4.43D-01
 E= -1013.45079169518     Delta-E=       -0.000016319053 Rises=F Damp=F
 DIIS: error= 5.17D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45079169518     IErMin= 4 ErrMin= 5.17D-05
 ErrMax= 5.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-06 BMatP= 8.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-03 0.284D+00 0.236D+00 0.480D+00
 Coeff:     -0.170D-03 0.284D+00 0.236D+00 0.480D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.83D-06 MaxDP=2.61D-04 DE=-1.63D-05 OVMax= 4.48D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.70D-06    CP:  1.00D+00  9.74D-01  4.80D-01  5.11D-01
 E= -1013.45079313621     Delta-E=       -0.000001441026 Rises=F Damp=F
 DIIS: error= 3.19D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45079313621     IErMin= 5 ErrMin= 3.19D-05
 ErrMax= 3.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-07 BMatP= 2.05D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.337D-04 0.150D+00 0.137D+00 0.344D+00 0.368D+00
 Coeff:     -0.337D-04 0.150D+00 0.137D+00 0.344D+00 0.368D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.50D-06 MaxDP=1.04D-04 DE=-1.44D-06 OVMax= 1.56D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.11D-07    CP:  1.00D+00  9.74D-01  4.68D-01  5.54D-01  5.84D-01
 E= -1013.45079347045     Delta-E=       -0.000000334245 Rises=F Damp=F
 DIIS: error= 2.06D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45079347045     IErMin= 6 ErrMin= 2.06D-06
 ErrMax= 2.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-09 BMatP= 3.87D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.224D-04 0.565D-01 0.531D-01 0.138D+00 0.170D+00 0.582D+00
 Coeff:     -0.224D-04 0.565D-01 0.531D-01 0.138D+00 0.170D+00 0.582D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.13D-07 MaxDP=1.12D-05 DE=-3.34D-07 OVMax= 1.42D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.90D-07    CP:  1.00D+00  9.74D-01  4.70D-01  5.54D-01  5.79D-01
                    CP:  9.02D-01
 E= -1013.45079347364     Delta-E=       -0.000000003190 Rises=F Damp=F
 DIIS: error= 6.50D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45079347364     IErMin= 7 ErrMin= 6.50D-07
 ErrMax= 6.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.38D-10 BMatP= 3.86D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-04 0.111D-01 0.111D-01 0.302D-01 0.433D-01 0.306D+00
 Coeff-Com:  0.598D+00
 Coeff:     -0.141D-04 0.111D-01 0.111D-01 0.302D-01 0.433D-01 0.306D+00
 Coeff:      0.598D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.69D-08 MaxDP=4.33D-06 DE=-3.19D-09 OVMax= 3.65D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.41D-08    CP:  1.00D+00  9.74D-01  4.70D-01  5.55D-01  5.79D-01
                    CP:  9.11D-01  8.04D-01
 E= -1013.45079347418     Delta-E=       -0.000000000538 Rises=F Damp=F
 DIIS: error= 9.25D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45079347418     IErMin= 8 ErrMin= 9.25D-08
 ErrMax= 9.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-11 BMatP= 5.38D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.407D-05 0.133D-02 0.149D-02 0.413D-02 0.726D-02 0.794D-01
 Coeff-Com:  0.219D+00 0.688D+00
 Coeff:     -0.407D-05 0.133D-02 0.149D-02 0.413D-02 0.726D-02 0.794D-01
 Coeff:      0.219D+00 0.688D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.86D-08 MaxDP=8.43D-07 DE=-5.38D-10 OVMax= 1.30D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.37D-08    CP:  1.00D+00  9.74D-01  4.70D-01  5.55D-01  5.81D-01
                    CP:  9.15D-01  8.09D-01  7.97D-01
 E= -1013.45079347420     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 1.21D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45079347420     IErMin= 8 ErrMin= 9.25D-08
 ErrMax= 1.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.60D-12 BMatP= 1.35D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.228D-05 0.394D-03 0.518D-03 0.146D-02 0.312D-02 0.425D-01
 Coeff-Com:  0.130D+00 0.501D+00 0.321D+00
 Coeff:     -0.228D-05 0.394D-03 0.518D-03 0.146D-02 0.312D-02 0.425D-01
 Coeff:      0.130D+00 0.501D+00 0.321D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.78D-09 MaxDP=4.76D-07 DE=-2.14D-11 OVMax= 8.71D-07

 Error on total polarization charges =  0.04256
 SCF Done:  E(RB97D) =  -1013.45079347     A.U. after    9 cycles
            NFock=  9  Conv=0.88D-08     -V/T= 2.0213
 KE= 9.923558609232D+02 PE=-6.024922273926D+03 EE= 2.172338712657D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.49
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:43:18 2016, MaxMem=  2952790016 cpu:      1284.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11983 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     365
 Leave Link  701 at Mon Nov 14 00:43:26 2016, MaxMem=  2952790016 cpu:       100.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:43:27 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:44:03 2016, MaxMem=  2952790016 cpu:       440.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.57328067D+00-2.88699804D+00 3.47914375D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000387155    0.001194178   -0.001337745
      2        6           0.000280668    0.000058545    0.000099358
      3        8           0.000013332    0.000005814    0.000027173
      4        7          -0.000035099   -0.000092047    0.000056849
      5        1           0.000034164    0.000126764   -0.000156934
      6        6           0.000051506   -0.000073388   -0.000146204
      7        1           0.000036108    0.000011964    0.000028429
      8        1           0.000063235   -0.000123397   -0.000095137
      9        1           0.000068380    0.000042702    0.000115186
     10        6          -0.000076898   -0.000027306    0.000053157
     11        1          -0.000022798   -0.000069641   -0.000071652
     12        1           0.000059442    0.000026977   -0.000060055
     13        1           0.000036249    0.000018537    0.000007858
     14        6          -0.000015565   -0.000016627    0.000076578
     15        8          -0.000041153    0.000016607   -0.000028342
     16        7          -0.000012968    0.000026007    0.000085643
     17        1          -0.000038792   -0.000026284   -0.000029786
     18        6          -0.000182217   -0.000014794    0.000145631
     19        1           0.000017741   -0.000037049   -0.000014684
     20        1          -0.000012934    0.000017906   -0.000031824
     21        1           0.000002403    0.000082270   -0.000057695
     22        6          -0.000049469    0.000045369   -0.000132946
     23        1          -0.000018428   -0.000009313    0.000018624
     24        1          -0.000084578   -0.000026777    0.000041879
     25        1          -0.000011113    0.000029766   -0.000022882
     26        6          -0.000016865   -0.000115734   -0.000010033
     27        8           0.000057328   -0.000055286    0.000028012
     28        7          -0.000050487    0.000044221   -0.000016910
     29        1           0.000058649   -0.000012622    0.000056453
     30        6           0.000032410    0.000158110   -0.000013464
     31        1          -0.000073868   -0.000104454    0.000014701
     32        1          -0.000002657   -0.000000146    0.000046559
     33        1           0.000016874   -0.000036581    0.000010684
     34        6           0.000013010    0.000053934    0.000084176
     35        1          -0.000026417   -0.000032882    0.000011112
     36        1          -0.000098668   -0.000069692   -0.000038848
     37        1          -0.000004302   -0.000041195    0.000010007
     38        6          -0.000400420   -0.000322327    0.000230252
     39        8           0.000063569   -0.000031313    0.000144593
     40        7           0.000489867   -0.000827735   -0.000020511
     41        1           0.000035217   -0.000023611   -0.000056114
     42        6           0.000061597    0.000273000    0.000098194
     43        1          -0.000070064   -0.000251165   -0.000055956
     44        1           0.000197797    0.000072932    0.000050479
     45        1           0.000097643   -0.000333872    0.000462893
     46        6          -0.001035037    0.000703221    0.000559367
     47        1           0.000164397   -0.000200061   -0.000346712
     48        1          -0.000048438    0.000041617    0.000179900
     49        1           0.000090496   -0.000075143    0.000000687
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001337745 RMS     0.000230140
 Leave Link  716 at Mon Nov 14 00:44:04 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000333514 RMS     0.000047419
 Search for a local minimum.
 Step number  10 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .47419D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    7    8    9   10
 DE= -3.42D-05 DEPred=-2.70D-05 R= 1.27D+00
 TightC=F SS=  1.41D+00  RLast= 2.48D-01 DXNew= 1.4968D+00 7.4379D-01
 Trust test= 1.27D+00 RLast= 2.48D-01 DXMaxT set to 8.90D-01
 ITU=  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00056   0.00341   0.00344   0.00386   0.00389
     Eigenvalues ---    0.00538   0.00586   0.00706   0.00763   0.00771
     Eigenvalues ---    0.00885   0.00901   0.00941   0.01021   0.01028
     Eigenvalues ---    0.01055   0.01191   0.01226   0.01263   0.01354
     Eigenvalues ---    0.01383   0.01424   0.01515   0.01533   0.01605
     Eigenvalues ---    0.01610   0.01777   0.01790   0.01861   0.01895
     Eigenvalues ---    0.01947   0.01992   0.02076   0.02114   0.02134
     Eigenvalues ---    0.02182   0.02255   0.02561   0.02663   0.02862
     Eigenvalues ---    0.02975   0.03402   0.03647   0.04007   0.04190
     Eigenvalues ---    0.04314   0.04784   0.05083   0.05316   0.05731
     Eigenvalues ---    0.05880   0.06072   0.06090   0.06274   0.06827
     Eigenvalues ---    0.07163   0.07709   0.07723   0.07823   0.07979
     Eigenvalues ---    0.08073   0.08140   0.08410   0.08474   0.08576
     Eigenvalues ---    0.08632   0.08720   0.08771   0.08837   0.09004
     Eigenvalues ---    0.09147   0.09661   0.09811   0.09968   0.10003
     Eigenvalues ---    0.10066   0.10175   0.10430   0.10528   0.10538
     Eigenvalues ---    0.10616   0.10689   0.11004   0.11315   0.11395
     Eigenvalues ---    0.11568   0.11675   0.11842   0.12798   0.13319
     Eigenvalues ---    0.13747   0.14390   0.14693   0.15304   0.15655
     Eigenvalues ---    0.16135   0.17005   0.22109   0.23248   0.23810
     Eigenvalues ---    0.24010   0.24849   0.25120   0.25722   0.26563
     Eigenvalues ---    0.27060   0.27884   0.27982   0.29269   0.29789
     Eigenvalues ---    0.29942   0.30506   0.32722   0.32735   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33394   0.33416   0.33425   0.33488   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33831   0.33894   0.33915
     Eigenvalues ---    0.33944   0.34000   0.34131   0.37110   0.39572
     Eigenvalues ---    0.40703   0.41592   0.85943   0.85988   0.86093
     Eigenvalues ---    0.86777
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    10    9    8    7    6
 RFO step:  Lambda=-6.47436923D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  7.03D-05 SmlDif=  1.00D-05
 RMS Error=  0.1901790407D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.20115    0.09493   -0.63663    0.40777   -0.06723
 Iteration  1 RMS(Cart)=  0.00417263 RMS(Int)=  0.00006788
 Iteration  2 RMS(Cart)=  0.00004144 RMS(Int)=  0.00002820
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00002820
 ITry= 1 IFail=0 DXMaxC= 4.50D-02 DCOld= 1.00D+10 DXMaxT= 8.90D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.67701   0.00007  -0.00662   0.00002  -0.00661   6.67040
    R2        6.21997   0.00004   0.00075   0.00125   0.00200   6.22197
    R3        7.00016   0.00004   0.00110   0.00213   0.00322   7.00338
    R4        6.05516  -0.00004   0.00084   0.00065   0.00149   6.05665
    R5        6.59692  -0.00002   0.00085   0.00036   0.00121   6.59813
    R6        5.96475  -0.00002   0.00084  -0.00042   0.00042   5.96517
    R7        6.71880  -0.00001   0.00003   0.00032   0.00035   6.71915
    R8        6.22494   0.00000  -0.00002   0.00025   0.00023   6.22517
    R9        6.63417   0.00003  -0.00101   0.00000  -0.00101   6.63316
   R10        6.04430   0.00001   0.00043   0.00187   0.00230   6.04660
   R11        6.97708   0.00002   0.00024   0.00084   0.00108   6.97816
   R12        6.02553   0.00002   0.00022   0.00100   0.00123   6.02676
   R13        6.91446   0.00004   0.00090   0.00231   0.00321   6.91767
   R14        6.19694   0.00001   0.00054   0.00001   0.00054   6.19747
   R15        6.86867   0.00001   0.00187   0.00065   0.00251   6.87118
   R16        5.96237  -0.00002   0.00137  -0.00010   0.00127   5.96364
   R17        6.68960  -0.00004  -0.00148  -0.00228  -0.00376   6.68584
   R18        6.64491  -0.00026  -0.00242  -0.00349  -0.00588   6.63903
   R19        6.23067  -0.00008   0.00047  -0.00260  -0.00221   6.22846
   R20        6.85194  -0.00007  -0.01074  -0.01318  -0.02402   6.82792
   R21        6.01169   0.00000  -0.00672  -0.00672  -0.01329   5.99840
   R22        6.79840   0.00033   0.00263   0.01170   0.01405   6.81245
   R23        5.86509   0.00027  -0.00749   0.00714  -0.00017   5.86492
   R24        2.34828   0.00002  -0.00002   0.00002   0.00000   2.34828
   R25        2.57369  -0.00013   0.00016  -0.00009   0.00007   2.57376
   R26        2.09421   0.00004  -0.00014   0.00002  -0.00011   2.09409
   R27        2.76676  -0.00005   0.00015  -0.00002   0.00014   2.76690
   R28        2.76795  -0.00004   0.00007  -0.00004   0.00003   2.76798
   R29        2.07594   0.00000   0.00002  -0.00003  -0.00001   2.07594
   R30        2.08293  -0.00002   0.00005  -0.00001   0.00005   2.08298
   R31        2.08307   0.00001  -0.00005  -0.00001  -0.00006   2.08302
   R32        2.08021  -0.00005   0.00013  -0.00001   0.00012   2.08033
   R33        2.07478  -0.00001   0.00003  -0.00001   0.00001   2.07479
   R34        2.08375   0.00002  -0.00005   0.00001  -0.00004   2.08371
   R35        2.34867   0.00001   0.00001   0.00001   0.00002   2.34869
   R36        2.57156   0.00002   0.00001  -0.00002   0.00000   2.57156
   R37        2.09360   0.00000  -0.00001   0.00000  -0.00001   2.09359
   R38        2.76828   0.00004   0.00003   0.00012   0.00015   2.76842
   R39        2.76432   0.00010  -0.00007   0.00005   0.00000   2.76431
   R40        2.08179  -0.00003   0.00004  -0.00003   0.00000   2.08179
   R41        2.08395   0.00000   0.00000  -0.00001  -0.00001   2.08394
   R42        2.07492   0.00001   0.00003   0.00002   0.00005   2.07496
   R43        2.08314   0.00000   0.00000   0.00000   0.00000   2.08314
   R44        2.08374  -0.00002   0.00000  -0.00001  -0.00002   2.08372
   R45        2.07674   0.00000   0.00000  -0.00001   0.00000   2.07673
   R46        2.34818  -0.00003   0.00002  -0.00002   0.00000   2.34819
   R47        2.57195  -0.00008   0.00000  -0.00007  -0.00006   2.57188
   R48        2.09365   0.00000  -0.00001  -0.00001  -0.00002   2.09363
   R49        2.76522  -0.00004   0.00000  -0.00004  -0.00002   2.76520
   R50        2.76857   0.00004   0.00006   0.00005   0.00012   2.76869
   R51        2.08443   0.00001  -0.00001   0.00002   0.00001   2.08444
   R52        2.08152  -0.00001  -0.00001  -0.00006  -0.00004   2.08148
   R53        2.07607   0.00000   0.00003  -0.00001   0.00002   2.07608
   R54        2.08528   0.00000   0.00000  -0.00001  -0.00001   2.08527
   R55        2.07396  -0.00001   0.00002   0.00002   0.00004   2.07399
   R56        2.07833   0.00000  -0.00003  -0.00003  -0.00006   2.07827
   R57        2.34687  -0.00015   0.00010  -0.00011  -0.00001   2.34686
   R58        2.57274   0.00010  -0.00014   0.00010  -0.00003   2.57271
   R59        2.09612  -0.00001  -0.00005  -0.00016  -0.00021   2.09590
   R60        2.76403   0.00020  -0.00002   0.00036   0.00039   2.76442
   R61        2.76610  -0.00025   0.00050  -0.00058  -0.00003   2.76607
   R62        2.07224  -0.00005  -0.00005  -0.00012  -0.00017   2.07207
   R63        2.08400   0.00008   0.00003   0.00002   0.00005   2.08405
   R64        2.08052   0.00010  -0.00020   0.00005  -0.00010   2.08042
   R65        2.07696  -0.00001  -0.00003   0.00011   0.00008   2.07704
   R66        2.08332   0.00014   0.00019  -0.00033   0.00009   2.08341
   R67        2.08354  -0.00003  -0.00005  -0.00023  -0.00027   2.08326
    A1        0.69439  -0.00003   0.00024  -0.00015   0.00009   0.69448
    A2        0.98015  -0.00003   0.00021  -0.00031  -0.00010   0.98005
    A3        0.71783  -0.00003   0.00039  -0.00003   0.00036   0.71819
    A4        1.01249  -0.00003   0.00040  -0.00006   0.00033   1.01283
    A5        2.30270   0.00002  -0.00010  -0.00002  -0.00012   2.30258
    A6        1.97922   0.00002  -0.00005   0.00016   0.00011   1.97933
    A7        1.93426   0.00004   0.00003   0.00043   0.00047   1.93473
    A8        1.64121   0.00004  -0.00012   0.00035   0.00023   1.64144
    A9        1.61333   0.00000  -0.00005   0.00009   0.00004   1.61336
   A10        1.33048   0.00001  -0.00005   0.00015   0.00010   1.33058
   A11        1.74661  -0.00003   0.00031  -0.00005   0.00025   1.74686
   A12        2.04074  -0.00004   0.00031  -0.00017   0.00013   2.04087
   A13        1.93052  -0.00005   0.00043  -0.00008   0.00034   1.93086
   A14        2.01028  -0.00004   0.00013  -0.00027  -0.00015   2.01014
   A15        2.44191  -0.00004   0.00034  -0.00006   0.00028   2.44218
   A16        1.50819   0.00008   0.00099   0.00213   0.00313   1.51132
   A17        1.75391   0.00008   0.00067   0.00145   0.00211   1.75601
   A18        1.59725   0.00003  -0.00029  -0.00006  -0.00035   1.59689
   A19        1.69910   0.00010   0.00121   0.00176   0.00297   1.70207
   A20        2.17065   0.00001   0.00063   0.00072   0.00135   2.17200
   A21        2.40349   0.00000   0.00170   0.00175   0.00341   2.40689
   A22        0.66076  -0.00002   0.00002  -0.00016  -0.00014   0.66063
   A23        0.66318  -0.00001  -0.00004  -0.00005  -0.00009   0.66309
   A24        2.37971   0.00001  -0.00027  -0.00024  -0.00051   2.37920
   A25        2.18999   0.00001  -0.00001   0.00004   0.00003   2.19002
   A26        2.27947   0.00002   0.00031   0.00036   0.00067   2.28014
   A27        2.01281   0.00001   0.00020   0.00028   0.00048   2.01329
   A28        1.78492  -0.00001   0.00000   0.00006   0.00006   1.78498
   A29        1.53557   0.00000   0.00006   0.00016   0.00022   1.53579
   A30        1.35284  -0.00001  -0.00009  -0.00002  -0.00011   1.35273
   A31        1.64941  -0.00002  -0.00013  -0.00017  -0.00030   1.64911
   A32        1.59683  -0.00003  -0.00006  -0.00013  -0.00020   1.59664
   A33        1.74808  -0.00003  -0.00034  -0.00036  -0.00069   1.74738
   A34        2.04644  -0.00001  -0.00006  -0.00004  -0.00010   2.04634
   A35        1.71319   0.00009   0.00178   0.00274   0.00453   1.71771
   A36        1.82892   0.00007   0.00125   0.00186   0.00309   1.83201
   A37        1.53583   0.00003   0.00008   0.00030   0.00039   1.53622
   A38        1.52767   0.00010   0.00127   0.00187   0.00314   1.53081
   A39        2.22539   0.00003   0.00094   0.00071   0.00164   2.22703
   A40        2.33481   0.00002   0.00261   0.00277   0.00538   2.34020
   A41        0.70553  -0.00001  -0.00008  -0.00018  -0.00027   0.70527
   A42        0.77323  -0.00001  -0.00005  -0.00013  -0.00018   0.77305
   A43        2.68201  -0.00001  -0.00041  -0.00045  -0.00086   2.68115
   A44        2.59223   0.00000  -0.00007  -0.00013  -0.00020   2.59203
   A45        2.62351   0.00001   0.00032   0.00032   0.00064   2.62414
   A46        2.31537   0.00001   0.00022   0.00027   0.00050   2.31587
   A47        2.18585  -0.00002  -0.00005  -0.00008  -0.00013   2.18572
   A48        1.94059  -0.00001   0.00001   0.00001   0.00002   1.94062
   A49        1.12459  -0.00001  -0.00011   0.00001  -0.00010   1.12449
   A50        1.48574  -0.00002  -0.00018  -0.00018  -0.00036   1.48539
   A51        1.59467  -0.00004  -0.00018  -0.00023  -0.00041   1.59426
   A52        1.83312  -0.00005  -0.00043  -0.00044  -0.00087   1.83225
   A53        1.80341  -0.00001  -0.00012  -0.00003  -0.00015   1.80326
   A54        1.51882   0.00010   0.00207   0.00312   0.00519   1.52401
   A55        1.51303   0.00008   0.00141   0.00208   0.00348   1.51651
   A56        1.16473   0.00004   0.00025   0.00058   0.00084   1.16557
   A57        1.12486   0.00011   0.00132   0.00201   0.00334   1.12820
   A58        1.86710   0.00005   0.00094   0.00079   0.00171   1.86882
   A59        1.93465   0.00003   0.00270   0.00299   0.00570   1.94035
   A60        0.84274  -0.00002   0.00015   0.00004   0.00018   0.84293
   A61        0.78659  -0.00001   0.00026   0.00022   0.00047   0.78707
   A62        2.60991  -0.00001  -0.00010   0.00004  -0.00006   2.60985
   A63        2.75649  -0.00001   0.00009   0.00008   0.00018   2.75666
   A64        2.59008   0.00001   0.00009   0.00000   0.00009   2.59017
   A65        2.37743  -0.00002   0.00017   0.00014   0.00031   2.37774
   A66        2.17314  -0.00002   0.00018   0.00014   0.00032   2.17347
   A67        0.87142   0.00000   0.00008   0.00035   0.00043   0.87185
   A68        1.24651  -0.00002   0.00003   0.00018   0.00021   1.24672
   A69        1.43314  -0.00004   0.00006   0.00018   0.00024   1.43337
   A70        1.70648  -0.00004  -0.00013   0.00001  -0.00012   1.70636
   A71        1.52810  -0.00001   0.00001   0.00024   0.00024   1.52834
   A72        1.54637   0.00010   0.00176   0.00265   0.00442   1.55080
   A73        1.42968   0.00008   0.00115   0.00170   0.00283   1.43251
   A74        1.03274   0.00004   0.00018   0.00047   0.00065   1.03339
   A75        0.91777   0.00011   0.00110   0.00174   0.00283   0.92060
   A76        1.71394   0.00006   0.00060   0.00044   0.00102   1.71496
   A77        1.71647   0.00004   0.00258   0.00298   0.00558   1.72205
   A78        1.99505   0.00001  -0.00029  -0.00026  -0.00055   1.99450
   A79        1.92488   0.00001  -0.00007  -0.00001  -0.00007   1.92481
   A80        2.19454   0.00002   0.00020   0.00024   0.00044   2.19498
   A81        2.04560   0.00000   0.00009   0.00014   0.00024   2.04583
   A82        1.53471   0.00000   0.00003   0.00011   0.00014   1.53485
   A83        1.35446   0.00001   0.00010   0.00023   0.00034   1.35480
   A84        1.18436  -0.00001  -0.00002   0.00000  -0.00002   1.18434
   A85        1.37350  -0.00001  -0.00005  -0.00010  -0.00014   1.37336
   A86        1.21288  -0.00002   0.00004  -0.00006  -0.00003   1.21285
   A87        1.32596  -0.00002  -0.00027  -0.00030  -0.00057   1.32539
   A88        1.79975   0.00000   0.00005   0.00005   0.00010   1.79985
   A89        2.14447   0.00008   0.00175   0.00272   0.00446   2.14894
   A90        2.21733   0.00007   0.00131   0.00190   0.00319   2.22052
   A91        1.86038   0.00002   0.00025   0.00048   0.00074   1.86112
   A92        1.75618   0.00008   0.00119   0.00166   0.00284   1.75903
   A93        2.55591   0.00004   0.00079   0.00051   0.00127   2.55718
   A94        2.51384   0.00003   0.00252   0.00284   0.00538   2.51923
   A95        1.91103   0.00000  -0.00037  -0.00032  -0.00069   1.91035
   A96        1.97344   0.00000  -0.00016  -0.00011  -0.00027   1.97317
   A97        2.34213   0.00001   0.00004   0.00007   0.00011   2.34224
   A98        2.28614  -0.00001  -0.00001   0.00001   0.00000   2.28615
   A99        1.63791  -0.00001  -0.00002   0.00007   0.00006   1.63796
   A100       1.52775   0.00000   0.00007   0.00020   0.00027   1.52802
   A101       0.88185   0.00000   0.00003   0.00005   0.00008   0.88193
   A102       1.05695   0.00000  -0.00003  -0.00006  -0.00010   1.05685
   A103       0.93414  -0.00002  -0.00001  -0.00008  -0.00009   0.93405
   A104       1.10103  -0.00003  -0.00034  -0.00033  -0.00066   1.10036
   A105       1.48293   0.00000   0.00007   0.00008   0.00015   1.48308
   A106       2.29201   0.00009   0.00202   0.00299   0.00501   2.29702
   A107       2.21287   0.00006   0.00139   0.00185   0.00322   2.21610
   A108       1.80447   0.00002   0.00050   0.00070   0.00121   1.80568
   A109       1.62079   0.00006   0.00107   0.00140   0.00247   1.62326
   A110       2.41430   0.00006   0.00053   0.00027   0.00077   2.41507
   A111       2.26529   0.00004   0.00220   0.00256   0.00479   2.27007
   A112       0.71335   0.00000   0.00005  -0.00002   0.00003   0.71339
   A113       1.00567  -0.00001   0.00004  -0.00009  -0.00005   1.00561
   A114       0.69356   0.00002  -0.00003  -0.00006  -0.00009   0.69347
   A115       0.97994   0.00002  -0.00004  -0.00009  -0.00013   0.97982
   A116       1.79322   0.00000  -0.00016  -0.00025  -0.00041   1.79282
   A117       1.41523   0.00001  -0.00009  -0.00006  -0.00015   1.41508
   A118       1.17870   0.00003  -0.00014  -0.00012  -0.00026   1.17844
   A119       0.90362   0.00004   0.00004   0.00002   0.00005   0.90367
   A120       1.24597   0.00001   0.00003  -0.00001   0.00003   1.24600
   A121       2.07942  -0.00009  -0.00166  -0.00268  -0.00434   2.07508
   A122       2.06694  -0.00008  -0.00100  -0.00163  -0.00261   2.06433
   A123       2.35583  -0.00004   0.00024   0.00000   0.00022   2.35605
   A124       2.28000  -0.00012  -0.00109  -0.00174  -0.00282   2.27718
   A125       1.67805  -0.00003  -0.00067  -0.00048  -0.00114   1.67691
   A126       1.53399  -0.00002  -0.00217  -0.00226  -0.00442   1.52957
   A127       0.65784  -0.00001  -0.00002  -0.00013  -0.00015   0.65769
   A128       0.66191   0.00001  -0.00002  -0.00006  -0.00008   0.66183
   A129       2.14604   0.00000  -0.00008  -0.00018  -0.00025   2.14579
   A130       1.77900   0.00002  -0.00001  -0.00001  -0.00002   1.77898
   A131       1.47803   0.00003   0.00003   0.00002   0.00005   1.47808
   A132       1.18490   0.00003   0.00017   0.00011   0.00027   1.18518
   A133       1.63869   0.00001   0.00003  -0.00003   0.00000   1.63868
   A134       1.93989  -0.00009  -0.00177  -0.00264  -0.00442   1.93548
   A135       2.09600  -0.00006  -0.00124  -0.00178  -0.00300   2.09300
   A136       2.49295  -0.00003  -0.00025  -0.00052  -0.00078   2.49217
   A137       2.56550  -0.00011  -0.00126  -0.00191  -0.00317   2.56234
   A138       1.80179  -0.00005  -0.00074  -0.00053  -0.00125   1.80054
   A139       1.75628  -0.00003  -0.00263  -0.00286  -0.00549   1.75079
   A140       0.70475   0.00001   0.00004  -0.00002   0.00002   0.70477
   A141       0.84092   0.00001   0.00007  -0.00001   0.00006   0.84099
   A142       2.49499   0.00000  -0.00019  -0.00034  -0.00053   2.49446
   A143       2.11599   0.00001  -0.00012  -0.00016  -0.00028   2.11571
   A144       1.88269   0.00003  -0.00001  -0.00006  -0.00007   1.88262
   A145       1.59514   0.00004   0.00017   0.00008   0.00025   1.59539
   A146       1.84975   0.00000  -0.00020  -0.00030  -0.00050   1.84926
   A147       1.51288  -0.00009  -0.00183  -0.00263  -0.00446   1.50842
   A148       1.71381  -0.00006  -0.00133  -0.00174  -0.00306   1.71075
   A149       2.12858  -0.00003  -0.00056  -0.00076  -0.00133   2.12725
   A150       2.31563  -0.00008  -0.00121  -0.00163  -0.00285   2.31279
   A151       1.50799  -0.00006  -0.00077  -0.00054  -0.00129   1.50670
   A152       1.56669  -0.00004  -0.00285  -0.00319  -0.00606   1.56063
   A153       0.76664  -0.00002  -0.00015  -0.00028  -0.00042   0.76622
   A154       0.77809  -0.00001  -0.00015  -0.00028  -0.00043   0.77766
   A155       2.79861  -0.00001  -0.00011  -0.00033  -0.00045   2.79817
   A156       2.42065   0.00000  -0.00006  -0.00016  -0.00022   2.42043
   A157       2.13245   0.00002   0.00004  -0.00010  -0.00007   2.13239
   A158       1.83858   0.00002   0.00015  -0.00002   0.00012   1.83870
   A159       2.16365   0.00000  -0.00011  -0.00025  -0.00036   2.16330
   A160       1.36700  -0.00006  -0.00152  -0.00207  -0.00359   1.36341
   A161       1.66017  -0.00002  -0.00103  -0.00123  -0.00226   1.65791
   A162       2.05847   0.00001  -0.00056  -0.00065  -0.00121   2.05725
   A163       2.32002  -0.00001  -0.00065  -0.00076  -0.00142   2.31861
   A164       1.57758  -0.00005  -0.00041  -0.00017  -0.00056   1.57703
   A165       1.71829  -0.00003  -0.00246  -0.00284  -0.00533   1.71296
   A166       2.11545   0.00001   0.00013   0.00009   0.00022   2.11567
   A167       1.82546   0.00002   0.00019   0.00021   0.00040   1.82586
   A168       1.43628   0.00003   0.00029   0.00026   0.00054   1.43682
   A169       1.16017   0.00004   0.00030   0.00024   0.00054   1.16071
   A170       1.84885   0.00003   0.00023   0.00019   0.00042   1.84927
   A171       2.13036  -0.00007  -0.00159  -0.00221  -0.00381   2.12655
   A172       2.41013  -0.00005  -0.00127  -0.00169  -0.00294   2.40719
   A173       2.82207  -0.00001  -0.00065  -0.00089  -0.00156   2.82052
   A174       2.19097  -0.00004  -0.00077  -0.00058  -0.00132   2.18965
   A175       2.16250  -0.00001  -0.00264  -0.00289  -0.00553   2.15696
   A176       2.20317   0.00001   0.00020   0.00022   0.00042   2.20360
   A177       1.99435   0.00002   0.00024   0.00028   0.00052   1.99486
   A178       1.58252   0.00003   0.00036   0.00033   0.00069   1.58321
   A179       1.33851   0.00003   0.00029   0.00024   0.00053   1.33903
   A180       2.10226   0.00002   0.00027   0.00024   0.00051   2.10277
   A181       2.04672  -0.00005  -0.00119  -0.00155  -0.00275   2.04397
   A182       2.40944  -0.00003  -0.00100  -0.00121  -0.00221   2.40723
   A183       2.72586   0.00001  -0.00079  -0.00085  -0.00164   2.72421
   A184       2.34011  -0.00006  -0.00065  -0.00051  -0.00114   2.33897
   A185       2.39349  -0.00003  -0.00277  -0.00313  -0.00591   2.38757
   A186       0.68960  -0.00003  -0.00014  -0.00018  -0.00032   0.68927
   A187       0.98028  -0.00003  -0.00022  -0.00024  -0.00044   0.97984
   A188       0.69746   0.00000   0.00001  -0.00003  -0.00002   0.69744
   A189       2.02353   0.00006   0.00122   0.00171   0.00292   2.02645
   A190       1.66985   0.00002   0.00077   0.00091   0.00167   1.67152
   A191       1.31849  -0.00001   0.00062   0.00080   0.00143   1.31991
   A192       1.02639  -0.00001   0.00023   0.00024   0.00047   1.02687
   A193       1.62012   0.00006   0.00006  -0.00010  -0.00007   1.62005
   A194       1.39999   0.00004   0.00180   0.00219   0.00404   1.40403
   A195       0.66631  -0.00001  -0.00010  -0.00002  -0.00011   0.66620
   A196       2.21906   0.00001   0.00053   0.00060   0.00111   2.22017
   A197       1.82417  -0.00002   0.00032   0.00021   0.00052   1.82469
   A198       1.56126  -0.00003   0.00057   0.00062   0.00119   1.56245
   A199       1.26553  -0.00006  -0.00023  -0.00049  -0.00071   1.26482
   A200       1.62699   0.00004  -0.00030  -0.00036  -0.00068   1.62631
   A201       1.34908   0.00003   0.00092   0.00132   0.00229   1.35137
   A202       0.71047   0.00001  -0.00002   0.00008   0.00007   0.71054
   A203       2.62796   0.00000   0.00022   0.00025   0.00043   2.62839
   A204       2.23077  -0.00003   0.00007  -0.00001   0.00006   2.23083
   A205       1.97042  -0.00004   0.00046   0.00059   0.00106   1.97147
   A206       1.67306  -0.00006  -0.00025  -0.00039  -0.00064   1.67242
   A207       1.97585   0.00004  -0.00062  -0.00055  -0.00119   1.97466
   A208       1.68172   0.00003   0.00014   0.00057   0.00076   1.68248
   A209       0.83291   0.00000   0.00014   0.00021   0.00035   0.83326
   A210       2.74655  -0.00003  -0.00068  -0.00125  -0.00197   2.74458
   A211       2.38750  -0.00004  -0.00017  -0.00045  -0.00062   2.38688
   A212       2.21869  -0.00004   0.00049   0.00060   0.00110   2.21979
   A213       1.92755  -0.00008  -0.00040  -0.00062  -0.00102   1.92654
   A214       2.03870   0.00003  -0.00059  -0.00047  -0.00106   2.03764
   A215       1.74781   0.00002  -0.00040  -0.00007  -0.00042   1.74739
   A216       1.94390  -0.00002  -0.00029  -0.00060  -0.00091   1.94299
   A217       1.55832  -0.00004  -0.00023  -0.00053  -0.00075   1.55757
   A218       1.43145  -0.00004   0.00039   0.00037   0.00076   1.43221
   A219       1.17572  -0.00010  -0.00084  -0.00129  -0.00212   1.17360
   A220       1.26538   0.00003  -0.00061  -0.00064  -0.00126   1.26412
   A221       0.97180   0.00002   0.00022   0.00057   0.00086   0.97266
   A222       0.70581   0.00006   0.00066   0.00103   0.00171   0.70752
   A223       0.99752   0.00007   0.00098   0.00146   0.00243   0.99994
   A224       0.70816  -0.00006  -0.00006  -0.00068  -0.00071   0.70744
   A225       1.00066  -0.00005  -0.00023  -0.00105  -0.00134   0.99932
   A226       0.66149   0.00001   0.00043   0.00055   0.00097   0.66246
   A227       0.67040  -0.00007   0.00049  -0.00020   0.00026   0.67066
   A228       0.70240   0.00001   0.00068   0.00020   0.00086   0.70326
   A229       0.82293  -0.00003   0.00237   0.00221   0.00457   0.82750
   A230       0.80910  -0.00002  -0.00047  -0.00116  -0.00165   0.80745
   A231       0.81018  -0.00008   0.00139   0.00101   0.00241   0.81259
   A232       1.69015  -0.00003  -0.00105  -0.00119  -0.00224   1.68791
   A233       1.79744   0.00013  -0.00228   0.00078  -0.00150   1.79594
   A234       2.19175  -0.00002  -0.00003  -0.00002  -0.00005   2.19170
   A235       2.12921  -0.00002   0.00016   0.00008   0.00022   2.12943
   A236       1.96199   0.00005  -0.00015  -0.00006  -0.00019   1.96180
   A237       2.12307   0.00002  -0.00011   0.00000  -0.00011   2.12296
   A238       2.12187  -0.00001   0.00006   0.00006   0.00011   2.12197
   A239       2.03778  -0.00001  -0.00003  -0.00007  -0.00011   2.03767
   A240       1.73914   0.00002   0.00103   0.00139   0.00243   1.74157
   A241       2.62647  -0.00003  -0.00084  -0.00131  -0.00216   2.62431
   A242       1.91160   0.00000  -0.00005  -0.00006  -0.00011   1.91149
   A243       1.91487  -0.00003   0.00033  -0.00019   0.00014   1.91501
   A244       1.92258   0.00000  -0.00048   0.00010  -0.00039   1.92219
   A245       1.90818   0.00002   0.00010   0.00017   0.00027   1.90846
   A246       1.91080   0.00001  -0.00010  -0.00010  -0.00020   1.91060
   A247       1.89567   0.00001   0.00021   0.00008   0.00029   1.89595
   A248       1.36259   0.00005  -0.00017   0.00022   0.00005   1.36264
   A249       1.90747   0.00002   0.00009   0.00008   0.00017   1.90764
   A250       1.90725   0.00004  -0.00014   0.00011  -0.00003   1.90722
   A251       1.93022  -0.00002   0.00007  -0.00007  -0.00001   1.93021
   A252       1.90993   0.00001  -0.00012  -0.00003  -0.00014   1.90978
   A253       1.89578  -0.00001  -0.00002  -0.00007  -0.00009   1.89568
   A254       1.91307  -0.00003   0.00012  -0.00002   0.00010   1.91317
   A255       1.71692  -0.00001   0.00006  -0.00012  -0.00006   1.71685
   A256       1.78093   0.00001  -0.00006   0.00014   0.00008   1.78101
   A257       2.19039  -0.00001  -0.00002  -0.00006  -0.00008   2.19031
   A258       2.12992   0.00000   0.00001   0.00005   0.00006   2.12998
   A259       1.96268   0.00000   0.00001   0.00001   0.00002   1.96270
   A260       2.12292  -0.00002  -0.00004  -0.00005  -0.00010   2.12282
   A261       2.12417   0.00003  -0.00004   0.00001  -0.00003   2.12414
   A262       2.03604  -0.00001   0.00008   0.00005   0.00013   2.03617
   A263       1.34851  -0.00004  -0.00124  -0.00120  -0.00244   1.34607
   A264       1.90121  -0.00007  -0.00003  -0.00017  -0.00021   1.90100
   A265       1.93144   0.00001   0.00014   0.00000   0.00015   1.93159
   A266       1.90954  -0.00002  -0.00004   0.00009   0.00005   1.90960
   A267       1.89788   0.00002   0.00003   0.00009   0.00012   1.89801
   A268       1.91302   0.00003  -0.00009  -0.00003  -0.00012   1.91290
   A269       1.91063   0.00003  -0.00001   0.00001   0.00000   1.91063
   A270       2.63320   0.00001  -0.00019  -0.00014  -0.00034   2.63287
   A271       1.73119  -0.00002   0.00021   0.00017   0.00039   1.73158
   A272       1.92365   0.00001   0.00006  -0.00012  -0.00006   1.92358
   A273       1.91603  -0.00001   0.00002  -0.00002  -0.00001   1.91603
   A274       1.91432  -0.00002   0.00002  -0.00005  -0.00003   1.91429
   A275       1.89419   0.00001  -0.00008   0.00007  -0.00001   1.89418
   A276       1.91016   0.00000  -0.00003   0.00003   0.00000   1.91017
   A277       1.90527   0.00000   0.00000   0.00010   0.00010   1.90537
   A278       1.82021   0.00002  -0.00085  -0.00007  -0.00092   1.81929
   A279       1.74851   0.00005   0.00109   0.00108   0.00218   1.75069
   A280       2.18965  -0.00001  -0.00005  -0.00008  -0.00013   2.18952
   A281       2.13064  -0.00003  -0.00001   0.00001   0.00000   2.13064
   A282       1.96280   0.00004   0.00006   0.00008   0.00014   1.96294
   A283       2.12163  -0.00005   0.00001  -0.00007  -0.00005   2.12158
   A284       2.11507   0.00001  -0.00007   0.00000  -0.00007   2.11500
   A285       2.04229   0.00003   0.00005   0.00003   0.00009   2.04237
   A286       2.70512  -0.00005  -0.00086  -0.00094  -0.00179   2.70333
   A287       1.65492   0.00004   0.00091   0.00084   0.00175   1.65667
   A288       1.92606  -0.00002  -0.00018   0.00004  -0.00014   1.92592
   A289       1.91476  -0.00003   0.00000  -0.00004  -0.00003   1.91473
   A290       1.91154   0.00002  -0.00002   0.00003   0.00001   1.91154
   A291       1.89257  -0.00003   0.00017  -0.00012   0.00005   1.89261
   A292       1.91212   0.00001   0.00005   0.00008   0.00012   1.91225
   A293       1.90660   0.00003  -0.00002   0.00001   0.00000   1.90660
   A294       1.35547  -0.00004  -0.00151  -0.00188  -0.00340   1.35207
   A295       1.14939   0.00001   0.00065   0.00083   0.00149   1.15088
   A296       1.93319   0.00000   0.00003   0.00004   0.00007   1.93326
   A297       1.90659  -0.00001  -0.00004   0.00016   0.00012   1.90671
   A298       1.90145   0.00001  -0.00004  -0.00012  -0.00018   1.90127
   A299       1.90944   0.00003   0.00001   0.00004   0.00005   1.90948
   A300       1.89853  -0.00001   0.00004   0.00007   0.00011   1.89864
   A301       1.91457  -0.00002   0.00001  -0.00019  -0.00017   1.91440
   A302       1.77390  -0.00011  -0.00793  -0.00604  -0.01389   1.76001
   A303       1.68878   0.00004   0.00880   0.00595   0.01476   1.70354
   A304       2.19533  -0.00007  -0.00010   0.00000  -0.00020   2.19512
   A305       2.12901   0.00002  -0.00015  -0.00035  -0.00030   2.12871
   A306       1.95867   0.00006   0.00027   0.00033   0.00051   1.95918
   A307       2.12957   0.00003  -0.00042  -0.00003  -0.00043   2.12914
   A308       2.12388  -0.00015  -0.00036  -0.00043  -0.00078   2.12311
   A309       2.02903   0.00012   0.00063   0.00048   0.00103   2.03007
   A310       1.59367  -0.00025  -0.00662  -0.00826  -0.01483   1.57884
   A311       2.76728   0.00013   0.00652   0.00749   0.01390   2.78118
   A312       1.91058  -0.00007  -0.00001  -0.00027  -0.00017   1.91041
   A313       1.91662   0.00003  -0.00022   0.00024  -0.00028   1.91634
   A314       1.91495  -0.00014   0.00072   0.00002   0.00063   1.91558
   A315       1.91305   0.00012  -0.00026   0.00038   0.00019   1.91325
   A316       1.91656   0.00010  -0.00023   0.00052   0.00029   1.91685
   A317       1.89198  -0.00002  -0.00001  -0.00089  -0.00067   1.89132
   A318       1.64141  -0.00019   0.00727   0.01019   0.01743   1.65885
   A319       1.91584  -0.00003  -0.00050   0.00032  -0.00021   1.91563
   A320       1.92155  -0.00019   0.00038   0.00022   0.00037   1.92192
   A321       1.91962   0.00014   0.00034  -0.00058  -0.00014   1.91948
   A322       1.90748  -0.00006  -0.00066  -0.00039  -0.00093   1.90655
   A323       1.90854   0.00016   0.00024   0.00095   0.00120   1.90974
   A324       1.89056  -0.00002   0.00020  -0.00053  -0.00029   1.89026
   A325       2.91441   0.00000   0.00024   0.00013   0.00037   2.91477
   A326       3.31243   0.00010   0.00116   0.00185   0.00301   3.31544
   A327       3.02958   0.00011   0.00117   0.00191   0.00307   3.03265
   A328       3.27565   0.00001  -0.00005   0.00020   0.00015   3.27580
   A329       3.25914  -0.00001  -0.00125  -0.00119  -0.00244   3.25670
   A330       3.26490  -0.00001  -0.00151  -0.00184  -0.00335   3.26156
   A331       3.54995  -0.00003   0.00751   0.01114   0.01863   3.56859
   A332       3.21502   0.00000   0.00013   0.00025   0.00038   3.21541
   A333       3.11018   0.00000  -0.00058  -0.00058  -0.00116   3.10902
   A334       3.06177  -0.00001  -0.00056  -0.00071  -0.00128   3.06050
   A335       3.22827   0.00001   0.00003   0.00041   0.00044   3.22872
   A336       3.07353   0.00000   0.00010   0.00049   0.00059   3.07412
   A337       3.10164  -0.00001  -0.00002   0.00002  -0.00001   3.10163
   A338       3.01744  -0.00004  -0.00236   0.00137  -0.00090   3.01654
    D1        2.74421  -0.00001  -0.00008   0.00029   0.00021   2.74442
    D2       -1.35521  -0.00001  -0.00102   0.00018  -0.00083  -1.35604
    D3        2.72557  -0.00002   0.00050   0.00083   0.00133   2.72689
    D4       -1.37385  -0.00001  -0.00043   0.00072   0.00028  -1.37357
    D5        1.62174  -0.00002   0.00054   0.00048   0.00101   1.62276
    D6       -2.47768  -0.00002  -0.00039   0.00037  -0.00003  -2.47771
    D7        1.77814  -0.00002   0.00040   0.00044   0.00084   1.77897
    D8       -2.32128  -0.00002  -0.00054   0.00034  -0.00021  -2.32149
    D9        0.23954   0.00001   0.00051   0.00096   0.00148   0.24102
   D10        2.42331   0.00002  -0.00042   0.00085   0.00043   2.42374
   D11       -0.02794   0.00000   0.00045   0.00068   0.00113  -0.02681
   D12        2.15582   0.00000  -0.00049   0.00057   0.00008   2.15591
   D13       -0.48946  -0.00002   0.00037   0.00058   0.00094  -0.48851
   D14        1.69431  -0.00001  -0.00056   0.00047  -0.00010   1.69421
   D15       -0.61269   0.00000   0.00052   0.00069   0.00121  -0.61147
   D16        1.57108   0.00000  -0.00041   0.00058   0.00017   1.57125
   D17        0.15476  -0.00002   0.00038   0.00042   0.00079   0.15555
   D18        2.33853  -0.00001  -0.00056   0.00031  -0.00026   2.33827
   D19        0.10635  -0.00003   0.00040   0.00028   0.00067   0.10703
   D20        2.29012  -0.00003  -0.00054   0.00017  -0.00037   2.28975
   D21        2.28920  -0.00002   0.00055   0.00052   0.00107   2.29027
   D22       -1.81022  -0.00001  -0.00039   0.00041   0.00003  -1.81019
   D23        2.03489   0.00000   0.00062   0.00067   0.00129   2.03617
   D24       -2.06454   0.00000  -0.00031   0.00056   0.00025  -2.06429
   D25        1.59780   0.00002   0.00066   0.00073   0.00138   1.59918
   D26       -2.50162   0.00002  -0.00028   0.00062   0.00034  -2.50128
   D27        1.29047   0.00003   0.00066   0.00078   0.00143   1.29190
   D28       -2.80895   0.00003  -0.00027   0.00067   0.00039  -2.80856
   D29        2.22300   0.00000   0.00093   0.00082   0.00174   2.22474
   D30       -1.87642   0.00000  -0.00001   0.00071   0.00070  -1.87572
   D31       -1.97425   0.00005   0.00195   0.00262   0.00457  -1.96968
   D32        0.20952   0.00006   0.00102   0.00251   0.00353   0.21304
   D33       -2.28773   0.00001   0.00154   0.00175   0.00328  -2.28444
   D34       -0.10396   0.00001   0.00061   0.00164   0.00224  -0.10172
   D35       -2.67477  -0.00001   0.00112   0.00133   0.00245  -2.67232
   D36       -0.49101  -0.00001   0.00019   0.00122   0.00141  -0.48960
   D37       -2.95542  -0.00002   0.00096   0.00099   0.00195  -2.95347
   D38       -0.77165  -0.00001   0.00002   0.00088   0.00091  -0.77075
   D39       -2.24000   0.00003   0.00104   0.00058   0.00158  -2.23841
   D40       -0.05623   0.00004   0.00010   0.00047   0.00054  -0.05569
   D41       -2.48449   0.00001   0.00373   0.00394   0.00777  -2.47672
   D42       -0.30073   0.00001   0.00279   0.00383   0.00673  -0.29400
   D43        1.33060   0.00001  -0.00112  -0.00085  -0.00196   1.32863
   D44       -1.97323   0.00001   0.00002  -0.00083  -0.00081  -1.97404
   D45        2.48392  -0.00001  -0.00056  -0.00064  -0.00120   2.48272
   D46       -0.81991  -0.00001   0.00058  -0.00062  -0.00004  -0.81995
   D47        2.94659  -0.00001  -0.00056  -0.00063  -0.00120   2.94539
   D48       -0.35724  -0.00002   0.00058  -0.00062  -0.00004  -0.35728
   D49        2.82937   0.00002  -0.00031  -0.00061  -0.00093   2.82845
   D50       -0.47445   0.00001   0.00082  -0.00059   0.00023  -0.47422
   D51        2.01819   0.00001  -0.00009  -0.00025  -0.00034   2.01786
   D52       -1.28563   0.00001   0.00105  -0.00023   0.00082  -1.28481
   D53        1.15618   0.00000  -0.00036  -0.00037  -0.00073   1.15545
   D54       -2.14765  -0.00001   0.00078  -0.00035   0.00043  -2.14722
   D55        1.03658   0.00002  -0.00035  -0.00036  -0.00071   1.03586
   D56       -2.26725   0.00002   0.00079  -0.00034   0.00044  -2.26681
   D57        2.02721  -0.00001  -0.00053  -0.00073  -0.00126   2.02595
   D58       -1.27661  -0.00001   0.00061  -0.00071  -0.00011  -1.27672
   D59        1.85746  -0.00001  -0.00062  -0.00084  -0.00146   1.85600
   D60       -1.44637  -0.00002   0.00052  -0.00082  -0.00030  -1.44667
   D61       -2.31126   0.00000  -0.00042  -0.00059  -0.00101  -2.31227
   D62        0.66810  -0.00001   0.00072  -0.00057   0.00015   0.66825
   D63       -2.43319   0.00000  -0.00043  -0.00061  -0.00104  -2.43423
   D64        0.54617   0.00000   0.00071  -0.00059   0.00012   0.54629
   D65       -2.83309   0.00001  -0.00030  -0.00057  -0.00088  -2.83397
   D66        0.14627   0.00000   0.00084  -0.00055   0.00028   0.14655
   D67       -3.00708   0.00001  -0.00045  -0.00073  -0.00118  -3.00826
   D68       -0.02772   0.00000   0.00069  -0.00071  -0.00002  -0.02774
   D69       -2.14680   0.00000  -0.00035  -0.00055  -0.00091  -2.14771
   D70        0.83256   0.00000   0.00078  -0.00053   0.00025   0.83281
   D71       -0.20476   0.00001  -0.00018  -0.00044  -0.00062  -0.20538
   D72        2.77460   0.00000   0.00096  -0.00042   0.00053   2.77513
   D73       -0.60255  -0.00002  -0.00024  -0.00060  -0.00084  -0.60340
   D74        2.37681  -0.00003   0.00089  -0.00058   0.00031   2.37712
   D75       -0.83616  -0.00002   0.00025   0.00009   0.00033  -0.83582
   D76        2.14320  -0.00003   0.00138   0.00011   0.00149   2.14469
   D77       -1.16035  -0.00005  -0.00053  -0.00094  -0.00147  -1.16182
   D78        1.81901  -0.00005   0.00061  -0.00093  -0.00031   1.81869
   D79       -0.82948   0.00004  -0.00087  -0.00110  -0.00199  -0.83147
   D80        2.14988   0.00003   0.00027  -0.00108  -0.00084   2.14904
   D81       -1.13437   0.00002  -0.00003   0.00018   0.00019  -1.13417
   D82        1.84499   0.00002   0.00111   0.00020   0.00135   1.84634
   D83       -1.50093  -0.00002   0.00025   0.00006   0.00031  -1.50062
   D84       -2.59680  -0.00001   0.00007   0.00017   0.00023  -2.59656
   D85       -2.95807  -0.00001   0.00035   0.00060   0.00095  -2.95712
   D86        0.71037   0.00000   0.00030   0.00031   0.00061   0.71098
   D87        0.29213   0.00000   0.00028   0.00031   0.00060   0.29273
   D88       -0.08895   0.00000   0.00041   0.00050   0.00091  -0.08804
   D89       -0.41756   0.00001   0.00033   0.00047   0.00080  -0.41676
   D90        0.17609  -0.00001   0.00007   0.00008   0.00015   0.17623
   D91       -0.04922  -0.00002   0.00003   0.00002   0.00005  -0.04917
   D92        2.35878   0.00000   0.00021   0.00012   0.00034   2.35912
   D93        2.01434   0.00001   0.00026   0.00028   0.00054   2.01488
   D94        1.61674   0.00002   0.00037   0.00031   0.00068   1.61742
   D95        1.33241   0.00002   0.00036   0.00028   0.00063   1.33304
   D96        2.02403   0.00001   0.00032   0.00029   0.00061   2.02464
   D97       -2.04961   0.00004   0.00128   0.00158   0.00288  -2.04673
   D98       -2.52783  -0.00002   0.00053   0.00033   0.00086  -2.52697
   D99       -2.76781  -0.00003   0.00080   0.00080   0.00160  -2.76621
   D100      -3.05489  -0.00008  -0.00033  -0.00073  -0.00106  -3.05595
   D101      -2.89709   0.00006  -0.00077  -0.00082  -0.00162  -2.89871
   D102       2.86793   0.00002  -0.00142  -0.00111  -0.00252   2.86541
   D103      -2.86830  -0.00003  -0.00018  -0.00081  -0.00100  -2.86930
   D104       1.22585  -0.00004  -0.00019  -0.00087  -0.00107   1.22478
   D105       2.87036  -0.00001  -0.00073  -0.00077  -0.00150   2.86886
   D106       0.68132  -0.00001  -0.00074  -0.00083  -0.00156   0.67976
   D107       2.38356  -0.00001  -0.00061  -0.00051  -0.00112   2.38243
   D108       0.19452  -0.00001  -0.00062  -0.00057  -0.00119   0.19333
   D109       1.79334   0.00002  -0.00037  -0.00013  -0.00050   1.79283
   D110      -0.39571   0.00002  -0.00038  -0.00019  -0.00057  -0.39627
   D111       2.62689   0.00000  -0.00050  -0.00057  -0.00108   2.62581
   D112       0.43785   0.00000  -0.00051  -0.00063  -0.00114   0.43671
   D113       2.29680   0.00001  -0.00041  -0.00047  -0.00089   2.29592
   D114       0.10776   0.00001  -0.00042  -0.00053  -0.00095   0.10681
   D115      -1.61037   0.00002   0.00010   0.00007   0.00017  -1.61019
   D116       2.48378   0.00002   0.00009   0.00002   0.00011   2.48389
   D117      -1.77287   0.00000  -0.00023  -0.00029  -0.00052  -1.77338
   D118       2.32128   0.00000  -0.00024  -0.00035  -0.00058   2.32070
   D119      -2.73557   0.00001   0.00004   0.00005   0.00010  -2.73547
   D120       1.35858   0.00001   0.00003   0.00000   0.00003   1.35861
   D121      -2.71236   0.00002  -0.00004   0.00000  -0.00004  -2.71240
   D122       1.38179   0.00001  -0.00005  -0.00005  -0.00011   1.38168
   D123       1.38377   0.00001  -0.00040  -0.00045  -0.00085   1.38292
   D124      -0.80527   0.00001  -0.00041  -0.00051  -0.00092  -0.80619
   D125       1.34881   0.00001  -0.00049  -0.00051  -0.00100   1.34781
   D126      -0.84023   0.00001  -0.00050  -0.00056  -0.00106  -0.84129
   D127       1.70303   0.00001  -0.00068  -0.00060  -0.00128   1.70175
   D128      -0.48601   0.00001  -0.00069  -0.00066  -0.00134  -0.48735
   D129       1.82362   0.00001  -0.00050  -0.00042  -0.00091   1.82271
   D130      -0.36542   0.00001  -0.00050  -0.00048  -0.00098  -0.36640
   D131       0.94519   0.00000  -0.00066  -0.00070  -0.00136   0.94383
   D132      -1.24385   0.00000  -0.00067  -0.00076  -0.00143  -1.24527
   D133      -0.88098   0.00001  -0.00067  -0.00054  -0.00120  -0.88218
   D134      -3.07002   0.00000  -0.00068  -0.00060  -0.00127  -3.07129
   D135      -0.42705   0.00002  -0.00085  -0.00079  -0.00164  -0.42868
   D136      -2.61609   0.00002  -0.00086  -0.00085  -0.00170  -2.61779
   D137      -0.05078   0.00002  -0.00114  -0.00134  -0.00249  -0.05327
   D138      -2.23982   0.00002  -0.00115  -0.00140  -0.00256  -2.24238
   D139       0.34307   0.00000  -0.00084  -0.00097  -0.00181   0.34126
   D140      -1.84597   0.00000  -0.00085  -0.00103  -0.00188  -1.84785
   D141      -0.26229  -0.00004  -0.00028  -0.00020  -0.00046  -0.26275
   D142      -2.45133  -0.00004  -0.00029  -0.00026  -0.00053  -2.45186
   D143      -0.00328  -0.00003  -0.00175  -0.00219  -0.00399  -0.00727
   D144      -2.19232  -0.00003  -0.00176  -0.00225  -0.00406  -2.19638
   D145      -2.48485  -0.00002   0.00027   0.00016   0.00043  -2.48442
   D146      -2.71204  -0.00001  -0.00018   0.00001  -0.00016  -2.71220
   D147      -2.36576  -0.00001  -0.00021  -0.00016  -0.00037  -2.36614
   D148       3.03009  -0.00001  -0.00020  -0.00003  -0.00023   3.02986
   D149       2.66175  -0.00001  -0.00031  -0.00014  -0.00045   2.66130
   D150       1.51585   0.00000   0.00050   0.00071   0.00121   1.51706
   D151       2.61413   0.00002   0.00038   0.00063   0.00102   2.61515
   D152       2.97801   0.00001   0.00031   0.00058   0.00090   2.97891
   D153       1.27569  -0.00002  -0.00028  -0.00006  -0.00033   1.27536
   D154       1.30468  -0.00002  -0.00017   0.00006  -0.00011   1.30457
   D155       1.68262  -0.00001  -0.00027   0.00004  -0.00023   1.68239
   D156       1.74434   0.00000   0.00004   0.00033   0.00038   1.74472
   D157       0.93920  -0.00002  -0.00022   0.00001  -0.00021   0.93900
   D158      -1.00328   0.00003   0.00062   0.00140   0.00202  -1.00126
   D159      -0.65973   0.00004   0.00044   0.00111   0.00154  -0.65818
   D160      -0.64000   0.00004  -0.00041  -0.00003  -0.00043  -0.64043
   D161      -0.34730   0.00012   0.00114   0.00206   0.00318  -0.34412
   D162      -0.29379  -0.00003   0.00064   0.00080   0.00145  -0.29234
   D163      -0.00342  -0.00003   0.00051   0.00047   0.00095  -0.00248
   D164      -1.25645  -0.00004  -0.00003  -0.00116  -0.00120  -1.25765
   D165       1.70103  -0.00004  -0.00006  -0.00050  -0.00057   1.70046
   D166      -1.61635  -0.00002  -0.00047  -0.00116  -0.00162  -1.61797
   D167       1.34114  -0.00002  -0.00050  -0.00050  -0.00100   1.34014
   D168      -1.67996  -0.00002  -0.00048  -0.00115  -0.00162  -1.68158
   D169       1.27752  -0.00002  -0.00051  -0.00049  -0.00100   1.27652
   D170      -1.96214  -0.00001  -0.00013  -0.00057  -0.00070  -1.96284
   D171       0.99534   0.00000  -0.00017   0.00009  -0.00007   0.99527
   D172      -1.97016  -0.00002  -0.00043  -0.00114  -0.00157  -1.97173
   D173       0.98732  -0.00001  -0.00046  -0.00048  -0.00094   0.98638
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   D175       0.68714  -0.00001  -0.00045  -0.00045  -0.00091   0.68623
   D176       1.98384  -0.00001   0.00015  -0.00052  -0.00037   1.98346
   D177      -1.34187  -0.00001   0.00011   0.00014   0.00025  -1.34161
   D178       0.83704   0.00001   0.00007  -0.00055  -0.00048   0.83656
   D179      -2.48867   0.00001   0.00004   0.00011   0.00015  -2.48851
   D180       0.37171   0.00001  -0.00015  -0.00075  -0.00090   0.37081
   D181      -2.95400   0.00001  -0.00018  -0.00009  -0.00027  -2.95426
   D182      -3.05980  -0.00001  -0.00038  -0.00118  -0.00156  -3.06137
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   D185      -0.36977   0.00000  -0.00041  -0.00039  -0.00079  -0.37057
   D186       3.09859   0.00000  -0.00047  -0.00107  -0.00153   3.09706
   D187      -0.22712   0.00001  -0.00050  -0.00041  -0.00091  -0.22802
   D188       2.99371   0.00001  -0.00015  -0.00078  -0.00093   2.99278
   D189      -0.33200   0.00001  -0.00018  -0.00012  -0.00030  -0.33230
   D190       2.51439  -0.00001  -0.00050  -0.00123  -0.00173   2.51266
   D191      -0.81132  -0.00001  -0.00053  -0.00057  -0.00110  -0.81241
   D192       0.26708   0.00005   0.00109   0.00138   0.00246   0.26954
   D193      -3.05862   0.00006   0.00106   0.00204   0.00309  -3.05553
   D194       0.64035   0.00006   0.00041   0.00049   0.00087   0.64123
   D195      -2.68535   0.00006   0.00038   0.00115   0.00150  -2.68385
   D196       0.52887   0.00006  -0.00164  -0.00171  -0.00331   0.52556
   D197      -2.79683   0.00006  -0.00167  -0.00105  -0.00268  -2.79951
   D198       1.12498  -0.00006   0.00022  -0.00048  -0.00024   1.12474
   D199      -2.20072  -0.00006   0.00019   0.00018   0.00039  -2.20034
   D200       1.48414  -0.00006  -0.00111  -0.00224  -0.00339   1.48075
   D201      -1.84157  -0.00005  -0.00115  -0.00158  -0.00276  -1.84433
   D202       1.64822   0.00002  -0.00054   0.00002  -0.00052   1.64771
   D203      -0.56924   0.00002  -0.00068  -0.00045  -0.00112  -0.57037
   D204       1.68640   0.00002  -0.00030   0.00008  -0.00022   1.68618
   D205      -0.53107   0.00001  -0.00044  -0.00039  -0.00083  -0.53190
   D206       1.33119   0.00003  -0.00023   0.00024   0.00001   1.33120
   D207      -0.88627   0.00002  -0.00037  -0.00023  -0.00060  -0.88687
   D208       1.17165   0.00003  -0.00053  -0.00005  -0.00058   1.17107
   D209      -1.04581   0.00003  -0.00067  -0.00052  -0.00119  -1.04700
   D210       2.10333   0.00001  -0.00031   0.00004  -0.00028   2.10305
   D211      -0.11414   0.00001  -0.00045  -0.00043  -0.00088  -0.11502
   D212       2.21558   0.00002  -0.00023   0.00007  -0.00016   2.21542
   D213      -0.00188   0.00001  -0.00036  -0.00040  -0.00077  -0.00265
   D214      -2.23692   0.00002  -0.00057  -0.00015  -0.00073  -2.23765
   D215       1.82880   0.00002  -0.00071  -0.00062  -0.00133   1.82746
   D216      -2.42573   0.00002  -0.00038   0.00008  -0.00030  -2.42603
   D217       1.63999   0.00002  -0.00052  -0.00039  -0.00091   1.63908
   D218      -2.07666   0.00003  -0.00006   0.00034   0.00028  -2.07638
   D219       1.98906   0.00003  -0.00020  -0.00013  -0.00033   1.98873
   D220      -2.27470   0.00000  -0.00013   0.00029   0.00016  -2.27455
   D221       1.79102   0.00000  -0.00027  -0.00018  -0.00045   1.79056
   D222      -2.90540   0.00000  -0.00037   0.00013  -0.00025  -2.90565
   D223       1.16032   0.00000  -0.00051  -0.00034  -0.00085   1.15946
   D224       3.04868   0.00001  -0.00037   0.00018  -0.00019   3.04849
   D225       0.83121   0.00000  -0.00051  -0.00029  -0.00079   0.83042
   D226      -2.71029   0.00000  -0.00020   0.00000  -0.00020  -2.71049
   D227       1.35543  -0.00001  -0.00034  -0.00047  -0.00081   1.35462
   D228      -2.65138   0.00000  -0.00056  -0.00025  -0.00082  -2.65220
   D229       1.41434   0.00000  -0.00070  -0.00072  -0.00142   1.41291
   D230      -1.55975   0.00004  -0.00013   0.00031   0.00018  -1.55957
   D231       2.50597   0.00003  -0.00027  -0.00016  -0.00043   2.50554
   D232       0.06168  -0.00006  -0.00202  -0.00268  -0.00472   0.05696
   D233      -2.15579  -0.00007  -0.00216  -0.00315  -0.00533  -2.16111
   D234      -0.12751  -0.00006  -0.00142  -0.00164  -0.00305  -0.13056
   D235      -2.34498  -0.00006  -0.00156  -0.00211  -0.00366  -2.34863
   D236       0.09549  -0.00002  -0.00027  -0.00007  -0.00034   0.09514
   D237      -2.12198  -0.00002  -0.00040  -0.00054  -0.00095  -2.12293
   D238       0.03304  -0.00012  -0.00182  -0.00212  -0.00394   0.02911
   D239      -2.18442  -0.00012  -0.00196  -0.00259  -0.00454  -2.18897
   D240      -0.54478   0.00000  -0.00127  -0.00068  -0.00194  -0.54672
   D241      -2.76224   0.00000  -0.00140  -0.00115  -0.00255  -2.76480
   D242      -0.74350   0.00001  -0.00237  -0.00193  -0.00428  -0.74778
   D243      -2.96097   0.00001  -0.00251  -0.00240  -0.00489  -2.96586
   D244      -2.90313  -0.00001  -0.00091   0.00009  -0.00082  -2.90395
   D245       0.01616  -0.00001   0.00028   0.00013   0.00041   0.01657
   D246      -3.12077   0.00002  -0.00093   0.00022  -0.00071  -3.12148
   D247      -0.20147   0.00001   0.00026   0.00025   0.00052  -0.20095
   D248       2.75725   0.00003  -0.00088   0.00037  -0.00051   2.75674
   D249      -0.60664   0.00002   0.00031   0.00040   0.00072  -0.60592
   D250       2.52049   0.00004  -0.00098   0.00031  -0.00067   2.51981
   D251      -0.84340   0.00003   0.00021   0.00034   0.00056  -0.84285
   D252      -2.91994   0.00003  -0.00084   0.00027  -0.00057  -2.92051
   D253      -0.00065   0.00002   0.00036   0.00031   0.00066   0.00001
   D254      -3.09347   0.00004  -0.00068   0.00039  -0.00030  -3.09377
   D255      -0.17417   0.00004   0.00051   0.00042   0.00093  -0.17324
   D256      -0.66728   0.00003  -0.00114   0.00007  -0.00107  -0.66835
   D257       2.25202   0.00003   0.00005   0.00011   0.00016   2.25217
   D258      -0.93043   0.00003  -0.00093   0.00027  -0.00066  -0.93110
   D259       1.98886   0.00002   0.00026   0.00030   0.00056   1.98943
   D260      -0.78510   0.00003  -0.00062   0.00054  -0.00008  -0.78518
   D261       2.13420   0.00003   0.00057   0.00057   0.00115   2.13535
   D262      -1.00082   0.00002  -0.00071   0.00043  -0.00028  -1.00111
   D263       1.91847   0.00001   0.00048   0.00046   0.00094   1.91942
   D264      -1.33740   0.00001  -0.00092   0.00030  -0.00062  -1.33802
   D265       1.58190   0.00001   0.00027   0.00034   0.00061   1.58251
   D266      -1.58491   0.00002  -0.00086   0.00039  -0.00047  -1.58538
   D267       1.33439   0.00001   0.00033   0.00042   0.00075   1.33514
   D268       1.97232   0.00001  -0.00079   0.00017  -0.00062   1.97170
   D269      -1.39157   0.00000   0.00040   0.00021   0.00061  -1.39096
   D270       0.85460   0.00000  -0.00092   0.00017  -0.00075   0.85385
   D271      -2.50929   0.00000   0.00027   0.00020   0.00047  -2.50881
   D272       1.24993  -0.00011  -0.00474  -0.00556  -0.01033   1.23960
   D273      -2.11396  -0.00011  -0.00354  -0.00553  -0.00910  -2.12306
   D274       1.24105  -0.00004  -0.00253  -0.00209  -0.00459   1.23645
   D275      -2.12284  -0.00005  -0.00133  -0.00205  -0.00337  -2.12621
   D276       1.61859   0.00000  -0.00100  -0.00006  -0.00107   1.61752
   D277      -1.74530  -0.00001   0.00020  -0.00003   0.00016  -1.74514
   D278       1.63232  -0.00008  -0.00220  -0.00164  -0.00384   1.62848
   D279      -1.73157  -0.00008  -0.00101  -0.00161  -0.00261  -1.73418
   D280       0.85224  -0.00001  -0.00173  -0.00030  -0.00200   0.85023
   D281      -2.51165  -0.00002  -0.00054  -0.00026  -0.00077  -2.51243
   D282       0.81728   0.00000  -0.00359  -0.00265  -0.00625   0.81103
   D283      -2.54661   0.00000  -0.00240  -0.00262  -0.00503  -2.55164
   D284       1.62682   0.00001  -0.00004   0.00068   0.00064   1.62746
   D285      -2.58932   0.00001   0.00061   0.00122   0.00183  -2.58749
   D286       1.64011   0.00001   0.00036   0.00087   0.00123   1.64133
   D287      -2.57603   0.00001   0.00101   0.00141   0.00242  -2.57362
   D288       1.29322   0.00003   0.00048   0.00106   0.00154   1.29476
   D289      -2.92292   0.00003   0.00113   0.00161   0.00273  -2.92019
   D290       1.21483   0.00004   0.00024   0.00077   0.00101   1.21583
   D291      -3.00131   0.00003   0.00089   0.00131   0.00220  -2.99912
   D292       2.01883   0.00001   0.00039   0.00088   0.00126   2.02009
   D293      -2.19731   0.00001   0.00103   0.00142   0.00245  -2.19486
   D294       2.00196   0.00002   0.00050   0.00097   0.00147   2.00343
   D295      -2.21418   0.00002   0.00115   0.00151   0.00266  -2.21152
   D296      -2.31722   0.00002   0.00007   0.00059   0.00066  -2.31656
   D297      -0.25017   0.00002   0.00071   0.00113   0.00185  -0.24833
   D298      -2.31165   0.00002   0.00033   0.00087   0.00120  -2.31045
   D299      -0.24461   0.00002   0.00098   0.00141   0.00239  -0.24222
   D300      -1.93125   0.00003   0.00053   0.00102   0.00155  -1.92969
   D301       0.13580   0.00003   0.00118   0.00157   0.00274   0.13854
   D302      -1.88542   0.00001   0.00049   0.00091   0.00139  -1.88403
   D303       0.18162   0.00001   0.00113   0.00145   0.00258   0.18420
   D304      -2.66555   0.00002   0.00048   0.00106   0.00154  -2.66402
   D305      -0.59851   0.00002   0.00113   0.00160   0.00273  -0.59578
   D306      -2.81251   0.00002   0.00058   0.00122   0.00180  -2.81071
   D307      -0.74546   0.00002   0.00123   0.00176   0.00299  -0.74247
   D308       1.52524   0.00004   0.00056   0.00112   0.00168   1.52691
   D309      -2.69090   0.00003   0.00120   0.00167   0.00287  -2.68803
   D310       2.62398  -0.00002   0.00032   0.00077   0.00110   2.62508
   D311      -1.59216  -0.00002   0.00097   0.00132   0.00229  -1.58987
   D312       3.00932  -0.00002   0.00001   0.00051   0.00053   3.00984
   D313      -1.20682  -0.00002   0.00066   0.00105   0.00172  -1.20511
   D314      -0.31298  -0.00007  -0.00168  -0.00222  -0.00390  -0.31688
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   D318       0.18150   0.00000   0.00005   0.00032   0.00036   0.18186
   D319       2.24855   0.00000   0.00070   0.00086   0.00155   2.25009
   D320       0.33994  -0.00006  -0.00074  -0.00068  -0.00143   0.33851
   D321       2.40699  -0.00006  -0.00009  -0.00014  -0.00024   2.40675
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   D326      -0.07526   0.00002   0.00342   0.00421   0.00764  -0.06763
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   D328       0.26394  -0.00001   0.00345   0.00385   0.00730   0.27124
   D329       2.44001  -0.00001   0.00410   0.00373   0.00780   2.44781
   D330       0.62024  -0.00001   0.00358   0.00393   0.00753   0.62776
   D331       2.79630  -0.00001   0.00423   0.00381   0.00802   2.80433
   D332       0.90521  -0.00002   0.00354   0.00377   0.00732   0.91253
   D333       3.08128  -0.00002   0.00418   0.00365   0.00782   3.08909
   D334       0.27562  -0.00003   0.00294   0.00323   0.00617   0.28180
   D335       2.45169  -0.00003   0.00359   0.00311   0.00667   2.45836
   D336       0.62931  -0.00002   0.00325   0.00378   0.00703   0.63634
   D337       2.80538  -0.00002   0.00389   0.00366   0.00753   2.81290
   D338      -2.46686  -0.00002   0.00365   0.00399   0.00764  -2.45922
   D339      -0.29079  -0.00001   0.00429   0.00387   0.00814  -0.28265
   D340      -2.06023  -0.00003   0.00326   0.00346   0.00674  -2.05349
   D341       0.11583  -0.00003   0.00391   0.00334   0.00724   0.12307
   D342      -2.01480  -0.00002   0.00330   0.00372   0.00704  -2.00776
   D343       0.16126  -0.00002   0.00395   0.00360   0.00754   0.16881
   D344      -1.73111  -0.00001   0.00363   0.00414   0.00779  -1.72332
   D345       0.44496   0.00000   0.00427   0.00402   0.00829   0.45325
   D346      -1.65706  -0.00003   0.00276   0.00264   0.00544  -1.65162
   D347       0.51900  -0.00003   0.00341   0.00252   0.00594   0.52494
   D348      -1.34073  -0.00005   0.00264   0.00249   0.00516  -1.33558
   D349       0.83533  -0.00004   0.00328   0.00237   0.00565   0.84099
   D350       1.66067   0.00002   0.00425   0.00521   0.00950   1.67017
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   D352       2.04439   0.00004   0.00486   0.00602   0.01091   2.05530
   D353      -2.06273   0.00004   0.00551   0.00590   0.01141  -2.05132
   D354       2.14746   0.00009   0.00685   0.00898   0.01587   2.16332
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   D356       2.77337   0.00009   0.00713   0.00955   0.01663   2.79000
   D357      -1.33375   0.00010   0.00778   0.00943   0.01713  -1.31662
   D358       2.42056   0.00002   0.00425   0.00510   0.00936   2.42992
   D359      -1.68656   0.00002   0.00490   0.00498   0.00985  -1.67670
   D360       1.61019  -0.00004   0.00165   0.00137   0.00305   1.61324
   D361      -2.49693  -0.00004   0.00229   0.00125   0.00355  -2.49338
   D362       1.68983   0.00007   0.00403   0.00462   0.00866   1.69849
   D363      -2.41729   0.00007   0.00468   0.00450   0.00916  -2.40813
   D364       2.72654  -0.00003   0.00236   0.00146   0.00379   2.73033
   D365      -1.38058  -0.00003   0.00301   0.00134   0.00429  -1.37629
   D366       2.66529  -0.00003   0.00550   0.00574   0.01128   2.67657
   D367      -1.44183  -0.00003   0.00615   0.00562   0.01178  -1.43005
   D368       0.03818   0.00005  -0.00089  -0.00004  -0.00092   0.03726
   D369      -2.88559   0.00005   0.00513   0.00659   0.01174  -2.87385
   D370       0.42904   0.00003  -0.00041   0.00000  -0.00041   0.42863
   D371      -2.49473   0.00002   0.00561   0.00663   0.01225  -2.48248
   D372       0.59653   0.00002  -0.00013   0.00025   0.00012   0.59665
   D373      -2.32724   0.00002   0.00589   0.00687   0.01277  -2.31446
   D374       0.88209   0.00000  -0.00028  -0.00012  -0.00039   0.88170
   D375      -2.04168   0.00000   0.00575   0.00651   0.01226  -2.02942
   D376       0.71694   0.00003  -0.00067  -0.00025  -0.00092   0.71602
   D377      -2.20682   0.00002   0.00535   0.00638   0.01173  -2.19509
   D378       1.04039   0.00002  -0.00062  -0.00020  -0.00081   1.03958
   D379      -1.88338   0.00002   0.00541   0.00643   0.01184  -1.87153
   D380      -2.86417   0.00001  -0.00017   0.00035   0.00019  -2.86398
   D381       0.49525   0.00000   0.00585   0.00698   0.01285   0.50809
   D382      -2.29767  -0.00002   0.00010   0.00042   0.00052  -2.29716
   D383       1.06175  -0.00002   0.00612   0.00705   0.01317   1.07492
   D384      -1.98340  -0.00001  -0.00054  -0.00027  -0.00080  -1.98421
   D385       1.37602  -0.00001   0.00549   0.00636   0.01185   1.38787
   D386      -1.62646  -0.00001  -0.00055  -0.00035  -0.00090  -1.62735
   D387       1.73296  -0.00001   0.00547   0.00628   0.01176   1.74472
   D388      -1.74968  -0.00005   0.00067   0.00048   0.00112  -1.74856
   D389       1.60974  -0.00005   0.00670   0.00711   0.01378   1.62351
   D390      -0.97447  -0.00005  -0.00108  -0.00146  -0.00254  -0.97701
   D391       2.38494  -0.00005   0.00495   0.00517   0.01012   2.39506
   D392       1.78373   0.00001  -0.00051  -0.00008  -0.00059   1.78314
   D393      -1.14003   0.00000   0.00552   0.00654   0.01206  -1.12797
   D394       2.07884   0.00001  -0.00057  -0.00019  -0.00076   2.07808
   D395      -0.84493   0.00000   0.00546   0.00643   0.01190  -0.83303
   D396       2.01334   0.00001  -0.00046  -0.00003  -0.00048   2.01286
   D397      -0.91043   0.00000   0.00557   0.00659   0.01217  -0.89826
   D398       2.19592   0.00000  -0.00072  -0.00015  -0.00085   2.19507
   D399      -0.72785   0.00000   0.00531   0.00648   0.01180  -0.71605
   D400       2.48639   0.00001  -0.00054  -0.00013  -0.00067   2.48573
   D401      -0.43737   0.00001   0.00549   0.00649   0.01199  -0.42539
   D402      -1.40474  -0.00005  -0.00290  -0.00360  -0.00648  -1.41121
   D403       1.95468  -0.00005   0.00312   0.00302   0.00618   1.96086
   D404      -2.53518   0.00011  -0.00180  -0.00152  -0.00334  -2.53851
   D405       0.82424   0.00010   0.00422   0.00511   0.00931   0.83356
   D406      -2.92894   0.00007   0.00081   0.00165   0.00251  -2.92642
   D407       0.43048   0.00007   0.00684   0.00828   0.01517   0.44565
   D408       1.80120  -0.00001  -0.00251  -0.00106  -0.00354   1.79766
   D409       2.28691  -0.00004  -0.00175  -0.00083  -0.00255   2.28436
   D410       2.50158  -0.00001  -0.00176  -0.00094  -0.00268   2.49890
   D411       2.74948  -0.00001  -0.00200  -0.00135  -0.00333   2.74614
   D412       2.70350  -0.00006  -0.00117  -0.00028  -0.00141   2.70209
   D413      -3.10940  -0.00002  -0.00100  -0.00030  -0.00128  -3.11068
   D414      -0.86246  -0.00001  -0.00215  -0.00133  -0.00347  -0.86593
   D415      -0.48398   0.00000  -0.00217  -0.00137  -0.00353  -0.48752
   D416      -0.16865  -0.00001  -0.00213  -0.00137  -0.00349  -0.17214
   D417       0.14039  -0.00002  -0.00212  -0.00141  -0.00352   0.13687
   D418      -0.35404   0.00003  -0.00225  -0.00142  -0.00366  -0.35771
   D419      -0.03353   0.00002  -0.00255  -0.00166  -0.00421  -0.03774
   D420      -2.66272  -0.00001  -0.00194  -0.00103  -0.00297  -2.66569
   D421      -2.28266  -0.00002  -0.00200  -0.00121  -0.00320  -2.28586
   D422      -2.05208  -0.00002  -0.00174  -0.00103  -0.00278  -2.05486
   D423      -1.73499  -0.00002  -0.00197  -0.00122  -0.00319  -1.73818
   D424      -2.05370  -0.00003  -0.00229  -0.00135  -0.00363  -2.05733
   D425       1.38642  -0.00007  -0.00404  -0.00476  -0.00882   1.37759
   D426       2.51107   0.00007  -0.00335  -0.00263  -0.00600   2.50508
   D427       2.91858   0.00013  -0.00172  -0.00023  -0.00196   2.91663
   D428      -3.09552   0.00001   0.00107   0.00099   0.00207  -3.09345
   D429       0.01214   0.00005  -0.00253   0.00055  -0.00197   0.01018
   D430       0.02305   0.00010   0.00020   0.00089   0.00109   0.02414
   D431       3.13071   0.00013  -0.00339   0.00045  -0.00295   3.12777
   D432       0.00595   0.00003  -0.00477  -0.00188  -0.00665  -0.00070
   D433       2.10053   0.00002  -0.00447  -0.00182  -0.00629   2.09424
   D434      -2.09667   0.00002  -0.00431  -0.00178  -0.00609  -2.10276
   D435      -3.10327  -0.00001  -0.00134  -0.00146  -0.00281  -3.10608
   D436      -1.00869  -0.00001  -0.00105  -0.00140  -0.00245  -1.01114
   D437       1.07730  -0.00001  -0.00088  -0.00137  -0.00225   1.07505
   D438      -2.38062  -0.00003   0.00365   0.00102   0.00467  -2.37595
   D439      -0.29107   0.00001   0.00347   0.00111   0.00458  -0.28648
   D440       1.81637  -0.00002   0.00357   0.00111   0.00468   1.82105
   D441       0.72862   0.00000   0.00022   0.00060   0.00083   0.72945
   D442       2.81818   0.00005   0.00005   0.00069   0.00074   2.81891
   D443      -1.35757   0.00002   0.00015   0.00069   0.00084  -1.35674
   D444      -0.01070  -0.00002   0.00052  -0.00006   0.00046  -0.01024
   D445       3.11868  -0.00002   0.00022   0.00016   0.00038   3.11907
   D446      -3.13123  -0.00001   0.00052  -0.00006   0.00046  -3.13076
   D447      -0.00184  -0.00002   0.00022   0.00016   0.00039  -0.00146
   D448       2.43192   0.00003   0.00092   0.00135   0.00227   2.43418
   D449      -1.76567   0.00001   0.00101   0.00136   0.00237  -1.76330
   D450       0.34100   0.00005   0.00107   0.00143   0.00250   0.34350
   D451      -0.69805   0.00003   0.00120   0.00114   0.00234  -0.69571
   D452       1.38755   0.00002   0.00130   0.00115   0.00245   1.38999
   D453      -2.78897   0.00005   0.00135   0.00122   0.00257  -2.78640
   D454       2.07867   0.00000   0.00014  -0.00011   0.00003   2.07870
   D455      -2.11896   0.00001   0.00009  -0.00012  -0.00003  -2.11899
   D456      -0.02555   0.00000   0.00012  -0.00004   0.00008  -0.02547
   D457      -1.07455  -0.00001  -0.00014   0.00009  -0.00005  -1.07460
   D458       1.01100   0.00001  -0.00019   0.00009  -0.00010   1.01090
   D459       3.10441  -0.00001  -0.00016   0.00017   0.00000   3.10441
   D460      -3.06852   0.00005  -0.00043   0.00028  -0.00014  -3.06866
   D461      -0.02815   0.00003  -0.00038  -0.00022  -0.00060  -0.02875
   D462       0.08734  -0.00001  -0.00046   0.00003  -0.00044   0.08691
   D463       3.12771  -0.00003  -0.00042  -0.00047  -0.00089   3.12682
   D464       1.91174   0.00002   0.00029  -0.00032  -0.00003   1.91171
   D465      -2.28719  -0.00004   0.00039  -0.00047  -0.00008  -2.28727
   D466      -0.19465   0.00000   0.00036  -0.00046  -0.00010  -0.19476
   D467      -1.13266   0.00003   0.00025   0.00016   0.00041  -1.13225
   D468       0.95160  -0.00002   0.00035   0.00001   0.00036   0.95196
   D469       3.04413   0.00001   0.00032   0.00002   0.00034   3.04447
   D470      -1.62754   0.00003   0.00117   0.00243   0.00360  -1.62393
   D471       0.47684   0.00006   0.00117   0.00261   0.00378   0.48062
   D472       2.56804   0.00004   0.00114   0.00239   0.00353   2.57157
   D473       1.41725   0.00001   0.00122   0.00194   0.00316   1.42041
   D474      -2.76155   0.00004   0.00122   0.00212   0.00334  -2.75821
   D475      -0.67036   0.00002   0.00118   0.00191   0.00309  -0.66727
   D476      -0.00483  -0.00002   0.00343   0.00217   0.00558   0.00075
   D477      -3.10460  -0.00012   0.00917   0.00123   0.01040  -3.09419
   D478       3.11650  -0.00004   0.00446   0.00135   0.00585   3.12235
   D479       0.01673  -0.00014   0.01021   0.00041   0.01067   0.02740
   D480      -0.09713  -0.00013  -0.00210  -0.00487  -0.00697  -0.10410
   D481       2.00390  -0.00001  -0.00256  -0.00442  -0.00701   1.99689
   D482      -2.20144  -0.00011  -0.00226  -0.00536  -0.00762  -2.20905
   D483       3.00478  -0.00005  -0.00756  -0.00400  -0.01158   2.99319
   D484      -1.17738   0.00007  -0.00802  -0.00355  -0.01163  -1.18901
   D485       0.90047  -0.00003  -0.00772  -0.00448  -0.01223   0.88824
   D486       0.02347   0.00029  -0.00928  -0.00682  -0.01610   0.00737
   D487       2.12401   0.00008  -0.01017  -0.00696  -0.01716   2.10685
   D488      -2.07716   0.00002  -0.00949  -0.00784  -0.01737  -2.09454
   D489      -3.07858   0.00020  -0.00384  -0.00770  -0.01151  -3.09009
   D490      -0.97804   0.00000  -0.00473  -0.00783  -0.01257  -0.99061
   D491       1.10397  -0.00007  -0.00404  -0.00871  -0.01278   1.09119
         Item               Value     Threshold  Converged?
 Maximum Force            0.000334     0.000450     YES
 RMS     Force            0.000047     0.000300     YES
 Maximum Displacement     0.044959     0.001800     NO 
 RMS     Displacement     0.004203     0.001200     NO 
 Predicted change in Energy=-1.613920D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:44:04 2016, MaxMem=  2952790016 cpu:        10.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.882609   -0.639032    1.710048
      2          6           0       -2.178259    0.975657   -1.414858
      3          8           0       -2.610507   -0.004607   -2.044493
      4          7           0       -0.918519    1.102169   -0.912829
      5          1           0       -2.815838    1.851441   -1.181447
      6          6           0       -0.517401    2.273301   -0.130922
      7          1           0       -1.366711    2.964496   -0.043125
      8          1           0       -0.198416    1.957039    0.875664
      9          1           0        0.325123    2.787032   -0.622112
     10          6           0        0.086658    0.051468   -1.089299
     11          1           0        0.619600   -0.105532   -0.138916
     12          1           0       -0.411652   -0.880558   -1.386738
     13          1           0        0.819754    0.341603   -1.860164
     14          6           0       -1.966670   -4.073312    2.627163
     15          8           0       -2.140103   -3.929923    3.849492
     16          7           0       -2.877564   -3.779004    1.659972
     17          1           0       -1.011488   -4.447704    2.209011
     18          6           0       -4.205675   -3.255595    1.989140
     19          1           0       -4.469295   -2.468958    1.264358
     20          1           0       -4.963389   -4.055052    1.935773
     21          1           0       -4.190463   -2.832786    3.002379
     22          6           0       -2.574792   -3.954876    0.239684
     23          1           0       -3.269999   -4.682187   -0.210739
     24          1           0       -2.684622   -2.992506   -0.287222
     25          1           0       -1.542904   -4.314469    0.122999
     26          6           0        1.518342    0.357258    2.627362
     27          8           0        1.361151    1.370559    3.329207
     28          7           0        1.135538   -0.904268    2.965424
     29          1           0        1.988656    0.402791    1.625277
     30          6           0        1.443269   -2.052490    2.112154
     31          1           0        2.206339   -2.690794    2.588583
     32          1           0        0.533715   -2.653935    1.956549
     33          1           0        1.814074   -1.698837    1.140357
     34          6           0        0.508812   -1.185664    4.259498
     35          1           0        1.266118   -1.485041    5.004158
     36          1           0       -0.013436   -0.286882    4.611599
     37          1           0       -0.210965   -2.007978    4.136134
     38          6           0       -4.463099    1.475625    2.810966
     39          8           0       -4.627716    2.186135    1.805778
     40          7           0       -3.403596    1.536526    3.663732
     41          1           0       -5.187746    0.686253    3.097133
     42          6           0       -2.307965    2.486673    3.471897
     43          1           0       -2.444585    3.014510    2.520572
     44          1           0       -2.295088    3.214246    4.300573
     45          1           0       -1.346711    1.950045    3.466510
     46          6           0       -3.271775    0.613288    4.791914
     47          1           0       -4.122651   -0.082360    4.804114
     48          1           0       -2.334535    0.039305    4.704681
     49          1           0       -3.245639    1.177062    5.738908
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.529825   0.000000
     3  O    3.876714   1.242657   0.000000
     4  N    3.292527   1.361977   2.316989   0.000000
     5  H    3.928628   1.108146   2.057164   2.057519   0.000000
     6  C    3.706029   2.467958   3.637542   1.464180   2.562105
     7  H    4.040443   2.548674   3.790524   2.103692   2.152821
     8  H    3.205041   3.182668   4.265390   2.109042   3.330729
     9  H    4.695846   3.190054   4.293523   2.114220   3.324729
    10  C    3.491582   2.467784   2.861859   1.464750   3.416559
    11  H    3.156634   3.259602   3.751666   2.103162   4.088869
    12  H    3.436878   2.562659   2.456602   2.100645   3.645007
    13  H    4.583757   3.096515   3.452612   2.120730   3.994722
    14  C    3.555621   6.471072   6.228422   6.357339   7.094314
    15  O    3.933635   7.195801   7.097073   7.035192   7.693578
    16  N    3.294217   5.705296   5.295323   5.855170   6.307090
    17  H    3.938756   6.626207   6.355334   6.368329   7.377677
    18  C    3.510118   5.796646   5.420671   6.181984   6.169771
    19  H    3.199721   4.928734   4.525109   5.486447   5.232756
    20  H    4.605578   6.655201   6.146924   7.146498   7.015390
    21  H    3.436403   6.169699   5.997147   6.443473   6.429306
    22  C    3.692683   5.215831   4.563262   5.444743   5.982561
    23  H    4.686297   5.886679   5.067281   6.283404   6.620939
    24  H    3.189225   4.156234   3.467137   4.502985   4.927543
    25  H    4.017830   5.545638   4.940921   5.550023   6.429649
    26  C    3.660673   5.512424   6.245364   4.361896   5.960263
    27  O    4.145131   5.932076   6.822155   4.823256   6.166400
    28  N    3.279562   5.805363   6.319930   4.825535   6.356402
    29  H    4.009897   5.189775   5.897922   3.922088   5.749735
    30  C    3.636071   5.892788   6.156674   4.967941   6.650450
    31  H    4.658438   6.978187   7.202985   6.034168   7.750309
    32  H    3.155822   5.647577   5.737021   4.944758   6.431558
    33  H    3.887570   5.442496   5.708818   4.419080   6.279438
    34  C    3.537993   6.640027   7.131994   5.833045   7.062661
    35  H    4.634800   7.689118   8.179449   6.817407   8.127496
    36  H    3.469411   6.526764   7.150386   5.767837   6.781244
    37  H    3.248737   6.601956   6.926142   5.972074   7.068037
    38  C    3.513222   4.829913   5.403579   5.154626   4.335213
    39  O    3.940349   4.223458   4.867553   4.724823   3.509762
    40  N    3.295958   5.254342   5.965561   5.225820   4.890848
    41  H    3.821560   5.431282   5.792734   5.871889   5.028902
    42  C    3.613181   5.116675   6.060410   4.803461   4.723882
    43  H    3.784328   4.440209   5.475620   4.215942   3.898141
    44  H    4.661407   6.139307   7.121824   5.790974   5.672827
    45  H    3.174219   5.046648   5.982390   4.481166   4.875608
    46  C    3.604995   6.312774   6.896052   6.190389   6.117348
    47  H    3.860171   6.601187   7.013989   6.659806   6.424507
    48  H    3.103580   6.192733   6.754957   5.889924   6.177540
    49  H    4.624690   7.235760   7.898168   7.047460   6.966407
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098538   0.000000
     8  H    1.102265   1.795565   0.000000
     9  H    1.102286   1.796947   1.790618   0.000000
    10  C    2.493975   3.419428   2.752008   2.785398   0.000000
    11  H    2.636604   3.657824   2.439820   2.947392   1.100865
    12  H    3.396334   4.183524   3.635367   3.818207   1.097932
    13  H    2.917142   3.868052   3.336324   2.785239   1.102652
    14  C    7.070141   7.551233   6.523772   7.929339   5.919632
    15  O    7.546976   7.955100   6.875328   8.437421   6.723213
    16  N    6.738550   7.117444   6.379276   7.653622   5.569346
    17  H    7.133815   7.754934   6.592393   7.883096   5.685712
    18  C    6.976153   7.132976   6.668546   7.991252   6.231979
    19  H    6.328767   6.392023   6.162868   7.360071   5.713926
    20  H    8.005379   8.131801   7.744291   9.018051   7.177572
    21  H    7.027168   7.131420   6.588003   8.069065   6.584414
    22  C    6.569657   7.029733   6.403309   7.389555   4.990020
    23  H    7.480774   7.881774   7.395554   8.299600   5.869114
    24  H    5.696490   6.105927   5.659640   6.524858   4.193936
    25  H    6.671944   7.282991   6.458015   7.380787   4.815240
    26  C    3.927290   4.717279   2.928311   4.229263   3.994596
    27  O    4.039356   4.621092   2.965819   4.323503   4.784091
    28  N    4.734608   5.502722   3.785975   5.210843   4.295854
    29  H    3.586553   4.539205   2.785837   3.674602   3.333158
    30  C    5.252436   6.140957   4.505592   5.669871   4.064029
    31  H    6.281457   7.188523   5.506296   6.622244   5.053698
    32  H    5.453443   6.259160   4.792224   6.024710   4.098324
    33  H    4.778055   5.767555   4.181580   5.044432   3.319473
    34  C    5.682723   6.265299   4.671947   6.296520   5.506209
    35  H    6.608716   7.225319   5.571108   7.126780   6.393919
    36  H    5.412950   5.836889   4.361951   6.079087   5.711807
    37  H    6.052356   6.597533   5.133438   6.776461   5.624504
    38  C    4.985933   4.466564   4.707938   6.035966   6.159593
    39  O    4.544568   3.828635   4.531699   5.548544   5.929890
    40  N    4.824144   4.464168   4.268880   5.816835   6.081001
    41  H    5.895014   5.445358   5.607427   6.974079   6.763764
    42  C    4.028890   3.670103   3.386906   4.876913   5.698153
    43  H    3.360632   2.781521   2.978127   4.195174   5.312059
    44  H    4.866590   4.448817   4.207922   5.592928   6.687795
    45  H    3.705910   3.653361   2.833922   4.495821   5.139507
    46  C    5.880182   5.703951   5.156377   6.853796   6.795836
    47  H    6.549928   6.354075   5.915361   7.580240   7.243515
    48  H    5.628124   5.659955   4.785612   6.557325   6.279532
    49  H    6.565053   6.336970   5.791811   7.470269   7.680857
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794772   0.000000
    13  H    1.789605   1.798381   0.000000
    14  C    5.484821   5.359398   6.884165   0.000000
    15  O    6.176514   6.301132   7.720548   1.242871   0.000000
    16  N    5.381501   4.874848   6.560558   1.360810   2.315302
    17  H    5.198814   5.100367   6.545922   1.107878   2.057437
    18  C    6.142866   5.606421   7.280928   2.467566   2.860458
    19  H    5.783754   5.100567   6.755437   3.270216   3.773919
    20  H    7.146524   6.467982   8.196612   3.075496   3.413051
    21  H    6.359431   6.111870   7.669638   2.573897   2.474932
    22  C    5.016465   4.095833   5.864472   2.466555   3.635971
    23  H    6.006655   4.899541   6.684695   3.181679   4.281126
    24  H    4.390273   3.291755   5.086362   3.190177   4.276406
    25  H    4.739216   3.918006   5.585167   2.551190   3.793583
    26  C    2.945201   4.622777   4.541604   5.636954   5.766953
    27  O    3.841435   5.518197   5.318029   6.418955   6.373742
    28  N    3.246706   4.619055   4.993818   4.447579   4.545987
    29  H    2.290215   4.059642   3.676734   6.056721   6.384841
    30  C    3.088105   4.129939   4.679718   3.997079   4.402687
    31  H    4.079286   5.092544   5.559622   4.396231   4.692217
    32  H    3.300411   3.900789   4.860285   2.952333   3.515775
    33  H    2.366839   3.465493   3.762339   4.705608   5.287029
    34  C    4.530453   5.728902   6.315021   4.138966   3.836120
    35  H    5.363977   6.635048   7.117218   4.774953   4.348914
    36  H    4.795938   6.040784   6.555373   4.700017   4.286639
    37  H    4.752388   5.640342   6.522155   3.102434   2.738176
    38  C    6.085696   6.291784   7.142409   6.087417   5.974513
    39  O    6.047139   6.113261   6.820290   6.851022   6.911668
    40  N    5.774305   6.348328   7.055350   5.882985   5.613643
    41  H    6.695088   6.735805   7.796386   5.766252   5.582406
    42  C    5.322418   6.208106   6.543304   6.622949   6.429889
    43  H    5.118278   5.879748   6.082038   7.104715   7.076998
    44  H    6.263018   7.256739   7.477232   7.484428   7.160074
    45  H    4.592480   5.695670   5.971106   6.113074   5.945601
    46  C    6.322388   6.970482   7.814383   5.324816   4.775941
    47  H    6.850039   7.261906   8.307811   5.031408   4.432329
    48  H    5.675238   6.453604   7.289590   4.622232   4.064964
    49  H    7.150799   7.939780   8.658597   6.235795   5.556384
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056902   0.000000
    18  C    1.464987   3.416475   0.000000
    19  H    2.099127   4.094415   1.101635   0.000000
    20  H    2.122011   3.980748   1.102774   1.791820   0.000000
    21  H    2.102639   3.652845   1.098022   1.797452   1.796941
    22  C    1.462812   2.562235   2.491861   2.616687   2.931237
    23  H    2.114073   3.318290   2.783904   2.917637   2.805063
    24  H    2.108878   3.338885   2.750389   2.422099   3.356112
    25  H    2.104834   2.156757   3.419656   3.643127   3.879841
    26  C    6.112978   5.446349   6.798853   6.759961   7.871443
    27  O    6.875394   6.382510   7.361157   7.280082   8.448593
    28  N    5.106203   4.211630   5.916961   6.062675   6.941508
    29  H    6.416285   5.733142   7.203188   7.076887   8.264363
    30  C    4.674924   3.431073   5.776951   5.987538   6.714658
    31  H    5.281344   3.685814   6.464694   6.809322   7.327507
    32  H    3.604242   2.380965   4.777538   5.054052   5.672892
    33  H    5.158349   4.084372   6.275453   6.331602   7.219310
    34  C    4.995047   4.142066   5.627213   5.949727   6.601369
    35  H    5.797927   4.666660   6.493514   6.917308   7.404506
    36  H    5.395391   4.907237   5.767618   5.984994   6.772089
    37  H    4.047056   3.210437   4.703599   5.156837   5.622956
    38  C    5.608016   6.881992   4.808961   4.236954   5.621801
    39  O    6.218293   7.566209   5.461150   4.689150   6.251559
    40  N    5.704965   6.606770   5.139262   4.789219   6.056777
    41  H    5.228852   6.677381   4.210733   3.718950   4.886621
    42  C    6.547230   7.166681   6.226838   5.839765   7.225311
    43  H    6.861482   7.604964   6.534376   5.978792   7.527621
    44  H    7.497840   8.045355   7.131053   6.800337   8.096593
    45  H    6.199120   6.528773   6.120048   5.841882   7.175285
    46  C    5.408946   6.115058   4.867851   4.835075   5.728220
    47  H    5.010094   5.955680   4.242687   4.283209   4.971569
    48  H    4.913718   5.302082   4.661727   4.762815   5.598347
    49  H    6.429291   7.006397   5.884801   5.900203   6.692497
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391454   0.000000
    23  H    3.819904   1.102350   0.000000
    24  H    3.621401   1.102655   1.789843   0.000000
    25  H    4.182796   1.098961   1.797068   1.794264   0.000000
    26  C    6.550380   6.406969   7.508597   6.113970   6.121118
    27  O    6.971036   7.307328   8.403244   6.962986   7.143728
    28  N    5.664525   5.522899   6.615848   5.434526   5.184873
    29  H    7.109633   6.460200   7.541976   6.084835   6.081225
    30  C    5.756761   4.823901   5.875886   4.866222   4.241523
    31  H    6.411745   5.474892   6.464684   5.681794   4.772028
    32  H    4.841859   3.781915   4.824850   3.937871   3.229802
    33  H    6.388070   5.016280   6.047614   4.893856   4.375597
    34  C    5.135810   5.773738   6.818219   5.842547   5.577596
    35  H    5.966391   6.599461   7.615331   6.773441   6.302538
    36  H    5.149638   6.255267   7.292383   6.201136   6.221596
    37  H    4.219255   4.955846   5.950159   5.162785   4.816556
    38  C    4.321271   6.298217   6.962244   5.720660   7.019822
    39  O    5.178090   6.661768   7.285848   5.913932   7.389564
    40  N    4.488590   6.524302   7.328149   6.053024   7.087532
    41  H    3.658851   6.044222   6.590897   5.590417   6.865680
    42  C    5.662234   7.211931   8.116642   6.655393   7.619447
    43  H    6.121365   7.334285   8.208564   6.635177   7.763718
    44  H    6.468721   8.244111   9.146368   7.728090   8.642885
    45  H    5.583710   6.840225   7.823535   6.348962   7.103639
    46  C    3.990220   6.486656   7.284820   6.256527   7.005038
    47  H    3.288721   6.182739   6.858146   6.038094   6.817527
    48  H    3.819845   5.995616   6.879603   5.850944   6.369760
    49  H    4.945722   7.551707   8.350431   7.349441   8.037080
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242608   0.000000
    28  N    1.360982   2.314751   0.000000
    29  H    1.107901   2.057599   2.057233   0.000000
    30  C    2.465352   3.633900   1.463278   2.561816   0.000000
    31  H    3.124974   4.213959   2.116672   3.247401   1.103038
    32  H    3.238327   4.331904   2.107453   3.401496   1.101471
    33  H    2.554637   3.797025   2.103003   2.163901   1.098616
    34  C    2.462443   2.850648   1.465126   3.413539   2.497135
    35  H    3.017754   3.311939   2.123861   3.937361   2.952469
    36  H    2.588137   2.506218   2.100285   3.660894   3.389187
    37  H    3.295639   3.812767   2.098049   4.117590   2.614377
    38  C    6.087865   5.848205   6.085433   6.646953   6.915282
    39  O    6.464814   6.233180   6.641571   6.854872   7.410578
    40  N    5.166257   4.779358   5.200851   5.875120   6.227402
    41  H    6.730568   6.588641   6.521582   7.331266   7.241634
    42  C    4.459627   3.837770   4.859291   5.119914   6.043563
    43  H    4.772545   4.223753   5.326537   5.222667   6.399743
    44  H    5.050175   4.208422   5.523945   5.780307   6.819311
    45  H    3.383736   2.772575   3.815724   4.112032   5.063453
    46  C    5.262705   4.917009   5.006341   6.143618   6.043106
    47  H    6.062369   5.861605   5.630707   6.905683   6.489031
    48  H    4.388736   4.162002   3.994590   5.320228   5.036726
    49  H    5.748853   5.202558   5.587383   6.702186   6.750497
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788435   0.000000
    33  H    1.798669   1.793796   0.000000
    34  C    2.817618   2.731302   3.419956   0.000000
    35  H    2.858822   3.345243   3.908315   1.103476   0.000000
    36  H    3.846919   3.598833   4.169284   1.097509   1.796370
    37  H    2.950342   2.392153   3.629192   1.099772   1.791286
    38  C    7.867014   6.538459   7.229872   5.822423   6.811723
    39  O    8.432172   7.077385   7.551983   6.616169   7.644897
    40  N    7.106163   5.998071   6.637701   4.803352   5.721262
    41  H    8.144665   6.722567   7.651347   6.107859   7.071324
    42  C    6.925702   6.066076   6.320267   4.694742   5.558453
    43  H    7.361129   6.428037   6.500524   5.421059   6.339044
    44  H    7.619925   6.923303   7.142168   5.217542   5.938056
    45  H    5.910356   5.197366   5.358721   3.728869   4.581599
    46  C    6.766193   5.761579   6.674254   4.220490   5.004049
    47  H    7.195042   6.033520   7.161063   4.792112   5.571926
    48  H    5.705335   4.799232   5.739033   3.127836   3.921481
    49  H    7.389785   6.577711   7.417423   4.676219   5.289858
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796456   0.000000
    38  C    5.113533   5.654397   0.000000
    39  O    5.939699   6.521413   1.241904   0.000000
    40  N    3.964399   4.793700   1.361421   2.317856   0.000000
    41  H    5.478512   5.753847   1.109105   2.056909   2.056014
    42  C    3.775764   5.004049   2.470557   2.871850   1.462870
    43  H    4.602399   5.729266   2.554779   2.441966   2.100228
    44  H    4.190534   5.625142   3.153095   3.566816   2.109289
    45  H    2.844767   4.171841   3.219734   3.684937   2.107290
    46  C    3.385203   4.082847   2.467192   3.637229   1.463742
    47  H    4.118804   4.410837   2.552619   3.793571   2.106728
    48  H    2.345754   3.004024   3.190605   4.274482   2.113797
    49  H    3.723049   4.682158   3.184995   4.289274   2.111994
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.416885   0.000000
    43  H    3.643918   1.096493   0.000000
    44  H    4.025729   1.102829   1.797401   0.000000
    45  H    4.060439   1.100912   1.798113   1.786976   0.000000
    46  C    2.559014   2.486151   3.407214   2.821403   2.692488
    47  H    2.153829   3.415819   4.197747   3.802783   3.691301
    48  H    3.338199   2.740451   3.692464   3.200798   2.481893
    49  H    3.315366   2.780944   3.791515   2.668796   3.060592
                   46         47         48         49
    46  C    0.000000
    47  H    1.099120   0.000000
    48  H    1.102491   1.795007   0.000000
    49  H    1.102416   1.796980   1.787240   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2156521      0.1889519      0.1849765
 Leave Link  202 at Mon Nov 14 00:44:05 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.3412395993 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841370389 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.1571025604 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4044
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.39%
 GePol: Cavity surface area                          =    466.291 Ang**2
 GePol: Cavity volume                                =    458.168 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039604001 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.1531421603 Hartrees.
 Leave Link  301 at Mon Nov 14 00:44:05 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37529.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:44:06 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:44:06 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000307    0.002056    0.000099
         Rot=    1.000000   -0.000107    0.000061   -0.000220 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50919729430    
 Leave Link  401 at Mon Nov 14 00:44:13 2016, MaxMem=  2952790016 cpu:        81.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49061808.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   3064.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.59D-15 for   2113   1091.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.44D-15 for   2460.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.36D-11 for   4036   3779.
 E= -1013.45051006295    
 DIIS: error= 3.75D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45051006295     IErMin= 1 ErrMin= 3.75D-04
 ErrMax= 3.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-04 BMatP= 1.74D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.75D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=7.02D-05 MaxDP=4.32D-03              OVMax= 5.06D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.02D-05    CP:  1.00D+00
 E= -1013.45082061636     Delta-E=       -0.000310553412 Rises=F Damp=F
 DIIS: error= 3.99D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45082061636     IErMin= 2 ErrMin= 3.99D-05
 ErrMax= 3.99D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-06 BMatP= 1.74D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-01 0.987D+00
 Coeff:      0.135D-01 0.987D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.66D-06 MaxDP=4.61D-04 DE=-3.11D-04 OVMax= 5.92D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.23D-06    CP:  1.00D+00  9.60D-01
 E= -1013.45081915377     Delta-E=        0.000001462590 Rises=F Damp=F
 DIIS: error= 6.33D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45082061636     IErMin= 2 ErrMin= 3.99D-05
 ErrMax= 6.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.28D-06 BMatP= 2.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-02 0.589D+00 0.409D+00
 Coeff:      0.119D-02 0.589D+00 0.409D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.09D-06 MaxDP=4.42D-04 DE= 1.46D-06 OVMax= 6.66D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.70D-06    CP:  1.00D+00  9.68D-01  4.29D-01
 E= -1013.45082175090     Delta-E=       -0.000002597122 Rises=F Damp=F
 DIIS: error= 3.83D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45082175090     IErMin= 4 ErrMin= 3.83D-05
 ErrMax= 3.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-06 BMatP= 2.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D-03 0.262D+00 0.321D+00 0.417D+00
 Coeff:     -0.123D-03 0.262D+00 0.321D+00 0.417D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.12D-06 MaxDP=1.57D-04 DE=-2.60D-06 OVMax= 2.85D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.24D-06    CP:  1.00D+00  9.72D-01  5.23D-01  4.23D-01
 E= -1013.45082265987     Delta-E=       -0.000000908978 Rises=F Damp=F
 DIIS: error= 1.54D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45082265987     IErMin= 5 ErrMin= 1.54D-05
 ErrMax= 1.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.53D-08 BMatP= 1.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-04 0.149D+00 0.203D+00 0.299D+00 0.350D+00
 Coeff:     -0.139D-04 0.149D+00 0.203D+00 0.299D+00 0.350D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.25D-07 MaxDP=5.19D-05 DE=-9.09D-07 OVMax= 7.50D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.37D-07    CP:  1.00D+00  9.72D-01  5.12D-01  4.60D-01  5.62D-01
 E= -1013.45082274050     Delta-E=       -0.000000080632 Rises=F Damp=F
 DIIS: error= 8.19D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45082274050     IErMin= 6 ErrMin= 8.19D-07
 ErrMax= 8.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-10 BMatP= 9.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.189D-04 0.438D-01 0.623D-01 0.947D-01 0.138D+00 0.662D+00
 Coeff:     -0.189D-04 0.438D-01 0.623D-01 0.947D-01 0.138D+00 0.662D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.90D-08 MaxDP=5.08D-06 DE=-8.06D-08 OVMax= 5.85D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.72D-08    CP:  1.00D+00  9.72D-01  5.15D-01  4.60D-01  5.67D-01
                    CP:  9.05D-01
 E= -1013.45082274098     Delta-E=       -0.000000000477 Rises=F Damp=F
 DIIS: error= 3.70D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45082274098     IErMin= 7 ErrMin= 3.70D-07
 ErrMax= 3.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-10 BMatP= 6.29D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-04 0.117D-01 0.173D-01 0.270D-01 0.452D-01 0.356D+00
 Coeff-Com:  0.543D+00
 Coeff:     -0.128D-04 0.117D-01 0.173D-01 0.270D-01 0.452D-01 0.356D+00
 Coeff:      0.543D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.33D-08 MaxDP=2.57D-06 DE=-4.77D-10 OVMax= 2.11D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.61D-08    CP:  1.00D+00  9.72D-01  5.15D-01  4.61D-01  5.66D-01
                    CP:  9.15D-01  7.79D-01
 E= -1013.45082274099     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 6.39D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45082274099     IErMin= 8 ErrMin= 6.39D-08
 ErrMax= 6.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.67D-12 BMatP= 1.19D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.373D-05 0.104D-02 0.179D-02 0.284D-02 0.646D-02 0.840D-01
 Coeff-Com:  0.222D+00 0.682D+00
 Coeff:     -0.373D-05 0.104D-02 0.179D-02 0.284D-02 0.646D-02 0.840D-01
 Coeff:      0.222D+00 0.682D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=4.36D-07 DE=-9.09D-12 OVMax= 8.01D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.02D-09    CP:  1.00D+00  9.72D-01  5.15D-01  4.61D-01  5.68D-01
                    CP:  9.21D-01  7.87D-01  7.39D-01
 E= -1013.45082274108     Delta-E=       -0.000000000089 Rises=F Damp=F
 DIIS: error= 6.83D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45082274108     IErMin= 8 ErrMin= 6.39D-08
 ErrMax= 6.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-12 BMatP= 4.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.243D-05 0.407D-03 0.782D-03 0.125D-02 0.339D-02 0.509D-01
 Coeff-Com:  0.148D+00 0.504D+00 0.291D+00
 Coeff:     -0.243D-05 0.407D-03 0.782D-03 0.125D-02 0.339D-02 0.509D-01
 Coeff:      0.148D+00 0.504D+00 0.291D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.01D-09 MaxDP=2.30D-07 DE=-8.91D-11 OVMax= 4.24D-07

 Error on total polarization charges =  0.04258
 SCF Done:  E(RB97D) =  -1013.45082274     A.U. after    9 cycles
            NFock=  9  Conv=0.40D-08     -V/T= 2.0213
 KE= 9.923563617128D+02 PE=-6.025687694999D+03 EE= 2.172727368385D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.49
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:45:59 2016, MaxMem=  2952790016 cpu:      1214.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37529.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     369
 Leave Link  701 at Mon Nov 14 00:46:08 2016, MaxMem=  2952790016 cpu:        96.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:46:08 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:46:45 2016, MaxMem=  2952790016 cpu:       440.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.57454166D+00-2.86240630D+00 3.48347198D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000454625    0.001097283   -0.001424733
      2        6           0.000337854    0.000059192    0.000136927
      3        8           0.000001045    0.000012417    0.000027668
      4        7          -0.000046062   -0.000112089    0.000111083
      5        1           0.000031787    0.000157812   -0.000221640
      6        6           0.000035738   -0.000101404   -0.000188558
      7        1           0.000031415    0.000022055    0.000043700
      8        1           0.000069355   -0.000117062   -0.000102338
      9        1           0.000077965    0.000047198    0.000130335
     10        6          -0.000072799   -0.000033115    0.000059981
     11        1          -0.000020444   -0.000065019   -0.000059429
     12        1           0.000061213    0.000031917   -0.000064150
     13        1           0.000032354    0.000024019    0.000002847
     14        6          -0.000043445   -0.000008552    0.000073503
     15        8          -0.000036204    0.000017363   -0.000028349
     16        7          -0.000017348    0.000034618    0.000113196
     17        1          -0.000035096   -0.000031734   -0.000029333
     18        6          -0.000157162   -0.000003277    0.000129785
     19        1           0.000018507   -0.000046240   -0.000007806
     20        1          -0.000012070    0.000014157   -0.000035651
     21        1           0.000005832    0.000071307   -0.000060061
     22        6          -0.000067104    0.000037703   -0.000137851
     23        1          -0.000013562   -0.000011075    0.000014552
     24        1          -0.000081860   -0.000025710    0.000040017
     25        1          -0.000007848    0.000033804   -0.000022854
     26        6          -0.000037428   -0.000107631    0.000012542
     27        8           0.000079765   -0.000056121    0.000032013
     28        7          -0.000056990    0.000038248   -0.000025565
     29        1           0.000040389   -0.000011806    0.000043870
     30        6           0.000037387    0.000168513   -0.000003110
     31        1          -0.000071253   -0.000115468   -0.000006215
     32        1          -0.000013054   -0.000011233    0.000037714
     33        1           0.000011379   -0.000033294    0.000009831
     34        6           0.000010745    0.000048606    0.000090510
     35        1          -0.000027288   -0.000027477    0.000013128
     36        1          -0.000104503   -0.000068769   -0.000028758
     37        1           0.000002276   -0.000046242    0.000013349
     38        6          -0.000332994   -0.000339050    0.000172948
     39        8          -0.000042540    0.000061401    0.000226017
     40        7           0.000418071   -0.000838898   -0.000033132
     41        1           0.000093803   -0.000103036   -0.000056686
     42        6          -0.000026941    0.000243543    0.000231669
     43        1          -0.000048372   -0.000237654   -0.000084284
     44        1           0.000171670    0.000077059    0.000026928
     45        1           0.000067371   -0.000322385    0.000450972
     46        6          -0.000894345    0.000690392    0.000490242
     47        1           0.000133393   -0.000125414   -0.000306248
     48        1           0.000031904    0.000084075    0.000138342
     49        1           0.000010870   -0.000072926    0.000053084
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001424733 RMS     0.000225399
 Leave Link  716 at Mon Nov 14 00:46:45 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000304299 RMS     0.000047706
 Search for a local minimum.
 Step number  11 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .47706D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    7    8    9   10   11
 DE= -2.93D-05 DEPred=-1.61D-05 R= 1.81D+00
 TightC=F SS=  1.41D+00  RLast= 1.18D-01 DXNew= 1.4968D+00 3.5319D-01
 Trust test= 1.81D+00 RLast= 1.18D-01 DXMaxT set to 8.90D-01
 ITU=  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00038   0.00326   0.00345   0.00384   0.00388
     Eigenvalues ---    0.00494   0.00547   0.00699   0.00763   0.00771
     Eigenvalues ---    0.00883   0.00902   0.00964   0.01020   0.01027
     Eigenvalues ---    0.01055   0.01210   0.01231   0.01271   0.01354
     Eigenvalues ---    0.01383   0.01424   0.01516   0.01533   0.01574
     Eigenvalues ---    0.01603   0.01685   0.01778   0.01821   0.01865
     Eigenvalues ---    0.01897   0.01948   0.02028   0.02108   0.02129
     Eigenvalues ---    0.02189   0.02215   0.02362   0.02664   0.02864
     Eigenvalues ---    0.02910   0.03346   0.03649   0.04095   0.04219
     Eigenvalues ---    0.04350   0.04931   0.05119   0.05293   0.05713
     Eigenvalues ---    0.05780   0.06071   0.06095   0.06283   0.06780
     Eigenvalues ---    0.07187   0.07698   0.07715   0.07788   0.07978
     Eigenvalues ---    0.08002   0.08113   0.08413   0.08476   0.08560
     Eigenvalues ---    0.08622   0.08705   0.08771   0.08871   0.08963
     Eigenvalues ---    0.09145   0.09686   0.09819   0.09865   0.10000
     Eigenvalues ---    0.10048   0.10123   0.10391   0.10528   0.10542
     Eigenvalues ---    0.10604   0.10694   0.10789   0.11320   0.11393
     Eigenvalues ---    0.11563   0.11590   0.11840   0.12810   0.13318
     Eigenvalues ---    0.13713   0.14374   0.14694   0.15313   0.15646
     Eigenvalues ---    0.15677   0.16585   0.22068   0.23244   0.23754
     Eigenvalues ---    0.23979   0.24667   0.25113   0.25800   0.26564
     Eigenvalues ---    0.26989   0.27788   0.27982   0.29271   0.29788
     Eigenvalues ---    0.29937   0.30024   0.32723   0.32736   0.32821
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33414   0.33417   0.33426   0.33454   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33831   0.33892   0.33915
     Eigenvalues ---    0.33944   0.33999   0.34162   0.37118   0.39508
     Eigenvalues ---    0.40687   0.41536   0.85943   0.85987   0.86093
     Eigenvalues ---    0.86719
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    11   10    9    8    7
 RFO step:  Lambda=-9.57564184D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  4.25D-05 SmlDif=  1.00D-05
 RMS Error=  0.3496079117D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    5.49460   -5.03655   -0.09794    0.92955   -0.28966
 Iteration  1 RMS(Cart)=  0.01570269 RMS(Int)=  0.00101085
 Iteration  2 RMS(Cart)=  0.00071277 RMS(Int)=  0.00016274
 Iteration  3 RMS(Cart)=  0.00000350 RMS(Int)=  0.00016270
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00016270
 ITry= 1 IFail=0 DXMaxC= 1.72D-01 DCOld= 1.00D+10 DXMaxT= 8.90D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.67040   0.00009  -0.01028   0.00173  -0.00851   6.66189
    R2        6.22197   0.00003   0.00693   0.00086   0.00780   6.22977
    R3        7.00338   0.00004   0.01107   0.00189   0.01295   7.01632
    R4        6.05665  -0.00003   0.00373   0.00052   0.00428   6.06093
    R5        6.59813  -0.00004   0.00312  -0.00067   0.00246   6.60059
    R6        5.96517  -0.00003  -0.00056  -0.00198  -0.00254   5.96264
    R7        6.71915  -0.00001   0.00165   0.00064   0.00230   6.72145
    R8        6.22517   0.00000   0.00117   0.00012   0.00129   6.22646
    R9        6.63316   0.00002  -0.00135  -0.00151  -0.00288   6.63029
   R10        6.04660   0.00000   0.00959   0.00134   0.01094   6.05754
   R11        6.97816   0.00002   0.00427   0.00152   0.00580   6.98396
   R12        6.02676   0.00002   0.00508   0.00200   0.00708   6.03384
   R13        6.91767   0.00003   0.01217   0.00083   0.01297   6.93064
   R14        6.19747   0.00000   0.00092  -0.00032   0.00055   6.19803
   R15        6.87118   0.00000   0.00590   0.00017   0.00599   6.87717
   R16        5.96364  -0.00002   0.00168  -0.00074   0.00095   5.96459
   R17        6.68584  -0.00002  -0.01270  -0.00062  -0.01334   6.67250
   R18        6.63903  -0.00023  -0.02107  -0.00004  -0.02068   6.61835
   R19        6.22846  -0.00005  -0.01248   0.00177  -0.01128   6.21718
   R20        6.82792  -0.00001  -0.07823  -0.01066  -0.08988   6.73804
   R21        5.99840   0.00003  -0.04134  -0.00201  -0.04224   5.95617
   R22        6.81245   0.00030   0.05852   0.01197   0.06888   6.88134
   R23        5.86492   0.00023   0.02423   0.00383   0.02910   5.89401
   R24        2.34828   0.00002   0.00005   0.00001   0.00005   2.34833
   R25        2.57376  -0.00015  -0.00017  -0.00006  -0.00029   2.57347
   R26        2.09409   0.00005  -0.00009   0.00000  -0.00009   2.09400
   R27        2.76690  -0.00006   0.00015  -0.00013   0.00001   2.76691
   R28        2.76798  -0.00004  -0.00011  -0.00015  -0.00028   2.76769
   R29        2.07594   0.00001  -0.00009   0.00013   0.00004   2.07598
   R30        2.08298  -0.00002   0.00007  -0.00008  -0.00001   2.08297
   R31        2.08302   0.00001  -0.00012   0.00001  -0.00011   2.08291
   R32        2.08033  -0.00005   0.00018   0.00009   0.00026   2.08059
   R33        2.07479  -0.00001  -0.00001  -0.00001  -0.00002   2.07477
   R34        2.08371   0.00002  -0.00004   0.00000  -0.00004   2.08368
   R35        2.34869   0.00001   0.00006   0.00002   0.00008   2.34877
   R36        2.57156   0.00001  -0.00003  -0.00012  -0.00014   2.57142
   R37        2.09359   0.00000  -0.00003   0.00001  -0.00002   2.09357
   R38        2.76842   0.00003   0.00067  -0.00021   0.00047   2.76889
   R39        2.76431   0.00011   0.00023   0.00006   0.00034   2.76465
   R40        2.08179  -0.00003  -0.00006  -0.00013  -0.00018   2.08161
   R41        2.08394   0.00000  -0.00006   0.00002  -0.00004   2.08390
   R42        2.07496   0.00000   0.00015  -0.00001   0.00014   2.07510
   R43        2.08314   0.00000   0.00000   0.00002   0.00002   2.08316
   R44        2.08372  -0.00001  -0.00013   0.00000  -0.00019   2.08352
   R45        2.07673   0.00000  -0.00003  -0.00002  -0.00005   2.07669
   R46        2.34819  -0.00003  -0.00004  -0.00002  -0.00006   2.34813
   R47        2.57188  -0.00008  -0.00029  -0.00012  -0.00036   2.57152
   R48        2.09363   0.00000  -0.00008   0.00005  -0.00003   2.09360
   R49        2.76520  -0.00003  -0.00011   0.00003   0.00000   2.76520
   R50        2.76869   0.00005   0.00040   0.00030   0.00076   2.76945
   R51        2.08444   0.00001   0.00007   0.00001   0.00008   2.08452
   R52        2.08148  -0.00001  -0.00012  -0.00003   0.00014   2.08162
   R53        2.07608   0.00000   0.00001   0.00001   0.00002   2.07610
   R54        2.08527   0.00000  -0.00005  -0.00002  -0.00007   2.08519
   R55        2.07399   0.00000   0.00009   0.00012   0.00021   2.07420
   R56        2.07827   0.00000  -0.00019  -0.00006  -0.00025   2.07802
   R57        2.34686  -0.00015  -0.00025   0.00001  -0.00025   2.34661
   R58        2.57271   0.00006   0.00045  -0.00039   0.00004   2.57275
   R59        2.09590   0.00001  -0.00080   0.00016  -0.00065   2.09526
   R60        2.76442   0.00017   0.00195   0.00013   0.00268   2.76710
   R61        2.76607  -0.00027  -0.00172  -0.00010  -0.00122   2.76485
   R62        2.07207  -0.00001  -0.00067   0.00011  -0.00056   2.07151
   R63        2.08405   0.00006   0.00025  -0.00006   0.00019   2.08424
   R64        2.08042   0.00012   0.00017   0.00031   0.00094   2.08136
   R65        2.07704  -0.00004   0.00027  -0.00034  -0.00006   2.07697
   R66        2.08341   0.00014   0.00045   0.00057   0.00171   2.08512
   R67        2.08326   0.00002  -0.00098   0.00052  -0.00046   2.08280
    A1        0.69448  -0.00003  -0.00030  -0.00023  -0.00054   0.69394
    A2        0.98005  -0.00004  -0.00108  -0.00038  -0.00148   0.97857
    A3        0.71819  -0.00003   0.00045  -0.00005   0.00040   0.71860
    A4        1.01283  -0.00004   0.00032  -0.00004   0.00027   1.01310
    A5        2.30258   0.00002  -0.00022   0.00024   0.00003   2.30260
    A6        1.97933   0.00003   0.00070   0.00050   0.00121   1.98055
    A7        1.93473   0.00004   0.00209   0.00083   0.00293   1.93766
    A8        1.64144   0.00004   0.00145   0.00060   0.00207   1.64352
    A9        1.61336   0.00000   0.00037   0.00041   0.00078   1.61414
   A10        1.33058   0.00001   0.00064   0.00049   0.00115   1.33173
   A11        1.74686  -0.00004   0.00025  -0.00019   0.00004   1.74690
   A12        2.04087  -0.00005  -0.00032  -0.00020  -0.00055   2.04032
   A13        1.93086  -0.00006   0.00030  -0.00014   0.00014   1.93100
   A14        2.01014  -0.00005  -0.00102  -0.00036  -0.00140   2.00874
   A15        2.44218  -0.00004   0.00023  -0.00018   0.00003   2.44221
   A16        1.51132   0.00009   0.01119   0.00342   0.01467   1.52599
   A17        1.75601   0.00008   0.00767   0.00187   0.00953   1.76555
   A18        1.59689   0.00004  -0.00061  -0.00003  -0.00058   1.59631
   A19        1.70207   0.00010   0.01007   0.00207   0.01210   1.71417
   A20        2.17200   0.00002   0.00417   0.00124   0.00535   2.17735
   A21        2.40689   0.00000   0.01029   0.00193   0.01200   2.41889
   A22        0.66063  -0.00002  -0.00068  -0.00013  -0.00082   0.65981
   A23        0.66309  -0.00001  -0.00030   0.00004  -0.00027   0.66282
   A24        2.37920   0.00001  -0.00152  -0.00018  -0.00170   2.37749
   A25        2.19002   0.00001   0.00018   0.00020   0.00038   2.19039
   A26        2.28014   0.00002   0.00217   0.00063   0.00281   2.28295
   A27        2.01329   0.00002   0.00160   0.00040   0.00202   2.01531
   A28        1.78498  -0.00001   0.00031   0.00026   0.00057   1.78555
   A29        1.53579   0.00000   0.00085   0.00042   0.00129   1.53708
   A30        1.35273  -0.00001  -0.00021  -0.00006  -0.00029   1.35244
   A31        1.64911  -0.00002  -0.00096  -0.00013  -0.00111   1.64800
   A32        1.59664  -0.00004  -0.00067  -0.00018  -0.00087   1.59577
   A33        1.74738  -0.00003  -0.00211  -0.00046  -0.00257   1.74482
   A34        2.04634  -0.00001  -0.00025  -0.00006  -0.00034   2.04601
   A35        1.71771   0.00009   0.01521   0.00424   0.01950   1.73722
   A36        1.83201   0.00008   0.01042   0.00250   0.01293   1.84494
   A37        1.53622   0.00004   0.00163   0.00076   0.00246   1.53868
   A38        1.53081   0.00010   0.01063   0.00261   0.01322   1.54403
   A39        2.22703   0.00002   0.00466   0.00121   0.00579   2.23283
   A40        2.34020   0.00000   0.01651   0.00282   0.01922   2.35942
   A41        0.70527  -0.00002  -0.00095  -0.00017  -0.00113   0.70414
   A42        0.77305  -0.00001  -0.00065  -0.00011  -0.00076   0.77229
   A43        2.68115  -0.00001  -0.00268  -0.00057  -0.00326   2.67790
   A44        2.59203   0.00000  -0.00066   0.00000  -0.00066   2.59137
   A45        2.62414   0.00001   0.00199   0.00065   0.00265   2.62679
   A46        2.31587   0.00002   0.00164   0.00050   0.00216   2.31803
   A47        2.18572  -0.00002  -0.00042   0.00009  -0.00033   2.18539
   A48        1.94062  -0.00001   0.00013   0.00027   0.00042   1.94103
   A49        1.12449  -0.00001  -0.00011  -0.00016  -0.00028   1.12421
   A50        1.48539  -0.00002  -0.00110  -0.00026  -0.00138   1.48401
   A51        1.59426  -0.00004  -0.00130  -0.00039  -0.00170   1.59256
   A52        1.83225  -0.00005  -0.00266  -0.00065  -0.00326   1.82898
   A53        1.80326  -0.00001  -0.00033  -0.00016  -0.00050   1.80276
   A54        1.52401   0.00011   0.01740   0.00472   0.02216   1.54618
   A55        1.51651   0.00009   0.01166   0.00283   0.01452   1.53102
   A56        1.16557   0.00005   0.00310   0.00120   0.00438   1.16995
   A57        1.12820   0.00011   0.01132   0.00280   0.01409   1.14229
   A58        1.86882   0.00005   0.00500   0.00125   0.00617   1.87499
   A59        1.94035   0.00002   0.01765   0.00303   0.02059   1.96093
   A60        0.84293  -0.00002   0.00036   0.00009   0.00045   0.84338
   A61        0.78707  -0.00001   0.00138   0.00028   0.00166   0.78873
   A62        2.60985  -0.00001  -0.00004  -0.00017  -0.00021   2.60964
   A63        2.75666  -0.00001   0.00050   0.00008   0.00058   2.75724
   A64        2.59017   0.00001   0.00021   0.00025   0.00047   2.59064
   A65        2.37774  -0.00002   0.00090   0.00031   0.00120   2.37894
   A66        2.17347  -0.00002   0.00096   0.00042   0.00138   2.17484
   A67        0.87185   0.00000   0.00170   0.00017   0.00186   0.87371
   A68        1.24672  -0.00002   0.00082   0.00009   0.00091   1.24762
   A69        1.43337  -0.00004   0.00086   0.00002   0.00089   1.43427
   A70        1.70636  -0.00004  -0.00017  -0.00015  -0.00027   1.70609
   A71        1.52834   0.00000   0.00106   0.00010   0.00116   1.52950
   A72        1.55080   0.00011   0.01488   0.00410   0.01903   1.56983
   A73        1.43251   0.00008   0.00955   0.00243   0.01201   1.44453
   A74        1.03339   0.00005   0.00248   0.00124   0.00378   1.03717
   A75        0.92060   0.00011   0.00970   0.00266   0.01237   0.93297
   A76        1.71496   0.00006   0.00295   0.00076   0.00365   1.71861
   A77        1.72205   0.00003   0.01748   0.00291   0.02032   1.74237
   A78        1.99450   0.00001  -0.00160  -0.00031  -0.00190   1.99260
   A79        1.92481   0.00001  -0.00012   0.00000  -0.00011   1.92469
   A80        2.19498   0.00002   0.00144   0.00036   0.00181   2.19678
   A81        2.04583   0.00001   0.00080   0.00012   0.00094   2.04677
   A82        1.53485   0.00000   0.00056   0.00022   0.00078   1.53563
   A83        1.35480   0.00000   0.00126   0.00043   0.00171   1.35650
   A84        1.18434  -0.00001  -0.00001   0.00006   0.00004   1.18438
   A85        1.37336  -0.00001  -0.00048  -0.00001  -0.00051   1.37285
   A86        1.21285  -0.00003  -0.00017  -0.00010  -0.00029   1.21256
   A87        1.32539  -0.00003  -0.00174  -0.00044  -0.00218   1.32321
   A88        1.79985   0.00000   0.00035   0.00008   0.00042   1.80027
   A89        2.14894   0.00009   0.01501   0.00426   0.01929   2.16823
   A90        2.22052   0.00007   0.01067   0.00265   0.01333   2.23385
   A91        1.86112   0.00004   0.00263   0.00120   0.00389   1.86501
   A92        1.75903   0.00009   0.00944   0.00269   0.01211   1.77114
   A93        2.55718   0.00004   0.00351   0.00091   0.00433   2.56151
   A94        2.51923   0.00001   0.01681   0.00271   0.01944   2.53867
   A95        1.91035   0.00001  -0.00205  -0.00048  -0.00253   1.90782
   A96        1.97317   0.00000  -0.00076  -0.00020  -0.00097   1.97220
   A97        2.34224   0.00001   0.00037   0.00008   0.00045   2.34269
   A98        2.28615  -0.00001  -0.00001  -0.00006  -0.00006   2.28609
   A99        1.63796   0.00000   0.00028   0.00012   0.00041   1.63837
   A100       1.52802   0.00000   0.00102   0.00037   0.00140   1.52942
   A101       0.88193   0.00000   0.00031   0.00009   0.00038   0.88232
   A102       1.05685  -0.00001  -0.00030  -0.00004  -0.00035   1.05650
   A103       0.93405  -0.00003  -0.00032  -0.00020  -0.00054   0.93351
   A104       1.10036  -0.00003  -0.00199  -0.00054  -0.00251   1.09785
   A105       1.48308   0.00000   0.00054   0.00006   0.00058   1.48366
   A106       2.29702   0.00010   0.01675   0.00461   0.02142   2.31844
   A107       2.21610   0.00007   0.01061   0.00263   0.01327   2.22937
   A108       1.80568   0.00003   0.00402   0.00161   0.00569   1.81137
   A109       1.62326   0.00007   0.00805   0.00252   0.01057   1.63383
   A110       2.41507   0.00005   0.00210   0.00041   0.00244   2.41750
   A111       2.27007   0.00002   0.01511   0.00229   0.01734   2.28741
   A112       0.71339   0.00000   0.00000  -0.00004  -0.00004   0.71335
   A113       1.00561  -0.00001  -0.00037  -0.00010  -0.00048   1.00513
   A114       0.69347   0.00002  -0.00031  -0.00008  -0.00038   0.69309
   A115       0.97982   0.00002  -0.00046  -0.00012  -0.00059   0.97923
   A116       1.79282   0.00000  -0.00140  -0.00030  -0.00169   1.79112
   A117       1.41508   0.00001  -0.00044  -0.00021  -0.00064   1.41443
   A118       1.17844   0.00003  -0.00079  -0.00019  -0.00099   1.17745
   A119       0.90367   0.00004   0.00011  -0.00002   0.00004   0.90371
   A120       1.24600   0.00001   0.00001  -0.00011  -0.00009   1.24591
   A121       2.07508  -0.00010  -0.01476  -0.00411  -0.01892   2.05616
   A122       2.06433  -0.00008  -0.00900  -0.00233  -0.01134   2.05300
   A123       2.35605  -0.00005   0.00020  -0.00044  -0.00031   2.35574
   A124       2.27718  -0.00012  -0.00980  -0.00227  -0.01204   2.26514
   A125       1.67691  -0.00003  -0.00317  -0.00103  -0.00413   1.67278
   A126       1.52957  -0.00001  -0.01346  -0.00252  -0.01586   1.51371
   A127       0.65769  -0.00002  -0.00066  -0.00014  -0.00081   0.65688
   A128       0.66183   0.00001  -0.00032  -0.00012  -0.00044   0.66139
   A129       2.14579   0.00000  -0.00095  -0.00022  -0.00117   2.14462
   A130       1.77898   0.00002  -0.00006  -0.00016  -0.00021   1.77877
   A131       1.47808   0.00003   0.00011  -0.00007   0.00003   1.47811
   A132       1.18518   0.00003   0.00073   0.00002   0.00069   1.18586
   A133       1.63868   0.00001  -0.00012  -0.00017  -0.00029   1.63839
   A134       1.93548  -0.00009  -0.01480  -0.00381  -0.01868   1.91680
   A135       2.09300  -0.00007  -0.01002  -0.00248  -0.01253   2.08047
   A136       2.49217  -0.00004  -0.00283  -0.00130  -0.00421   2.48796
   A137       2.56234  -0.00011  -0.01079  -0.00281  -0.01358   2.54876
   A138       1.80054  -0.00004  -0.00356  -0.00097  -0.00447   1.79607
   A139       1.75079  -0.00001  -0.01697  -0.00303  -0.01992   1.73087
   A140       0.70477   0.00001  -0.00001  -0.00006  -0.00008   0.70470
   A141       0.84099   0.00001   0.00006  -0.00009  -0.00004   0.84095
   A142       2.49446   0.00000  -0.00189  -0.00046  -0.00234   2.49212
   A143       2.11571   0.00001  -0.00094  -0.00036  -0.00130   2.11441
   A144       1.88262   0.00003  -0.00032  -0.00013  -0.00047   1.88215
   A145       1.59539   0.00004   0.00058   0.00002   0.00054   1.59593
   A146       1.84926   0.00000  -0.00169  -0.00050  -0.00219   1.84706
   A147       1.50842  -0.00009  -0.01484  -0.00380  -0.01870   1.48972
   A148       1.71075  -0.00007  -0.01001  -0.00245  -0.01251   1.69824
   A149       2.12725  -0.00004  -0.00436  -0.00167  -0.00609   2.12117
   A150       2.31279  -0.00009  -0.00936  -0.00280  -0.01221   2.30058
   A151       1.50670  -0.00006  -0.00368  -0.00087  -0.00450   1.50220
   A152       1.56063  -0.00003  -0.01892  -0.00326  -0.02213   1.53850
   A153       0.76622  -0.00002  -0.00151  -0.00046  -0.00198   0.76424
   A154       0.77766  -0.00001  -0.00157  -0.00056  -0.00213   0.77553
   A155       2.79817  -0.00001  -0.00174  -0.00039  -0.00213   2.79603
   A156       2.42043   0.00000  -0.00085  -0.00031  -0.00117   2.41926
   A157       2.13239   0.00001  -0.00045  -0.00020  -0.00068   2.13171
   A158       1.83870   0.00002   0.00006  -0.00014  -0.00016   1.83855
   A159       2.16330   0.00000  -0.00134  -0.00035  -0.00170   2.16160
   A160       1.36341  -0.00006  -0.01178  -0.00281  -0.01463   1.34878
   A161       1.65791  -0.00003  -0.00719  -0.00167  -0.00892   1.64899
   A162       2.05725   0.00000  -0.00373  -0.00140  -0.00519   2.05206
   A163       2.31861  -0.00003  -0.00439  -0.00170  -0.00621   2.31240
   A164       1.57703  -0.00004  -0.00145  -0.00015  -0.00158   1.57545
   A165       1.71296  -0.00002  -0.01676  -0.00262  -0.01938   1.69358
   A166       2.11567   0.00001   0.00061   0.00024   0.00086   2.11653
   A167       1.82586   0.00003   0.00126   0.00024   0.00150   1.82736
   A168       1.43682   0.00003   0.00162   0.00031   0.00191   1.43874
   A169       1.16071   0.00004   0.00155   0.00023   0.00171   1.16242
   A170       1.84927   0.00003   0.00122   0.00016   0.00138   1.85066
   A171       2.12655  -0.00007  -0.01262  -0.00305  -0.01578   2.11077
   A172       2.40719  -0.00005  -0.00965  -0.00241  -0.01213   2.39506
   A173       2.82052  -0.00002  -0.00505  -0.00186  -0.00697   2.81355
   A174       2.18965  -0.00004  -0.00382  -0.00104  -0.00479   2.18486
   A175       2.15696   0.00000  -0.01714  -0.00312  -0.02018   2.13678
   A176       2.20360   0.00001   0.00135   0.00050   0.00184   2.20544
   A177       1.99486   0.00002   0.00166   0.00042   0.00208   1.99694
   A178       1.58321   0.00003   0.00210   0.00045   0.00252   1.58574
   A179       1.33903   0.00003   0.00155   0.00026   0.00174   1.34078
   A180       2.10277   0.00003   0.00153   0.00026   0.00178   2.10455
   A181       2.04397  -0.00005  -0.00904  -0.00202  -0.01119   2.03278
   A182       2.40723  -0.00003  -0.00708  -0.00178  -0.00898   2.39826
   A183       2.72421   0.00000  -0.00497  -0.00154  -0.00653   2.71768
   A184       2.33897  -0.00005  -0.00341  -0.00087  -0.00424   2.33473
   A185       2.38757  -0.00001  -0.01850  -0.00333  -0.02178   2.36580
   A186       0.68927  -0.00003  -0.00106  -0.00011  -0.00115   0.68812
   A187       0.97984  -0.00003  -0.00139  -0.00013  -0.00145   0.97839
   A188       0.69744   0.00000  -0.00014  -0.00002  -0.00016   0.69728
   A189       2.02645   0.00005   0.00971   0.00211   0.01176   2.03822
   A190       1.67152   0.00002   0.00529   0.00117   0.00649   1.67800
   A191       1.31991   0.00001   0.00451   0.00149   0.00603   1.32594
   A192       1.02687   0.00000   0.00132   0.00100   0.00239   1.02926
   A193       1.62005   0.00005  -0.00032  -0.00038  -0.00072   1.61934
   A194       1.40403   0.00003   0.01288   0.00178   0.01469   1.41872
   A195       0.66620  -0.00001  -0.00021   0.00005  -0.00009   0.66611
   A196       2.22017   0.00001   0.00353   0.00046   0.00386   2.22403
   A197       1.82469  -0.00001   0.00137   0.00027   0.00167   1.82636
   A198       1.56245  -0.00002   0.00354   0.00124   0.00480   1.56725
   A199       1.26482  -0.00005  -0.00277   0.00010  -0.00259   1.26223
   A200       1.62631   0.00004  -0.00206  -0.00085  -0.00289   1.62342
   A201       1.35137   0.00002   0.00763   0.00082   0.00855   1.35992
   A202       0.71054   0.00001   0.00036   0.00013   0.00051   0.71105
   A203       2.62839   0.00000   0.00137  -0.00001   0.00102   2.62941
   A204       2.23083  -0.00002  -0.00003   0.00004   0.00002   2.23084
   A205       1.97147  -0.00002   0.00327   0.00127   0.00458   1.97605
   A206       1.67242  -0.00005  -0.00237   0.00027  -0.00205   1.67038
   A207       1.97466   0.00004  -0.00343  -0.00104  -0.00443   1.97023
   A208       1.68248   0.00003   0.00299   0.00014   0.00321   1.68569
   A209       0.83326   0.00001   0.00119   0.00034   0.00158   0.83484
   A210       2.74458  -0.00004  -0.00686  -0.00223  -0.00941   2.73517
   A211       2.38688  -0.00004  -0.00239  -0.00053  -0.00290   2.38398
   A212       2.21979  -0.00003   0.00334   0.00125   0.00466   2.22445
   A213       1.92654  -0.00007  -0.00365  -0.00002  -0.00356   1.92298
   A214       2.03764   0.00003  -0.00298  -0.00095  -0.00385   2.03379
   A215       1.74739   0.00002  -0.00072  -0.00040  -0.00100   1.74639
   A216       1.94299  -0.00003  -0.00318  -0.00127  -0.00454   1.93845
   A217       1.55757  -0.00004  -0.00284  -0.00068  -0.00348   1.55409
   A218       1.43221  -0.00004   0.00208   0.00072   0.00278   1.43499
   A219       1.17360  -0.00009  -0.00740  -0.00112  -0.00846   1.16514
   A220       1.26412   0.00002  -0.00378  -0.00117  -0.00492   1.25920
   A221       0.97266   0.00001   0.00322   0.00010   0.00351   0.97617
   A222       0.70752   0.00005   0.00593   0.00082   0.00688   0.71440
   A223       0.99994   0.00006   0.00832   0.00108   0.00927   1.00921
   A224       0.70744  -0.00006  -0.00315  -0.00109  -0.00418   0.70326
   A225       0.99932  -0.00006  -0.00538  -0.00156  -0.00726   0.99206
   A226       0.66246   0.00001   0.00324   0.00005   0.00327   0.66573
   A227       0.67066  -0.00007  -0.00044  -0.00022  -0.00077   0.66989
   A228       0.70326  -0.00001   0.00186   0.00004   0.00180   0.70505
   A229       0.82750  -0.00004   0.01342   0.00210   0.01534   0.84284
   A230       0.80745  -0.00004  -0.00603  -0.00195  -0.00805   0.79940
   A231       0.81259  -0.00010   0.00652   0.00022   0.00671   0.81930
   A232       1.68791  -0.00003  -0.00705  -0.00131  -0.00836   1.67955
   A233       1.79594   0.00018  -0.00015   0.00229   0.00215   1.79809
   A234       2.19170  -0.00002  -0.00016   0.00015   0.00000   2.19170
   A235       2.12943  -0.00004   0.00048  -0.00013   0.00042   2.12984
   A236       1.96180   0.00006  -0.00037  -0.00001  -0.00045   1.96135
   A237       2.12296   0.00002  -0.00019  -0.00004  -0.00022   2.12273
   A238       2.12197  -0.00001   0.00030   0.00023   0.00056   2.12253
   A239       2.03767  -0.00001  -0.00042  -0.00018  -0.00058   2.03708
   A240       1.74157   0.00002   0.00784   0.00177   0.00961   1.75118
   A241       2.62431  -0.00004  -0.00723  -0.00183  -0.00906   2.61526
   A242       1.91149   0.00000  -0.00034   0.00038   0.00005   1.91155
   A243       1.91501  -0.00003  -0.00041  -0.00008  -0.00052   1.91449
   A244       1.92219   0.00000  -0.00036   0.00013  -0.00022   1.92197
   A245       1.90846   0.00002   0.00096  -0.00013   0.00083   1.90929
   A246       1.91060   0.00001  -0.00055  -0.00001  -0.00056   1.91004
   A247       1.89595   0.00001   0.00072  -0.00030   0.00043   1.89639
   A248       1.36264   0.00005   0.00085   0.00047   0.00133   1.36396
   A249       1.90764   0.00002   0.00054   0.00006   0.00060   1.90824
   A250       1.90722   0.00004   0.00028   0.00005   0.00033   1.90755
   A251       1.93021  -0.00003  -0.00025  -0.00028  -0.00053   1.92968
   A252       1.90978   0.00001  -0.00030   0.00021  -0.00010   1.90968
   A253       1.89568  -0.00001  -0.00038  -0.00001  -0.00038   1.89530
   A254       1.91317  -0.00003   0.00010  -0.00002   0.00008   1.91325
   A255       1.71685  -0.00001  -0.00047  -0.00018  -0.00066   1.71620
   A256       1.78101   0.00001   0.00055   0.00042   0.00097   1.78198
   A257       2.19031  -0.00001  -0.00031  -0.00001  -0.00032   2.19000
   A258       2.12998   0.00000   0.00024  -0.00001   0.00023   2.13021
   A259       1.96270   0.00000   0.00007   0.00002   0.00009   1.96279
   A260       2.12282  -0.00002  -0.00032  -0.00016  -0.00049   2.12233
   A261       2.12414   0.00004  -0.00003   0.00022   0.00021   2.12435
   A262       2.03617  -0.00001   0.00035  -0.00006   0.00028   2.03645
   A263       1.34607  -0.00004  -0.00748  -0.00218  -0.00965   1.33643
   A264       1.90100  -0.00007  -0.00091  -0.00009  -0.00103   1.89997
   A265       1.93159   0.00001   0.00025   0.00014   0.00041   1.93200
   A266       1.90960  -0.00002   0.00043  -0.00013   0.00030   1.90990
   A267       1.89801   0.00002   0.00049   0.00002   0.00052   1.89852
   A268       1.91290   0.00003  -0.00031   0.00007  -0.00023   1.91267
   A269       1.91063   0.00003   0.00003  -0.00001   0.00002   1.91065
   A270       2.63287   0.00001  -0.00091  -0.00002  -0.00093   2.63193
   A271       1.73158  -0.00002   0.00108   0.00005   0.00113   1.73271
   A272       1.92358   0.00001  -0.00050   0.00009  -0.00040   1.92318
   A273       1.91603   0.00000  -0.00006  -0.00011  -0.00019   1.91584
   A274       1.91429  -0.00002  -0.00016  -0.00004  -0.00022   1.91407
   A275       1.89418   0.00001   0.00018   0.00004   0.00023   1.89441
   A276       1.91017   0.00000   0.00009   0.00004   0.00014   1.91030
   A277       1.90537  -0.00001   0.00046  -0.00001   0.00046   1.90583
   A278       1.81929   0.00004  -0.00167   0.00021  -0.00144   1.81785
   A279       1.75069   0.00003   0.00675   0.00067   0.00741   1.75810
   A280       2.18952  -0.00001  -0.00046  -0.00009  -0.00055   2.18897
   A281       2.13064  -0.00003   0.00001  -0.00002  -0.00002   2.13062
   A282       1.96294   0.00003   0.00046   0.00012   0.00059   1.96353
   A283       2.12158  -0.00005  -0.00031  -0.00023  -0.00054   2.12104
   A284       2.11500   0.00001  -0.00009  -0.00012  -0.00020   2.11480
   A285       2.04237   0.00004   0.00021   0.00029   0.00050   2.04287
   A286       2.70333  -0.00004  -0.00570  -0.00102  -0.00670   2.69663
   A287       1.65667   0.00003   0.00533   0.00096   0.00627   1.66294
   A288       1.92592  -0.00002  -0.00014   0.00019   0.00006   1.92598
   A289       1.91473  -0.00003  -0.00016  -0.00003  -0.00012   1.91461
   A290       1.91154   0.00002   0.00012   0.00013   0.00023   1.91178
   A291       1.89261  -0.00002  -0.00033  -0.00023  -0.00062   1.89199
   A292       1.91225   0.00001   0.00044  -0.00002   0.00042   1.91267
   A293       1.90660   0.00003   0.00005  -0.00005   0.00002   1.90661
   A294       1.35207  -0.00004  -0.01101  -0.00268  -0.01369   1.33838
   A295       1.15088   0.00001   0.00486   0.00203   0.00691   1.15779
   A296       1.93326   0.00000   0.00027   0.00020   0.00051   1.93377
   A297       1.90671  -0.00001   0.00068   0.00031   0.00099   1.90769
   A298       1.90127   0.00000  -0.00068  -0.00040  -0.00116   1.90011
   A299       1.90948   0.00003   0.00020  -0.00009   0.00010   1.90959
   A300       1.89864  -0.00001   0.00038   0.00022   0.00061   1.89925
   A301       1.91440  -0.00002  -0.00087  -0.00025  -0.00108   1.91332
   A302       1.76001   0.00000  -0.04006  -0.00533  -0.04505   1.71496
   A303       1.70354  -0.00003   0.04110   0.00665   0.04785   1.75140
   A304       2.19512  -0.00005  -0.00056   0.00037  -0.00051   2.19461
   A305       2.12871   0.00001  -0.00101   0.00028  -0.00019   2.12851
   A306       1.95918   0.00003   0.00152  -0.00062   0.00070   1.95988
   A307       2.12914   0.00004  -0.00082   0.00103   0.00027   2.12941
   A308       2.12311  -0.00013  -0.00252  -0.00150  -0.00386   2.11924
   A309       2.03007   0.00010   0.00297   0.00041   0.00337   2.03344
   A310       1.57884  -0.00024  -0.04788  -0.01130  -0.05894   1.51990
   A311       2.78118   0.00013   0.04390   0.01066   0.05399   2.83517
   A312       1.91041  -0.00007  -0.00101   0.00000  -0.00057   1.90984
   A313       1.91634   0.00004  -0.00051   0.00037  -0.00215   1.91419
   A314       1.91558  -0.00015   0.00071   0.00003   0.00004   1.91563
   A315       1.91325   0.00011   0.00172   0.00020   0.00251   1.91575
   A316       1.91685   0.00008   0.00208  -0.00040   0.00178   1.91863
   A317       1.89132   0.00000  -0.00300  -0.00021  -0.00162   1.88970
   A318       1.65885  -0.00018   0.05627   0.00898   0.06503   1.72387
   A319       1.91563  -0.00004  -0.00012  -0.00169  -0.00082   1.91481
   A320       1.92192  -0.00018  -0.00029   0.00005  -0.00138   1.92054
   A321       1.91948   0.00014  -0.00044   0.00145   0.00109   1.92057
   A322       1.90655  -0.00002  -0.00219  -0.00001  -0.00248   1.90407
   A323       1.90974   0.00011   0.00501  -0.00193   0.00294   1.91268
   A324       1.89026  -0.00001  -0.00195   0.00214   0.00066   1.89093
   A325       2.91477   0.00000   0.00100   0.00045   0.00145   2.91623
   A326       3.31544   0.00010   0.01043   0.00248   0.01288   3.32831
   A327       3.03265   0.00010   0.01071   0.00256   0.01325   3.04590
   A328       3.27580   0.00001   0.00095   0.00045   0.00141   3.27721
   A329       3.25670  -0.00001  -0.00744  -0.00219  -0.00963   3.24707
   A330       3.26156  -0.00001  -0.01082  -0.00278  -0.01359   3.24797
   A331       3.56859  -0.00007   0.06127   0.00705   0.06796   3.63655
   A332       3.21541   0.00000   0.00129   0.00016   0.00146   3.21686
   A333       3.10902  -0.00001  -0.00341  -0.00159  -0.00502   3.10400
   A334       3.06050  -0.00003  -0.00403  -0.00184  -0.00589   3.05461
   A335       3.22872   0.00001   0.00193   0.00049   0.00242   3.23114
   A336       3.07412   0.00000   0.00248   0.00035   0.00284   3.07696
   A337       3.10163  -0.00001   0.00001   0.00106   0.00110   3.10273
   A338       3.01654  -0.00003   0.00302   0.00073   0.00385   3.02039
    D1        2.74442  -0.00001   0.00119   0.00067   0.00185   2.74626
    D2       -1.35604  -0.00001  -0.00081   0.00075  -0.00008  -1.35612
    D3        2.72689  -0.00001   0.00446   0.00128   0.00573   2.73263
    D4       -1.37357  -0.00001   0.00246   0.00137   0.00381  -1.36976
    D5        1.62276  -0.00003   0.00295   0.00077   0.00372   1.62648
    D6       -2.47771  -0.00002   0.00095   0.00086   0.00180  -2.47591
    D7        1.77897  -0.00002   0.00255   0.00081   0.00336   1.78233
    D8       -2.32149  -0.00002   0.00056   0.00090   0.00143  -2.32005
    D9        0.24102   0.00002   0.00518   0.00173   0.00691   0.24793
   D10        2.42374   0.00002   0.00318   0.00181   0.00499   2.42873
   D11       -0.02681   0.00000   0.00377   0.00134   0.00511  -0.02171
   D12        2.15591   0.00000   0.00177   0.00142   0.00318   2.15909
   D13       -0.48851  -0.00001   0.00316   0.00112   0.00428  -0.48423
   D14        1.69421  -0.00001   0.00116   0.00121   0.00236   1.69656
   D15       -0.61147   0.00000   0.00396   0.00137   0.00532  -0.60615
   D16        1.57125   0.00000   0.00196   0.00145   0.00340   1.57464
   D17        0.15555  -0.00002   0.00244   0.00092   0.00336   0.15891
   D18        2.33827  -0.00002   0.00045   0.00100   0.00143   2.33970
   D19        0.10703  -0.00003   0.00183   0.00067   0.00248   0.10951
   D20        2.28975  -0.00003  -0.00017   0.00075   0.00056   2.29031
   D21        2.29027  -0.00001   0.00320   0.00124   0.00443   2.29470
   D22       -1.81019  -0.00001   0.00120   0.00132   0.00251  -1.80769
   D23        2.03617   0.00000   0.00401   0.00138   0.00538   2.04155
   D24       -2.06429   0.00000   0.00201   0.00146   0.00345  -2.06084
   D25        1.59918   0.00002   0.00431   0.00140   0.00569   1.60487
   D26       -2.50128   0.00002   0.00231   0.00149   0.00376  -2.49751
   D27        1.29190   0.00003   0.00454   0.00144   0.00589   1.29779
   D28       -2.80856   0.00003   0.00254   0.00152   0.00397  -2.80459
   D29        2.22474   0.00000   0.00519   0.00162   0.00680   2.23155
   D30       -1.87572   0.00000   0.00320   0.00171   0.00488  -1.87084
   D31       -1.96968   0.00006   0.01496   0.00395   0.01892  -1.95076
   D32        0.21304   0.00006   0.01296   0.00404   0.01699   0.23004
   D33       -2.28444   0.00002   0.01033   0.00279   0.01315  -2.27129
   D34       -0.10172   0.00002   0.00833   0.00287   0.01123  -0.09049
   D35       -2.67232   0.00000   0.00767   0.00274   0.01045  -2.66187
   D36       -0.48960   0.00000   0.00567   0.00283   0.00853  -0.48107
   D37       -2.95347   0.00000   0.00585   0.00251   0.00838  -2.94509
   D38       -0.77075   0.00000   0.00386   0.00259   0.00646  -0.76429
   D39       -2.23841   0.00002   0.00428   0.00100   0.00521  -2.23320
   D40       -0.05569   0.00003   0.00228   0.00109   0.00329  -0.05240
   D41       -2.47672  -0.00002   0.02401   0.00392   0.02817  -2.44854
   D42       -0.29400  -0.00002   0.02202   0.00401   0.02625  -0.26775
   D43        1.32863   0.00001  -0.00549  -0.00045  -0.00595   1.32268
   D44       -1.97404   0.00001  -0.00383  -0.00110  -0.00494  -1.97898
   D45        2.48272   0.00000  -0.00373  -0.00023  -0.00395   2.47877
   D46       -0.81995  -0.00001  -0.00207  -0.00087  -0.00294  -0.82289
   D47        2.94539  -0.00001  -0.00375  -0.00015  -0.00390   2.94149
   D48       -0.35728  -0.00001  -0.00209  -0.00079  -0.00289  -0.36017
   D49        2.82845   0.00001  -0.00310   0.00047  -0.00263   2.82581
   D50       -0.47422   0.00001  -0.00145  -0.00017  -0.00162  -0.47584
   D51        2.01786   0.00001  -0.00115   0.00079  -0.00035   2.01750
   D52       -1.28481   0.00001   0.00051   0.00015   0.00066  -1.28415
   D53        1.15545   0.00000  -0.00219   0.00027  -0.00191   1.15354
   D54       -2.14722   0.00000  -0.00053  -0.00038  -0.00090  -2.14812
   D55        1.03586   0.00002  -0.00208   0.00039  -0.00169   1.03417
   D56       -2.26681   0.00002  -0.00042  -0.00025  -0.00068  -2.26748
   D57        2.02595  -0.00001  -0.00404  -0.00007  -0.00412   2.02183
   D58       -1.27672  -0.00002  -0.00239  -0.00072  -0.00311  -1.27983
   D59        1.85600  -0.00001  -0.00470  -0.00032  -0.00502   1.85098
   D60       -1.44667  -0.00002  -0.00304  -0.00097  -0.00401  -1.45068
   D61       -2.31227   0.00000  -0.00325   0.00012  -0.00314  -2.31541
   D62        0.66825  -0.00001  -0.00159  -0.00052  -0.00212   0.66613
   D63       -2.43423   0.00000  -0.00332   0.00005  -0.00329  -2.43751
   D64        0.54629   0.00000  -0.00166  -0.00059  -0.00227   0.54402
   D65       -2.83397   0.00000  -0.00295   0.00002  -0.00296  -2.83693
   D66        0.14655  -0.00001  -0.00129  -0.00062  -0.00195   0.14460
   D67       -3.00826   0.00000  -0.00390  -0.00021  -0.00418  -3.01244
   D68       -0.02774   0.00000  -0.00224  -0.00086  -0.00316  -0.03091
   D69       -2.14771   0.00000  -0.00294   0.00006  -0.00288  -2.15059
   D70        0.83281   0.00000  -0.00128  -0.00058  -0.00187   0.83094
   D71       -0.20538   0.00000  -0.00213  -0.00014  -0.00227  -0.20765
   D72        2.77513  -0.00001  -0.00047  -0.00078  -0.00125   2.77388
   D73       -0.60340  -0.00002  -0.00306   0.00005  -0.00299  -0.60638
   D74        2.37712  -0.00003  -0.00140  -0.00060  -0.00197   2.37515
   D75       -0.83582  -0.00001   0.00072   0.00140   0.00211  -0.83371
   D76        2.14469  -0.00002   0.00238   0.00075   0.00313   2.14782
   D77       -1.16182  -0.00003  -0.00524   0.00044  -0.00477  -1.16659
   D78        1.81869  -0.00004  -0.00358  -0.00020  -0.00375   1.81494
   D79       -0.83147   0.00003  -0.00620  -0.00101  -0.00722  -0.83869
   D80        2.14904   0.00003  -0.00454  -0.00166  -0.00621   2.14284
   D81       -1.13417   0.00001   0.00106   0.00023   0.00137  -1.13280
   D82        1.84634   0.00001   0.00271  -0.00041   0.00238   1.84873
   D83       -1.50062  -0.00003   0.00070   0.00019   0.00089  -1.49974
   D84       -2.59656  -0.00001   0.00089   0.00042   0.00132  -2.59525
   D85       -2.95712   0.00000   0.00327   0.00090   0.00418  -2.95294
   D86        0.71098   0.00000   0.00197   0.00092   0.00289   0.71386
   D87        0.29273   0.00000   0.00195   0.00095   0.00290   0.29563
   D88       -0.08804   0.00000   0.00298   0.00116   0.00415  -0.08389
   D89       -0.41676   0.00001   0.00277   0.00111   0.00389  -0.41287
   D90        0.17623  -0.00002   0.00054   0.00057   0.00110   0.17734
   D91       -0.04917  -0.00002   0.00021   0.00046   0.00068  -0.04849
   D92        2.35912   0.00000   0.00094   0.00071   0.00165   2.36077
   D93        2.01488   0.00001   0.00175   0.00078   0.00252   2.01740
   D94        1.61742   0.00002   0.00206   0.00082   0.00285   1.62027
   D95        1.33304   0.00002   0.00188   0.00072   0.00252   1.33556
   D96        2.02464   0.00001   0.00193   0.00079   0.00272   2.02736
   D97       -2.04673   0.00004   0.00941   0.00237   0.01192  -2.03480
   D98       -2.52697  -0.00002   0.00235   0.00092   0.00331  -2.52366
   D99       -2.76621  -0.00002   0.00480   0.00183   0.00662  -2.75959
   D100      -3.05595  -0.00007  -0.00400   0.00011  -0.00387  -3.05982
   D101      -2.89871   0.00005  -0.00471  -0.00129  -0.00601  -2.90473
   D102       2.86541   0.00002  -0.00699  -0.00141  -0.00849   2.85692
   D103      -2.86930  -0.00004  -0.00405  -0.00119  -0.00525  -2.87454
   D104       1.22478  -0.00004  -0.00431  -0.00125  -0.00557   1.21921
   D105       2.86886  -0.00001  -0.00467  -0.00115  -0.00583   2.86303
   D106       0.67976  -0.00001  -0.00493  -0.00121  -0.00616   0.67360
   D107       2.38243  -0.00001  -0.00339  -0.00120  -0.00460   2.37784
   D108       0.19333  -0.00001  -0.00365  -0.00127  -0.00492   0.18841
   D109       1.79283   0.00002  -0.00123  -0.00060  -0.00182   1.79101
   D110      -0.39627   0.00002  -0.00150  -0.00066  -0.00215  -0.39842
   D111       2.62581   0.00000  -0.00341  -0.00081  -0.00423   2.62159
   D112       0.43671   0.00000  -0.00367  -0.00087  -0.00455   0.43215
   D113       2.29592   0.00001  -0.00279  -0.00072  -0.00352   2.29240
   D114       0.10681   0.00001  -0.00305  -0.00079  -0.00384   0.10297
   D115      -1.61019   0.00002   0.00049   0.00007   0.00057  -1.60962
   D116       2.48389   0.00001   0.00023   0.00001   0.00025   2.48413
   D117      -1.77338   0.00000  -0.00171  -0.00053  -0.00223  -1.77561
   D118       2.32070   0.00000  -0.00197  -0.00059  -0.00255   2.31814
   D119      -2.73547   0.00001   0.00030   0.00010   0.00040  -2.73507
   D120       1.35861   0.00001   0.00003   0.00004   0.00008   1.35868
   D121      -2.71240   0.00001  -0.00004   0.00009   0.00006  -2.71234
   D122       1.38168   0.00001  -0.00030   0.00003  -0.00027   1.38142
   D123       1.38292   0.00001  -0.00271  -0.00073  -0.00343   1.37949
   D124      -0.80619   0.00001  -0.00297  -0.00080  -0.00376  -0.80995
   D125       1.34781   0.00001  -0.00312  -0.00079  -0.00389   1.34392
   D126      -0.84129   0.00001  -0.00338  -0.00085  -0.00422  -0.84551
   D127       1.70175   0.00002  -0.00385  -0.00076  -0.00459   1.69717
   D128      -0.48735   0.00001  -0.00412  -0.00083  -0.00491  -0.49227
   D129       1.82271   0.00002  -0.00273  -0.00043  -0.00310   1.81961
   D130      -0.36640   0.00001  -0.00299  -0.00049  -0.00342  -0.36982
   D131       0.94383   0.00000  -0.00428  -0.00094  -0.00521   0.93862
   D132      -1.24527   0.00000  -0.00454  -0.00101  -0.00554  -1.25081
   D133      -0.88218   0.00001  -0.00360  -0.00026  -0.00385  -0.88603
   D134      -3.07129   0.00001  -0.00386  -0.00032  -0.00418  -3.07546
   D135      -0.42868   0.00001  -0.00488  -0.00110  -0.00602  -0.43470
   D136      -2.61779   0.00001  -0.00514  -0.00116  -0.00634  -2.62413
   D137      -0.05327   0.00001  -0.00774  -0.00251  -0.01029  -0.06356
   D138      -2.24238   0.00000  -0.00801  -0.00257  -0.01062  -2.25299
   D139       0.34126  -0.00002  -0.00559  -0.00235  -0.00795   0.33331
   D140      -1.84785  -0.00002  -0.00585  -0.00241  -0.00828  -1.85613
   D141      -0.26275  -0.00004  -0.00146  -0.00006  -0.00152  -0.26428
   D142      -2.45186  -0.00004  -0.00173  -0.00013  -0.00185  -2.45371
   D143      -0.00727  -0.00002  -0.01289  -0.00200  -0.01494  -0.02221
   D144      -2.19638  -0.00002  -0.01315  -0.00206  -0.01527  -2.21164
   D145      -2.48442  -0.00003   0.00132   0.00018   0.00152  -2.48290
   D146      -2.71220  -0.00001  -0.00007  -0.00007  -0.00013  -2.71233
   D147      -2.36614  -0.00002  -0.00088  -0.00030  -0.00117  -2.36731
   D148       3.02986  -0.00001  -0.00030  -0.00022  -0.00052   3.02934
   D149       2.66130  -0.00001  -0.00098  -0.00050  -0.00148   2.65982
   D150       1.51706  -0.00001   0.00417   0.00077   0.00496   1.52201
   D151       2.61515   0.00002   0.00365   0.00070   0.00439   2.61953
   D152       2.97891   0.00001   0.00331   0.00068   0.00401   2.98293
   D153       1.27536  -0.00002  -0.00057  -0.00043  -0.00096   1.27440
   D154       1.30457  -0.00002   0.00011  -0.00018  -0.00003   1.30454
   D155       1.68239   0.00000  -0.00012  -0.00006  -0.00014   1.68226
   D156       1.74472   0.00000   0.00170   0.00038   0.00213   1.74685
   D157       0.93900  -0.00002  -0.00019  -0.00011  -0.00028   0.93872
   D158      -1.00126   0.00003   0.00739   0.00230   0.00970  -0.99156
   D159      -0.65818   0.00004   0.00594   0.00139   0.00729  -0.65090
   D160      -0.64043   0.00003  -0.00038  -0.00018  -0.00052  -0.64094
   D161      -0.34412   0.00011   0.01158   0.00192   0.01331  -0.33082
   D162      -0.29234  -0.00003   0.00470   0.00132   0.00600  -0.28634
   D163      -0.00248  -0.00002   0.00286   0.00085   0.00362   0.00114
   D164      -1.25765  -0.00005  -0.00546  -0.00171  -0.00717  -1.26483
   D165       1.70046  -0.00005  -0.00247  -0.00098  -0.00345   1.69700
   D166      -1.61797  -0.00002  -0.00608  -0.00167  -0.00776  -1.62573
   D167       1.34014  -0.00002  -0.00310  -0.00093  -0.00404   1.33610
   D168      -1.68158  -0.00002  -0.00608  -0.00180  -0.00788  -1.68947
   D169       1.27652  -0.00002  -0.00309  -0.00107  -0.00416   1.27236
   D170      -1.96284   0.00000  -0.00297  -0.00129  -0.00424  -1.96708
   D171       0.99527   0.00000   0.00002  -0.00055  -0.00052   0.99475
   D172      -1.97173  -0.00002  -0.00593  -0.00165  -0.00758  -1.97931
   D173       0.98638  -0.00002  -0.00294  -0.00091  -0.00386   0.98252
   D174      -2.27188  -0.00001  -0.00580  -0.00170  -0.00749  -2.27937
   D175       0.68623  -0.00001  -0.00281  -0.00096  -0.00377   0.68246
   D176       1.98346  -0.00002  -0.00221  -0.00078  -0.00299   1.98048
   D177      -1.34161  -0.00001   0.00077  -0.00005   0.00073  -1.34088
   D178       0.83656   0.00001  -0.00246  -0.00083  -0.00327   0.83329
   D179      -2.48851   0.00001   0.00053  -0.00010   0.00045  -2.48806
   D180       0.37081   0.00001  -0.00373  -0.00126  -0.00495   0.36586
   D181      -2.95426   0.00002  -0.00074  -0.00052  -0.00123  -2.95550
   D182      -3.06137  -0.00001  -0.00610  -0.00179  -0.00787  -3.06924
   D183      -0.10326   0.00000  -0.00311  -0.00105  -0.00415  -0.10740
   D184       2.95451   0.00000  -0.00547  -0.00167  -0.00713   2.94738
   D185      -0.37057   0.00000  -0.00249  -0.00094  -0.00341  -0.37398
   D186       3.09706   0.00001  -0.00571  -0.00152  -0.00721   3.08985
   D187      -0.22802   0.00001  -0.00272  -0.00078  -0.00349  -0.23151
   D188       2.99278   0.00001  -0.00390  -0.00109  -0.00499   2.98779
   D189      -0.33230   0.00001  -0.00091  -0.00035  -0.00127  -0.33357
   D190       2.51266  -0.00002  -0.00649  -0.00180  -0.00828   2.50438
   D191      -0.81241  -0.00001  -0.00351  -0.00106  -0.00456  -0.81697
   D192       0.26954   0.00006   0.00776   0.00252   0.01015   0.27969
   D193      -3.05553   0.00006   0.01075   0.00325   0.01387  -3.04166
   D194       0.64123   0.00005   0.00280   0.00066   0.00329   0.64452
   D195      -2.68385   0.00006   0.00579   0.00139   0.00701  -2.67684
   D196       0.52556   0.00006  -0.00976  -0.00184  -0.01140   0.51416
   D197      -2.79951   0.00007  -0.00677  -0.00111  -0.00768  -2.80719
   D198       1.12474  -0.00006  -0.00203  -0.00029  -0.00237   1.12237
   D199      -2.20034  -0.00005   0.00096   0.00045   0.00136  -2.19898
   D200       1.48075  -0.00005  -0.01216  -0.00221  -0.01434   1.46641
   D201      -1.84433  -0.00004  -0.00918  -0.00148  -0.01062  -1.85495
   D202       1.64771   0.00002  -0.00081   0.00001  -0.00080   1.64691
   D203      -0.57037   0.00002  -0.00319  -0.00037  -0.00355  -0.57392
   D204       1.68618   0.00002  -0.00018   0.00020   0.00003   1.68620
   D205      -0.53190   0.00001  -0.00256  -0.00017  -0.00273  -0.53463
   D206       1.33120   0.00003   0.00065   0.00045   0.00110   1.33230
   D207      -0.88687   0.00003  -0.00173   0.00008  -0.00165  -0.88853
   D208       1.17107   0.00003  -0.00108   0.00016  -0.00092   1.17015
   D209      -1.04700   0.00003  -0.00346  -0.00021  -0.00368  -1.05068
   D210       2.10305   0.00001  -0.00040   0.00026  -0.00014   2.10292
   D211      -0.11502   0.00001  -0.00278  -0.00012  -0.00290  -0.11792
   D212       2.21542   0.00002  -0.00011   0.00042   0.00033   2.21575
   D213      -0.00265   0.00002  -0.00249   0.00005  -0.00243  -0.00508
   D214      -2.23765   0.00003  -0.00164   0.00003  -0.00160  -2.23925
   D215       1.82746   0.00002  -0.00402  -0.00034  -0.00436   1.82310
   D216      -2.42603   0.00002  -0.00027   0.00036   0.00009  -2.42594
   D217       1.63908   0.00002  -0.00265  -0.00001  -0.00267   1.63641
   D218      -2.07638   0.00003   0.00143   0.00081   0.00223  -2.07415
   D219       1.98873   0.00003  -0.00095   0.00044  -0.00053   1.98821
   D220      -2.27455   0.00000   0.00106   0.00059   0.00164  -2.27291
   D221       1.79056   0.00000  -0.00133   0.00022  -0.00112   1.78944
   D222      -2.90565   0.00000  -0.00004   0.00044   0.00040  -2.90525
   D223       1.15946   0.00000  -0.00242   0.00007  -0.00236   1.15710
   D224       3.04849   0.00000   0.00024   0.00051   0.00076   3.04925
   D225       0.83042   0.00000  -0.00214   0.00013  -0.00200   0.82842
   D226      -2.71049  -0.00001  -0.00036   0.00005  -0.00032  -2.71082
   D227       1.35462  -0.00001  -0.00274  -0.00032  -0.00308   1.35154
   D228      -2.65220   0.00000  -0.00207  -0.00029  -0.00236  -2.65456
   D229       1.41291   0.00000  -0.00445  -0.00066  -0.00512   1.40779
   D230      -1.55957   0.00004   0.00120   0.00038   0.00157  -1.55799
   D231       2.50554   0.00003  -0.00119   0.00001  -0.00118   2.50436
   D232       0.05696  -0.00007  -0.01540  -0.00416  -0.01971   0.03725
   D233      -2.16111  -0.00008  -0.01778  -0.00453  -0.02247  -2.18358
   D234      -0.13056  -0.00006  -0.00978  -0.00212  -0.01191  -0.14247
   D235      -2.34863  -0.00006  -0.01216  -0.00249  -0.01467  -2.36330
   D236       0.09514  -0.00003  -0.00093  -0.00028  -0.00128   0.09387
   D237      -2.12293  -0.00003  -0.00331  -0.00065  -0.00404  -2.12697
   D238       0.02911  -0.00012  -0.01271  -0.00269  -0.01536   0.01375
   D239      -2.18897  -0.00012  -0.01510  -0.00307  -0.01812  -2.20708
   D240      -0.54672   0.00000  -0.00508  -0.00114  -0.00615  -0.55287
   D241      -2.76480   0.00000  -0.00747  -0.00151  -0.00891  -2.77370
   D242      -0.74778   0.00002  -0.01231  -0.00211  -0.01428  -0.76207
   D243      -2.96586   0.00002  -0.01469  -0.00248  -0.01704  -2.98290
   D244      -2.90395  -0.00001  -0.00103   0.00065  -0.00038  -2.90433
   D245       0.01657  -0.00001   0.00097   0.00011   0.00109   0.01766
   D246      -3.12148   0.00002  -0.00046   0.00093   0.00048  -3.12100
   D247      -0.20095   0.00001   0.00155   0.00039   0.00194  -0.19901
   D248       2.75674   0.00003   0.00027   0.00109   0.00136   2.75810
   D249      -0.60592   0.00003   0.00228   0.00055   0.00283  -0.60309
   D250       2.51981   0.00004  -0.00013   0.00101   0.00089   2.52070
   D251      -0.84285   0.00003   0.00188   0.00048   0.00236  -0.84049
   D252      -2.92051   0.00003  -0.00008   0.00109   0.00099  -2.91952
   D253       0.00001   0.00002   0.00192   0.00055   0.00246   0.00247
   D254      -3.09377   0.00004   0.00074   0.00125   0.00197  -3.09179
   D255      -0.17324   0.00004   0.00275   0.00071   0.00344  -0.16980
   D256      -0.66835   0.00004  -0.00146   0.00091  -0.00053  -0.66888
   D257       2.25217   0.00003   0.00054   0.00038   0.00093   2.25311
   D258      -0.93110   0.00003  -0.00022   0.00115   0.00094  -0.93016
   D259       1.98943   0.00003   0.00178   0.00061   0.00240   1.99183
   D260      -0.78518   0.00003   0.00151   0.00150   0.00301  -0.78217
   D261       2.13535   0.00003   0.00352   0.00096   0.00448   2.13982
   D262      -1.00111   0.00002   0.00086   0.00121   0.00207  -0.99904
   D263       1.91942   0.00001   0.00286   0.00068   0.00354   1.92295
   D264      -1.33802   0.00002  -0.00007   0.00122   0.00116  -1.33686
   D265       1.58251   0.00001   0.00194   0.00068   0.00262   1.58513
   D266      -1.58538   0.00002   0.00044   0.00136   0.00181  -1.58357
   D267       1.33514   0.00001   0.00245   0.00082   0.00328   1.33842
   D268       1.97170   0.00001  -0.00044   0.00085   0.00041   1.97211
   D269      -1.39096   0.00000   0.00156   0.00031   0.00188  -1.38909
   D270       0.85385   0.00000  -0.00066   0.00091   0.00027   0.85412
   D271      -2.50881   0.00000   0.00134   0.00037   0.00174  -2.50708
   D272       1.23960  -0.00012  -0.03277  -0.00783  -0.04077   1.19883
   D273      -2.12306  -0.00012  -0.03076  -0.00836  -0.03931  -2.16237
   D274       1.23645  -0.00005  -0.01348  -0.00219  -0.01569   1.22076
   D275      -2.12621  -0.00005  -0.01148  -0.00273  -0.01423  -2.14044
   D276       1.61752  -0.00001  -0.00199   0.00016  -0.00190   1.61563
   D277      -1.74514  -0.00002   0.00002  -0.00038  -0.00043  -1.74557
   D278       1.62848  -0.00008  -0.01103  -0.00168  -0.01268   1.61580
   D279      -1.73418  -0.00009  -0.00902  -0.00222  -0.01121  -1.74540
   D280       0.85023   0.00000  -0.00403   0.00007  -0.00388   0.84635
   D281      -2.51243  -0.00001  -0.00203  -0.00046  -0.00241  -2.51484
   D282       0.81103   0.00002  -0.01756  -0.00193  -0.01941   0.79162
   D283      -2.55164   0.00001  -0.01556  -0.00246  -0.01794  -2.56958
   D284       1.62746   0.00001   0.00302   0.00133   0.00435   1.63181
   D285      -2.58749   0.00001   0.00649   0.00171   0.00819  -2.57930
   D286       1.64133   0.00001   0.00454   0.00172   0.00625   1.64759
   D287      -2.57362   0.00001   0.00801   0.00209   0.01009  -2.56352
   D288       1.29476   0.00003   0.00560   0.00201   0.00761   1.30236
   D289      -2.92019   0.00003   0.00907   0.00239   0.01145  -2.90875
   D290       1.21583   0.00004   0.00395   0.00171   0.00565   1.22149
   D291      -2.99912   0.00003   0.00742   0.00209   0.00949  -2.98962
   D292       2.02009   0.00001   0.00462   0.00183   0.00644   2.02653
   D293      -2.19486   0.00001   0.00809   0.00220   0.01028  -2.18458
   D294       2.00343   0.00002   0.00526   0.00199   0.00724   2.01067
   D295      -2.21152   0.00002   0.00873   0.00237   0.01108  -2.20044
   D296      -2.31656   0.00003   0.00283   0.00147   0.00429  -2.31227
   D297      -0.24833   0.00003   0.00630   0.00184   0.00813  -0.24019
   D298      -2.31045   0.00003   0.00452   0.00179   0.00631  -2.30414
   D299      -0.24222   0.00002   0.00799   0.00217   0.01015  -0.23207
   D300      -1.92969   0.00003   0.00555   0.00201   0.00755  -1.92214
   D301       0.13854   0.00003   0.00902   0.00239   0.01139   0.14994
   D302      -1.88403   0.00002   0.00493   0.00175   0.00667  -1.87736
   D303       0.18420   0.00001   0.00840   0.00213   0.01051   0.19471
   D304      -2.66402   0.00002   0.00562   0.00212   0.00773  -2.65629
   D305      -0.59578   0.00002   0.00909   0.00250   0.01157  -0.58421
   D306      -2.81071   0.00002   0.00655   0.00241   0.00897  -2.80174
   D307      -0.74247   0.00002   0.01002   0.00279   0.01281  -0.72966
   D308       1.52691   0.00004   0.00607   0.00192   0.00798   1.53490
   D309      -2.68803   0.00003   0.00954   0.00230   0.01182  -2.67621
   D310       2.62508  -0.00002   0.00409   0.00164   0.00575   2.63083
   D311      -1.58987  -0.00002   0.00756   0.00202   0.00959  -1.58028
   D312       3.00984  -0.00002   0.00242   0.00132   0.00380   3.01365
   D313      -1.20511  -0.00002   0.00589   0.00169   0.00764  -1.19746
   D314      -0.31688  -0.00008  -0.01265  -0.00281  -0.01547  -0.33235
   D315       1.75135  -0.00008  -0.00918  -0.00243  -0.01163   1.73972
   D316      -0.21711  -0.00005  -0.00572  -0.00074  -0.00650  -0.22361
   D317       1.85113  -0.00005  -0.00225  -0.00037  -0.00266   1.84847
   D318       0.18186  -0.00001   0.00152   0.00045   0.00190   0.18376
   D319       2.25009  -0.00002   0.00499   0.00083   0.00574   2.25583
   D320       0.33851  -0.00006  -0.00424  -0.00089  -0.00518   0.33334
   D321       2.40675  -0.00007  -0.00077  -0.00051  -0.00134   2.40541
   D322      -0.52000  -0.00002   0.00082   0.00083   0.00172  -0.51828
   D323       1.54824  -0.00003   0.00429   0.00121   0.00556   1.55379
   D324      -0.56801   0.00000  -0.01611  -0.00177  -0.01773  -0.58574
   D325       1.50022   0.00000  -0.01264  -0.00139  -0.01389   1.48634
   D326      -0.06763   0.00003   0.02446   0.00640   0.03081  -0.03682
   D327       2.10894   0.00003   0.02456   0.00729   0.03172   2.14066
   D328       0.27124  -0.00001   0.02283   0.00582   0.02862   0.29986
   D329       2.44781   0.00000   0.02292   0.00672   0.02953   2.47734
   D330       0.62776  -0.00001   0.02348   0.00599   0.02951   0.65728
   D331       2.80433  -0.00001   0.02358   0.00688   0.03043   2.83476
   D332       0.91253  -0.00002   0.02267   0.00583   0.02859   0.94112
   D333       3.08909  -0.00002   0.02277   0.00673   0.02951   3.11860
   D334       0.28180  -0.00003   0.01917   0.00500   0.02406   0.30586
   D335       2.45836  -0.00002   0.01927   0.00589   0.02498   2.48334
   D336       0.63634  -0.00002   0.02209   0.00601   0.02812   0.66445
   D337       2.81290  -0.00001   0.02218   0.00691   0.02904   2.84194
   D338      -2.45922  -0.00002   0.02383   0.00562   0.02950  -2.42972
   D339      -0.28265  -0.00001   0.02392   0.00652   0.03041  -0.25224
   D340      -2.05349  -0.00003   0.02084   0.00492   0.02590  -2.02759
   D341       0.12307  -0.00003   0.02094   0.00581   0.02682   0.14989
   D342      -2.00776  -0.00002   0.02205   0.00554   0.02771  -1.98004
   D343       0.16881  -0.00001   0.02215   0.00643   0.02863   0.19744
   D344      -1.72332   0.00000   0.02448   0.00630   0.03092  -1.69240
   D345       0.45325   0.00000   0.02457   0.00720   0.03184   0.48508
   D346      -1.65162  -0.00004   0.01642   0.00364   0.02031  -1.63131
   D347       0.52494  -0.00003   0.01652   0.00453   0.02123   0.54617
   D348      -1.33558  -0.00005   0.01549   0.00349   0.01917  -1.31640
   D349       0.84099  -0.00004   0.01559   0.00438   0.02009   0.86108
   D350       1.67017   0.00003   0.03040   0.00790   0.03850   1.70867
   D351      -2.43645   0.00003   0.03049   0.00879   0.03942  -2.39703
   D352       2.05530   0.00004   0.03501   0.00923   0.04439   2.09969
   D353      -2.05132   0.00005   0.03510   0.01013   0.04531  -2.00601
   D354       2.16332   0.00010   0.05159   0.01357   0.06537   2.22870
   D355      -1.94330   0.00010   0.05169   0.01446   0.06629  -1.87701
   D356       2.79000   0.00010   0.05433   0.01400   0.06771   2.85770
   D357      -1.31662   0.00011   0.05443   0.01489   0.06862  -1.24800
   D358       2.42992   0.00002   0.02978   0.00760   0.03737   2.46729
   D359      -1.67670   0.00002   0.02987   0.00849   0.03828  -1.63842
   D360       1.61324  -0.00004   0.00915   0.00215   0.01154   1.62478
   D361      -2.49338  -0.00003   0.00924   0.00305   0.01246  -2.48092
   D362       1.69849   0.00007   0.02754   0.00641   0.03398   1.73247
   D363      -2.40813   0.00007   0.02764   0.00730   0.03489  -2.37324
   D364       2.73033  -0.00004   0.01030   0.00241   0.01251   2.74284
   D365      -1.37629  -0.00004   0.01039   0.00330   0.01343  -1.36286
   D366       2.67657  -0.00005   0.03460   0.00685   0.04139   2.71795
   D367      -1.43005  -0.00005   0.03470   0.00774   0.04231  -1.38775
   D368       0.03726   0.00006  -0.00148  -0.00038  -0.00183   0.03543
   D369      -2.87385   0.00006   0.03807   0.00807   0.04620  -2.82765
   D370       0.42863   0.00003  -0.00061  -0.00038  -0.00097   0.42766
   D371      -2.48248   0.00003   0.03893   0.00808   0.04706  -2.43541
   D372       0.59665   0.00002   0.00091   0.00023   0.00114   0.59779
   D373      -2.31446   0.00002   0.04045   0.00868   0.04918  -2.26529
   D374       0.88170   0.00000  -0.00099  -0.00015  -0.00115   0.88055
   D375      -2.02942   0.00000   0.03855   0.00830   0.04689  -1.98253
   D376       0.71602   0.00003  -0.00212  -0.00084  -0.00295   0.71308
   D377      -2.19509   0.00003   0.03743   0.00761   0.04509  -2.15000
   D378       1.03958   0.00002  -0.00180  -0.00063  -0.00242   1.03716
   D379      -1.87153   0.00002   0.03774   0.00783   0.04562  -1.82591
   D380      -2.86398   0.00002   0.00125   0.00052   0.00182  -2.86216
   D381       0.50809   0.00002   0.04079   0.00898   0.04985   0.55795
   D382      -2.29716  -0.00001   0.00184   0.00031   0.00211  -2.29504
   D383       1.07492  -0.00002   0.04138   0.00876   0.05015   1.12506
   D384      -1.98421  -0.00001  -0.00217  -0.00083  -0.00301  -1.98722
   D385       1.38787  -0.00001   0.03737   0.00763   0.04503   1.43289
   D386      -1.62735  -0.00001  -0.00251  -0.00094  -0.00348  -1.63083
   D387       1.74472  -0.00002   0.03703   0.00751   0.04456   1.78927
   D388      -1.74856  -0.00005   0.00263  -0.00034   0.00211  -1.74644
   D389       1.62351  -0.00005   0.04217   0.00812   0.05015   1.67367
   D390      -0.97701  -0.00007  -0.00851  -0.00380  -0.01231  -0.98932
   D391       2.39506  -0.00007   0.03103   0.00465   0.03572   2.43078
   D392       1.78314   0.00000  -0.00115  -0.00060  -0.00176   1.78138
   D393      -1.12797   0.00000   0.03839   0.00785   0.04627  -1.08170
   D394       2.07808   0.00001  -0.00172  -0.00056  -0.00227   2.07582
   D395      -0.83303   0.00000   0.03783   0.00790   0.04577  -0.78726
   D396       2.01286   0.00001  -0.00075  -0.00029  -0.00099   2.01186
   D397      -0.89826   0.00001   0.03880   0.00817   0.04704  -0.85121
   D398       2.19507   0.00001  -0.00165  -0.00024  -0.00178   2.19329
   D399      -0.71605   0.00001   0.03790   0.00822   0.04626  -0.66979
   D400       2.48573   0.00001  -0.00139  -0.00066  -0.00205   2.48368
   D401      -0.42539   0.00001   0.03815   0.00780   0.04599  -0.37940
   D402      -1.41121  -0.00005  -0.02053  -0.00585  -0.02618  -1.43739
   D403       1.96086  -0.00005   0.01901   0.00260   0.02186   1.98272
   D404      -2.53851   0.00009  -0.00932  -0.00334  -0.01262  -2.55114
   D405       0.83356   0.00009   0.03022   0.00512   0.03541   0.86897
   D406      -2.92642   0.00005   0.00903  -0.00004   0.00895  -2.91747
   D407       0.44565   0.00004   0.04857   0.00841   0.05699   0.50264
   D408       1.79766   0.00000  -0.00919  -0.00139  -0.01059   1.78707
   D409       2.28436  -0.00003  -0.00702  -0.00109  -0.00812   2.27624
   D410       2.49890  -0.00001  -0.00747  -0.00122  -0.00873   2.49017
   D411       2.74614  -0.00001  -0.00967  -0.00170  -0.01142   2.73472
   D412       2.70209  -0.00005  -0.00368  -0.00005  -0.00377   2.69832
   D413      -3.11068  -0.00002  -0.00346  -0.00001  -0.00355  -3.11424
   D414      -0.86593  -0.00001  -0.00986  -0.00205  -0.01196  -0.87789
   D415      -0.48752   0.00000  -0.01006  -0.00220  -0.01230  -0.49982
   D416      -0.17214  -0.00001  -0.01003  -0.00206  -0.01214  -0.18428
   D417       0.13687  -0.00002  -0.01022  -0.00210  -0.01239   0.12448
   D418      -0.35771   0.00003  -0.01034  -0.00240  -0.01276  -0.37046
   D419      -0.03774   0.00002  -0.01191  -0.00285  -0.01475  -0.05249
   D420      -2.66569  -0.00001  -0.00817  -0.00162  -0.00986  -2.67555
   D421      -2.28586  -0.00002  -0.00909  -0.00171  -0.01087  -2.29673
   D422      -2.05486  -0.00003  -0.00787  -0.00147  -0.00942  -2.06428
   D423      -1.73818  -0.00002  -0.00903  -0.00171  -0.01075  -1.74893
   D424      -2.05733  -0.00003  -0.01018  -0.00204  -0.01228  -2.06961
   D425       1.37759  -0.00009  -0.02844  -0.00684  -0.03559   1.34200
   D426       2.50508   0.00005  -0.01730  -0.00464  -0.02199   2.48309
   D427       2.91663   0.00011  -0.00379  -0.00169  -0.00555   2.91107
   D428      -3.09345   0.00000   0.00635   0.00122   0.00757  -3.08588
   D429       0.01018   0.00005  -0.00141   0.00162   0.00019   0.01037
   D430       0.02414   0.00013   0.00439   0.00170   0.00611   0.03025
   D431       3.12777   0.00019  -0.00337   0.00209  -0.00127   3.12650
   D432      -0.00070   0.00004  -0.01599  -0.00103  -0.01702  -0.01772
   D433       2.09424   0.00004  -0.01528  -0.00100  -0.01628   2.07796
   D434      -2.10276   0.00003  -0.01487  -0.00133  -0.01621  -2.11897
   D435      -3.10608  -0.00001  -0.00860  -0.00141  -0.01000  -3.11608
   D436      -1.01114  -0.00001  -0.00789  -0.00138  -0.00927  -1.02041
   D437       1.07505  -0.00002  -0.00748  -0.00171  -0.00920   1.06585
   D438      -2.37595  -0.00005   0.01044   0.00038   0.01083  -2.36512
   D439      -0.28648   0.00001   0.01057   0.00070   0.01127  -0.27521
   D440       1.82105  -0.00003   0.01072   0.00053   0.01125   1.83230
   D441       0.72945   0.00000   0.00304   0.00076   0.00380   0.73325
   D442       2.81891   0.00006   0.00317   0.00108   0.00424   2.82316
   D443      -1.35674   0.00002   0.00332   0.00091   0.00423  -1.35251
   D444      -0.01024  -0.00002   0.00045   0.00017   0.00062  -0.00962
   D445       3.11907  -0.00003   0.00105   0.00044   0.00149   3.12055
   D446      -3.13076  -0.00002   0.00049   0.00013   0.00062  -3.13014
   D447      -0.00146  -0.00002   0.00108   0.00041   0.00149   0.00003
   D448       2.43418   0.00003   0.00774   0.00212   0.00986   2.44404
   D449      -1.76330   0.00001   0.00793   0.00217   0.01010  -1.75320
   D450       0.34350   0.00004   0.00841   0.00217   0.01058   0.35407
   D451      -0.69571   0.00003   0.00718   0.00185   0.00904  -0.68668
   D452       1.38999   0.00002   0.00737   0.00191   0.00927   1.39927
   D453      -2.78640   0.00005   0.00784   0.00190   0.00975  -2.77665
   D454       2.07870   0.00000  -0.00036  -0.00066  -0.00102   2.07768
   D455      -2.11899   0.00002  -0.00049  -0.00063  -0.00110  -2.12009
   D456      -0.02547   0.00000  -0.00006  -0.00074  -0.00080  -0.02627
   D457      -1.07460  -0.00001   0.00020  -0.00040  -0.00020  -1.07480
   D458       1.01090   0.00001   0.00007  -0.00037  -0.00028   1.01061
   D459       3.10441  -0.00001   0.00050  -0.00048   0.00002   3.10444
   D460      -3.06866   0.00006   0.00057   0.00052   0.00107  -3.06759
   D461      -0.02875   0.00005  -0.00168  -0.00008  -0.00176  -0.03051
   D462       0.08691   0.00000  -0.00067  -0.00007  -0.00074   0.08616
   D463       3.12682  -0.00002  -0.00291  -0.00066  -0.00357   3.12324
   D464       1.91171   0.00001  -0.00101   0.00048  -0.00053   1.91118
   D465      -2.28727  -0.00004  -0.00159   0.00030  -0.00133  -2.28860
   D466      -0.19476  -0.00001  -0.00155   0.00030  -0.00124  -0.19599
   D467      -1.13225   0.00003   0.00117   0.00108   0.00223  -1.13002
   D468       0.95196  -0.00003   0.00058   0.00090   0.00143   0.95338
   D469       3.04447   0.00001   0.00062   0.00090   0.00152   3.04599
   D470      -1.62393   0.00003   0.01302   0.00367   0.01667  -1.60726
   D471       0.48062   0.00006   0.01387   0.00388   0.01776   0.49839
   D472       2.57157   0.00004   0.01282   0.00352   0.01635   2.58792
   D473       1.42041   0.00001   0.01084   0.00307   0.01391   1.43432
   D474      -2.75821   0.00004   0.01169   0.00329   0.01500  -2.74321
   D475      -0.66727   0.00002   0.01064   0.00293   0.01358  -0.65369
   D476       0.00075  -0.00012   0.01551   0.00028   0.01575   0.01651
   D477      -3.09419  -0.00023   0.01911   0.00198   0.02118  -3.07301
   D478       3.12235  -0.00009   0.01332   0.00189   0.01520   3.13755
   D479       0.02740  -0.00020   0.01692   0.00359   0.02063   0.04803
   D480      -0.10410  -0.00014  -0.02519  -0.00769  -0.03279  -0.13689
   D481       1.99689  -0.00003  -0.02402  -0.00721  -0.03139   1.96550
   D482      -2.20905  -0.00010  -0.02758  -0.00722  -0.03465  -2.24370
   D483       2.99319  -0.00005  -0.02879  -0.00935  -0.03814   2.95505
   D484      -1.18901   0.00006  -0.02762  -0.00887  -0.03674  -1.22575
   D485       0.88824  -0.00001  -0.03118  -0.00888  -0.04000   0.84824
   D486       0.00737   0.00025  -0.04340  -0.00809  -0.05144  -0.04408
   D487       2.10685   0.00009  -0.04638  -0.00913  -0.05588   2.05097
   D488      -2.09454   0.00006  -0.04923  -0.00555  -0.05525  -2.14978
   D489      -3.09009   0.00016  -0.03986  -0.00650  -0.04623  -3.13632
   D490      -0.99061  -0.00001  -0.04283  -0.00754  -0.05067  -1.04128
   D491       1.09119  -0.00004  -0.04569  -0.00396  -0.05004   1.04115
         Item               Value     Threshold  Converged?
 Maximum Force            0.000304     0.000450     YES
 RMS     Force            0.000048     0.000300     YES
 Maximum Displacement     0.172057     0.001800     NO 
 RMS     Displacement     0.016309     0.001200     NO 
 Predicted change in Energy=-3.631173D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:46:45 2016, MaxMem=  2952790016 cpu:         4.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.880224   -0.629306    1.705512
      2          6           0       -2.168033    0.986194   -1.414620
      3          8           0       -2.606891    0.003236   -2.035477
      4          7           0       -0.905732    1.111263   -0.919121
      5          1           0       -2.801193    1.865599   -1.183019
      6          6           0       -0.499588    2.282053   -0.139292
      7          1           0       -1.342626    2.982160   -0.062012
      8          1           0       -0.191808    1.966804    0.871088
      9          1           0        0.351643    2.785268   -0.626212
     10          6           0        0.095079    0.056092   -1.092457
     11          1           0        0.624324   -0.104279   -0.140416
     12          1           0       -0.406109   -0.873526   -1.392536
     13          1           0        0.832215    0.343845   -1.860330
     14          6           0       -1.967772   -4.065505    2.619826
     15          8           0       -2.137406   -3.922193    3.842741
     16          7           0       -2.880805   -3.768209    1.655674
     17          1           0       -1.014874   -4.442244    2.198611
     18          6           0       -4.206253   -3.240614    1.989950
     19          1           0       -4.473381   -2.460217    1.259874
     20          1           0       -4.965317   -4.039510    1.949295
     21          1           0       -4.183472   -2.808345    2.999126
     22          6           0       -2.583799   -3.945750    0.234193
     23          1           0       -3.282906   -4.671442   -0.212817
     24          1           0       -2.693055   -2.983394   -0.292643
     25          1           0       -1.553426   -4.308481    0.114113
     26          6           0        1.528752    0.359204    2.628845
     27          8           0        1.371779    1.372831    3.330210
     28          7           0        1.136546   -0.900059    2.963777
     29          1           0        2.008346    0.402642    1.631090
     30          6           0        1.445627   -2.049522    2.112665
     31          1           0        2.201895   -2.691601    2.594932
     32          1           0        0.534556   -2.647039    1.950415
     33          1           0        1.825148   -1.697623    1.143587
     34          6           0        0.500669   -1.178377    4.254503
     35          1           0        1.253474   -1.466291    5.008137
     36          1           0       -0.033687   -0.282629    4.596366
     37          1           0       -0.210745   -2.007449    4.129035
     38          6           0       -4.480169    1.428348    2.833477
     39          8           0       -4.641856    2.095086    1.798431
     40          7           0       -3.413862    1.513224    3.675681
     41          1           0       -5.213210    0.662745    3.158831
     42          6           0       -2.315072    2.453056    3.444355
     43          1           0       -2.439377    2.924793    2.462691
     44          1           0       -2.314883    3.225236    4.231879
     45          1           0       -1.353024    1.918330    3.484805
     46          6           0       -3.278205    0.620603    4.826972
     47          1           0       -4.156811   -0.036512    4.892109
     48          1           0       -2.371312    0.001199    4.720361
     49          1           0       -3.188401    1.210439    5.753694
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.525323   0.000000
     3  O    3.863050   1.242685   0.000000
     4  N    3.296652   1.361824   2.316876   0.000000
     5  H    3.926366   1.108099   2.057385   2.057045   0.000000
     6  C    3.712879   2.467675   3.637203   1.464184   2.561286
     7  H    4.056580   2.548475   3.790372   2.103750   2.151926
     8  H    3.207304   3.176716   4.258679   2.108669   3.322422
     9  H    4.698668   3.194843   4.298680   2.114019   3.331096
    10  C    3.492882   2.467905   2.862293   1.464601   3.416271
    11  H    3.155292   3.257298   3.747474   2.103568   4.086760
    12  H    3.439559   2.561918   2.454694   2.100746   3.644603
    13  H    4.584712   3.100445   3.460367   2.120205   3.997017
    14  C    3.556838   6.468116   6.215704   6.360110   7.094660
    15  O    3.934081   7.192570   7.083986   7.037616   7.693986
    16  N    3.294899   5.704306   5.284262   5.860011   6.309066
    17  H    3.940872   6.622172   6.342264   6.369742   7.376668
    18  C    3.508596   5.797530   5.411524   6.188293   6.173762
    19  H    3.205510   4.934096   4.517934   5.498328   5.241815
    20  H    4.605075   6.663214   6.146900   7.158108   7.026032
    21  H    3.424412   6.159682   5.978112   6.438910   6.422366
    22  C    3.695754   5.216850   4.554825   5.451553   5.985610
    23  H    4.688962   5.890341   5.062776   6.292019   6.626178
    24  H    3.192969   4.158379   3.459026   4.511454   4.931247
    25  H    4.021900   5.545120   4.931677   5.555242   6.431076
    26  C    3.667535   5.514430   6.243889   4.368108   5.962210
    27  O    4.150146   5.932383   6.818812   4.828280   6.166502
    28  N    3.279854   5.800738   6.310452   4.826305   6.352210
    29  H    4.023858   5.201829   5.907931   3.936695   5.761173
    30  C    3.639241   5.892016   6.151732   4.971035   6.650202
    31  H    4.659165   6.978464   7.199115   6.038848   7.750604
    32  H    3.156325   5.641616   5.725380   4.943026   6.427249
    33  H    3.897030   5.449110   5.713347   4.427450   6.285911
    34  C    3.530933   6.629201   7.114562   5.829821   7.052286
    35  H    4.629032   7.679401   8.165441   6.814569   8.116171
    36  H    3.447741   6.503637   7.119300   5.755345   6.758348
    37  H    3.249600   6.597347   6.912711   5.974383   7.066034
    38  C    3.502279   4.856727   5.408033   5.192218   4.375201
    39  O    3.880406   4.203943   4.818275   4.723517   3.511374
    40  N    3.289991   5.266973   5.962264   5.250189   4.909836
    41  H    3.858798   5.504014   5.848819   5.948548   5.110415
    42  C    3.565616   5.077690   6.009603   4.777715   4.689777
    43  H    3.676627   4.343424   5.366290   4.132506   3.813660
    44  H    4.629142   6.076004   7.053106   5.743465   5.604126
    45  H    3.151868   5.053462   5.976059   4.499554   4.887592
    46  C    3.641447   6.350088   6.922790   6.235941   6.156099
    47  H    3.960890   6.691487   7.098964   6.757018   6.508679
    48  H    3.118977   6.216875   6.759945   5.931604   6.205698
    49  H    4.635058   7.244043   7.903587   7.053146   6.978334
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098561   0.000000
     8  H    1.102261   1.796108   0.000000
     9  H    1.102229   1.796562   1.790846   0.000000
    10  C    2.493402   3.419164   2.754747   2.780577   0.000000
    11  H    2.637757   3.660758   2.445117   2.942760   1.101000
    12  H    3.396621   4.184934   3.638323   3.814212   1.097920
    13  H    2.914158   3.863235   3.338153   2.777506   1.102633
    14  C    7.075294   7.566547   6.526935   7.927770   5.918104
    15  O    7.551934   7.971754   6.877235   8.435458   6.720635
    16  N    6.745203   7.133297   6.382527   7.655311   5.570762
    17  H    7.137750   7.767857   6.596639   7.879335   5.683146
    18  C    6.983759   7.150792   6.669694   7.995622   6.234658
    19  H    6.343329   6.416267   6.171024   7.372468   5.721547
    20  H    8.016676   8.153103   7.747562   9.026676   7.185668
    21  H    7.023733   7.139392   6.577536   8.062186   6.576629
    22  C    6.577915   7.044444   6.409801   7.393492   4.995111
    23  H    7.490217   7.897155   7.402435   8.305622   5.876574
    24  H    5.706115   6.120840   5.667007   6.531379   4.201413
    25  H    6.679066   7.295814   6.465773   7.382320   4.819013
    26  C    3.933712   4.729209   2.938437   4.226910   3.999422
    27  O    4.045509   4.633044   2.974035   4.323069   4.787875
    28  N    4.736223   5.511199   3.789825   5.204395   4.295569
    29  H    3.599468   4.555164   2.804440   3.676545   3.346400
    30  C    5.255256   6.149911   4.511495   5.663342   4.065760
    31  H    6.285795   7.198231   5.513817   6.617801   5.058194
    32  H    5.452731   6.265904   4.793756   6.015183   4.093791
    33  H    4.784140   5.778290   4.191705   5.039813   3.326943
    34  C    5.681596   6.272169   4.671101   6.289203   5.502582
    35  H    6.604494   7.227369   5.566880   7.115823   6.393495
    36  H    5.405656   5.837178   4.354612   6.069250   5.700353
    37  H    6.058207   6.613790   5.138994   6.774864   5.622784
    38  C    5.040952   4.543386   4.746677   6.095661   6.182955
    39  O    4.576911   3.890124   4.547455   5.593771   5.912130
    40  N    4.861904   4.518643   4.295707   5.856910   6.096805
    41  H    5.976454   5.543910   5.669992   7.056857   6.827840
    42  C    4.020914   3.676983   3.371407   4.877627   5.668943
    43  H    3.308506   2.753231   2.915906   4.165403   5.224173
    44  H    4.826182   4.409294   4.169654   5.559225   6.648304
    45  H    3.740953   3.702938   2.860470   4.534085   5.149394
    46  C    5.928314   5.764164   5.194913   6.899187   6.836473
    47  H    6.638225   6.447894   5.991922   7.664233   7.341810
    48  H    5.685233   5.728474   4.840531   6.614482   6.314662
    49  H    6.565467   6.353606   5.778537   7.464261   7.680074
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794809   0.000000
    13  H    1.789452   1.798408   0.000000
    14  C    5.479891   5.359717   6.881431   0.000000
    15  O    6.170021   6.300785   7.716396   1.242915   0.000000
    16  N    5.379242   4.878001   6.561844   1.360736   2.315085
    17  H    5.193838   5.099282   6.541666   1.107867   2.057595
    18  C    6.140809   5.611187   7.284173   2.467384   2.859635
    19  H    5.787733   5.108382   6.763711   3.271772   3.776951
    20  H    7.148218   6.479017   8.205999   3.071736   3.405287
    21  H    6.346936   6.107265   7.662097   2.575586   2.477645
    22  C    5.018893   4.102090   5.869993   2.466794   3.636130
    23  H    6.010878   4.908346   6.693402   3.181290   4.280316
    24  H    4.395165   3.300216   5.094673   3.190528   4.276855
    25  H    4.741592   3.922403   5.588725   2.551336   3.793800
    26  C    2.949849   4.629775   4.542916   5.639486   5.765815
    27  O    3.845229   5.523707   5.318989   6.421272   6.372939
    28  N    3.245250   4.621467   4.991184   4.446925   4.541436
    29  H    2.304500   4.074373   3.684665   6.062297   6.386146
    30  C    3.087861   4.135013   4.678587   3.996585   4.397520
    31  H    4.082289   5.099704   5.562312   4.390257   4.679842
    32  H    3.293214   3.899426   4.853428   2.953269   3.513730
    33  H    2.372633   3.477005   3.765239   4.708756   5.285450
    34  C    4.525958   5.727499   6.310172   4.135321   3.828513
    35  H    5.362695   6.638841   7.115468   4.778741   4.345995
    36  H    4.785592   6.029495   6.544554   4.685888   4.270833
    37  H    4.748431   5.640186   6.518346   3.098459   2.731343
    38  C    6.103182   6.305218   7.171429   6.044850   5.927516
    39  O    6.027353   6.077539   6.813137   6.765965   6.830748
    40  N    5.786696   6.358457   7.074181   5.859029   5.585786
    41  H    6.749085   6.795828   7.863894   5.760185   5.563268
    42  C    5.294392   6.172989   6.518732   6.579673   6.390154
    43  H    5.033657   5.781365   6.004425   7.007950   6.991204
    44  H    6.232301   7.216462   7.437853   7.474898   7.160214
    45  H    4.598160   5.699085   5.985377   6.077202   5.903819
    46  C    6.358469   7.011679   7.854436   5.343064   4.786139
    47  H    6.941913   7.366487   8.404195   5.117416   4.503075
    48  H    5.710702   6.480330   7.327038   4.594907   4.027150
    49  H    7.141840   7.946865   8.653884   6.256728   5.576759
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056891   0.000000
    18  C    1.465234   3.416483   0.000000
    19  H    2.098523   4.095233   1.101539   0.000000
    20  H    2.122500   3.978738   1.102753   1.792057   0.000000
    21  H    2.103127   3.653828   1.098094   1.797286   1.796995
    22  C    1.462990   2.562610   2.492440   2.613302   2.936323
    23  H    2.113947   3.318356   2.784246   2.911282   2.811508
    24  H    2.108820   3.339293   2.750666   2.419418   3.362267
    25  H    2.104813   2.157096   3.420029   3.640740   3.883457
    26  C    6.117744   5.450599   6.801261   6.771175   7.872953
    27  O    6.878868   6.386839   7.361699   7.290023   8.447434
    28  N    5.106518   4.214399   5.913716   6.067014   6.936718
    29  H    6.426539   5.738890   7.212720   7.095530   8.274415
    30  C    4.677685   3.433157   5.777327   5.994212   6.714681
    31  H    5.279690   3.683670   6.460014   6.811404   7.321382
    32  H    3.606741   2.384343   4.777987   5.058773   5.673409
    33  H    5.166774   4.088000   6.282909   6.345592   7.228002
    34  C    4.989540   4.144441   5.615705   5.945763   6.586127
    35  H    5.799146   4.679223   6.485854   6.916230   7.392654
    36  H    5.376153   4.900444   5.740504   5.965313   6.741076
    37  H    4.043144   3.209577   4.696857   5.158212   5.611283
    38  C    5.563218   6.846545   4.752450   4.194903   5.560092
    39  O    6.123717   7.486776   5.356876   4.590121   6.144970
    40  N    5.679623   6.588207   5.105737   4.769376   6.018328
    41  H    5.228092   6.678993   4.197196   3.729112   4.861648
    42  C    6.497967   7.126538   6.173308   5.794006   7.170245
    43  H    6.755917   7.508140   6.430986   5.880670   7.425999
    44  H    7.474315   8.038311   7.100052   6.768775   8.062972
    45  H    6.165757   6.498118   6.081958   5.818816   7.134585
    46  C    5.429248   6.137049   4.880468   4.862519   5.730971
    47  H    5.101791   6.044599   4.323337   4.378093   5.033670
    48  H    4.884704   5.286145   4.618604   4.738379   5.543915
    49  H    6.455643   7.022511   5.917235   5.943006   6.722563
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390795   0.000000
    23  H    3.820828   1.102360   0.000000
    24  H    3.617696   1.102553   1.789917   0.000000
    25  H    4.182206   1.098936   1.797143   1.794452   0.000000
    26  C    6.542169   6.417169   7.518942   6.126312   6.132779
    27  O    6.960794   7.315683   8.411442   6.973136   7.153839
    28  N    5.652026   5.528818   6.621604   5.441544   5.193638
    29  H    7.107782   6.476699   7.559343   6.104847   6.097715
    30  C    5.748772   4.833282   5.885691   4.877121   4.253402
    31  H    6.399212   5.481683   6.471960   5.690673   4.782384
    32  H    4.835866   3.788958   4.832266   3.944859   3.239145
    33  H    6.385941   5.031887   6.064293   4.912242   4.392170
    34  C    5.116048   5.773664   6.817177   5.842474   5.582087
    35  H    5.949590   6.607792   7.622998   6.780484   6.317294
    36  H    5.113818   6.241000   7.276493   6.186176   6.213508
    37  H    4.207219   4.955622   5.948673   5.163871   4.818417
    38  C    4.250299   6.263660   6.922484   5.694723   6.990850
    39  O    5.069065   6.570703   7.188725   5.827639   7.306230
    40  N    4.441395   6.506400   7.306686   6.040425   7.073771
    41  H    3.624132   6.058509   6.599063   5.617667   6.883125
    42  C    5.601026   7.163942   8.066603   6.607799   7.575552
    43  H    6.016519   7.224363   8.097695   6.524024   7.656434
    44  H    6.435481   8.214430   9.113173   7.691645   8.619322
    45  H    5.530712   6.816797   7.798843   6.331800   7.083424
    46  C    3.989765   6.513632   7.307889   6.288216   7.034329
    47  H    3.356659   6.281138   6.950292   6.140713   6.917845
    48  H    3.760335   5.979069   6.855715   5.843075   6.360802
    49  H    4.972770   7.577382   8.378826   7.375080   8.058319
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242575   0.000000
    28  N    1.360790   2.314225   0.000000
    29  H    1.107886   2.057545   2.057454   0.000000
    30  C    2.464815   3.633231   1.463279   2.561577   0.000000
    31  H    3.124369   4.212995   2.116751   3.246658   1.103081
    32  H    3.238239   4.331758   2.107423   3.402144   1.101545
    33  H    2.554286   3.796650   2.103181   2.163870   1.098627
    34  C    2.462494   2.849879   1.465529   3.413943   2.497861
    35  H    3.011518   3.300008   2.124547   3.932834   2.959871
    36  H    2.593127   2.513769   2.101432   3.665018   3.388075
    37  H    3.298100   3.816908   2.097458   4.119785   2.609805
    38  C    6.106724   5.873255   6.081608   6.678221   6.908705
    39  O    6.463688   6.247543   6.612023   6.864222   7.371157
    40  N    5.182379   4.800147   5.199708   5.900345   6.225015
    41  H    6.769569   6.625381   6.542156   7.385967   7.265739
    42  C    4.452443   3.843538   4.836114   5.117036   6.015767
    43  H    4.728202   4.205483   5.260020   5.180255   6.321359
    44  H    5.055432   4.223256   5.526166   5.781128   6.815833
    45  H    3.386469   2.783167   3.796413   4.127030   5.045698
    46  C    5.292157   4.942519   5.027319   6.181325   6.067258
    47  H    6.132257   5.915326   5.699457   6.988294   6.569995
    48  H    4.439944   4.221922   4.025286   5.374584   5.057129
    49  H    5.721959   5.166709   5.562644   6.682408   6.734883
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788130   0.000000
    33  H    1.798980   1.793876   0.000000
    34  C    2.817480   2.732570   3.420769   0.000000
    35  H    2.867829   3.355693   3.913447   1.103437   0.000000
    36  H    3.847949   3.593660   4.168832   1.097621   1.796496
    37  H    2.939790   2.389756   3.626809   1.099641   1.791538
    38  C    7.853717   6.521966   7.237710   5.798542   6.781059
    39  O    8.389500   7.021829   7.525663   6.572169   7.598719
    40  N    7.098260   5.989519   6.645921   4.785740   5.695347
    41  H    8.158026   6.741791   7.692270   6.102347   7.054838
    42  C    6.898695   6.030191   6.297863   4.666052   5.526411
    43  H    7.287164   6.336561   6.425958   5.356348   6.276788
    44  H    7.621669   6.914333   7.135261   5.226821   5.945265
    45  H    5.889039   5.172998   5.353242   3.690286   4.535420
    46  C    6.781164   5.786986   6.707139   4.224208   4.992401
    47  H    7.263585   6.121874   7.252209   4.837615   5.597224
    48  H    5.716891   4.809349   5.769713   3.139538   3.921150
    49  H    7.366070   6.573087   7.405780   4.643625   5.239370
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795759   0.000000
    38  C    5.080002   5.631266   0.000000
    39  O    5.892129   6.472808   1.241773   0.000000
    40  N    3.936792   4.781279   1.361442   2.317455   0.000000
    41  H    5.457810   5.752902   1.108762   2.056388   2.056235
    42  C    3.743770   4.979265   2.472012   2.872478   1.464286
    43  H    4.541747   5.663083   2.557667   2.445520   2.100830
    44  H    4.200217   5.640830   3.142101   3.551579   2.109051
    45  H    2.796505   4.139030   3.231616   3.700204   2.108932
    46  C    3.375782   4.099157   2.463980   3.633966   1.463096
    47  H    4.141037   4.476418   2.547223   3.788116   2.105553
    48  H    2.358055   3.008718   3.169285   4.251753   2.112934
    49  H    3.677075   4.675549   3.200597   4.305721   2.112026
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418471   0.000000
    43  H    3.646316   1.096198   0.000000
    44  H    4.014734   1.102931   1.798831   0.000000
    45  H    4.072319   1.101410   1.799402   1.786420   0.000000
    46  C    2.555136   2.489405   3.406281   2.840112   2.681758
    47  H    2.146903   3.418471   4.197735   3.803630   3.696367
    48  H    3.309442   2.764590   3.694470   3.261321   2.497779
    49  H    3.336636   2.764027   3.785597   2.671771   3.002928
                   46         47         48         49
    46  C    0.000000
    47  H    1.099087   0.000000
    48  H    1.103396   1.794137   0.000000
    49  H    1.102173   1.798620   1.788204   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2151719      0.1897801      0.1856507
 Leave Link  202 at Mon Nov 14 00:46:45 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1533761754 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843853858 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9689907897 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4048
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.11D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     230
 GePol: Fraction of low-weight points (<1% of avg)   =       5.68%
 GePol: Cavity surface area                          =    465.770 Ang**2
 GePol: Cavity volume                                =    457.906 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039377375 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9650530522 Hartrees.
 Leave Link  301 at Mon Nov 14 00:46:45 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:46:47 2016, MaxMem=  2952790016 cpu:        15.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:46:47 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000919    0.008921   -0.000107
         Rot=    0.999999   -0.000523    0.000185   -0.000869 Ang=  -0.12 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50910901207    
 Leave Link  401 at Mon Nov 14 00:46:54 2016, MaxMem=  2952790016 cpu:        79.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49158912.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.13D-14 for   2327.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.51D-15 for   2119   1091.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.04D-14 for   2327.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.18D-09 for   3009   1346.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.77D-15 for    176.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.24D-14 for   2119   1091.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.22D-15 for   2321.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.38D-16 for   2679    624.
 E= -1013.44684176927    
 DIIS: error= 1.24D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44684176927     IErMin= 1 ErrMin= 1.24D-03
 ErrMax= 1.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-03 BMatP= 2.32D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.24D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 GapD=    0.327 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.52D-04 MaxDP=1.42D-02              OVMax= 1.60D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.52D-04    CP:  1.00D+00
 E= -1013.45086799867     Delta-E=       -0.004026229395 Rises=F Damp=F
 DIIS: error= 1.56D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45086799867     IErMin= 2 ErrMin= 1.56D-04
 ErrMax= 1.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-05 BMatP= 2.32D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.56D-03
 Coeff-Com:  0.151D-01 0.985D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.151D-01 0.985D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.82D-05 MaxDP=2.59D-03 DE=-4.03D-03 OVMax= 2.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.70D-05    CP:  1.00D+00  9.64D-01
 E= -1013.45082411166     Delta-E=        0.000043887003 Rises=F Damp=F
 DIIS: error= 3.19D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45086799867     IErMin= 2 ErrMin= 1.56D-04
 ErrMax= 3.19D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.94D-05 BMatP= 3.11D-05
 IDIUse=3 WtCom= 3.59D-01 WtEn= 6.41D-01
 Coeff-Com:  0.141D-02 0.643D+00 0.356D+00
 Coeff-En:   0.000D+00 0.705D+00 0.295D+00
 Coeff:      0.506D-03 0.683D+00 0.317D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.56D-05 MaxDP=2.11D-03 DE= 4.39D-05 OVMax= 2.56D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.50D-05    CP:  1.00D+00  9.70D-01  4.43D-01
 E= -1013.45089126597     Delta-E=       -0.000067154306 Rises=F Damp=F
 DIIS: error= 1.02D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45089126597     IErMin= 4 ErrMin= 1.02D-04
 ErrMax= 1.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.58D-06 BMatP= 3.11D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.02D-03
 Coeff-Com: -0.159D-03 0.275D+00 0.205D+00 0.520D+00
 Coeff-En:   0.000D+00 0.000D+00 0.329D-01 0.967D+00
 Coeff:     -0.158D-03 0.275D+00 0.205D+00 0.520D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.46D-06 MaxDP=5.02D-04 DE=-6.72D-05 OVMax= 1.02D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.77D-06    CP:  1.00D+00  9.75D-01  4.62D-01  5.44D-01
 E= -1013.45089498530     Delta-E=       -0.000003719336 Rises=F Damp=F
 DIIS: error= 6.68D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45089498530     IErMin= 5 ErrMin= 6.68D-05
 ErrMax= 6.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-06 BMatP= 5.58D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.356D-04 0.150D+00 0.120D+00 0.371D+00 0.359D+00
 Coeff:     -0.356D-04 0.150D+00 0.120D+00 0.371D+00 0.359D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.74D-06 MaxDP=2.33D-04 DE=-3.72D-06 OVMax= 3.65D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.54D-06    CP:  1.00D+00  9.75D-01  4.51D-01  5.87D-01  5.53D-01
 E= -1013.45089618723     Delta-E=       -0.000001201921 Rises=F Damp=F
 DIIS: error= 2.50D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45089618723     IErMin= 6 ErrMin= 2.50D-06
 ErrMax= 2.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-09 BMatP= 1.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.245D-04 0.417D-01 0.344D-01 0.112D+00 0.129D+00 0.683D+00
 Coeff:     -0.245D-04 0.417D-01 0.344D-01 0.112D+00 0.129D+00 0.683D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.27D-07 MaxDP=1.32D-05 DE=-1.20D-06 OVMax= 1.87D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.96D-07    CP:  1.00D+00  9.75D-01  4.52D-01  5.89D-01  5.53D-01
                    CP:  9.23D-01
 E= -1013.45089619206     Delta-E=       -0.000000004829 Rises=F Damp=F
 DIIS: error= 9.68D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45089619206     IErMin= 7 ErrMin= 9.68D-07
 ErrMax= 9.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-09 BMatP= 6.31D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D-04 0.104D-01 0.896D-02 0.300D-01 0.398D-01 0.361D+00
 Coeff-Com:  0.550D+00
 Coeff:     -0.123D-04 0.104D-01 0.896D-02 0.300D-01 0.398D-01 0.361D+00
 Coeff:      0.550D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.08D-07 MaxDP=6.97D-06 DE=-4.83D-09 OVMax= 6.27D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.36D-08    CP:  1.00D+00  9.75D-01  4.52D-01  5.90D-01  5.54D-01
                    CP:  9.35D-01  7.83D-01
 E= -1013.45089619329     Delta-E=       -0.000000001233 Rises=F Damp=F
 DIIS: error= 1.69D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45089619329     IErMin= 8 ErrMin= 1.69D-07
 ErrMax= 1.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-11 BMatP= 1.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.391D-05 0.124D-02 0.123D-02 0.404D-02 0.697D-02 0.985D-01
 Coeff-Com:  0.242D+00 0.646D+00
 Coeff:     -0.391D-05 0.124D-02 0.123D-02 0.404D-02 0.697D-02 0.985D-01
 Coeff:      0.242D+00 0.646D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.50D-08 MaxDP=2.23D-06 DE=-1.23D-09 OVMax= 3.29D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.69D-08    CP:  1.00D+00  9.75D-01  4.52D-01  5.90D-01  5.55D-01
                    CP:  9.38D-01  7.86D-01  7.58D-01
 E= -1013.45089619346     Delta-E=       -0.000000000167 Rises=F Damp=F
 DIIS: error= 2.63D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45089619346     IErMin= 8 ErrMin= 1.69D-07
 ErrMax= 2.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-11 BMatP= 6.49D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.230D-05 0.406D-03 0.477D-03 0.151D-02 0.324D-02 0.558D-01
 Coeff-Com:  0.154D+00 0.489D+00 0.295D+00
 Coeff:     -0.230D-05 0.406D-03 0.477D-03 0.151D-02 0.324D-02 0.558D-01
 Coeff:      0.154D+00 0.489D+00 0.295D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.65D-08 MaxDP=1.43D-06 DE=-1.67D-10 OVMax= 2.21D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.08D-08    CP:  1.00D+00  9.75D-01  4.52D-01  5.90D-01  5.55D-01
                    CP:  9.39D-01  7.87D-01  7.70D-01  5.46D-01
 E= -1013.45089619336     Delta-E=        0.000000000100 Rises=F Damp=F
 DIIS: error= 3.70D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1013.45089619346     IErMin=10 ErrMin= 3.70D-08
 ErrMax= 3.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.62D-13 BMatP= 3.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.547D-06-0.464D-05 0.381D-04 0.904D-04 0.529D-03 0.128D-01
 Coeff-Com:  0.409D-01 0.148D+00 0.154D+00 0.644D+00
 Coeff:     -0.547D-06-0.464D-05 0.381D-04 0.904D-04 0.529D-03 0.128D-01
 Coeff:      0.409D-01 0.148D+00 0.154D+00 0.644D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.33D-09 MaxDP=1.78D-07 DE= 9.96D-11 OVMax= 3.00D-07

 Error on total polarization charges =  0.04265
 SCF Done:  E(RB97D) =  -1013.45089619     A.U. after   10 cycles
            NFock= 10  Conv=0.33D-08     -V/T= 2.0213
 KE= 9.923565992370D+02 PE=-6.027357145052D+03 EE= 2.173584596570D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.47
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:48:54 2016, MaxMem=  2952790016 cpu:      1388.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     363
 Leave Link  701 at Mon Nov 14 00:49:03 2016, MaxMem=  2952790016 cpu:       101.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:49:03 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:49:40 2016, MaxMem=  2952790016 cpu:       441.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.57221643D+00-2.77013207D+00 3.49371868D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000916042    0.000153031   -0.001627960
      2        6           0.000270590    0.000027133    0.000177055
      3        8          -0.000022234    0.000032763    0.000014769
      4        7           0.000015982   -0.000100091    0.000209333
      5        1           0.000010316    0.000157324   -0.000278686
      6        6           0.000035727   -0.000164284   -0.000197064
      7        1           0.000021342    0.000036283    0.000088283
      8        1           0.000109562   -0.000045139   -0.000038320
      9        1           0.000082960    0.000024953    0.000107078
     10        6           0.000020919   -0.000104552    0.000054133
     11        1           0.000005414   -0.000074092    0.000017359
     12        1           0.000039161    0.000041118   -0.000042254
     13        1           0.000024996    0.000034801    0.000004972
     14        6          -0.000096752    0.000013226    0.000034277
     15        8          -0.000013786    0.000011302   -0.000020981
     16        7          -0.000048407    0.000046417    0.000126355
     17        1          -0.000018581   -0.000038847   -0.000027558
     18        6          -0.000059242    0.000020067    0.000075328
     19        1          -0.000005987   -0.000016152    0.000004638
     20        1          -0.000018034    0.000005776   -0.000053471
     21        1           0.000005858    0.000011424   -0.000077990
     22        6          -0.000121373   -0.000019183   -0.000006783
     23        1           0.000013793   -0.000003676   -0.000016587
     24        1          -0.000072975    0.000025283   -0.000001984
     25        1           0.000013549    0.000042299   -0.000029055
     26        6          -0.000036262   -0.000049726    0.000116772
     27        8           0.000062175   -0.000015372    0.000033524
     28        7          -0.000029494   -0.000052830    0.000001990
     29        1          -0.000063562   -0.000011825   -0.000011153
     30        6          -0.000083001    0.000048555    0.000050789
     31        1          -0.000034543   -0.000085118   -0.000048696
     32        1           0.000026021    0.000010705    0.000006115
     33        1          -0.000004391   -0.000009395    0.000017689
     34        6          -0.000042263   -0.000019243    0.000018183
     35        1          -0.000022633   -0.000002429    0.000008305
     36        1          -0.000043687   -0.000022171   -0.000021974
     37        1           0.000013554   -0.000065517    0.000037238
     38        6           0.000075715   -0.000102259    0.000288137
     39        8          -0.000564115    0.000398986   -0.000133222
     40        7          -0.000083357   -0.000416645   -0.000074678
     41        1           0.000137285   -0.000203660   -0.000033484
     42        6          -0.000395006    0.000076079    0.001152117
     43        1           0.000029549   -0.000165261   -0.000162129
     44        1           0.000228556    0.000200516   -0.000210256
     45        1          -0.000290282    0.000033607    0.000292127
     46        6           0.000311237   -0.000021984    0.000167077
     47        1          -0.000023564    0.000047216   -0.000125514
     48        1          -0.000054691    0.000380188    0.000126494
     49        1          -0.000222084   -0.000069601    0.000009659
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001627960 RMS     0.000219986
 Leave Link  716 at Mon Nov 14 00:49:40 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000408736 RMS     0.000050714
 Search for a local minimum.
 Step number  12 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .50714D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   10   11   12
 DE= -7.35D-05 DEPred=-3.63D-05 R= 2.02D+00
 TightC=F SS=  1.41D+00  RLast= 4.45D-01 DXNew= 1.4968D+00 1.3346D+00
 Trust test= 2.02D+00 RLast= 4.45D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00052   0.00299   0.00349   0.00376   0.00391
     Eigenvalues ---    0.00455   0.00548   0.00694   0.00762   0.00771
     Eigenvalues ---    0.00876   0.00903   0.00972   0.01018   0.01024
     Eigenvalues ---    0.01054   0.01183   0.01207   0.01273   0.01318
     Eigenvalues ---    0.01356   0.01393   0.01463   0.01523   0.01532
     Eigenvalues ---    0.01591   0.01745   0.01778   0.01839   0.01866
     Eigenvalues ---    0.01898   0.01948   0.02048   0.02125   0.02144
     Eigenvalues ---    0.02197   0.02203   0.02332   0.02713   0.02867
     Eigenvalues ---    0.02901   0.03372   0.03646   0.04106   0.04239
     Eigenvalues ---    0.04347   0.04912   0.05154   0.05379   0.05654
     Eigenvalues ---    0.05764   0.06068   0.06090   0.06273   0.06823
     Eigenvalues ---    0.07252   0.07608   0.07733   0.07765   0.07896
     Eigenvalues ---    0.07982   0.08121   0.08428   0.08460   0.08487
     Eigenvalues ---    0.08566   0.08683   0.08789   0.08900   0.09039
     Eigenvalues ---    0.09144   0.09578   0.09739   0.09888   0.09997
     Eigenvalues ---    0.10037   0.10102   0.10313   0.10524   0.10546
     Eigenvalues ---    0.10588   0.10652   0.10729   0.11319   0.11420
     Eigenvalues ---    0.11541   0.11615   0.11874   0.12761   0.13328
     Eigenvalues ---    0.13614   0.14340   0.14688   0.15288   0.15488
     Eigenvalues ---    0.15738   0.16507   0.22049   0.23257   0.23693
     Eigenvalues ---    0.23968   0.24577   0.25122   0.25780   0.26577
     Eigenvalues ---    0.26946   0.27842   0.27967   0.29289   0.29781
     Eigenvalues ---    0.29915   0.29954   0.32721   0.32734   0.32821
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33414   0.33417   0.33425   0.33453   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33831   0.33901   0.33915
     Eigenvalues ---    0.33946   0.33999   0.34156   0.37150   0.39453
     Eigenvalues ---    0.40640   0.41471   0.85943   0.85986   0.86094
     Eigenvalues ---    0.86855
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    12   11   10    9    8
 RFO step:  Lambda=-8.24808440D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  6.83D-05 SmlDif=  1.00D-05
 RMS Error=  0.2126434138D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.16249   -1.29182    0.38003    0.85276   -0.10347
 Iteration  1 RMS(Cart)=  0.00771969 RMS(Int)=  0.00029251
 Iteration  2 RMS(Cart)=  0.00013488 RMS(Int)=  0.00024305
 Iteration  3 RMS(Cart)=  0.00000007 RMS(Int)=  0.00024305
 ITry= 1 IFail=0 DXMaxC= 1.05D-01 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.66189   0.00008   0.01496  -0.00122   0.01372   6.67562
    R2        6.22977  -0.00001  -0.00295  -0.00021  -0.00318   6.22659
    R3        7.01632   0.00001  -0.00744  -0.00023  -0.00764   7.00868
    R4        6.06093   0.00001  -0.00597  -0.00087  -0.00687   6.05405
    R5        6.60059  -0.00007  -0.00121  -0.00028  -0.00150   6.59909
    R6        5.96264  -0.00006  -0.00128  -0.00124  -0.00252   5.96012
    R7        6.72145  -0.00001  -0.00014   0.00048   0.00034   6.72179
    R8        6.22646  -0.00001  -0.00028   0.00041   0.00015   6.22661
    R9        6.63029   0.00001   0.00175   0.00043   0.00220   6.63249
   R10        6.05754   0.00000  -0.00176   0.00254   0.00078   6.05832
   R11        6.98396   0.00000  -0.00117   0.00080  -0.00037   6.98359
   R12        6.03384   0.00002  -0.00050   0.00142   0.00093   6.03477
   R13        6.93064  -0.00006  -0.00286   0.00017  -0.00266   6.92798
   R14        6.19803  -0.00002  -0.00105  -0.00007  -0.00106   6.19697
   R15        6.87717  -0.00005  -0.00481  -0.00006  -0.00477   6.87239
   R16        5.96459  -0.00001  -0.00368  -0.00075  -0.00446   5.96013
   R17        6.67250   0.00004   0.00530  -0.00034   0.00498   6.67748
   R18        6.61835   0.00016   0.00622   0.00919   0.01500   6.63334
   R19        6.21718   0.00012  -0.00067   0.00556   0.00569   6.22288
   R20        6.73804   0.00041   0.03834   0.00247   0.04185   6.77989
   R21        5.95617   0.00026   0.02311   0.00720   0.02888   5.98505
   R22        6.88134  -0.00003  -0.01740   0.00911  -0.00580   6.87554
   R23        5.89401   0.00010   0.03488   0.00619   0.03943   5.93344
   R24        2.34833   0.00001   0.00002   0.00001   0.00003   2.34837
   R25        2.57347  -0.00006  -0.00022  -0.00002  -0.00017   2.57331
   R26        2.09400   0.00005   0.00028   0.00000   0.00028   2.09429
   R27        2.76691  -0.00007  -0.00037  -0.00015  -0.00052   2.76639
   R28        2.76769  -0.00001  -0.00014  -0.00011  -0.00019   2.76750
   R29        2.07598   0.00002   0.00000   0.00004   0.00004   2.07602
   R30        2.08297   0.00000  -0.00022   0.00002  -0.00023   2.08274
   R31        2.08291   0.00002   0.00012   0.00000   0.00012   2.08303
   R32        2.08059  -0.00004  -0.00022   0.00006  -0.00016   2.08043
   R33        2.07477  -0.00001  -0.00005  -0.00001  -0.00006   2.07470
   R34        2.08368   0.00001   0.00011   0.00001   0.00012   2.08379
   R35        2.34877   0.00001  -0.00002   0.00002   0.00000   2.34876
   R36        2.57142   0.00001  -0.00005  -0.00001  -0.00009   2.57133
   R37        2.09357   0.00001   0.00001   0.00003   0.00004   2.09360
   R38        2.76889  -0.00002  -0.00012   0.00005  -0.00008   2.76881
   R39        2.76465   0.00009   0.00002   0.00005  -0.00005   2.76461
   R40        2.08161  -0.00002  -0.00007   0.00006  -0.00001   2.08160
   R41        2.08390   0.00001   0.00002   0.00001   0.00003   2.08393
   R42        2.07510  -0.00003  -0.00010  -0.00007  -0.00016   2.07493
   R43        2.08316   0.00000   0.00000   0.00000   0.00000   2.08316
   R44        2.08352   0.00003   0.00007   0.00002   0.00022   2.08374
   R45        2.07669   0.00001  -0.00001   0.00002   0.00001   2.07670
   R46        2.34813   0.00000  -0.00003   0.00001  -0.00002   2.34810
   R47        2.57152  -0.00002  -0.00001  -0.00007  -0.00013   2.57139
   R48        2.09360   0.00001   0.00003   0.00000   0.00004   2.09364
   R49        2.76520  -0.00001  -0.00004  -0.00009  -0.00024   2.76496
   R50        2.76945   0.00000  -0.00017  -0.00001  -0.00025   2.76920
   R51        2.08452   0.00000   0.00001  -0.00001   0.00000   2.08452
   R52        2.08162  -0.00006  -0.00006  -0.00015  -0.00055   2.08107
   R53        2.07610   0.00000  -0.00003   0.00002  -0.00001   2.07609
   R54        2.08519  -0.00001   0.00002  -0.00003  -0.00002   2.08518
   R55        2.07420   0.00000  -0.00009   0.00000  -0.00009   2.07411
   R56        2.07802   0.00001   0.00009   0.00000   0.00010   2.07812
   R57        2.34661   0.00039  -0.00006   0.00054   0.00048   2.34709
   R58        2.57275   0.00004  -0.00029   0.00091   0.00054   2.57329
   R59        2.09526   0.00005   0.00033   0.00009   0.00042   2.09568
   R60        2.76710   0.00005  -0.00004   0.00131   0.00059   2.76769
   R61        2.76485  -0.00008  -0.00010   0.00038  -0.00023   2.76462
   R62        2.07151   0.00009   0.00006   0.00014   0.00020   2.07171
   R63        2.08424  -0.00002   0.00000   0.00005   0.00005   2.08429
   R64        2.08136  -0.00001   0.00042   0.00010  -0.00007   2.08130
   R65        2.07697  -0.00004  -0.00001  -0.00008  -0.00009   2.07689
   R66        2.08512  -0.00020  -0.00216   0.00092  -0.00293   2.08219
   R67        2.08280  -0.00003   0.00034  -0.00030   0.00005   2.08285
    A1        0.69394  -0.00002  -0.00022   0.00006  -0.00013   0.69381
    A2        0.97857  -0.00002   0.00007   0.00004   0.00015   0.97872
    A3        0.71860  -0.00001  -0.00088   0.00009  -0.00075   0.71785
    A4        1.01310  -0.00002  -0.00086   0.00013  -0.00069   1.01241
    A5        2.30260   0.00001   0.00076   0.00025   0.00100   2.30360
    A6        1.98055   0.00002   0.00044   0.00040   0.00082   1.98137
    A7        1.93766   0.00003  -0.00017   0.00055   0.00034   1.93800
    A8        1.64352   0.00003   0.00005   0.00041   0.00041   1.64393
    A9        1.61414   0.00000   0.00057   0.00035   0.00093   1.61506
   A10        1.33173  -0.00001   0.00049   0.00040   0.00087   1.33260
   A11        1.74690  -0.00003  -0.00051   0.00000  -0.00046   1.74644
   A12        2.04032  -0.00003  -0.00032   0.00004  -0.00023   2.04009
   A13        1.93100  -0.00004  -0.00042   0.00014  -0.00023   1.93077
   A14        2.00874  -0.00004   0.00045   0.00001   0.00048   2.00922
   A15        2.44221  -0.00003  -0.00061  -0.00001  -0.00058   2.44163
   A16        1.52599   0.00006  -0.00548   0.00170  -0.00386   1.52213
   A17        1.76555   0.00005  -0.00335   0.00102  -0.00226   1.76329
   A18        1.59631   0.00006   0.00141   0.00076   0.00212   1.59843
   A19        1.71417   0.00005  -0.00359   0.00169  -0.00183   1.71234
   A20        2.17735   0.00004  -0.00273   0.00050  -0.00222   2.17513
   A21        2.41889  -0.00002  -0.00760   0.00032  -0.00690   2.41199
   A22        0.65981  -0.00001   0.00023   0.00002   0.00025   0.66006
   A23        0.66282   0.00000   0.00013   0.00006   0.00020   0.66303
   A24        2.37749   0.00001   0.00115  -0.00006   0.00110   2.37859
   A25        2.19039   0.00001   0.00030   0.00024   0.00055   2.19094
   A26        2.28295   0.00002  -0.00079   0.00051  -0.00028   2.28267
   A27        2.01531   0.00002  -0.00069   0.00038  -0.00032   2.01499
   A28        1.78555   0.00000   0.00029   0.00027   0.00057   1.78613
   A29        1.53708  -0.00001   0.00012   0.00043   0.00055   1.53762
   A30        1.35244  -0.00002   0.00036  -0.00005   0.00032   1.35276
   A31        1.64800  -0.00002   0.00063  -0.00006   0.00058   1.64858
   A32        1.59577  -0.00003   0.00060  -0.00004   0.00058   1.59635
   A33        1.74482  -0.00003   0.00140  -0.00021   0.00117   1.74599
   A34        2.04601  -0.00002   0.00028  -0.00007   0.00022   2.04622
   A35        1.73722   0.00007  -0.00800   0.00210  -0.00595   1.73127
   A36        1.84494   0.00006  -0.00507   0.00148  -0.00351   1.84143
   A37        1.53868   0.00007  -0.00003   0.00124   0.00111   1.53979
   A38        1.54403   0.00008  -0.00402   0.00214  -0.00184   1.54219
   A39        2.23283   0.00004  -0.00261   0.00088  -0.00162   2.23120
   A40        2.35942  -0.00003  -0.01109   0.00087  -0.01019   2.34923
   A41        0.70414  -0.00001   0.00047  -0.00006   0.00042   0.70456
   A42        0.77229  -0.00001   0.00041   0.00002   0.00044   0.77273
   A43        2.67790  -0.00001   0.00153  -0.00037   0.00117   2.67906
   A44        2.59137   0.00000   0.00078   0.00019   0.00097   2.59234
   A45        2.62679   0.00001  -0.00052   0.00065   0.00012   2.62692
   A46        2.31803   0.00001  -0.00040   0.00059   0.00018   2.31821
   A47        2.18539  -0.00002   0.00071   0.00023   0.00096   2.18635
   A48        1.94103  -0.00002   0.00059   0.00042   0.00100   1.94203
   A49        1.12421  -0.00002   0.00015  -0.00024  -0.00008   1.12413
   A50        1.48401  -0.00002   0.00044  -0.00028   0.00018   1.48419
   A51        1.59256  -0.00004   0.00072  -0.00028   0.00044   1.59301
   A52        1.82898  -0.00004   0.00148  -0.00043   0.00100   1.82999
   A53        1.80276  -0.00001   0.00001  -0.00028  -0.00025   1.80250
   A54        1.54618   0.00008  -0.00911   0.00226  -0.00691   1.53927
   A55        1.53102   0.00007  -0.00580   0.00167  -0.00406   1.52696
   A56        1.16995   0.00009  -0.00101   0.00141   0.00030   1.17025
   A57        1.14229   0.00009  -0.00451   0.00220  -0.00228   1.14002
   A58        1.87499   0.00005  -0.00253   0.00099  -0.00139   1.87360
   A59        1.96093  -0.00002  -0.01172   0.00094  -0.01079   1.95014
   A60        0.84338  -0.00001  -0.00055   0.00003  -0.00051   0.84287
   A61        0.78873   0.00000  -0.00096   0.00014  -0.00082   0.78791
   A62        2.60964  -0.00001  -0.00050  -0.00047  -0.00096   2.60868
   A63        2.75724   0.00000  -0.00052  -0.00001  -0.00053   2.75671
   A64        2.59064   0.00001   0.00045   0.00059   0.00103   2.59167
   A65        2.37894  -0.00001  -0.00051   0.00021  -0.00027   2.37866
   A66        2.17484  -0.00002  -0.00022   0.00046   0.00025   2.17510
   A67        0.87371  -0.00001  -0.00094  -0.00022  -0.00115   0.87256
   A68        1.24762  -0.00001  -0.00077  -0.00025  -0.00102   1.24660
   A69        1.43427  -0.00003  -0.00077  -0.00026  -0.00104   1.43323
   A70        1.70609  -0.00004  -0.00024  -0.00038  -0.00068   1.70541
   A71        1.52950  -0.00001  -0.00077  -0.00025  -0.00102   1.52848
   A72        1.56983   0.00007  -0.00741   0.00202  -0.00545   1.56438
   A73        1.44453   0.00007  -0.00438   0.00159  -0.00273   1.44179
   A74        1.03717   0.00009  -0.00059   0.00146   0.00077   1.03794
   A75        0.93297   0.00010  -0.00362   0.00225  -0.00136   0.93161
   A76        1.71861   0.00004  -0.00073   0.00094   0.00036   1.71897
   A77        1.74237  -0.00002  -0.01117   0.00097  -0.01027   1.73210
   A78        1.99260   0.00000   0.00115  -0.00018   0.00096   1.99356
   A79        1.92469   0.00000   0.00033   0.00006   0.00039   1.92508
   A80        2.19678   0.00001  -0.00055   0.00026  -0.00030   2.19648
   A81        2.04677   0.00001  -0.00058   0.00009  -0.00050   2.04627
   A82        1.53563   0.00000   0.00002   0.00018   0.00020   1.53584
   A83        1.35650  -0.00001  -0.00017   0.00043   0.00024   1.35674
   A84        1.18438  -0.00001   0.00029   0.00010   0.00040   1.18478
   A85        1.37285  -0.00001   0.00055   0.00007   0.00063   1.37348
   A86        1.21256  -0.00003   0.00045   0.00004   0.00051   1.21307
   A87        1.32321  -0.00003   0.00130  -0.00017   0.00110   1.32431
   A88        1.80027  -0.00002   0.00020   0.00009   0.00029   1.80056
   A89        2.16823   0.00007  -0.00797   0.00211  -0.00588   2.16235
   A90        2.23385   0.00006  -0.00531   0.00159  -0.00363   2.23022
   A91        1.86501   0.00008  -0.00089   0.00143   0.00045   1.86546
   A92        1.77114   0.00009  -0.00396   0.00229  -0.00164   1.76950
   A93        2.56151   0.00004  -0.00148   0.00097  -0.00031   2.56120
   A94        2.53867  -0.00003  -0.01065   0.00107  -0.00969   2.52898
   A95        1.90782   0.00000   0.00107  -0.00044   0.00063   1.90845
   A96        1.97220   0.00000   0.00029  -0.00022   0.00007   1.97228
   A97        2.34269   0.00000  -0.00035  -0.00007  -0.00043   2.34227
   A98        2.28609   0.00000  -0.00051  -0.00015  -0.00067   2.28542
   A99        1.63837   0.00000  -0.00023  -0.00002  -0.00024   1.63813
   A100       1.52942   0.00000  -0.00038   0.00029  -0.00010   1.52932
   A101       0.88232  -0.00001   0.00027   0.00017   0.00046   0.88277
   A102       1.05650  -0.00001   0.00052   0.00006   0.00059   1.05709
   A103       0.93351  -0.00003   0.00047  -0.00008   0.00039   0.93390
   A104       1.09785  -0.00003   0.00127  -0.00035   0.00088   1.09873
   A105       1.48366  -0.00001   0.00018   0.00008   0.00026   1.48392
   A106       2.31844   0.00007  -0.00871   0.00228  -0.00647   2.31197
   A107       2.22937   0.00006  -0.00519   0.00171  -0.00340   2.22597
   A108       1.81137   0.00008  -0.00178   0.00162  -0.00025   1.81112
   A109       1.63383   0.00010  -0.00353   0.00229  -0.00122   1.63261
   A110       2.41750   0.00002   0.00007   0.00096   0.00126   2.41876
   A111       2.28741  -0.00002  -0.00903   0.00108  -0.00807   2.27934
   A112       0.71335   0.00000  -0.00009  -0.00004  -0.00013   0.71322
   A113       1.00513  -0.00001  -0.00004  -0.00014  -0.00017   1.00496
   A114       0.69309   0.00002   0.00010  -0.00006   0.00001   0.69310
   A115       0.97923   0.00003   0.00018  -0.00006   0.00011   0.97934
   A116       1.79112   0.00001   0.00029  -0.00022   0.00005   1.79117
   A117       1.41443   0.00001   0.00008  -0.00020  -0.00013   1.41430
   A118       1.17745   0.00002   0.00021  -0.00021   0.00001   1.17746
   A119       0.90371   0.00003  -0.00025  -0.00008  -0.00026   0.90345
   A120       1.24591   0.00000  -0.00018  -0.00010  -0.00028   1.24563
   A121       2.05616  -0.00007   0.00768  -0.00182   0.00590   2.06206
   A122       2.05300  -0.00006   0.00405  -0.00141   0.00257   2.05556
   A123       2.35574  -0.00008  -0.00148  -0.00115  -0.00254   2.35320
   A124       2.26514  -0.00006   0.00273  -0.00189   0.00079   2.26593
   A125       1.67278  -0.00004   0.00148  -0.00082   0.00056   1.67333
   A126       1.51371   0.00002   0.00905  -0.00075   0.00819   1.52190
   A127       0.65688  -0.00001   0.00009  -0.00020  -0.00010   0.65678
   A128       0.66139   0.00002   0.00003  -0.00009  -0.00006   0.66133
   A129       2.14462   0.00001   0.00002  -0.00014  -0.00013   2.14449
   A130       1.77877   0.00001  -0.00017  -0.00013  -0.00030   1.77847
   A131       1.47811   0.00002  -0.00031  -0.00007  -0.00037   1.47774
   A132       1.18586   0.00003  -0.00063   0.00001  -0.00055   1.18531
   A133       1.63839   0.00000  -0.00017  -0.00013  -0.00031   1.63809
   A134       1.91680  -0.00007   0.00791  -0.00161   0.00635   1.92315
   A135       2.08047  -0.00006   0.00495  -0.00153   0.00335   2.08382
   A136       2.48796  -0.00009   0.00093  -0.00147  -0.00044   2.48752
   A137       2.54876  -0.00009   0.00372  -0.00239   0.00129   2.55005
   A138       1.79607  -0.00004   0.00127  -0.00104   0.00007   1.79615
   A139       1.73087   0.00002   0.01093  -0.00113   0.00981   1.74067
   A140       0.70470   0.00000  -0.00007  -0.00007  -0.00015   0.70455
   A141       0.84095   0.00001  -0.00032  -0.00019  -0.00051   0.84044
   A142       2.49212   0.00000   0.00043  -0.00036   0.00007   2.49219
   A143       2.11441   0.00000   0.00023  -0.00032  -0.00010   2.11432
   A144       1.88215   0.00002  -0.00013  -0.00018  -0.00029   1.88186
   A145       1.59593   0.00002  -0.00059  -0.00006  -0.00057   1.59536
   A146       1.84706   0.00000   0.00056  -0.00038   0.00018   1.84725
   A147       1.48972  -0.00006   0.00797  -0.00155   0.00648   1.49619
   A148       1.69824  -0.00006   0.00514  -0.00146   0.00364   1.70188
   A149       2.12117  -0.00008   0.00231  -0.00143   0.00097   2.12213
   A150       2.30058  -0.00010   0.00413  -0.00238   0.00177   2.30235
   A151       1.50220  -0.00003   0.00106  -0.00109  -0.00021   1.50199
   A152       1.53850   0.00002   0.01173  -0.00137   0.01049   1.54899
   A153       0.76424  -0.00002   0.00038  -0.00039  -0.00001   0.76423
   A154       0.77553  -0.00001   0.00012  -0.00058  -0.00046   0.77507
   A155       2.79603   0.00000   0.00021  -0.00036  -0.00015   2.79589
   A156       2.41926   0.00000   0.00006  -0.00034  -0.00028   2.41897
   A157       2.13171   0.00001  -0.00030  -0.00026  -0.00054   2.13117
   A158       1.83855   0.00001  -0.00056  -0.00020  -0.00068   1.83786
   A159       2.16160   0.00000   0.00039  -0.00032   0.00008   2.16167
   A160       1.34878  -0.00004   0.00681  -0.00091   0.00593   1.35471
   A161       1.64899  -0.00004   0.00430  -0.00092   0.00337   1.65236
   A162       2.05206  -0.00005   0.00296  -0.00090   0.00214   2.05421
   A163       2.31240  -0.00008   0.00295  -0.00153   0.00151   2.31392
   A164       1.57545  -0.00002   0.00003  -0.00070  -0.00084   1.57461
   A165       1.69358   0.00002   0.01058  -0.00110   0.00969   1.70327
   A166       2.11653   0.00002  -0.00060   0.00019  -0.00043   2.11610
   A167       1.82736   0.00002  -0.00075   0.00016  -0.00061   1.82675
   A168       1.43874   0.00002  -0.00102   0.00020  -0.00081   1.43793
   A169       1.16242   0.00003  -0.00100   0.00017  -0.00077   1.16165
   A170       1.85066   0.00002  -0.00078   0.00010  -0.00070   1.84996
   A171       2.11077  -0.00006   0.00684  -0.00120   0.00575   2.11652
   A172       2.39506  -0.00006   0.00499  -0.00147   0.00349   2.39855
   A173       2.81355  -0.00007   0.00300  -0.00138   0.00172   2.81526
   A174       2.18486  -0.00003   0.00122  -0.00113  -0.00009   2.18477
   A175       2.13678   0.00004   0.01095  -0.00116   0.00980   2.14658
   A176       2.20544   0.00002  -0.00055   0.00054  -0.00002   2.20542
   A177       1.99694   0.00002  -0.00066   0.00044  -0.00022   1.99673
   A178       1.58574   0.00002  -0.00097   0.00047  -0.00048   1.58526
   A179       1.34078   0.00003  -0.00075   0.00035  -0.00033   1.34045
   A180       2.10455   0.00002  -0.00074   0.00028  -0.00046   2.10410
   A181       2.03278  -0.00004   0.00477  -0.00084   0.00406   2.03684
   A182       2.39826  -0.00004   0.00373  -0.00126   0.00254   2.40079
   A183       2.71768  -0.00003   0.00387  -0.00067   0.00325   2.72092
   A184       2.33473  -0.00002   0.00049  -0.00129  -0.00097   2.33376
   A185       2.36580   0.00004   0.01141  -0.00144   0.01005   2.37585
   A186       0.68812  -0.00001   0.00039  -0.00003   0.00033   0.68845
   A187       0.97839  -0.00001   0.00055  -0.00007   0.00039   0.97878
   A188       0.69728   0.00000  -0.00007  -0.00003  -0.00012   0.69716
   A189       2.03822   0.00003  -0.00523   0.00058  -0.00458   2.03364
   A190       1.67800   0.00003  -0.00304   0.00062  -0.00240   1.67561
   A191       1.32594   0.00003  -0.00316   0.00075  -0.00247   1.32347
   A192       1.02926   0.00006  -0.00159   0.00094  -0.00072   1.02853
   A193       1.61934   0.00001   0.00127   0.00036   0.00181   1.62114
   A194       1.41872  -0.00002  -0.00784   0.00076  -0.00736   1.41136
   A195       0.66611  -0.00001   0.00022   0.00001   0.00015   0.66626
   A196       2.22403   0.00001  -0.00235  -0.00026  -0.00243   2.22160
   A197       1.82636   0.00001  -0.00141   0.00008  -0.00134   1.82502
   A198       1.56725   0.00001  -0.00323   0.00036  -0.00291   1.56434
   A199       1.26223   0.00004  -0.00028   0.00021  -0.00014   1.26209
   A200       1.62342   0.00000   0.00210   0.00001   0.00224   1.62565
   A201       1.35992   0.00000  -0.00429   0.00047  -0.00418   1.35574
   A202       0.71105   0.00001  -0.00003   0.00004  -0.00002   0.71103
   A203       2.62941   0.00001  -0.00124  -0.00054  -0.00137   2.62805
   A204       2.23084   0.00001  -0.00066  -0.00008  -0.00072   2.23012
   A205       1.97605   0.00002  -0.00291   0.00043  -0.00255   1.97350
   A206       1.67038   0.00005  -0.00027   0.00035   0.00002   1.67040
   A207       1.97023   0.00000   0.00278  -0.00021   0.00265   1.97288
   A208       1.68569   0.00002  -0.00130   0.00023  -0.00137   1.68432
   A209       0.83484   0.00000  -0.00046   0.00017  -0.00035   0.83449
   A210       2.73517  -0.00002   0.00304  -0.00145   0.00198   2.73715
   A211       2.38398  -0.00001   0.00043  -0.00045  -0.00005   2.38393
   A212       2.22445   0.00000  -0.00313   0.00025  -0.00298   2.22147
   A213       1.92298   0.00003   0.00015   0.00006   0.00008   1.92306
   A214       2.03379  -0.00001   0.00233  -0.00030   0.00205   2.03584
   A215       1.74639   0.00002   0.00126   0.00011   0.00108   1.74746
   A216       1.93845  -0.00001   0.00108  -0.00105   0.00015   1.93860
   A217       1.55409   0.00000   0.00056  -0.00049   0.00003   1.55412
   A218       1.43499  -0.00002  -0.00280  -0.00025  -0.00305   1.43194
   A219       1.16514   0.00000   0.00157  -0.00083   0.00067   1.16581
   A220       1.25920  -0.00001   0.00281  -0.00024   0.00267   1.26187
   A221       0.97617   0.00000  -0.00153   0.00024  -0.00180   0.97437
   A222       0.71440   0.00000  -0.00237  -0.00009  -0.00261   0.71178
   A223       1.00921  -0.00003  -0.00355  -0.00036  -0.00377   1.00544
   A224       0.70326  -0.00001   0.00053  -0.00103  -0.00070   0.70257
   A225       0.99206  -0.00004   0.00150  -0.00143   0.00067   0.99273
   A226       0.66573  -0.00004  -0.00141  -0.00051  -0.00183   0.66390
   A227       0.66989  -0.00005  -0.00200  -0.00076  -0.00259   0.66730
   A228       0.70505  -0.00004  -0.00143  -0.00042  -0.00171   0.70335
   A229       0.84284  -0.00010  -0.01045  -0.00039  -0.01064   0.83220
   A230       0.79940  -0.00006   0.00304  -0.00132   0.00191   0.80131
   A231       0.81930  -0.00011  -0.00724  -0.00127  -0.00858   0.81071
   A232       1.67955  -0.00002   0.00425  -0.00069   0.00357   1.68312
   A233       1.79809   0.00022   0.00352   0.00093   0.00444   1.80254
   A234       2.19170  -0.00001   0.00006   0.00003   0.00006   2.19176
   A235       2.12984  -0.00006  -0.00043  -0.00014  -0.00053   2.12931
   A236       1.96135   0.00008   0.00041   0.00012   0.00053   1.96188
   A237       2.12273   0.00001   0.00026   0.00009   0.00033   2.12306
   A238       2.12253  -0.00001  -0.00004   0.00012   0.00014   2.12267
   A239       2.03708   0.00000  -0.00001  -0.00022  -0.00023   2.03686
   A240       1.75118   0.00002  -0.00490   0.00058  -0.00432   1.74686
   A241       2.61526  -0.00004   0.00419  -0.00069   0.00351   2.61877
   A242       1.91155   0.00000   0.00028   0.00019   0.00047   1.91202
   A243       1.91449   0.00000  -0.00072  -0.00004  -0.00075   1.91374
   A244       1.92197   0.00000   0.00118   0.00009   0.00131   1.92328
   A245       1.90929   0.00000  -0.00042  -0.00009  -0.00051   1.90878
   A246       1.91004   0.00002   0.00036   0.00005   0.00039   1.91043
   A247       1.89639  -0.00002  -0.00070  -0.00020  -0.00094   1.89544
   A248       1.36396   0.00003   0.00117   0.00063   0.00178   1.36575
   A249       1.90824   0.00001  -0.00030   0.00001  -0.00032   1.90793
   A250       1.90755   0.00003   0.00029  -0.00004   0.00027   1.90781
   A251       1.92968  -0.00003  -0.00009  -0.00018  -0.00027   1.92941
   A252       1.90968   0.00002   0.00042   0.00015   0.00058   1.91026
   A253       1.89530   0.00000   0.00000   0.00000   0.00000   1.89530
   A254       1.91325  -0.00002  -0.00032   0.00007  -0.00026   1.91300
   A255       1.71620  -0.00001  -0.00011  -0.00013  -0.00024   1.71596
   A256       1.78198   0.00001   0.00014   0.00024   0.00038   1.78236
   A257       2.19000  -0.00002   0.00001   0.00001   0.00002   2.19002
   A258       2.13021   0.00000  -0.00001   0.00000   0.00000   2.13021
   A259       1.96279   0.00002  -0.00001  -0.00001  -0.00002   1.96276
   A260       2.12233   0.00000   0.00010   0.00002   0.00014   2.12247
   A261       2.12435   0.00003   0.00013   0.00004   0.00013   2.12448
   A262       2.03645  -0.00003  -0.00023  -0.00006  -0.00026   2.03619
   A263       1.33643  -0.00002   0.00278  -0.00146   0.00131   1.33774
   A264       1.89997  -0.00003   0.00008  -0.00027  -0.00016   1.89981
   A265       1.93200   0.00001  -0.00019   0.00012  -0.00008   1.93191
   A266       1.90990  -0.00001   0.00002  -0.00008  -0.00008   1.90983
   A267       1.89852   0.00000  -0.00010   0.00013   0.00003   1.89855
   A268       1.91267   0.00002   0.00016   0.00002   0.00018   1.91285
   A269       1.91065   0.00002   0.00004   0.00007   0.00011   1.91076
   A270       2.63193   0.00002   0.00121   0.00035   0.00156   2.63349
   A271       1.73271  -0.00002  -0.00128  -0.00033  -0.00160   1.73110
   A272       1.92318   0.00001  -0.00007  -0.00006  -0.00016   1.92303
   A273       1.91584   0.00003  -0.00010  -0.00004  -0.00011   1.91572
   A274       1.91407  -0.00002   0.00004   0.00011   0.00018   1.91425
   A275       1.89441   0.00001   0.00015  -0.00003   0.00010   1.89451
   A276       1.91030   0.00000   0.00007   0.00001   0.00008   1.91038
   A277       1.90583  -0.00003  -0.00009   0.00001  -0.00009   1.90574
   A278       1.81785   0.00005   0.00205  -0.00026   0.00177   1.81962
   A279       1.75810  -0.00007  -0.00300   0.00022  -0.00276   1.75533
   A280       2.18897   0.00002   0.00014   0.00000   0.00014   2.18911
   A281       2.13062   0.00001  -0.00001  -0.00009  -0.00011   2.13051
   A282       1.96353  -0.00002  -0.00012   0.00009  -0.00003   1.96350
   A283       2.12104  -0.00003  -0.00001  -0.00002  -0.00003   2.12100
   A284       2.11480  -0.00001   0.00014  -0.00013   0.00001   2.11481
   A285       2.04287   0.00004  -0.00014   0.00015   0.00001   2.04289
   A286       2.69663   0.00002   0.00228  -0.00075   0.00151   2.69814
   A287       1.66294  -0.00002  -0.00247   0.00070  -0.00176   1.66118
   A288       1.92598  -0.00001   0.00045   0.00001   0.00048   1.92646
   A289       1.91461  -0.00001  -0.00006   0.00001  -0.00011   1.91449
   A290       1.91178   0.00001   0.00008   0.00004   0.00014   1.91192
   A291       1.89199   0.00000  -0.00041  -0.00014  -0.00050   1.89150
   A292       1.91267   0.00000  -0.00008   0.00001  -0.00007   1.91259
   A293       1.90661   0.00001   0.00001   0.00006   0.00006   1.90667
   A294       1.33838  -0.00002   0.00473  -0.00176   0.00296   1.34134
   A295       1.15779   0.00005  -0.00203   0.00148  -0.00057   1.15722
   A296       1.93377   0.00000  -0.00006  -0.00009  -0.00019   1.93358
   A297       1.90769  -0.00001  -0.00004  -0.00017  -0.00021   1.90748
   A298       1.90011   0.00001   0.00021  -0.00003   0.00027   1.90038
   A299       1.90959   0.00001  -0.00002  -0.00005  -0.00007   1.90952
   A300       1.89925  -0.00002  -0.00014   0.00023   0.00008   1.89933
   A301       1.91332   0.00001   0.00005   0.00012   0.00013   1.91345
   A302       1.71496   0.00040   0.02392  -0.00297   0.02038   1.73534
   A303       1.75140  -0.00022  -0.02545   0.00491  -0.02063   1.73077
   A304       2.19461   0.00014   0.00091   0.00106   0.00272   2.19733
   A305       2.12851  -0.00007   0.00046  -0.00081  -0.00160   2.12692
   A306       1.95988  -0.00006  -0.00139  -0.00025  -0.00115   1.95873
   A307       2.12941   0.00007   0.00151   0.00111   0.00242   2.13183
   A308       2.11924   0.00002  -0.00057  -0.00105  -0.00192   2.11732
   A309       2.03344  -0.00009  -0.00049   0.00004   0.00008   2.03352
   A310       1.51990  -0.00010   0.02495  -0.00669   0.01781   1.53772
   A311       2.83517   0.00009  -0.02438   0.00629  -0.01720   2.81797
   A312       1.90984  -0.00010  -0.00006  -0.00148  -0.00236   1.90748
   A313       1.91419   0.00012   0.00071   0.00211   0.00566   1.91985
   A314       1.91563  -0.00012  -0.00170  -0.00005  -0.00076   1.91487
   A315       1.91575   0.00002   0.00065   0.00000  -0.00010   1.91565
   A316       1.91863  -0.00004   0.00054  -0.00070  -0.00025   1.91839
   A317       1.88970   0.00012  -0.00012   0.00016  -0.00215   1.88755
   A318       1.72387  -0.00013  -0.04412   0.00029  -0.04355   1.68032
   A319       1.91481  -0.00011   0.00128  -0.00137  -0.00055   1.91426
   A320       1.92054   0.00001  -0.00088  -0.00116   0.00006   1.92060
   A321       1.92057   0.00002   0.00067   0.00145   0.00153   1.92210
   A322       1.90407   0.00009  -0.00063   0.00024  -0.00093   1.90314
   A323       1.91268  -0.00002  -0.00066  -0.00030  -0.00093   1.91174
   A324       1.89093   0.00001   0.00019   0.00117   0.00081   1.89173
   A325       2.91623   0.00001  -0.00011   0.00059   0.00049   2.91671
   A326       3.32831   0.00004  -0.00302   0.00204  -0.00090   3.32741
   A327       3.04590   0.00004  -0.00311   0.00209  -0.00096   3.04494
   A328       3.27721   0.00001   0.00084   0.00070   0.00153   3.27874
   A329       3.24707   0.00000   0.00282  -0.00139   0.00142   3.24850
   A330       3.24797  -0.00001   0.00471  -0.00181   0.00289   3.25086
   A331       3.63655  -0.00015  -0.04478  -0.00002  -0.04448   3.59207
   A332       3.21686   0.00000  -0.00120  -0.00024  -0.00144   3.21542
   A333       3.10400  -0.00008   0.00269  -0.00144   0.00128   3.10528
   A334       3.05461  -0.00009   0.00257  -0.00174   0.00089   3.05549
   A335       3.23114  -0.00001  -0.00042   0.00014  -0.00029   3.23085
   A336       3.07696   0.00000  -0.00044   0.00058   0.00013   3.07709
   A337       3.10273   0.00003   0.00008   0.00102   0.00107   3.10380
   A338       3.02039   0.00004   0.00958   0.00025   0.00931   3.02970
    D1        2.74626  -0.00001  -0.00024   0.00017  -0.00005   2.74621
    D2       -1.35612  -0.00002   0.00194   0.00005   0.00200  -1.35412
    D3        2.73263  -0.00001  -0.00263   0.00038  -0.00223   2.73040
    D4       -1.36976  -0.00001  -0.00045   0.00025  -0.00018  -1.36993
    D5        1.62648  -0.00002  -0.00188   0.00039  -0.00145   1.62503
    D6       -2.47591  -0.00002   0.00030   0.00027   0.00061  -2.47531
    D7        1.78233  -0.00001  -0.00174   0.00026  -0.00144   1.78089
    D8       -2.32005  -0.00002   0.00044   0.00014   0.00061  -2.31944
    D9        0.24793   0.00001  -0.00206   0.00096  -0.00109   0.24684
   D10        2.42873   0.00001   0.00013   0.00084   0.00096   2.42969
   D11       -0.02171   0.00000  -0.00161   0.00071  -0.00088  -0.02259
   D12        2.15909  -0.00001   0.00058   0.00058   0.00117   2.16027
   D13       -0.48423   0.00000  -0.00144   0.00062  -0.00079  -0.48502
   D14        1.69656  -0.00001   0.00075   0.00050   0.00127   1.69783
   D15       -0.60615   0.00000  -0.00152   0.00088  -0.00061  -0.60676
   D16        1.57464   0.00000   0.00066   0.00075   0.00145   1.57609
   D17        0.15891  -0.00002  -0.00111   0.00050  -0.00057   0.15834
   D18        2.33970  -0.00002   0.00107   0.00038   0.00149   2.34119
   D19        0.10951  -0.00002  -0.00122   0.00021  -0.00096   0.10855
   D20        2.29031  -0.00002   0.00096   0.00008   0.00109   2.29140
   D21        2.29470   0.00000  -0.00168   0.00079  -0.00086   2.29383
   D22       -1.80769   0.00000   0.00050   0.00066   0.00119  -1.80650
   D23        2.04155   0.00000  -0.00172   0.00088  -0.00080   2.04075
   D24       -2.06084   0.00000   0.00047   0.00076   0.00125  -2.05958
   D25        1.60487   0.00001  -0.00198   0.00085  -0.00109   1.60379
   D26       -2.49751   0.00001   0.00020   0.00072   0.00097  -2.49654
   D27        1.29779   0.00002  -0.00203   0.00086  -0.00105   1.29674
   D28       -2.80459   0.00002   0.00016   0.00074   0.00101  -2.80359
   D29        2.23155  -0.00001  -0.00207   0.00115  -0.00088   2.23066
   D30       -1.87084  -0.00001   0.00011   0.00103   0.00117  -1.86967
   D31       -1.95076   0.00004  -0.00790   0.00167  -0.00621  -1.95697
   D32        0.23004   0.00004  -0.00571   0.00155  -0.00416   0.22588
   D33       -2.27129   0.00003  -0.00562   0.00164  -0.00393  -2.27522
   D34       -0.09049   0.00003  -0.00344   0.00152  -0.00188  -0.09237
   D35       -2.66187   0.00004  -0.00463   0.00168  -0.00300  -2.66487
   D36       -0.48107   0.00004  -0.00245   0.00155  -0.00094  -0.48201
   D37       -2.94509   0.00007  -0.00380   0.00195  -0.00185  -2.94695
   D38       -0.76429   0.00007  -0.00161   0.00182   0.00020  -0.76409
   D39       -2.23320   0.00000  -0.00130   0.00138   0.00037  -2.23283
   D40       -0.05240   0.00000   0.00088   0.00126   0.00243  -0.04998
   D41       -2.44854  -0.00006  -0.01464   0.00198  -0.01345  -2.46200
   D42       -0.26775  -0.00006  -0.01246   0.00186  -0.01140  -0.27914
   D43        1.32268   0.00000   0.00419  -0.00010   0.00407   1.32674
   D44       -1.97898  -0.00001  -0.00052  -0.00075  -0.00128  -1.98026
   D45        2.47877   0.00000   0.00246   0.00006   0.00254   2.48130
   D46       -0.82289  -0.00001  -0.00225  -0.00058  -0.00281  -0.82570
   D47        2.94149   0.00000   0.00229   0.00005   0.00235   2.94383
   D48       -0.36017  -0.00001  -0.00242  -0.00060  -0.00301  -0.36317
   D49        2.82581   0.00001   0.00366   0.00117   0.00484   2.83065
   D50       -0.47584   0.00000  -0.00104   0.00053  -0.00051  -0.47635
   D51        2.01750   0.00002   0.00218   0.00114   0.00334   2.02084
   D52       -1.28415   0.00001  -0.00252   0.00050  -0.00202  -1.28617
   D53        1.15354   0.00002   0.00206   0.00060   0.00264   1.15618
   D54       -2.14812   0.00001  -0.00265  -0.00005  -0.00271  -2.15082
   D55        1.03417   0.00002   0.00253   0.00072   0.00326   1.03743
   D56       -2.26748   0.00001  -0.00218   0.00007  -0.00209  -2.26958
   D57        2.02183  -0.00001   0.00341   0.00047   0.00390   2.02573
   D58       -1.27983  -0.00002  -0.00130  -0.00018  -0.00145  -1.28128
   D59        1.85098  -0.00001   0.00335   0.00009   0.00345   1.85443
   D60       -1.45068  -0.00002  -0.00136  -0.00056  -0.00190  -1.45257
   D61       -2.31541   0.00001   0.00257   0.00052   0.00310  -2.31231
   D62        0.66613   0.00000  -0.00214  -0.00013  -0.00225   0.66387
   D63       -2.43751   0.00000   0.00286   0.00049   0.00337  -2.43414
   D64        0.54402  -0.00001  -0.00184  -0.00015  -0.00198   0.54204
   D65       -2.83693  -0.00001   0.00261   0.00050   0.00315  -2.83378
   D66        0.14460  -0.00002  -0.00209  -0.00015  -0.00221   0.14240
   D67       -3.01244   0.00000   0.00318   0.00041   0.00366  -3.00878
   D68       -0.03091  -0.00001  -0.00153  -0.00024  -0.00169  -0.03260
   D69       -2.15059  -0.00001   0.00282   0.00051   0.00334  -2.14725
   D70        0.83094  -0.00002  -0.00189  -0.00013  -0.00201   0.82893
   D71       -0.20765   0.00000   0.00183  -0.00003   0.00181  -0.20584
   D72        2.77388  -0.00001  -0.00288  -0.00068  -0.00355   2.77033
   D73       -0.60638   0.00001   0.00201   0.00042   0.00242  -0.60396
   D74        2.37515   0.00000  -0.00270  -0.00023  -0.00293   2.37222
   D75       -0.83371   0.00001  -0.00076   0.00086   0.00009  -0.83362
   D76        2.14782   0.00001  -0.00547   0.00022  -0.00526   2.14256
   D77       -1.16659   0.00006   0.00208   0.00096   0.00302  -1.16357
   D78        1.81494   0.00005  -0.00263   0.00032  -0.00233   1.81261
   D79       -0.83869  -0.00001   0.00538   0.00034   0.00589  -0.83281
   D80        2.14284  -0.00002   0.00067  -0.00031   0.00053   2.14337
   D81       -1.13280  -0.00001   0.00065   0.00070   0.00103  -1.13178
   D82        1.84873  -0.00002  -0.00405   0.00005  -0.00433   1.84440
   D83       -1.49974  -0.00002  -0.00037   0.00034  -0.00002  -1.49976
   D84       -2.59525   0.00000  -0.00032   0.00026  -0.00006  -2.59531
   D85       -2.95294   0.00000  -0.00173   0.00036  -0.00138  -2.95432
   D86        0.71386   0.00001  -0.00019   0.00089   0.00069   0.71455
   D87        0.29563   0.00000  -0.00016   0.00089   0.00072   0.29635
   D88       -0.08389   0.00001  -0.00077   0.00107   0.00028  -0.08361
   D89       -0.41287   0.00002  -0.00040   0.00109   0.00067  -0.41220
   D90        0.17734  -0.00002   0.00062   0.00065   0.00127   0.17861
   D91       -0.04849  -0.00002   0.00064   0.00046   0.00109  -0.04740
   D92        2.36077   0.00001  -0.00017   0.00074   0.00055   2.36132
   D93        2.01740   0.00001  -0.00020   0.00076   0.00055   2.01795
   D94        1.62027   0.00001  -0.00047   0.00080   0.00034   1.62061
   D95        1.33556   0.00001  -0.00033   0.00076   0.00051   1.33606
   D96        2.02736   0.00000  -0.00017   0.00080   0.00062   2.02798
   D97       -2.03480   0.00003  -0.00450   0.00107  -0.00360  -2.03840
   D98       -2.52366   0.00001  -0.00118   0.00081  -0.00042  -2.52408
   D99       -2.75959   0.00000  -0.00328   0.00086  -0.00245  -2.76205
   D100      -3.05982   0.00002   0.00077   0.00034   0.00106  -3.05876
   D101      -2.90473  -0.00004   0.00533   0.00039   0.00597  -2.89876
   D102       2.85692   0.00001   0.00670   0.00036   0.00711   2.86403
   D103      -2.87454  -0.00002   0.00144  -0.00075   0.00073  -2.87381
   D104       1.21921  -0.00002   0.00143  -0.00079   0.00069   1.21990
   D105       2.86303  -0.00001   0.00233  -0.00098   0.00135   2.86437
   D106       0.67360  -0.00001   0.00233  -0.00102   0.00131   0.67490
   D107       2.37784  -0.00001   0.00079  -0.00139  -0.00059   2.37724
   D108       0.18841  -0.00001   0.00079  -0.00142  -0.00063   0.18777
   D109       1.79101   0.00000   0.00045  -0.00082  -0.00040   1.79061
   D110      -0.39842   0.00000   0.00045  -0.00086  -0.00044  -0.39886
   D111       2.62159   0.00000   0.00189  -0.00066   0.00122   2.62281
   D112       0.43215   0.00000   0.00189  -0.00070   0.00118   0.43334
   D113       2.29240   0.00000   0.00174  -0.00055   0.00119   2.29359
   D114       0.10297   0.00000   0.00174  -0.00058   0.00115   0.10411
   D115      -1.60962   0.00001  -0.00018  -0.00007  -0.00026  -1.60988
   D116       2.48413   0.00001  -0.00018  -0.00011  -0.00030   2.48383
   D117      -1.77561   0.00000   0.00057  -0.00049   0.00006  -1.77555
   D118       2.31814   0.00000   0.00057  -0.00053   0.00002   2.31817
   D119      -2.73507   0.00002  -0.00006  -0.00002  -0.00010  -2.73517
   D120       1.35868   0.00002  -0.00007  -0.00006  -0.00014   1.35854
   D121      -2.71234   0.00001   0.00046   0.00016   0.00060  -2.71173
   D122       1.38142   0.00001   0.00046   0.00012   0.00056   1.38198
   D123       1.37949   0.00001   0.00136  -0.00066   0.00068   1.38017
   D124      -0.80995   0.00001   0.00136  -0.00070   0.00064  -0.80931
   D125       1.34392   0.00001   0.00157  -0.00070   0.00086   1.34478
   D126      -0.84551   0.00001   0.00157  -0.00073   0.00082  -0.84469
   D127       1.69717   0.00002   0.00206  -0.00070   0.00133   1.69850
   D128      -0.49227   0.00002   0.00206  -0.00074   0.00129  -0.49097
   D129       1.81961   0.00002   0.00155  -0.00050   0.00099   1.82060
   D130      -0.36982   0.00002   0.00155  -0.00054   0.00095  -0.36887
   D131       0.93862   0.00001   0.00207  -0.00078   0.00128   0.93990
   D132      -1.25081   0.00001   0.00207  -0.00081   0.00124  -1.24957
   D133      -0.88603   0.00001   0.00243   0.00009   0.00249  -0.88354
   D134      -3.07546   0.00001   0.00243   0.00005   0.00245  -3.07302
   D135      -0.43470  -0.00001   0.00333  -0.00076   0.00257  -0.43213
   D136      -2.62413  -0.00001   0.00333  -0.00079   0.00253  -2.62160
   D137      -0.06356  -0.00004   0.00569  -0.00139   0.00438  -0.05918
   D138      -2.25299  -0.00004   0.00568  -0.00143   0.00434  -2.24865
   D139       0.33331  -0.00010   0.00392  -0.00214   0.00177   0.33508
   D140      -1.85613  -0.00010   0.00392  -0.00218   0.00173  -1.85439
   D141      -0.26428   0.00001  -0.00034  -0.00082  -0.00132  -0.26559
   D142      -2.45371   0.00001  -0.00034  -0.00085  -0.00136  -2.45506
   D143      -0.02221   0.00002   0.00730  -0.00129   0.00632  -0.01589
   D144      -2.21164   0.00002   0.00730  -0.00133   0.00628  -2.20536
   D145      -2.48290  -0.00002   0.00028   0.00048   0.00077  -2.48214
   D146      -2.71233  -0.00001   0.00125   0.00017   0.00141  -2.71092
   D147      -2.36731  -0.00003   0.00169   0.00004   0.00173  -2.36558
   D148       3.02934  -0.00002   0.00138   0.00007   0.00142   3.03077
   D149       2.65982  -0.00002   0.00162  -0.00019   0.00142   2.66124
   D150       1.52201  -0.00001  -0.00120   0.00072  -0.00050   1.52152
   D151       2.61953   0.00003  -0.00092   0.00071  -0.00028   2.61926
   D152       2.98293   0.00002  -0.00049   0.00085   0.00033   2.98326
   D153       1.27440  -0.00002   0.00122  -0.00015   0.00103   1.27543
   D154       1.30454  -0.00001   0.00081   0.00004   0.00082   1.30536
   D155       1.68226   0.00001   0.00099   0.00009   0.00103   1.68329
   D156       1.74685   0.00001   0.00009   0.00037   0.00042   1.74727
   D157       0.93872   0.00000   0.00094   0.00012   0.00104   0.93976
   D158      -0.99156   0.00002  -0.00251   0.00164  -0.00089  -0.99245
   D159      -0.65090   0.00002  -0.00123   0.00110  -0.00006  -0.65095
   D160      -0.64094   0.00004   0.00331   0.00107   0.00433  -0.63661
   D161      -0.33082  -0.00001  -0.00183   0.00160  -0.00005  -0.33086
   D162      -0.28634   0.00002  -0.00227   0.00067  -0.00167  -0.28802
   D163       0.00114  -0.00002  -0.00145   0.00029  -0.00089   0.00025
   D164      -1.26483  -0.00004   0.00056  -0.00116  -0.00057  -1.26540
   D165       1.69700  -0.00004   0.00039  -0.00082  -0.00039   1.69662
   D166      -1.62573  -0.00002   0.00142  -0.00129   0.00012  -1.62561
   D167       1.33610  -0.00002   0.00125  -0.00095   0.00030   1.33640
   D168      -1.68947  -0.00002   0.00109  -0.00151  -0.00043  -1.68990
   D169       1.27236  -0.00002   0.00092  -0.00117  -0.00025   1.27212
   D170      -1.96708  -0.00001  -0.00104  -0.00154  -0.00262  -1.96970
   D171       0.99475  -0.00001  -0.00120  -0.00120  -0.00244   0.99231
   D172      -1.97931  -0.00002   0.00150  -0.00124   0.00025  -1.97906
   D173       0.98252  -0.00002   0.00133  -0.00090   0.00044   0.98295
   D174      -2.27937  -0.00002   0.00139  -0.00131   0.00008  -2.27929
   D175       0.68246  -0.00002   0.00123  -0.00096   0.00026   0.68272
   D176       1.98048  -0.00001  -0.00062  -0.00064  -0.00127   1.97920
   D177      -1.34088  -0.00001  -0.00078  -0.00030  -0.00109  -1.34197
   D178       0.83329   0.00001  -0.00045  -0.00067  -0.00115   0.83214
   D179      -2.48806   0.00001  -0.00061  -0.00033  -0.00097  -2.48903
   D180       0.36586   0.00001   0.00003  -0.00093  -0.00094   0.36492
   D181      -2.95550   0.00001  -0.00013  -0.00058  -0.00076  -2.95625
   D182      -3.06924   0.00000   0.00092  -0.00142  -0.00053  -3.06977
   D183      -0.10740   0.00000   0.00075  -0.00107  -0.00035  -0.10775
   D184       2.94738  -0.00001   0.00086  -0.00135  -0.00051   2.94686
   D185      -0.37398  -0.00001   0.00069  -0.00101  -0.00033  -0.37431
   D186       3.08985   0.00001   0.00105  -0.00126  -0.00022   3.08962
   D187      -0.23151   0.00001   0.00089  -0.00092  -0.00004  -0.23155
   D188       2.98779   0.00001   0.00016  -0.00098  -0.00080   2.98699
   D189      -0.33357   0.00001   0.00000  -0.00064  -0.00062  -0.33419
   D190       2.50438  -0.00001   0.00131  -0.00139  -0.00009   2.50429
   D191      -0.81697  -0.00001   0.00114  -0.00104   0.00009  -0.81688
   D192       0.27969   0.00003  -0.00552   0.00099  -0.00437   0.27532
   D193      -3.04166   0.00003  -0.00568   0.00133  -0.00419  -3.04585
   D194       0.64452   0.00001  -0.00190   0.00018  -0.00146   0.64305
   D195      -2.67684   0.00001  -0.00206   0.00053  -0.00128  -2.67812
   D196       0.51416   0.00009   0.00911   0.00139   0.01015   0.52432
   D197      -2.80719   0.00009   0.00895   0.00174   0.01034  -2.79686
   D198       1.12237  -0.00001  -0.00186  -0.00098  -0.00291   1.11947
   D199      -2.19898   0.00000  -0.00202  -0.00063  -0.00273  -2.20171
   D200       1.46641  -0.00002   0.00450  -0.00178   0.00291   1.46932
   D201      -1.85495  -0.00002   0.00434  -0.00143   0.00309  -1.85186
   D202       1.64691   0.00001   0.00062  -0.00037   0.00024   1.64715
   D203      -0.57392   0.00002   0.00114  -0.00026   0.00088  -0.57304
   D204       1.68620   0.00001   0.00017  -0.00016   0.00002   1.68622
   D205      -0.53463   0.00002   0.00070  -0.00004   0.00065  -0.53397
   D206       1.33230   0.00003  -0.00024  -0.00002  -0.00026   1.33204
   D207      -0.88853   0.00003   0.00029   0.00009   0.00038  -0.88815
   D208       1.17015   0.00002   0.00124  -0.00003   0.00120   1.17136
   D209      -1.05068   0.00003   0.00177   0.00008   0.00184  -1.04883
   D210       2.10292   0.00002   0.00019  -0.00009   0.00011   2.10303
   D211      -0.11792   0.00002   0.00072   0.00002   0.00075  -0.11717
   D212       2.21575   0.00003   0.00021   0.00018   0.00038   2.21614
   D213      -0.00508   0.00003   0.00073   0.00029   0.00102  -0.00405
   D214      -2.23925   0.00002   0.00137  -0.00020   0.00117  -2.23808
   D215       1.82310   0.00002   0.00189  -0.00009   0.00181   1.82491
   D216      -2.42594   0.00002   0.00076   0.00008   0.00086  -2.42508
   D217       1.63641   0.00002   0.00129   0.00020   0.00150   1.63791
   D218      -2.07415   0.00002  -0.00023   0.00035   0.00014  -2.07401
   D219       1.98821   0.00003   0.00029   0.00047   0.00078   1.98898
   D220      -2.27291   0.00001  -0.00063   0.00027  -0.00035  -2.27326
   D221       1.78944   0.00001  -0.00011   0.00038   0.00029   1.78973
   D222      -2.90525   0.00000   0.00081   0.00010   0.00094  -2.90431
   D223       1.15710   0.00000   0.00133   0.00022   0.00158   1.15869
   D224       3.04925  -0.00002   0.00083   0.00015   0.00099   3.05024
   D225       0.82842  -0.00001   0.00135   0.00026   0.00163   0.83005
   D226      -2.71082  -0.00002   0.00047  -0.00013   0.00036  -2.71046
   D227       1.35154  -0.00001   0.00100  -0.00001   0.00100   1.35254
   D228      -2.65456  -0.00001   0.00144  -0.00035   0.00109  -2.65347
   D229       1.40779  -0.00001   0.00196  -0.00024   0.00173   1.40952
   D230      -1.55799   0.00001   0.00017  -0.00001   0.00017  -1.55782
   D231       2.50436   0.00001   0.00070   0.00011   0.00081   2.50517
   D232       0.03725  -0.00005   0.00798  -0.00241   0.00576   0.04301
   D233      -2.18358  -0.00004   0.00851  -0.00230   0.00640  -2.17718
   D234      -0.14247  -0.00004   0.00473  -0.00155   0.00312  -0.13935
   D235      -2.36330  -0.00003   0.00526  -0.00143   0.00376  -2.35954
   D236       0.09387  -0.00006  -0.00042  -0.00131  -0.00164   0.09223
   D237      -2.12697  -0.00006   0.00011  -0.00119  -0.00100  -2.12797
   D238       0.01375  -0.00007   0.00479  -0.00250   0.00222   0.01597
   D239      -2.20708  -0.00006   0.00532  -0.00238   0.00286  -2.20422
   D240      -0.55287  -0.00002   0.00321  -0.00098   0.00216  -0.55071
   D241      -2.77370  -0.00002   0.00373  -0.00086   0.00280  -2.77090
   D242      -0.76207   0.00004   0.00887  -0.00077   0.00792  -0.75415
   D243      -2.98290   0.00004   0.00940  -0.00065   0.00856  -2.97434
   D244      -2.90433   0.00000   0.00215   0.00033   0.00249  -2.90184
   D245       0.01766   0.00000  -0.00116   0.00006  -0.00109   0.01657
   D246      -3.12100   0.00002   0.00223   0.00049   0.00271  -3.11829
   D247      -0.19901   0.00001  -0.00108   0.00022  -0.00087  -0.19988
   D248       2.75810   0.00003   0.00176   0.00050   0.00226   2.76036
   D249      -0.60309   0.00002  -0.00155   0.00023  -0.00132  -0.60441
   D250       2.52070   0.00002   0.00233   0.00051   0.00284   2.52354
   D251      -0.84049   0.00002  -0.00098   0.00024  -0.00074  -0.84123
   D252      -2.91952   0.00002   0.00210   0.00065   0.00276  -2.91676
   D253       0.00247   0.00002  -0.00121   0.00038  -0.00082   0.00166
   D254      -3.09179   0.00003   0.00207   0.00092   0.00300  -3.08879
   D255      -0.16980   0.00002  -0.00124   0.00065  -0.00057  -0.17037
   D256      -0.66888   0.00003   0.00311   0.00054   0.00364  -0.66525
   D257       2.25311   0.00003  -0.00020   0.00027   0.00006   2.25317
   D258      -0.93016   0.00003   0.00248   0.00074   0.00322  -0.92694
   D259       1.99183   0.00002  -0.00083   0.00047  -0.00036   1.99147
   D260      -0.78217   0.00002   0.00160   0.00098   0.00258  -0.77959
   D261       2.13982   0.00002  -0.00171   0.00071  -0.00100   2.13882
   D262      -0.99904   0.00001   0.00170   0.00083   0.00253  -0.99651
   D263       1.92295   0.00001  -0.00161   0.00056  -0.00105   1.92190
   D264      -1.33686   0.00002   0.00244   0.00076   0.00321  -1.33365
   D265       1.58513   0.00001  -0.00087   0.00050  -0.00036   1.58477
   D266      -1.58357   0.00001   0.00233   0.00093   0.00325  -1.58031
   D267       1.33842   0.00000  -0.00098   0.00066  -0.00032   1.33810
   D268       1.97211   0.00000   0.00224   0.00054   0.00278   1.97488
   D269      -1.38909   0.00000  -0.00107   0.00027  -0.00080  -1.38989
   D270       0.85412   0.00001   0.00261   0.00061   0.00319   0.85731
   D271      -2.50708   0.00000  -0.00070   0.00034  -0.00039  -2.50746
   D272       1.19883  -0.00007   0.01891  -0.00361   0.01553   1.21436
   D273      -2.16237  -0.00007   0.01560  -0.00388   0.01196  -2.15041
   D274       1.22076  -0.00003   0.00853  -0.00139   0.00705   1.22781
   D275      -2.14044  -0.00004   0.00522  -0.00166   0.00347  -2.13696
   D276       1.61563  -0.00005   0.00205  -0.00085   0.00129   1.61692
   D277      -1.74557  -0.00005  -0.00126  -0.00112  -0.00229  -1.74785
   D278       1.61580  -0.00006   0.00622  -0.00167   0.00450   1.62030
   D279      -1.74540  -0.00006   0.00291  -0.00194   0.00093  -1.74447
   D280       0.84635  -0.00001   0.00373  -0.00042   0.00313   0.84948
   D281      -2.51484  -0.00001   0.00042  -0.00069  -0.00045  -2.51529
   D282       0.79162   0.00005   0.01357  -0.00042   0.01319   0.80480
   D283      -2.56958   0.00005   0.01026  -0.00069   0.00961  -2.55997
   D284       1.63181   0.00002  -0.00137   0.00017  -0.00118   1.63063
   D285      -2.57930   0.00002  -0.00329   0.00067  -0.00260  -2.58190
   D286       1.64759   0.00002  -0.00196   0.00057  -0.00139   1.64620
   D287      -2.56352   0.00002  -0.00388   0.00106  -0.00281  -2.56633
   D288       1.30236   0.00003  -0.00238   0.00076  -0.00161   1.30075
   D289      -2.90875   0.00003  -0.00430   0.00126  -0.00303  -2.91178
   D290       1.22149   0.00002  -0.00095   0.00077  -0.00017   1.22131
   D291      -2.98962   0.00002  -0.00288   0.00127  -0.00159  -2.99122
   D292       2.02653   0.00002  -0.00188   0.00069  -0.00117   2.02536
   D293      -2.18458   0.00002  -0.00380   0.00118  -0.00259  -2.18717
   D294       2.01067   0.00002  -0.00186   0.00094  -0.00090   2.00977
   D295      -2.20044   0.00002  -0.00378   0.00143  -0.00232  -2.20276
   D296      -2.31227   0.00002  -0.00073   0.00046  -0.00026  -2.31253
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   D299      -0.23207   0.00002  -0.00347   0.00122  -0.00222  -0.23429
   D300      -1.92214   0.00002  -0.00208   0.00083  -0.00124  -1.92338
   D301       0.14994   0.00002  -0.00400   0.00132  -0.00266   0.14727
   D302      -1.87736   0.00001  -0.00215   0.00061  -0.00153  -1.87889
   D303       0.19471   0.00001  -0.00407   0.00110  -0.00295   0.19177
   D304      -2.65629   0.00001  -0.00198   0.00093  -0.00103  -2.65732
   D305      -0.58421   0.00001  -0.00390   0.00143  -0.00245  -0.58666
   D306      -2.80174   0.00001  -0.00209   0.00128  -0.00080  -2.80254
   D307      -0.72966   0.00001  -0.00401   0.00178  -0.00222  -0.73188
   D308       1.53490   0.00001  -0.00199   0.00074  -0.00123   1.53366
   D309      -2.67621   0.00001  -0.00391   0.00123  -0.00265  -2.67887
   D310       2.63083  -0.00001  -0.00125   0.00067  -0.00058   2.63024
   D311      -1.58028  -0.00001  -0.00317   0.00117  -0.00200  -1.58229
   D312       3.01365  -0.00001  -0.00044   0.00045  -0.00007   3.01358
   D313      -1.19746  -0.00001  -0.00236   0.00094  -0.00149  -1.19895
   D314      -0.33235  -0.00005   0.00740  -0.00135   0.00607  -0.32628
   D315       1.73972  -0.00005   0.00548  -0.00085   0.00465   1.74437
   D316      -0.22361  -0.00004   0.00345  -0.00084   0.00255  -0.22106
   D317       1.84847  -0.00004   0.00153  -0.00035   0.00113   1.84960
   D318       0.18376  -0.00006  -0.00037  -0.00073  -0.00099   0.18276
   D319       2.25583  -0.00006  -0.00229  -0.00023  -0.00241   2.25342
   D320       0.33334  -0.00009   0.00226  -0.00165   0.00064   0.33397
   D321       2.40541  -0.00009   0.00034  -0.00116  -0.00078   2.40463
   D322      -0.51828  -0.00002  -0.00016  -0.00032  -0.00063  -0.51891
   D323       1.55379  -0.00002  -0.00209   0.00017  -0.00205   1.55174
   D324      -0.58574   0.00005   0.01192  -0.00055   0.01132  -0.57442
   D325       1.48634   0.00005   0.01000  -0.00005   0.00990   1.49624
   D326      -0.03682   0.00004  -0.01320   0.00337  -0.00984  -0.04666
   D327       2.14066   0.00002  -0.01465   0.00304  -0.01144   2.12922
   D328       0.29986   0.00002  -0.01284   0.00323  -0.00959   0.29027
   D329       2.47734   0.00001  -0.01429   0.00291  -0.01119   2.46616
   D330       0.65728   0.00002  -0.01304   0.00336  -0.00975   0.64753
   D331       2.83476   0.00000  -0.01449   0.00304  -0.01134   2.82341
   D332       0.94112   0.00002  -0.01273   0.00335  -0.00950   0.93162
   D333       3.11860   0.00000  -0.01418   0.00303  -0.01110   3.10750
   D334       0.30586   0.00000  -0.01096   0.00294  -0.00793   0.29793
   D335       2.48334  -0.00001  -0.01241   0.00261  -0.00953   2.47382
   D336       0.66445   0.00002  -0.01268   0.00346  -0.00928   0.65518
   D337       2.84194   0.00000  -0.01413   0.00313  -0.01087   2.83106
   D338      -2.42972   0.00001  -0.01390   0.00274  -0.01123  -2.44095
   D339      -0.25224   0.00000  -0.01535   0.00242  -0.01283  -0.26507
   D340      -2.02759   0.00000  -0.01226   0.00248  -0.00997  -2.03756
   D341       0.14989  -0.00001  -0.01370   0.00216  -0.01157   0.13832
   D342      -1.98004   0.00001  -0.01273   0.00287  -0.01005  -1.99009
   D343       0.19744   0.00000  -0.01418   0.00254  -0.01165   0.18579
   D344      -1.69240   0.00002  -0.01381   0.00328  -0.01075  -1.70315
   D345       0.48508   0.00000  -0.01526   0.00295  -0.01235   0.47273
   D346      -1.63131   0.00000  -0.00997   0.00191  -0.00841  -1.63972
   D347       0.54617  -0.00001  -0.01141   0.00158  -0.01001   0.53616
   D348      -1.31640   0.00000  -0.00951   0.00185  -0.00794  -1.32435
   D349       0.86108  -0.00001  -0.01096   0.00152  -0.00954   0.85154
   D350       1.70867   0.00004  -0.01643   0.00424  -0.01248   1.69620
   D351      -2.39703   0.00002  -0.01788   0.00392  -0.01407  -2.41111
   D352       2.09969   0.00005  -0.01912   0.00480  -0.01455   2.08514
   D353      -2.00601   0.00004  -0.02057   0.00447  -0.01615  -2.02217
   D354       2.22870   0.00008  -0.02757   0.00682  -0.02106   2.20764
   D355      -1.87701   0.00007  -0.02902   0.00650  -0.02266  -1.89966
   D356       2.85770   0.00008  -0.02995   0.00611  -0.02315   2.83456
   D357      -1.24800   0.00007  -0.03140   0.00579  -0.02475  -1.27275
   D358       2.46729   0.00003  -0.01655   0.00388  -0.01270   2.45459
   D359      -1.63842   0.00002  -0.01799   0.00355  -0.01430  -1.65272
   D360       1.62478   0.00005  -0.00394   0.00258  -0.00167   1.62311
   D361      -2.48092   0.00004  -0.00539   0.00225  -0.00327  -2.48419
   D362       1.73247   0.00006  -0.01314   0.00435  -0.00884   1.72363
   D363      -2.37324   0.00004  -0.01459   0.00402  -0.01044  -2.38367
   D364       2.74284  -0.00001  -0.00508   0.00266  -0.00213   2.74072
   D365      -1.36286  -0.00002  -0.00653   0.00234  -0.00372  -1.36658
   D366       2.71795  -0.00006  -0.02147   0.00337  -0.01831   2.69964
   D367      -1.38775  -0.00007  -0.02292   0.00304  -0.01991  -1.40766
   D368       0.03543   0.00004   0.00049  -0.00046  -0.00005   0.03538
   D369      -2.82765   0.00005  -0.01991   0.00688  -0.01315  -2.84080
   D370       0.42766   0.00003  -0.00066  -0.00032  -0.00101   0.42665
   D371      -2.43541   0.00004  -0.02106   0.00702  -0.01411  -2.44952
   D372       0.59779   0.00003  -0.00175   0.00000  -0.00178   0.59601
   D373      -2.26529   0.00004  -0.02216   0.00734  -0.01488  -2.28017
   D374       0.88055   0.00002  -0.00092  -0.00021  -0.00115   0.87940
   D375      -1.98253   0.00003  -0.02132   0.00714  -0.01425  -1.99678
   D376       0.71308   0.00003   0.00044  -0.00049  -0.00006   0.71301
   D377      -2.15000   0.00003  -0.01996   0.00685  -0.01317  -2.16317
   D378       1.03716   0.00003   0.00018  -0.00032  -0.00016   1.03701
   D379      -1.82591   0.00004  -0.02022   0.00702  -0.01326  -1.83917
   D380      -2.86216   0.00005  -0.00276  -0.00005  -0.00291  -2.86507
   D381       0.55795   0.00006  -0.02316   0.00730  -0.01601   0.54194
   D382      -2.29504   0.00001  -0.00428  -0.00080  -0.00508  -2.30012
   D383       1.12506   0.00001  -0.02469   0.00654  -0.01818   1.10688
   D384      -1.98722  -0.00001  -0.00107  -0.00119  -0.00225  -1.98947
   D385       1.43289   0.00000  -0.02147   0.00615  -0.01535   1.41754
   D386      -1.63083  -0.00002  -0.00055  -0.00126  -0.00180  -1.63264
   D387       1.78927  -0.00001  -0.02095   0.00608  -0.01490   1.77437
   D388      -1.74644  -0.00008  -0.00790  -0.00296  -0.01056  -1.75700
   D389       1.67367  -0.00007  -0.02831   0.00438  -0.02366   1.65000
   D390      -0.98932  -0.00012   0.00076  -0.00441  -0.00366  -0.99298
   D391       2.43078  -0.00012  -0.01964   0.00294  -0.01676   2.41403
   D392       1.78138   0.00000  -0.00035  -0.00067  -0.00101   1.78037
   D393      -1.08170   0.00000  -0.02075   0.00668  -0.01411  -1.09581
   D394       2.07582   0.00001   0.00009  -0.00040  -0.00034   2.07548
   D395      -0.78726   0.00002  -0.02031   0.00694  -0.01344  -0.80070
   D396       2.01186   0.00003   0.00007   0.00016   0.00016   2.01203
   D397      -0.85121   0.00003  -0.02033   0.00750  -0.01294  -0.86415
   D398       2.19329   0.00005   0.00073   0.00040   0.00098   2.19427
   D399      -0.66979   0.00005  -0.01968   0.00774  -0.01212  -0.68191
   D400       2.48368   0.00000  -0.00004  -0.00058  -0.00065   2.48303
   D401      -0.37940   0.00001  -0.02044   0.00676  -0.01375  -0.39315
   D402      -1.43739   0.00001   0.01116  -0.00216   0.00873  -1.42866
   D403       1.98272   0.00002  -0.00925   0.00518  -0.00437   1.97835
   D404      -2.55114  -0.00001   0.00738  -0.00077   0.00675  -2.54439
   D405       0.86897   0.00000  -0.01302   0.00658  -0.00635   0.86262
   D406      -2.91747  -0.00003  -0.00564  -0.00019  -0.00609  -2.92356
   D407       0.50264  -0.00002  -0.02604   0.00715  -0.01919   0.48345
   D408       1.78707   0.00002   0.00992  -0.00112   0.00862   1.79569
   D409       2.27624   0.00001   0.00781  -0.00084   0.00680   2.28303
   D410       2.49017   0.00001   0.00881  -0.00051   0.00821   2.49838
   D411       2.73472   0.00001   0.01032  -0.00052   0.00977   2.74449
   D412       2.69832   0.00004   0.00503  -0.00054   0.00424   2.70256
   D413      -3.11424   0.00004   0.00586   0.00006   0.00587  -3.10837
   D414      -0.87789   0.00000   0.01015  -0.00099   0.00916  -0.86873
   D415      -0.49982   0.00000   0.01031  -0.00101   0.00930  -0.49052
   D416      -0.18428   0.00000   0.00998  -0.00111   0.00884  -0.17544
   D417       0.12448  -0.00001   0.01003  -0.00117   0.00885   0.13333
   D418      -0.37046   0.00001   0.01090  -0.00092   0.00998  -0.36048
   D419      -0.05249   0.00000   0.01187  -0.00111   0.01073  -0.04176
   D420      -2.67555  -0.00001   0.00959  -0.00075   0.00886  -2.66669
   D421      -2.29673  -0.00001   0.00980  -0.00077   0.00905  -2.28768
   D422      -2.06428  -0.00001   0.00946  -0.00044   0.00908  -2.05520
   D423      -1.74893  -0.00001   0.01026  -0.00052   0.00973  -1.73920
   D424      -2.06961  -0.00002   0.01023  -0.00115   0.00904  -2.06057
   D425       1.34200  -0.00006   0.02097  -0.00220   0.01913   1.36113
   D426       2.48309  -0.00003   0.01756  -0.00126   0.01645   2.49954
   D427       2.91107  -0.00004   0.01081  -0.00030   0.01068   2.92176
   D428      -3.08588  -0.00001  -0.00298   0.00090  -0.00208  -3.08796
   D429       0.01037   0.00004   0.00470   0.00035   0.00504   0.01541
   D430       0.03025   0.00016  -0.00098   0.00139   0.00042   0.03066
   D431       3.12650   0.00022   0.00670   0.00084   0.00754   3.13404
   D432      -0.01772   0.00005   0.01304  -0.00107   0.01197  -0.00575
   D433       2.07796   0.00004   0.01227  -0.00109   0.01118   2.08914
   D434      -2.11897   0.00002   0.01169  -0.00131   0.01036  -2.10861
   D435      -3.11608  -0.00001   0.00572  -0.00056   0.00517  -3.11092
   D436      -1.02041  -0.00001   0.00494  -0.00057   0.00438  -1.01603
   D437       1.06585  -0.00003   0.00436  -0.00080   0.00356   1.06941
   D438      -2.36512  -0.00005  -0.00874   0.00114  -0.00760  -2.37272
   D439      -0.27521  -0.00001  -0.00824   0.00130  -0.00693  -0.28214
   D440       1.83230  -0.00003  -0.00850   0.00125  -0.00724   1.82506
   D441       0.73325   0.00000  -0.00142   0.00062  -0.00080   0.73245
   D442       2.82316   0.00004  -0.00091   0.00079  -0.00012   2.82303
   D443      -1.35251   0.00002  -0.00118   0.00074  -0.00044  -1.35295
   D444      -0.00962  -0.00002  -0.00115  -0.00023  -0.00138  -0.01100
   D445       3.12055  -0.00002  -0.00059   0.00004  -0.00054   3.12001
   D446      -3.13014  -0.00002  -0.00110  -0.00032  -0.00142  -3.13156
   D447       0.00003  -0.00002  -0.00054  -0.00005  -0.00059  -0.00056
   D448       2.44404   0.00002  -0.00215   0.00158  -0.00057   2.44347
   D449      -1.75320   0.00000  -0.00234   0.00165  -0.00069  -1.75389
   D450       0.35407   0.00002  -0.00240   0.00176  -0.00065   0.35342
   D451      -0.68668   0.00002  -0.00268   0.00133  -0.00137  -0.68805
   D452       1.39927   0.00001  -0.00288   0.00139  -0.00148   1.39778
   D453      -2.77665   0.00002  -0.00294   0.00151  -0.00145  -2.77809
   D454       2.07768  -0.00001  -0.00120  -0.00060  -0.00181   2.07587
   D455      -2.12009   0.00002  -0.00112  -0.00069  -0.00185  -2.12194
   D456      -0.02627  -0.00001  -0.00127  -0.00064  -0.00192  -0.02819
   D457      -1.07480  -0.00001  -0.00067  -0.00034  -0.00101  -1.07581
   D458       1.01061   0.00002  -0.00059  -0.00044  -0.00105   1.00956
   D459       3.10444  -0.00001  -0.00074  -0.00038  -0.00112   3.10331
   D460      -3.06759   0.00004   0.00078  -0.00032   0.00048  -3.06711
   D461      -0.03051   0.00005   0.00070  -0.00035   0.00035  -0.03015
   D462       0.08616   0.00004   0.00093  -0.00009   0.00086   0.08702
   D463       3.12324   0.00004   0.00085  -0.00012   0.00073   3.12398
   D464       1.91118   0.00000  -0.00032   0.00070   0.00039   1.91157
   D465      -2.28860  -0.00001  -0.00058   0.00054   0.00000  -2.28860
   D466      -0.19599   0.00000  -0.00055   0.00065   0.00009  -0.19591
   D467      -1.13002   0.00000  -0.00026   0.00074   0.00051  -1.12951
   D468       0.95338  -0.00001  -0.00052   0.00058   0.00012   0.95351
   D469       3.04599   0.00000  -0.00049   0.00069   0.00021   3.04620
   D470      -1.60726   0.00003  -0.00396   0.00229  -0.00165  -1.60891
   D471       0.49839   0.00003  -0.00405   0.00206  -0.00200   0.49639
   D472       2.58792   0.00004  -0.00388   0.00209  -0.00181   2.58611
   D473       1.43432   0.00002  -0.00403   0.00226  -0.00178   1.43255
   D474      -2.74321   0.00003  -0.00412   0.00203  -0.00212  -2.74533
   D475      -0.65369   0.00004  -0.00396   0.00205  -0.00193  -0.65562
   D476       0.01651  -0.00032  -0.00853   0.00463  -0.00381   0.01270
   D477      -3.07301  -0.00041  -0.02272   0.00238  -0.02041  -3.09342
   D478       3.13755  -0.00010  -0.00959   0.00465  -0.00507   3.13248
   D479       0.04803  -0.00019  -0.02378   0.00241  -0.02167   0.02636
   D480      -0.13689  -0.00019   0.01098  -0.00757   0.00335  -0.13354
   D481       1.96550  -0.00015   0.01218  -0.00718   0.00526   1.97075
   D482      -2.24370  -0.00001   0.01142  -0.00573   0.00560  -2.23810
   D483       2.95505  -0.00011   0.02444  -0.00545   0.01914   2.97419
   D484      -1.22575  -0.00007   0.02564  -0.00507   0.02104  -1.20471
   D485       0.84824   0.00007   0.02488  -0.00362   0.02139   0.86963
   D486      -0.04408   0.00007   0.04891   0.00213   0.05099   0.00691
   D487       2.05097   0.00012   0.04838   0.00084   0.04953   2.10050
   D488      -2.14978   0.00015   0.04849   0.00246   0.05152  -2.09826
   D489      -3.13632  -0.00002   0.03546  -0.00003   0.03521  -3.10112
   D490      -1.04128   0.00003   0.03493  -0.00132   0.03375  -1.00753
   D491       1.04115   0.00007   0.03504   0.00030   0.03575   1.07690
         Item               Value     Threshold  Converged?
 Maximum Force            0.000409     0.000450     YES
 RMS     Force            0.000051     0.000300     YES
 Maximum Displacement     0.104520     0.001800     NO 
 RMS     Displacement     0.007728     0.001200     NO 
 Predicted change in Energy=-2.799402D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:49:41 2016, MaxMem=  2952790016 cpu:         4.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.880101   -0.632923    1.704922
      2          6           0       -2.169559    0.985582   -1.421707
      3          8           0       -2.607194    0.004507   -2.046428
      4          7           0       -0.909734    1.107286   -0.919363
      5          1           0       -2.801916    1.866905   -1.194527
      6          6           0       -0.504221    2.276823   -0.137843
      7          1           0       -1.348947    2.974243   -0.054592
      8          1           0       -0.192097    1.958872    0.870223
      9          1           0        0.344409    2.784389   -0.624926
     10          6           0        0.091776    0.053183   -1.094298
     11          1           0        0.621463   -0.107430   -0.142641
     12          1           0       -0.408474   -0.876478   -1.395680
     13          1           0        0.828348    0.342729   -1.862126
     14          6           0       -1.966035   -4.068351    2.622970
     15          8           0       -2.136312   -3.923515    3.845615
     16          7           0       -2.878635   -3.772607    1.658001
     17          1           0       -1.012813   -4.445384    2.202703
     18          6           0       -4.205045   -3.246608    1.990795
     19          1           0       -4.472090   -2.466484    1.260406
     20          1           0       -4.963091   -4.046432    1.949056
     21          1           0       -4.183870   -2.814535    2.999995
     22          6           0       -2.580785   -3.951202    0.236854
     23          1           0       -3.278058   -4.679184   -0.209295
     24          1           0       -2.692327   -2.989631   -0.291177
     25          1           0       -1.549470   -4.311451    0.117325
     26          6           0        1.527307    0.357780    2.626103
     27          8           0        1.372116    1.371435    3.327803
     28          7           0        1.136654   -0.901579    2.962215
     29          1           0        2.003522    0.401435    1.626718
     30          6           0        1.444142   -2.050875    2.110521
     31          1           0        2.201693   -2.693020    2.590680
     32          1           0        0.533157   -2.648669    1.950802
     33          1           0        1.821070   -1.699033    1.140419
     34          6           0        0.504454   -1.180055    4.254561
     35          1           0        1.259395   -1.469126    5.005598
     36          1           0       -0.027630   -0.283821    4.598538
     37          1           0       -0.208345   -2.008287    4.130977
     38          6           0       -4.474922    1.446840    2.828797
     39          8           0       -4.643255    2.132419    1.806901
     40          7           0       -3.408712    1.520013    3.672685
     41          1           0       -5.202657    0.669542    3.138728
     42          6           0       -2.310792    2.465943    3.460933
     43          1           0       -2.438167    2.956983    2.489062
     44          1           0       -2.304964    3.222824    4.263191
     45          1           0       -1.348721    1.930462    3.487488
     46          6           0       -3.283329    0.620008    4.819229
     47          1           0       -4.142512   -0.064734    4.847934
     48          1           0       -2.356246    0.030277    4.736762
     49          1           0       -3.243710    1.201066    5.754985
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.532585   0.000000
     3  O    3.873965   1.242702   0.000000
     4  N    3.294967   1.361735   2.316844   0.000000
     5  H    3.937726   1.108249   2.057226   2.057447   0.000000
     6  C    3.708834   2.467582   3.637116   1.463910   2.562033
     7  H    4.048414   2.548957   3.790769   2.103869   2.153315
     8  H    3.203667   3.179716   4.261348   2.107800   3.329085
     9  H    4.696239   3.192273   4.296554   2.114768   3.326497
    10  C    3.492087   2.467833   2.862405   1.464499   3.416589
    11  H    3.153958   3.258910   3.749822   2.103188   4.089497
    12  H    3.440746   2.563078   2.456416   2.100824   3.646255
    13  H    4.583822   3.097527   3.457066   2.119972   3.993446
    14  C    3.557016   6.476348   6.229168   6.360119   7.106282
    15  O    3.933981   7.200349   7.096989   7.036936   7.705520
    16  N    3.294979   5.712071   5.297458   5.859414   6.320356
    17  H    3.941426   6.630973   6.355997   6.371033   7.388306
    18  C    3.509763   5.805154   5.424209   6.187445   6.185715
    19  H    3.205923   4.940864   4.529766   5.496690   5.253041
    20  H    4.606134   6.669860   6.158267   7.156698   7.037070
    21  H    3.426951   6.168451   5.991602   6.439100   6.435814
    22  C    3.695559   5.224153   4.567462   5.451380   5.995676
    23  H    4.689428   5.898160   5.075636   6.292566   6.636918
    24  H    3.193461   4.165778   3.471746   4.511872   4.941053
    25  H    4.020118   5.550828   4.942479   5.553980   6.439073
    26  C    3.666129   5.517764   6.249116   4.367065   5.967985
    27  O    4.150676   5.937187   6.825376   4.828564   6.174099
    28  N    3.279294   5.806134   6.318535   4.825959   6.360451
    29  H    4.019769   5.200840   5.908321   3.932914   5.761880
    30  C    3.636715   5.895384   6.157771   4.969397   6.655926
    31  H    4.657211   6.981348   7.204500   6.036862   7.756082
    32  H    3.153967   5.646794   5.734021   4.942366   6.434767
    33  H    3.892804   5.449475   5.715555   4.424412   6.288075
    34  C    3.533570   6.637797   7.126570   5.831067   7.064602
    35  H    4.631429   7.687234   8.176379   6.815290   8.128032
    36  H    3.453482   6.514798   7.133922   5.758516   6.773617
    37  H    3.251483   6.606203   6.925760   5.975339   7.078469
    38  C    3.510215   4.857391   5.416323   5.184068   4.377504
    39  O    3.910567   4.225910   4.849917   4.735249   3.531231
    40  N    3.293005   5.270100   5.970548   5.244248   4.917143
    41  H    3.845984   5.486086   5.836484   5.923589   5.096503
    42  C    3.587763   5.104076   6.039665   4.795405   4.719466
    43  H    3.716684   4.387788   5.414457   4.168314   3.858680
    44  H    4.646723   6.110782   7.089443   5.768972   5.645544
    45  H    3.167152   5.066238   5.993103   4.504515   4.902762
    46  C    3.638378   6.350072   6.926272   6.229191   6.160501
    47  H    3.914061   6.656133   7.063584   6.714626   6.483808
    48  H    3.139841   6.234918   6.787879   5.936673   6.225111
    49  H    4.650372   7.259831   7.918266   7.071291   6.995301
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098584   0.000000
     8  H    1.102140   1.795707   0.000000
     9  H    1.102292   1.796881   1.790192   0.000000
    10  C    2.492908   3.418956   2.751649   2.782735   0.000000
    11  H    2.636637   3.658822   2.440774   2.944822   1.100916
    12  H    3.396267   4.184622   3.635979   3.816129   1.097885
    13  H    2.913694   3.864280   3.334510   2.779670   1.102695
    14  C    7.072498   7.559647   6.522759   7.927611   5.919435
    15  O    7.548235   7.963079   6.872802   8.434198   6.721700
    16  N    6.742292   7.126914   6.378709   7.654669   5.570921
    17  H    7.136168   7.762682   6.592691   7.880809   5.685722
    18  C    6.981081   7.144220   6.667567   7.994526   6.234508
    19  H    6.340193   6.409739   6.168821   7.370536   5.720334
    20  H    8.013752   8.146564   7.745317   9.025245   7.184743
    21  H    7.021949   7.132828   6.576898   8.061843   6.577856
    22  C    6.575775   7.040181   6.405931   7.393755   4.994962
    23  H    7.489013   7.894324   7.399480   8.306620   5.876591
    24  H    5.704986   6.117879   5.664599   6.532416   4.201780
    25  H    6.675553   7.290480   6.459587   7.381643   4.817857
    26  C    3.930551   4.722800   2.933080   4.225738   3.999364
    27  O    4.043645   4.627501   2.971791   4.321652   4.788740
    28  N    4.733399   5.504664   3.784730   5.203997   4.296351
    29  H    3.594375   4.548098   2.796182   3.674374   3.343648
    30  C    5.251688   6.143360   4.504851   5.663202   4.065319
    31  H    6.282209   7.191827   5.507295   6.617525   5.056921
    32  H    5.449685   6.259478   4.787805   6.015656   4.094809
    33  H    4.779996   5.772050   4.184031   5.039647   3.324858
    34  C    5.679845   6.265946   4.668167   6.289024   5.504677
    35  H    6.602837   7.221668   5.564110   7.115644   6.394489
    36  H    5.405306   5.832021   4.353969   6.069341   5.704052
    37  H    6.055786   6.606479   5.135283   6.774504   5.625232
    38  C    5.025564   4.518696   4.737170   6.078091   6.179618
    39  O    4.575421   3.876375   4.551954   5.587096   5.929645
    40  N    4.850665   4.500001   4.288706   5.844145   6.093368
    41  H    5.949334   5.509993   5.649265   7.029055   6.806573
    42  C    4.031210   3.680004   3.384933   4.883211   5.687167
    43  H    3.332175   2.767105   2.943076   4.179646   5.260525
    44  H    4.848370   4.429335   4.192137   5.577194   6.670358
    45  H    3.738471   3.692669   2.861583   4.528557   5.156740
    46  C    5.919547   5.747903   5.190657   6.890853   6.832454
    47  H    6.601365   6.408912   5.960113   7.629034   7.297480
    48  H    5.677916   5.713025   4.832508   6.605026   6.324127
    49  H    6.586917   6.362819   5.809260   7.488977   7.704270
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795080   0.000000
    13  H    1.789434   1.798268   0.000000
    14  C    5.480205   5.363170   6.883480   0.000000
    15  O    6.170414   6.304049   7.718054   1.242913   0.000000
    16  N    5.378338   4.879982   6.562698   1.360687   2.315053
    17  H    5.195126   5.103986   6.545131   1.107886   2.057610
    18  C    6.140127   5.612457   7.284462   2.467402   2.859758
    19  H    5.786014   5.108413   6.762878   3.271524   3.776520
    20  H    7.146900   6.479228   8.205523   3.071968   3.406277
    21  H    6.347897   6.109962   7.663607   2.575460   2.477378
    22  C    5.017269   4.103417   5.870753   2.466818   3.636135
    23  H    6.009297   4.909440   6.694328   3.180605   4.279827
    24  H    4.394355   3.301716   5.095847   3.191142   4.277188
    25  H    4.738599   3.923021   5.588706   2.551643   3.794078
    26  C    2.950070   4.630916   4.542353   5.638624   5.765310
    27  O    3.846362   5.525840   5.318767   6.421162   6.372888
    28  N    3.245954   4.623775   4.991755   4.446370   4.541453
    29  H    2.302099   4.072552   3.681918   6.060436   6.384897
    30  C    3.087153   4.135800   4.678725   3.995262   4.397384
    31  H    4.080863   5.099398   5.561415   4.388910   4.680519
    32  H    3.293660   3.902085   4.855309   2.951825   3.513064
    33  H    2.370337   3.475523   3.764248   4.706782   5.284627
    34  C    4.527648   5.731563   6.311707   4.136141   3.829812
    35  H    5.363351   6.641489   7.115775   4.778732   4.347460
    36  H    4.788654   6.035473   6.547171   4.688598   4.273266
    37  H    4.750332   5.644908   6.520683   3.099584   2.732505
    38  C    6.100684   6.307140   7.165787   6.062525   5.945060
    39  O    6.044410   6.102733   6.826652   6.803163   6.864070
    40  N    5.783390   6.358689   7.069145   5.866262   5.592934
    41  H    6.729892   6.777553   7.841452   5.761021   5.567616
    42  C    5.310943   6.194941   6.534310   6.596820   6.403405
    43  H    5.067329   5.822911   6.036330   7.042453   7.019445
    44  H    6.250274   7.240427   7.458693   7.481072   7.160515
    45  H    4.605699   5.710368   5.989900   6.092145   5.917568
    46  C    6.355841   7.009234   7.850050   5.342240   4.786144
    47  H    6.899502   7.320156   8.360645   5.071140   4.463146
    48  H    5.717891   6.497912   7.333797   4.628080   4.058939
    49  H    7.171730   7.967858   8.679791   6.261687   5.579727
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056848   0.000000
    18  C    1.465192   3.416477   0.000000
    19  H    2.098365   4.095188   1.101533   0.000000
    20  H    2.122416   3.978467   1.102767   1.792081   0.000000
    21  H    2.102971   3.653895   1.098007   1.797326   1.797005
    22  C    1.462966   2.562677   2.492184   2.613251   2.935317
    23  H    2.113816   3.317187   2.784237   2.912349   2.810372
    24  H    2.108804   3.340572   2.749863   2.418398   3.360333
    25  H    2.104927   2.157484   3.419921   3.640363   3.883077
    26  C    6.116342   5.449942   6.801109   6.770108   7.872785
    27  O    6.878829   6.386637   7.363331   7.290988   8.449206
    28  N    5.105519   4.213742   5.914098   6.066555   6.937108
    29  H    6.423321   5.737742   7.210205   7.091734   8.271705
    30  C    4.674991   3.432026   5.775589   5.991430   6.712746
    31  H    5.276848   3.681623   6.458530   6.808841   7.319667
    32  H    3.604067   2.383624   4.775949   5.055921   5.671198
    33  H    5.162832   4.086782   6.279506   6.340918   7.224197
    34  C    4.990866   4.144225   5.619133   5.948601   6.589804
    35  H    5.799631   4.677314   6.489112   6.918895   7.396234
    36  H    5.380205   4.901961   5.747105   5.971630   6.748019
    37  H    4.044612   3.210117   4.699726   5.160392   5.614483
    38  C    5.582251   6.862690   4.775305   4.215918   5.584648
    39  O    6.164851   7.523581   5.399979   4.634422   6.188756
    40  N    5.687861   6.594479   5.116989   4.779333   6.030946
    41  H    5.227458   6.677830   4.201097   3.727799   4.869612
    42  C    6.518628   7.143833   6.195381   5.817419   7.192461
    43  H    6.795002   7.543784   6.469518   5.921185   7.464225
    44  H    7.486799   8.044669   7.115310   6.788327   8.078548
    45  H    6.181639   6.512675   6.099240   5.835106   7.152182
    46  C    5.426988   6.136746   4.878557   4.858478   5.730196
    47  H    5.051868   5.998530   4.276853   4.329825   4.993071
    48  H    4.920730   5.315808   4.657935   4.774480   5.584487
    49  H    6.454144   7.034061   5.905514   5.929678   6.706534
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390699   0.000000
    23  H    3.820596   1.102360   0.000000
    24  H    3.617620   1.102668   1.790077   0.000000
    25  H    4.182178   1.098944   1.797200   1.794492   0.000000
    26  C    6.543769   6.415002   7.516783   6.125438   6.128805
    27  O    6.964107   7.315043   8.411015   6.973924   7.151086
    28  N    5.654096   5.526947   6.619551   5.441104   5.189980
    29  H    7.107191   6.472483   7.555046   6.101528   6.092069
    30  C    5.748814   4.829276   5.881219   4.874402   4.247911
    31  H    6.399821   5.476825   6.466249   5.687223   4.775775
    32  H    4.835149   3.785610   4.828496   3.942901   3.234782
    33  H    6.384487   5.026432   6.058394   4.907735   4.385429
    34  C    5.121117   5.774073   6.817428   5.844460   5.580409
    35  H    5.954972   6.606709   7.621553   6.781140   6.313775
    36  H    5.121931   6.244403   7.280093   6.191230   6.214424
    37  H    4.211170   4.956569   5.949352   5.166106   4.817944
    38  C    4.274733   6.280508   6.941950   5.709130   7.004875
    39  O    5.109488   6.612811   7.233723   5.868854   7.345041
    40  N    4.454402   6.513417   7.315524   6.046677   7.078372
    41  H    3.632626   6.053624   6.597137   5.608526   6.876406
    42  C    5.621773   7.186608   8.090675   6.632284   7.595551
    43  H    6.051359   7.267447   8.142333   6.569364   7.697080
    44  H    6.447919   8.231289   9.131910   7.712776   8.632745
    45  H    5.548938   6.832172   7.815112   6.347512   7.096463
    46  C    3.989570   6.510582   7.305307   6.284507   7.030893
    47  H    3.313305   6.229421   6.900434   6.088392   6.865649
    48  H    3.801253   6.012633   6.891461   5.874773   6.390672
    49  H    4.959730   7.578595   8.375629   7.377129   8.064831
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242563   0.000000
    28  N    1.360723   2.314236   0.000000
    29  H    1.107906   2.057489   2.057390   0.000000
    30  C    2.464622   3.633066   1.463152   2.561404   0.000000
    31  H    3.124649   4.213235   2.116981   3.247175   1.103080
    32  H    3.237762   4.331423   2.107010   3.401490   1.101255
    33  H    2.554219   3.796575   2.103165   2.163733   1.098620
    34  C    2.462324   2.849881   1.465395   3.413776   2.497649
    35  H    3.011870   3.300984   2.124286   3.933135   2.958722
    36  H    2.592292   2.512754   2.101127   3.664269   3.388041
    37  H    3.297789   3.816474   2.097578   4.119518   2.610512
    38  C    6.103596   5.868777   6.084624   6.671439   6.912688
    39  O    6.472732   6.251154   6.629271   6.870837   7.392465
    40  N    5.177876   4.795554   5.198963   5.893171   6.224291
    41  H    6.756656   6.614835   6.533486   7.367976   7.255193
    42  C    4.457835   3.844409   4.844977   5.122484   6.027005
    43  H    4.743376   4.211378   5.281260   5.196447   6.347776
    44  H    5.057157   4.221790   5.527022   5.785696   6.819215
    45  H    3.389225   2.782259   3.804399   4.127701   5.054421
    46  C    5.293466   4.945925   5.029908   6.179862   6.067924
    47  H    6.104253   5.897840   5.667966   6.954659   6.530612
    48  H    4.432169   4.205301   4.027123   5.368212   5.066684
    49  H    5.767463   5.217863   5.604308   6.724242   6.770022
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787574   0.000000
    33  H    1.798928   1.793669   0.000000
    34  C    2.817478   2.732208   3.420628   0.000000
    35  H    2.866648   3.354180   3.912538   1.103428   0.000000
    36  H    3.847806   3.594092   4.168826   1.097574   1.796407
    37  H    2.941030   2.390205   3.627342   1.099693   1.791624
    38  C    7.859537   6.528778   7.237863   5.807544   6.791444
    39  O    8.411449   7.048032   7.543986   6.592604   7.618665
    40  N    7.099086   5.990086   6.642684   4.789761   5.701125
    41  H    8.150557   6.732107   7.676988   6.102230   7.058131
    42  C    6.909034   6.043824   6.309049   4.674265   5.533262
    43  H    7.311713   6.367246   6.452784   5.375043   6.292484
    44  H    7.622628   6.919286   7.141467   5.222858   5.938873
    45  H    5.897990   5.183755   5.359995   3.701078   4.545781
    46  C    6.784397   5.785991   6.705706   4.231593   5.003554
    47  H    7.228556   6.077169   7.209780   4.815634   5.583706
    48  H    5.726850   4.825658   5.777038   3.143410   3.923434
    49  H    7.404670   6.599773   7.440215   4.687189   5.288616
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795844   0.000000
    38  C    5.089752   5.642452   0.000000
    39  O    5.910621   6.497323   1.242025   0.000000
    40  N    3.942427   4.785529   1.361729   2.319545   0.000000
    41  H    5.460847   5.753128   1.108985   2.055895   2.055882
    42  C    3.750756   4.988785   2.474192   2.878792   1.464599
    43  H    4.556685   5.685235   2.558187   2.451053   2.099476
    44  H    4.194671   5.637182   3.149654   3.562295   2.113414
    45  H    2.807626   4.150697   3.231238   3.703932   2.108632
    46  C    3.386028   4.103310   2.462796   3.634681   1.462974
    47  H    4.128250   4.446245   2.544065   3.784985   2.105018
    48  H    2.353766   3.022614   3.183672   4.270070   2.111696
    49  H    3.726315   4.706463   3.184158   4.291097   2.113037
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419614   0.000000
    43  H    3.646485   1.096302   0.000000
    44  H    4.022473   1.102960   1.798874   0.000000
    45  H    4.069936   1.101374   1.799303   1.785026   0.000000
    46  C    2.551540   2.489633   3.406674   2.835671   2.689523
    47  H    2.141134   3.418084   4.195217   3.811371   3.692817
    48  H    3.326324   2.749959   3.691134   3.227887   2.487267
    49  H    3.311312   2.780813   3.794522   2.682200   3.043772
                   46         47         48         49
    46  C    0.000000
    47  H    1.099041   0.000000
    48  H    1.101847   1.792243   0.000000
    49  H    1.102197   1.798009   1.787490   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2149640      0.1891931      0.1853331
 Leave Link  202 at Mon Nov 14 00:49:41 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.1070525351 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839320012 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.9231205339 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4046
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.27D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     225
 GePol: Fraction of low-weight points (<1% of avg)   =       5.56%
 GePol: Cavity surface area                          =    466.463 Ang**2
 GePol: Cavity volume                                =    458.099 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039798904 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.9191406435 Hartrees.
 Leave Link  301 at Mon Nov 14 00:49:41 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37514.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:49:42 2016, MaxMem=  2952790016 cpu:        13.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:49:42 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000333   -0.002600   -0.002030
         Rot=    1.000000    0.000141   -0.000186    0.000337 Ang=   0.05 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50922959733    
 Leave Link  401 at Mon Nov 14 00:49:49 2016, MaxMem=  2952790016 cpu:        79.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49110348.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   2886.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.03D-14 for   1803    995.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.02D-14 for   4005.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.51D-09 for   3004   1346.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.15D-14 for     84.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.31D-14 for   2433    170.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for    468.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.32D-16 for   2372    168.
 E= -1013.44993043567    
 DIIS: error= 6.40D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44993043567     IErMin= 1 ErrMin= 6.40D-04
 ErrMax= 6.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.40D-04 BMatP= 5.40D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.40D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.28D-04 MaxDP=6.49D-03              OVMax= 9.59D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.28D-04    CP:  1.00D+00
 E= -1013.45092966931     Delta-E=       -0.000999233639 Rises=F Damp=F
 DIIS: error= 6.82D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45092966931     IErMin= 2 ErrMin= 6.82D-05
 ErrMax= 6.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.83D-06 BMatP= 5.40D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-01 0.989D+00
 Coeff:      0.112D-01 0.989D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.66D-05 MaxDP=7.72D-04 DE=-9.99D-04 OVMax= 1.43D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.59D-05    CP:  1.00D+00  9.62D-01
 E= -1013.45092451195     Delta-E=        0.000005157353 Rises=F Damp=F
 DIIS: error= 1.63D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45092966931     IErMin= 2 ErrMin= 6.82D-05
 ErrMax= 1.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-05 BMatP= 5.83D-06
 IDIUse=3 WtCom= 4.39D-01 WtEn= 5.61D-01
 Coeff-Com:  0.999D-03 0.601D+00 0.398D+00
 Coeff-En:   0.000D+00 0.656D+00 0.344D+00
 Coeff:      0.438D-03 0.632D+00 0.367D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.10D-05 MaxDP=7.68D-04 DE= 5.16D-06 OVMax= 1.44D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.98D-06    CP:  1.00D+00  9.72D-01  4.71D-01
 E= -1013.45093346574     Delta-E=       -0.000008953783 Rises=F Damp=F
 DIIS: error= 6.58D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45093346574     IErMin= 4 ErrMin= 6.58D-05
 ErrMax= 6.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-06 BMatP= 5.83D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.191D-03 0.277D+00 0.277D+00 0.446D+00
 Coeff:     -0.191D-03 0.277D+00 0.277D+00 0.446D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.22D-06 MaxDP=3.25D-04 DE=-8.95D-06 OVMax= 4.98D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.06D-06    CP:  1.00D+00  9.74D-01  5.18D-01  4.87D-01
 E= -1013.45093499047     Delta-E=       -0.000001524730 Rises=F Damp=F
 DIIS: error= 1.91D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45093499047     IErMin= 5 ErrMin= 1.91D-05
 ErrMax= 1.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-07 BMatP= 1.98D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.577D-04 0.152D+00 0.168D+00 0.315D+00 0.364D+00
 Coeff:     -0.577D-04 0.152D+00 0.168D+00 0.315D+00 0.364D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.17D-06 MaxDP=7.77D-05 DE=-1.52D-06 OVMax= 9.59D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.07D-07    CP:  1.00D+00  9.74D-01  5.04D-01  5.20D-01  6.23D-01
 E= -1013.45093518544     Delta-E=       -0.000000194975 Rises=F Damp=F
 DIIS: error= 1.25D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45093518544     IErMin= 6 ErrMin= 1.25D-06
 ErrMax= 1.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-09 BMatP= 2.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.265D-04 0.522D-01 0.595D-01 0.116D+00 0.161D+00 0.612D+00
 Coeff:     -0.265D-04 0.522D-01 0.595D-01 0.116D+00 0.161D+00 0.612D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.78D-07 MaxDP=9.31D-06 DE=-1.95D-07 OVMax= 1.18D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.54D-07    CP:  1.00D+00  9.74D-01  5.07D-01  5.20D-01  6.26D-01
                    CP:  9.02D-01
 E= -1013.45093518728     Delta-E=       -0.000000001834 Rises=F Damp=F
 DIIS: error= 6.14D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45093518728     IErMin= 7 ErrMin= 6.14D-07
 ErrMax= 6.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-10 BMatP= 2.43D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.138D-04 0.116D-01 0.140D-01 0.283D-01 0.473D-01 0.338D+00
 Coeff-Com:  0.561D+00
 Coeff:     -0.138D-04 0.116D-01 0.140D-01 0.283D-01 0.473D-01 0.338D+00
 Coeff:      0.561D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.72D-08 MaxDP=4.30D-06 DE=-1.83D-09 OVMax= 3.58D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.56D-08    CP:  1.00D+00  9.74D-01  5.07D-01  5.20D-01  6.27D-01
                    CP:  9.15D-01  7.86D-01
 E= -1013.45093518770     Delta-E=       -0.000000000429 Rises=F Damp=F
 DIIS: error= 8.48D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45093518770     IErMin= 8 ErrMin= 8.48D-08
 ErrMax= 8.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.53D-12 BMatP= 4.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.359D-05 0.837D-03 0.120D-02 0.270D-02 0.621D-02 0.770D-01
 Coeff-Com:  0.198D+00 0.714D+00
 Coeff:     -0.359D-05 0.837D-03 0.120D-02 0.270D-02 0.621D-02 0.770D-01
 Coeff:      0.198D+00 0.714D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.48D-08 MaxDP=6.96D-07 DE=-4.29D-10 OVMax= 1.28D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.24D-08    CP:  1.00D+00  9.74D-01  5.07D-01  5.20D-01  6.28D-01
                    CP:  9.18D-01  7.94D-01  8.47D-01
 E= -1013.45093518776     Delta-E=       -0.000000000059 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45093518776     IErMin= 8 ErrMin= 8.48D-08
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.66D-12 BMatP= 9.53D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-05 0.172D-03 0.352D-03 0.911D-03 0.277D-02 0.443D-01
 Coeff-Com:  0.126D+00 0.539D+00 0.286D+00
 Coeff:     -0.208D-05 0.172D-03 0.352D-03 0.911D-03 0.277D-02 0.443D-01
 Coeff:      0.126D+00 0.539D+00 0.286D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.42D-09 MaxDP=4.93D-07 DE=-5.91D-11 OVMax= 8.96D-07

 Error on total polarization charges =  0.04264
 SCF Done:  E(RB97D) =  -1013.45093519     A.U. after    9 cycles
            NFock=  9  Conv=0.74D-08     -V/T= 2.0213
 KE= 9.923551744562D+02 PE=-6.025247637894D+03 EE= 2.172522387607D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:51:41 2016, MaxMem=  2952790016 cpu:      1285.6
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37514.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     364
 Leave Link  701 at Mon Nov 14 00:51:50 2016, MaxMem=  2952790016 cpu:        96.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:51:50 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:52:27 2016, MaxMem=  2952790016 cpu:       439.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.56846709D+00-2.81149159D+00 3.48735049D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000608132    0.000865077   -0.000957892
      2        6           0.000164474    0.000015256    0.000060237
      3        8          -0.000004317    0.000027463    0.000013004
      4        7           0.000037062   -0.000033760    0.000071053
      5        1           0.000052088    0.000084166   -0.000113715
      6        6           0.000064136   -0.000034209   -0.000047862
      7        1           0.000026211   -0.000006323    0.000047988
      8        1           0.000084060   -0.000044020    0.000042846
      9        1           0.000047574   -0.000006398    0.000026381
     10        6           0.000049355   -0.000102870    0.000031150
     11        1           0.000011300   -0.000106051    0.000015545
     12        1           0.000021070    0.000021328   -0.000008773
     13        1           0.000028734    0.000020401    0.000021837
     14        6          -0.000057968    0.000015563    0.000036972
     15        8          -0.000022714    0.000003818   -0.000022797
     16        7          -0.000062954    0.000040093    0.000090851
     17        1          -0.000020675   -0.000015783   -0.000020241
     18        6          -0.000025379    0.000038669    0.000024471
     19        1          -0.000022051    0.000012019    0.000017751
     20        1          -0.000016417    0.000012691   -0.000049810
     21        1           0.000003197    0.000046743   -0.000031931
     22        6          -0.000125002    0.000014288   -0.000025460
     23        1           0.000014710    0.000003819   -0.000048125
     24        1          -0.000052553   -0.000013604    0.000011459
     25        1           0.000007942    0.000035893   -0.000019241
     26        6           0.000000670    0.000018105    0.000068626
     27        8           0.000000729   -0.000001996    0.000056079
     28        7           0.000012986   -0.000057101    0.000018815
     29        1          -0.000050688   -0.000021238    0.000003867
     30        6           0.000032318    0.000016355    0.000029605
     31        1          -0.000010541   -0.000036668   -0.000011280
     32        1          -0.000112394   -0.000093371   -0.000031955
     33        1           0.000000349   -0.000008893    0.000022287
     34        6          -0.000068068   -0.000011778    0.000015145
     35        1          -0.000028748   -0.000017893    0.000025279
     36        1          -0.000042521   -0.000018785    0.000023748
     37        1          -0.000000669   -0.000037043    0.000025439
     38        6          -0.000119312   -0.000033950   -0.000110984
     39        8           0.000181050    0.000185899    0.000452056
     40        7           0.000024775   -0.000020341    0.000033705
     41        1           0.000125029   -0.000113622   -0.000065952
     42        6          -0.000416020   -0.000493743    0.000321751
     43        1           0.000107492   -0.000054646   -0.000119936
     44        1          -0.000328805    0.000050518   -0.000080301
     45        1          -0.000287740   -0.000283376    0.000077421
     46        6          -0.000337736    0.000158053    0.000252287
     47        1          -0.000012851   -0.000026678   -0.000027210
     48        1           0.000605968   -0.000029736   -0.000254980
     49        1          -0.000085287    0.000037658    0.000110789
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000957892 RMS     0.000166737
 Leave Link  716 at Mon Nov 14 00:52:27 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000360697 RMS     0.000043676
 Search for a local minimum.
 Step number  13 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .43676D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   10   11   12   13
 DE= -3.90D-05 DEPred=-2.80D-06 R= 1.39D+01
 TightC=F SS=  1.41D+00  RLast= 2.09D-01 DXNew= 2.2445D+00 6.2587D-01
 Trust test= 1.39D+01 RLast= 2.09D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00053   0.00245   0.00348   0.00370   0.00390
     Eigenvalues ---    0.00431   0.00550   0.00672   0.00738   0.00771
     Eigenvalues ---    0.00857   0.00878   0.00908   0.01000   0.01022
     Eigenvalues ---    0.01031   0.01055   0.01209   0.01257   0.01323
     Eigenvalues ---    0.01356   0.01389   0.01482   0.01526   0.01531
     Eigenvalues ---    0.01594   0.01771   0.01780   0.01859   0.01879
     Eigenvalues ---    0.01898   0.01956   0.02036   0.02085   0.02137
     Eigenvalues ---    0.02175   0.02229   0.02292   0.02705   0.02877
     Eigenvalues ---    0.02899   0.03360   0.03648   0.03937   0.04168
     Eigenvalues ---    0.04262   0.04649   0.05111   0.05398   0.05657
     Eigenvalues ---    0.05735   0.06053   0.06082   0.06234   0.06793
     Eigenvalues ---    0.06999   0.07301   0.07702   0.07736   0.07875
     Eigenvalues ---    0.07992   0.08106   0.08264   0.08435   0.08489
     Eigenvalues ---    0.08580   0.08678   0.08778   0.08872   0.08931
     Eigenvalues ---    0.09131   0.09157   0.09713   0.09877   0.10013
     Eigenvalues ---    0.10045   0.10077   0.10240   0.10507   0.10542
     Eigenvalues ---    0.10573   0.10650   0.10797   0.11305   0.11408
     Eigenvalues ---    0.11553   0.11626   0.11795   0.12767   0.13320
     Eigenvalues ---    0.13513   0.14429   0.14676   0.15294   0.15638
     Eigenvalues ---    0.16123   0.16608   0.22056   0.23141   0.23708
     Eigenvalues ---    0.24025   0.24615   0.25094   0.25726   0.26554
     Eigenvalues ---    0.26954   0.27953   0.28536   0.29278   0.29807
     Eigenvalues ---    0.29928   0.30086   0.32720   0.32731   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33416   0.33424   0.33452   0.33502   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33833   0.33892   0.33915
     Eigenvalues ---    0.33949   0.34001   0.34136   0.37148   0.39463
     Eigenvalues ---    0.40648   0.41665   0.85942   0.85990   0.86094
     Eigenvalues ---    0.87234
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    13   12   11   10    9
 RFO step:  Lambda=-7.16178882D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.42D-05 SmlDif=  1.00D-05
 RMS Error=  0.2825327387D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.05211    0.77261   -3.77796    2.98534   -0.03211
 Iteration  1 RMS(Cart)=  0.00329189 RMS(Int)=  0.00015796
 Iteration  2 RMS(Cart)=  0.00002577 RMS(Int)=  0.00015105
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00015105
 ITry= 1 IFail=0 DXMaxC= 2.74D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.67562   0.00003   0.01273  -0.00248   0.01025   6.68586
    R2        6.22659   0.00000   0.00044  -0.00079  -0.00036   6.22622
    R3        7.00868   0.00000   0.00101  -0.00055   0.00048   7.00916
    R4        6.05405   0.00000  -0.00101  -0.00062  -0.00164   6.05241
    R5        6.59909  -0.00004  -0.00161  -0.00120  -0.00282   6.59627
    R6        5.96012  -0.00004  -0.00345  -0.00228  -0.00572   5.95439
    R7        6.72179  -0.00002   0.00088   0.00007   0.00094   6.72273
    R8        6.22661  -0.00003   0.00041   0.00005   0.00047   6.22708
    R9        6.63249  -0.00003   0.00067  -0.00076  -0.00008   6.63241
   R10        6.05832  -0.00001   0.00231   0.00183   0.00414   6.06246
   R11        6.98359   0.00000   0.00161   0.00075   0.00235   6.98595
   R12        6.03477   0.00003   0.00227   0.00160   0.00388   6.03864
   R13        6.92798  -0.00004   0.00115  -0.00140  -0.00023   6.92775
   R14        6.19697  -0.00002  -0.00115  -0.00037  -0.00149   6.19548
   R15        6.87239   0.00000  -0.00257  -0.00015  -0.00266   6.86974
   R16        5.96013  -0.00001  -0.00308  -0.00066  -0.00376   5.95637
   R17        6.67748   0.00002   0.00021  -0.00116  -0.00093   6.67655
   R18        6.63334  -0.00004   0.00094   0.01020   0.01084   6.64418
   R19        6.22288   0.00009  -0.00239   0.00526   0.00339   6.22627
   R20        6.77989  -0.00012  -0.00221  -0.00322  -0.00464   6.77525
   R21        5.98505  -0.00017   0.00521   0.00033   0.00456   5.98961
   R22        6.87554   0.00019   0.01552   0.00539   0.02234   6.89788
   R23        5.93344  -0.00016   0.02520   0.00379   0.02803   5.96147
   R24        2.34837   0.00001   0.00004   0.00002   0.00006   2.34842
   R25        2.57331  -0.00003  -0.00046   0.00010  -0.00032   2.57299
   R26        2.09429   0.00001   0.00027   0.00000   0.00026   2.09455
   R27        2.76639  -0.00004  -0.00042  -0.00011  -0.00053   2.76586
   R28        2.76750   0.00001  -0.00032   0.00003  -0.00025   2.76725
   R29        2.07602  -0.00001   0.00006  -0.00002   0.00003   2.07606
   R30        2.08274   0.00004  -0.00016   0.00010  -0.00007   2.08267
   R31        2.08303   0.00001   0.00008   0.00001   0.00009   2.08312
   R32        2.08043  -0.00002  -0.00016   0.00004  -0.00011   2.08032
   R33        2.07470   0.00000  -0.00007   0.00001  -0.00005   2.07465
   R34        2.08379   0.00000   0.00009  -0.00001   0.00008   2.08387
   R35        2.34876   0.00001   0.00002   0.00002   0.00004   2.34880
   R36        2.57133   0.00002  -0.00011  -0.00002  -0.00016   2.57117
   R37        2.09360   0.00000   0.00002   0.00002   0.00003   2.09363
   R38        2.76881  -0.00001  -0.00006   0.00004  -0.00002   2.76879
   R39        2.76461   0.00006   0.00029  -0.00007   0.00014   2.76475
   R40        2.08160  -0.00001  -0.00015   0.00001  -0.00015   2.08144
   R41        2.08393   0.00000   0.00001   0.00001   0.00002   2.08395
   R42        2.07493   0.00002  -0.00003   0.00000  -0.00002   2.07491
   R43        2.08316   0.00000   0.00001   0.00000   0.00001   2.08317
   R44        2.08374   0.00002  -0.00008   0.00004   0.00003   2.08377
   R45        2.07670   0.00000  -0.00003   0.00003   0.00000   2.07671
   R46        2.34810   0.00003  -0.00006   0.00006  -0.00001   2.34810
   R47        2.57139   0.00002  -0.00011  -0.00002  -0.00015   2.57124
   R48        2.09364   0.00000   0.00005  -0.00001   0.00003   2.09367
   R49        2.76496   0.00002   0.00006  -0.00006  -0.00007   2.76489
   R50        2.76920   0.00004   0.00027  -0.00014   0.00008   2.76928
   R51        2.08452   0.00000   0.00004  -0.00001   0.00003   2.08455
   R52        2.08107   0.00007   0.00022  -0.00006  -0.00004   2.08103
   R53        2.07609  -0.00001  -0.00003   0.00000  -0.00004   2.07605
   R54        2.08518   0.00000  -0.00002  -0.00002  -0.00004   2.08514
   R55        2.07411   0.00002   0.00007   0.00003   0.00009   2.07421
   R56        2.07812  -0.00001  -0.00002  -0.00002  -0.00004   2.07808
   R57        2.34709  -0.00030  -0.00015   0.00017   0.00002   2.34711
   R58        2.57329  -0.00022   0.00015  -0.00015   0.00002   2.57332
   R59        2.09568  -0.00001   0.00011  -0.00009   0.00002   2.09569
   R60        2.76769  -0.00036   0.00108  -0.00075  -0.00016   2.76753
   R61        2.76462  -0.00006  -0.00093   0.00058  -0.00073   2.76389
   R62        2.07171   0.00009   0.00004   0.00027   0.00031   2.07202
   R63        2.08429  -0.00003   0.00001  -0.00006  -0.00005   2.08424
   R64        2.08130   0.00006   0.00105  -0.00037   0.00029   2.08159
   R65        2.07689   0.00000  -0.00030   0.00025  -0.00005   2.07683
   R66        2.08219   0.00032   0.00108  -0.00001   0.00027   2.08246
   R67        2.08285   0.00012   0.00042  -0.00027   0.00015   2.08300
    A1        0.69381  -0.00001  -0.00071   0.00015  -0.00055   0.69326
    A2        0.97872   0.00000  -0.00091   0.00019  -0.00070   0.97802
    A3        0.71785  -0.00001  -0.00074   0.00025  -0.00047   0.71738
    A4        1.01241  -0.00001  -0.00077   0.00033  -0.00042   1.01199
    A5        2.30360   0.00001   0.00040   0.00036   0.00076   2.30436
    A6        1.98137   0.00001   0.00070   0.00050   0.00119   1.98256
    A7        1.93800   0.00002   0.00105   0.00062   0.00165   1.93964
    A8        1.64393   0.00002   0.00105   0.00039   0.00141   1.64534
    A9        1.61506   0.00000   0.00056   0.00048   0.00104   1.61611
   A10        1.33260  -0.00001   0.00068   0.00051   0.00118   1.33378
   A11        1.74644  -0.00002  -0.00073  -0.00003  -0.00073   1.74571
   A12        2.04009  -0.00002  -0.00084   0.00010  -0.00071   2.03938
   A13        1.93077  -0.00003  -0.00089   0.00024  -0.00062   1.93015
   A14        2.00922  -0.00002  -0.00071   0.00006  -0.00064   2.00859
   A15        2.44163  -0.00001  -0.00080   0.00005  -0.00072   2.44091
   A16        1.52213   0.00007   0.00285   0.00171   0.00452   1.52665
   A17        1.76329   0.00005   0.00164   0.00117   0.00287   1.76617
   A18        1.59843   0.00004   0.00062   0.00057   0.00116   1.59959
   A19        1.71234   0.00005   0.00122   0.00189   0.00315   1.71549
   A20        2.17513   0.00003   0.00040   0.00096   0.00139   2.17652
   A21        2.41199   0.00002  -0.00027   0.00048   0.00046   2.41244
   A22        0.66006   0.00000  -0.00026   0.00012  -0.00014   0.65992
   A23        0.66303   0.00000   0.00006   0.00017   0.00024   0.66326
   A24        2.37859   0.00000   0.00013  -0.00004   0.00010   2.37869
   A25        2.19094   0.00001   0.00025   0.00032   0.00057   2.19152
   A26        2.28267   0.00001   0.00034   0.00065   0.00098   2.28366
   A27        2.01499   0.00001   0.00026   0.00043   0.00068   2.01567
   A28        1.78613   0.00000   0.00031   0.00036   0.00068   1.78681
   A29        1.53762  -0.00001   0.00044   0.00052   0.00096   1.53858
   A30        1.35276  -0.00001   0.00008  -0.00015  -0.00006   1.35270
   A31        1.64858  -0.00001  -0.00001  -0.00011  -0.00010   1.64848
   A32        1.59635  -0.00002  -0.00013  -0.00007  -0.00018   1.59617
   A33        1.74599  -0.00002  -0.00006  -0.00027  -0.00033   1.74566
   A34        2.04622  -0.00001   0.00003  -0.00010  -0.00006   2.04616
   A35        1.73127   0.00006   0.00267   0.00221   0.00485   1.73611
   A36        1.84143   0.00006   0.00152   0.00183   0.00340   1.84482
   A37        1.53979   0.00007   0.00093   0.00127   0.00214   1.54194
   A38        1.54219   0.00007   0.00164   0.00249   0.00415   1.54634
   A39        2.23120   0.00003  -0.00008   0.00138   0.00136   2.23257
   A40        2.34923  -0.00002  -0.00020   0.00075   0.00060   2.34983
   A41        0.70456   0.00000  -0.00014   0.00004  -0.00009   0.70446
   A42        0.77273   0.00000  -0.00007   0.00014   0.00007   0.77280
   A43        2.67906  -0.00001  -0.00012  -0.00043  -0.00055   2.67851
   A44        2.59234   0.00000   0.00008   0.00027   0.00036   2.59270
   A45        2.62692   0.00001   0.00032   0.00082   0.00113   2.62805
   A46        2.31821   0.00001   0.00033   0.00068   0.00100   2.31921
   A47        2.18635  -0.00001   0.00015   0.00034   0.00050   2.18685
   A48        1.94203  -0.00002   0.00030   0.00054   0.00084   1.94287
   A49        1.12413  -0.00001   0.00005  -0.00044  -0.00037   1.12376
   A50        1.48419  -0.00001  -0.00009  -0.00038  -0.00045   1.48374
   A51        1.59301  -0.00002  -0.00019  -0.00036  -0.00055   1.59246
   A52        1.82999  -0.00001  -0.00012  -0.00051  -0.00064   1.82934
   A53        1.80250   0.00000   0.00001  -0.00036  -0.00035   1.80216
   A54        1.53927   0.00005   0.00289   0.00235   0.00521   1.54448
   A55        1.52696   0.00007   0.00168   0.00206   0.00379   1.53075
   A56        1.17025   0.00009   0.00119   0.00152   0.00264   1.17290
   A57        1.14002   0.00008   0.00180   0.00254   0.00435   1.14437
   A58        1.87360   0.00003   0.00004   0.00142   0.00154   1.87514
   A59        1.95014  -0.00002  -0.00001   0.00075   0.00077   1.95091
   A60        0.84287   0.00001  -0.00018   0.00018   0.00001   0.84288
   A61        0.78791   0.00001  -0.00004   0.00030   0.00026   0.78818
   A62        2.60868  -0.00001  -0.00003  -0.00062  -0.00065   2.60803
   A63        2.75671   0.00000  -0.00005   0.00004   0.00000   2.75671
   A64        2.59167   0.00001   0.00016   0.00072   0.00087   2.59255
   A65        2.37866   0.00000   0.00007   0.00034   0.00043   2.37909
   A66        2.17510  -0.00001   0.00020   0.00064   0.00085   2.17594
   A67        0.87256  -0.00002   0.00024  -0.00048  -0.00023   0.87233
   A68        1.24660  -0.00001   0.00011  -0.00039  -0.00028   1.24632
   A69        1.43323  -0.00002   0.00001  -0.00036  -0.00034   1.43288
   A70        1.70541  -0.00001   0.00010  -0.00046  -0.00039   1.70502
   A71        1.52848  -0.00001   0.00021  -0.00040  -0.00018   1.52830
   A72        1.56438   0.00004   0.00259   0.00206   0.00461   1.56899
   A73        1.44179   0.00006   0.00154   0.00196   0.00353   1.44532
   A74        1.03794   0.00009   0.00126   0.00165   0.00285   1.04079
   A75        0.93161   0.00009   0.00188   0.00259   0.00447   0.93607
   A76        1.71897   0.00002   0.00003   0.00122   0.00132   1.72029
   A77        1.73210  -0.00003   0.00013   0.00061   0.00075   1.73285
   A78        1.99356  -0.00001   0.00005  -0.00029  -0.00024   1.99333
   A79        1.92508   0.00000   0.00013   0.00001   0.00014   1.92522
   A80        2.19648   0.00000   0.00019   0.00030   0.00049   2.19697
   A81        2.04627   0.00000   0.00006   0.00009   0.00014   2.04641
   A82        1.53584  -0.00001   0.00025   0.00016   0.00041   1.53625
   A83        1.35674  -0.00001   0.00042   0.00043   0.00084   1.35758
   A84        1.18478   0.00000   0.00009   0.00009   0.00019   1.18497
   A85        1.37348  -0.00001   0.00002   0.00003   0.00006   1.37355
   A86        1.21307  -0.00002  -0.00016  -0.00002  -0.00017   1.21290
   A87        1.32431  -0.00002  -0.00010  -0.00030  -0.00041   1.32390
   A88        1.80056   0.00000   0.00005   0.00008   0.00015   1.80071
   A89        2.16235   0.00006   0.00269   0.00229   0.00497   2.16733
   A90        2.23022   0.00007   0.00156   0.00206   0.00368   2.23390
   A91        1.86546   0.00009   0.00109   0.00169   0.00273   1.86819
   A92        1.76950   0.00010   0.00163   0.00281   0.00446   1.77396
   A93        2.56120   0.00003  -0.00015   0.00142   0.00137   2.56257
   A94        2.52898  -0.00004  -0.00002   0.00068   0.00066   2.52964
   A95        1.90845  -0.00001  -0.00006  -0.00063  -0.00069   1.90775
   A96        1.97228  -0.00001   0.00000  -0.00035  -0.00035   1.97193
   A97        2.34227   0.00000   0.00003  -0.00009  -0.00006   2.34221
   A98        2.28542   0.00000  -0.00007  -0.00017  -0.00025   2.28516
   A99        1.63813  -0.00001   0.00016  -0.00010   0.00007   1.63820
   A100       1.52932  -0.00001   0.00036   0.00027   0.00062   1.52994
   A101       0.88277   0.00000   0.00010   0.00017   0.00028   0.88305
   A102       1.05709  -0.00001   0.00000  -0.00003  -0.00001   1.05708
   A103       0.93390  -0.00002  -0.00018  -0.00022  -0.00039   0.93350
   A104       1.09873  -0.00002  -0.00011  -0.00053  -0.00065   1.09808
   A105       1.48392   0.00000   0.00004   0.00003   0.00008   1.48400
   A106       2.31197   0.00006   0.00281   0.00249   0.00528   2.31724
   A107       2.22597   0.00006   0.00141   0.00224   0.00369   2.22966
   A108       1.81112   0.00011   0.00117   0.00203   0.00315   1.81427
   A109       1.63261   0.00010   0.00149   0.00285   0.00435   1.63696
   A110       2.41876   0.00002  -0.00021   0.00117   0.00107   2.41983
   A111       2.27934  -0.00005   0.00004   0.00056   0.00060   2.27994
   A112       0.71322   0.00000  -0.00013   0.00004  -0.00010   0.71312
   A113       1.00496   0.00000  -0.00025  -0.00003  -0.00028   1.00468
   A114       0.69310   0.00002  -0.00006  -0.00007  -0.00014   0.69296
   A115       0.97934   0.00002  -0.00011  -0.00005  -0.00017   0.97916
   A116       1.79117   0.00001  -0.00020  -0.00017  -0.00038   1.79079
   A117       1.41430   0.00000  -0.00008  -0.00027  -0.00036   1.41395
   A118       1.17746   0.00001  -0.00004  -0.00028  -0.00032   1.17714
   A119       0.90345   0.00000  -0.00013  -0.00015  -0.00025   0.90320
   A120       1.24563   0.00000  -0.00016  -0.00016  -0.00033   1.24530
   A121       2.06206  -0.00004  -0.00273  -0.00183  -0.00453   2.05754
   A122       2.05556  -0.00006  -0.00164  -0.00177  -0.00346   2.05210
   A123       2.35320  -0.00006  -0.00100  -0.00116  -0.00211   2.35109
   A124       2.26593  -0.00005  -0.00163  -0.00218  -0.00384   2.26209
   A125       1.67333  -0.00003  -0.00007  -0.00134  -0.00147   1.67186
   A126       1.52190   0.00000   0.00008  -0.00085  -0.00086   1.52104
   A127       0.65678   0.00000  -0.00022  -0.00012  -0.00034   0.65644
   A128       0.66133   0.00002  -0.00014  -0.00010  -0.00024   0.66109
   A129       2.14449   0.00001  -0.00023  -0.00004  -0.00028   2.14421
   A130       1.77847   0.00000  -0.00013  -0.00017  -0.00031   1.77816
   A131       1.47774   0.00001  -0.00013  -0.00011  -0.00023   1.47750
   A132       1.18531   0.00000  -0.00025  -0.00005  -0.00026   1.18505
   A133       1.63809   0.00000  -0.00024  -0.00018  -0.00042   1.63767
   A134       1.92315  -0.00003  -0.00230  -0.00159  -0.00385   1.91930
   A135       2.08382  -0.00006  -0.00147  -0.00194  -0.00345   2.08037
   A136       2.48752  -0.00010  -0.00122  -0.00172  -0.00288   2.48464
   A137       2.55005  -0.00008  -0.00189  -0.00281  -0.00472   2.54532
   A138       1.79615  -0.00003  -0.00002  -0.00147  -0.00156   1.79458
   A139       1.74067   0.00002  -0.00007  -0.00103  -0.00114   1.73953
   A140       0.70455   0.00000  -0.00014  -0.00001  -0.00016   0.70439
   A141       0.84044   0.00002  -0.00024  -0.00015  -0.00039   0.84005
   A142       2.49219   0.00001  -0.00038  -0.00026  -0.00064   2.49155
   A143       2.11432   0.00000  -0.00025  -0.00034  -0.00059   2.11373
   A144       1.88186   0.00001  -0.00019  -0.00016  -0.00034   1.88151
   A145       1.59536   0.00000  -0.00029  -0.00005  -0.00030   1.59506
   A146       1.84725   0.00000  -0.00035  -0.00043  -0.00079   1.84646
   A147       1.49619  -0.00003  -0.00218  -0.00159  -0.00373   1.49247
   A148       1.70188  -0.00006  -0.00126  -0.00193  -0.00321   1.69866
   A149       2.12213  -0.00011  -0.00113  -0.00184  -0.00292   2.11921
   A150       2.30235  -0.00010  -0.00170  -0.00293  -0.00461   2.29774
   A151       1.50199  -0.00003   0.00005  -0.00144  -0.00148   1.50051
   A152       1.54899   0.00003  -0.00020  -0.00112  -0.00130   1.54769
   A153       0.76423  -0.00001  -0.00039  -0.00035  -0.00074   0.76349
   A154       0.77507   0.00000  -0.00051  -0.00059  -0.00110   0.77397
   A155       2.79589   0.00001  -0.00045  -0.00019  -0.00065   2.79524
   A156       2.41897   0.00000  -0.00034  -0.00030  -0.00064   2.41833
   A157       2.13117   0.00001  -0.00038  -0.00023  -0.00059   2.13058
   A158       1.83786  -0.00001  -0.00050  -0.00019  -0.00065   1.83721
   A159       2.16167   0.00000  -0.00035  -0.00032  -0.00067   2.16100
   A160       1.35471   0.00000  -0.00140  -0.00089  -0.00226   1.35245
   A161       1.65236  -0.00004  -0.00066  -0.00129  -0.00194   1.65041
   A162       2.05421  -0.00009  -0.00069  -0.00134  -0.00199   2.05222
   A163       2.31392  -0.00009  -0.00096  -0.00200  -0.00289   2.31103
   A164       1.57461  -0.00002   0.00031  -0.00081  -0.00057   1.57404
   A165       1.70327   0.00005  -0.00009  -0.00065  -0.00067   1.70260
   A166       2.11610   0.00002   0.00004   0.00032   0.00035   2.11645
   A167       1.82675   0.00001   0.00005   0.00014   0.00018   1.82693
   A168       1.43793   0.00002  -0.00004   0.00018   0.00014   1.43807
   A169       1.16165   0.00000  -0.00019   0.00009  -0.00006   1.16159
   A170       1.84996   0.00002  -0.00011   0.00007  -0.00005   1.84991
   A171       2.11652  -0.00001  -0.00170  -0.00112  -0.00275   2.11376
   A172       2.39855  -0.00005  -0.00129  -0.00186  -0.00316   2.39539
   A173       2.81526  -0.00010  -0.00117  -0.00178  -0.00291   2.81235
   A174       2.18477  -0.00002  -0.00009  -0.00152  -0.00170   2.18306
   A175       2.14658   0.00003  -0.00015  -0.00109  -0.00128   2.14530
   A176       2.20542   0.00001   0.00029   0.00069   0.00097   2.20639
   A177       1.99673   0.00001   0.00020   0.00046   0.00066   1.99738
   A178       1.58526   0.00001   0.00005   0.00048   0.00054   1.58580
   A179       1.34045   0.00000  -0.00012   0.00030   0.00021   1.34066
   A180       2.10410   0.00002  -0.00004   0.00029   0.00024   2.10434
   A181       2.03684   0.00001  -0.00104  -0.00076  -0.00172   2.03512
   A182       2.40079  -0.00003  -0.00087  -0.00156  -0.00238   2.39842
   A183       2.72092  -0.00007  -0.00050  -0.00109  -0.00159   2.71934
   A184       2.33376  -0.00001  -0.00019  -0.00153  -0.00181   2.33195
   A185       2.37585   0.00004  -0.00035  -0.00124  -0.00159   2.37425
   A186       0.68845   0.00000   0.00001   0.00011   0.00010   0.68855
   A187       0.97878   0.00002   0.00012   0.00011   0.00018   0.97896
   A188       0.69716   0.00001  -0.00006   0.00005  -0.00001   0.69715
   A189       2.03364  -0.00002   0.00100   0.00037   0.00141   2.03505
   A190       1.67561   0.00002   0.00041   0.00076   0.00117   1.67677
   A191       1.32347   0.00007   0.00075   0.00104   0.00176   1.32523
   A192       1.02853   0.00006   0.00059   0.00116   0.00171   1.03024
   A193       1.62114   0.00000  -0.00035   0.00018  -0.00009   1.62105
   A194       1.41136  -0.00006   0.00005   0.00014   0.00010   1.41146
   A195       0.66626   0.00001   0.00026   0.00007   0.00029   0.66654
   A196       2.22160  -0.00003  -0.00016  -0.00038  -0.00045   2.22115
   A197       1.82502   0.00000  -0.00018   0.00020   0.00000   1.82501
   A198       1.56434   0.00006   0.00041   0.00077   0.00116   1.56550
   A199       1.26209   0.00005  -0.00002   0.00044   0.00037   1.26245
   A200       1.62565  -0.00001  -0.00032  -0.00030  -0.00058   1.62507
   A201       1.35574  -0.00005   0.00020  -0.00015  -0.00012   1.35562
   A202       0.71103   0.00001   0.00022   0.00008   0.00029   0.71132
   A203       2.62805  -0.00003  -0.00046  -0.00064  -0.00087   2.62718
   A204       2.23012   0.00000  -0.00016   0.00001  -0.00015   2.22997
   A205       1.97350   0.00007   0.00063   0.00086   0.00146   1.97496
   A206       1.67040   0.00005   0.00022   0.00061   0.00080   1.67120
   A207       1.97288   0.00000  -0.00009  -0.00062  -0.00069   1.97220
   A208       1.68432  -0.00004   0.00039  -0.00037  -0.00010   1.68422
   A209       0.83449   0.00002   0.00026   0.00028   0.00051   0.83500
   A210       2.73715  -0.00004  -0.00194  -0.00151  -0.00322   2.73393
   A211       2.38393   0.00000  -0.00058  -0.00042  -0.00104   2.38289
   A212       2.22147   0.00007   0.00056   0.00071   0.00122   2.22269
   A213       1.92306   0.00005   0.00008   0.00031   0.00032   1.92338
   A214       2.03584   0.00000  -0.00001  -0.00076  -0.00077   2.03506
   A215       1.74746  -0.00002   0.00044  -0.00034  -0.00004   1.74743
   A216       1.93860  -0.00005  -0.00110  -0.00122  -0.00226   1.93634
   A217       1.55412  -0.00002  -0.00066  -0.00053  -0.00123   1.55288
   A218       1.43194   0.00002   0.00000   0.00006   0.00008   1.43202
   A219       1.16581   0.00001  -0.00072  -0.00082  -0.00158   1.16422
   A220       1.26187  -0.00002  -0.00030  -0.00069  -0.00097   1.26091
   A221       0.97437  -0.00005   0.00031  -0.00041  -0.00036   0.97401
   A222       0.71178  -0.00009   0.00057  -0.00060  -0.00013   0.71165
   A223       1.00544  -0.00008   0.00039  -0.00079  -0.00032   1.00512
   A224       0.70257  -0.00003  -0.00139  -0.00067  -0.00214   0.70042
   A225       0.99273  -0.00001  -0.00203  -0.00102  -0.00272   0.99001
   A226       0.66390  -0.00005  -0.00022  -0.00061  -0.00079   0.66311
   A227       0.66730  -0.00001  -0.00147  -0.00054  -0.00194   0.66537
   A228       0.70335  -0.00005  -0.00110  -0.00010  -0.00110   0.70224
   A229       0.83220  -0.00006  -0.00104  -0.00026  -0.00117   0.83103
   A230       0.80131  -0.00007  -0.00177  -0.00151  -0.00319   0.79812
   A231       0.81071  -0.00010  -0.00179  -0.00183  -0.00363   0.80709
   A232       1.68312  -0.00002  -0.00023  -0.00083  -0.00105   1.68207
   A233       1.80254   0.00010   0.00635   0.00057   0.00691   1.80945
   A234       2.19176  -0.00001   0.00014   0.00010   0.00020   2.19196
   A235       2.12931  -0.00002  -0.00032  -0.00012  -0.00043   2.12888
   A236       1.96188   0.00003   0.00021   0.00003   0.00027   1.96215
   A237       2.12306   0.00000   0.00016   0.00003   0.00018   2.12325
   A238       2.12267  -0.00001   0.00015   0.00012   0.00030   2.12297
   A239       2.03686   0.00001  -0.00016  -0.00018  -0.00034   2.03652
   A240       1.74686   0.00000   0.00069   0.00048   0.00117   1.74803
   A241       2.61877  -0.00002  -0.00106  -0.00061  -0.00166   2.61710
   A242       1.91202   0.00000   0.00039  -0.00003   0.00035   1.91237
   A243       1.91374   0.00001  -0.00086   0.00019  -0.00066   1.91309
   A244       1.92328   0.00000   0.00099  -0.00010   0.00092   1.92420
   A245       1.90878  -0.00001  -0.00014  -0.00010  -0.00024   1.90854
   A246       1.91043   0.00002   0.00013   0.00014   0.00026   1.91069
   A247       1.89544  -0.00001  -0.00053  -0.00010  -0.00065   1.89480
   A248       1.36575   0.00001   0.00099   0.00052   0.00150   1.36725
   A249       1.90793   0.00001  -0.00002   0.00003   0.00000   1.90793
   A250       1.90781   0.00002   0.00037  -0.00006   0.00031   1.90812
   A251       1.92941  -0.00001  -0.00044  -0.00006  -0.00050   1.92891
   A252       1.91026   0.00000   0.00036   0.00005   0.00041   1.91068
   A253       1.89530   0.00000  -0.00004  -0.00004  -0.00008   1.89522
   A254       1.91300  -0.00001  -0.00022   0.00009  -0.00013   1.91286
   A255       1.71596  -0.00001  -0.00037  -0.00023  -0.00060   1.71536
   A256       1.78236   0.00001   0.00058   0.00025   0.00083   1.78319
   A257       2.19002  -0.00002  -0.00003  -0.00001  -0.00004   2.18998
   A258       2.13021   0.00000   0.00002  -0.00001   0.00001   2.13021
   A259       1.96276   0.00002   0.00002   0.00002   0.00003   1.96279
   A260       2.12247   0.00000  -0.00010  -0.00001  -0.00010   2.12237
   A261       2.12448   0.00002   0.00026  -0.00002   0.00021   2.12469
   A262       2.03619  -0.00002  -0.00015   0.00003  -0.00011   2.03608
   A263       1.33774  -0.00003  -0.00077  -0.00186  -0.00264   1.33510
   A264       1.89981  -0.00001  -0.00024  -0.00016  -0.00037   1.89944
   A265       1.93191   0.00000  -0.00009   0.00013   0.00002   1.93194
   A266       1.90983  -0.00001   0.00008   0.00003   0.00010   1.90992
   A267       1.89855  -0.00001   0.00007   0.00005   0.00012   1.89867
   A268       1.91285   0.00001   0.00016  -0.00011   0.00005   1.91290
   A269       1.91076   0.00002   0.00002   0.00006   0.00008   1.91084
   A270       2.63349   0.00002   0.00026   0.00049   0.00075   2.63424
   A271       1.73110  -0.00001  -0.00025  -0.00046  -0.00071   1.73040
   A272       1.92303   0.00002  -0.00015   0.00006  -0.00010   1.92292
   A273       1.91572   0.00003  -0.00014  -0.00007  -0.00020   1.91552
   A274       1.91425  -0.00002  -0.00009   0.00006  -0.00002   1.91423
   A275       1.89451   0.00001   0.00022  -0.00006   0.00015   1.89466
   A276       1.91038   0.00000   0.00010   0.00001   0.00011   1.91050
   A277       1.90574  -0.00003   0.00007   0.00000   0.00006   1.90580
   A278       1.81962   0.00001   0.00155  -0.00062   0.00091   1.82053
   A279       1.75533  -0.00005  -0.00037  -0.00022  -0.00057   1.75476
   A280       2.18911   0.00000  -0.00006   0.00003  -0.00001   2.18909
   A281       2.13051   0.00002  -0.00003  -0.00006  -0.00009   2.13042
   A282       1.96350  -0.00002   0.00009   0.00002   0.00010   1.96360
   A283       2.12100  -0.00002  -0.00029   0.00020  -0.00008   2.12092
   A284       2.11481  -0.00001   0.00003  -0.00031  -0.00029   2.11452
   A285       2.04289   0.00003   0.00017   0.00018   0.00035   2.04323
   A286       2.69814   0.00002  -0.00021  -0.00066  -0.00088   2.69726
   A287       1.66118  -0.00001  -0.00001   0.00069   0.00069   1.66187
   A288       1.92646   0.00000   0.00049   0.00000   0.00051   1.92696
   A289       1.91449   0.00000   0.00000   0.00014   0.00010   1.91459
   A290       1.91192   0.00001   0.00017  -0.00008   0.00009   1.91201
   A291       1.89150   0.00000  -0.00066  -0.00001  -0.00065   1.89085
   A292       1.91259  -0.00001  -0.00002  -0.00004  -0.00006   1.91253
   A293       1.90667   0.00000   0.00002   0.00000   0.00001   1.90667
   A294       1.34134  -0.00001  -0.00126  -0.00183  -0.00309   1.33825
   A295       1.15722   0.00003   0.00134   0.00151   0.00283   1.16005
   A296       1.93358   0.00001   0.00020  -0.00010   0.00008   1.93366
   A297       1.90748   0.00000   0.00046  -0.00026   0.00019   1.90767
   A298       1.90038   0.00000  -0.00043   0.00013  -0.00023   1.90015
   A299       1.90952  -0.00001  -0.00006  -0.00015  -0.00021   1.90931
   A300       1.89933  -0.00001   0.00018   0.00024   0.00041   1.89973
   A301       1.91345   0.00001  -0.00037   0.00016  -0.00024   1.91321
   A302       1.73534   0.00006   0.00418  -0.00260   0.00122   1.73656
   A303       1.73077  -0.00011  -0.00440   0.00499   0.00045   1.73122
   A304       2.19733   0.00002   0.00028  -0.00066   0.00017   2.19750
   A305       2.12692   0.00005   0.00064   0.00035   0.00000   2.12692
   A306       1.95873  -0.00007  -0.00094   0.00032  -0.00019   1.95854
   A307       2.13183  -0.00010   0.00158  -0.00070   0.00081   2.13264
   A308       2.11732   0.00007  -0.00097   0.00038  -0.00079   2.11653
   A309       2.03352   0.00003  -0.00026   0.00030   0.00022   2.03374
   A310       1.53772  -0.00012  -0.00471  -0.00739  -0.01238   1.52533
   A311       2.81797   0.00014   0.00338   0.00727   0.01126   2.82923
   A312       1.90748   0.00003  -0.00007  -0.00042  -0.00105   1.90643
   A313       1.91985  -0.00006  -0.00069   0.00048   0.00171   1.92155
   A314       1.91487  -0.00003  -0.00181  -0.00037  -0.00154   1.91333
   A315       1.91565  -0.00002   0.00147  -0.00027   0.00069   1.91634
   A316       1.91839  -0.00004   0.00055  -0.00063  -0.00010   1.91829
   A317       1.88755   0.00012   0.00055   0.00123   0.00031   1.88786
   A318       1.68032  -0.00003   0.00141  -0.00009   0.00147   1.68179
   A319       1.91426  -0.00005  -0.00014   0.00011  -0.00064   1.91363
   A320       1.92060  -0.00019  -0.00220  -0.00037  -0.00143   1.91917
   A321       1.92210   0.00005   0.00136  -0.00027   0.00092   1.92303
   A322       1.90314   0.00012   0.00070  -0.00039   0.00029   1.90342
   A323       1.91174   0.00000  -0.00119   0.00051  -0.00061   1.91113
   A324       1.89173   0.00008   0.00147   0.00042   0.00148   1.89322
   A325       2.91671   0.00001   0.00014   0.00081   0.00095   2.91766
   A326       3.32741   0.00004   0.00178   0.00237   0.00419   3.33160
   A327       3.04494   0.00004   0.00190   0.00240   0.00433   3.04927
   A328       3.27874   0.00000   0.00077   0.00061   0.00137   3.28011
   A329       3.24850  -0.00001  -0.00076  -0.00180  -0.00256   3.24593
   A330       3.25086  -0.00001  -0.00131  -0.00198  -0.00330   3.24756
   A331       3.59207  -0.00003   0.00022   0.00042   0.00086   3.59293
   A332       3.21542   0.00000   0.00004  -0.00023  -0.00019   3.21523
   A333       3.10528  -0.00009  -0.00075  -0.00185  -0.00256   3.10273
   A334       3.05549  -0.00008  -0.00114  -0.00215  -0.00325   3.05224
   A335       3.23085   0.00000   0.00069   0.00034   0.00102   3.23187
   A336       3.07709   0.00000   0.00060   0.00047   0.00106   3.07815
   A337       3.10380   0.00001   0.00098   0.00095   0.00192   3.10572
   A338       3.02970   0.00001   0.00597  -0.00016   0.00569   3.03539
    D1        2.74621  -0.00001   0.00091   0.00028   0.00120   2.74741
    D2       -1.35412  -0.00001   0.00244   0.00001   0.00246  -1.35166
    D3        2.73040   0.00000   0.00079   0.00057   0.00138   2.73177
    D4       -1.36993   0.00000   0.00232   0.00031   0.00264  -1.36729
    D5        1.62503  -0.00002   0.00007   0.00052   0.00061   1.62564
    D6       -2.47531  -0.00002   0.00160   0.00025   0.00188  -2.47343
    D7        1.78089  -0.00002   0.00029   0.00038   0.00069   1.78158
    D8       -2.31944  -0.00002   0.00182   0.00012   0.00196  -2.31749
    D9        0.24684   0.00002   0.00135   0.00127   0.00262   0.24946
   D10        2.42969   0.00001   0.00288   0.00100   0.00388   2.43357
   D11       -0.02259   0.00000   0.00090   0.00097   0.00188  -0.02071
   D12        2.16027   0.00000   0.00243   0.00071   0.00315   2.16341
   D13       -0.48502   0.00000   0.00075   0.00080   0.00156  -0.48346
   D14        1.69783   0.00000   0.00228   0.00053   0.00283   1.70066
   D15       -0.60676   0.00000   0.00083   0.00112   0.00197  -0.60480
   D16        1.57609   0.00000   0.00236   0.00085   0.00323   1.57932
   D17        0.15834  -0.00001   0.00045   0.00079   0.00126   0.15960
   D18        2.34119  -0.00001   0.00198   0.00052   0.00253   2.34372
   D19        0.10855  -0.00001   0.00005   0.00048   0.00057   0.10912
   D20        2.29140  -0.00001   0.00159   0.00022   0.00183   2.29324
   D21        2.29383   0.00001   0.00051   0.00122   0.00175   2.29558
   D22       -1.80650   0.00001   0.00204   0.00096   0.00301  -1.80348
   D23        2.04075   0.00000   0.00064   0.00123   0.00189   2.04263
   D24       -2.05958   0.00000   0.00217   0.00096   0.00315  -2.05643
   D25        1.60379   0.00001   0.00062   0.00115   0.00180   1.60559
   D26       -2.49654   0.00000   0.00215   0.00089   0.00307  -2.49348
   D27        1.29674  -0.00001   0.00064   0.00112   0.00181   1.29856
   D28       -2.80359  -0.00001   0.00217   0.00085   0.00308  -2.80051
   D29        2.23066   0.00000   0.00048   0.00161   0.00211   2.23277
   D30       -1.86967   0.00000   0.00202   0.00134   0.00337  -1.86629
   D31       -1.95697   0.00000   0.00205   0.00189   0.00394  -1.95303
   D32        0.22588   0.00000   0.00358   0.00163   0.00520   0.23109
   D33       -2.27522   0.00003   0.00114   0.00225   0.00340  -2.27183
   D34       -0.09237   0.00003   0.00267   0.00198   0.00466  -0.08771
   D35       -2.66487   0.00009   0.00139   0.00238   0.00375  -2.66112
   D36       -0.48201   0.00009   0.00292   0.00212   0.00502  -0.47700
   D37       -2.94695   0.00008   0.00120   0.00263   0.00382  -2.94313
   D38       -0.76409   0.00007   0.00273   0.00237   0.00509  -0.75901
   D39       -2.23283   0.00000  -0.00033   0.00173   0.00153  -2.23130
   D40       -0.04998   0.00000   0.00120   0.00146   0.00279  -0.04719
   D41       -2.46200  -0.00010   0.00007   0.00146   0.00115  -2.46085
   D42       -0.27914  -0.00010   0.00160   0.00120   0.00241  -0.27673
   D43        1.32674   0.00000   0.00097  -0.00042   0.00054   1.32729
   D44       -1.98026   0.00000  -0.00172  -0.00020  -0.00193  -1.98219
   D45        2.48130   0.00000   0.00033  -0.00012   0.00022   2.48152
   D46       -0.82570   0.00000  -0.00237   0.00011  -0.00225  -0.82796
   D47        2.94383   0.00000   0.00037  -0.00013   0.00025   2.94408
   D48       -0.36317   0.00000  -0.00232   0.00009  -0.00222  -0.36540
   D49        2.83065   0.00001   0.00069   0.00141   0.00211   2.83276
   D50       -0.47635   0.00002  -0.00200   0.00163  -0.00036  -0.47671
   D51        2.02084   0.00001   0.00080   0.00125   0.00206   2.02289
   D52       -1.28617   0.00001  -0.00189   0.00147  -0.00041  -1.28658
   D53        1.15618   0.00000   0.00065   0.00037   0.00101   1.15719
   D54       -2.15082   0.00000  -0.00205   0.00059  -0.00146  -2.15229
   D55        1.03743   0.00001   0.00079   0.00057   0.00136   1.03879
   D56       -2.26958   0.00001  -0.00190   0.00079  -0.00111  -2.27068
   D57        2.02573  -0.00001   0.00042   0.00046   0.00089   2.02661
   D58       -1.28128  -0.00001  -0.00228   0.00068  -0.00158  -1.28286
   D59        1.85443  -0.00001   0.00023  -0.00001   0.00023   1.85467
   D60       -1.45257  -0.00001  -0.00246   0.00021  -0.00224  -1.45481
   D61       -2.31231   0.00001   0.00046   0.00052   0.00099  -2.31132
   D62        0.66387   0.00001  -0.00223   0.00074  -0.00148   0.66239
   D63       -2.43414   0.00000   0.00044   0.00039   0.00083  -2.43331
   D64        0.54204   0.00000  -0.00226   0.00061  -0.00164   0.54040
   D65       -2.83378  -0.00001   0.00022   0.00039   0.00063  -2.83316
   D66        0.14240  -0.00001  -0.00248   0.00061  -0.00184   0.14055
   D67       -3.00878  -0.00002   0.00012   0.00025   0.00041  -3.00837
   D68       -0.03260  -0.00002  -0.00257   0.00047  -0.00206  -0.03466
   D69       -2.14725   0.00000   0.00038   0.00044   0.00083  -2.14642
   D70        0.82893   0.00000  -0.00231   0.00066  -0.00164   0.82729
   D71       -0.20584  -0.00004   0.00001  -0.00027  -0.00026  -0.20611
   D72        2.77033  -0.00004  -0.00269  -0.00005  -0.00273   2.76760
   D73       -0.60396   0.00000   0.00009   0.00040   0.00048  -0.60348
   D74        2.37222   0.00000  -0.00260   0.00063  -0.00199   2.37023
   D75       -0.83362   0.00006   0.00079   0.00124   0.00203  -0.83159
   D76        2.14256   0.00006  -0.00190   0.00146  -0.00044   2.14212
   D77       -1.16357   0.00006   0.00051   0.00117   0.00166  -1.16191
   D78        1.81261   0.00006  -0.00218   0.00139  -0.00081   1.81180
   D79       -0.83281  -0.00001   0.00005  -0.00016  -0.00004  -0.83285
   D80        2.14337  -0.00001  -0.00264   0.00006  -0.00251   2.14086
   D81       -1.13178  -0.00006   0.00058  -0.00009   0.00035  -1.13142
   D82        1.84440  -0.00006  -0.00211   0.00013  -0.00212   1.84229
   D83       -1.49976  -0.00001  -0.00016   0.00035   0.00020  -1.49957
   D84       -2.59531   0.00000   0.00040   0.00032   0.00072  -2.59459
   D85       -2.95432   0.00000   0.00064   0.00041   0.00104  -2.95327
   D86        0.71455   0.00001   0.00062   0.00116   0.00177   0.71633
   D87        0.29635   0.00001   0.00067   0.00113   0.00180   0.29815
   D88       -0.08361   0.00001   0.00078   0.00130   0.00207  -0.08155
   D89       -0.41220   0.00001   0.00088   0.00127   0.00214  -0.41006
   D90        0.17861  -0.00001   0.00052   0.00086   0.00139   0.18000
   D91       -0.04740  -0.00001   0.00045   0.00062   0.00108  -0.04633
   D92        2.36132   0.00002   0.00041   0.00111   0.00150   2.36282
   D93        2.01795   0.00001   0.00052   0.00096   0.00147   2.01943
   D94        1.62061   0.00001   0.00038   0.00099   0.00138   1.62199
   D95        1.33606  -0.00001   0.00025   0.00089   0.00118   1.33725
   D96        2.02798   0.00001   0.00047   0.00098   0.00144   2.02942
   D97       -2.03840  -0.00002   0.00129   0.00112   0.00230  -2.03611
   D98       -2.52408   0.00000   0.00022   0.00110   0.00126  -2.52282
   D99       -2.76205   0.00005   0.00072   0.00143   0.00213  -2.75991
   D100      -3.05876   0.00003  -0.00002   0.00062   0.00058  -3.05818
   D101      -2.89876  -0.00003  -0.00005  -0.00030  -0.00024  -2.89900
   D102       2.86403  -0.00006   0.00059  -0.00035   0.00032   2.86435
   D103      -2.87381  -0.00002  -0.00138  -0.00080  -0.00216  -2.87597
   D104       1.21990  -0.00002  -0.00146  -0.00079  -0.00222   1.21768
   D105       2.86437  -0.00001  -0.00040  -0.00123  -0.00163   2.86275
   D106       0.67490  -0.00001  -0.00047  -0.00122  -0.00169   0.67321
   D107       2.37724  -0.00001  -0.00053  -0.00184  -0.00237   2.37487
   D108       0.18777  -0.00001  -0.00060  -0.00183  -0.00243   0.18534
   D109       1.79061  -0.00001  -0.00005  -0.00125  -0.00131   1.78931
   D110      -0.39886  -0.00001  -0.00013  -0.00123  -0.00137  -0.40023
   D111       2.62281   0.00000  -0.00031  -0.00081  -0.00112   2.62169
   D112       0.43334   0.00000  -0.00038  -0.00080  -0.00118   0.43215
   D113       2.29359   0.00000  -0.00028  -0.00070  -0.00098   2.29261
   D114       0.10411   0.00000  -0.00036  -0.00068  -0.00104   0.10307
   D115      -1.60988   0.00001  -0.00005  -0.00005  -0.00010  -1.60999
   D116       2.48383   0.00001  -0.00013  -0.00003  -0.00017   2.48366
   D117      -1.77555   0.00001  -0.00032  -0.00056  -0.00090  -1.77645
   D118       2.31817   0.00001  -0.00040  -0.00055  -0.00096   2.31720
   D119      -2.73517   0.00002   0.00004  -0.00004  -0.00001  -2.73518
   D120       1.35854   0.00002  -0.00003  -0.00003  -0.00007   1.35847
   D121      -2.71173   0.00001   0.00018   0.00014   0.00031  -2.71142
   D122       1.38198   0.00001   0.00010   0.00016   0.00025   1.38223
   D123       1.38017   0.00000  -0.00033  -0.00082  -0.00116   1.37900
   D124      -0.80931   0.00000  -0.00041  -0.00081  -0.00123  -0.81053
   D125       1.34478   0.00001  -0.00027  -0.00080  -0.00108   1.34370
   D126      -0.84469   0.00001  -0.00034  -0.00079  -0.00114  -0.84583
   D127       1.69850   0.00002   0.00000  -0.00078  -0.00081   1.69769
   D128      -0.49097   0.00002  -0.00008  -0.00077  -0.00087  -0.49184
   D129       1.82060   0.00003   0.00015  -0.00048  -0.00037   1.82023
   D130      -0.36887   0.00003   0.00007  -0.00047  -0.00043  -0.36930
   D131       0.93990   0.00000  -0.00028  -0.00093  -0.00122   0.93869
   D132      -1.24957   0.00000  -0.00036  -0.00091  -0.00128  -1.25085
   D133      -0.88354   0.00005   0.00043   0.00018   0.00059  -0.88296
   D134      -3.07302   0.00005   0.00035   0.00019   0.00053  -3.07249
   D135      -0.43213   0.00000  -0.00011  -0.00098  -0.00107  -0.43320
   D136      -2.62160   0.00000  -0.00019  -0.00097  -0.00114  -2.62274
   D137      -0.05918  -0.00010  -0.00110  -0.00202  -0.00308  -0.06226
   D138      -2.24865  -0.00010  -0.00118  -0.00201  -0.00314  -2.25180
   D139       0.33508  -0.00010  -0.00126  -0.00271  -0.00395   0.33113
   D140      -1.85439  -0.00010  -0.00133  -0.00269  -0.00401  -1.85840
   D141      -0.26559   0.00001   0.00006  -0.00067  -0.00068  -0.26627
   D142      -2.45506   0.00001  -0.00002  -0.00066  -0.00074  -2.45581
   D143      -0.01589   0.00006  -0.00044  -0.00078  -0.00110  -0.01699
   D144      -2.20536   0.00006  -0.00052  -0.00077  -0.00116  -2.20652
   D145      -2.48214  -0.00001  -0.00001   0.00078   0.00077  -2.48137
   D146      -2.71092  -0.00001   0.00040   0.00035   0.00075  -2.71017
   D147      -2.36558  -0.00001   0.00016   0.00029   0.00045  -2.36513
   D148       3.03077  -0.00002   0.00028   0.00012   0.00039   3.03116
   D149       2.66124  -0.00002   0.00012  -0.00023  -0.00012   2.66112
   D150       1.52152   0.00000   0.00053   0.00095   0.00147   1.52298
   D151       2.61926   0.00002   0.00062   0.00083   0.00141   2.62066
   D152       2.98326   0.00001   0.00069   0.00100   0.00166   2.98492
   D153       1.27543  -0.00002   0.00019  -0.00025  -0.00008   1.27535
   D154       1.30536  -0.00001   0.00032   0.00013   0.00043   1.30578
   D155       1.68329   0.00000   0.00057   0.00021   0.00075   1.68404
   D156       1.74727   0.00001   0.00066   0.00059   0.00122   1.74848
   D157       0.93976  -0.00001   0.00041   0.00021   0.00060   0.94036
   D158      -0.99245   0.00005   0.00207   0.00193   0.00399  -0.98845
   D159      -0.65095   0.00002   0.00148   0.00138   0.00292  -0.64803
   D160      -0.63661  -0.00001   0.00094   0.00093   0.00183  -0.63478
   D161      -0.33086  -0.00001   0.00160   0.00174   0.00348  -0.32739
   D162      -0.28802   0.00001   0.00065   0.00134   0.00196  -0.28605
   D163       0.00025   0.00003   0.00019   0.00096   0.00128   0.00153
   D164      -1.26540  -0.00003  -0.00242  -0.00116  -0.00357  -1.26896
   D165       1.69662  -0.00002  -0.00120  -0.00078  -0.00195   1.69466
   D166      -1.62561  -0.00002  -0.00164  -0.00142  -0.00305  -1.62866
   D167       1.33640  -0.00002  -0.00041  -0.00104  -0.00144   1.33496
   D168      -1.68990  -0.00001  -0.00175  -0.00172  -0.00347  -1.69337
   D169       1.27212  -0.00001  -0.00053  -0.00134  -0.00186   1.27025
   D170      -1.96970  -0.00001  -0.00152  -0.00186  -0.00340  -1.97310
   D171       0.99231  -0.00001  -0.00029  -0.00148  -0.00179   0.99053
   D172      -1.97906  -0.00002  -0.00165  -0.00138  -0.00303  -1.98209
   D173       0.98295  -0.00002  -0.00042  -0.00100  -0.00142   0.98154
   D174      -2.27929  -0.00002  -0.00169  -0.00151  -0.00320  -2.28249
   D175       0.68272  -0.00002  -0.00046  -0.00113  -0.00159   0.68113
   D176       1.97920   0.00000  -0.00140  -0.00063  -0.00204   1.97716
   D177      -1.34197   0.00000  -0.00018  -0.00025  -0.00043  -1.34240
   D178       0.83214   0.00001  -0.00133  -0.00075  -0.00210   0.83003
   D179      -2.48903   0.00001  -0.00010  -0.00037  -0.00049  -2.48953
   D180       0.36492   0.00000  -0.00148  -0.00108  -0.00260   0.36232
   D181      -2.95625   0.00000  -0.00026  -0.00070  -0.00099  -2.95724
   D182      -3.06977   0.00000  -0.00192  -0.00149  -0.00343  -3.07320
   D183      -0.10775   0.00000  -0.00069  -0.00111  -0.00182  -0.10958
   D184       2.94686  -0.00001  -0.00173  -0.00145  -0.00319   2.94367
   D185      -0.37431  -0.00001  -0.00050  -0.00107  -0.00158  -0.37589
   D186       3.08962   0.00000  -0.00145  -0.00134  -0.00281   3.08682
   D187      -0.23155   0.00000  -0.00023  -0.00096  -0.00120  -0.23274
   D188       2.98699   0.00000  -0.00141  -0.00099  -0.00240   2.98459
   D189      -0.33419   0.00000  -0.00019  -0.00061  -0.00078  -0.33497
   D190       2.50429  -0.00002  -0.00177  -0.00152  -0.00330   2.50100
   D191      -0.81688  -0.00002  -0.00055  -0.00113  -0.00168  -0.81857
   D192       0.27532   0.00005   0.00107   0.00110   0.00227   0.27759
   D193      -3.04585   0.00005   0.00230   0.00148   0.00388  -3.04197
   D194       0.64305   0.00003   0.00012   0.00040   0.00070   0.64376
   D195      -2.67812   0.00003   0.00134   0.00079   0.00231  -2.67581
   D196       0.52432   0.00001   0.00058   0.00085   0.00120   0.52552
   D197      -2.79686   0.00001   0.00181   0.00123   0.00281  -2.79404
   D198       1.11947   0.00000  -0.00132  -0.00047  -0.00180   1.11767
   D199      -2.20171   0.00000  -0.00009  -0.00009  -0.00019  -2.20190
   D200       1.46932   0.00004  -0.00180  -0.00113  -0.00290   1.46641
   D201      -1.85186   0.00004  -0.00058  -0.00075  -0.00129  -1.85315
   D202       1.64715   0.00001   0.00087  -0.00053   0.00033   1.64749
   D203      -0.57304   0.00001   0.00041  -0.00010   0.00031  -0.57273
   D204       1.68622   0.00002   0.00068  -0.00018   0.00050   1.68672
   D205      -0.53397   0.00002   0.00022   0.00026   0.00047  -0.53350
   D206       1.33204   0.00002   0.00089  -0.00003   0.00086   1.33290
   D207      -0.88815   0.00002   0.00042   0.00041   0.00084  -0.88731
   D208       1.17136   0.00002   0.00098  -0.00009   0.00089   1.17225
   D209      -1.04883   0.00002   0.00052   0.00035   0.00086  -1.04797
   D210       2.10303   0.00003   0.00071   0.00003   0.00074   2.10376
   D211      -0.11717   0.00003   0.00024   0.00046   0.00071  -0.11646
   D212       2.21614   0.00004   0.00076   0.00046   0.00122   2.21736
   D213      -0.00405   0.00004   0.00030   0.00090   0.00120  -0.00286
   D214      -2.23808   0.00002   0.00084  -0.00022   0.00063  -2.23745
   D215       1.82491   0.00002   0.00038   0.00022   0.00060   1.82551
   D216      -2.42508   0.00002   0.00099   0.00010   0.00110  -2.42398
   D217       1.63791   0.00002   0.00053   0.00054   0.00108   1.63899
   D218      -2.07401   0.00003   0.00103   0.00057   0.00162  -2.07239
   D219       1.98898   0.00003   0.00057   0.00101   0.00159   1.99057
   D220      -2.27326   0.00002   0.00090   0.00044   0.00134  -2.27192
   D221       1.78973   0.00003   0.00044   0.00088   0.00132   1.79105
   D222      -2.90431   0.00000   0.00108   0.00011   0.00121  -2.90309
   D223       1.15869   0.00000   0.00062   0.00055   0.00119   1.15988
   D224       3.05024  -0.00001   0.00120   0.00012   0.00133   3.05157
   D225       0.83005  -0.00001   0.00074   0.00055   0.00131   0.83136
   D226      -2.71046  -0.00001   0.00034  -0.00015   0.00021  -2.71025
   D227       1.35254  -0.00001  -0.00012   0.00029   0.00018   1.35272
   D228      -2.65347  -0.00001   0.00047  -0.00045   0.00002  -2.65345
   D229       1.40952   0.00000   0.00001  -0.00002   0.00000   1.40952
   D230      -1.55782   0.00001   0.00077  -0.00014   0.00064  -1.55718
   D231       2.50517   0.00001   0.00031   0.00030   0.00062   2.50579
   D232       0.04301  -0.00005  -0.00229  -0.00253  -0.00471   0.03831
   D233      -2.17718  -0.00005  -0.00275  -0.00210  -0.00473  -2.18191
   D234      -0.13935  -0.00004  -0.00081  -0.00189  -0.00275  -0.14210
   D235      -2.35954  -0.00004  -0.00127  -0.00145  -0.00277  -2.36231
   D236       0.09223  -0.00005  -0.00011  -0.00132  -0.00138   0.09085
   D237      -2.12797  -0.00004  -0.00057  -0.00089  -0.00140  -2.12937
   D238       0.01597  -0.00006  -0.00107  -0.00293  -0.00403   0.01194
   D239      -2.20422  -0.00006  -0.00153  -0.00250  -0.00406  -2.20828
   D240      -0.55071  -0.00002   0.00068  -0.00157  -0.00094  -0.55164
   D241      -2.77090  -0.00002   0.00022  -0.00113  -0.00096  -2.77186
   D242      -0.75415   0.00000   0.00098  -0.00104  -0.00017  -0.75432
   D243      -2.97434   0.00000   0.00052  -0.00060  -0.00019  -2.97454
   D244      -2.90184   0.00001   0.00217  -0.00001   0.00217  -2.89967
   D245       0.01657   0.00001  -0.00032   0.00013  -0.00018   0.01639
   D246      -3.11829   0.00001   0.00256   0.00017   0.00272  -3.11558
   D247      -0.19988   0.00001   0.00006   0.00031   0.00036  -0.19951
   D248       2.76036   0.00002   0.00270   0.00016   0.00285   2.76321
   D249      -0.60441   0.00002   0.00020   0.00030   0.00050  -0.60392
   D250       2.52354   0.00001   0.00279   0.00010   0.00289   2.52643
   D251      -0.84123   0.00001   0.00030   0.00024   0.00054  -0.84069
   D252      -2.91676   0.00002   0.00257   0.00043   0.00301  -2.91375
   D253       0.00166   0.00002   0.00008   0.00057   0.00066   0.00232
   D254      -3.08879   0.00003   0.00259   0.00074   0.00334  -3.08545
   D255      -0.17037   0.00003   0.00010   0.00088   0.00099  -0.16939
   D256      -0.66525   0.00002   0.00281   0.00029   0.00309  -0.66215
   D257       2.25317   0.00002   0.00032   0.00043   0.00074   2.25391
   D258      -0.92694   0.00002   0.00282   0.00050   0.00332  -0.92362
   D259       1.99147   0.00002   0.00033   0.00064   0.00096   1.99244
   D260      -0.77959   0.00002   0.00280   0.00079   0.00360  -0.77599
   D261       2.13882   0.00002   0.00031   0.00093   0.00125   2.14007
   D262      -0.99651   0.00001   0.00263   0.00056   0.00319  -0.99332
   D263       1.92190   0.00001   0.00013   0.00070   0.00084   1.92274
   D264      -1.33365   0.00001   0.00288   0.00054   0.00343  -1.33022
   D265       1.58477   0.00001   0.00039   0.00068   0.00107   1.58584
   D266      -1.58031   0.00000   0.00299   0.00070   0.00369  -1.57662
   D267       1.33810   0.00000   0.00050   0.00084   0.00134   1.33944
   D268       1.97488   0.00000   0.00224   0.00028   0.00252   1.97741
   D269      -1.38989   0.00000  -0.00025   0.00042   0.00017  -1.38972
   D270       0.85731   0.00000   0.00253   0.00032   0.00284   0.86015
   D271      -2.50746   0.00000   0.00003   0.00047   0.00049  -2.50698
   D272       1.21436  -0.00005  -0.00295  -0.00401  -0.00679   1.20757
   D273      -2.15041  -0.00005  -0.00544  -0.00387  -0.00914  -2.15955
   D274       1.22781  -0.00005   0.00071  -0.00217  -0.00152   1.22629
   D275      -2.13696  -0.00005  -0.00178  -0.00203  -0.00387  -2.14083
   D276       1.61692  -0.00006   0.00159  -0.00120   0.00044   1.61736
   D277      -1.74785  -0.00006  -0.00090  -0.00106  -0.00191  -1.74977
   D278       1.62030  -0.00006   0.00092  -0.00234  -0.00145   1.61885
   D279      -1.74447  -0.00006  -0.00158  -0.00220  -0.00381  -1.74828
   D280       0.84948  -0.00001   0.00276  -0.00114   0.00153   0.85101
   D281      -2.51529  -0.00001   0.00027  -0.00100  -0.00083  -2.51612
   D282       0.80480   0.00004   0.00270  -0.00053   0.00215   0.80696
   D283      -2.55997   0.00004   0.00021  -0.00038  -0.00020  -2.56017
   D284       1.63063   0.00001   0.00169  -0.00018   0.00152   1.63214
   D285      -2.58190   0.00001   0.00133   0.00039   0.00173  -2.58017
   D286       1.64620   0.00001   0.00153   0.00037   0.00189   1.64809
   D287      -2.56633   0.00001   0.00117   0.00094   0.00211  -2.56421
   D288       1.30075   0.00002   0.00172   0.00059   0.00232   1.30307
   D289      -2.91178   0.00002   0.00136   0.00117   0.00254  -2.90924
   D290       1.22131   0.00002   0.00171   0.00058   0.00230   1.22361
   D291      -2.99122   0.00001   0.00135   0.00115   0.00252  -2.98870
   D292       2.02536   0.00002   0.00159   0.00060   0.00221   2.02757
   D293      -2.18717   0.00002   0.00123   0.00118   0.00242  -2.18474
   D294       2.00977   0.00003   0.00166   0.00091   0.00258   2.01234
   D295      -2.20276   0.00002   0.00130   0.00149   0.00280  -2.19997
   D296      -2.31253   0.00001   0.00161   0.00025   0.00187  -2.31065
   D297      -0.24187   0.00001   0.00125   0.00083   0.00209  -0.23978
   D298      -2.30494   0.00002   0.00167   0.00058   0.00226  -2.30268
   D299      -0.23429   0.00002   0.00131   0.00115   0.00248  -0.23181
   D300      -1.92338   0.00002   0.00165   0.00076   0.00242  -1.92097
   D301       0.14727   0.00002   0.00129   0.00133   0.00263   0.14991
   D302      -1.87889   0.00002   0.00138   0.00051   0.00191  -1.87699
   D303       0.19177   0.00002   0.00102   0.00109   0.00212   0.19389
   D304      -2.65732   0.00002   0.00185   0.00081   0.00268  -2.65464
   D305      -0.58666   0.00002   0.00149   0.00139   0.00289  -0.58377
   D306      -2.80254   0.00001   0.00211   0.00120   0.00332  -2.79922
   D307      -0.73188   0.00001   0.00175   0.00178   0.00354  -0.72835
   D308       1.53366   0.00001   0.00163   0.00042   0.00206   1.53572
   D309      -2.67887   0.00000   0.00127   0.00099   0.00228  -2.67659
   D310       2.63024   0.00000   0.00152   0.00051   0.00202   2.63226
   D311      -1.58229   0.00000   0.00115   0.00108   0.00224  -1.58005
   D312       3.01358   0.00001   0.00159   0.00026   0.00181   3.01539
   D313      -1.19895   0.00001   0.00123   0.00083   0.00203  -1.19692
   D314      -0.32628  -0.00002  -0.00117  -0.00154  -0.00269  -0.32898
   D315       1.74437  -0.00002  -0.00153  -0.00096  -0.00248   1.74190
   D316      -0.22106  -0.00004   0.00015  -0.00141  -0.00129  -0.22235
   D317       1.84960  -0.00004  -0.00021  -0.00083  -0.00107   1.84853
   D318       0.18276  -0.00008   0.00047  -0.00114  -0.00061   0.18216
   D319       2.25342  -0.00008   0.00011  -0.00057  -0.00039   2.25303
   D320       0.33397  -0.00009  -0.00009  -0.00231  -0.00237   0.33161
   D321       2.40463  -0.00009  -0.00045  -0.00173  -0.00215   2.40248
   D322      -0.51891  -0.00001   0.00172  -0.00091   0.00075  -0.51816
   D323       1.55174  -0.00002   0.00136  -0.00033   0.00097   1.55271
   D324      -0.57442   0.00004   0.00180  -0.00053   0.00118  -0.57324
   D325       1.49624   0.00004   0.00144   0.00004   0.00140   1.49764
   D326      -0.04666  -0.00003   0.00278   0.00052   0.00328  -0.04339
   D327       2.12922   0.00000   0.00204   0.00165   0.00380   2.13302
   D328       0.29027  -0.00003   0.00196   0.00044   0.00240   0.29267
   D329       2.46616   0.00000   0.00122   0.00157   0.00293   2.46909
   D330       0.64753  -0.00004   0.00204   0.00059   0.00258   0.65010
   D331       2.82341  -0.00001   0.00130   0.00172   0.00310   2.82652
   D332       0.93162  -0.00004   0.00189   0.00064   0.00245   0.93407
   D333       3.10750   0.00000   0.00115   0.00177   0.00298   3.11048
   D334       0.29793  -0.00003   0.00157   0.00013   0.00175   0.29968
   D335       2.47382   0.00000   0.00082   0.00126   0.00227   2.47609
   D336       0.65518  -0.00001   0.00238   0.00074   0.00310   0.65828
   D337       2.83106   0.00002   0.00164   0.00187   0.00362   2.83469
   D338      -2.44095  -0.00007   0.00163  -0.00027   0.00131  -2.43964
   D339      -0.26507  -0.00003   0.00089   0.00086   0.00184  -0.26323
   D340      -2.03756  -0.00006   0.00134  -0.00049   0.00072  -2.03684
   D341       0.13832  -0.00003   0.00060   0.00064   0.00125   0.13957
   D342      -1.99009  -0.00004   0.00196  -0.00007   0.00177  -1.98832
   D343       0.18579  -0.00001   0.00122   0.00106   0.00230   0.18809
   D344      -1.70315  -0.00003   0.00240   0.00044   0.00270  -1.70045
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   D346      -1.63972  -0.00007   0.00058  -0.00112  -0.00076  -1.64048
   D347       0.53616  -0.00003  -0.00016   0.00001  -0.00023   0.53593
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   D349       0.85154  -0.00002  -0.00025  -0.00001  -0.00031   0.85123
   D350       1.69620  -0.00002   0.00361   0.00135   0.00478   1.70097
   D351      -2.41111   0.00001   0.00287   0.00248   0.00531  -2.40580
   D352       2.08514  -0.00001   0.00426   0.00198   0.00608   2.09122
   D353      -2.02217   0.00003   0.00352   0.00311   0.00661  -2.01556
   D354       2.20764   0.00001   0.00688   0.00406   0.01072   2.21836
   D355      -1.89966   0.00004   0.00614   0.00519   0.01125  -1.88841
   D356       2.83456   0.00000   0.00652   0.00330   0.01018   2.84473
   D357      -1.27275   0.00004   0.00578   0.00443   0.01070  -1.26204
   D358       2.45459  -0.00003   0.00308   0.00104   0.00408   2.45867
   D359      -1.65272   0.00001   0.00234   0.00217   0.00461  -1.64811
   D360       1.62311  -0.00003   0.00054  -0.00051  -0.00021   1.62290
   D361      -2.48419   0.00000  -0.00020   0.00062   0.00032  -2.48387
   D362       1.72363   0.00000   0.00240   0.00179   0.00413   1.72776
   D363      -2.38367   0.00003   0.00166   0.00292   0.00466  -2.37902
   D364       2.74072  -0.00003  -0.00084   0.00025  -0.00047   2.74025
   D365      -1.36658   0.00000  -0.00158   0.00138   0.00006  -1.36653
   D366       2.69964  -0.00010   0.00057   0.00014   0.00064   2.70028
   D367      -1.40766  -0.00007  -0.00017   0.00127   0.00116  -1.40650
   D368       0.03538   0.00002   0.00118  -0.00082   0.00031   0.03569
   D369      -2.84080   0.00002   0.00340   0.00650   0.00983  -2.83097
   D370       0.42665   0.00002   0.00038  -0.00055  -0.00020   0.42645
   D371      -2.44952   0.00002   0.00260   0.00677   0.00932  -2.44021
   D372       0.59601   0.00004   0.00056  -0.00001   0.00053   0.59654
   D373      -2.28017   0.00004   0.00279   0.00732   0.01005  -2.27011
   D374       0.87940   0.00004   0.00019  -0.00011   0.00006   0.87946
   D375      -1.99678   0.00003   0.00241   0.00721   0.00958  -1.98720
   D376       0.71301   0.00000   0.00027  -0.00085  -0.00060   0.71241
   D377      -2.16317   0.00000   0.00250   0.00647   0.00892  -2.15424
   D378       1.03701   0.00001   0.00040  -0.00058  -0.00020   1.03680
   D379      -1.83917   0.00001   0.00262   0.00674   0.00932  -1.82985
   D380      -2.86507   0.00008   0.00089  -0.00001   0.00081  -2.86426
   D381       0.54194   0.00008   0.00311   0.00731   0.01033   0.55227
   D382      -2.30012   0.00005   0.00011  -0.00069  -0.00057  -2.30070
   D383       1.10688   0.00005   0.00233   0.00664   0.00895   1.11583
   D384      -1.98947   0.00001  -0.00017  -0.00137  -0.00154  -1.99101
   D385       1.41754   0.00000   0.00205   0.00596   0.00798   1.42552
   D386      -1.63264  -0.00001  -0.00028  -0.00146  -0.00174  -1.63438
   D387       1.77437  -0.00001   0.00194   0.00586   0.00778   1.78215
   D388      -1.75700  -0.00001  -0.00183  -0.00283  -0.00447  -1.76147
   D389       1.65000  -0.00001   0.00040   0.00449   0.00505   1.65506
   D390      -0.99298  -0.00014  -0.00287  -0.00514  -0.00800  -1.00098
   D391       2.41403  -0.00014  -0.00064   0.00218   0.00152   2.41555
   D392       1.78037  -0.00001   0.00025  -0.00101  -0.00076   1.77961
   D393      -1.09581  -0.00001   0.00247   0.00632   0.00876  -1.08705
   D394       2.07548   0.00001   0.00035  -0.00069  -0.00036   2.07512
   D395      -0.80070   0.00000   0.00258   0.00663   0.00916  -0.79154
   D396       2.01203   0.00002   0.00062  -0.00010   0.00048   2.01250
   D397      -0.86415   0.00002   0.00284   0.00722   0.01000  -0.85415
   D398       2.19427   0.00006   0.00109   0.00018   0.00118   2.19545
   D399      -0.68191   0.00006   0.00331   0.00750   0.01070  -0.67121
   D400       2.48303   0.00000   0.00025  -0.00088  -0.00065   2.48238
   D401      -0.39315  -0.00001   0.00248   0.00644   0.00887  -0.38427
   D402      -1.42866  -0.00002  -0.00238  -0.00270  -0.00528  -1.43394
   D403       1.97835  -0.00002  -0.00015   0.00462   0.00424   1.98259
   D404      -2.54439  -0.00007  -0.00046  -0.00207  -0.00252  -2.54690
   D405       0.86262  -0.00007   0.00176   0.00526   0.00700   0.86963
   D406      -2.92356  -0.00014  -0.00018  -0.00170  -0.00193  -2.92549
   D407       0.48345  -0.00014   0.00204   0.00562   0.00759   0.49103
   D408       1.79569   0.00002   0.00181   0.00140   0.00316   1.79885
   D409       2.28303   0.00002   0.00092   0.00196   0.00284   2.28588
   D410       2.49838   0.00002   0.00083   0.00226   0.00308   2.50146
   D411       2.74449   0.00002   0.00057   0.00224   0.00283   2.74732
   D412       2.70256   0.00004   0.00110   0.00277   0.00379   2.70635
   D413      -3.10837   0.00005   0.00095   0.00347   0.00442  -3.10394
   D414      -0.86873   0.00000   0.00051   0.00146   0.00200  -0.86673
   D415      -0.49052   0.00001   0.00041   0.00141   0.00185  -0.48867
   D416      -0.17544   0.00001   0.00041   0.00146   0.00188  -0.17356
   D417       0.13333   0.00001   0.00030   0.00142   0.00174   0.13507
   D418      -0.36048   0.00001   0.00043   0.00127   0.00171  -0.35877
   D419      -0.04176   0.00001   0.00040   0.00090   0.00130  -0.04047
   D420      -2.66669   0.00000   0.00075   0.00172   0.00251  -2.66418
   D421      -2.28768   0.00001   0.00062   0.00182   0.00248  -2.28520
   D422      -2.05520   0.00001   0.00056   0.00229   0.00292  -2.05228
   D423      -1.73920   0.00002   0.00069   0.00219   0.00290  -1.73630
   D424      -2.06057   0.00000   0.00071   0.00129   0.00202  -2.05855
   D425       1.36113   0.00000  -0.00303   0.00072  -0.00209   1.35903
   D426       2.49954  -0.00009  -0.00020   0.00027   0.00014   2.49967
   D427       2.92176  -0.00003   0.00134   0.00170   0.00314   2.92490
   D428      -3.08796   0.00000   0.00013   0.00105   0.00117  -3.08679
   D429       0.01541   0.00002   0.00609   0.00001   0.00609   0.02151
   D430       0.03066   0.00007   0.00188   0.00121   0.00308   0.03375
   D431       3.13404   0.00009   0.00784   0.00016   0.00800  -3.14114
   D432      -0.00575   0.00003   0.00581  -0.00136   0.00444  -0.00130
   D433       2.08914   0.00002   0.00535  -0.00139   0.00396   2.09310
   D434      -2.10861   0.00001   0.00478  -0.00145   0.00332  -2.10529
   D435      -3.11092   0.00001   0.00011  -0.00037  -0.00026  -3.11117
   D436      -1.01603   0.00000  -0.00035  -0.00040  -0.00074  -1.01677
   D437       1.06941  -0.00001  -0.00092  -0.00046  -0.00138   1.06803
   D438      -2.37272  -0.00002  -0.00499   0.00167  -0.00332  -2.37604
   D439      -0.28214  -0.00001  -0.00434   0.00171  -0.00263  -0.28477
   D440       1.82506  -0.00001  -0.00466   0.00174  -0.00291   1.82215
   D441       0.73245   0.00000   0.00070   0.00068   0.00138   0.73383
   D442       2.82303   0.00001   0.00135   0.00072   0.00207   2.82510
   D443      -1.35295   0.00001   0.00103   0.00075   0.00178  -1.35116
   D444      -0.01100   0.00000  -0.00087   0.00006  -0.00081  -0.01181
   D445       3.12001  -0.00001   0.00009   0.00006   0.00016   3.12017
   D446      -3.13156   0.00000  -0.00089   0.00009  -0.00081  -3.13237
   D447      -0.00056  -0.00001   0.00008   0.00008   0.00016  -0.00039
   D448       2.44347   0.00002   0.00147   0.00171   0.00318   2.44665
   D449      -1.75389   0.00001   0.00136   0.00175   0.00311  -1.75077
   D450       0.35342   0.00002   0.00137   0.00192   0.00329   0.35671
   D451      -0.68805   0.00002   0.00055   0.00172   0.00226  -0.68579
   D452       1.39778   0.00001   0.00043   0.00175   0.00219   1.39997
   D453      -2.77809   0.00003   0.00045   0.00193   0.00236  -2.77573
   D454       2.07587  -0.00001  -0.00098  -0.00076  -0.00174   2.07413
   D455      -2.12194   0.00003  -0.00088  -0.00084  -0.00175  -2.12369
   D456      -0.02819  -0.00001  -0.00095  -0.00085  -0.00181  -0.03000
   D457      -1.07581  -0.00001  -0.00006  -0.00076  -0.00082  -1.07663
   D458       1.00956   0.00002   0.00004  -0.00084  -0.00082   1.00874
   D459       3.10331  -0.00001  -0.00002  -0.00086  -0.00088   3.10243
   D460      -3.06711   0.00000   0.00131  -0.00074   0.00058  -3.06653
   D461      -0.03015   0.00001   0.00032   0.00007   0.00039  -0.02977
   D462       0.08702   0.00003   0.00069  -0.00003   0.00067   0.08769
   D463       3.12398   0.00004  -0.00031   0.00078   0.00047   3.12445
   D464       1.91157   0.00000  -0.00030   0.00118   0.00089   1.91246
   D465      -2.28860   0.00000  -0.00082   0.00125   0.00046  -2.28814
   D466      -0.19591   0.00001  -0.00069   0.00128   0.00059  -0.19532
   D467      -1.12951  -0.00001   0.00066   0.00044   0.00111  -1.12840
   D468       0.95351  -0.00001   0.00014   0.00051   0.00069   0.95419
   D469       3.04620   0.00000   0.00027   0.00054   0.00081   3.04701
   D470      -1.60891   0.00001   0.00315   0.00164   0.00480  -1.60412
   D471       0.49639   0.00000   0.00351   0.00121   0.00471   0.50110
   D472       2.58611   0.00001   0.00308   0.00133   0.00439   2.59050
   D473       1.43255   0.00002   0.00217   0.00241   0.00459   1.43713
   D474      -2.74533   0.00001   0.00253   0.00199   0.00450  -2.74083
   D475      -0.65562   0.00002   0.00210   0.00210   0.00418  -0.65143
   D476       0.01270  -0.00015  -0.00345   0.00217  -0.00121   0.01149
   D477      -3.09342  -0.00016  -0.01357   0.00281  -0.01074  -3.10415
   D478       3.13248  -0.00011  -0.00471   0.00279  -0.00204   3.13044
   D479       0.02636  -0.00012  -0.01483   0.00343  -0.01157   0.01479
   D480      -0.13354  -0.00008  -0.00665  -0.00793  -0.01464  -0.14817
   D481       1.97075  -0.00013  -0.00532  -0.00823  -0.01339   1.95737
   D482      -2.23810  -0.00003  -0.00617  -0.00666  -0.01291  -2.25102
   D483       2.97419  -0.00007   0.00291  -0.00854  -0.00555   2.96864
   D484      -1.20471  -0.00012   0.00424  -0.00884  -0.00430  -1.20901
   D485       0.86963  -0.00002   0.00340  -0.00727  -0.00383   0.86579
   D486       0.00691   0.00003   0.00605   0.00281   0.00879   0.01570
   D487       2.10050   0.00002   0.00545   0.00216   0.00785   2.10835
   D488      -2.09826   0.00003   0.00675   0.00228   0.00936  -2.08890
   D489      -3.10112   0.00002  -0.00356   0.00344  -0.00024  -3.10136
   D490      -1.00753   0.00001  -0.00415   0.00279  -0.00118  -1.00870
   D491       1.07690   0.00002  -0.00286   0.00291   0.00034   1.07724
         Item               Value     Threshold  Converged?
 Maximum Force            0.000361     0.000450     YES
 RMS     Force            0.000044     0.000300     YES
 Maximum Displacement     0.027386     0.001800     NO 
 RMS     Displacement     0.003314     0.001200     NO 
 Predicted change in Energy=-2.436046D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:52:27 2016, MaxMem=  2952790016 cpu:         4.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.878559   -0.631647    1.702400
      2          6           0       -2.164184    0.990113   -1.429022
      3          8           0       -2.603964    0.009340   -2.052771
      4          7           0       -0.906129    1.107381   -0.921664
      5          1           0       -2.793071    1.875886   -1.208956
      6          6           0       -0.498754    2.276320   -0.140745
      7          1           0       -1.341895    2.975765   -0.058180
      8          1           0       -0.188482    1.957701    0.867640
      9          1           0        0.351980    2.781914   -0.626313
     10          6           0        0.093665    0.051637   -1.095404
     11          1           0        0.621598   -0.110219   -0.143051
     12          1           0       -0.407406   -0.876981   -1.398527
     13          1           0        0.831917    0.340772   -1.861831
     14          6           0       -1.965448   -4.067098    2.622205
     15          8           0       -2.134711   -3.920886    3.844848
     16          7           0       -2.878349   -3.771225    1.657678
     17          1           0       -1.012941   -4.445643    2.201627
     18          6           0       -4.204221   -3.244324    1.991127
     19          1           0       -4.472298   -2.466726    1.258547
     20          1           0       -4.962271   -4.044352    1.953276
     21          1           0       -4.181378   -2.808853    2.998815
     22          6           0       -2.582079   -3.951604    0.236349
     23          1           0       -3.279630   -4.680481   -0.207910
     24          1           0       -2.694696   -2.990671   -0.292649
     25          1           0       -1.550732   -4.311530    0.116105
     26          6           0        1.528846    0.357553    2.624718
     27          8           0        1.374959    1.371187    3.326730
     28          7           0        1.136875   -0.901376    2.960574
     29          1           0        2.004819    0.401058    1.625192
     30          6           0        1.443534   -2.050799    2.108812
     31          1           0        2.199652   -2.694573    2.589082
     32          1           0        0.532006   -2.647505    1.948264
     33          1           0        1.821669   -1.699269    1.139088
     34          6           0        0.504247   -1.178993    4.252945
     35          1           0        1.259257   -1.464104    5.005396
     36          1           0       -0.030942   -0.283688    4.594674
     37          1           0       -0.206107   -2.009413    4.130134
     38          6           0       -4.481490    1.441256    2.838061
     39          8           0       -4.656461    2.127986    1.818041
     40          7           0       -3.411183    1.515188    3.676699
     41          1           0       -5.205630    0.661449    3.150132
     42          6           0       -2.314964    2.462077    3.461051
     43          1           0       -2.439791    2.942490    2.483368
     44          1           0       -2.313065    3.226991    4.255635
     45          1           0       -1.352299    1.927850    3.496324
     46          6           0       -3.285948    0.622229    4.828264
     47          1           0       -4.144217   -0.063522    4.859069
     48          1           0       -2.357740    0.033608    4.748673
     49          1           0       -3.249221    1.207865    5.761376
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.538006   0.000000
     3  O    3.877936   1.242733   0.000000
     4  N    3.294775   1.361567   2.316838   0.000000
     5  H    3.949689   1.108387   2.057129   2.057592   0.000000
     6  C    3.709086   2.467315   3.636887   1.463628   2.562286
     7  H    4.049823   2.549153   3.790895   2.103890   2.154050
     8  H    3.202796   3.180295   4.261392   2.107052   3.332090
     9  H    4.695807   3.191547   4.296458   2.115215   3.324411
    10  C    3.490595   2.467776   2.862786   1.464367   3.416727
    11  H    3.150930   3.259606   3.750409   2.103030   4.091544
    12  H    3.440963   2.563833   2.457329   2.100909   3.647686
    13  H    4.582141   3.096060   3.457106   2.119530   3.990409
    14  C    3.557515   6.482848   6.235419   6.360534   7.119116
    15  O    3.933802   7.206420   7.102731   7.036513   7.718610
    16  N    3.295229   5.719099   5.304281   5.860329   6.333619
    17  H    3.942726   6.637350   6.362243   6.372003   7.400180
    18  C    3.509723   5.812885   5.431415   6.188626   6.200679
    19  H    3.208116   4.949763   4.537224   5.499556   5.269407
    20  H    4.606385   6.679451   6.167856   7.159463   7.053677
    21  H    3.424018   6.173084   5.995746   6.436948   6.448218
    22  C    3.696805   5.231507   4.574891   5.453726   6.007750
    23  H    4.690986   5.906858   5.084729   6.296213   6.650172
    24  H    3.195512   4.173659   3.479416   4.515380   4.953047
    25  H    4.020615   5.556183   4.948055   5.554915   6.448513
    26  C    3.666005   5.520091   6.251422   4.366712   5.973387
    27  O    4.151525   5.940363   6.828285   4.829265   6.180585
    28  N    3.278505   5.808896   6.321148   4.825012   6.367310
    29  H    4.019087   5.201518   5.909461   3.931791   5.764309
    30  C    3.635308   5.897376   6.159967   4.967776   6.661476
    31  H    4.655500   6.983204   7.206433   6.035401   7.761538
    32  H    3.151977   5.648696   5.735976   4.940030   6.440904
    33  H    3.892148   5.451145   5.717826   4.423219   6.292127
    34  C    3.533077   6.641558   7.129878   5.830372   7.073680
    35  H    4.631270   7.690570   8.180051   6.814064   8.136035
    36  H    3.449639   6.515996   7.134061   5.755954   6.780504
    37  H    3.254110   6.613277   6.932056   5.977048   7.091813
    38  C    3.515950   4.876622   5.430997   5.199059   4.406587
    39  O    3.917357   4.248484   4.866682   4.755271   3.563494
    40  N    3.294798   5.281960   5.978796   5.252289   4.937792
    41  H    3.851938   5.507002   5.853556   5.938357   5.128055
    42  C    3.585307   5.109034   6.041661   4.798771   4.730874
    43  H    3.701263   4.381157   5.404339   4.161008   3.859496
    44  H    4.647245   6.110737   7.087587   5.768591   5.649570
    45  H    3.169564   5.079128   6.003316   4.515623   4.921198
    46  C    3.650202   6.367678   6.941857   6.241841   6.185677
    47  H    3.926898   6.676134   7.081752   6.728528   6.512129
    48  H    3.154673   6.254301   6.805943   5.950872   6.251148
    49  H    4.662382   7.275063   7.931816   7.082598   7.017111
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098602   0.000000
     8  H    1.102101   1.795538   0.000000
     9  H    1.102338   1.797099   1.789782   0.000000
    10  C    2.492298   3.418653   2.750678   2.782299   0.000000
    11  H    2.636430   3.658661   2.440086   2.944601   1.100857
    12  H    3.396126   4.184908   3.635776   3.815822   1.097857
    13  H    2.911901   3.862875   3.332519   2.777773   1.102735
    14  C    7.072767   7.561428   6.521833   7.926683   5.918153
    15  O    7.547628   7.964043   6.870907   8.432227   6.719576
    16  N    6.743116   7.129287   6.378099   7.654756   5.570154
    17  H    7.136938   7.764807   6.592577   7.880218   5.685114
    18  C    6.982326   7.147172   6.667042   7.995343   6.233928
    19  H    6.343781   6.415131   6.170854   7.373912   5.721124
    20  H    8.016159   8.150774   7.745470   9.027372   7.185685
    21  H    7.019797   7.132299   6.573064   8.059130   6.574271
    22  C    6.577955   7.043667   6.406850   7.395482   4.995910
    23  H    7.492321   7.899072   7.401180   8.309693   5.878751
    24  H    5.708453   6.122369   5.666901   6.535772   4.204166
    25  H    6.676257   7.292370   6.459396   7.381630   4.817575
    26  C    3.929455   4.721666   2.932067   4.222765   3.999080
    27  O    4.043940   4.627480   2.972452   4.320091   4.789383
    28  N    4.731936   5.503580   3.783024   5.200812   4.295053
    29  H    3.592077   4.545695   2.794207   3.670099   3.343089
    30  C    5.249472   6.141727   4.502451   5.659286   4.063174
    31  H    6.280377   7.190499   5.505471   6.613968   5.054927
    32  H    5.447062   6.257674   4.784849   6.011610   4.091630
    33  H    4.777828   5.770401   4.181844   5.035636   3.323345
    34  C    5.678883   6.265465   4.666799   6.286424   5.503441
    35  H    6.600314   7.219295   5.561090   7.111116   6.393421
    36  H    5.403396   5.830238   4.351945   6.066568   5.701312
    37  H    6.057521   6.609386   5.136358   6.774368   5.625304
    38  C    5.043095   4.538721   4.751757   6.096039   6.191546
    39  O    4.598410   3.901959   4.571115   5.611325   5.946687
    40  N    4.861527   4.512711   4.297956   5.855075   6.099091
    41  H    5.965934   5.529717   5.662315   7.045917   6.817550
    42  C    4.038076   3.687238   3.391475   4.890954   5.689727
    43  H    3.331273   2.768745   2.940881   4.182091   5.251956
    44  H    4.850120   4.428914   4.195648   5.579783   6.671495
    45  H    3.752099   3.705770   2.874951   4.542040   5.166716
    46  C    5.932581   5.761580   5.202338   6.902982   6.843771
    47  H    6.615316   6.424142   5.971992   7.642101   7.309491
    48  H    5.691397   5.726610   4.844609   6.617117   6.337425
    49  H    6.598614   6.374213   5.820569   7.499923   7.715386
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795269   0.000000
    13  H    1.789366   1.798192   0.000000
    14  C    5.476891   5.363825   6.881943   0.000000
    15  O    6.166179   6.304119   7.715490   1.242934   0.000000
    16  N    5.375427   4.880840   6.562129   1.360604   2.314975
    17  H    5.192796   5.105206   6.544077   1.107904   2.057647
    18  C    6.137252   5.613365   7.284290   2.467250   2.859527
    19  H    5.784927   5.109860   6.764133   3.271857   3.777281
    20  H    7.145039   6.481791   8.207129   3.070657   3.404172
    21  H    6.342123   6.108323   7.660231   2.575920   2.478152
    22  C    5.016346   4.105524   5.872156   2.466958   3.636255
    23  H    6.009250   4.912622   6.697257   3.180073   4.279331
    24  H    4.395132   3.304897   5.098808   3.191687   4.277588
    25  H    4.736791   3.923956   5.588663   2.551915   3.794359
    26  C    2.949993   4.632456   4.540387   5.638052   5.763281
    27  O    3.847271   5.528032   5.317688   6.421028   6.371206
    28  N    3.244061   4.624626   4.989140   4.445300   4.539015
    29  H    2.302475   4.073707   3.679491   6.059824   6.382929
    30  C    3.084205   4.135850   4.675435   3.993769   4.394870
    31  H    4.078442   5.099158   5.558294   4.385542   4.676270
    32  H    3.289293   3.901059   4.851450   2.950714   3.511397
    33  H    2.368360   3.476266   3.761235   4.706219   5.282959
    34  C    4.525575   5.732491   6.309321   4.135197   3.827352
    35  H    5.361541   6.643245   7.113297   4.780575   4.347605
    36  H    4.785597   6.034250   6.543770   4.684777   4.268172
    37  H    4.748910   5.647036   6.519548   3.098902   2.730317
    38  C    6.110288   6.318312   7.178603   6.059622   5.939155
    39  O    6.059154   6.118055   6.845282   6.802006   6.859739
    40  N    5.787552   6.364202   7.075200   5.862083   5.586462
    41  H    6.737738   6.788226   7.853317   5.756444   5.559764
    42  C    5.313158   6.197062   6.537267   6.592112   6.397031
    43  H    5.058579   5.812750   6.029409   7.026991   7.003759
    44  H    6.252812   7.241800   7.459528   7.482825   7.161893
    45  H    4.614656   5.720093   5.999953   6.089288   5.911121
    46  C    6.365483   7.021863   7.860878   5.347916   4.788774
    47  H    6.909151   7.333688   8.372326   5.077324   4.466097
    48  H    5.729407   6.513144   7.346225   4.635898   4.062594
    49  H    7.182120   7.980395   8.690271   6.271181   5.587424
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056810   0.000000
    18  C    1.465179   3.416394   0.000000
    19  H    2.098022   4.095444   1.101452   0.000000
    20  H    2.122430   3.977427   1.102777   1.792100   0.000000
    21  H    2.103020   3.654255   1.097994   1.797281   1.797054
    22  C    1.463041   2.562925   2.492155   2.612026   2.936283
    23  H    2.113809   3.316458   2.784453   2.910956   2.811879
    24  H    2.108736   3.341654   2.749298   2.416732   3.360999
    25  H    2.104981   2.157917   3.419889   3.639234   3.883965
    26  C    6.115991   5.450722   6.800222   6.771758   7.871607
    27  O    6.879009   6.387756   7.363017   7.293652   8.448368
    28  N    5.104469   4.214206   5.912406   6.067128   6.934878
    29  H    6.422954   5.738437   7.209362   7.093071   8.271013
    30  C    4.673550   3.431932   5.773690   5.991078   6.710647
    31  H    5.273784   3.679283   6.455182   6.807140   7.315689
    32  H    3.602459   2.384188   4.773875   5.054845   5.669065
    33  H    5.162568   4.087367   6.278894   6.341709   7.223860
    34  C    4.989693   4.144968   5.617036   5.949007   6.586470
    35  H    5.800846   4.681194   6.488806   6.920611   7.394629
    36  H    5.375555   4.900292   5.741087   5.968337   6.740741
    37  H    4.044490   3.210192   4.699497   5.162900   5.612556
    38  C    5.579725   6.862321   4.769574   4.215125   5.577265
    39  O    6.163448   7.525621   5.394088   4.632313   6.181388
    40  N    5.683883   6.592336   5.111068   4.777977   6.023665
    41  H    5.224199   6.675379   4.195375   3.728452   4.861712
    42  C    6.513341   7.141288   6.188132   5.813623   7.184374
    43  H    6.778501   7.529926   6.452301   5.906852   7.447138
    44  H    7.486251   8.048514   7.112129   6.786991   8.074130
    45  H    6.179717   6.512512   6.095118   5.835610   7.147034
    46  C    5.433341   6.144031   4.882910   4.867438   5.731718
    47  H    5.059485   6.005820   4.283246   4.341289   4.995984
    48  H    4.929711   5.325375   4.664589   4.785814   5.588165
    49  H    6.462912   7.045205   5.911750   5.939193   6.709840
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390407   0.000000
    23  H    3.820893   1.102363   0.000000
    24  H    3.616216   1.102684   1.790192   0.000000
    25  H    4.181908   1.098946   1.797276   1.794548   0.000000
    26  C    6.540087   6.416607   7.518445   6.128616   6.130031
    27  O    6.960829   7.317151   8.413178   6.977664   7.152695
    28  N    5.650111   5.527740   6.620154   5.443303   5.190702
    29  H    7.103479   6.474117   7.556964   6.104701   6.093256
    30  C    5.745119   4.829569   5.881387   4.875994   4.248225
    31  H    6.395193   5.475439   6.464482   5.687415   4.774468
    32  H    4.831737   3.785348   4.828111   3.943483   3.234746
    33  H    6.381719   5.028016   6.060139   4.910717   4.386740
    34  C    5.117067   5.774584   6.817431   5.846181   5.581144
    35  H    5.952750   6.609639   7.623984   6.784794   6.317360
    36  H    5.113643   6.241547   7.276714   6.189447   6.212153
    37  H    4.209723   4.957713   5.949771   5.168844   4.818733
    38  C    4.263723   6.281689   6.942483   5.712789   7.006635
    39  O    5.098265   6.615605   7.235701   5.874026   7.349116
    40  N    4.444104   6.512238   7.313946   6.047466   7.077411
    41  H    3.621462   6.054206   6.597131   5.612086   6.877072
    42  C    5.610692   7.183687   8.087521   6.630755   7.593054
    43  H    6.031315   7.252440   8.127608   6.555429   7.682134
    44  H    6.442174   8.231601   9.131572   7.713096   8.634012
    45  H    5.539636   6.834309   7.817032   6.352180   7.098952
    46  C    3.990114   6.519285   7.313127   6.294948   7.039702
    47  H    3.316440   6.239151   6.909276   6.099960   6.875133
    48  H    3.803584   6.024394   6.902191   5.888525   6.402514
    49  H    4.963334   7.588882   8.384863   7.388262   8.075746
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242560   0.000000
    28  N    1.360641   2.314151   0.000000
    29  H    1.107924   2.057451   2.057403   0.000000
    30  C    2.464467   3.632907   1.463117   2.561354   0.000000
    31  H    3.125176   4.213626   2.117323   3.248073   1.103095
    32  H    3.237538   4.331353   2.107037   3.401072   1.101234
    33  H    2.554086   3.796448   2.103185   2.163611   1.098601
    34  C    2.462092   2.849461   1.465438   3.413702   2.497921
    35  H    3.009774   3.296996   2.124367   3.931981   2.961143
    36  H    2.593232   2.514527   2.101336   3.664836   3.387664
    37  H    3.298313   3.817549   2.097431   4.119867   2.609362
    38  C    6.110979   5.877219   6.088429   6.680215   6.916080
    39  O    6.484071   6.263139   6.636652   6.884193   7.399779
    40  N    5.181763   4.801079   5.199754   5.897715   6.224372
    41  H    6.761774   6.621108   6.534962   7.374539   7.256172
    42  C    4.461316   3.850144   4.845460   5.126275   6.026683
    43  H    4.738350   4.211006   5.272151   5.191330   6.336675
    44  H    5.064963   4.231831   5.533777   5.792172   6.824658
    45  H    3.395074   2.788650   3.806249   4.135513   5.056829
    46  C    5.301689   4.953745   5.036964   6.188764   6.075237
    47  H    6.111732   5.904892   5.674171   6.963077   6.537289
    48  H    4.440909   4.212372   4.035322   5.378018   5.075757
    49  H    5.778545   5.228500   5.615267   6.735272   6.781008
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787150   0.000000
    33  H    1.798884   1.793641   0.000000
    34  C    2.817768   2.732919   3.420875   0.000000
    35  H    2.870012   3.357884   3.914070   1.103409   0.000000
    36  H    3.848417   3.592773   4.168585   1.097623   1.796298
    37  H    2.938020   2.390090   3.626902   1.099674   1.791853
    38  C    7.861599   6.530303   7.244254   5.807339   6.789303
    39  O    8.417711   7.052834   7.554801   6.595284   7.619584
    40  N    7.098343   5.988676   6.644918   4.787616   5.696896
    41  H    8.149593   6.731578   7.681160   6.099683   7.053705
    42  C    6.908916   6.041654   6.310312   4.672519   5.529462
    43  H    7.301513   6.353422   6.443063   5.365202   6.281852
    44  H    7.629347   6.923012   7.146812   5.229719   5.943905
    45  H    5.899681   5.184686   5.365316   3.697528   4.539039
    46  C    6.790208   5.793301   6.714694   4.235679   5.004304
    47  H    7.233253   6.084145   7.218429   4.818702   5.583957
    48  H    5.733815   4.835421   5.787869   3.147558   3.923228
    49  H    7.415032   6.610702   7.451905   4.696912   5.295027
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795719   0.000000
    38  C    5.086109   5.644065   0.000000
    39  O    5.909424   6.501499   1.242036   0.000000
    40  N    3.937596   4.785491   1.361741   2.319666   0.000000
    41  H    5.455033   5.752316   1.108993   2.055914   2.055769
    42  C    3.747143   4.988905   2.474678   2.879880   1.464513
    43  H    4.546251   5.676489   2.558915   2.453508   2.098769
    44  H    4.200941   5.645791   3.146495   3.555444   2.114545
    45  H    2.800582   4.149399   3.234490   3.711358   2.107564
    46  C    3.386786   4.110760   2.461916   3.634150   1.462587
    47  H    4.127640   4.452701   2.542160   3.783246   2.104201
    48  H    2.353377   3.030850   3.184686   4.273071   2.110438
    49  H    3.734066   4.719362   3.180995   4.286821   2.113423
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419779   0.000000
    43  H    3.646586   1.096468   0.000000
    44  H    4.021328   1.102933   1.799425   0.000000
    45  H    4.070846   1.101529   1.799504   1.785327   0.000000
    46  C    2.550068   2.489401   3.405602   2.838871   2.686579
    47  H    2.138375   3.417494   4.193462   3.813754   3.690181
    48  H    3.325658   2.749047   3.687809   3.231528   2.483433
    49  H    3.308278   2.781614   3.795976   2.687101   3.040913
                   46         47         48         49
    46  C    0.000000
    47  H    1.099013   0.000000
    48  H    1.101989   1.792518   0.000000
    49  H    1.102278   1.797665   1.788627   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2145065      0.1889964      0.1853684
 Leave Link  202 at Mon Nov 14 00:52:27 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1846.5286530753 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1837123706 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.3449407047 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4050
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.60D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     227
 GePol: Fraction of low-weight points (<1% of avg)   =       5.60%
 GePol: Cavity surface area                          =    466.820 Ang**2
 GePol: Cavity volume                                =    458.196 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040007530 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.3409399517 Hartrees.
 Leave Link  301 at Mon Nov 14 00:52:27 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37508.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:52:29 2016, MaxMem=  2952790016 cpu:        15.2
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:52:29 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000106    0.002516   -0.000973
         Rot=    1.000000   -0.000177   -0.000055   -0.000116 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50920018403    
 Leave Link  401 at Mon Nov 14 00:52:36 2016, MaxMem=  2952790016 cpu:        79.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49207500.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.33D-15 for   2127.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.00D-14 for   2347    173.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for     31.
 Iteration    1 A^-1*A deviation from orthogonality  is 9.03D-11 for   3008   1349.
 E= -1013.45084843876    
 DIIS: error= 1.92D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45084843876     IErMin= 1 ErrMin= 1.92D-04
 ErrMax= 1.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.79D-05 BMatP= 6.79D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.92D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.22D-05 MaxDP=1.29D-03              OVMax= 2.68D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.22D-05    CP:  1.00D+00
 E= -1013.45096420820     Delta-E=       -0.000115769437 Rises=F Damp=F
 DIIS: error= 6.22D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45096420820     IErMin= 2 ErrMin= 6.22D-05
 ErrMax= 6.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-06 BMatP= 6.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.366D-01 0.963D+00
 Coeff:      0.366D-01 0.963D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.31D-05 MaxDP=6.28D-04 DE=-1.16D-04 OVMax= 1.28D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  1.00D+00  9.59D-01
 E= -1013.45095496243     Delta-E=        0.000009245769 Rises=F Damp=F
 DIIS: error= 1.66D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45096420820     IErMin= 2 ErrMin= 6.22D-05
 ErrMax= 1.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-05 BMatP= 2.10D-06
 IDIUse=3 WtCom= 4.37D-01 WtEn= 5.63D-01
 Coeff-Com:  0.297D-02 0.721D+00 0.276D+00
 Coeff-En:   0.000D+00 0.801D+00 0.199D+00
 Coeff:      0.130D-02 0.766D+00 0.233D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.93D-06 MaxDP=4.37D-04 DE= 9.25D-06 OVMax= 8.79D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.90D-06    CP:  1.00D+00  9.71D-01  4.31D-01
 E= -1013.45096594798     Delta-E=       -0.000010985552 Rises=F Damp=F
 DIIS: error= 1.84D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45096594798     IErMin= 4 ErrMin= 1.84D-05
 ErrMax= 1.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-07 BMatP= 2.10D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-03 0.253D+00 0.235D-01 0.724D+00
 Coeff:      0.124D-03 0.253D+00 0.235D-01 0.724D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.66D-06 MaxDP=8.33D-05 DE=-1.10D-05 OVMax= 1.20D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.30D-07    CP:  1.00D+00  9.78D-01  3.27D-01  8.00D-01
 E= -1013.45096609204     Delta-E=       -0.000000144055 Rises=F Damp=F
 DIIS: error= 4.06D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45096609204     IErMin= 5 ErrMin= 4.06D-06
 ErrMax= 4.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-08 BMatP= 1.69D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.438D-04 0.139D+00 0.820D-02 0.450D+00 0.403D+00
 Coeff:      0.438D-04 0.139D+00 0.820D-02 0.450D+00 0.403D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.86D-07 MaxDP=2.55D-05 DE=-1.44D-07 OVMax= 3.39D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.48D-07    CP:  1.00D+00  9.78D-01  3.29D-01  8.01D-01  8.07D-01
 E= -1013.45096610409     Delta-E=       -0.000000012055 Rises=F Damp=F
 DIIS: error= 7.45D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45096610409     IErMin= 6 ErrMin= 7.45D-07
 ErrMax= 7.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.40D-10 BMatP= 1.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-04 0.397D-01 0.154D-02 0.140D+00 0.194D+00 0.625D+00
 Coeff:     -0.154D-04 0.397D-01 0.154D-02 0.140D+00 0.194D+00 0.625D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.31D-08 MaxDP=4.97D-06 DE=-1.21D-08 OVMax= 4.68D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.79D-08    CP:  1.00D+00  9.78D-01  3.30D-01  8.07D-01  7.93D-01
                    CP:  8.38D-01
 E= -1013.45096610442     Delta-E=       -0.000000000332 Rises=F Damp=F
 DIIS: error= 3.25D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45096610442     IErMin= 7 ErrMin= 3.25D-07
 ErrMax= 3.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.68D-11 BMatP= 4.40D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.166D-04 0.104D-01 0.244D-03 0.395D-01 0.752D-01 0.353D+00
 Coeff-Com:  0.522D+00
 Coeff:     -0.166D-04 0.104D-01 0.244D-03 0.395D-01 0.752D-01 0.353D+00
 Coeff:      0.522D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.87D-08 MaxDP=1.54D-06 DE=-3.32D-10 OVMax= 1.52D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.85D-08    CP:  1.00D+00  9.78D-01  3.30D-01  8.07D-01  7.98D-01
                    CP:  8.45D-01  6.86D-01
 E= -1013.45096610453     Delta-E=       -0.000000000102 Rises=F Damp=F
 DIIS: error= 1.00D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45096610453     IErMin= 8 ErrMin= 1.00D-07
 ErrMax= 1.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.22D-12 BMatP= 6.68D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.870D-05 0.378D-02 0.801D-04 0.151D-01 0.327D-01 0.173D+00
 Coeff-Com:  0.318D+00 0.457D+00
 Coeff:     -0.870D-05 0.378D-02 0.801D-04 0.151D-01 0.327D-01 0.173D+00
 Coeff:      0.318D+00 0.457D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.01D-08 MaxDP=6.22D-07 DE=-1.02D-10 OVMax= 1.03D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.74D-09    CP:  1.00D+00  9.78D-01  3.30D-01  8.07D-01  8.00D-01
                    CP:  8.46D-01  6.92D-01  7.34D-01
 E= -1013.45096610453     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 6.31D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45096610453     IErMin= 9 ErrMin= 6.31D-08
 ErrMax= 6.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.38D-12 BMatP= 7.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.321D-05 0.759D-03 0.190D-04 0.338D-02 0.977D-02 0.614D-01
 Coeff-Com:  0.143D+00 0.385D+00 0.397D+00
 Coeff:     -0.321D-05 0.759D-03 0.190D-04 0.338D-02 0.977D-02 0.614D-01
 Coeff:      0.143D+00 0.385D+00 0.397D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.14D-09 MaxDP=2.79D-07 DE= 1.36D-12 OVMax= 4.50D-07

 Error on total polarization charges =  0.04265
 SCF Done:  E(RB97D) =  -1013.45096610     A.U. after    9 cycles
            NFock=  9  Conv=0.51D-08     -V/T= 2.0213
 KE= 9.923552924190D+02 PE=-6.024091164770D+03 EE= 2.171943966295D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:54:23 2016, MaxMem=  2952790016 cpu:      1225.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37508.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     365
 Leave Link  701 at Mon Nov 14 00:54:31 2016, MaxMem=  2952790016 cpu:       100.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:54:31 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:55:08 2016, MaxMem=  2952790016 cpu:       438.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.55903316D+00-2.81106872D+00 3.47859291D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000423945    0.001079330   -0.000544177
      2        6          -0.000006914    0.000008654   -0.000047188
      3        8           0.000029661    0.000025981    0.000016979
      4        7           0.000099767    0.000001443   -0.000029811
      5        1           0.000052391    0.000008982    0.000074410
      6        6           0.000121346    0.000048470    0.000116126
      7        1           0.000031445   -0.000017756    0.000023983
      8        1           0.000066406   -0.000014270    0.000088271
      9        1           0.000011669   -0.000027299   -0.000041198
     10        6           0.000092945   -0.000135521   -0.000003066
     11        1           0.000016272   -0.000136003    0.000031187
     12        1           0.000003776    0.000011384    0.000025485
     13        1           0.000031481    0.000014011    0.000036505
     14        6          -0.000012070    0.000009433    0.000032285
     15        8          -0.000028882   -0.000003944   -0.000025590
     16        7          -0.000079134    0.000026924    0.000041604
     17        1          -0.000021980   -0.000002116   -0.000018341
     18        6          -0.000015608    0.000038638    0.000009354
     19        1          -0.000040626    0.000061031    0.000012216
     20        1          -0.000018772    0.000018193   -0.000049910
     21        1          -0.000001231    0.000041116   -0.000021025
     22        6          -0.000116815    0.000016332    0.000028851
     23        1           0.000020965    0.000010145   -0.000066887
     24        1          -0.000038081   -0.000000991   -0.000003405
     25        1           0.000007185    0.000032681   -0.000017892
     26        6           0.000029217    0.000087003    0.000036142
     27        8          -0.000042080   -0.000006206    0.000062234
     28        7           0.000063003   -0.000083853    0.000056958
     29        1          -0.000049994   -0.000029659    0.000011962
     30        6           0.000013498   -0.000072671    0.000024094
     31        1           0.000013356    0.000022765    0.000020256
     32        1          -0.000121455   -0.000092028   -0.000042404
     33        1           0.000001616   -0.000002995    0.000023652
     34        6          -0.000098916   -0.000025944    0.000003748
     35        1          -0.000033976   -0.000032565    0.000032477
     36        1          -0.000008704   -0.000015855    0.000028226
     37        1          -0.000013438   -0.000018034    0.000021009
     38        6          -0.000011291    0.000065038   -0.000148982
     39        8           0.000283459    0.000092885    0.000317235
     40        7          -0.000218794    0.000109271    0.000097868
     41        1           0.000079874   -0.000049622   -0.000053674
     42        6          -0.000345609   -0.000631659    0.000001588
     43        1           0.000174794   -0.000007507   -0.000014851
     44        1          -0.000394482    0.000067380   -0.000069877
     45        1          -0.000322664   -0.000218854   -0.000003944
     46        6          -0.000143447   -0.000169120    0.000138621
     47        1          -0.000003579   -0.000108509    0.000015741
     48        1           0.000524878   -0.000040898   -0.000289332
     49        1          -0.000004409    0.000046790    0.000062487
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001079330 RMS     0.000154350
 Leave Link  716 at Mon Nov 14 00:55:08 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000328477 RMS     0.000041068
 Search for a local minimum.
 Step number  14 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .41068D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   10   11   12   13   14
 DE= -3.09D-05 DEPred=-2.44D-05 R= 1.27D+00
 TightC=F SS=  1.41D+00  RLast= 9.17D-02 DXNew= 2.2445D+00 2.7496D-01
 Trust test= 1.27D+00 RLast= 9.17D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00047   0.00235   0.00348   0.00368   0.00391
     Eigenvalues ---    0.00418   0.00548   0.00659   0.00731   0.00770
     Eigenvalues ---    0.00875   0.00888   0.00908   0.00991   0.01022
     Eigenvalues ---    0.01026   0.01055   0.01209   0.01272   0.01342
     Eigenvalues ---    0.01356   0.01391   0.01505   0.01531   0.01542
     Eigenvalues ---    0.01593   0.01774   0.01777   0.01833   0.01866
     Eigenvalues ---    0.01894   0.01942   0.02033   0.02110   0.02144
     Eigenvalues ---    0.02173   0.02239   0.02290   0.02687   0.02877
     Eigenvalues ---    0.02909   0.03368   0.03635   0.03717   0.04153
     Eigenvalues ---    0.04264   0.04570   0.05098   0.05308   0.05710
     Eigenvalues ---    0.05761   0.06057   0.06080   0.06228   0.06816
     Eigenvalues ---    0.06868   0.07300   0.07720   0.07746   0.07920
     Eigenvalues ---    0.08012   0.08107   0.08228   0.08443   0.08495
     Eigenvalues ---    0.08578   0.08687   0.08770   0.08842   0.08923
     Eigenvalues ---    0.09102   0.09160   0.09720   0.09882   0.10028
     Eigenvalues ---    0.10063   0.10087   0.10229   0.10507   0.10544
     Eigenvalues ---    0.10572   0.10663   0.10857   0.11305   0.11421
     Eigenvalues ---    0.11551   0.11623   0.11799   0.12769   0.13328
     Eigenvalues ---    0.13503   0.14467   0.14676   0.15305   0.15658
     Eigenvalues ---    0.16288   0.16981   0.22072   0.23149   0.23748
     Eigenvalues ---    0.24039   0.24646   0.25100   0.25747   0.26555
     Eigenvalues ---    0.26958   0.27945   0.28505   0.29277   0.29802
     Eigenvalues ---    0.29927   0.30137   0.32719   0.32734   0.32822
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33416   0.33424   0.33449   0.33492   0.33688
     Eigenvalues ---    0.33792   0.33830   0.33832   0.33889   0.33915
     Eigenvalues ---    0.33951   0.34000   0.34155   0.37165   0.39493
     Eigenvalues ---    0.40643   0.41733   0.85942   0.85991   0.86094
     Eigenvalues ---    0.87245
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    14   13   12   11   10
 RFO step:  Lambda=-5.75801987D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.93D-05 SmlDif=  1.00D-05
 RMS Error=  0.2578341060D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.79468   -1.17894    0.68549   -1.04795    0.74673
 Iteration  1 RMS(Cart)=  0.00742596 RMS(Int)=  0.00032722
 Iteration  2 RMS(Cart)=  0.00023183 RMS(Int)=  0.00004553
 Iteration  3 RMS(Cart)=  0.00000051 RMS(Int)=  0.00004553
 ITry= 1 IFail=0 DXMaxC= 8.27D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.68586  -0.00005   0.00524  -0.00493   0.00031   6.68617
    R2        6.22622  -0.00002   0.00179  -0.00140   0.00038   6.22661
    R3        7.00916  -0.00001   0.00481  -0.00013   0.00468   7.01383
    R4        6.05241   0.00001   0.00151   0.00020   0.00171   6.05412
    R5        6.59627  -0.00001  -0.00183  -0.00166  -0.00349   6.59278
    R6        5.95439  -0.00002  -0.00466  -0.00250  -0.00716   5.94724
    R7        6.72273  -0.00002   0.00105   0.00040   0.00145   6.72418
    R8        6.22708  -0.00003   0.00054   0.00013   0.00068   6.22776
    R9        6.63241  -0.00004  -0.00102  -0.00107  -0.00209   6.63032
   R10        6.06246  -0.00001   0.00457   0.00138   0.00596   6.06842
   R11        6.98595  -0.00001   0.00295   0.00071   0.00368   6.98963
   R12        6.03864   0.00002   0.00394   0.00150   0.00544   6.04408
   R13        6.92775  -0.00003   0.00235  -0.00106   0.00129   6.92903
   R14        6.19548   0.00000  -0.00101   0.00010  -0.00093   6.19454
   R15        6.86974   0.00001  -0.00035  -0.00009  -0.00045   6.86928
   R16        5.95637   0.00000  -0.00194  -0.00075  -0.00269   5.95369
   R17        6.67655   0.00002  -0.00387  -0.00092  -0.00480   6.67175
   R18        6.64418  -0.00010   0.00101   0.00468   0.00565   6.64983
   R19        6.22627   0.00003  -0.00124   0.00240   0.00114   6.22740
   R20        6.77525  -0.00022  -0.02891  -0.00494  -0.03402   6.74122
   R21        5.98961  -0.00022  -0.01028   0.00191  -0.00814   5.98147
   R22        6.89788   0.00007   0.03024   0.00153   0.03205   6.92994
   R23        5.96147  -0.00024   0.01602  -0.00005   0.01572   5.97719
   R24        2.34842   0.00000   0.00005  -0.00001   0.00004   2.34847
   R25        2.57299   0.00004  -0.00033   0.00008  -0.00024   2.57275
   R26        2.09455  -0.00001   0.00016   0.00004   0.00020   2.09475
   R27        2.76586   0.00001  -0.00033   0.00000  -0.00034   2.76552
   R28        2.76725   0.00004  -0.00023   0.00006  -0.00015   2.76710
   R29        2.07606  -0.00002   0.00003   0.00000   0.00003   2.07608
   R30        2.08267   0.00004  -0.00001  -0.00001  -0.00003   2.08264
   R31        2.08312   0.00000   0.00004   0.00000   0.00003   2.08315
   R32        2.08032   0.00001  -0.00004   0.00005   0.00000   2.08032
   R33        2.07465   0.00001  -0.00004   0.00001  -0.00002   2.07462
   R34        2.08387  -0.00001   0.00003  -0.00002   0.00001   2.08388
   R35        2.34880   0.00001   0.00005   0.00002   0.00007   2.34887
   R36        2.57117   0.00003  -0.00013  -0.00002  -0.00015   2.57102
   R37        2.09363  -0.00001   0.00001   0.00000   0.00001   2.09365
   R38        2.76879  -0.00001   0.00004   0.00004   0.00007   2.76886
   R39        2.76475   0.00002   0.00023  -0.00009   0.00012   2.76487
   R40        2.08144   0.00001  -0.00017   0.00004  -0.00012   2.08132
   R41        2.08395   0.00000   0.00000   0.00001   0.00001   2.08396
   R42        2.07491   0.00003   0.00005  -0.00001   0.00005   2.07495
   R43        2.08317   0.00000   0.00001   0.00000   0.00001   2.08318
   R44        2.08377   0.00003  -0.00010   0.00005  -0.00006   2.08371
   R45        2.07671   0.00000  -0.00001   0.00001   0.00000   2.07670
   R46        2.34810   0.00003  -0.00002   0.00002   0.00001   2.34810
   R47        2.57124   0.00006  -0.00014   0.00004  -0.00007   2.57117
   R48        2.09367   0.00000   0.00002  -0.00001   0.00001   2.09369
   R49        2.76489   0.00002   0.00006  -0.00002   0.00007   2.76496
   R50        2.76928   0.00003   0.00030   0.00000   0.00030   2.76958
   R51        2.08455   0.00000   0.00004  -0.00002   0.00002   2.08456
   R52        2.08103   0.00008   0.00025  -0.00003   0.00029   2.08132
   R53        2.07605   0.00000  -0.00003   0.00001  -0.00002   2.07603
   R54        2.08514   0.00001  -0.00003  -0.00001  -0.00004   2.08510
   R55        2.07421   0.00001   0.00014  -0.00002   0.00012   2.07433
   R56        2.07808  -0.00001  -0.00009  -0.00005  -0.00014   2.07794
   R57        2.34711  -0.00026  -0.00023   0.00033   0.00009   2.34720
   R58        2.57332  -0.00025  -0.00016  -0.00032  -0.00048   2.57284
   R59        2.09569  -0.00003  -0.00019  -0.00002  -0.00021   2.09549
   R60        2.76753  -0.00033   0.00016  -0.00007   0.00017   2.76769
   R61        2.76389   0.00006  -0.00084   0.00047  -0.00033   2.76356
   R62        2.07202   0.00001   0.00013  -0.00001   0.00012   2.07215
   R63        2.08424  -0.00001  -0.00004   0.00008   0.00004   2.08428
   R64        2.08159   0.00001   0.00061  -0.00045   0.00027   2.08186
   R65        2.07683   0.00005  -0.00009   0.00016   0.00007   2.07691
   R66        2.08246   0.00021   0.00178  -0.00075   0.00062   2.08307
   R67        2.08300   0.00009   0.00017  -0.00024  -0.00007   2.08293
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    A2        0.97802   0.00002  -0.00098   0.00024  -0.00073   0.97728
    A3        0.71738   0.00001  -0.00023   0.00042   0.00020   0.71758
    A4        1.01199   0.00001  -0.00023   0.00052   0.00029   1.01228
    A5        2.30436   0.00000   0.00032   0.00046   0.00077   2.30514
    A6        1.98256   0.00000   0.00091   0.00058   0.00150   1.98405
    A7        1.93964   0.00000   0.00171   0.00066   0.00237   1.94201
    A8        1.64534   0.00000   0.00141   0.00040   0.00182   1.64716
    A9        1.61611   0.00000   0.00068   0.00058   0.00127   1.61737
   A10        1.33378  -0.00001   0.00087   0.00060   0.00150   1.33527
   A11        1.74571   0.00000  -0.00058   0.00006  -0.00051   1.74520
   A12        2.03938   0.00001  -0.00074   0.00022  -0.00051   2.03887
   A13        1.93015   0.00000  -0.00062   0.00037  -0.00024   1.92991
   A14        2.00859  -0.00001  -0.00100   0.00018  -0.00082   2.00777
   A15        2.44091   0.00001  -0.00054   0.00016  -0.00038   2.44054
   A16        1.52665   0.00003   0.00716   0.00176   0.00891   1.53556
   A17        1.76617   0.00004   0.00445   0.00119   0.00567   1.77184
   A18        1.59959   0.00002   0.00019   0.00036   0.00058   1.60017
   A19        1.71549   0.00003   0.00463   0.00202   0.00665   1.72214
   A20        2.17652   0.00004   0.00256   0.00124   0.00376   2.18028
   A21        2.41244   0.00002   0.00409   0.00074   0.00491   2.41736
   A22        0.65992   0.00001  -0.00035   0.00012  -0.00024   0.65969
   A23        0.66326   0.00001   0.00010   0.00021   0.00031   0.66357
   A24        2.37869   0.00000  -0.00047  -0.00004  -0.00050   2.37819
   A25        2.19152   0.00000   0.00034   0.00038   0.00073   2.19224
   A26        2.28366   0.00001   0.00123   0.00076   0.00200   2.28566
   A27        2.01567   0.00000   0.00092   0.00054   0.00147   2.01714
   A28        1.78681   0.00000   0.00045   0.00042   0.00088   1.78769
   A29        1.53858  -0.00001   0.00078   0.00059   0.00139   1.53997
   A30        1.35270  -0.00001  -0.00018  -0.00020  -0.00038   1.35232
   A31        1.64848   0.00000  -0.00041  -0.00015  -0.00056   1.64792
   A32        1.59617  -0.00001  -0.00048  -0.00012  -0.00060   1.59557
   A33        1.74566  -0.00001  -0.00097  -0.00034  -0.00130   1.74436
   A34        2.04616   0.00000  -0.00016  -0.00013  -0.00029   2.04588
   A35        1.73611   0.00004   0.00863   0.00264   0.01127   1.74738
   A36        1.84482   0.00006   0.00564   0.00208   0.00775   1.85258
   A37        1.54194   0.00006   0.00172   0.00123   0.00297   1.54491
   A38        1.54634   0.00005   0.00564   0.00267   0.00831   1.55464
   A39        2.23257   0.00005   0.00223   0.00176   0.00398   2.23655
   A40        2.34983  -0.00001   0.00617   0.00097   0.00713   2.35696
   A41        0.70446   0.00001  -0.00038   0.00008  -0.00030   0.70417
   A42        0.77280   0.00001  -0.00020   0.00019  -0.00001   0.77279
   A43        2.67851  -0.00001  -0.00122  -0.00050  -0.00172   2.67678
   A44        2.59270   0.00000  -0.00013   0.00030   0.00017   2.59287
   A45        2.62805   0.00001   0.00118   0.00093   0.00212   2.63017
   A46        2.31921   0.00000   0.00100   0.00079   0.00180   2.32101
   A47        2.18685   0.00000   0.00003   0.00036   0.00041   2.18726
   A48        1.94287  -0.00001   0.00039   0.00058   0.00099   1.94386
   A49        1.12376  -0.00001  -0.00028  -0.00051  -0.00079   1.12297
   A50        1.48374   0.00000  -0.00057  -0.00045  -0.00102   1.48271
   A51        1.59246  -0.00001  -0.00081  -0.00046  -0.00126   1.59120
   A52        1.82934   0.00000  -0.00123  -0.00062  -0.00183   1.82751
   A53        1.80216   0.00000  -0.00022  -0.00042  -0.00063   1.80152
   A54        1.54448   0.00002   0.00959   0.00300   0.01260   1.55707
   A55        1.53075   0.00006   0.00635   0.00239   0.00877   1.53952
   A56        1.17290   0.00007   0.00268   0.00154   0.00424   1.17714
   A57        1.14437   0.00005   0.00609   0.00274   0.00884   1.15321
   A58        1.87514   0.00004   0.00234   0.00179   0.00414   1.87928
   A59        1.95091  -0.00001   0.00671   0.00097   0.00766   1.95857
   A60        0.84288   0.00002   0.00021   0.00030   0.00051   0.84339
   A61        0.78818   0.00002   0.00067   0.00044   0.00111   0.78928
   A62        2.60803  -0.00001  -0.00016  -0.00064  -0.00080   2.60723
   A63        2.75671   0.00001   0.00024   0.00008   0.00033   2.75704
   A64        2.59255   0.00001   0.00037   0.00079   0.00117   2.59371
   A65        2.37909   0.00001   0.00057   0.00041   0.00099   2.38009
   A66        2.17594   0.00000   0.00075   0.00071   0.00147   2.17742
   A67        0.87233  -0.00002   0.00050  -0.00050   0.00001   0.87234
   A68        1.24632  -0.00001   0.00029  -0.00042  -0.00013   1.24620
   A69        1.43288  -0.00001   0.00022  -0.00038  -0.00015   1.43273
   A70        1.70502   0.00000  -0.00004  -0.00050  -0.00051   1.70451
   A71        1.52830  -0.00001   0.00042  -0.00042   0.00001   1.52830
   A72        1.56899   0.00001   0.00819   0.00272   0.01091   1.57991
   A73        1.44532   0.00005   0.00536   0.00224   0.00764   1.45296
   A74        1.04079   0.00008   0.00262   0.00166   0.00430   1.04509
   A75        0.93607   0.00006   0.00569   0.00275   0.00844   0.94452
   A76        1.72029   0.00003   0.00125   0.00146   0.00273   1.72302
   A77        1.73285  -0.00003   0.00650   0.00072   0.00719   1.74004
   A78        1.99333  -0.00002  -0.00072  -0.00037  -0.00109   1.99223
   A79        1.92522  -0.00001  -0.00002  -0.00005  -0.00007   1.92516
   A80        2.19697   0.00000   0.00072   0.00028   0.00101   2.19799
   A81        2.04641   0.00000   0.00041   0.00009   0.00050   2.04691
   A82        1.53625  -0.00001   0.00038   0.00010   0.00049   1.53674
   A83        1.35758  -0.00002   0.00084   0.00038   0.00123   1.35881
   A84        1.18497   0.00000   0.00002   0.00014   0.00016   1.18513
   A85        1.37355   0.00000  -0.00024   0.00005  -0.00019   1.37336
   A86        1.21290  -0.00002  -0.00040  -0.00006  -0.00046   1.21244
   A87        1.32390  -0.00002  -0.00098  -0.00039  -0.00136   1.32254
   A88        1.80071   0.00000   0.00005   0.00011   0.00016   1.80087
   A89        2.16733   0.00004   0.00869   0.00277   0.01146   2.17878
   A90        2.23390   0.00007   0.00595   0.00243   0.00842   2.24232
   A91        1.86819   0.00009   0.00261   0.00179   0.00442   1.87261
   A92        1.77396   0.00008   0.00570   0.00308   0.00878   1.78274
   A93        2.56257   0.00005   0.00156   0.00179   0.00337   2.56594
   A94        2.52964  -0.00003   0.00608   0.00076   0.00678   2.53642
   A95        1.90775  -0.00002  -0.00104  -0.00076  -0.00180   1.90595
   A96        1.97193  -0.00001  -0.00039  -0.00045  -0.00084   1.97109
   A97        2.34221  -0.00001   0.00017  -0.00014   0.00002   2.34223
   A98        2.28516   0.00000   0.00004  -0.00018  -0.00014   2.28502
   A99        1.63820  -0.00001   0.00023  -0.00017   0.00006   1.63825
   A100       1.52994  -0.00002   0.00075   0.00021   0.00097   1.53091
   A101       0.88305   0.00000   0.00010   0.00020   0.00030   0.88335
   A102       1.05708   0.00000  -0.00027  -0.00004  -0.00031   1.05677
   A103       0.93350  -0.00002  -0.00056  -0.00031  -0.00086   0.93264
   A104       1.09808  -0.00002  -0.00112  -0.00067  -0.00177   1.09631
   A105       1.48400   0.00000   0.00002   0.00002   0.00005   1.48405
   A106       2.31724   0.00004   0.00939   0.00319   0.01259   2.32983
   A107       2.22966   0.00007   0.00583   0.00266   0.00853   2.23819
   A108       1.81427   0.00010   0.00341   0.00220   0.00564   1.81991
   A109       1.63696   0.00009   0.00527   0.00310   0.00837   1.64533
   A110       2.41983   0.00003   0.00052   0.00137   0.00193   2.42175
   A111       2.27994  -0.00004   0.00523   0.00050   0.00565   2.28560
   A112       0.71312   0.00001  -0.00006   0.00003  -0.00003   0.71309
   A113       1.00468   0.00001  -0.00026  -0.00002  -0.00029   1.00439
   A114       0.69296   0.00001  -0.00017  -0.00008  -0.00026   0.69270
   A115       0.97916   0.00002  -0.00026  -0.00007  -0.00034   0.97882
   A116       1.79079   0.00000  -0.00053  -0.00019  -0.00072   1.79007
   A117       1.41395  -0.00001  -0.00031  -0.00028  -0.00060   1.41334
   A118       1.17714   0.00000  -0.00036  -0.00028  -0.00065   1.17649
   A119       0.90320  -0.00001  -0.00013  -0.00013  -0.00028   0.90292
   A120       1.24530  -0.00001  -0.00020  -0.00019  -0.00040   1.24490
   A121       2.05754  -0.00001  -0.00832  -0.00242  -0.01075   2.04678
   A122       2.05210  -0.00005  -0.00520  -0.00204  -0.00728   2.04482
   A123       2.35109  -0.00005  -0.00096  -0.00111  -0.00210   2.34899
   A124       2.26209  -0.00003  -0.00488  -0.00239  -0.00728   2.25481
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   A126       1.52104  -0.00001  -0.00531  -0.00117  -0.00650   1.51454
   A127       0.65644   0.00000  -0.00037  -0.00010  -0.00046   0.65597
   A128       0.66109   0.00002  -0.00024  -0.00010  -0.00035   0.66074
   A129       2.14421   0.00001  -0.00033  -0.00007  -0.00041   2.14380
   A130       1.77816   0.00000  -0.00018  -0.00019  -0.00037   1.77779
   A131       1.47750   0.00001  -0.00007  -0.00011  -0.00020   1.47730
   A132       1.18505  -0.00001   0.00001  -0.00004  -0.00006   1.18499
   A133       1.63767   0.00000  -0.00030  -0.00022  -0.00054   1.63713
   A134       1.91930  -0.00001  -0.00783  -0.00229  -0.01015   1.90915
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   A141       0.84005   0.00002  -0.00017  -0.00012  -0.00030   0.83975
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   A164       1.57404  -0.00002  -0.00019  -0.00095  -0.00121   1.57283
   A165       1.70260   0.00004  -0.00611  -0.00068  -0.00673   1.69586
   A166       2.11645   0.00002   0.00053   0.00032   0.00084   2.11729
   A167       1.82693   0.00001   0.00053   0.00015   0.00066   1.82759
   A168       1.43807   0.00001   0.00059   0.00019   0.00076   1.43883
   A169       1.16159   0.00000   0.00036   0.00010   0.00042   1.16201
   A170       1.84991   0.00001   0.00033   0.00005   0.00036   1.85028
   A171       2.11376   0.00000  -0.00631  -0.00183  -0.00819   2.10558
   A172       2.39539  -0.00006  -0.00531  -0.00218  -0.00755   2.38784
   A173       2.81235  -0.00010  -0.00391  -0.00192  -0.00583   2.80652
   A174       2.18306  -0.00004  -0.00178  -0.00182  -0.00363   2.17943
   A175       2.14530   0.00001  -0.00673  -0.00135  -0.00807   2.13724
   A176       2.20639   0.00001   0.00102   0.00070   0.00171   2.20810
   A177       1.99738   0.00001   0.00085   0.00047   0.00130   1.99869
   A178       1.58580   0.00001   0.00086   0.00049   0.00133   1.58713
   A179       1.34066  -0.00001   0.00042   0.00029   0.00068   1.34133
   A180       2.10434   0.00001   0.00052   0.00027   0.00077   2.10511
   A181       2.03512   0.00001  -0.00424  -0.00137  -0.00567   2.02945
   A182       2.39842  -0.00004  -0.00392  -0.00181  -0.00579   2.39262
   A183       2.71934  -0.00007  -0.00325  -0.00127  -0.00454   2.71479
   A184       2.33195  -0.00002  -0.00149  -0.00171  -0.00325   2.32870
   A185       2.37425   0.00003  -0.00727  -0.00142  -0.00867   2.36558
   A186       0.68855   0.00001  -0.00015   0.00010  -0.00005   0.68850
   A187       0.97896   0.00002  -0.00011   0.00009   0.00000   0.97896
   A188       0.69715   0.00001   0.00001   0.00006   0.00007   0.69723
   A189       2.03505  -0.00002   0.00424   0.00099   0.00522   2.04027
   A190       1.67677   0.00002   0.00256   0.00097   0.00356   1.68034
   A191       1.32523   0.00007   0.00310   0.00119   0.00431   1.32954
   A192       1.03024   0.00006   0.00200   0.00119   0.00323   1.03347
   A193       1.62105  -0.00001  -0.00093   0.00010  -0.00076   1.62029
   A194       1.41146  -0.00006   0.00431  -0.00005   0.00419   1.41565
   A195       0.66654   0.00001   0.00023   0.00008   0.00033   0.66687
   A196       2.22115  -0.00003   0.00091   0.00006   0.00095   2.22210
   A197       1.82501   0.00001   0.00063   0.00032   0.00095   1.82597
   A198       1.56550   0.00007   0.00260   0.00092   0.00353   1.56903
   A199       1.26245   0.00006   0.00010   0.00038   0.00051   1.26297
   A200       1.62507  -0.00002  -0.00168  -0.00053  -0.00215   1.62292
   A201       1.35562  -0.00006   0.00238  -0.00047   0.00181   1.35743
   A202       0.71132   0.00001   0.00034   0.00009   0.00043   0.71175
   A203       2.62718  -0.00002  -0.00018  -0.00027  -0.00051   2.62667
   A204       2.22997   0.00001   0.00012   0.00011   0.00023   2.23020
   A205       1.97496   0.00007   0.00273   0.00101   0.00375   1.97871
   A206       1.67120   0.00006   0.00049   0.00057   0.00109   1.67229
   A207       1.97220  -0.00002  -0.00201  -0.00091  -0.00286   1.96934
   A208       1.68422  -0.00005   0.00085  -0.00072   0.00004   1.68426
   A209       0.83500   0.00002   0.00075   0.00030   0.00106   0.83606
   A210       2.73393  -0.00002  -0.00469  -0.00151  -0.00624   2.72769
   A211       2.38289   0.00000  -0.00122  -0.00040  -0.00163   2.38126
   A212       2.22269   0.00007   0.00270   0.00088   0.00360   2.22629
   A213       1.92338   0.00007  -0.00009   0.00025   0.00019   1.92357
   A214       2.03506  -0.00003  -0.00177  -0.00110  -0.00281   2.03225
   A215       1.74743  -0.00003  -0.00043  -0.00071  -0.00121   1.74621
   A216       1.93634  -0.00004  -0.00255  -0.00099  -0.00353   1.93280
   A217       1.55288  -0.00001  -0.00148  -0.00050  -0.00197   1.55091
   A218       1.43202   0.00004   0.00150   0.00022   0.00173   1.43374
   A219       1.16422   0.00003  -0.00248  -0.00094  -0.00339   1.16083
   A220       1.26091  -0.00003  -0.00234  -0.00099  -0.00327   1.25764
   A221       0.97401  -0.00006   0.00082  -0.00077  -0.00007   0.97394
   A222       0.71165  -0.00010   0.00170  -0.00008   0.00162   0.71328
   A223       1.00512  -0.00008   0.00218  -0.00019   0.00194   1.00706
   A224       0.70042   0.00000  -0.00216  -0.00026  -0.00245   0.69798
   A225       0.99001   0.00002  -0.00360  -0.00055  -0.00404   0.98597
   A226       0.66311  -0.00004   0.00034  -0.00043  -0.00009   0.66302
   A227       0.66537   0.00001  -0.00097  -0.00023  -0.00119   0.66418
   A228       0.70224  -0.00002  -0.00032   0.00026  -0.00006   0.70218
   A229       0.83103  -0.00003   0.00437   0.00014   0.00450   0.83553
   A230       0.79812  -0.00004  -0.00446  -0.00147  -0.00591   0.79221
   A231       0.80709  -0.00007   0.00064  -0.00183  -0.00123   0.80586
   A232       1.68207  -0.00002  -0.00305  -0.00113  -0.00417   1.67791
   A233       1.80945  -0.00004   0.00556  -0.00012   0.00544   1.81489
   A234       2.19196  -0.00002   0.00017   0.00001   0.00016   2.19211
   A235       2.12888   0.00002  -0.00017  -0.00001  -0.00015   2.12873
   A236       1.96215   0.00000   0.00002  -0.00001   0.00000   1.96215
   A237       2.12325  -0.00001   0.00004  -0.00013  -0.00010   2.12314
   A238       2.12297  -0.00001   0.00027   0.00011   0.00040   2.12337
   A239       2.03652   0.00002  -0.00027  -0.00002  -0.00029   2.03623
   A240       1.74803  -0.00001   0.00367   0.00072   0.00438   1.75241
   A241       2.61710   0.00001  -0.00379  -0.00070  -0.00448   2.61262
   A242       1.91237   0.00000   0.00020  -0.00003   0.00017   1.91254
   A243       1.91309   0.00001  -0.00050   0.00019  -0.00032   1.91276
   A244       1.92420   0.00000   0.00045  -0.00007   0.00039   1.92459
   A245       1.90854  -0.00002   0.00005  -0.00014  -0.00009   1.90845
   A246       1.91069   0.00001   0.00003   0.00005   0.00008   1.91078
   A247       1.89480   0.00000  -0.00024   0.00001  -0.00024   1.89455
   A248       1.36725  -0.00002   0.00087   0.00034   0.00121   1.36846
   A249       1.90793  -0.00001   0.00018  -0.00005   0.00013   1.90806
   A250       1.90812   0.00000   0.00026  -0.00005   0.00022   1.90834
   A251       1.92891   0.00001  -0.00045  -0.00004  -0.00049   1.92842
   A252       1.91068  -0.00001   0.00018  -0.00001   0.00017   1.91084
   A253       1.89522   0.00000  -0.00011   0.00004  -0.00007   1.89515
   A254       1.91286   0.00001  -0.00006   0.00010   0.00005   1.91291
   A255       1.71536  -0.00001  -0.00053  -0.00023  -0.00076   1.71459
   A256       1.78319   0.00001   0.00075   0.00032   0.00107   1.78426
   A257       2.18998  -0.00002  -0.00008  -0.00006  -0.00014   2.18985
   A258       2.13021   0.00000   0.00003   0.00002   0.00005   2.13026
   A259       1.96279   0.00002   0.00005   0.00004   0.00009   1.96288
   A260       2.12237   0.00001  -0.00020  -0.00003  -0.00023   2.12214
   A261       2.12469   0.00000   0.00020  -0.00003   0.00016   2.12485
   A262       2.03608  -0.00001   0.00000   0.00006   0.00007   2.03616
   A263       1.33510  -0.00002  -0.00369  -0.00197  -0.00567   1.32943
   A264       1.89944   0.00000  -0.00039  -0.00013  -0.00052   1.89891
   A265       1.93194   0.00001   0.00006   0.00021   0.00028   1.93222
   A266       1.90992  -0.00001   0.00016  -0.00006   0.00009   1.91001
   A267       1.89867  -0.00001   0.00015   0.00006   0.00021   1.89888
   A268       1.91290   0.00000  -0.00001  -0.00011  -0.00011   1.91279
   A269       1.91084   0.00001   0.00003   0.00003   0.00006   1.91089
   A270       2.63424   0.00002  -0.00003   0.00050   0.00046   2.63471
   A271       1.73040  -0.00001   0.00011  -0.00047  -0.00036   1.73004
   A272       1.92292   0.00001  -0.00010   0.00005  -0.00005   1.92287
   A273       1.91552   0.00003  -0.00017  -0.00003  -0.00022   1.91530
   A274       1.91423  -0.00001  -0.00013   0.00001  -0.00012   1.91412
   A275       1.89466   0.00000   0.00016  -0.00001   0.00015   1.89482
   A276       1.91050   0.00000   0.00010   0.00001   0.00010   1.91060
   A277       1.90580  -0.00003   0.00015  -0.00002   0.00013   1.90593
   A278       1.82053  -0.00002   0.00030  -0.00043  -0.00013   1.82040
   A279       1.75476  -0.00004   0.00121  -0.00017   0.00104   1.75580
   A280       2.18909  -0.00001  -0.00013  -0.00007  -0.00019   2.18890
   A281       2.13042   0.00003  -0.00004   0.00005   0.00001   2.13043
   A282       1.96360  -0.00002   0.00017   0.00001   0.00018   1.96378
   A283       2.12092  -0.00001  -0.00017   0.00015   0.00000   2.12093
   A284       2.11452  -0.00001  -0.00024  -0.00024  -0.00048   2.11404
   A285       2.04323   0.00002   0.00036   0.00019   0.00053   2.04376
   A286       2.69726   0.00002  -0.00196  -0.00064  -0.00259   2.69467
   A287       1.66187  -0.00001   0.00180   0.00070   0.00250   1.66437
   A288       1.92696   0.00001   0.00034  -0.00016   0.00020   1.92717
   A289       1.91459   0.00000   0.00011   0.00023   0.00037   1.91496
   A290       1.91201   0.00000   0.00008  -0.00007   0.00000   1.91201
   A291       1.89085   0.00001  -0.00055   0.00010  -0.00047   1.89038
   A292       1.91253  -0.00001   0.00001  -0.00005  -0.00005   1.91248
   A293       1.90667  -0.00001  -0.00001  -0.00005  -0.00006   1.90661
   A294       1.33825   0.00000  -0.00518  -0.00194  -0.00711   1.33114
   A295       1.16005   0.00002   0.00343   0.00147   0.00490   1.16495
   A296       1.93366   0.00001   0.00024   0.00005   0.00030   1.93397
   A297       1.90767   0.00001   0.00044  -0.00022   0.00020   1.90787
   A298       1.90015   0.00000  -0.00051   0.00010  -0.00043   1.89972
   A299       1.90931  -0.00001  -0.00014  -0.00014  -0.00028   1.90903
   A300       1.89973  -0.00001   0.00039   0.00012   0.00052   1.90025
   A301       1.91321   0.00001  -0.00043   0.00009  -0.00032   1.91289
   A302       1.73656  -0.00003  -0.01006  -0.00269  -0.01286   1.72370
   A303       1.73122  -0.00007   0.01168   0.00456   0.01628   1.74750
   A304       2.19750   0.00004  -0.00091   0.00026  -0.00058   2.19692
   A305       2.12692   0.00006   0.00078   0.00002   0.00055   2.12747
   A306       1.95854  -0.00010   0.00012  -0.00026   0.00004   1.95858
   A307       2.13264  -0.00016   0.00012  -0.00040  -0.00020   2.13244
   A308       2.11653   0.00014  -0.00048   0.00014  -0.00047   2.11606
   A309       2.03374   0.00002   0.00039   0.00021   0.00068   2.03443
   A310       1.52533  -0.00006  -0.02337  -0.00840  -0.03182   1.49351
   A311       2.82923   0.00013   0.02144   0.00852   0.02997   2.85920
   A312       1.90643   0.00007   0.00003   0.00029   0.00029   1.90672
   A313       1.92155  -0.00007  -0.00126   0.00109  -0.00059   1.92097
   A314       1.91333   0.00001  -0.00139  -0.00046  -0.00193   1.91140
   A315       1.91634  -0.00007   0.00120  -0.00056   0.00079   1.91714
   A316       1.91829  -0.00004   0.00033  -0.00085  -0.00045   1.91784
   A317       1.88786   0.00010   0.00108   0.00049   0.00187   1.88973
   A318       1.68179  -0.00002   0.02447   0.00030   0.02482   1.70661
   A319       1.91363  -0.00006  -0.00039   0.00016  -0.00006   1.91357
   A320       1.91917  -0.00017  -0.00185  -0.00019  -0.00174   1.91743
   A321       1.92303   0.00002   0.00058  -0.00007   0.00039   1.92341
   A322       1.90342   0.00012   0.00054  -0.00031  -0.00004   1.90339
   A323       1.91113   0.00004  -0.00014   0.00015  -0.00003   1.91110
   A324       1.89322   0.00005   0.00129   0.00026   0.00149   1.89471
   A325       2.91766   0.00002   0.00073   0.00090   0.00164   2.91930
   A326       3.33160   0.00002   0.00531   0.00259   0.00792   3.33952
   A327       3.04927   0.00001   0.00551   0.00262   0.00815   3.05741
   A328       3.28011  -0.00001   0.00081   0.00045   0.00126   3.28137
   A329       3.24593  -0.00001  -0.00367  -0.00194  -0.00561   3.24032
   A330       3.24756  -0.00001  -0.00532  -0.00208  -0.00739   3.24017
   A331       3.59293   0.00003   0.02434   0.00045   0.02479   3.61771
   A332       3.21523   0.00000   0.00056  -0.00023   0.00033   3.21556
   A333       3.10273  -0.00008  -0.00317  -0.00194  -0.00512   3.09760
   A334       3.05224  -0.00008  -0.00375  -0.00220  -0.00595   3.04629
   A335       3.23187   0.00000   0.00132   0.00021   0.00154   3.23341
   A336       3.07815   0.00000   0.00121   0.00031   0.00152   3.07967
   A337       3.10572   0.00000   0.00145   0.00071   0.00217   3.10789
   A338       3.03539   0.00001   0.00278  -0.00059   0.00211   3.03751
    D1        2.74741  -0.00001   0.00137   0.00022   0.00159   2.74900
    D2       -1.35166  -0.00001   0.00179  -0.00025   0.00153  -1.35013
    D3        2.73177   0.00000   0.00269   0.00071   0.00341   2.73518
    D4       -1.36729   0.00000   0.00310   0.00024   0.00335  -1.36395
    D5        1.62564  -0.00002   0.00141   0.00055   0.00198   1.62761
    D6       -2.47343  -0.00002   0.00182   0.00008   0.00191  -2.47151
    D7        1.78158  -0.00002   0.00149   0.00044   0.00194   1.78352
    D8       -2.31749  -0.00002   0.00191  -0.00003   0.00188  -2.31561
    D9        0.24946   0.00000   0.00348   0.00139   0.00488   0.25434
   D10        2.43357   0.00000   0.00389   0.00092   0.00482   2.43839
   D11       -0.02071  -0.00001   0.00253   0.00114   0.00368  -0.01703
   D12        2.16341  -0.00001   0.00295   0.00067   0.00362   2.16703
   D13       -0.48346  -0.00001   0.00213   0.00094   0.00308  -0.48038
   D14        1.70066  -0.00001   0.00254   0.00047   0.00302   1.70368
   D15       -0.60480  -0.00001   0.00249   0.00129   0.00380  -0.60100
   D16        1.57932  -0.00001   0.00291   0.00082   0.00373   1.58305
   D17        0.15960  -0.00001   0.00165   0.00100   0.00266   0.16226
   D18        2.34372  -0.00001   0.00206   0.00052   0.00259   2.34631
   D19        0.10912   0.00000   0.00107   0.00074   0.00182   0.11094
   D20        2.29324   0.00000   0.00148   0.00026   0.00176   2.29500
   D21        2.29558   0.00001   0.00226   0.00148   0.00374   2.29932
   D22       -1.80348   0.00001   0.00267   0.00101   0.00368  -1.79981
   D23        2.04263   0.00000   0.00246   0.00152   0.00399   2.04663
   D24       -2.05643   0.00000   0.00288   0.00105   0.00393  -2.05250
   D25        1.60559   0.00000   0.00253   0.00142   0.00394   1.60953
   D26       -2.49348   0.00000   0.00294   0.00095   0.00388  -2.48960
   D27        1.29856  -0.00002   0.00255   0.00136   0.00389   1.30245
   D28       -2.80051  -0.00002   0.00296   0.00089   0.00383  -2.79668
   D29        2.23277   0.00000   0.00276   0.00199   0.00476   2.23753
   D30       -1.86629   0.00000   0.00318   0.00152   0.00470  -1.86160
   D31       -1.95303  -0.00001   0.00780   0.00279   0.01061  -1.94242
   D32        0.23109  -0.00001   0.00822   0.00232   0.01055   0.24163
   D33       -2.27183   0.00004   0.00572   0.00275   0.00851  -2.26331
   D34       -0.08771   0.00004   0.00614   0.00228   0.00845  -0.07926
   D35       -2.66112   0.00009   0.00545   0.00275   0.00822  -2.65289
   D36       -0.47700   0.00009   0.00587   0.00228   0.00816  -0.46884
   D37       -2.94313   0.00007   0.00482   0.00293   0.00778  -2.93535
   D38       -0.75901   0.00007   0.00523   0.00246   0.00771  -0.75129
   D39       -2.23130   0.00001   0.00146   0.00204   0.00357  -2.22774
   D40       -0.04719   0.00001   0.00187   0.00156   0.00351  -0.04368
   D41       -2.46085  -0.00007   0.00876   0.00157   0.01013  -2.45071
   D42       -0.27673  -0.00007   0.00918   0.00110   0.01007  -0.26666
   D43        1.32729  -0.00001  -0.00146  -0.00078  -0.00224   1.32504
   D44       -1.98219  -0.00001  -0.00192   0.00009  -0.00184  -1.98403
   D45        2.48152  -0.00001  -0.00110  -0.00027  -0.00136   2.48016
   D46       -0.82796   0.00000  -0.00156   0.00060  -0.00095  -0.82891
   D47        2.94408  -0.00001  -0.00099  -0.00026  -0.00124   2.94283
   D48       -0.36540   0.00000  -0.00145   0.00061  -0.00084  -0.36623
   D49        2.83276   0.00002  -0.00028   0.00151   0.00123   2.83399
   D50       -0.47671   0.00003  -0.00074   0.00238   0.00164  -0.47507
   D51        2.02289   0.00000   0.00050   0.00138   0.00189   2.02479
   D52       -1.28658   0.00001   0.00003   0.00225   0.00230  -1.28428
   D53        1.15719  -0.00001  -0.00025   0.00037   0.00012   1.15731
   D54       -2.15229   0.00000  -0.00071   0.00123   0.00053  -2.15176
   D55        1.03879  -0.00001  -0.00015   0.00050   0.00036   1.03915
   D56       -2.27068   0.00000  -0.00061   0.00137   0.00077  -2.26992
   D57        2.02661  -0.00001  -0.00109   0.00047  -0.00060   2.02601
   D58       -1.28286   0.00000  -0.00156   0.00134  -0.00020  -1.28306
   D59        1.85467  -0.00001  -0.00157  -0.00002  -0.00157   1.85310
   D60       -1.45481   0.00000  -0.00203   0.00085  -0.00116  -1.45597
   D61       -2.31132   0.00001  -0.00060   0.00050  -0.00010  -2.31142
   D62        0.66239   0.00001  -0.00106   0.00137   0.00031   0.66270
   D63       -2.43331   0.00000  -0.00085   0.00037  -0.00048  -2.43379
   D64        0.54040   0.00001  -0.00131   0.00124  -0.00008   0.54032
   D65       -2.83316  -0.00001  -0.00095   0.00035  -0.00060  -2.83376
   D66        0.14055   0.00000  -0.00141   0.00122  -0.00019   0.14036
   D67       -3.00837  -0.00002  -0.00146   0.00020  -0.00127  -3.00964
   D68       -0.03466  -0.00001  -0.00192   0.00107  -0.00087  -0.03553
   D69       -2.14642   0.00000  -0.00082   0.00040  -0.00042  -2.14683
   D70        0.82729   0.00001  -0.00128   0.00127  -0.00001   0.82728
   D71       -0.20611  -0.00003  -0.00112   0.00008  -0.00102  -0.20712
   D72        2.76760  -0.00002  -0.00158   0.00095  -0.00061   2.76699
   D73       -0.60348   0.00000  -0.00082   0.00047  -0.00034  -0.60383
   D74        2.37023   0.00001  -0.00128   0.00134   0.00006   2.37029
   D75       -0.83159   0.00007   0.00196   0.00141   0.00336  -0.82823
   D76        2.14212   0.00007   0.00150   0.00227   0.00376   2.14588
   D77       -1.16191   0.00006  -0.00018   0.00112   0.00094  -1.16097
   D78        1.81180   0.00007  -0.00064   0.00199   0.00135   1.81315
   D79       -0.83285  -0.00003  -0.00298  -0.00048  -0.00339  -0.83624
   D80        2.14086  -0.00002  -0.00344   0.00039  -0.00298   2.13788
   D81       -1.13142  -0.00006   0.00015  -0.00054  -0.00050  -1.13192
   D82        1.84229  -0.00006  -0.00031   0.00033  -0.00009   1.84219
   D83       -1.49957  -0.00001   0.00020   0.00028   0.00048  -1.49908
   D84       -2.59459   0.00000   0.00081   0.00029   0.00111  -2.59349
   D85       -2.95327   0.00000   0.00191   0.00050   0.00241  -2.95087
   D86        0.71633   0.00001   0.00156   0.00127   0.00283   0.71915
   D87        0.29815   0.00001   0.00158   0.00127   0.00286   0.30101
   D88       -0.08155   0.00001   0.00211   0.00146   0.00357  -0.07797
   D89       -0.41006   0.00001   0.00201   0.00140   0.00342  -0.40664
   D90        0.18000   0.00000   0.00084   0.00097   0.00182   0.18182
   D91       -0.04633  -0.00001   0.00061   0.00073   0.00135  -0.04497
   D92        2.36282   0.00003   0.00123   0.00124   0.00246   2.36529
   D93        2.01943   0.00001   0.00131   0.00110   0.00240   2.02183
   D94        1.62199   0.00001   0.00132   0.00114   0.00244   1.62443
   D95        1.33725  -0.00001   0.00104   0.00102   0.00203   1.33928
   D96        2.02942   0.00000   0.00127   0.00106   0.00231   2.03173
   D97       -2.03611  -0.00001   0.00465   0.00196   0.00666  -2.02945
   D98       -2.52282   0.00002   0.00152   0.00137   0.00291  -2.51991
   D99       -2.75991   0.00006   0.00344   0.00170   0.00514  -2.75477
   D100      -3.05818   0.00004  -0.00032   0.00062   0.00030  -3.05787
   D101      -2.89900  -0.00006  -0.00309  -0.00077  -0.00378  -2.90278
   D102       2.86435  -0.00008  -0.00315  -0.00104  -0.00427   2.86008
   D103      -2.87597   0.00000  -0.00283  -0.00065  -0.00347  -2.87944
   D104       1.21768   0.00000  -0.00291  -0.00069  -0.00360   1.21408
   D105       2.86275  -0.00001  -0.00245  -0.00133  -0.00379   2.85896
   D106       0.67321  -0.00001  -0.00254  -0.00137  -0.00392   0.66930
   D107       2.37487  -0.00002  -0.00220  -0.00200  -0.00420   2.37068
   D108       0.18534  -0.00002  -0.00228  -0.00204  -0.00432   0.18102
   D109       1.78931  -0.00002  -0.00106  -0.00135  -0.00242   1.78688
   D110      -0.40023  -0.00002  -0.00114  -0.00139  -0.00255  -0.40278
   D111       2.62169   0.00000  -0.00183  -0.00080  -0.00263   2.61906
   D112       0.43215   0.00000  -0.00191  -0.00084  -0.00276   0.42940
   D113       2.29261   0.00000  -0.00163  -0.00069  -0.00232   2.29029
   D114       0.10307   0.00000  -0.00172  -0.00073  -0.00245   0.10063
   D115      -1.60999   0.00001   0.00006   0.00004   0.00010  -1.60989
   D116       2.48366   0.00001  -0.00002  -0.00001  -0.00003   2.48363
   D117      -1.77645   0.00001  -0.00103  -0.00050  -0.00152  -1.77797
   D118       2.31720   0.00001  -0.00111  -0.00054  -0.00165   2.31555
   D119      -2.73518   0.00002   0.00008  -0.00001   0.00007  -2.73511
   D120       1.35847   0.00002  -0.00001  -0.00005  -0.00006   1.35841
   D121      -2.71142   0.00001   0.00006   0.00016   0.00022  -2.71120
   D122       1.38223   0.00001  -0.00002   0.00012   0.00010   1.38233
   D123       1.37900   0.00000  -0.00159  -0.00084  -0.00242   1.37658
   D124      -0.81053   0.00000  -0.00167  -0.00088  -0.00255  -0.81308
   D125       1.34370   0.00000  -0.00162  -0.00083  -0.00244   1.34126
   D126      -0.84583   0.00000  -0.00170  -0.00087  -0.00256  -0.84840
   D127       1.69769   0.00001  -0.00158  -0.00079  -0.00236   1.69533
   D128      -0.49184   0.00001  -0.00166  -0.00083  -0.00249  -0.49433
   D129       1.82023   0.00003  -0.00092  -0.00045  -0.00135   1.81888
   D130      -0.36930   0.00003  -0.00101  -0.00050  -0.00148  -0.37078
   D131       0.93869   0.00000  -0.00201  -0.00095  -0.00296   0.93572
   D132      -1.25085   0.00000  -0.00210  -0.00099  -0.00309  -1.25394
   D133      -0.88296   0.00004  -0.00075  -0.00024  -0.00104  -0.88400
   D134      -3.07249   0.00004  -0.00083  -0.00028  -0.00117  -3.07366
   D135      -0.43320  -0.00001  -0.00243  -0.00115  -0.00360  -0.43680
   D136      -2.62274  -0.00001  -0.00252  -0.00119  -0.00373  -2.62646
   D137      -0.06226  -0.00010  -0.00537  -0.00223  -0.00759  -0.06985
   D138      -2.25180  -0.00010  -0.00545  -0.00227  -0.00771  -2.25951
   D139       0.33113  -0.00009  -0.00486  -0.00277  -0.00762   0.32351
   D140      -1.85840  -0.00009  -0.00495  -0.00282  -0.00775  -1.86615
   D141      -0.26627   0.00002  -0.00015  -0.00052  -0.00074  -0.26701
   D142      -2.45581   0.00002  -0.00023  -0.00057  -0.00087  -2.45667
   D143      -0.01699   0.00006  -0.00482  -0.00054  -0.00526  -0.02225
   D144      -2.20652   0.00006  -0.00490  -0.00058  -0.00539  -2.21191
   D145      -2.48137   0.00000   0.00045   0.00080   0.00126  -2.48011
   D146      -2.71017  -0.00001   0.00013   0.00017   0.00031  -2.70986
   D147      -2.36513   0.00000  -0.00039   0.00008  -0.00030  -2.36543
   D148       3.03116  -0.00002  -0.00022  -0.00009  -0.00031   3.03084
   D149       2.66112  -0.00002  -0.00075  -0.00051  -0.00126   2.65986
   D150       1.52298   0.00000   0.00195   0.00087   0.00282   1.52581
   D151       2.62066   0.00001   0.00178   0.00071   0.00248   2.62314
   D152       2.98492   0.00001   0.00173   0.00086   0.00258   2.98750
   D153       1.27535  -0.00002  -0.00050  -0.00048  -0.00097   1.27437
   D154       1.30578  -0.00001   0.00010  -0.00007   0.00004   1.30582
   D155       1.68404   0.00000   0.00032   0.00004   0.00038   1.68441
   D156       1.74848   0.00001   0.00117   0.00047   0.00165   1.75014
   D157       0.94036  -0.00001   0.00015   0.00004   0.00020   0.94056
   D158      -0.98845   0.00003   0.00493   0.00171   0.00662  -0.98184
   D159      -0.64803   0.00002   0.00338   0.00128   0.00466  -0.64337
   D160      -0.63478  -0.00002  -0.00005   0.00064   0.00060  -0.63418
   D161      -0.32739  -0.00004   0.00441   0.00178   0.00613  -0.32126
   D162      -0.28605   0.00003   0.00293   0.00155   0.00443  -0.28162
   D163       0.00153   0.00004   0.00174   0.00121   0.00303   0.00456
   D164      -1.26896   0.00000  -0.00388  -0.00104  -0.00491  -1.27387
   D165       1.69466   0.00000  -0.00202  -0.00065  -0.00265   1.69201
   D166      -1.62866  -0.00001  -0.00360  -0.00148  -0.00508  -1.63374
   D167       1.33496  -0.00001  -0.00174  -0.00109  -0.00282   1.33214
   D168      -1.69337  -0.00001  -0.00376  -0.00184  -0.00559  -1.69896
   D169       1.27025  -0.00001  -0.00190  -0.00144  -0.00334   1.26691
   D170      -1.97310  -0.00001  -0.00245  -0.00192  -0.00437  -1.97747
   D171       0.99053  -0.00001  -0.00058  -0.00153  -0.00212   0.98841
   D172      -1.98209  -0.00002  -0.00362  -0.00142  -0.00502  -1.98711
   D173       0.98154  -0.00002  -0.00175  -0.00102  -0.00277   0.97877
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   D175       0.68113  -0.00002  -0.00182  -0.00119  -0.00301   0.67812
   D176       1.97716   0.00001  -0.00175  -0.00061  -0.00236   1.97480
   D177      -1.34240   0.00001   0.00011  -0.00022  -0.00010  -1.34250
   D178       0.83003   0.00000  -0.00186  -0.00072  -0.00258   0.82746
   D179      -2.48953   0.00000   0.00000  -0.00032  -0.00032  -2.48985
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   D185      -0.37589  -0.00001  -0.00156  -0.00109  -0.00265  -0.37855
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   D187      -0.23274   0.00000  -0.00131  -0.00095  -0.00225  -0.23500
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   D189      -0.33497   0.00000  -0.00054  -0.00056  -0.00110  -0.33607
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   D191      -0.81857  -0.00002  -0.00193  -0.00117  -0.00309  -0.82166
   D192       0.27759   0.00003   0.00470   0.00130   0.00596   0.28355
   D193      -3.04197   0.00003   0.00657   0.00169   0.00821  -3.03376
   D194       0.64376   0.00002   0.00146   0.00052   0.00196   0.64572
   D195      -2.67581   0.00002   0.00332   0.00091   0.00421  -2.67159
   D196       0.52552  -0.00001  -0.00391   0.00049  -0.00343   0.52209
   D197      -2.79404  -0.00001  -0.00205   0.00088  -0.00118  -2.79522
   D198       1.11767   0.00003  -0.00085  -0.00008  -0.00099   1.11668
   D199      -2.20190   0.00003   0.00102   0.00031   0.00126  -2.20063
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   D201      -1.85315   0.00005  -0.00335  -0.00035  -0.00360  -1.85675
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   D209      -1.04797   0.00001  -0.00024   0.00026   0.00001  -1.04796
   D210       2.10376   0.00003   0.00071   0.00029   0.00100   2.10476
   D211      -0.11646   0.00003   0.00006   0.00050   0.00056  -0.11590
   D212       2.21736   0.00004   0.00104   0.00079   0.00183   2.21919
   D213      -0.00286   0.00004   0.00040   0.00099   0.00139  -0.00147
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   D215       1.82551   0.00001  -0.00053   0.00017  -0.00036   1.82516
   D216      -2.42398   0.00002   0.00080   0.00033   0.00113  -2.42285
   D217       1.63899   0.00002   0.00016   0.00053   0.00069   1.63968
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   D220      -2.27192   0.00003   0.00158   0.00084   0.00242  -2.26950
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   D222      -2.90309   0.00000   0.00091   0.00033   0.00126  -2.90183
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   D224       3.05157  -0.00001   0.00105   0.00034   0.00141   3.05299
   D225       0.83136  -0.00001   0.00040   0.00054   0.00098   0.83233
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   D230      -1.55718   0.00000   0.00079   0.00004   0.00083  -1.55635
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   D232       0.03831  -0.00002  -0.00837  -0.00271  -0.01108   0.02723
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   D247      -0.19951   0.00001   0.00082   0.00032   0.00113  -0.19838
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   D249      -0.60392   0.00001   0.00122   0.00033   0.00155  -0.60237
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   D251      -0.84069   0.00000   0.00101   0.00025   0.00125  -0.83944
   D252      -2.91375   0.00002   0.00206   0.00049   0.00254  -2.91121
   D253       0.00232   0.00003   0.00109   0.00071   0.00179   0.00411
   D254      -3.08545   0.00002   0.00231   0.00083   0.00313  -3.08232
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   D256      -0.66215   0.00001   0.00170   0.00026   0.00197  -0.66018
   D257       2.25391   0.00002   0.00073   0.00048   0.00122   2.25513
   D258      -0.92362   0.00001   0.00218   0.00050   0.00268  -0.92094
   D259       1.99244   0.00002   0.00121   0.00072   0.00193   1.99437
   D260      -0.77599   0.00002   0.00284   0.00083   0.00367  -0.77233
   D261       2.14007   0.00002   0.00187   0.00105   0.00292   2.14298
   D262      -0.99332   0.00001   0.00240   0.00060   0.00300  -0.99032
   D263       1.92274   0.00001   0.00143   0.00082   0.00225   1.92499
   D264      -1.33022   0.00001   0.00230   0.00054   0.00285  -1.32737
   D265       1.58584   0.00001   0.00133   0.00076   0.00210   1.58794
   D266      -1.57662   0.00000   0.00258   0.00070   0.00330  -1.57333
   D267       1.33944   0.00000   0.00161   0.00092   0.00255   1.34198
   D268       1.97741   0.00000   0.00153   0.00022   0.00175   1.97915
   D269      -1.38972   0.00001   0.00056   0.00044   0.00100  -1.38872
   D270       0.86015   0.00000   0.00167   0.00025   0.00193   0.86207
   D271      -2.50698   0.00000   0.00070   0.00047   0.00118  -2.50580
   D272       1.20757  -0.00002  -0.01593  -0.00518  -0.02106   1.18651
   D273      -2.15955  -0.00002  -0.01690  -0.00496  -0.02181  -2.18136
   D274       1.22629  -0.00006  -0.00521  -0.00255  -0.00783   1.21846
   D275      -2.14083  -0.00005  -0.00618  -0.00233  -0.00858  -2.14941
   D276       1.61736  -0.00005   0.00008  -0.00120  -0.00115   1.61620
   D277      -1.74977  -0.00005  -0.00089  -0.00098  -0.00191  -1.75167
   D278       1.61885  -0.00004  -0.00384  -0.00259  -0.00643   1.61241
   D279      -1.74828  -0.00004  -0.00481  -0.00237  -0.00718  -1.75546
   D280       0.85101  -0.00003   0.00034  -0.00149  -0.00118   0.84982
   D281      -2.51612  -0.00003  -0.00063  -0.00127  -0.00193  -2.51805
   D282       0.80696   0.00003  -0.00453  -0.00076  -0.00527   0.80169
   D283      -2.56017   0.00003  -0.00550  -0.00054  -0.00602  -2.56619
   D284       1.63214   0.00001   0.00249  -0.00027   0.00223   1.63437
   D285      -2.58017   0.00000   0.00348   0.00031   0.00379  -2.57638
   D286       1.64809   0.00001   0.00300   0.00047   0.00348   1.65158
   D287      -2.56421   0.00001   0.00399   0.00105   0.00504  -2.55917
   D288       1.30307   0.00001   0.00360   0.00075   0.00435   1.30743
   D289      -2.90924   0.00001   0.00459   0.00132   0.00591  -2.90332
   D290       1.22361   0.00001   0.00284   0.00067   0.00351   1.22712
   D291      -2.98870   0.00001   0.00383   0.00124   0.00507  -2.98363
   D292       2.02757   0.00003   0.00320   0.00081   0.00401   2.03158
   D293      -2.18474   0.00002   0.00419   0.00138   0.00557  -2.17917
   D294       2.01234   0.00003   0.00348   0.00114   0.00462   2.01697
   D295      -2.19997   0.00003   0.00447   0.00171   0.00618  -2.19378
   D296      -2.31065   0.00001   0.00239   0.00036   0.00275  -2.30790
   D297      -0.23978   0.00001   0.00338   0.00093   0.00431  -0.23546
   D298      -2.30268   0.00002   0.00311   0.00071   0.00382  -2.29887
   D299      -0.23181   0.00001   0.00409   0.00128   0.00538  -0.22643
   D300      -1.92097   0.00002   0.00351   0.00091   0.00443  -1.91654
   D301       0.14991   0.00002   0.00450   0.00149   0.00599   0.15590
   D302      -1.87699   0.00002   0.00307   0.00070   0.00377  -1.87322
   D303       0.19389   0.00002   0.00406   0.00127   0.00533   0.19922
   D304      -2.65464   0.00002   0.00370   0.00096   0.00467  -2.64997
   D305      -0.58377   0.00002   0.00469   0.00153   0.00623  -0.57754
   D306      -2.79922   0.00001   0.00430   0.00135   0.00568  -2.79355
   D307      -0.72835   0.00001   0.00529   0.00193   0.00724  -0.72111
   D308       1.53572   0.00000   0.00326   0.00053   0.00379   1.53951
   D309      -2.67659   0.00000   0.00425   0.00110   0.00535  -2.67124
   D310       2.63226   0.00000   0.00275   0.00058   0.00334   2.63560
   D311      -1.58005   0.00000   0.00373   0.00115   0.00490  -1.57515
   D312       3.01539   0.00001   0.00222   0.00030   0.00255   3.01794
   D313      -1.19692   0.00001   0.00321   0.00088   0.00411  -1.19281
   D314      -0.32898  -0.00001  -0.00622  -0.00214  -0.00835  -0.33732
   D315       1.74190  -0.00001  -0.00523  -0.00156  -0.00679   1.73511
   D316      -0.22235  -0.00004  -0.00258  -0.00160  -0.00422  -0.22656
   D317       1.84853  -0.00005  -0.00159  -0.00102  -0.00266   1.84587
   D318       0.18216  -0.00007   0.00021  -0.00107  -0.00088   0.18127
   D319       2.25303  -0.00007   0.00119  -0.00050   0.00068   2.25371
   D320       0.33161  -0.00007  -0.00262  -0.00237  -0.00502   0.32659
   D321       2.40248  -0.00007  -0.00163  -0.00180  -0.00346   2.39903
   D322      -0.51816  -0.00003   0.00144  -0.00111   0.00031  -0.51786
   D323       1.55271  -0.00003   0.00243  -0.00053   0.00187   1.55458
   D324      -0.57324   0.00003  -0.00465  -0.00067  -0.00531  -0.57855
   D325       1.49764   0.00003  -0.00366  -0.00009  -0.00375   1.49389
   D326      -0.04339  -0.00005   0.00996   0.00213   0.01205  -0.03133
   D327       2.13302  -0.00001   0.01090   0.00275   0.01365   2.14667
   D328       0.29267  -0.00004   0.00876   0.00199   0.01073   0.30341
   D329       2.46909  -0.00001   0.00970   0.00261   0.01233   2.48141
   D330       0.65010  -0.00004   0.00906   0.00224   0.01132   0.66142
   D331       2.82652  -0.00001   0.01000   0.00286   0.01291   2.83943
   D332       0.93407  -0.00003   0.00875   0.00228   0.01105   0.94512
   D333       3.11048   0.00000   0.00968   0.00290   0.01264   3.12312
   D334       0.29968  -0.00004   0.00707   0.00126   0.00829   0.30797
   D335       2.47609  -0.00001   0.00801   0.00188   0.00989   2.48598
   D336       0.65828  -0.00002   0.00925   0.00194   0.01119   0.66947
   D337       2.83469   0.00001   0.01018   0.00256   0.01279   2.84748
   D338      -2.43964  -0.00006   0.00854   0.00151   0.01008  -2.42956
   D339      -0.26323  -0.00003   0.00947   0.00213   0.01167  -0.25156
   D340      -2.03684  -0.00006   0.00717   0.00110   0.00831  -2.02853
   D341       0.13957  -0.00003   0.00811   0.00172   0.00991   0.14948
   D342      -1.98832  -0.00005   0.00836   0.00146   0.00985  -1.97847
   D343       0.18809  -0.00001   0.00930   0.00208   0.01144   0.19953
   D344      -1.70045  -0.00004   0.00977   0.00201   0.01180  -1.68866
   D345       0.47596   0.00000   0.01071   0.00263   0.01339   0.48935
   D346      -1.64048  -0.00006   0.00468   0.00034   0.00508  -1.63540
   D347       0.53593  -0.00003   0.00562   0.00096   0.00667   0.54260
   D348      -1.32518  -0.00004   0.00431   0.00024   0.00458  -1.32061
   D349       0.85123  -0.00001   0.00525   0.00086   0.00617   0.85740
   D350       1.70097  -0.00003   0.01310   0.00312   0.01623   1.71721
   D351      -2.40580   0.00000   0.01404   0.00374   0.01783  -2.38797
   D352       2.09122  -0.00002   0.01565   0.00398   0.01962   2.11083
   D353      -2.01556   0.00001   0.01659   0.00460   0.02121  -1.99435
   D354       2.21836  -0.00002   0.02446   0.00663   0.03104   2.24940
   D355      -1.88841   0.00001   0.02540   0.00725   0.03264  -1.85578
   D356       2.84473  -0.00002   0.02496   0.00641   0.03115   2.87588
   D357      -1.26204   0.00001   0.02590   0.00703   0.03274  -1.22930
   D358       2.45867  -0.00003   0.01239   0.00290   0.01526   2.47393
   D359      -1.64811   0.00000   0.01333   0.00351   0.01685  -1.63125
   D360       1.62290  -0.00003   0.00167   0.00065   0.00232   1.62522
   D361      -2.48387   0.00000   0.00261   0.00127   0.00391  -2.47996
   D362       1.72776  -0.00002   0.01045   0.00342   0.01384   1.74160
   D363      -2.37902   0.00001   0.01138   0.00404   0.01544  -2.36358
   D364       2.74025   0.00000   0.00138   0.00134   0.00271   2.74296
   D365      -1.36653   0.00003   0.00232   0.00196   0.00431  -1.36222
   D366       2.70028  -0.00008   0.01158   0.00140   0.01290   2.71317
   D367      -1.40650  -0.00005   0.01252   0.00202   0.01449  -1.39201
   D368       0.03569  -0.00001   0.00039  -0.00184  -0.00147   0.03421
   D369      -2.83097  -0.00001   0.01801   0.00686   0.02487  -2.80611
   D370       0.42645   0.00001   0.00024  -0.00140  -0.00119   0.42526
   D371      -2.44021   0.00001   0.01786   0.00729   0.02515  -2.41506
   D372       0.59654   0.00003   0.00136  -0.00076   0.00057   0.59711
   D373      -2.27011   0.00003   0.01898   0.00794   0.02691  -2.24320
   D374       0.87946   0.00004   0.00044  -0.00089  -0.00048   0.87898
   D375      -1.98720   0.00004   0.01806   0.00781   0.02585  -1.96134
   D376       0.71241  -0.00001  -0.00065  -0.00181  -0.00249   0.70993
   D377      -2.15424  -0.00001   0.01697   0.00689   0.02385  -2.13039
   D378       1.03680   0.00000  -0.00022  -0.00148  -0.00172   1.03508
   D379      -1.82985   0.00000   0.01740   0.00722   0.02462  -1.80524
   D380      -2.86426   0.00007   0.00216  -0.00079   0.00134  -2.86292
   D381       0.55227   0.00007   0.01979   0.00790   0.02768   0.57995
   D382      -2.30070   0.00005   0.00174  -0.00144   0.00025  -2.30044
   D383       1.11583   0.00006   0.01937   0.00726   0.02659   1.14242
   D384      -1.99101   0.00001  -0.00067  -0.00224  -0.00293  -1.99394
   D385       1.42552   0.00001   0.01695   0.00646   0.02341   1.44893
   D386      -1.63438  -0.00001  -0.00107  -0.00236  -0.00345  -1.63783
   D387       1.78215  -0.00001   0.01655   0.00634   0.02289   1.80503
   D388      -1.76147   0.00000   0.00031  -0.00342  -0.00310  -1.76458
   D389       1.65506   0.00001   0.01793   0.00528   0.02323   1.67829
   D390      -1.00098  -0.00012  -0.00677  -0.00606  -0.01275  -1.01373
   D391       2.41555  -0.00012   0.01086   0.00264   0.01359   2.42913
   D392       1.77961  -0.00002  -0.00031  -0.00189  -0.00220   1.77741
   D393      -1.08705  -0.00001   0.01731   0.00681   0.02414  -1.06291
   D394       2.07512   0.00000  -0.00027  -0.00159  -0.00187   2.07325
   D395      -0.79154   0.00000   0.01735   0.00711   0.02447  -0.76707
   D396       2.01250   0.00002   0.00038  -0.00104  -0.00064   2.01186
   D397      -0.85415   0.00002   0.01800   0.00766   0.02569  -0.82846
   D398       2.19545   0.00005   0.00066  -0.00078  -0.00007   2.19537
   D399      -0.67121   0.00005   0.01828   0.00792   0.02626  -0.64495
   D400       2.48238  -0.00001  -0.00038  -0.00178  -0.00217   2.48022
   D401      -0.38427   0.00000   0.01724   0.00692   0.02417  -0.36010
   D402      -1.43394  -0.00001  -0.01060  -0.00410  -0.01471  -1.44865
   D403       1.98259  -0.00001   0.00702   0.00460   0.01163   1.99421
   D404      -2.54690  -0.00011  -0.00590  -0.00354  -0.00938  -2.55628
   D405       0.86963  -0.00011   0.01172   0.00516   0.01695   0.88658
   D406      -2.92549  -0.00015   0.00162  -0.00307  -0.00152  -2.92701
   D407       0.49103  -0.00015   0.01924   0.00563   0.02482   0.51585
   D408       1.79885   0.00001  -0.00135   0.00181   0.00039   1.79923
   D409       2.28588   0.00004  -0.00089   0.00265   0.00170   2.28758
   D410       2.50146   0.00003  -0.00134   0.00291   0.00154   2.50300
   D411       2.74732   0.00003  -0.00245   0.00282   0.00034   2.74766
   D412       2.70635   0.00008   0.00130   0.00375   0.00498   2.71133
   D413      -3.10394   0.00009   0.00114   0.00456   0.00566  -3.09829
   D414      -0.86673   0.00001  -0.00294   0.00193  -0.00102  -0.86775
   D415      -0.48867   0.00001  -0.00317   0.00181  -0.00136  -0.49004
   D416      -0.17356   0.00002  -0.00295   0.00195  -0.00102  -0.17458
   D417       0.13507   0.00002  -0.00311   0.00190  -0.00124   0.13384
   D418      -0.35877   0.00001  -0.00359   0.00152  -0.00205  -0.36082
   D419      -0.04047   0.00000  -0.00439   0.00100  -0.00337  -0.04384
   D420      -2.66418   0.00001  -0.00216   0.00224   0.00006  -2.66413
   D421      -2.28520   0.00002  -0.00239   0.00233  -0.00008  -2.28529
   D422      -2.05228   0.00003  -0.00193   0.00290   0.00097  -2.05131
   D423      -1.73630   0.00004  -0.00229   0.00275   0.00049  -1.73581
   D424      -2.05855   0.00001  -0.00285   0.00170  -0.00118  -2.05973
   D425       1.35903   0.00005  -0.01314   0.00038  -0.01282   1.34622
   D426       2.49967  -0.00010  -0.00836   0.00023  -0.00811   2.49156
   D427       2.92490  -0.00006  -0.00182   0.00201   0.00018   2.92508
   D428      -3.08679   0.00002   0.00247   0.00095   0.00341  -3.08338
   D429       0.02151   0.00000   0.00443  -0.00059   0.00383   0.02534
   D430       0.03375  -0.00004   0.00332   0.00071   0.00404   0.03778
   D431      -3.14114  -0.00006   0.00528  -0.00082   0.00446  -3.13668
   D432      -0.00130   0.00000  -0.00123  -0.00223  -0.00345  -0.00476
   D433       2.09310  -0.00002  -0.00135  -0.00231  -0.00366   2.08944
   D434      -2.10529  -0.00001  -0.00168  -0.00223  -0.00391  -2.10920
   D435      -3.11117   0.00001  -0.00311  -0.00076  -0.00387  -3.11504
   D436      -1.01677   0.00000  -0.00323  -0.00084  -0.00407  -1.02084
   D437       1.06803   0.00001  -0.00356  -0.00076  -0.00433   1.06371
   D438      -2.37604   0.00002   0.00006   0.00244   0.00250  -2.37354
   D439      -0.28477   0.00000   0.00054   0.00237   0.00292  -0.28186
   D440       1.82215   0.00001   0.00036   0.00244   0.00281   1.82495
   D441       0.73383   0.00000   0.00193   0.00097   0.00290   0.73673
   D442       2.82510  -0.00002   0.00242   0.00090   0.00332   2.82842
   D443      -1.35116  -0.00001   0.00223   0.00097   0.00321  -1.34795
   D444      -0.01181   0.00000  -0.00027   0.00013  -0.00014  -0.01195
   D445       3.12017   0.00000   0.00050   0.00003   0.00053   3.12070
   D446      -3.13237   0.00001  -0.00025   0.00016  -0.00010  -3.13247
   D447      -0.00039   0.00000   0.00052   0.00006   0.00058   0.00019
   D448       2.44665   0.00001   0.00403   0.00172   0.00575   2.45240
   D449      -1.75077   0.00000   0.00401   0.00184   0.00584  -1.74493
   D450       0.35671   0.00001   0.00418   0.00197   0.00615   0.36286
   D451      -0.68579   0.00002   0.00330   0.00181   0.00510  -0.68069
   D452       1.39997   0.00001   0.00327   0.00193   0.00520   1.40517
   D453      -2.77573   0.00002   0.00345   0.00206   0.00550  -2.77023
   D454       2.07413  -0.00001  -0.00102  -0.00087  -0.00190   2.07223
   D455      -2.12369   0.00002  -0.00099  -0.00088  -0.00188  -2.12556
   D456      -0.03000  -0.00001  -0.00100  -0.00092  -0.00192  -0.03192
   D457      -1.07663  -0.00002  -0.00029  -0.00097  -0.00126  -1.07788
   D458       1.00874   0.00001  -0.00026  -0.00097  -0.00123   1.00751
   D459       3.10243  -0.00001  -0.00026  -0.00101  -0.00128   3.10115
   D460      -3.06653  -0.00003   0.00071  -0.00061   0.00010  -3.06643
   D461      -0.02977  -0.00001   0.00009   0.00056   0.00065  -0.02912
   D462       0.08769   0.00002   0.00030  -0.00033  -0.00004   0.08765
   D463       3.12445   0.00005  -0.00032   0.00083   0.00051   3.12496
   D464       1.91246   0.00000   0.00042   0.00129   0.00172   1.91417
   D465      -2.28814   0.00002   0.00003   0.00146   0.00149  -2.28664
   D466      -0.19532   0.00001   0.00014   0.00150   0.00165  -0.19367
   D467      -1.12840  -0.00002   0.00105   0.00019   0.00124  -1.12715
   D468       0.95419   0.00000   0.00066   0.00036   0.00102   0.95521
   D469       3.04701  -0.00001   0.00077   0.00041   0.00117   3.04818
   D470      -1.60412  -0.00001   0.00678   0.00149   0.00827  -1.59585
   D471       0.50110  -0.00002   0.00704   0.00120   0.00824   0.50934
   D472       2.59050  -0.00001   0.00647   0.00124   0.00772   2.59822
   D473       1.43713   0.00001   0.00616   0.00260   0.00877   1.44590
   D474      -2.74083   0.00000   0.00642   0.00232   0.00874  -2.73209
   D475      -0.65143   0.00002   0.00585   0.00236   0.00822  -0.64321
   D476       0.01149  -0.00003   0.00108   0.00156   0.00266   0.01415
   D477      -3.10415   0.00002  -0.00208   0.00393   0.00184  -3.10232
   D478       3.13044  -0.00007   0.00053   0.00239   0.00286   3.13330
   D479       0.01479  -0.00002  -0.00262   0.00476   0.00203   0.01683
   D480      -0.14817  -0.00003  -0.01759  -0.00844  -0.02596  -0.17413
   D481       1.95737  -0.00012  -0.01688  -0.00826  -0.02516   1.93220
   D482      -2.25102  -0.00003  -0.01717  -0.00728  -0.02441  -2.27542
   D483       2.96864  -0.00008  -0.01461  -0.01070  -0.02519   2.94345
   D484      -1.20901  -0.00017  -0.01389  -0.01053  -0.02439  -1.23340
   D485       0.86579  -0.00008  -0.01418  -0.00955  -0.02364   0.84216
   D486       0.01570  -0.00002  -0.01608   0.00064  -0.01542   0.00028
   D487       2.10835   0.00000  -0.01682   0.00024  -0.01657   2.09178
   D488      -2.08890  -0.00004  -0.01603   0.00040  -0.01558  -2.10447
   D489      -3.10136   0.00004  -0.01905   0.00289  -0.01618  -3.11754
   D490      -1.00870   0.00005  -0.01978   0.00249  -0.01734  -1.02605
   D491       1.07724   0.00001  -0.01899   0.00265  -0.01635   1.06089
         Item               Value     Threshold  Converged?
 Maximum Force            0.000328     0.000450     YES
 RMS     Force            0.000041     0.000300     YES
 Maximum Displacement     0.082728     0.001800     NO 
 RMS     Displacement     0.007642     0.001200     NO 
 Predicted change in Energy=-2.811839D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:55:09 2016, MaxMem=  2952790016 cpu:         5.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.876224   -0.626660    1.698530
      2          6           0       -2.155879    0.996884   -1.432691
      3          8           0       -2.600415    0.015416   -2.052004
      4          7           0       -0.897729    1.110156   -0.924997
      5          1           0       -2.780231    1.887295   -1.217965
      6          6           0       -0.486380    2.278784   -0.146031
      7          1           0       -1.325738    2.983304   -0.068030
      8          1           0       -0.181467    1.960885    0.864199
      9          1           0        0.369084    2.778289   -0.629628
     10          6           0        0.098549    0.050854   -1.096575
     11          1           0        0.623671   -0.113256   -0.143057
     12          1           0       -0.404929   -0.875844   -1.401538
     13          1           0        0.839623    0.338059   -1.861009
     14          6           0       -1.965714   -4.062589    2.619276
     15          8           0       -2.132732   -3.915017    3.842100
     16          7           0       -2.879575   -3.765513    1.656142
     17          1           0       -1.014686   -4.443466    2.197443
     18          6           0       -4.203761   -3.235675    1.991794
     19          1           0       -4.473652   -2.462252    1.255566
     20          1           0       -4.962747   -4.035155    1.961750
     21          1           0       -4.176594   -2.794001    2.996697
     22          6           0       -2.586563   -3.948163    0.234362
     23          1           0       -3.285624   -4.677212   -0.207247
     24          1           0       -2.699726   -2.987838   -0.295553
     25          1           0       -1.555709   -4.308948    0.112485
     26          6           0        1.532267    0.358503    2.623854
     27          8           0        1.378885    1.372263    3.325800
     28          7           0        1.137430   -0.899686    2.958970
     29          1           0        2.010225    0.401349    1.625239
     30          6           0        1.443604   -2.049685    2.107749
     31          1           0        2.196383   -2.695883    2.590025
     32          1           0        0.531066   -2.644256    1.944007
     33          1           0        1.825744   -1.698871    1.139352
     34          6           0        0.501286   -1.175394    4.250204
     35          1           0        1.254677   -1.453293    5.006934
     36          1           0       -0.040137   -0.281647    4.586356
     37          1           0       -0.204331   -2.009771    4.127574
     38          6           0       -4.494383    1.421029    2.854020
     39          8           0       -4.674386    2.095658    1.826765
     40          7           0       -3.418546    1.503472    3.684340
     41          1           0       -5.217805    0.646708    3.180688
     42          6           0       -2.323806    2.448038    3.451113
     43          1           0       -2.440582    2.898713    2.458318
     44          1           0       -2.332657    3.235633    4.223206
     45          1           0       -1.360476    1.916860    3.510533
     46          6           0       -3.286627    0.622995    4.844515
     47          1           0       -4.153187   -0.050957    4.897193
     48          1           0       -2.367476    0.021086    4.755261
     49          1           0       -3.227252    1.218931    5.769864
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.538170   0.000000
     3  O    3.873399   1.242756   0.000000
     4  N    3.294978   1.361442   2.316839   0.000000
     5  H    3.955141   1.108492   2.057155   2.057568   0.000000
     6  C    3.711560   2.466980   3.636580   1.463450   2.562042
     7  H    4.056551   2.548980   3.790688   2.103870   2.153865
     8  H    3.203701   3.178570   4.259155   2.106655   3.330825
     9  H    4.696318   3.192765   4.298202   2.115354   3.325386
    10  C    3.488749   2.467872   2.863304   1.464285   3.416815
    11  H    3.147142   3.259059   3.749049   2.103052   4.091966
    12  H    3.440527   2.563963   2.457155   2.100986   3.648383
    13  H    4.580047   3.096860   3.460411   2.119114   3.989609
    14  C    3.558285   6.484818   6.233284   6.360799   7.126639
    15  O    3.933698   7.207685   7.099823   7.035823   7.725952
    16  N    3.295590   5.722329   5.303178   5.861923   6.342287
    17  H    3.944511   6.639097   6.360343   6.372286   7.406801
    18  C    3.508617   5.816827   5.430710   6.190619   6.210782
    19  H    3.211269   4.956251   4.537387   5.504924   5.282480
    20  H    4.605838   6.687463   6.172354   7.164629   7.067488
    21  H    3.416768   6.170379   5.988869   6.432191   6.451956
    22  C    3.698751   5.236225   4.575764   5.457369   6.016589
    23  H    4.693120   5.913832   5.088555   6.301654   6.661061
    24  H    3.198388   4.179338   3.480591   4.520725   4.962283
    25  H    4.022129   5.558743   4.947378   5.556618   6.454687
    26  C    3.666685   5.519557   6.249834   4.366258   5.974481
    27  O    4.152039   5.939587   6.826173   4.829176   6.181367
    28  N    3.278012   5.807714   6.318129   4.823540   6.368840
    29  H    4.020778   5.202117   5.910081   3.932214   5.765441
    30  C    3.635069   5.896828   6.158107   4.966286   6.663406
    31  H    4.654307   6.982905   7.204779   6.034471   7.763568
    32  H    3.150556   5.646208   5.731329   4.936421   6.441872
    33  H    3.894468   5.453056   5.719651   4.423740   6.295437
    34  C    3.530539   6.638872   7.124353   5.827838   7.074553
    35  H    4.629406   7.687914   8.176029   6.811162   8.135685
    36  H    3.439446   6.506914   7.121172   5.748704   6.775144
    37  H    3.257066   6.615517   6.930352   5.978564   7.099097
    38  C    3.518940   4.901468   5.443522   5.226235   4.442610
    39  O    3.906043   4.263125   4.865554   4.775620   3.591883
    40  N    3.295400   5.294806   5.982416   5.268321   4.958565
    41  H    3.870971   5.548087   5.884753   5.977833   5.179669
    42  C    3.567302   5.097607   6.023161   4.793117   4.724728
    43  H    3.650209   4.340271   5.355554   4.126275   3.827974
    44  H    4.636769   6.085427   7.058311   5.751579   5.623583
    45  H    3.165256   5.090627   6.007892   4.531979   4.937132
    46  C    3.667164   6.389186   6.957156   6.263500   6.213579
    47  H    3.968305   6.719721   7.120875   6.770827   6.560259
    48  H    3.162990   6.267991   6.811252   5.967543   6.271566
    49  H    4.669822   7.285186   7.938702   7.089406   7.033938
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098616   0.000000
     8  H    1.102087   1.795480   0.000000
     9  H    1.102356   1.797177   1.789630   0.000000
    10  C    2.491856   3.418444   2.751593   2.780310   0.000000
    11  H    2.637059   3.659852   2.442309   2.943229   1.100856
    12  H    3.396264   4.185589   3.637380   3.814135   1.097844
    13  H    2.909613   3.860167   3.332109   2.773522   1.102741
    14  C    7.074487   7.568077   6.522735   7.924914   5.915162
    15  O    7.548432   7.970394   6.870338   8.429458   6.715449
    16  N    6.746016   7.136786   6.379545   7.655055   5.568782
    17  H    7.138601   7.770845   6.594505   7.877873   5.682320
    18  C    6.985590   7.155528   6.667425   7.996907   6.232910
    19  H    6.351397   6.427702   6.175772   7.380333   5.723050
    20  H    8.021623   8.161287   7.747112   9.031427   7.187874
    21  H    7.016236   7.134226   6.566393   8.053808   6.566957
    22  C    6.582579   7.051692   6.410775   7.397802   4.997336
    23  H    7.498360   7.908479   7.405952   8.313831   5.882019
    24  H    5.714767   6.131407   5.672434   6.540444   4.207806
    25  H    6.678960   7.298110   6.462540   7.381361   4.817289
    26  C    3.928699   4.722713   2.932729   4.218235   3.998973
    27  O    4.044082   4.629095   2.973323   4.317640   4.789862
    28  N    4.730799   5.505228   3.782912   5.195757   4.293046
    29  H    3.590988   4.545581   2.795505   3.664371   3.344491
    30  C    5.247858   6.142822   4.502438   5.653067   4.060682
    31  H    6.279373   7.191923   5.506191   6.608460   5.053365
    32  H    5.444243   6.258231   4.783410   6.004484   4.086053
    33  H    4.777013   5.771687   4.183111   5.029523   3.323268
    34  C    5.677475   6.267371   4.665558   6.281867   5.500358
    35  H    6.596417   7.217838   5.557101   7.103618   6.391550
    36  H    5.399114   5.828892   4.347801   6.061119   5.694339
    37  H    6.060937   6.617510   5.139674   6.773868   5.624024
    38  C    5.079384   4.584690   4.780384   6.134432   6.211248
    39  O    4.633018   3.948621   4.596849   5.651234   5.958863
    40  N    4.885740   4.544230   4.317535   5.880614   6.110418
    41  H    6.009751   5.582296   5.697181   7.090519   6.849353
    42  C    4.042800   3.696893   3.393974   4.900324   5.682937
    43  H    3.314491   2.762691   2.919646   4.176617   5.214858
    44  H    4.838856   4.415004   4.187544   5.573021   6.659853
    45  H    3.776969   3.734250   2.897427   4.568848   5.180365
    46  C    5.957229   5.792171   5.222536   6.926453   6.861728
    47  H    6.656372   6.469517   6.007255   7.681232   7.349346
    48  H    5.714752   5.755353   4.866397   6.639876   6.350288
    49  H    6.605564   6.388252   5.821756   7.504580   7.718377
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795364   0.000000
    13  H    1.789324   1.798217   0.000000
    14  C    5.471072   5.362680   6.878123   0.000000
    15  O    6.158946   6.302191   7.710318   1.242969   0.000000
    16  N    5.371110   4.880928   6.560647   1.360523   2.314852
    17  H    5.187761   5.104154   6.540067   1.107910   2.057712
    18  C    6.132796   5.613789   7.283639   2.467058   2.859073
    19  H    5.784171   5.111888   6.766512   3.272695   3.778966
    20  H    7.142798   6.485881   8.210115   3.068435   3.399873
    21  H    6.331429   6.103216   7.653074   2.576771   2.479668
    22  C    5.015432   4.107900   5.873758   2.467055   3.636321
    23  H    6.009693   4.916822   6.701160   3.179490   4.278705
    24  H    4.396754   3.309050   5.102865   3.192192   4.278004
    25  H    4.734853   3.924635   5.588110   2.552019   3.794492
    26  C    2.950237   4.634665   4.538080   5.637548   5.760148
    27  O    3.848387   5.530252   5.316330   6.420524   6.368150
    28  N    3.241140   4.625307   4.985268   4.443968   4.534985
    29  H    2.305259   4.077446   3.678075   6.059946   6.380405
    30  C    3.080288   4.136432   4.670884   3.992104   4.390628
    31  H    4.075919   5.100190   5.554935   4.380844   4.668534
    32  H    3.281824   3.898209   4.844332   2.949842   3.509047
    33  H    2.367218   3.479855   3.758149   4.706643   5.280689
    34  C    4.521489   5.731766   6.304914   4.133027   3.822320
    35  H    5.358756   6.645016   7.109842   4.783331   4.346431
    36  H    4.778739   6.028351   6.536553   4.676834   4.258432
    37  H    4.745592   5.647752   6.516538   3.097014   2.725836
    38  C    6.126253   6.333169   7.201107   6.043123   5.918368
    39  O    6.068683   6.122094   6.862444   6.774141   6.830065
    40  N    5.796749   6.372534   7.088095   5.850310   5.571196
    41  H    6.763702   6.817531   7.887104   5.750544   5.546573
    42  C    5.307157   6.186963   6.532836   6.573314   6.377919
    43  H    5.022823   5.769718   5.997773   6.979336   6.959636
    44  H    6.246534   7.228978   7.448286   7.481396   7.163589
    45  H    4.626763   5.730681   6.015523   6.075728   5.892122
    46  C    6.380311   7.040162   7.878527   5.352681   4.788513
    47  H    6.944522   7.375900   8.411468   5.105599   4.486248
    48  H    5.740952   6.523975   7.359415   4.626040   4.047453
    49  H    7.181014   7.986400   8.691699   6.277909   5.592108
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056803   0.000000
    18  C    1.465217   3.416321   0.000000
    19  H    2.097625   4.095947   1.101388   0.000000
    20  H    2.122665   3.976110   1.102783   1.792186   0.000000
    21  H    2.103137   3.654751   1.098018   1.797175   1.797114
    22  C    1.463104   2.563164   2.492295   2.609960   2.938994
    23  H    2.113833   3.315771   2.785101   2.908140   2.815941
    24  H    2.108611   3.342640   2.748728   2.414338   3.363563
    25  H    2.104951   2.158206   3.419927   3.637487   3.886212
    26  C    6.116234   5.452311   6.798502   6.774949   7.869423
    27  O    6.878879   6.389449   7.360611   7.296681   8.444945
    28  N    5.103592   4.215435   5.909364   6.068561   6.930928
    29  H    6.424471   5.740185   7.209433   7.097713   8.271526
    30  C    4.673103   3.432407   5.771720   5.992524   6.708557
    31  H    5.270824   3.676836   6.450666   6.806227   7.310370
    32  H    3.601743   2.385526   4.771860   5.055124   5.667177
    33  H    5.165085   4.089058   6.280394   6.346546   7.226214
    34  C    4.986792   4.146358   5.610939   5.947593   6.578062
    35  H    5.802259   4.688750   6.485560   6.921308   7.388878
    36  H    5.365248   4.896671   5.726586   5.958628   6.723798
    37  H    4.043208   3.210132   4.696789   5.165294   5.606736
    38  C    5.562620   6.850670   4.744764   4.199447   5.548464
    39  O    6.132193   7.502729   5.354609   4.597946   6.139075
    40  N    5.671533   6.584488   5.093210   4.768560   6.002355
    41  H    5.221040   6.674043   4.185050   3.731687   4.844658
    42  C    6.491458   7.125890   6.161853   5.792514   7.156396
    43  H    6.726671   7.483904   6.399778   5.858322   7.395027
    44  H    7.476964   8.050423   7.096341   6.771753   8.055800
    45  H    6.167317   6.503655   6.077783   5.826952   7.127522
    46  C    5.439708   6.151238   4.885538   4.879378   5.728706
    47  H    5.091604   6.035973   4.311186   4.379325   5.014584
    48  H    4.919870   5.320216   4.649213   4.780252   5.567067
    49  H    6.472115   7.051268   5.922068   5.956803   6.717075
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389806   0.000000
    23  H    3.821724   1.102369   0.000000
    24  H    3.613534   1.102652   1.790268   0.000000
    25  H    4.181242   1.098945   1.797346   1.794603   0.000000
    26  C    6.532104   6.420421   7.522343   6.134387   6.134140
    27  O    6.951935   7.320430   8.416425   6.982818   7.156353
    28  N    5.641693   5.530355   6.622540   5.447574   5.194087
    29  H    7.097033   6.479448   7.562791   6.112255   6.098460
    30  C    5.738541   4.832809   5.884616   4.880899   4.252203
    31  H    6.386692   5.476671   6.465508   5.690666   4.776859
    32  H    4.826245   3.787172   4.829899   3.946099   3.237330
    33  H    6.377860   5.034558   6.067119   4.919376   4.393312
    34  C    5.106243   5.774950   6.817059   5.847678   5.583110
    35  H    5.944514   6.614903   7.628609   6.790324   6.325241
    36  H    5.094036   6.234379   7.268618   6.183035   6.207386
    37  H    4.203899   4.958779   5.949814   5.171814   4.820102
    38  C    4.229400   6.271412   6.929718   5.707776   6.998889
    39  O    5.052257   6.589577   7.206777   5.851961   7.326929
    40  N    4.417665   6.504988   7.304997   6.043850   7.071955
    41  H    3.599507   6.059464   6.599663   5.624491   6.883556
    42  C    5.578377   7.164351   8.067087   6.612683   7.575835
    43  H    5.975833   7.200486   8.075517   6.504033   7.631272
    44  H    6.423465   8.220844   9.118672   7.699709   8.626841
    45  H    5.512418   6.828989   7.810882   6.351059   7.095459
    46  C    3.985264   6.529861   7.322056   6.308952   7.050691
    47  H    3.337172   6.275709   6.943358   6.140231   6.911644
    48  H    3.780234   6.020089   6.895179   5.888526   6.400276
    49  H    4.969439   7.599416   8.396057   7.400302   8.084395
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242563   0.000000
    28  N    1.360602   2.314004   0.000000
    29  H    1.107931   2.057467   2.057499   0.000000
    30  C    2.464467   3.632845   1.463153   2.561531   0.000000
    31  H    3.125935   4.214200   2.117505   3.249356   1.103103
    32  H    3.237462   4.331348   2.107452   3.400769   1.101386
    33  H    2.553950   3.796327   2.103207   2.163571   1.098588
    34  C    2.461865   2.848730   1.465599   3.413716   2.498492
    35  H    3.006448   3.290198   2.124708   3.930192   2.965914
    36  H    2.594930   2.517547   2.101671   3.665881   3.386878
    37  H    3.299344   3.819367   2.097200   4.120611   2.607101
    38  C    6.123924   5.892387   6.092130   6.697729   6.918271
    39  O    6.494275   6.277937   6.635599   6.898936   7.395447
    40  N    5.190967   4.812600   5.201755   5.909834   6.225036
    41  H    6.779129   6.638057   6.544425   7.397569   7.266093
    42  C    4.463162   3.857839   4.840415   5.128994   6.018931
    43  H    4.718431   4.203677   5.242199   5.171124   6.300511
    44  H    5.076755   4.248885   5.544426   5.800278   6.831537
    45  H    3.403328   2.799074   3.804825   4.148824   5.056101
    46  C    5.312535   4.963356   5.044414   6.202379   6.083436
    47  H    6.136784   5.924412   5.698042   6.992705   6.565058
    48  H    4.456988   4.231342   4.044607   5.394988   5.081510
    49  H    5.769813   5.216652   5.607148   6.728857   6.775827
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.786976   0.000000
    33  H    1.798850   1.793715   0.000000
    34  C    2.818056   2.734409   3.421348   0.000000
    35  H    2.876159   3.365045   3.917220   1.103388   0.000000
    36  H    3.849142   3.590294   4.167958   1.097689   1.796158
    37  H    2.932275   2.389843   3.625925   1.099599   1.792107
    38  C    7.860344   6.527619   7.253817   5.800642   6.778529
    39  O    8.411237   7.041113   7.557954   6.584863   7.606728
    40  N    7.096446   5.985972   6.650905   4.781382   5.686012
    41  H    8.154261   6.738645   7.699374   6.096878   7.045438
    42  C    6.901704   6.029356   6.305542   4.663578   5.517835
    43  H    7.267619   6.310286   6.409288   5.335147   6.252226
    44  H    7.639526   6.925948   7.152047   5.243007   5.955604
    45  H    5.897117   5.180321   5.371034   3.684469   4.520638
    46  C    6.794194   5.801953   6.727230   4.235055   4.996077
    47  H    7.255047   6.114634   7.251525   4.831881   5.587807
    48  H    5.735763   4.838259   5.797943   3.149038   3.918816
    49  H    7.406279   6.609566   7.449025   4.684459   5.273569
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795509   0.000000
    38  C    5.073500   5.638872   0.000000
    39  O    5.894335   6.490737   1.242086   0.000000
    40  N    3.926058   4.782313   1.361489   2.319138   0.000000
    41  H    5.444813   5.752251   1.108884   2.056178   2.055490
    42  C    3.735653   4.982152   2.474403   2.878872   1.464601
    43  H    4.517230   5.646277   2.560904   2.456346   2.099105
    44  H    4.214117   5.661553   3.136960   3.539233   2.114217
    45  H    2.781029   4.139546   3.240097   3.721430   2.106360
    46  C    3.380047   4.116553   2.461220   3.633377   1.462412
    47  H    4.131225   4.474677   2.541204   3.782477   2.104035
    48  H    2.353015   3.032749   3.177781   4.266354   2.109287
    49  H    3.716198   4.718017   3.185688   4.290789   2.113519
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419524   0.000000
    43  H    3.647782   1.096534   0.000000
    44  H    4.014157   1.102955   1.799998   0.000000
    45  H    4.074441   1.101674   1.799394   1.786672   0.000000
    46  C    2.549183   2.489854   3.404206   2.849905   2.676500
    47  H    2.136946   3.418006   4.193052   3.817102   3.687054
    48  H    3.315880   2.755505   3.682666   3.258467   2.481402
    49  H    3.315655   2.775522   3.795636   2.694353   3.012728
                   46         47         48         49
    46  C    0.000000
    47  H    1.099051   0.000000
    48  H    1.102315   1.792792   0.000000
    49  H    1.102241   1.797645   1.789823   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2140479      0.1892036      0.1856399
 Leave Link  202 at Mon Nov 14 00:55:09 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1846.5329348379 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1837588039 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.3491760339 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4051
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.97D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     222
 GePol: Fraction of low-weight points (<1% of avg)   =       5.48%
 GePol: Cavity surface area                          =    466.776 Ang**2
 GePol: Cavity volume                                =    458.208 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039944263 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.3451816076 Hartrees.
 Leave Link  301 at Mon Nov 14 00:55:09 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37498.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:55:10 2016, MaxMem=  2952790016 cpu:        15.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:55:11 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000008    0.005695   -0.000489
         Rot=    1.000000   -0.000327    0.000027   -0.000398 Ang=  -0.06 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50912226262    
 Leave Link  401 at Mon Nov 14 00:55:17 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49231803.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   3715.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.16D-15 for   2470    799.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.07D-14 for   3379.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.12D-08 for   1422   1418.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.05D-14 for    233.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.19D-14 for   1239    233.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2875.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.38D-16 for   3004   1366.
 E= -1013.45033694936    
 DIIS: error= 5.54D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45033694936     IErMin= 1 ErrMin= 5.54D-04
 ErrMax= 5.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-04 BMatP= 3.94D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.54D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=3.95D-03              OVMax= 5.98D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.04D-04    CP:  1.00D+00
 E= -1013.45099974371     Delta-E=       -0.000662794343 Rises=F Damp=F
 DIIS: error= 6.28D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45099974371     IErMin= 2 ErrMin= 6.28D-05
 ErrMax= 6.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.13D-06 BMatP= 3.94D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.164D-01 0.984D+00
 Coeff:      0.164D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.83D-05 MaxDP=1.23D-03 DE=-6.63D-04 OVMax= 1.71D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.80D-05    CP:  1.00D+00  9.72D-01
 E= -1013.45098474033     Delta-E=        0.000015003373 Rises=F Damp=F
 DIIS: error= 1.88D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45099974371     IErMin= 2 ErrMin= 6.28D-05
 ErrMax= 1.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-05 BMatP= 5.13D-06
 IDIUse=3 WtCom= 4.22D-01 WtEn= 5.78D-01
 Coeff-Com:  0.200D-02 0.697D+00 0.301D+00
 Coeff-En:   0.000D+00 0.774D+00 0.226D+00
 Coeff:      0.845D-03 0.741D+00 0.258D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.17D-05 MaxDP=8.86D-04 DE= 1.50D-05 OVMax= 1.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.47D-06    CP:  1.00D+00  9.77D-01  4.28D-01
 E= -1013.45100402882     Delta-E=       -0.000019288485 Rises=F Damp=F
 DIIS: error= 2.52D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45100402882     IErMin= 4 ErrMin= 2.52D-05
 ErrMax= 2.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-07 BMatP= 5.13D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.856D-04 0.270D+00 0.102D+00 0.627D+00
 Coeff:     -0.856D-04 0.270D+00 0.102D+00 0.627D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.50D-06 MaxDP=1.49D-04 DE=-1.93D-05 OVMax= 1.82D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.69D-06    CP:  1.00D+00  9.81D-01  3.83D-01  7.07D-01
 E= -1013.45100421794     Delta-E=       -0.000000189119 Rises=F Damp=F
 DIIS: error= 2.50D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45100421794     IErMin= 5 ErrMin= 2.50D-05
 ErrMax= 2.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-07 BMatP= 3.25D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.504D-04 0.141D+00 0.507D-01 0.425D+00 0.384D+00
 Coeff:     -0.504D-04 0.141D+00 0.507D-01 0.425D+00 0.384D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.70D-07 MaxDP=7.39D-05 DE=-1.89D-07 OVMax= 9.27D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.19D-07    CP:  1.00D+00  9.81D-01  3.78D-01  7.30D-01  5.98D-01
 E= -1013.45100433493     Delta-E=       -0.000000116996 Rises=F Damp=F
 DIIS: error= 1.58D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45100433493     IErMin= 6 ErrMin= 1.58D-06
 ErrMax= 1.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-09 BMatP= 1.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.264D-04 0.461D-01 0.166D-01 0.148D+00 0.161D+00 0.628D+00
 Coeff:     -0.264D-04 0.461D-01 0.166D-01 0.148D+00 0.161D+00 0.628D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.38D-07 MaxDP=6.71D-06 DE=-1.17D-07 OVMax= 1.02D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.25D-07    CP:  1.00D+00  9.81D-01  3.80D-01  7.33D-01  5.95D-01
                    CP:  9.18D-01
 E= -1013.45100433589     Delta-E=       -0.000000000957 Rises=F Damp=F
 DIIS: error= 6.58D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45100433589     IErMin= 7 ErrMin= 6.58D-07
 ErrMax= 6.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-10 BMatP= 1.31D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-04 0.829D-02 0.310D-02 0.299D-01 0.412D-01 0.351D+00
 Coeff-Com:  0.567D+00
 Coeff:     -0.117D-04 0.829D-02 0.310D-02 0.299D-01 0.412D-01 0.351D+00
 Coeff:      0.567D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.82D-08 MaxDP=2.72D-06 DE=-9.57D-10 OVMax= 3.30D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.08D-08    CP:  1.00D+00  9.81D-01  3.80D-01  7.34D-01  5.97D-01
                    CP:  9.31D-01  7.25D-01
 E= -1013.45100433618     Delta-E=       -0.000000000287 Rises=F Damp=F
 DIIS: error= 9.81D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45100433618     IErMin= 8 ErrMin= 9.81D-08
 ErrMax= 9.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.95D-12 BMatP= 2.80D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.479D-05 0.200D-02 0.836D-03 0.769D-02 0.124D-01 0.134D+00
 Coeff-Com:  0.263D+00 0.580D+00
 Coeff:     -0.479D-05 0.200D-02 0.836D-03 0.769D-02 0.124D-01 0.134D+00
 Coeff:      0.263D+00 0.580D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.44D-08 MaxDP=1.05D-06 DE=-2.87D-10 OVMax= 1.64D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.23D-08    CP:  1.00D+00  9.81D-01  3.80D-01  7.34D-01  5.99D-01
                    CP:  9.32D-01  7.28D-01  7.76D-01
 E= -1013.45100433617     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 1.24D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45100433618     IErMin= 8 ErrMin= 9.81D-08
 ErrMax= 1.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.54D-12 BMatP= 9.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.232D-05 0.544D-03 0.280D-03 0.233D-02 0.467D-02 0.622D-01
 Coeff-Com:  0.138D+00 0.465D+00 0.327D+00
 Coeff:     -0.232D-05 0.544D-03 0.280D-03 0.233D-02 0.467D-02 0.622D-01
 Coeff:      0.138D+00 0.465D+00 0.327D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.95D-09 MaxDP=6.55D-07 DE= 7.73D-12 OVMax= 1.01D-06

 Error on total polarization charges =  0.04267
 SCF Done:  E(RB97D) =  -1013.45100434     A.U. after    9 cycles
            NFock=  9  Conv=0.79D-08     -V/T= 2.0213
 KE= 9.923557700991D+02 PE=-6.024108706246D+03 EE= 2.171956750203D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:57:10 2016, MaxMem=  2952790016 cpu:      1288.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37498.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     364
 Leave Link  701 at Mon Nov 14 00:57:19 2016, MaxMem=  2952790016 cpu:        98.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 00:57:19 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 00:57:55 2016, MaxMem=  2952790016 cpu:       439.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.54540140D+00-2.78286917D+00 3.47023432D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000426743    0.000839770   -0.000442206
      2        6          -0.000127629    0.000027968   -0.000125421
      3        8           0.000045982    0.000017186    0.000035154
      4        7           0.000155422    0.000025892   -0.000088665
      5        1           0.000033669   -0.000052994    0.000199083
      6        6           0.000165140    0.000061669    0.000224144
      7        1           0.000032213   -0.000007345    0.000010150
      8        1           0.000064077    0.000018127    0.000111777
      9        1          -0.000016835   -0.000039826   -0.000082907
     10        6           0.000126319   -0.000157369   -0.000033291
     11        1           0.000034046   -0.000142172    0.000052040
     12        1          -0.000006881    0.000014659    0.000051109
     13        1           0.000031867    0.000014869    0.000047000
     14        6           0.000001603    0.000013864    0.000030329
     15        8          -0.000026131   -0.000015353   -0.000029318
     16        7          -0.000094598    0.000011665    0.000015054
     17        1          -0.000020031    0.000001676   -0.000020072
     18        6          -0.000015341    0.000056205    0.000003140
     19        1          -0.000051769    0.000089706    0.000017221
     20        1          -0.000012051    0.000015205   -0.000062449
     21        1          -0.000018880    0.000009307   -0.000024575
     22        6          -0.000103660    0.000000631    0.000079028
     23        1           0.000029834    0.000015606   -0.000081477
     24        1          -0.000025077    0.000035538   -0.000025986
     25        1           0.000010443    0.000029602   -0.000021555
     26        6           0.000030801    0.000100183    0.000040912
     27        8          -0.000063821   -0.000011679    0.000046095
     28        7           0.000081422   -0.000107151    0.000078977
     29        1          -0.000056809   -0.000032577    0.000013055
     30        6          -0.000056243   -0.000146498    0.000027732
     31        1           0.000029735    0.000054816    0.000030074
     32        1          -0.000048596   -0.000023671   -0.000021007
     33        1          -0.000000892    0.000001659    0.000023756
     34        6          -0.000103075   -0.000046239   -0.000027354
     35        1          -0.000035384   -0.000041722    0.000028969
     36        1           0.000031244    0.000006690    0.000026015
     37        1          -0.000030094   -0.000006510    0.000015208
     38        6           0.000019927    0.000133597   -0.000103248
     39        8           0.000159468    0.000133948   -0.000013171
     40        7          -0.000474270    0.000049380    0.000100261
     41        1           0.000033732   -0.000046985   -0.000083014
     42        6          -0.000339394   -0.000558475    0.000225433
     43        1           0.000156692    0.000008634    0.000011665
     44        1          -0.000171562    0.000097219   -0.000130619
     45        1          -0.000340944    0.000029663   -0.000016764
     46        6           0.000123925   -0.000454294   -0.000006371
     47        1          -0.000022327   -0.000070716    0.000010547
     48        1           0.000417058    0.000019474   -0.000126526
     49        1           0.000020936    0.000027169    0.000012070
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000839770 RMS     0.000141778
 Leave Link  716 at Mon Nov 14 00:57:55 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000218508 RMS     0.000036499
 Search for a local minimum.
 Step number  15 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .36499D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   11   12   13   14   15
 DE= -3.82D-05 DEPred=-2.81D-05 R= 1.36D+00
 TightC=F SS=  1.41D+00  RLast= 2.10D-01 DXNew= 2.2445D+00 6.3093D-01
 Trust test= 1.36D+00 RLast= 2.10D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00047   0.00193   0.00350   0.00365   0.00395
     Eigenvalues ---    0.00407   0.00548   0.00655   0.00729   0.00770
     Eigenvalues ---    0.00871   0.00897   0.00916   0.00974   0.01020
     Eigenvalues ---    0.01024   0.01054   0.01205   0.01261   0.01340
     Eigenvalues ---    0.01356   0.01400   0.01512   0.01531   0.01558
     Eigenvalues ---    0.01592   0.01741   0.01774   0.01789   0.01861
     Eigenvalues ---    0.01899   0.01945   0.02022   0.02078   0.02142
     Eigenvalues ---    0.02179   0.02227   0.02279   0.02724   0.02896
     Eigenvalues ---    0.02952   0.03386   0.03474   0.03656   0.04154
     Eigenvalues ---    0.04269   0.04525   0.05059   0.05238   0.05651
     Eigenvalues ---    0.05752   0.06063   0.06079   0.06233   0.06785
     Eigenvalues ---    0.06991   0.07294   0.07731   0.07761   0.07966
     Eigenvalues ---    0.08110   0.08139   0.08230   0.08443   0.08498
     Eigenvalues ---    0.08552   0.08688   0.08772   0.08860   0.08969
     Eigenvalues ---    0.09096   0.09182   0.09728   0.09885   0.10037
     Eigenvalues ---    0.10061   0.10096   0.10221   0.10503   0.10548
     Eigenvalues ---    0.10575   0.10643   0.10823   0.11300   0.11436
     Eigenvalues ---    0.11544   0.11635   0.11851   0.12643   0.13362
     Eigenvalues ---    0.13496   0.14424   0.14674   0.15311   0.15667
     Eigenvalues ---    0.16225   0.16858   0.22108   0.23158   0.23801
     Eigenvalues ---    0.24035   0.24602   0.25105   0.25731   0.26555
     Eigenvalues ---    0.26991   0.27931   0.28695   0.29277   0.29818
     Eigenvalues ---    0.29925   0.30019   0.32721   0.32733   0.32822
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33385
     Eigenvalues ---    0.33416   0.33425   0.33447   0.33486   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33831   0.33895   0.33915
     Eigenvalues ---    0.33949   0.34000   0.34154   0.37189   0.39514
     Eigenvalues ---    0.40632   0.41523   0.85942   0.85989   0.86094
     Eigenvalues ---    0.87443
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    15   14   13   12   11
 RFO step:  Lambda=-4.74969114D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  7.35D-05 SmlDif=  1.00D-05
 RMS Error=  0.2140362439D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.46947   -2.08142    0.85218   -0.43557    0.19534
 Iteration  1 RMS(Cart)=  0.00564918 RMS(Int)=  0.00029796
 Iteration  2 RMS(Cart)=  0.00020701 RMS(Int)=  0.00002567
 Iteration  3 RMS(Cart)=  0.00000048 RMS(Int)=  0.00002566
 ITry= 1 IFail=0 DXMaxC= 6.69D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.68617  -0.00011  -0.00086  -0.00718  -0.00804   6.67813
    R2        6.22661  -0.00004  -0.00150  -0.00172  -0.00323   6.22338
    R3        7.01383  -0.00003   0.00221  -0.00105   0.00116   7.01499
    R4        6.05412   0.00003   0.00103  -0.00002   0.00102   6.05513
    R5        6.59278   0.00001  -0.00424  -0.00103  -0.00527   6.58751
    R6        5.94724   0.00001  -0.00712  -0.00094  -0.00806   5.93917
    R7        6.72418  -0.00001   0.00119   0.00044   0.00163   6.72581
    R8        6.22776  -0.00002   0.00049   0.00015   0.00065   6.22841
    R9        6.63032  -0.00002  -0.00193  -0.00061  -0.00255   6.62778
   R10        6.06842  -0.00001   0.00427   0.00098   0.00525   6.07367
   R11        6.98963  -0.00003   0.00274   0.00017   0.00291   6.99254
   R12        6.04408   0.00000   0.00446   0.00067   0.00512   6.04920
   R13        6.92903  -0.00004  -0.00114  -0.00203  -0.00317   6.92586
   R14        6.19454   0.00000  -0.00082   0.00003  -0.00079   6.19375
   R15        6.86928   0.00001  -0.00136  -0.00001  -0.00136   6.86792
   R16        5.95369   0.00000  -0.00290  -0.00054  -0.00344   5.95024
   R17        6.67175   0.00002  -0.00267  -0.00050  -0.00318   6.66857
   R18        6.64983  -0.00004   0.00931  -0.00033   0.00890   6.65873
   R19        6.22740   0.00000   0.00317   0.00039   0.00356   6.23097
   R20        6.74122  -0.00009  -0.01954  -0.00163  -0.02110   6.72013
   R21        5.98147  -0.00005   0.00044   0.00374   0.00422   5.98569
   R22        6.92994  -0.00008   0.01858   0.00067   0.01922   6.94916
   R23        5.97719  -0.00018   0.00973   0.00773   0.01746   5.99465
   R24        2.34847  -0.00001   0.00003  -0.00001   0.00002   2.34848
   R25        2.57275   0.00010  -0.00014   0.00010  -0.00004   2.57271
   R26        2.09475  -0.00002   0.00022  -0.00003   0.00019   2.09494
   R27        2.76552   0.00003  -0.00029   0.00003  -0.00025   2.76527
   R28        2.76710   0.00005  -0.00007   0.00011   0.00004   2.76713
   R29        2.07608  -0.00002   0.00002   0.00000   0.00002   2.07610
   R30        2.08264   0.00004  -0.00005   0.00003  -0.00002   2.08263
   R31        2.08315  -0.00001   0.00004  -0.00004   0.00001   2.08316
   R32        2.08032   0.00003  -0.00002   0.00011   0.00010   2.08041
   R33        2.07462   0.00001  -0.00001   0.00000  -0.00001   2.07461
   R34        2.08388  -0.00002   0.00000  -0.00005  -0.00004   2.08383
   R35        2.34887   0.00000   0.00006   0.00001   0.00007   2.34894
   R36        2.57102   0.00004  -0.00012  -0.00001  -0.00014   2.57087
   R37        2.09365  -0.00001   0.00001  -0.00001   0.00000   2.09364
   R38        2.76886   0.00000   0.00001   0.00004   0.00004   2.76890
   R39        2.76487   0.00001   0.00001  -0.00002  -0.00003   2.76484
   R40        2.08132   0.00002  -0.00005  -0.00004  -0.00009   2.08123
   R41        2.08396   0.00000   0.00002  -0.00002   0.00000   2.08396
   R42        2.07495   0.00002   0.00002   0.00002   0.00003   2.07499
   R43        2.08318   0.00000   0.00001   0.00001   0.00002   2.08320
   R44        2.08371   0.00004  -0.00002   0.00005   0.00003   2.08374
   R45        2.07670   0.00000   0.00001   0.00000   0.00000   2.07671
   R46        2.34810   0.00002   0.00002   0.00000   0.00002   2.34812
   R47        2.57117   0.00006   0.00003  -0.00002   0.00001   2.57118
   R48        2.09369   0.00000   0.00001  -0.00001   0.00001   2.09369
   R49        2.76496   0.00001   0.00008  -0.00002   0.00007   2.76503
   R50        2.76958   0.00000   0.00019  -0.00007   0.00012   2.76970
   R51        2.08456  -0.00001  -0.00001  -0.00001  -0.00002   2.08454
   R52        2.08132   0.00002   0.00029  -0.00011   0.00017   2.08149
   R53        2.07603   0.00000  -0.00002   0.00001  -0.00001   2.07602
   R54        2.08510   0.00001  -0.00003   0.00000  -0.00002   2.08508
   R55        2.07433   0.00000   0.00006   0.00004   0.00010   2.07443
   R56        2.07794  -0.00001  -0.00011  -0.00004  -0.00015   2.07779
   R57        2.34720   0.00005   0.00029   0.00022   0.00050   2.34770
   R58        2.57284  -0.00013  -0.00059  -0.00019  -0.00075   2.57209
   R59        2.09549  -0.00001  -0.00008   0.00001  -0.00008   2.09541
   R60        2.76769  -0.00015  -0.00004  -0.00016  -0.00028   2.76741
   R61        2.76356   0.00014   0.00015   0.00045   0.00049   2.76405
   R62        2.07215  -0.00001   0.00015   0.00021   0.00036   2.07251
   R63        2.08428  -0.00002   0.00007  -0.00011  -0.00004   2.08424
   R64        2.08186  -0.00008   0.00002  -0.00046  -0.00042   2.08144
   R65        2.07691   0.00003   0.00013  -0.00004   0.00009   2.07700
   R66        2.08307   0.00008  -0.00030   0.00039   0.00026   2.08334
   R67        2.08293   0.00004  -0.00009   0.00011   0.00002   2.08295
    A1        0.69286   0.00002  -0.00018   0.00035   0.00016   0.69302
    A2        0.97728   0.00003  -0.00032   0.00047   0.00014   0.97742
    A3        0.71758   0.00003   0.00032   0.00053   0.00085   0.71842
    A4        1.01228   0.00003   0.00046   0.00064   0.00109   1.01337
    A5        2.30514   0.00000   0.00091   0.00056   0.00147   2.30661
    A6        1.98405  -0.00001   0.00143   0.00057   0.00201   1.98607
    A7        1.94201  -0.00001   0.00198   0.00047   0.00246   1.94448
    A8        1.64716  -0.00002   0.00150   0.00028   0.00179   1.64894
    A9        1.61737  -0.00001   0.00130   0.00060   0.00191   1.61928
   A10        1.33527  -0.00002   0.00146   0.00060   0.00208   1.33735
   A11        1.74520   0.00001  -0.00043   0.00014  -0.00030   1.74490
   A12        2.03887   0.00002  -0.00026   0.00041   0.00014   2.03901
   A13        1.92991   0.00002  -0.00005   0.00062   0.00056   1.93047
   A14        2.00777   0.00001  -0.00042   0.00054   0.00011   2.00789
   A15        2.44054   0.00002  -0.00026   0.00027   0.00000   2.44054
   A16        1.53556  -0.00002   0.00653   0.00023   0.00676   1.54232
   A17        1.77184   0.00002   0.00417   0.00072   0.00488   1.77672
   A18        1.60017   0.00002   0.00077   0.00073   0.00150   1.60167
   A19        1.72214   0.00000   0.00504   0.00166   0.00669   1.72884
   A20        2.18028   0.00005   0.00310   0.00074   0.00385   2.18413
   A21        2.41736   0.00002   0.00294  -0.00015   0.00277   2.42013
   A22        0.65969   0.00002  -0.00004   0.00020   0.00016   0.65985
   A23        0.66357   0.00001   0.00041   0.00020   0.00061   0.66418
   A24        2.37819  -0.00001  -0.00020   0.00011  -0.00009   2.37809
   A25        2.19224   0.00000   0.00078   0.00042   0.00119   2.19344
   A26        2.28566   0.00000   0.00172   0.00067   0.00239   2.28805
   A27        2.01714   0.00000   0.00126   0.00054   0.00180   2.01894
   A28        1.78769   0.00000   0.00090   0.00041   0.00132   1.78901
   A29        1.53997  -0.00001   0.00133   0.00056   0.00190   1.54187
   A30        1.35232  -0.00001  -0.00039  -0.00025  -0.00064   1.35168
   A31        1.64792   0.00000  -0.00041  -0.00010  -0.00051   1.64741
   A32        1.59557  -0.00001  -0.00046  -0.00002  -0.00049   1.59508
   A33        1.74436  -0.00001  -0.00093  -0.00012  -0.00105   1.74331
   A34        2.04588   0.00000  -0.00027  -0.00015  -0.00042   2.04546
   A35        1.74738   0.00000   0.00835   0.00110   0.00945   1.75683
   A36        1.85258   0.00005   0.00594   0.00162   0.00754   1.86012
   A37        1.54491   0.00006   0.00284   0.00146   0.00431   1.54922
   A38        1.55464   0.00003   0.00665   0.00219   0.00884   1.56348
   A39        2.23655   0.00006   0.00350   0.00159   0.00508   2.24163
   A40        2.35696   0.00000   0.00391  -0.00041   0.00352   2.36048
   A41        0.70417   0.00002  -0.00005   0.00014   0.00009   0.70426
   A42        0.77279   0.00002   0.00020   0.00024   0.00043   0.77322
   A43        2.67678   0.00000  -0.00128  -0.00031  -0.00159   2.67520
   A44        2.59287   0.00001   0.00040   0.00041   0.00080   2.59368
   A45        2.63017   0.00001   0.00193   0.00090   0.00282   2.63299
   A46        2.32101   0.00000   0.00165   0.00081   0.00246   2.32347
   A47        2.18726   0.00000   0.00059   0.00042   0.00102   2.18828
   A48        1.94386  -0.00001   0.00110   0.00063   0.00173   1.94559
   A49        1.12297  -0.00001  -0.00089  -0.00058  -0.00147   1.12150
   A50        1.48271   0.00000  -0.00092  -0.00044  -0.00135   1.48136
   A51        1.59120  -0.00001  -0.00107  -0.00037  -0.00144   1.58976
   A52        1.82751   0.00000  -0.00142  -0.00044  -0.00186   1.82565
   A53        1.80152   0.00000  -0.00068  -0.00050  -0.00118   1.80035
   A54        1.55707   0.00000   0.00933   0.00146   0.01079   1.56787
   A55        1.53952   0.00005   0.00677   0.00185   0.00860   1.54812
   A56        1.17714   0.00006   0.00383   0.00161   0.00546   1.18260
   A57        1.15321   0.00002   0.00702   0.00218   0.00921   1.16242
   A58        1.87928   0.00005   0.00360   0.00168   0.00527   1.88454
   A59        1.95857  -0.00001   0.00417  -0.00053   0.00367   1.96225
   A60        0.84339   0.00003   0.00053   0.00029   0.00081   0.84420
   A61        0.78928   0.00002   0.00094   0.00035   0.00129   0.79058
   A62        2.60723  -0.00001  -0.00097  -0.00072  -0.00169   2.60554
   A63        2.75704   0.00001   0.00025   0.00004   0.00028   2.75732
   A64        2.59371   0.00001   0.00133   0.00094   0.00228   2.59599
   A65        2.38009   0.00001   0.00090   0.00034   0.00124   2.38133
   A66        2.17742   0.00000   0.00144   0.00069   0.00213   2.17955
   A67        0.87234  -0.00002  -0.00049  -0.00073  -0.00122   0.87112
   A68        1.24620  -0.00001  -0.00044  -0.00058  -0.00102   1.24518
   A69        1.43273  -0.00001  -0.00044  -0.00051  -0.00094   1.43179
   A70        1.70451  -0.00001  -0.00062  -0.00057  -0.00119   1.70332
   A71        1.52830  -0.00001  -0.00035  -0.00064  -0.00099   1.52731
   A72        1.57991   0.00000   0.00819   0.00153   0.00973   1.58963
   A73        1.45296   0.00005   0.00606   0.00187   0.00791   1.46088
   A74        1.04509   0.00006   0.00402   0.00171   0.00574   1.05083
   A75        0.94452   0.00003   0.00693   0.00222   0.00914   0.95365
   A76        1.72302   0.00003   0.00258   0.00158   0.00414   1.72717
   A77        1.74004  -0.00003   0.00367  -0.00080   0.00291   1.74295
   A78        1.99223  -0.00002  -0.00086  -0.00022  -0.00107   1.99116
   A79        1.92516  -0.00001  -0.00007  -0.00002  -0.00008   1.92507
   A80        2.19799  -0.00001   0.00076   0.00019   0.00095   2.19894
   A81        2.04691   0.00000   0.00035   0.00007   0.00042   2.04734
   A82        1.53674  -0.00001   0.00037   0.00005   0.00042   1.53716
   A83        1.35881  -0.00002   0.00102   0.00028   0.00131   1.36012
   A84        1.18513   0.00000   0.00020   0.00013   0.00034   1.18547
   A85        1.37336   0.00000  -0.00006   0.00014   0.00009   1.37345
   A86        1.21244  -0.00001  -0.00039   0.00007  -0.00031   1.21213
   A87        1.32254  -0.00002  -0.00106  -0.00014  -0.00120   1.32134
   A88        1.80087   0.00000   0.00014   0.00016   0.00030   1.80118
   A89        2.17878   0.00001   0.00861   0.00120   0.00980   2.18858
   A90        2.24232   0.00007   0.00665   0.00195   0.00858   2.25090
   A91        1.87261   0.00008   0.00418   0.00187   0.00605   1.87866
   A92        1.78274   0.00006   0.00742   0.00255   0.00996   1.79270
   A93        2.56594   0.00006   0.00320   0.00187   0.00504   2.57098
   A94        2.53642  -0.00003   0.00344  -0.00071   0.00277   2.53919
   A95        1.90595  -0.00002  -0.00157  -0.00062  -0.00219   1.90377
   A96        1.97109  -0.00001  -0.00081  -0.00043  -0.00124   1.96984
   A97        2.34223  -0.00001  -0.00012  -0.00023  -0.00035   2.34188
   A98        2.28502   0.00000  -0.00021  -0.00020  -0.00041   2.28461
   A99        1.63825  -0.00001  -0.00009  -0.00027  -0.00037   1.63789
   A100       1.53091  -0.00002   0.00074   0.00007   0.00082   1.53173
   A101       0.88335   0.00000   0.00031   0.00020   0.00052   0.88387
   A102       1.05677  -0.00001  -0.00024   0.00004  -0.00019   1.05658
   A103       0.93264  -0.00002  -0.00083  -0.00019  -0.00101   0.93163
   A104       1.09631  -0.00002  -0.00150  -0.00046  -0.00196   1.09436
   A105       1.48405  -0.00001  -0.00002   0.00007   0.00005   1.48410
   A106       2.32983   0.00002   0.00953   0.00171   0.01123   2.34106
   A107       2.23819   0.00007   0.00686   0.00224   0.00908   2.24727
   A108       1.81991   0.00009   0.00518   0.00213   0.00732   1.82723
   A109       1.64533   0.00007   0.00729   0.00258   0.00986   1.65519
   A110       2.42175   0.00003   0.00201   0.00172   0.00367   2.42543
   A111       2.28560  -0.00004   0.00261  -0.00081   0.00185   2.28745
   A112       0.71309   0.00001  -0.00001   0.00000  -0.00001   0.71308
   A113       1.00439   0.00001  -0.00020  -0.00004  -0.00025   1.00414
   A114       0.69270   0.00001  -0.00021  -0.00004  -0.00026   0.69244
   A115       0.97882   0.00002  -0.00026  -0.00002  -0.00028   0.97854
   A116       1.79007   0.00000  -0.00049  -0.00010  -0.00058   1.78948
   A117       1.41334  -0.00001  -0.00057  -0.00025  -0.00081   1.41253
   A118       1.17649  -0.00001  -0.00056  -0.00024  -0.00080   1.17568
   A119       0.90292  -0.00001  -0.00033  -0.00013  -0.00046   0.90246
   A120       1.24490  -0.00001  -0.00044  -0.00013  -0.00056   1.24433
   A121       2.04678   0.00000  -0.00792  -0.00109  -0.00901   2.03777
   A122       2.04482  -0.00005  -0.00575  -0.00171  -0.00745   2.03737
   A123       2.34899  -0.00004  -0.00234  -0.00154  -0.00390   2.34508
   A124       2.25481   0.00000  -0.00580  -0.00216  -0.00797   2.24684
   A125       1.66834  -0.00005  -0.00333  -0.00170  -0.00503   1.66331
   A126       1.51454  -0.00001  -0.00396  -0.00012  -0.00411   1.51043
   A127       0.65597   0.00001  -0.00034  -0.00008  -0.00041   0.65556
   A128       0.66074   0.00002  -0.00029  -0.00006  -0.00035   0.66039
   A129       2.14380   0.00001  -0.00023  -0.00002  -0.00025   2.14355
   A130       1.77779   0.00000  -0.00039  -0.00019  -0.00058   1.77720
   A131       1.47730   0.00000  -0.00024  -0.00013  -0.00037   1.47693
   A132       1.18499   0.00000  -0.00020  -0.00007  -0.00026   1.18472
   A133       1.63713   0.00000  -0.00055  -0.00016  -0.00071   1.63642
   A134       1.90915  -0.00001  -0.00738  -0.00115  -0.00854   1.90062
   A135       2.07249  -0.00006  -0.00621  -0.00185  -0.00805   2.06445
   A136       2.48004  -0.00007  -0.00428  -0.00182  -0.00611   2.47393
   A137       2.53629  -0.00003  -0.00743  -0.00261  -0.01004   2.52625
   A138       1.79108  -0.00005  -0.00331  -0.00187  -0.00517   1.78590
   A139       1.73168   0.00000  -0.00459   0.00010  -0.00453   1.72715
   A140       0.70429   0.00000  -0.00008   0.00003  -0.00005   0.70424
   A141       0.83975   0.00001  -0.00032  -0.00011  -0.00043   0.83932
   A142       2.49040   0.00001  -0.00083  -0.00019  -0.00102   2.48938
   A143       2.11274   0.00000  -0.00086  -0.00033  -0.00119   2.11155
   A144       1.88109   0.00000  -0.00039  -0.00018  -0.00057   1.88052
   A145       1.59496   0.00000  -0.00020  -0.00007  -0.00027   1.59470
   A146       1.84496   0.00000  -0.00125  -0.00037  -0.00163   1.84333
   A147       1.48238  -0.00001  -0.00734  -0.00119  -0.00853   1.47385
   A148       1.69090  -0.00006  -0.00612  -0.00183  -0.00793   1.68297
   A149       2.11370  -0.00008  -0.00489  -0.00176  -0.00666   2.10703
   A150       2.28867  -0.00006  -0.00770  -0.00255  -0.01025   2.27842
   A151       1.49728  -0.00004  -0.00301  -0.00185  -0.00484   1.49244
   A152       1.53927   0.00002  -0.00473   0.00033  -0.00446   1.53481
   A153       0.76230   0.00000  -0.00091  -0.00019  -0.00110   0.76120
   A154       0.77239   0.00001  -0.00133  -0.00041  -0.00174   0.77065
   A155       2.79425   0.00002  -0.00066  -0.00014  -0.00080   2.79346
   A156       2.41742   0.00000  -0.00079  -0.00030  -0.00109   2.41633
   A157       2.12994   0.00001  -0.00056  -0.00019  -0.00076   2.12919
   A158       1.83664   0.00001  -0.00059  -0.00014  -0.00073   1.83591
   A159       2.15981   0.00000  -0.00099  -0.00031  -0.00130   2.15851
   A160       1.34500  -0.00002  -0.00528  -0.00089  -0.00617   1.33883
   A161       1.64491  -0.00006  -0.00434  -0.00134  -0.00567   1.63925
   A162       2.04762  -0.00009  -0.00400  -0.00122  -0.00522   2.04240
   A163       2.30513  -0.00008  -0.00532  -0.00171  -0.00703   2.29810
   A164       1.57283  -0.00002  -0.00131  -0.00134  -0.00263   1.57020
   A165       1.69586   0.00004  -0.00337   0.00075  -0.00268   1.69318
   A166       2.11729   0.00002   0.00076   0.00023   0.00098   2.11828
   A167       1.82759   0.00001   0.00042   0.00006   0.00047   1.82806
   A168       1.43883   0.00001   0.00047   0.00009   0.00055   1.43938
   A169       1.16201   0.00000   0.00014   0.00006   0.00020   1.16221
   A170       1.85028   0.00000   0.00013   0.00005   0.00017   1.85045
   A171       2.10558  -0.00002  -0.00588  -0.00104  -0.00693   2.09865
   A172       2.38784  -0.00006  -0.00595  -0.00173  -0.00766   2.38018
   A173       2.80652  -0.00008  -0.00502  -0.00155  -0.00659   2.79993
   A174       2.17943  -0.00004  -0.00338  -0.00188  -0.00526   2.17417
   A175       2.13724   0.00001  -0.00478   0.00008  -0.00474   2.13250
   A176       2.20810   0.00001   0.00156   0.00057   0.00212   2.21022
   A177       1.99869   0.00001   0.00105   0.00037   0.00142   2.00011
   A178       1.58713   0.00001   0.00102   0.00039   0.00140   1.58853
   A179       1.34133   0.00000   0.00045   0.00028   0.00073   1.34206
   A180       2.10511   0.00001   0.00052   0.00026   0.00077   2.10588
   A181       2.02945  -0.00001  -0.00412  -0.00102  -0.00514   2.02431
   A182       2.39262  -0.00005  -0.00469  -0.00148  -0.00616   2.38646
   A183       2.71479  -0.00006  -0.00365  -0.00064  -0.00432   2.71048
   A184       2.32870  -0.00002  -0.00308  -0.00190  -0.00496   2.32374
   A185       2.36558   0.00003  -0.00509   0.00014  -0.00501   2.36058
   A186       0.68850   0.00001   0.00017   0.00013   0.00030   0.68881
   A187       0.97896   0.00001   0.00027   0.00010   0.00038   0.97934
   A188       0.69723   0.00001   0.00012   0.00008   0.00021   0.69743
   A189       2.04027   0.00000   0.00342   0.00058   0.00401   2.04428
   A190       1.68034   0.00004   0.00268   0.00079   0.00345   1.68378
   A191       1.32954   0.00006   0.00348   0.00075   0.00422   1.33376
   A192       1.03347   0.00006   0.00306   0.00083   0.00389   1.03737
   A193       1.62029  -0.00001  -0.00049   0.00063   0.00010   1.62039
   A194       1.41565  -0.00006   0.00145  -0.00121   0.00032   1.41596
   A195       0.66687   0.00000   0.00036   0.00002   0.00037   0.66724
   A196       2.22210   0.00001   0.00034   0.00021   0.00055   2.22265
   A197       1.82597   0.00003   0.00075   0.00025   0.00098   1.82694
   A198       1.56903   0.00006   0.00284   0.00038   0.00321   1.57223
   A199       1.26297   0.00007   0.00100   0.00014   0.00114   1.26411
   A200       1.62292  -0.00002  -0.00170  -0.00001  -0.00175   1.62117
   A201       1.35743  -0.00006   0.00006  -0.00128  -0.00116   1.35627
   A202       0.71175   0.00000   0.00036   0.00006   0.00042   0.71217
   A203       2.62667   0.00001  -0.00075   0.00004  -0.00072   2.62595
   A204       2.23020   0.00003   0.00025   0.00006   0.00029   2.23048
   A205       1.97871   0.00006   0.00311   0.00048   0.00358   1.98229
   A206       1.67229   0.00007   0.00151   0.00029   0.00180   1.67409
   A207       1.96934  -0.00003  -0.00228  -0.00043  -0.00274   1.96660
   A208       1.68426  -0.00005  -0.00083  -0.00122  -0.00200   1.68226
   A209       0.83606   0.00000   0.00086   0.00019   0.00105   0.83711
   A210       2.72769   0.00001  -0.00488  -0.00057  -0.00545   2.72224
   A211       2.38126   0.00001  -0.00121  -0.00044  -0.00167   2.37959
   A212       2.22629   0.00005   0.00292   0.00022   0.00312   2.22941
   A213       1.92357   0.00007   0.00079  -0.00005   0.00074   1.92431
   A214       2.03225  -0.00004  -0.00241  -0.00080  -0.00324   2.02902
   A215       1.74621  -0.00005  -0.00130  -0.00092  -0.00218   1.74403
   A216       1.93280   0.00001  -0.00288  -0.00032  -0.00320   1.92960
   A217       1.55091   0.00001  -0.00146  -0.00044  -0.00191   1.54900
   A218       1.43374   0.00003   0.00122  -0.00041   0.00080   1.43455
   A219       1.16083   0.00005  -0.00220  -0.00101  -0.00320   1.15763
   A220       1.25764  -0.00003  -0.00261  -0.00048  -0.00312   1.25452
   A221       0.97394  -0.00006  -0.00100  -0.00130  -0.00224   0.97170
   A222       0.71328  -0.00006   0.00050  -0.00020   0.00030   0.71357
   A223       1.00706  -0.00006   0.00033  -0.00021   0.00012   1.00718
   A224       0.69798   0.00005  -0.00163   0.00028  -0.00134   0.69664
   A225       0.98597   0.00006  -0.00269   0.00057  -0.00214   0.98383
   A226       0.66302  -0.00002  -0.00073  -0.00025  -0.00100   0.66202
   A227       0.66418   0.00003  -0.00103  -0.00032  -0.00134   0.66285
   A228       0.70218  -0.00001  -0.00018   0.00007  -0.00010   0.70208
   A229       0.83553  -0.00002   0.00178  -0.00132   0.00048   0.83601
   A230       0.79221  -0.00002  -0.00470  -0.00073  -0.00544   0.78677
   A231       0.80586  -0.00004  -0.00295  -0.00278  -0.00568   0.80018
   A232       1.67791  -0.00003  -0.00299  -0.00110  -0.00409   1.67381
   A233       1.81489  -0.00014   0.00441  -0.00166   0.00275   1.81764
   A234       2.19211  -0.00003   0.00012   0.00003   0.00017   2.19228
   A235       2.12873   0.00005  -0.00016  -0.00004  -0.00022   2.12851
   A236       1.96215  -0.00002   0.00005  -0.00002   0.00004   1.96220
   A237       2.12314  -0.00003  -0.00014  -0.00022  -0.00034   2.12280
   A238       2.12337   0.00000   0.00033   0.00010   0.00041   2.12378
   A239       2.03623   0.00002  -0.00016   0.00005  -0.00011   2.03612
   A240       1.75241  -0.00002   0.00281   0.00011   0.00292   1.75533
   A241       2.61262   0.00003  -0.00296   0.00006  -0.00291   2.60972
   A242       1.91254  -0.00001   0.00014  -0.00017  -0.00003   1.91251
   A243       1.91276   0.00002  -0.00015   0.00037   0.00022   1.91299
   A244       1.92459   0.00001   0.00037  -0.00027   0.00008   1.92467
   A245       1.90845  -0.00002  -0.00027  -0.00006  -0.00033   1.90812
   A246       1.91078  -0.00001   0.00017  -0.00004   0.00013   1.91090
   A247       1.89455   0.00000  -0.00027   0.00018  -0.00008   1.89448
   A248       1.36846  -0.00004   0.00103   0.00018   0.00121   1.36967
   A249       1.90806  -0.00002   0.00000   0.00002   0.00002   1.90807
   A250       1.90834  -0.00001   0.00013  -0.00009   0.00004   1.90838
   A251       1.92842   0.00002  -0.00037   0.00000  -0.00037   1.92805
   A252       1.91084  -0.00002   0.00015  -0.00003   0.00012   1.91097
   A253       1.89515   0.00001   0.00002   0.00003   0.00005   1.89520
   A254       1.91291   0.00002   0.00007   0.00007   0.00014   1.91305
   A255       1.71459   0.00000  -0.00069  -0.00011  -0.00080   1.71380
   A256       1.78426   0.00000   0.00096   0.00024   0.00120   1.78547
   A257       2.18985  -0.00002  -0.00011  -0.00004  -0.00014   2.18970
   A258       2.13026   0.00000   0.00003   0.00001   0.00004   2.13030
   A259       1.96288   0.00003   0.00008   0.00003   0.00011   1.96299
   A260       2.12214   0.00002  -0.00014  -0.00004  -0.00018   2.12196
   A261       2.12485  -0.00001   0.00010  -0.00002   0.00007   2.12492
   A262       2.03616  -0.00001   0.00005   0.00006   0.00012   2.03627
   A263       1.32943   0.00000  -0.00451  -0.00125  -0.00576   1.32367
   A264       1.89891   0.00001  -0.00038  -0.00008  -0.00046   1.89846
   A265       1.93222   0.00000   0.00029  -0.00001   0.00028   1.93250
   A266       1.91001   0.00000   0.00000   0.00005   0.00005   1.91006
   A267       1.89888  -0.00001   0.00014   0.00005   0.00019   1.89907
   A268       1.91279   0.00000  -0.00011  -0.00014  -0.00026   1.91253
   A269       1.91089   0.00000   0.00006   0.00012   0.00018   1.91107
   A270       2.63471   0.00002   0.00078   0.00065   0.00143   2.63614
   A271       1.73004  -0.00001  -0.00070  -0.00063  -0.00133   1.72871
   A272       1.92287   0.00001   0.00003   0.00009   0.00012   1.92299
   A273       1.91530   0.00003  -0.00018  -0.00007  -0.00027   1.91504
   A274       1.91412  -0.00001  -0.00007  -0.00002  -0.00009   1.91402
   A275       1.89482   0.00000   0.00011   0.00005   0.00015   1.89497
   A276       1.91060   0.00000   0.00008  -0.00001   0.00006   1.91067
   A277       1.90593  -0.00003   0.00004  -0.00003   0.00002   1.90595
   A278       1.82040  -0.00004  -0.00004  -0.00048  -0.00052   1.81988
   A279       1.75580  -0.00005  -0.00023  -0.00033  -0.00057   1.75523
   A280       2.18890  -0.00001  -0.00013   0.00002  -0.00011   2.18879
   A281       2.13043   0.00003   0.00005   0.00004   0.00009   2.13053
   A282       1.96378  -0.00002   0.00008  -0.00006   0.00002   1.96380
   A283       2.12093   0.00000   0.00015   0.00013   0.00027   2.12120
   A284       2.11404  -0.00001  -0.00050  -0.00024  -0.00074   2.11330
   A285       2.04376   0.00001   0.00047   0.00023   0.00070   2.04446
   A286       2.69467   0.00003  -0.00160  -0.00037  -0.00197   2.69270
   A287       1.66437  -0.00002   0.00161   0.00042   0.00203   1.66640
   A288       1.92717   0.00001   0.00009  -0.00006   0.00002   1.92719
   A289       1.91496   0.00000   0.00048   0.00004   0.00052   1.91548
   A290       1.91201  -0.00001  -0.00007   0.00000  -0.00007   1.91194
   A291       1.89038   0.00002  -0.00029   0.00014  -0.00015   1.89023
   A292       1.91248  -0.00001  -0.00013  -0.00006  -0.00019   1.91229
   A293       1.90661  -0.00001  -0.00008  -0.00005  -0.00014   1.90647
   A294       1.33114   0.00001  -0.00518  -0.00099  -0.00617   1.32496
   A295       1.16495   0.00001   0.00398   0.00075   0.00473   1.16968
   A296       1.93397   0.00001   0.00025   0.00005   0.00029   1.93426
   A297       1.90787   0.00001  -0.00006  -0.00031  -0.00037   1.90750
   A298       1.89972   0.00000  -0.00020   0.00013  -0.00007   1.89965
   A299       1.90903  -0.00002  -0.00032  -0.00007  -0.00038   1.90865
   A300       1.90025  -0.00001   0.00041   0.00005   0.00047   1.90072
   A301       1.91289   0.00001  -0.00008   0.00015   0.00007   1.91296
   A302       1.72370   0.00000  -0.00594  -0.00133  -0.00728   1.71643
   A303       1.74750  -0.00009   0.00934   0.00176   0.01107   1.75857
   A304       2.19692   0.00010  -0.00021  -0.00114  -0.00137   2.19554
   A305       2.12747   0.00004   0.00046   0.00049   0.00098   2.12845
   A306       1.95858  -0.00014  -0.00024   0.00067   0.00043   1.95900
   A307       2.13244  -0.00015  -0.00026  -0.00128  -0.00150   2.13094
   A308       2.11606   0.00022   0.00009   0.00130   0.00142   2.11748
   A309       2.03443  -0.00007   0.00023  -0.00004   0.00007   2.03449
   A310       1.49351   0.00000  -0.02339  -0.00499  -0.02833   1.46518
   A311       2.85920   0.00009   0.02247   0.00508   0.02753   2.88673
   A312       1.90672   0.00003   0.00061  -0.00019   0.00039   1.90711
   A313       1.92097  -0.00002  -0.00013   0.00151   0.00123   1.92219
   A314       1.91140   0.00006  -0.00208   0.00015  -0.00197   1.90943
   A315       1.91714  -0.00008   0.00023  -0.00039  -0.00009   1.91705
   A316       1.91784  -0.00006  -0.00100  -0.00102  -0.00198   1.91586
   A317       1.88973   0.00007   0.00236  -0.00005   0.00241   1.89214
   A318       1.70661  -0.00002   0.01241  -0.00590   0.00653   1.71314
   A319       1.91357  -0.00009   0.00033  -0.00010  -0.00007   1.91350
   A320       1.91743  -0.00005  -0.00139  -0.00020  -0.00166   1.91578
   A321       1.92341  -0.00001   0.00016  -0.00001   0.00025   1.92366
   A322       1.90339   0.00013   0.00003   0.00036   0.00065   1.90404
   A323       1.91110   0.00005  -0.00048   0.00036  -0.00006   1.91104
   A324       1.89471  -0.00003   0.00135  -0.00040   0.00090   1.89561
   A325       2.91930   0.00002   0.00166   0.00094   0.00260   2.92190
   A326       3.33952   0.00000   0.00634   0.00226   0.00860   3.34812
   A327       3.05741  -0.00001   0.00650   0.00227   0.00877   3.06618
   A328       3.28137  -0.00001   0.00110   0.00025   0.00135   3.28272
   A329       3.24032   0.00000  -0.00445  -0.00113  -0.00558   3.23474
   A330       3.24017   0.00000  -0.00550  -0.00106  -0.00656   3.23361
   A331       3.61771   0.00003   0.01193  -0.00554   0.00647   3.62418
   A332       3.21556   0.00000  -0.00003  -0.00045  -0.00048   3.21508
   A333       3.09760  -0.00008  -0.00467  -0.00144  -0.00612   3.09148
   A334       3.04629  -0.00007  -0.00539  -0.00163  -0.00703   3.03926
   A335       3.23341   0.00000   0.00109  -0.00021   0.00087   3.23428
   A336       3.07967   0.00000   0.00106   0.00029   0.00135   3.08102
   A337       3.10789   0.00000   0.00205   0.00036   0.00241   3.11030
   A338       3.03751   0.00002   0.00111   0.00187   0.00304   3.04055
    D1        2.74900  -0.00002   0.00124   0.00018   0.00141   2.75042
    D2       -1.35013  -0.00002   0.00124  -0.00079   0.00045  -1.34967
    D3        2.73518  -0.00001   0.00251   0.00049   0.00300   2.73818
    D4       -1.36395  -0.00001   0.00251  -0.00047   0.00204  -1.36191
    D5        1.62761  -0.00002   0.00146   0.00059   0.00204   1.62966
    D6       -2.47151  -0.00002   0.00146  -0.00038   0.00108  -2.47043
    D7        1.78352  -0.00002   0.00142   0.00043   0.00185   1.78537
    D8       -2.31561  -0.00002   0.00143  -0.00053   0.00089  -2.31472
    D9        0.25434  -0.00001   0.00396   0.00115   0.00510   0.25943
   D10        2.43839  -0.00001   0.00396   0.00018   0.00414   2.44253
   D11       -0.01703  -0.00001   0.00305   0.00108   0.00412  -0.01291
   D12        2.16703  -0.00002   0.00305   0.00011   0.00316   2.17019
   D13       -0.48038  -0.00001   0.00254   0.00094   0.00348  -0.47690
   D14        1.70368  -0.00001   0.00255  -0.00003   0.00252   1.70619
   D15       -0.60100  -0.00001   0.00319   0.00128   0.00446  -0.59654
   D16        1.58305  -0.00001   0.00319   0.00031   0.00350   1.58655
   D17        0.16226  -0.00001   0.00234   0.00112   0.00345   0.16571
   D18        2.34631  -0.00001   0.00234   0.00015   0.00249   2.34880
   D19        0.11094   0.00000   0.00161   0.00093   0.00254   0.11348
   D20        2.29500   0.00000   0.00162  -0.00003   0.00158   2.29658
   D21        2.29932   0.00001   0.00335   0.00152   0.00487   2.30419
   D22       -1.79981   0.00001   0.00336   0.00055   0.00391  -1.79590
   D23        2.04663   0.00000   0.00347   0.00160   0.00506   2.05169
   D24       -2.05250   0.00000   0.00347   0.00063   0.00410  -2.04840
   D25        1.60953   0.00000   0.00332   0.00144   0.00475   1.61428
   D26       -2.48960  -0.00001   0.00332   0.00047   0.00379  -2.48581
   D27        1.30245  -0.00001   0.00320   0.00139   0.00459   1.30704
   D28       -2.79668  -0.00001   0.00321   0.00043   0.00363  -2.79305
   D29        2.23753   0.00000   0.00416   0.00222   0.00638   2.24391
   D30       -1.86160   0.00000   0.00417   0.00125   0.00542  -1.85618
   D31       -1.94242   0.00001   0.00799   0.00216   0.01016  -1.93226
   D32        0.24163   0.00000   0.00800   0.00120   0.00920   0.25083
   D33       -2.26331   0.00006   0.00692   0.00253   0.00942  -2.25389
   D34       -0.07926   0.00005   0.00692   0.00156   0.00846  -0.07080
   D35       -2.65289   0.00007   0.00703   0.00241   0.00942  -2.64347
   D36       -0.46884   0.00007   0.00703   0.00144   0.00846  -0.46037
   D37       -2.93535   0.00007   0.00701   0.00256   0.00957  -2.92578
   D38       -0.75129   0.00007   0.00701   0.00160   0.00861  -0.74268
   D39       -2.22774   0.00002   0.00338   0.00264   0.00598  -2.22176
   D40       -0.04368   0.00002   0.00338   0.00167   0.00502  -0.03866
   D41       -2.45071  -0.00006   0.00545  -0.00017   0.00539  -2.44533
   D42       -0.26666  -0.00006   0.00546  -0.00114   0.00443  -0.26223
   D43        1.32504  -0.00003  -0.00149  -0.00079  -0.00227   1.32277
   D44       -1.98403  -0.00002  -0.00086   0.00057  -0.00028  -1.98431
   D45        2.48016  -0.00001  -0.00075  -0.00024  -0.00099   2.47916
   D46       -0.82891   0.00000  -0.00012   0.00112   0.00100  -0.82792
   D47        2.94283  -0.00001  -0.00065  -0.00026  -0.00091   2.94193
   D48       -0.36623   0.00000  -0.00003   0.00111   0.00108  -0.36515
   D49        2.83399   0.00002   0.00219   0.00180   0.00399   2.83798
   D50       -0.47507   0.00003   0.00282   0.00316   0.00597  -0.46910
   D51        2.02479   0.00000   0.00239   0.00148   0.00388   2.02867
   D52       -1.28428   0.00001   0.00302   0.00285   0.00587  -1.27841
   D53        1.15731  -0.00002   0.00058   0.00044   0.00102   1.15833
   D54       -2.15176  -0.00001   0.00120   0.00181   0.00301  -2.14875
   D55        1.03915  -0.00002   0.00081   0.00052   0.00134   1.04048
   D56       -2.26992  -0.00001   0.00143   0.00189   0.00332  -2.26660
   D57        2.02601  -0.00001   0.00031   0.00072   0.00104   2.02705
   D58       -1.28306   0.00000   0.00093   0.00209   0.00303  -1.28003
   D59        1.85310  -0.00001  -0.00063   0.00024  -0.00039   1.85271
   D60       -1.45597   0.00000  -0.00001   0.00160   0.00160  -1.45437
   D61       -2.31142   0.00000   0.00061   0.00058   0.00119  -2.31023
   D62        0.66270   0.00001   0.00123   0.00194   0.00318   0.66588
   D63       -2.43379   0.00000   0.00023   0.00052   0.00076  -2.43304
   D64        0.54032   0.00001   0.00086   0.00188   0.00274   0.54307
   D65       -2.83376  -0.00001   0.00007   0.00054   0.00061  -2.83315
   D66        0.14036   0.00000   0.00069   0.00190   0.00259   0.14296
   D67       -3.00964  -0.00001  -0.00043   0.00052   0.00010  -3.00955
   D68       -0.03553   0.00000   0.00020   0.00189   0.00209  -0.03344
   D69       -2.14683   0.00000   0.00025   0.00061   0.00086  -2.14598
   D70        0.82728   0.00001   0.00087   0.00197   0.00284   0.83013
   D71       -0.20712   0.00001  -0.00046   0.00060   0.00014  -0.20698
   D72        2.76699   0.00002   0.00017   0.00196   0.00213   2.76912
   D73       -0.60383   0.00002   0.00037   0.00061   0.00096  -0.60287
   D74        2.37029   0.00003   0.00099   0.00197   0.00294   2.37323
   D75       -0.82823   0.00005   0.00330   0.00095   0.00424  -0.82400
   D76        2.14588   0.00006   0.00393   0.00232   0.00622   2.15211
   D77       -1.16097   0.00007   0.00203   0.00096   0.00297  -1.15800
   D78        1.81315   0.00008   0.00265   0.00232   0.00495   1.81810
   D79       -0.83624  -0.00003  -0.00214   0.00023  -0.00195  -0.83819
   D80        2.13788  -0.00002  -0.00151   0.00160   0.00004   2.13792
   D81       -1.13192  -0.00007  -0.00097  -0.00098  -0.00189  -1.13382
   D82        1.84219  -0.00006  -0.00035   0.00039   0.00010   1.84229
   D83       -1.49908   0.00000   0.00041   0.00021   0.00062  -1.49846
   D84       -2.59349   0.00000   0.00092   0.00011   0.00102  -2.59246
   D85       -2.95087  -0.00001   0.00176   0.00012   0.00187  -2.94899
   D86        0.71915   0.00001   0.00267   0.00115   0.00382   0.72297
   D87        0.30101   0.00000   0.00270   0.00117   0.00387   0.30488
   D88       -0.07797   0.00001   0.00324   0.00129   0.00453  -0.07344
   D89       -0.40664   0.00000   0.00312   0.00126   0.00438  -0.40225
   D90        0.18182   0.00000   0.00191   0.00098   0.00290   0.18472
   D91       -0.04497  -0.00001   0.00146   0.00076   0.00223  -0.04274
   D92        2.36529   0.00002   0.00251   0.00117   0.00368   2.36897
   D93        2.02183   0.00001   0.00227   0.00102   0.00329   2.02512
   D94        1.62443   0.00001   0.00227   0.00106   0.00333   1.62776
   D95        1.33928   0.00000   0.00189   0.00102   0.00291   1.34219
   D96        2.03173   0.00000   0.00214   0.00105   0.00319   2.03492
   D97       -2.02945   0.00002   0.00519   0.00173   0.00694  -2.02250
   D98       -2.51991   0.00004   0.00275   0.00131   0.00406  -2.51585
   D99       -2.75477   0.00005   0.00437   0.00106   0.00542  -2.74935
   D100      -3.05787   0.00006   0.00110   0.00045   0.00156  -3.05632
   D101      -2.90278  -0.00007  -0.00280   0.00022  -0.00268  -2.90547
   D102       2.86008  -0.00010  -0.00311  -0.00059  -0.00367   2.85641
   D103      -2.87944   0.00003  -0.00258  -0.00007  -0.00265  -2.88210
   D104       1.21408   0.00003  -0.00267  -0.00012  -0.00280   1.21128
   D105       2.85896  -0.00001  -0.00311  -0.00101  -0.00411   2.85485
   D106       0.66930  -0.00001  -0.00320  -0.00106  -0.00426   0.66504
   D107       2.37068  -0.00002  -0.00396  -0.00189  -0.00585   2.36483
   D108       0.18102  -0.00002  -0.00406  -0.00194  -0.00599   0.17503
   D109       1.78688  -0.00003  -0.00250  -0.00136  -0.00385   1.78304
   D110      -0.40278  -0.00003  -0.00259  -0.00141  -0.00399  -0.40677
   D111       2.61906   0.00000  -0.00206  -0.00047  -0.00253   2.61653
   D112       0.42940   0.00000  -0.00215  -0.00052  -0.00267   0.42673
   D113       2.29029   0.00000  -0.00184  -0.00038  -0.00221   2.28807
   D114       0.10063   0.00000  -0.00193  -0.00043  -0.00236   0.09827
   D115      -1.60989   0.00001   0.00003   0.00005   0.00008  -1.60981
   D116       2.48363   0.00001  -0.00006   0.00000  -0.00006   2.48357
   D117      -1.77797   0.00001  -0.00124  -0.00028  -0.00152  -1.77949
   D118       2.31555   0.00001  -0.00133  -0.00033  -0.00166   2.31389
   D119      -2.73511   0.00002   0.00000  -0.00002  -0.00003  -2.73514
   D120       1.35841   0.00002  -0.00009  -0.00008  -0.00017   1.35824
   D121      -2.71120   0.00001   0.00027   0.00021   0.00047  -2.71073
   D122       1.38233   0.00001   0.00018   0.00016   0.00033   1.38265
   D123       1.37658   0.00000  -0.00202  -0.00055  -0.00257   1.37401
   D124      -0.81308   0.00000  -0.00211  -0.00061  -0.00272  -0.81580
   D125       1.34126   0.00000  -0.00195  -0.00057  -0.00253   1.33874
   D126      -0.84840   0.00000  -0.00205  -0.00062  -0.00267  -0.85107
   D127       1.69533   0.00001  -0.00176  -0.00055  -0.00231   1.69302
   D128      -0.49433   0.00001  -0.00185  -0.00060  -0.00245  -0.49678
   D129       1.81888   0.00001  -0.00092  -0.00036  -0.00128   1.81761
   D130      -0.37078   0.00001  -0.00101  -0.00041  -0.00142  -0.37220
   D131       0.93572   0.00000  -0.00229  -0.00066  -0.00295   0.93277
   D132      -1.25394   0.00000  -0.00238  -0.00071  -0.00309  -1.25703
   D133      -0.88400   0.00000  -0.00054  -0.00047  -0.00102  -0.88502
   D134      -3.07366   0.00000  -0.00063  -0.00052  -0.00116  -3.07482
   D135      -0.43680  -0.00003  -0.00284  -0.00082  -0.00364  -0.44045
   D136      -2.62646  -0.00003  -0.00294  -0.00087  -0.00379  -2.63025
   D137      -0.06985  -0.00008  -0.00620  -0.00136  -0.00754  -0.07739
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   D139       0.32351  -0.00008  -0.00681  -0.00200  -0.00878   0.31473
   D140      -1.86615  -0.00008  -0.00690  -0.00205  -0.00892  -1.87508
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   D142      -2.45667   0.00002  -0.00078  -0.00085  -0.00160  -2.45827
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   D147      -2.36543   0.00001  -0.00007   0.00021   0.00015  -2.36529
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   D149       2.65986  -0.00002  -0.00114  -0.00033  -0.00146   2.65839
   D150       1.52581   0.00000   0.00216   0.00065   0.00281   1.52862
   D151       2.62314   0.00001   0.00186   0.00056   0.00242   2.62556
   D152       2.98750   0.00001   0.00207   0.00074   0.00279   2.99029
   D153       1.27437  -0.00002  -0.00095  -0.00029  -0.00123   1.27314
   D154       1.30582  -0.00001   0.00000  -0.00002  -0.00002   1.30580
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   D163       0.00456   0.00005   0.00275   0.00122   0.00394   0.00850
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   D165       1.69201   0.00001  -0.00212  -0.00028  -0.00239   1.68962
   D166      -1.63374  -0.00001  -0.00405  -0.00090  -0.00494  -1.63869
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   D168      -1.69896  -0.00001  -0.00465  -0.00131  -0.00596  -1.70492
   D169       1.26691  -0.00001  -0.00301  -0.00129  -0.00430   1.26261
   D170      -1.97747  -0.00001  -0.00415  -0.00170  -0.00585  -1.98332
   D171       0.98841  -0.00002  -0.00250  -0.00168  -0.00419   0.98422
   D172      -1.98711  -0.00001  -0.00399  -0.00077  -0.00475  -1.99186
   D173       0.97877  -0.00001  -0.00235  -0.00076  -0.00309   0.97568
   D174      -2.28775  -0.00002  -0.00429  -0.00096  -0.00524  -2.29299
   D175       0.67812  -0.00002  -0.00265  -0.00094  -0.00358   0.67454
   D176       1.97480   0.00001  -0.00194  -0.00031  -0.00225   1.97255
   D177      -1.34250   0.00001  -0.00029  -0.00030  -0.00059  -1.34309
   D178       0.82746   0.00000  -0.00214  -0.00032  -0.00246   0.82500
   D179      -2.48985   0.00000  -0.00049  -0.00030  -0.00080  -2.49065
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   D181      -2.95857  -0.00001  -0.00129  -0.00049  -0.00178  -2.96035
   D182      -3.07846   0.00000  -0.00423  -0.00088  -0.00511  -3.08357
   D183      -0.11259   0.00000  -0.00259  -0.00087  -0.00345  -0.11604
   D184       2.93876  -0.00001  -0.00399  -0.00093  -0.00491   2.93385
   D185      -0.37855  -0.00001  -0.00235  -0.00091  -0.00325  -0.38180
   D186       3.08231   0.00000  -0.00355  -0.00084  -0.00439   3.07792
   D187      -0.23500   0.00000  -0.00191  -0.00083  -0.00273  -0.23773
   D188       2.98124   0.00000  -0.00268  -0.00061  -0.00327   2.97796
   D189      -0.33607   0.00000  -0.00104  -0.00059  -0.00161  -0.33768
   D190       2.49565  -0.00001  -0.00424  -0.00095  -0.00520   2.49045
   D191      -0.82166  -0.00001  -0.00260  -0.00094  -0.00353  -0.82519
   D192       0.28355  -0.00001   0.00433   0.00029   0.00462   0.28817
   D193      -3.03376  -0.00001   0.00597   0.00031   0.00628  -3.02748
   D194       0.64572   0.00000   0.00146   0.00073   0.00218   0.64790
   D195      -2.67159   0.00000   0.00310   0.00075   0.00384  -2.66775
   D196       0.52209   0.00001  -0.00112   0.00265   0.00151   0.52359
   D197      -2.79522   0.00000   0.00053   0.00267   0.00317  -2.79205
   D198       1.11668   0.00004  -0.00059  -0.00011  -0.00066   1.11602
   D199      -2.20063   0.00004   0.00105  -0.00009   0.00100  -2.19963
   D200       1.46056   0.00006  -0.00333   0.00056  -0.00284   1.45772
   D201      -1.85675   0.00006  -0.00169   0.00058  -0.00118  -1.85793
   D202       1.64732   0.00000  -0.00024  -0.00088  -0.00112   1.64619
   D203      -0.57334   0.00000  -0.00018  -0.00056  -0.00074  -0.57409
   D204       1.68729   0.00001   0.00053  -0.00031   0.00021   1.68750
   D205      -0.53337   0.00001   0.00059   0.00000   0.00059  -0.53278
   D206       1.33421   0.00001   0.00111  -0.00020   0.00091   1.33511
   D207      -0.88645   0.00001   0.00117   0.00011   0.00129  -0.88516
   D208       1.17270   0.00000   0.00059  -0.00022   0.00037   1.17307
   D209      -1.04796   0.00000   0.00065   0.00009   0.00075  -1.04721
   D210       2.10476   0.00003   0.00107  -0.00003   0.00104   2.10580
   D211      -0.11590   0.00003   0.00113   0.00029   0.00142  -0.11448
   D212       2.21919   0.00004   0.00197   0.00051   0.00247   2.22166
   D213      -0.00147   0.00004   0.00203   0.00082   0.00285   0.00138
   D214      -2.23737   0.00001   0.00033  -0.00022   0.00011  -2.23726
   D215       1.82516   0.00001   0.00039   0.00010   0.00049   1.82565
   D216      -2.42285   0.00001   0.00118   0.00003   0.00120  -2.42164
   D217       1.63968   0.00001   0.00124   0.00034   0.00158   1.64126
   D218      -2.06985   0.00002   0.00235   0.00040   0.00275  -2.06710
   D219       1.99268   0.00002   0.00241   0.00071   0.00313   1.99581
   D220      -2.26950   0.00003   0.00232   0.00048   0.00280  -2.26670
   D221       1.79303   0.00003   0.00238   0.00080   0.00318   1.79620
   D222      -2.90183   0.00000   0.00125  -0.00001   0.00125  -2.90058
   D223       1.16069   0.00000   0.00132   0.00031   0.00163   1.16233
   D224       3.05299  -0.00002   0.00135   0.00000   0.00137   3.05436
   D225       0.83233  -0.00002   0.00142   0.00032   0.00175   0.83408
   D226      -2.71016   0.00000   0.00016  -0.00010   0.00006  -2.71010
   D227       1.35237   0.00000   0.00022   0.00022   0.00044   1.35281
   D228      -2.65427   0.00000  -0.00050  -0.00033  -0.00083  -2.65510
   D229       1.40826   0.00000  -0.00044  -0.00001  -0.00045   1.40781
   D230      -1.55635  -0.00001   0.00056  -0.00015   0.00040  -1.55595
   D231       2.50618  -0.00001   0.00062   0.00017   0.00078   2.50696
   D232       0.02723   0.00001  -0.00817  -0.00133  -0.00950   0.01772
   D233      -2.19343   0.00001  -0.00811  -0.00101  -0.00912  -2.20255
   D234      -0.14875  -0.00003  -0.00501  -0.00180  -0.00680  -0.15555
   D235      -2.36940  -0.00003  -0.00495  -0.00148  -0.00642  -2.37583
   D236       0.08917  -0.00003  -0.00177  -0.00174  -0.00352   0.08565
   D237      -2.13149  -0.00003  -0.00171  -0.00142  -0.00314  -2.13463
   D238       0.00323  -0.00001  -0.00680  -0.00286  -0.00964  -0.00641
   D239      -2.21743  -0.00001  -0.00674  -0.00254  -0.00926  -2.22669
   D240      -0.55541  -0.00005  -0.00324  -0.00183  -0.00507  -0.56048
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   D242      -0.75988  -0.00002  -0.00336  -0.00061  -0.00398  -0.76385
   D243      -2.98053  -0.00002  -0.00330  -0.00030  -0.00360  -2.98413
   D244      -2.89851   0.00001   0.00106  -0.00024   0.00081  -2.89770
   D245       0.01680   0.00002   0.00025  -0.00018   0.00007   0.01687
   D246      -3.11369   0.00001   0.00167  -0.00007   0.00160  -3.11209
   D247      -0.19838   0.00001   0.00086   0.00000   0.00086  -0.19752
   D248       2.76551   0.00000   0.00191  -0.00012   0.00179   2.76730
   D249      -0.60237   0.00001   0.00110  -0.00006   0.00105  -0.60132
   D250       2.52844  -0.00001   0.00169  -0.00017   0.00152   2.52996
   D251      -0.83944  -0.00001   0.00088  -0.00010   0.00077  -0.83866
   D252      -2.91121   0.00002   0.00236   0.00034   0.00270  -2.90850
   D253       0.00411   0.00002   0.00155   0.00041   0.00196   0.00606
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   D255      -0.16701   0.00002   0.00209   0.00079   0.00287  -0.16413
   D256      -0.66018   0.00001   0.00198   0.00019   0.00217  -0.65801
   D257       2.25513   0.00001   0.00117   0.00025   0.00143   2.25655
   D258      -0.92094   0.00001   0.00250   0.00036   0.00286  -0.91808
   D259       1.99437   0.00001   0.00169   0.00042   0.00212   1.99648
   D260      -0.77233   0.00001   0.00322   0.00060   0.00382  -0.76851
   D261       2.14298   0.00001   0.00241   0.00067   0.00308   2.14606
   D262      -0.99032   0.00001   0.00267   0.00050   0.00317  -0.98715
   D263       1.92499   0.00001   0.00186   0.00057   0.00243   1.92742
   D264      -1.32737   0.00001   0.00264   0.00035   0.00299  -1.32438
   D265       1.58794   0.00001   0.00183   0.00042   0.00225   1.59019
   D266      -1.57333  -0.00001   0.00301   0.00050   0.00353  -1.56980
   D267       1.34198   0.00000   0.00220   0.00057   0.00278   1.34476
   D268       1.97915   0.00000   0.00161   0.00025   0.00186   1.98101
   D269      -1.38872   0.00001   0.00080   0.00031   0.00111  -1.38761
   D270       0.86207   0.00000   0.00181   0.00024   0.00205   0.86412
   D271      -2.50580   0.00000   0.00100   0.00031   0.00131  -2.50449
   D272       1.18651   0.00001  -0.01510  -0.00244  -0.01754   1.16897
   D273      -2.18136   0.00001  -0.01591  -0.00238  -0.01829  -2.19965
   D274       1.21846  -0.00006  -0.00581  -0.00218  -0.00797   1.21049
   D275      -2.14941  -0.00006  -0.00662  -0.00212  -0.00872  -2.15813
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   D279      -1.75546  -0.00002  -0.00582  -0.00221  -0.00802  -1.76348
   D280       0.84982  -0.00004  -0.00116  -0.00172  -0.00287   0.84696
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   D287      -2.55917   0.00002   0.00347   0.00011   0.00358  -2.55560
   D288       1.30743   0.00001   0.00311  -0.00007   0.00304   1.31046
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   D300      -1.91654   0.00001   0.00325   0.00015   0.00341  -1.91313
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   D307      -0.72111   0.00000   0.00543   0.00093   0.00637  -0.71474
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   D309      -2.67124  -0.00001   0.00353   0.00030   0.00383  -2.66741
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   D319       2.25371  -0.00006  -0.00047  -0.00136  -0.00184   2.25187
   D320       0.32659  -0.00005  -0.00476  -0.00252  -0.00727   0.31932
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   D326      -0.03133  -0.00004   0.00733  -0.00238   0.00496  -0.02637
   D327       2.14667  -0.00003   0.00878  -0.00174   0.00705   2.15372
   D328       0.30341  -0.00003   0.00641  -0.00238   0.00402   0.30743
   D329       2.48141  -0.00002   0.00787  -0.00175   0.00611   2.48753
   D330       0.66142  -0.00002   0.00695  -0.00208   0.00486   0.66628
   D331       2.83943  -0.00001   0.00840  -0.00145   0.00695   2.84638
   D332       0.94512  -0.00001   0.00687  -0.00198   0.00489   0.95001
   D333       3.12312   0.00000   0.00833  -0.00134   0.00698   3.13010
   D334       0.30797  -0.00005   0.00451  -0.00309   0.00141   0.30938
   D335       2.48598  -0.00003   0.00597  -0.00245   0.00350   2.48948
   D336       0.66947  -0.00004   0.00683  -0.00289   0.00393   0.67340
   D337       2.84748  -0.00002   0.00829  -0.00225   0.00602   2.85350
   D338      -2.42956  -0.00003   0.00554  -0.00268   0.00286  -2.42670
   D339      -0.25156  -0.00002   0.00700  -0.00205   0.00495  -0.24661
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   D341       0.14948  -0.00001   0.00578  -0.00230   0.00347   0.15295
   D342      -1.97847  -0.00003   0.00555  -0.00292   0.00264  -1.97584
   D343       0.19953  -0.00002   0.00701  -0.00228   0.00473   0.20426
   D344      -1.68866  -0.00003   0.00706  -0.00267   0.00440  -1.68426
   D345       0.48935  -0.00002   0.00852  -0.00203   0.00649   0.49584
   D346      -1.63540  -0.00002   0.00194  -0.00323  -0.00129  -1.63670
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   D349       0.85740   0.00000   0.00304  -0.00273   0.00031   0.85770
   D350       1.71721  -0.00004   0.01041  -0.00207   0.00833   1.72554
   D351      -2.38797  -0.00002   0.01187  -0.00144   0.01042  -2.37755
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   D353      -1.99435  -0.00001   0.01439  -0.00090   0.01349  -1.98085
   D354       2.24940  -0.00003   0.02122  -0.00025   0.02098   2.27038
   D355      -1.85578  -0.00002   0.02268   0.00039   0.02307  -1.83271
   D356       2.87588  -0.00001   0.02076  -0.00024   0.02053   2.89641
   D357      -1.22930   0.00000   0.02221   0.00040   0.02262  -1.20668
   D358       2.47393  -0.00003   0.00958  -0.00208   0.00750   2.48143
   D359      -1.63125  -0.00001   0.01103  -0.00144   0.00959  -1.62167
   D360       1.62522   0.00002   0.00088  -0.00151  -0.00064   1.62458
   D361      -2.47996   0.00004   0.00233  -0.00087   0.00145  -2.47851
   D362       1.74160  -0.00002   0.00905  -0.00051   0.00852   1.75012
   D363      -2.36358   0.00000   0.01051   0.00013   0.01061  -2.35297
   D364       2.74296   0.00002   0.00131  -0.00143  -0.00010   2.74286
   D365      -1.36222   0.00003   0.00277  -0.00079   0.00199  -1.36023
   D366       2.71317  -0.00006   0.00608  -0.00405   0.00210   2.71527
   D367      -1.39201  -0.00005   0.00753  -0.00341   0.00419  -1.38782
   D368       0.03421  -0.00002  -0.00200  -0.00198  -0.00399   0.03023
   D369      -2.80611  -0.00002   0.01834   0.00409   0.02244  -2.78367
   D370       0.42526   0.00000  -0.00167  -0.00143  -0.00312   0.42214
   D371      -2.41506   0.00001   0.01867   0.00464   0.02330  -2.39176
   D372       0.59711   0.00002  -0.00014  -0.00098  -0.00114   0.59597
   D373      -2.24320   0.00003   0.02021   0.00509   0.02528  -2.21792
   D374       0.87898   0.00003  -0.00080  -0.00102  -0.00184   0.87714
   D375      -1.96134   0.00004   0.01954   0.00505   0.02459  -1.93676
   D376       0.70993  -0.00001  -0.00273  -0.00170  -0.00444   0.70549
   D377      -2.13039   0.00000   0.01762   0.00438   0.02199  -2.10840
   D378       1.03508   0.00000  -0.00197  -0.00139  -0.00337   1.03171
   D379      -1.80524   0.00001   0.01838   0.00469   0.02306  -1.78218
   D380      -2.86292   0.00005   0.00042  -0.00117  -0.00078  -2.86369
   D381       0.57995   0.00006   0.02076   0.00490   0.02565   0.60560
   D382      -2.30044   0.00004  -0.00091  -0.00217  -0.00311  -2.30355
   D383       1.14242   0.00005   0.01944   0.00390   0.02332   1.16574
   D384      -1.99394   0.00000  -0.00331  -0.00248  -0.00580  -1.99974
   D385       1.44893   0.00001   0.01703   0.00360   0.02063   1.46955
   D386      -1.63783  -0.00001  -0.00376  -0.00258  -0.00635  -1.64418
   D387       1.80503   0.00000   0.01659   0.00349   0.02008   1.82511
   D388      -1.76458  -0.00001  -0.00478  -0.00492  -0.00967  -1.77425
   D389       1.67829   0.00000   0.01557   0.00116   0.01675   1.69504
   D390      -1.01373  -0.00010  -0.01232  -0.00624  -0.01851  -1.03225
   D391       2.42913  -0.00010   0.00803  -0.00017   0.00791   2.43705
   D392       1.77741  -0.00002  -0.00267  -0.00203  -0.00471   1.77270
   D393      -1.06291  -0.00001   0.01768   0.00405   0.02172  -1.04119
   D394       2.07325   0.00000  -0.00216  -0.00155  -0.00372   2.06953
   D395      -0.76707   0.00001   0.01818   0.00452   0.02271  -0.74436
   D396       2.01186   0.00002  -0.00101  -0.00084  -0.00184   2.01002
   D397      -0.82846   0.00003   0.01934   0.00523   0.02459  -0.80387
   D398       2.19537   0.00004  -0.00025  -0.00043  -0.00067   2.19470
   D399      -0.64495   0.00005   0.02010   0.00564   0.02576  -0.61919
   D400       2.48022  -0.00001  -0.00255  -0.00179  -0.00435   2.47587
   D401      -0.36010   0.00000   0.01780   0.00428   0.02208  -0.33803
   D402      -1.44865   0.00004  -0.01118  -0.00147  -0.01265  -1.46131
   D403       1.99421   0.00005   0.00917   0.00461   0.01378   2.00799
   D404      -2.55628  -0.00010  -0.00816  -0.00203  -0.01023  -2.56652
   D405       0.88658  -0.00010   0.01219   0.00404   0.01619   0.90277
   D406      -2.92701  -0.00014  -0.00426  -0.00403  -0.00822  -2.93523
   D407       0.51585  -0.00013   0.01609   0.00205   0.01821   0.53406
   D408       1.79923  -0.00001   0.00278   0.00241   0.00524   1.80447
   D409       2.28758   0.00004   0.00398   0.00325   0.00729   2.29486
   D410       2.50300   0.00003   0.00406   0.00379   0.00789   2.51089
   D411       2.74766   0.00004   0.00334   0.00395   0.00733   2.75499
   D412       2.71133   0.00009   0.00675   0.00386   0.01072   2.72205
   D413      -3.09829   0.00010   0.00771   0.00504   0.01282  -3.08546
   D414      -0.86775   0.00001   0.00181   0.00306   0.00489  -0.86286
   D415      -0.49004   0.00001   0.00150   0.00297   0.00449  -0.48554
   D416      -0.17458   0.00002   0.00184   0.00301   0.00488  -0.16969
   D417       0.13384   0.00003   0.00166   0.00296   0.00464   0.13848
   D418      -0.36082   0.00000   0.00084   0.00284   0.00368  -0.35714
   D419      -0.04384  -0.00001  -0.00029   0.00240   0.00212  -0.04172
   D420      -2.66413   0.00001   0.00260   0.00321   0.00583  -2.65830
   D421      -2.28529   0.00003   0.00266   0.00337   0.00605  -2.27924
   D422      -2.05131   0.00004   0.00365   0.00400   0.00766  -2.04366
   D423      -1.73581   0.00004   0.00337   0.00394   0.00732  -1.72849
   D424      -2.05973   0.00001   0.00160   0.00265   0.00426  -2.05546
   D425       1.34622   0.00005  -0.00601   0.00336  -0.00261   1.34360
   D426       2.49156  -0.00009  -0.00376   0.00275  -0.00101   2.49055
   D427       2.92508  -0.00009   0.00199   0.00357   0.00552   2.93060
   D428      -3.08338   0.00004   0.00232   0.00119   0.00352  -3.07986
   D429       0.02534  -0.00001   0.00308  -0.00126   0.00183   0.02717
   D430       0.03778  -0.00011   0.00295   0.00003   0.00297   0.04076
   D431      -3.13668  -0.00016   0.00371  -0.00243   0.00128  -3.13540
   D432      -0.00476  -0.00003  -0.00160  -0.00278  -0.00437  -0.00913
   D433       2.08944  -0.00004  -0.00193  -0.00273  -0.00466   2.08478
   D434      -2.10920  -0.00002  -0.00213  -0.00244  -0.00456  -2.11376
   D435      -3.11504   0.00001  -0.00233  -0.00044  -0.00277  -3.11781
   D436      -1.02084   0.00000  -0.00266  -0.00039  -0.00306  -1.02390
   D437       1.06371   0.00002  -0.00286  -0.00011  -0.00296   1.06074
   D438      -2.37354   0.00004   0.00176   0.00286   0.00463  -2.36892
   D439      -0.28186   0.00000   0.00203   0.00278   0.00481  -0.27705
   D440       1.82495   0.00003   0.00197   0.00281   0.00478   1.82973
   D441       0.73673   0.00000   0.00249   0.00052   0.00301   0.73974
   D442       2.82842  -0.00004   0.00275   0.00044   0.00319   2.83161
   D443      -1.34795  -0.00001   0.00269   0.00047   0.00316  -1.34479
   D444      -0.01195   0.00001  -0.00016   0.00007  -0.00009  -0.01204
   D445       3.12070   0.00000   0.00027  -0.00010   0.00017   3.12087
   D446      -3.13247   0.00001  -0.00011   0.00004  -0.00007  -3.13254
   D447       0.00019   0.00000   0.00032  -0.00013   0.00018   0.00037
   D448       2.45240   0.00000   0.00443   0.00117   0.00559   2.45799
   D449      -1.74493  -0.00001   0.00454   0.00118   0.00572  -1.73922
   D450       0.36286   0.00000   0.00479   0.00136   0.00615   0.36901
   D451      -0.68069   0.00000   0.00402   0.00133   0.00535  -0.67534
   D452       1.40517   0.00000   0.00413   0.00134   0.00547   1.41064
   D453      -2.77023   0.00000   0.00439   0.00152   0.00591  -2.76432
   D454       2.07223  -0.00001  -0.00195  -0.00086  -0.00282   2.06941
   D455      -2.12556   0.00002  -0.00191  -0.00080  -0.00272  -2.12828
   D456      -0.03192   0.00000  -0.00202  -0.00089  -0.00291  -0.03483
   D457      -1.07788  -0.00002  -0.00155  -0.00103  -0.00257  -1.08046
   D458       1.00751   0.00001  -0.00151  -0.00096  -0.00247   1.00504
   D459       3.10115  -0.00001  -0.00162  -0.00105  -0.00267   3.09848
   D460      -3.06643  -0.00005  -0.00031  -0.00066  -0.00096  -3.06739
   D461      -0.02912  -0.00002   0.00115   0.00069   0.00183  -0.02729
   D462       0.08765   0.00002  -0.00011  -0.00049  -0.00060   0.08705
   D463       3.12496   0.00005   0.00134   0.00086   0.00220   3.12716
   D464       1.91417   0.00000   0.00217   0.00144   0.00361   1.91779
   D465      -2.28664   0.00003   0.00217   0.00159   0.00376  -2.28288
   D466      -0.19367   0.00001   0.00232   0.00155   0.00387  -0.18980
   D467      -1.12715  -0.00003   0.00083   0.00017   0.00100  -1.12615
   D468       0.95521   0.00000   0.00083   0.00033   0.00116   0.95637
   D469       3.04818  -0.00001   0.00098   0.00028   0.00127   3.04945
   D470      -1.59585  -0.00003   0.00556   0.00001   0.00557  -1.59028
   D471       0.50934  -0.00004   0.00528  -0.00024   0.00504   0.51438
   D472       2.59822  -0.00002   0.00502  -0.00016   0.00486   2.60308
   D473       1.44590   0.00000   0.00693   0.00129   0.00823   1.45412
   D474      -2.73209  -0.00001   0.00665   0.00104   0.00769  -2.72440
   D475      -0.64321   0.00001   0.00640   0.00112   0.00752  -0.63570
   D476       0.01415   0.00002   0.00066   0.00007   0.00072   0.01488
   D477      -3.10232   0.00009   0.00023   0.00116   0.00138  -3.10094
   D478       3.13330  -0.00005   0.00126   0.00090   0.00219   3.13549
   D479       0.01683   0.00003   0.00084   0.00199   0.00284   0.01967
   D480      -0.17413  -0.00001  -0.02198  -0.00476  -0.02673  -0.20086
   D481       1.93220  -0.00010  -0.02139  -0.00442  -0.02583   1.90638
   D482      -2.27542   0.00001  -0.01985  -0.00348  -0.02334  -2.29876
   D483       2.94345  -0.00008  -0.02157  -0.00578  -0.02734   2.91611
   D484      -1.23340  -0.00017  -0.02098  -0.00544  -0.02643  -1.25984
   D485       0.84216  -0.00005  -0.01943  -0.00450  -0.02395   0.81821
   D486       0.00028  -0.00005  -0.00573   0.00667   0.00093   0.00121
   D487       2.09178   0.00002  -0.00635   0.00691   0.00067   2.09244
   D488      -2.10447  -0.00005  -0.00545   0.00629   0.00090  -2.10358
   D489      -3.11754   0.00002  -0.00615   0.00772   0.00157  -3.11597
   D490      -1.02605   0.00009  -0.00676   0.00797   0.00131  -1.02473
   D491       1.06089   0.00002  -0.00586   0.00734   0.00154   1.06243
         Item               Value     Threshold  Converged?
 Maximum Force            0.000219     0.000450     YES
 RMS     Force            0.000036     0.000300     YES
 Maximum Displacement     0.066894     0.001800     NO 
 RMS     Displacement     0.005847     0.001200     NO 
 Predicted change in Energy=-1.795760D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 00:57:56 2016, MaxMem=  2952790016 cpu:         7.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.873598   -0.621676    1.693892
      2          6           0       -2.149084    1.002023   -1.432810
      3          8           0       -2.599504    0.020256   -2.047397
      4          7           0       -0.889519    1.111451   -0.927843
      5          1           0       -2.769149    1.896026   -1.220076
      6          6           0       -0.473113    2.279376   -0.150766
      7          1           0       -1.308802    2.988566   -0.075572
      8          1           0       -0.171718    1.962241    0.860749
      9          1           0        0.385910    2.773184   -0.633911
     10          6           0        0.102606    0.048097   -1.098586
     11          1           0        0.625569   -0.118876   -0.144320
     12          1           0       -0.404196   -0.876247   -1.405159
     13          1           0        0.845956    0.333139   -1.861585
     14          6           0       -1.965774   -4.057596    2.617727
     15          8           0       -2.130391   -3.907868    3.840650
     16          7           0       -2.880649   -3.759763    1.655896
     17          1           0       -1.016350   -4.441255    2.194808
     18          6           0       -4.202992   -3.226499    1.993490
     19          1           0       -4.474634   -2.457586    1.253267
     20          1           0       -4.963060   -4.025221    1.971735
     21          1           0       -4.171282   -2.777984    2.995245
     22          6           0       -2.590819   -3.945230    0.233845
     23          1           0       -3.290610   -4.675383   -0.204804
     24          1           0       -2.705454   -2.985860   -0.297510
     25          1           0       -1.560089   -4.305858    0.110454
     26          6           0        1.533678    0.359813    2.620948
     27          8           0        1.380215    1.374097    3.322133
     28          7           0        1.138249   -0.897989    2.956840
     29          1           0        2.011829    0.401804    1.622384
     30          6           0        1.443262   -2.048853    2.106311
     31          1           0        2.193047   -2.697179    2.590364
     32          1           0        0.529646   -2.641189    1.939879
     33          1           0        1.828969   -1.699030    1.138978
     34          6           0        0.499351   -1.171050    4.247348
     35          1           0        1.251433   -1.442091    5.007840
     36          1           0       -0.046788   -0.277990    4.577821
     37          1           0       -0.202406   -2.008753    4.125969
     38          6           0       -4.505248    1.407275    2.866021
     39          8           0       -4.688109    2.078007    1.836401
     40          7           0       -3.426102    1.493350    3.691012
     41          1           0       -5.228399    0.635866    3.199960
     42          6           0       -2.333718    2.437755    3.447258
     43          1           0       -2.440705    2.863314    2.442143
     44          1           0       -2.354199    3.244251    4.199326
     45          1           0       -1.369765    1.911025    3.528169
     46          6           0       -3.286688    0.617954    4.854479
     47          1           0       -4.151614   -0.057592    4.914151
     48          1           0       -2.366357    0.018144    4.761605
     49          1           0       -3.224064    1.217734    5.777138
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.533915   0.000000
     3  O    3.864746   1.242764   0.000000
     4  N    3.293271   1.361421   2.316928   0.000000
     5  H    3.953738   1.108592   2.057122   2.057660   0.000000
     6  C    3.712172   2.466605   3.636258   1.463316   2.561672
     7  H    4.060030   2.548435   3.790101   2.103741   2.153171
     8  H    3.204239   3.176854   4.257083   2.106690   3.328793
     9  H    4.695648   3.193970   4.299913   2.115295   3.326770
    10  C    3.485959   2.468154   2.863986   1.464304   3.417100
    11  H    3.142876   3.258116   3.747286   2.103117   4.091600
    12  H    3.439196   2.563844   2.456738   2.101026   3.648665
    13  H    4.577015   3.098632   3.464624   2.118848   3.990381
    14  C    3.559145   6.483842   6.228473   6.359909   7.128798
    15  O    3.933646   7.205328   7.093611   7.033622   7.726845
    16  N    3.295935   5.722753   5.299242   5.862510   6.345990
    17  H    3.946515   6.638673   6.356710   6.371780   7.409107
    18  C    3.507269   5.817084   5.425989   6.191211   6.214754
    19  H    3.214048   4.959041   4.533232   5.508930   5.289616
    20  H    4.605008   6.691979   6.172982   7.168451   7.075455
    21  H    3.409184   6.163230   5.977363   6.425596   6.448354
    22  C    3.700291   5.239101   4.574846   5.460216   6.022122
    23  H    4.695266   5.919800   5.091346   6.306780   6.669791
    24  H    3.201099   4.183499   3.479951   4.525802   4.968701
    25  H    4.022283   5.558973   4.944893   5.556523   6.457205
    26  C    3.665008   5.514356   6.244352   4.362426   5.968898
    27  O    4.149888   5.933284   6.819303   4.825243   6.174244
    28  N    3.277592   5.803933   6.313190   4.820836   6.365604
    29  H    4.018603   5.196891   5.905698   3.927478   5.759343
    30  C    3.634348   5.893910   6.154548   4.963414   6.661181
    31  H    4.652846   6.980267   7.201516   6.032053   7.761467
    32  H    3.148734   5.641243   5.724791   4.931548   6.438453
    33  H    3.895847   5.452952   5.720166   4.422752   6.295415
    34  C    3.528857   6.633299   7.116595   5.824206   7.069849
    35  H    4.628299   7.682394   8.169734   6.807099   8.129886
    36  H    3.431093   6.495057   7.106252   5.740477   6.764111
    37  H    3.260653   6.614707   6.926283   5.979031   7.100398
    38  C    3.523650   4.918912   5.449529   5.249230   4.466443
    39  O    3.902572   4.276930   4.866261   4.796307   3.613527
    40  N    3.297285   5.303370   5.981857   5.283363   4.971169
    41  H    3.886430   5.574837   5.901255   6.007563   5.212737
    42  C    3.556137   5.090233   6.008841   4.794403   4.718800
    43  H    3.609244   4.308678   5.316405   4.102683   3.802022
    44  H    4.631799   6.065527   7.033909   5.742995   5.599983
    45  H    3.167490   5.103424   6.014500   4.552582   4.950185
    46  C    3.677337   6.400910   6.961706   6.278949   6.229087
    47  H    3.984672   6.739201   7.132899   6.792409   6.584571
    48  H    3.172230   6.275827   6.812993   5.978812   6.282451
    49  H    4.677615   7.292836   7.940237   7.100575   7.044716
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098627   0.000000
     8  H    1.102078   1.795272   0.000000
     9  H    1.102360   1.797271   1.789576   0.000000
    10  C    2.491670   3.418331   2.752851   2.778899   0.000000
    11  H    2.637945   3.660971   2.444764   2.942982   1.100906
    12  H    3.396499   4.186035   3.639422   3.812799   1.097837
    13  H    2.907694   3.857994   3.331776   2.769954   1.102718
    14  C    7.074588   7.571914   6.522580   7.922318   5.911505
    15  O    7.547182   7.973243   6.868361   8.425551   6.710587
    16  N    6.747700   7.142033   6.380587   7.654607   5.566577
    17  H    7.138887   7.774471   6.595292   7.875031   5.679154
    18  C    6.987452   7.161312   6.667630   7.997340   6.230737
    19  H    6.357852   6.438081   6.180940   7.385613   5.723704
    20  H    8.025745   8.169350   7.748610   9.034334   7.188864
    21  H    7.010758   7.132798   6.559140   8.047002   6.558376
    22  C    6.586222   7.058104   6.414301   7.399392   4.997656
    23  H    7.503991   7.917095   7.410867   8.317577   5.884219
    24  H    5.720803   6.139516   5.678475   6.544943   4.210916
    25  H    6.679450   7.301121   6.463712   7.379283   4.814899
    26  C    3.923561   4.718184   2.928217   4.211393   3.997507
    27  O    4.039230   4.624037   2.968639   4.312350   4.788874
    28  N    4.727510   5.503535   3.780282   5.190088   4.291168
    29  H    3.583891   4.538831   2.789790   3.654849   3.342742
    30  C    5.244088   6.140852   4.499829   5.646135   4.057823
    31  H    6.276010   7.190123   5.503987   6.602012   5.051222
    32  H    5.439511   6.255883   4.779958   5.996706   4.080060
    33  H    4.773965   5.770121   4.181515   5.022574   3.322571
    34  C    5.674022   6.265737   4.662285   6.276666   5.497521
    35  H    6.590493   7.212948   5.550964   7.095564   6.389750
    36  H    5.392718   5.823842   4.341758   6.054670   5.687728
    37  H    6.062325   6.621953   5.141147   6.772701   5.623134
    38  C    5.110742   4.622848   4.807140   6.167549   6.228787
    39  O    4.664287   3.988042   4.622022   5.686069   5.973745
    40  N    4.908894   4.572285   4.338348   5.905452   6.122155
    41  H    6.044934   5.623837   5.727233   7.126511   6.873323
    42  C    4.053728   3.710011   3.404466   4.915773   5.684262
    43  H    3.306899   2.763293   2.908788   4.178515   5.189474
    44  H    4.836607   4.408286   4.189615   5.575866   6.657264
    45  H    3.804502   3.761883   2.924564   4.598763   5.200504
    46  C    5.977374   5.816979   5.240231   6.946611   6.873938
    47  H    6.681779   6.500615   6.029044   7.706063   7.366312
    48  H    5.729654   5.774090   4.879819   6.654082   6.359128
    49  H    6.620789   6.407674   5.834551   7.520164   7.727247
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795478   0.000000
    13  H    1.789382   1.798282   0.000000
    14  C    5.464200   5.361262   6.873763   0.000000
    15  O    6.150753   6.299920   7.704561   1.243003   0.000000
    16  N    5.365669   4.880322   6.558361   1.360448   2.314729
    17  H    5.181735   5.103311   6.535851   1.107909   2.057762
    18  C    6.127197   5.612963   7.281792   2.466888   2.858660
    19  H    5.782290   5.112370   6.767505   3.273555   3.780654
    20  H    7.139328   6.488659   8.211840   3.066281   3.395678
    21  H    6.319613   6.096810   7.644643   2.577633   2.481247
    22  C    5.012898   4.109296   5.874240   2.467023   3.636266
    23  H    6.008484   4.919927   6.703835   3.178606   4.277954
    24  H    4.397587   3.312573   5.106329   3.192860   4.278453
    25  H    4.729992   3.923698   5.585542   2.551986   3.794470
    26  C    2.949663   4.636026   4.535060   5.635573   5.755534
    27  O    3.848994   5.531316   5.314128   6.418342   6.363361
    28  N    3.238372   4.626732   4.981800   4.442192   4.530396
    29  H    2.305226   4.078800   3.674509   6.057911   6.375889
    30  C    3.075512   4.137454   4.666353   3.989752   4.385757
    31  H    4.072240   5.101536   5.551336   4.375760   4.660590
    32  H    3.273400   3.895685   4.837128   2.948357   3.506166
    33  H    2.364723   3.483767   3.754917   4.706337   5.277738
    34  C    4.517715   5.731854   6.300935   4.130939   3.817213
    35  H    5.356058   6.647394   7.106677   4.785805   4.345011
    36  H    4.772420   6.023430   6.529657   4.670107   4.249804
    37  H    4.742630   5.649483   6.514163   3.095483   2.721244
    38  C    6.141382   6.346344   7.220763   6.031201   5.902592
    39  O    6.081507   6.130843   6.880810   6.757751   6.810994
    40  N    5.807330   6.381055   7.101261   5.839307   5.556475
    41  H    6.784009   6.838606   7.912564   5.745633   5.536574
    42  C    5.309724   6.184789   6.536325   6.558436   6.361055
    43  H    4.998528   5.738764   5.977123   6.939408   6.921056
    44  H    6.249552   7.224352   7.446490   7.481263   7.164603
    45  H    4.646400   5.747951   6.037267   6.067007   5.876709
    46  C    6.390356   7.051557   7.890841   5.348704   4.779951
    47  H    6.957971   7.392362   8.428462   5.104065   4.479103
    48  H    5.747912   6.532916   7.367823   4.622590   4.039481
    49  H    7.188175   7.995111   8.700440   6.276486   5.587298
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056810   0.000000
    18  C    1.465241   3.416262   0.000000
    19  H    2.097275   4.096483   1.101339   0.000000
    20  H    2.122889   3.974842   1.102785   1.792271   0.000000
    21  H    2.103207   3.655238   1.098036   1.796987   1.797244
    22  C    1.463089   2.563273   2.492393   2.607885   2.941800
    23  H    2.113915   3.314395   2.786432   2.906288   2.820837
    24  H    2.108416   3.344084   2.747582   2.411220   3.365492
    25  H    2.104873   2.158360   3.419909   3.635478   3.888874
    26  C    6.114615   5.452934   6.794462   6.775552   7.864961
    27  O    6.876614   6.390047   7.355472   7.296660   8.438800
    28  N    5.102327   4.216363   5.905832   6.069510   6.926470
    29  H    6.423091   5.740449   7.205991   7.098350   8.268596
    30  C    4.671862   3.432362   5.768861   5.993016   6.705603
    31  H    5.267324   3.674030   6.445599   6.804646   7.304538
    32  H    3.600273   2.386489   4.768996   5.054499   5.664484
    33  H    5.166655   4.090282   6.280756   6.350108   7.227469
    34  C    4.984120   4.147832   5.605067   5.946446   6.569829
    35  H    5.803553   4.695846   6.482373   6.922130   7.383117
    36  H    5.356413   4.894035   5.713712   5.950556   6.708440
    37  H    4.042311   3.210756   4.694151   5.167765   5.600955
    38  C    5.549955   6.843116   4.724884   4.187966   5.524613
    39  O    6.113841   7.490731   5.328959   4.577906   6.110917
    40  N    5.659895   6.577619   5.075639   4.759403   5.981036
    41  H    5.217050   6.672994   4.174314   3.731919   4.827492
    42  C    6.474359   7.115115   6.139332   5.775939   7.131666
    43  H    6.684076   7.446253   6.355530   5.819129   7.350882
    44  H    7.470100   8.054498   7.081974   6.759175   8.038255
    45  H    6.160033   6.500324   6.064369   5.822384   7.111489
    46  C    5.436929   6.150112   4.879005   4.882508   5.716600
    47  H    5.092901   6.036655   4.309857   4.389348   5.005830
    48  H    4.917571   5.319512   4.643641   4.783567   5.556532
    49  H    6.471324   7.052038   5.918235   5.961318   6.707741
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389049   0.000000
    23  H    3.823090   1.102382   0.000000
    24  H    3.610277   1.102665   1.790389   0.000000
    25  H    4.180281   1.098946   1.797399   1.794628   0.000000
    26  C    6.521690   6.422081   7.524084   6.138498   6.135345
    27  O    6.940155   7.321329   8.417369   6.985966   7.156965
    28  N    5.632670   5.532298   6.624160   5.451976   5.195816
    29  H    7.087078   6.481444   7.565204   6.116782   6.099722
    30  C    5.731051   4.834892   5.886379   4.885507   4.254131
    31  H    6.377707   5.476878   6.465041   5.693721   4.777429
    32  H    4.819879   3.787925   4.830318   3.948491   3.238041
    33  H    6.372824   5.039762   6.072439   4.927516   4.397627
    34  C    5.095568   5.775243   6.816584   5.849790   5.584103
    35  H    5.936412   6.619640   7.632561   6.796095   6.331683
    36  H    5.076020   6.228232   7.261746   6.178181   6.202513
    37  H    4.197884   4.960150   5.950085   5.175630   4.821240
    38  C    4.200550   6.264399   6.921275   5.704982   6.993354
    39  O    5.019032   6.576184   7.192204   5.841853   7.315541
    40  N    4.391319   6.498296   7.297192   6.040775   7.066344
    41  H    3.579634   6.061444   6.599758   5.631558   6.886376
    42  C    5.548413   7.150847   8.052945   6.601293   7.563668
    43  H    5.926640   7.159286   8.034962   6.464412   7.590078
    44  H    6.404601   8.213992   9.110095   7.691502   8.622855
    45  H    5.488107   6.829295   7.810603   6.356050   7.096945
    46  C    3.971354   6.531243   7.322279   6.314134   7.052009
    47  H    3.329132   6.281327   6.947591   6.150410   6.916593
    48  H    3.767774   6.021572   6.895554   5.893528   6.401583
    49  H    4.960032   7.601663   8.397434   7.405438   8.086420
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242572   0.000000
    28  N    1.360608   2.313950   0.000000
    29  H    1.107935   2.057532   2.057518   0.000000
    30  C    2.464690   3.633013   1.463189   2.561869   0.000000
    31  H    3.127443   4.215622   2.117542   3.251695   1.103092
    32  H    3.236965   4.330890   2.107926   3.399629   1.101479
    33  H    2.553873   3.796269   2.103184   2.163475   1.098580
    34  C    2.461413   2.847756   1.465661   3.413488   2.499110
    35  H    3.003960   3.284678   2.124961   3.929309   2.970494
    36  H    2.594999   2.518428   2.101497   3.665328   3.385937
    37  H    3.299876   3.820277   2.097144   4.120869   2.605542
    38  C    6.133994   5.903204   6.096848   6.710433   6.921471
    39  O    6.502180   6.287086   6.637649   6.909750   7.395779
    40  N    5.198978   4.821926   5.204884   5.919611   6.226491
    41  H    6.792433   6.650841   6.553321   7.413800   7.274259
    42  C    4.467369   3.865271   4.839654   5.134106   6.016092
    43  H    4.700555   4.194232   5.217397   5.153261   6.271154
    44  H    5.091842   4.267645   5.558698   5.812258   6.842395
    45  H    3.414571   2.809472   3.808820   4.164727   5.061170
    46  C    5.318950   4.969891   5.047690   6.210269   6.085779
    47  H    6.144555   5.931727   5.702629   7.002486   6.568997
    48  H    4.461998   4.236447   4.047065   5.400965   5.082938
    49  H    5.773532   5.220237   5.608933   6.733669   6.777130
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.786944   0.000000
    33  H    1.798715   1.793696   0.000000
    34  C    2.818381   2.736172   3.421785   0.000000
    35  H    2.882026   3.372120   3.920161   1.103376   0.000000
    36  H    3.849587   3.588275   4.166949   1.097741   1.795947
    37  H    2.927492   2.390578   3.625538   1.099519   1.792331
    38  C    7.860642   6.526711   7.263203   5.796709   6.770942
    39  O    8.409588   7.036084   7.564702   6.578661   7.597847
    40  N    7.095548   5.984047   6.657323   4.776790   5.677164
    41  H    8.158349   6.744032   7.714002   6.096645   7.040920
    42  C    6.898798   6.022185   6.306275   4.657241   5.508351
    43  H    7.239662   6.274934   6.383051   5.308369   6.225046
    44  H    7.652894   6.932536   7.162448   5.257369   5.967921
    45  H    5.899886   5.181995   5.382623   3.675595   4.505940
    46  C    6.792924   5.803559   6.733744   4.231221   4.986165
    47  H    7.254111   6.118452   7.260415   4.828653   5.578398
    48  H    5.733710   4.839527   5.802833   3.144983   3.909133
    49  H    7.404536   6.611064   7.453400   4.680850   5.262752
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795530   0.000000
    38  C    5.064410   5.636591   0.000000
    39  O    5.882854   6.485774   1.242352   0.000000
    40  N    3.917122   4.779762   1.361093   2.318204   0.000000
    41  H    5.439001   5.754312   1.108843   2.056934   2.055404
    42  C    3.726056   4.977406   2.472907   2.875315   1.464451
    43  H    4.489961   5.619812   2.561652   2.456513   2.099400
    44  H    4.227716   5.677116   3.127171   3.520039   2.114950
    45  H    2.764746   4.133370   3.243989   3.728455   2.104636
    46  C    3.372863   4.116200   2.462089   3.633804   1.462672
    47  H    4.124475   4.474874   2.542779   3.784330   2.104248
    48  H    2.345607   3.032330   3.177701   4.265020   2.108427
    49  H    3.710880   4.718791   3.186214   4.291026   2.113931
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418645   0.000000
    43  H    3.647882   1.096723   0.000000
    44  H    4.007921   1.102934   1.800080   0.000000
    45  H    4.077108   1.101452   1.798116   1.788030   0.000000
    46  C    2.551077   2.489999   3.402454   2.862900   2.665656
    47  H    2.139813   3.418081   4.191625   3.826728   3.679006
    48  H    3.318374   2.753741   3.671570   3.274763   2.469323
    49  H    3.316290   2.776599   3.800496   2.711627   2.996153
                   46         47         48         49
    46  C    0.000000
    47  H    1.099100   0.000000
    48  H    1.102455   1.793363   0.000000
    49  H    1.102251   1.797653   1.790526   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2137571      0.1894361      0.1858886
 Leave Link  202 at Mon Nov 14 00:57:56 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1846.7256564092 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1838805726 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.5417758366 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4051
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.43D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     227
 GePol: Fraction of low-weight points (<1% of avg)   =       5.60%
 GePol: Cavity surface area                          =    466.571 Ang**2
 GePol: Cavity volume                                =    458.170 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039832856 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.5377925510 Hartrees.
 Leave Link  301 at Mon Nov 14 00:57:56 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37496.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 00:57:58 2016, MaxMem=  2952790016 cpu:        14.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 00:57:58 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000160    0.005258   -0.001232
         Rot=    1.000000   -0.000243   -0.000046   -0.000265 Ang=  -0.04 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50906849699    
 Leave Link  401 at Mon Nov 14 00:58:05 2016, MaxMem=  2952790016 cpu:        81.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49231803.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   3526.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.04D-14 for   3790   2149.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.55D-15 for   3526.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.00D-08 for   2305   2226.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.13D-14 for     15.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.02D-14 for   1882    701.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.22D-15 for    446.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.01D-15 for   1852    693.
 E= -1013.45071932288    
 DIIS: error= 4.14D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45071932288     IErMin= 1 ErrMin= 4.14D-04
 ErrMax= 4.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-04 BMatP= 1.87D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.14D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=7.64D-05 MaxDP=3.11D-03              OVMax= 3.96D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.64D-05    CP:  1.00D+00
 E= -1013.45104014194     Delta-E=       -0.000320819061 Rises=F Damp=F
 DIIS: error= 4.64D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45104014194     IErMin= 2 ErrMin= 4.64D-05
 ErrMax= 4.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-06 BMatP= 1.87D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.164D-01 0.984D+00
 Coeff:      0.164D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.18D-05 MaxDP=7.16D-04 DE=-3.21D-04 OVMax= 1.01D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.16D-05    CP:  1.00D+00  9.80D-01
 E= -1013.45103417049     Delta-E=        0.000005971451 Rises=F Damp=F
 DIIS: error= 1.22D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45104014194     IErMin= 2 ErrMin= 4.64D-05
 ErrMax= 1.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.79D-06 BMatP= 2.27D-06
 IDIUse=3 WtCom= 4.75D-01 WtEn= 5.25D-01
 Coeff-Com:  0.233D-02 0.688D+00 0.310D+00
 Coeff-En:   0.000D+00 0.765D+00 0.235D+00
 Coeff:      0.111D-02 0.728D+00 0.271D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.77D-06 MaxDP=5.48D-04 DE= 5.97D-06 OVMax= 8.36D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.87D-06    CP:  1.00D+00  9.83D-01  4.25D-01
 E= -1013.45104198215     Delta-E=       -0.000007811651 Rises=F Damp=F
 DIIS: error= 2.37D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45104198215     IErMin= 4 ErrMin= 2.37D-05
 ErrMax= 2.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-07 BMatP= 2.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.189D-05 0.282D+00 0.134D+00 0.585D+00
 Coeff:      0.189D-05 0.282D+00 0.134D+00 0.585D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.79D-06 MaxDP=8.92D-05 DE=-7.81D-06 OVMax= 1.42D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.16D-06    CP:  1.00D+00  9.86D-01  3.95D-01  6.67D-01
 E= -1013.45104210417     Delta-E=       -0.000000122022 Rises=F Damp=F
 DIIS: error= 1.75D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45104210417     IErMin= 5 ErrMin= 1.75D-05
 ErrMax= 1.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.57D-08 BMatP= 1.89D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.392D-04 0.144D+00 0.693D-01 0.397D+00 0.390D+00
 Coeff:     -0.392D-04 0.144D+00 0.693D-01 0.397D+00 0.390D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.07D-07 MaxDP=3.89D-05 DE=-1.22D-07 OVMax= 5.54D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.56D-07    CP:  1.00D+00  9.86D-01  3.91D-01  6.95D-01  5.90D-01
 E= -1013.45104216123     Delta-E=       -0.000000057064 Rises=F Damp=F
 DIIS: error= 1.27D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45104216123     IErMin= 6 ErrMin= 1.27D-06
 ErrMax= 1.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.92D-10 BMatP= 6.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.189D-04 0.515D-01 0.255D-01 0.151D+00 0.177D+00 0.595D+00
 Coeff:     -0.189D-04 0.515D-01 0.255D-01 0.151D+00 0.177D+00 0.595D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.83D-08 MaxDP=4.21D-06 DE=-5.71D-08 OVMax= 5.69D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.60D-08    CP:  1.00D+00  9.86D-01  3.93D-01  6.97D-01  5.91D-01
                    CP:  8.95D-01
 E= -1013.45104216186     Delta-E=       -0.000000000623 Rises=F Damp=F
 DIIS: error= 3.78D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45104216186     IErMin= 7 ErrMin= 3.78D-07
 ErrMax= 3.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-10 BMatP= 7.92D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.961D-05 0.969D-02 0.511D-02 0.314D-01 0.457D-01 0.325D+00
 Coeff-Com:  0.583D+00
 Coeff:     -0.961D-05 0.969D-02 0.511D-02 0.314D-01 0.457D-01 0.325D+00
 Coeff:      0.583D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.16D-08 MaxDP=1.79D-06 DE=-6.23D-10 OVMax= 1.73D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.20D-08    CP:  1.00D+00  9.86D-01  3.93D-01  6.98D-01  5.92D-01
                    CP:  9.08D-01  7.50D-01
 E= -1013.45104216199     Delta-E=       -0.000000000136 Rises=F Damp=F
 DIIS: error= 6.86D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45104216199     IErMin= 8 ErrMin= 6.86D-08
 ErrMax= 6.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.84D-12 BMatP= 1.30D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.417D-05 0.222D-02 0.129D-02 0.766D-02 0.130D-01 0.119D+00
 Coeff-Com:  0.266D+00 0.591D+00
 Coeff:     -0.417D-05 0.222D-02 0.129D-02 0.766D-02 0.130D-01 0.119D+00
 Coeff:      0.266D+00 0.591D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=6.19D-07 DE=-1.36D-10 OVMax= 1.01D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.73D-09    CP:  1.00D+00  9.86D-01  3.93D-01  6.98D-01  5.94D-01
                    CP:  9.09D-01  7.49D-01  7.59D-01
 E= -1013.45104216202     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 7.41D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45104216202     IErMin= 8 ErrMin= 6.86D-08
 ErrMax= 7.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-12 BMatP= 4.84D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.218D-05 0.613D-03 0.421D-03 0.236D-02 0.490D-02 0.564D-01
 Coeff-Com:  0.142D+00 0.471D+00 0.322D+00
 Coeff:     -0.218D-05 0.613D-03 0.421D-03 0.236D-02 0.490D-02 0.564D-01
 Coeff:      0.142D+00 0.471D+00 0.322D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.61D-09 MaxDP=4.01D-07 DE=-2.96D-11 OVMax= 6.15D-07

 Error on total polarization charges =  0.04269
 SCF Done:  E(RB97D) =  -1013.45104216     A.U. after    9 cycles
            NFock=  9  Conv=0.56D-08     -V/T= 2.0213
 KE= 9.923560493451D+02 PE=-6.024495523920D+03 EE= 2.172150639862D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 00:59:58 2016, MaxMem=  2952790016 cpu:      1283.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37496.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 01:00:06 2016, MaxMem=  2952790016 cpu:        97.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:00:06 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:00:43 2016, MaxMem=  2952790016 cpu:       439.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.53075453D+00-2.77262048D+00 3.45625603D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000259866    0.000724635   -0.000062507
      2        6          -0.000210382    0.000065751   -0.000174734
      3        8           0.000077881   -0.000003224    0.000059494
      4        7           0.000173564    0.000041359   -0.000170223
      5        1           0.000060822   -0.000085480    0.000245822
      6        6           0.000190755    0.000075143    0.000283929
      7        1           0.000036928    0.000016176   -0.000019088
      8        1           0.000044592    0.000023197    0.000097305
      9        1          -0.000036702   -0.000037808   -0.000095561
     10        6           0.000131363   -0.000129553   -0.000057856
     11        1           0.000042014   -0.000114615    0.000036501
     12        1          -0.000007562    0.000017188    0.000072342
     13        1           0.000037215    0.000017726    0.000053946
     14        6           0.000003064    0.000024801    0.000044870
     15        8          -0.000025650   -0.000029118   -0.000037407
     16        7          -0.000099204    0.000001879    0.000005228
     17        1          -0.000014571    0.000006803   -0.000024528
     18        6          -0.000027879    0.000083225   -0.000002757
     19        1          -0.000056987    0.000109535    0.000019807
     20        1          -0.000006643    0.000012724   -0.000072598
     21        1          -0.000046518   -0.000029707   -0.000022226
     22        6          -0.000076722    0.000007485    0.000069405
     23        1           0.000032022    0.000026845   -0.000093369
     24        1          -0.000007448    0.000049865   -0.000033855
     25        1           0.000011408    0.000020624   -0.000024632
     26        6           0.000050794    0.000068593    0.000014755
     27        8          -0.000078826   -0.000009419    0.000032588
     28        7           0.000073613   -0.000089047    0.000074797
     29        1          -0.000028612   -0.000024230    0.000030301
     30        6          -0.000057691   -0.000154218    0.000020193
     31        1           0.000030814    0.000064337    0.000041167
     32        1          -0.000002809    0.000017265    0.000018104
     33        1          -0.000001830    0.000002217    0.000023177
     34        6          -0.000080263   -0.000035913   -0.000025059
     35        1          -0.000039958   -0.000057855    0.000024109
     36        1           0.000050927   -0.000014010    0.000053830
     37        1          -0.000061327    0.000009114   -0.000004806
     38        6          -0.000112172    0.000281040   -0.000119615
     39        8           0.000045692   -0.000028052   -0.000086419
     40        7          -0.000371813   -0.000134390    0.000225026
     41        1           0.000037559   -0.000081336   -0.000155703
     42        6          -0.000228883   -0.000386621    0.000077464
     43        1           0.000083939    0.000028178    0.000066712
     44        1          -0.000035058    0.000065658   -0.000089162
     45        1          -0.000166400    0.000099165    0.000020740
     46        6           0.000069798   -0.000442783   -0.000197257
     47        1          -0.000010505   -0.000063757   -0.000018863
     48        1           0.000293162   -0.000017453   -0.000124125
     49        1           0.000054621    0.000008063    0.000000738
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000724635 RMS     0.000121659
 Leave Link  716 at Mon Nov 14 01:00:43 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000219456 RMS     0.000032635
 Search for a local minimum.
 Step number  16 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .32635D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13   14   15   16
 DE= -3.78D-05 DEPred=-1.80D-05 R= 2.11D+00
 TightC=F SS=  1.41D+00  RLast= 1.78D-01 DXNew= 2.2445D+00 5.3482D-01
 Trust test= 2.11D+00 RLast= 1.78D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00041   0.00155   0.00350   0.00361   0.00390
     Eigenvalues ---    0.00406   0.00545   0.00655   0.00728   0.00768
     Eigenvalues ---    0.00866   0.00882   0.00921   0.00959   0.01019
     Eigenvalues ---    0.01024   0.01054   0.01201   0.01248   0.01310
     Eigenvalues ---    0.01356   0.01387   0.01518   0.01531   0.01554
     Eigenvalues ---    0.01590   0.01621   0.01773   0.01787   0.01862
     Eigenvalues ---    0.01899   0.01945   0.02034   0.02061   0.02142
     Eigenvalues ---    0.02182   0.02270   0.02301   0.02747   0.02904
     Eigenvalues ---    0.03000   0.03291   0.03435   0.03674   0.04161
     Eigenvalues ---    0.04274   0.04487   0.04962   0.05208   0.05626
     Eigenvalues ---    0.05744   0.06063   0.06078   0.06242   0.06742
     Eigenvalues ---    0.07032   0.07283   0.07708   0.07775   0.07967
     Eigenvalues ---    0.08099   0.08171   0.08259   0.08446   0.08499
     Eigenvalues ---    0.08538   0.08677   0.08777   0.08891   0.09018
     Eigenvalues ---    0.09129   0.09198   0.09741   0.09893   0.10025
     Eigenvalues ---    0.10055   0.10110   0.10206   0.10454   0.10555
     Eigenvalues ---    0.10567   0.10587   0.10754   0.11287   0.11430
     Eigenvalues ---    0.11546   0.11645   0.11930   0.12457   0.13369
     Eigenvalues ---    0.13499   0.14478   0.14670   0.15320   0.15599
     Eigenvalues ---    0.15735   0.16536   0.22101   0.23182   0.23735
     Eigenvalues ---    0.24130   0.24570   0.25120   0.25750   0.26554
     Eigenvalues ---    0.27006   0.27915   0.28963   0.29281   0.29849
     Eigenvalues ---    0.29923   0.30094   0.32726   0.32737   0.32821
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33385
     Eigenvalues ---    0.33416   0.33426   0.33442   0.33499   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33832   0.33906   0.33915
     Eigenvalues ---    0.33949   0.34004   0.34149   0.37204   0.39453
     Eigenvalues ---    0.40626   0.41660   0.85943   0.85988   0.86095
     Eigenvalues ---    0.87529
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    16   15   14   13   12
 RFO step:  Lambda=-4.45901383D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.90D-05 SmlDif=  1.00D-05
 RMS Error=  0.2354332099D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.51068   -1.24344   -1.38773    1.39297   -0.27248
 Iteration  1 RMS(Cart)=  0.00706610 RMS(Int)=  0.00054296
 Iteration  2 RMS(Cart)=  0.00038050 RMS(Int)=  0.00004518
 Iteration  3 RMS(Cart)=  0.00000181 RMS(Int)=  0.00004514
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00004514
 ITry= 1 IFail=0 DXMaxC= 8.05D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.67813  -0.00012  -0.01980  -0.00200  -0.02181   6.65632
    R2        6.22338  -0.00002  -0.00523   0.00083  -0.00440   6.21898
    R3        7.01499   0.00000   0.00038   0.00209   0.00246   7.01745
    R4        6.05513   0.00004   0.00196   0.00254   0.00451   6.05964
    R5        6.58751   0.00003  -0.00615   0.00015  -0.00599   6.58152
    R6        5.93917   0.00003  -0.00837   0.00056  -0.00781   5.93137
    R7        6.72581   0.00001   0.00188   0.00005   0.00193   6.72774
    R8        6.22841  -0.00002   0.00068   0.00012   0.00081   6.22923
    R9        6.62778   0.00000  -0.00372   0.00095  -0.00277   6.62501
   R10        6.07367  -0.00001   0.00510  -0.00012   0.00498   6.07865
   R11        6.99254  -0.00004   0.00264  -0.00084   0.00181   6.99435
   R12        6.04920  -0.00001   0.00510  -0.00123   0.00387   6.05307
   R13        6.92586  -0.00001  -0.00491  -0.00116  -0.00608   6.91978
   R14        6.19375   0.00002  -0.00007   0.00033   0.00025   6.19400
   R15        6.86792   0.00001  -0.00050   0.00000  -0.00050   6.86742
   R16        5.95024   0.00000  -0.00292   0.00002  -0.00290   5.94735
   R17        6.66857   0.00002  -0.00368   0.00079  -0.00289   6.66569
   R18        6.65873  -0.00002   0.00690   0.00225   0.00902   6.66776
   R19        6.23097  -0.00006   0.00344  -0.00187   0.00152   6.23248
   R20        6.72013  -0.00005  -0.02436  -0.00052  -0.02488   6.69525
   R21        5.98569   0.00002   0.00697   0.00408   0.01129   5.99698
   R22        6.94916  -0.00020   0.01099  -0.00516   0.00585   6.95501
   R23        5.99465  -0.00022   0.00992  -0.00925   0.00059   5.99524
   R24        2.34848  -0.00002  -0.00002  -0.00001  -0.00003   2.34846
   R25        2.57271   0.00011   0.00019   0.00007   0.00027   2.57298
   R26        2.09494  -0.00006   0.00012  -0.00018  -0.00006   2.09488
   R27        2.76527   0.00005  -0.00002   0.00017   0.00018   2.76545
   R28        2.76713   0.00005   0.00024   0.00015   0.00036   2.76750
   R29        2.07610  -0.00001   0.00001   0.00005   0.00006   2.07617
   R30        2.08263   0.00003  -0.00002   0.00011   0.00010   2.08273
   R31        2.08316  -0.00002  -0.00005  -0.00005  -0.00010   2.08306
   R32        2.08041   0.00003   0.00023   0.00001   0.00025   2.08066
   R33        2.07461   0.00000   0.00002  -0.00004  -0.00002   2.07459
   R34        2.08383  -0.00002  -0.00012  -0.00003  -0.00014   2.08369
   R35        2.34894  -0.00001   0.00007  -0.00001   0.00006   2.34899
   R36        2.57087   0.00005  -0.00010   0.00005  -0.00007   2.57080
   R37        2.09364   0.00000  -0.00003   0.00002  -0.00001   2.09364
   R38        2.76890   0.00001   0.00009   0.00010   0.00018   2.76908
   R39        2.76484   0.00002  -0.00018   0.00011  -0.00013   2.76471
   R40        2.08123   0.00002   0.00000  -0.00001  -0.00001   2.08121
   R41        2.08396  -0.00001  -0.00001  -0.00002  -0.00002   2.08394
   R42        2.07499   0.00001   0.00005  -0.00002   0.00002   2.07501
   R43        2.08320   0.00000   0.00003  -0.00001   0.00002   2.08322
   R44        2.08374   0.00002   0.00005  -0.00003   0.00000   2.08373
   R45        2.07671   0.00000   0.00000   0.00002   0.00002   2.07673
   R46        2.34812   0.00001   0.00003   0.00000   0.00003   2.34815
   R47        2.57118   0.00005   0.00014   0.00006   0.00021   2.57139
   R48        2.09369   0.00000  -0.00001   0.00000  -0.00001   2.09369
   R49        2.76503  -0.00001   0.00013   0.00001   0.00015   2.76518
   R50        2.76970   0.00000   0.00010   0.00004   0.00015   2.76985
   R51        2.08454  -0.00001  -0.00006  -0.00001  -0.00007   2.08447
   R52        2.08149  -0.00002   0.00023  -0.00008   0.00018   2.08167
   R53        2.07602   0.00000   0.00001  -0.00001   0.00000   2.07602
   R54        2.08508   0.00000  -0.00001  -0.00001  -0.00002   2.08506
   R55        2.07443  -0.00002   0.00006  -0.00006  -0.00001   2.07442
   R56        2.07779   0.00000  -0.00020   0.00004  -0.00016   2.07763
   R57        2.34770   0.00003   0.00089  -0.00019   0.00070   2.34840
   R58        2.57209   0.00005  -0.00113   0.00050  -0.00063   2.57146
   R59        2.09541  -0.00001  -0.00008  -0.00001  -0.00009   2.09532
   R60        2.76741   0.00000  -0.00004  -0.00001  -0.00017   2.76725
   R61        2.76405   0.00006   0.00141  -0.00113   0.00019   2.76424
   R62        2.07251  -0.00004   0.00028   0.00015   0.00042   2.07293
   R63        2.08424  -0.00001   0.00002  -0.00008  -0.00006   2.08418
   R64        2.08144  -0.00005  -0.00091   0.00017  -0.00061   2.08083
   R65        2.07700   0.00002   0.00019  -0.00014   0.00005   2.07705
   R66        2.08334   0.00003  -0.00053   0.00090   0.00049   2.08383
   R67        2.08295   0.00003  -0.00015   0.00025   0.00010   2.08305
    A1        0.69302   0.00002   0.00072  -0.00003   0.00069   0.69371
    A2        0.97742   0.00003   0.00084  -0.00007   0.00076   0.97819
    A3        0.71842   0.00003   0.00165   0.00013   0.00178   0.72020
    A4        1.01337   0.00003   0.00201   0.00012   0.00213   1.01550
    A5        2.30661   0.00000   0.00186   0.00025   0.00213   2.30874
    A6        1.98607  -0.00001   0.00234   0.00027   0.00262   1.98869
    A7        1.94448  -0.00002   0.00260   0.00022   0.00283   1.94731
    A8        1.64894  -0.00002   0.00172   0.00033   0.00206   1.65101
    A9        1.61928  -0.00001   0.00230   0.00020   0.00253   1.62181
   A10        1.33735  -0.00002   0.00245   0.00020   0.00269   1.34003
   A11        1.74490   0.00001   0.00010  -0.00011  -0.00003   1.74488
   A12        2.03901   0.00002   0.00080   0.00000   0.00078   2.03980
   A13        1.93047   0.00002   0.00142   0.00001   0.00143   1.93190
   A14        2.00789   0.00002   0.00080   0.00013   0.00092   2.00881
   A15        2.44054   0.00002   0.00055  -0.00005   0.00048   2.44102
   A16        1.54232  -0.00004   0.00648   0.00084   0.00731   1.54963
   A17        1.77672   0.00002   0.00505   0.00061   0.00564   1.78236
   A18        1.60167   0.00002   0.00170   0.00022   0.00194   1.60361
   A19        1.72884   0.00000   0.00786   0.00049   0.00830   1.73714
   A20        2.18413   0.00004   0.00467   0.00083   0.00551   2.18964
   A21        2.42013   0.00003   0.00311   0.00058   0.00366   2.42378
   A22        0.65985   0.00001   0.00041  -0.00006   0.00035   0.66020
   A23        0.66418   0.00001   0.00079  -0.00002   0.00078   0.66495
   A24        2.37809  -0.00001  -0.00009   0.00004  -0.00005   2.37804
   A25        2.19344   0.00000   0.00151   0.00017   0.00169   2.19512
   A26        2.28805   0.00000   0.00297   0.00024   0.00321   2.29126
   A27        2.01894   0.00000   0.00226   0.00040   0.00266   2.02160
   A28        1.78901  -0.00001   0.00163   0.00009   0.00173   1.79074
   A29        1.54187  -0.00002   0.00231   0.00015   0.00248   1.54435
   A30        1.35168  -0.00001  -0.00091  -0.00021  -0.00112   1.35056
   A31        1.64741   0.00000  -0.00065  -0.00016  -0.00081   1.64660
   A32        1.59508  -0.00001  -0.00053  -0.00021  -0.00075   1.59434
   A33        1.74331  -0.00001  -0.00124  -0.00014  -0.00138   1.74192
   A34        2.04546   0.00000  -0.00058  -0.00016  -0.00074   2.04471
   A35        1.75683   0.00000   0.01023   0.00139   0.01162   1.76845
   A36        1.86012   0.00005   0.00871   0.00114   0.00984   1.86996
   A37        1.54922   0.00004   0.00520   0.00079   0.00603   1.55525
   A38        1.56348   0.00001   0.01042   0.00091   0.01132   1.57480
   A39        2.24163   0.00006   0.00677   0.00102   0.00781   2.24944
   A40        2.36048   0.00001   0.00377   0.00036   0.00414   2.36462
   A41        0.70426   0.00002   0.00027  -0.00008   0.00019   0.70445
   A42        0.77322   0.00001   0.00069  -0.00007   0.00062   0.77384
   A43        2.67520   0.00000  -0.00192  -0.00022  -0.00214   2.67306
   A44        2.59368   0.00001   0.00112   0.00003   0.00115   2.59483
   A45        2.63299   0.00000   0.00359   0.00024   0.00383   2.63683
   A46        2.32347   0.00000   0.00313   0.00036   0.00349   2.32695
   A47        2.18828   0.00000   0.00135  -0.00005   0.00131   2.18959
   A48        1.94559  -0.00001   0.00222   0.00003   0.00227   1.94786
   A49        1.12150  -0.00001  -0.00203  -0.00029  -0.00233   1.11917
   A50        1.48136   0.00000  -0.00177  -0.00023  -0.00200   1.47936
   A51        1.58976  -0.00001  -0.00178  -0.00034  -0.00212   1.58764
   A52        1.82565  -0.00001  -0.00231  -0.00031  -0.00262   1.82303
   A53        1.80035   0.00000  -0.00162  -0.00015  -0.00178   1.79857
   A54        1.56787   0.00001   0.01196   0.00174   0.01370   1.58157
   A55        1.54812   0.00005   0.00998   0.00143   0.01140   1.55952
   A56        1.18260   0.00004   0.00651   0.00110   0.00764   1.19025
   A57        1.16242   0.00001   0.01078   0.00108   0.01185   1.17426
   A58        1.88454   0.00005   0.00696   0.00110   0.00805   1.89260
   A59        1.96225   0.00000   0.00380   0.00043   0.00422   1.96647
   A60        0.84420   0.00002   0.00121   0.00011   0.00131   0.84552
   A61        0.79058   0.00002   0.00173   0.00017   0.00190   0.79248
   A62        2.60554  -0.00001  -0.00230  -0.00007  -0.00237   2.60317
   A63        2.75732   0.00001   0.00037   0.00010   0.00046   2.75778
   A64        2.59599   0.00000   0.00305   0.00023   0.00329   2.59928
   A65        2.38133   0.00001   0.00159   0.00006   0.00166   2.38299
   A66        2.17955   0.00000   0.00273   0.00012   0.00288   2.18243
   A67        0.87112  -0.00002  -0.00190  -0.00017  -0.00208   0.86904
   A68        1.24518  -0.00001  -0.00154  -0.00008  -0.00163   1.24355
   A69        1.43179  -0.00001  -0.00137  -0.00013  -0.00151   1.43028
   A70        1.70332  -0.00001  -0.00169  -0.00012  -0.00181   1.70151
   A71        1.52731  -0.00001  -0.00157  -0.00004  -0.00162   1.52570
   A72        1.58963   0.00001   0.01096   0.00153   0.01250   1.60213
   A73        1.46088   0.00005   0.00929   0.00128   0.01055   1.47143
   A74        1.05083   0.00004   0.00685   0.00111   0.00798   1.05882
   A75        0.95365   0.00001   0.01068   0.00110   0.01177   0.96542
   A76        1.72717   0.00004   0.00561   0.00081   0.00640   1.73357
   A77        1.74295  -0.00001   0.00268   0.00016   0.00285   1.74580
   A78        1.99116  -0.00001  -0.00138  -0.00007  -0.00144   1.98972
   A79        1.92507  -0.00001  -0.00020   0.00001  -0.00018   1.92490
   A80        2.19894  -0.00001   0.00107   0.00002   0.00110   2.20004
   A81        2.04734   0.00000   0.00048   0.00024   0.00072   2.04806
   A82        1.53716  -0.00001   0.00037  -0.00006   0.00033   1.53749
   A83        1.36012  -0.00002   0.00142   0.00003   0.00147   1.36159
   A84        1.18547   0.00000   0.00044   0.00002   0.00046   1.18592
   A85        1.37345   0.00000   0.00018  -0.00001   0.00017   1.37362
   A86        1.21213  -0.00001  -0.00026  -0.00012  -0.00038   1.21175
   A87        1.32134  -0.00001  -0.00141  -0.00009  -0.00150   1.31984
   A88        1.80118   0.00000   0.00042  -0.00005   0.00038   1.80155
   A89        2.18858   0.00000   0.01069   0.00140   0.01207   2.20065
   A90        2.25090   0.00006   0.01010   0.00132   0.01140   2.26230
   A91        1.87866   0.00006   0.00739   0.00112   0.00853   1.88719
   A92        1.79270   0.00003   0.01195   0.00124   0.01318   1.80588
   A93        2.57098   0.00006   0.00691   0.00094   0.00782   2.57881
   A94        2.53919  -0.00001   0.00262  -0.00005   0.00257   2.54177
   A95        1.90377  -0.00002  -0.00284  -0.00017  -0.00299   1.90078
   A96        1.96984  -0.00001  -0.00169  -0.00009  -0.00177   1.96807
   A97        2.34188   0.00000  -0.00058  -0.00009  -0.00067   2.34121
   A98        2.28461   0.00001  -0.00056   0.00017  -0.00039   2.28421
   A99        1.63789  -0.00001  -0.00068  -0.00013  -0.00080   1.63709
   A100       1.53173  -0.00001   0.00076  -0.00001   0.00076   1.53249
   A101       0.88387   0.00000   0.00068   0.00006   0.00074   0.88461
   A102       1.05658  -0.00001  -0.00019  -0.00002  -0.00021   1.05637
   A103       0.93163  -0.00001  -0.00121  -0.00018  -0.00138   0.93025
   A104       1.09436  -0.00002  -0.00246  -0.00018  -0.00264   1.09172
   A105       1.48410  -0.00001   0.00007  -0.00006   0.00002   1.48412
   A106       2.34106   0.00002   0.01266   0.00167   0.01433   2.35540
   A107       2.24727   0.00007   0.01093   0.00145   0.01235   2.25962
   A108       1.82723   0.00006   0.00897   0.00134   0.01031   1.83754
   A109       1.65519   0.00004   0.01193   0.00134   0.01326   1.66845
   A110       2.42543   0.00003   0.00521   0.00061   0.00575   2.43117
   A111       2.28745  -0.00003   0.00143  -0.00028   0.00117   2.28861
   A112       0.71308   0.00001   0.00005  -0.00001   0.00003   0.71311
   A113       1.00414   0.00002  -0.00019  -0.00001  -0.00021   1.00394
   A114       0.69244   0.00001  -0.00029   0.00005  -0.00026   0.69218
   A115       0.97854   0.00002  -0.00030   0.00006  -0.00026   0.97828
   A116       1.78948   0.00000  -0.00063   0.00009  -0.00054   1.78894
   A117       1.41253  -0.00001  -0.00102  -0.00002  -0.00104   1.41150
   A118       1.17568   0.00000  -0.00103   0.00006  -0.00096   1.17472
   A119       0.90246   0.00000  -0.00056   0.00005  -0.00050   0.90196
   A120       1.24433  -0.00001  -0.00066  -0.00010  -0.00077   1.24357
   A121       2.03777   0.00000  -0.00981  -0.00152  -0.01134   2.02643
   A122       2.03737  -0.00005  -0.00862  -0.00121  -0.00983   2.02754
   A123       2.34508  -0.00003  -0.00478  -0.00073  -0.00556   2.33953
   A124       2.24684   0.00000  -0.00946  -0.00070  -0.01015   2.23669
   A125       1.66331  -0.00006  -0.00674  -0.00107  -0.00782   1.65549
   A126       1.51043  -0.00002  -0.00475  -0.00065  -0.00542   1.50502
   A127       0.65556   0.00001  -0.00039   0.00001  -0.00038   0.65518
   A128       0.66039   0.00002  -0.00038   0.00006  -0.00033   0.66005
   A129       2.14355   0.00001  -0.00022   0.00013  -0.00008   2.14346
   A130       1.77720   0.00000  -0.00072   0.00001  -0.00071   1.77650
   A131       1.47693   0.00001  -0.00045   0.00009  -0.00035   1.47658
   A132       1.18472   0.00001  -0.00027   0.00010  -0.00017   1.18455
   A133       1.63642   0.00000  -0.00083  -0.00010  -0.00093   1.63549
   A134       1.90062  -0.00003  -0.00956  -0.00153  -0.01111   1.88951
   A135       2.06445  -0.00006  -0.00948  -0.00137  -0.01084   2.05360
   A136       2.47393  -0.00006  -0.00735  -0.00120  -0.00857   2.46536
   A137       2.52625  -0.00001  -0.01194  -0.00109  -0.01302   2.51323
   A138       1.78590  -0.00005  -0.00698  -0.00099  -0.00798   1.77792
   A139       1.72715  -0.00001  -0.00499  -0.00047  -0.00549   1.72166
   A140       0.70424   0.00000   0.00003   0.00003   0.00006   0.70430
   A141       0.83932   0.00001  -0.00044  -0.00001  -0.00046   0.83886
   A142       2.48938   0.00001  -0.00112   0.00005  -0.00107   2.48831
   A143       2.11155   0.00000  -0.00143  -0.00004  -0.00148   2.11008
   A144       1.88052   0.00001  -0.00067   0.00006  -0.00061   1.87991
   A145       1.59470   0.00002  -0.00025   0.00006  -0.00019   1.59451
   A146       1.84333   0.00000  -0.00193  -0.00011  -0.00205   1.84129
   A147       1.47385  -0.00003  -0.00964  -0.00147  -0.01113   1.46272
   A148       1.68297  -0.00006  -0.00946  -0.00130  -0.01075   1.67222
   A149       2.10703  -0.00006  -0.00801  -0.00125  -0.00927   2.09776
   A150       2.27842  -0.00003  -0.01226  -0.00128  -0.01354   2.26488
   A151       1.49244  -0.00004  -0.00658  -0.00076  -0.00734   1.48510
   A152       1.53481   0.00001  -0.00467  -0.00014  -0.00485   1.52996
   A153       0.76120   0.00001  -0.00115   0.00014  -0.00101   0.76019
   A154       0.77065   0.00002  -0.00195   0.00012  -0.00183   0.76882
   A155       2.79346   0.00002  -0.00078   0.00008  -0.00070   2.79276
   A156       2.41633   0.00001  -0.00125  -0.00004  -0.00129   2.41504
   A157       2.12919   0.00002  -0.00079   0.00012  -0.00067   2.12851
   A158       1.83591   0.00002  -0.00071   0.00014  -0.00058   1.83533
   A159       2.15851   0.00000  -0.00151  -0.00020  -0.00172   2.15679
   A160       1.33883  -0.00004  -0.00716  -0.00141  -0.00859   1.33024
   A161       1.63925  -0.00007  -0.00693  -0.00130  -0.00823   1.63102
   A162       2.04240  -0.00007  -0.00630  -0.00136  -0.00766   2.03474
   A163       2.29810  -0.00005  -0.00855  -0.00135  -0.00994   2.28816
   A164       1.57020  -0.00004  -0.00388  -0.00068  -0.00455   1.56565
   A165       1.69318   0.00002  -0.00246  -0.00009  -0.00260   1.69058
   A166       2.11828   0.00001   0.00121   0.00017   0.00137   2.11965
   A167       1.82806   0.00001   0.00053   0.00006   0.00057   1.82863
   A168       1.43938   0.00001   0.00066   0.00009   0.00074   1.44012
   A169       1.16221   0.00001   0.00028   0.00012   0.00038   1.16259
   A170       1.85045   0.00000   0.00022  -0.00005   0.00015   1.85060
   A171       2.09865  -0.00004  -0.00800  -0.00123  -0.00926   2.08939
   A172       2.38018  -0.00006  -0.00909  -0.00123  -0.01032   2.36986
   A173       2.79993  -0.00006  -0.00778  -0.00123  -0.00902   2.79091
   A174       2.17417  -0.00005  -0.00703  -0.00084  -0.00789   2.16629
   A175       2.13250   0.00000  -0.00521  -0.00039  -0.00565   2.12685
   A176       2.21022   0.00001   0.00257   0.00025   0.00281   2.21303
   A177       2.00011   0.00001   0.00170   0.00015   0.00184   2.00194
   A178       1.58853   0.00001   0.00174   0.00016   0.00188   1.59041
   A179       1.34206   0.00001   0.00095   0.00019   0.00112   1.34318
   A180       2.10588   0.00001   0.00097   0.00001   0.00095   2.10683
   A181       2.02431  -0.00004  -0.00625  -0.00098  -0.00726   2.01705
   A182       2.38646  -0.00005  -0.00750  -0.00104  -0.00856   2.37790
   A183       2.71048  -0.00004  -0.00507  -0.00089  -0.00601   2.70447
   A184       2.32374  -0.00003  -0.00661  -0.00069  -0.00731   2.31643
   A185       2.36058   0.00001  -0.00536  -0.00027  -0.00568   2.35490
   A186       0.68881   0.00000   0.00042   0.00007   0.00050   0.68930
   A187       0.97934   0.00000   0.00048   0.00005   0.00053   0.97987
   A188       0.69743   0.00001   0.00031   0.00007   0.00038   0.69782
   A189       2.04428   0.00003   0.00463   0.00084   0.00549   2.04977
   A190       1.68378   0.00004   0.00420   0.00073   0.00490   1.68869
   A191       1.33376   0.00004   0.00488   0.00091   0.00578   1.33954
   A192       1.03737   0.00004   0.00463   0.00078   0.00545   1.04282
   A193       1.62039   0.00001   0.00054  -0.00002   0.00051   1.62089
   A194       1.41596  -0.00004  -0.00052  -0.00052  -0.00098   1.41498
   A195       0.66724  -0.00001   0.00037  -0.00005   0.00032   0.66756
   A196       2.22265   0.00004   0.00093   0.00040   0.00133   2.22399
   A197       1.82694   0.00003   0.00137   0.00041   0.00175   1.82869
   A198       1.57223   0.00003   0.00369   0.00078   0.00444   1.57668
   A199       1.26411   0.00004   0.00142   0.00056   0.00200   1.26612
   A200       1.62117  -0.00001  -0.00196  -0.00037  -0.00236   1.61881
   A201       1.35627  -0.00004  -0.00228  -0.00074  -0.00297   1.35330
   A202       0.71217   0.00000   0.00043  -0.00004   0.00039   0.71256
   A203       2.62595   0.00004  -0.00062   0.00021  -0.00044   2.62552
   A204       2.23048   0.00002   0.00047   0.00030   0.00072   2.23121
   A205       1.98229   0.00003   0.00408   0.00082   0.00487   1.98715
   A206       1.67409   0.00004   0.00211   0.00061   0.00273   1.67682
   A207       1.96660  -0.00002  -0.00341  -0.00054  -0.00400   1.96260
   A208       1.68226  -0.00005  -0.00327  -0.00080  -0.00402   1.67824
   A209       0.83711  -0.00001   0.00120  -0.00013   0.00108   0.83818
   A210       2.72224   0.00003  -0.00575  -0.00073  -0.00651   2.71573
   A211       2.37959   0.00000  -0.00180  -0.00017  -0.00202   2.37757
   A212       2.22941   0.00002   0.00350   0.00062   0.00407   2.23348
   A213       1.92431   0.00003   0.00083   0.00041   0.00123   1.92554
   A214       2.02902  -0.00004  -0.00421  -0.00084  -0.00509   2.02393
   A215       1.74403  -0.00005  -0.00328  -0.00091  -0.00415   1.73988
   A216       1.92960   0.00004  -0.00320  -0.00004  -0.00323   1.92637
   A217       1.54900   0.00002  -0.00202   0.00010  -0.00193   1.54706
   A218       1.43455   0.00002   0.00076   0.00047   0.00119   1.43574
   A219       1.15763   0.00004  -0.00378   0.00016  -0.00358   1.15405
   A220       1.25452  -0.00002  -0.00377  -0.00049  -0.00428   1.25023
   A221       0.97170  -0.00004  -0.00349  -0.00075  -0.00419   0.96751
   A222       0.71357  -0.00001   0.00032  -0.00001   0.00031   0.71389
   A223       1.00718  -0.00001   0.00003   0.00005   0.00006   1.00724
   A224       0.69664   0.00007  -0.00046   0.00027  -0.00020   0.69645
   A225       0.98383   0.00008  -0.00108   0.00041  -0.00066   0.98317
   A226       0.66202   0.00001  -0.00115  -0.00005  -0.00123   0.66080
   A227       0.66285   0.00003  -0.00087   0.00030  -0.00055   0.66230
   A228       0.70208   0.00001   0.00060   0.00003   0.00063   0.70270
   A229       0.83601  -0.00001   0.00033   0.00002   0.00038   0.83639
   A230       0.78677   0.00001  -0.00571  -0.00048  -0.00619   0.78058
   A231       0.80018  -0.00001  -0.00719  -0.00070  -0.00782   0.79235
   A232       1.67381  -0.00006  -0.00515  -0.00138  -0.00655   1.66726
   A233       1.81764  -0.00017  -0.00093   0.00006  -0.00087   1.81677
   A234       2.19228  -0.00005   0.00009  -0.00014   0.00001   2.19229
   A235       2.12851   0.00007  -0.00004   0.00027   0.00018   2.12869
   A236       1.96220  -0.00003  -0.00009  -0.00014  -0.00024   1.96196
   A237       2.12280  -0.00003  -0.00066  -0.00008  -0.00072   2.12208
   A238       2.12378   0.00001   0.00044  -0.00006   0.00034   2.12412
   A239       2.03612   0.00002   0.00007   0.00011   0.00016   2.03628
   A240       1.75533  -0.00001   0.00309   0.00071   0.00380   1.75913
   A241       2.60972   0.00004  -0.00277  -0.00031  -0.00309   2.60663
   A242       1.91251   0.00000  -0.00026  -0.00022  -0.00047   1.91204
   A243       1.91299   0.00002   0.00078   0.00032   0.00110   1.91409
   A244       1.92467   0.00001  -0.00045  -0.00039  -0.00088   1.92379
   A245       1.90812  -0.00001  -0.00039   0.00009  -0.00031   1.90781
   A246       1.91090  -0.00003   0.00003  -0.00023  -0.00020   1.91071
   A247       1.89448   0.00001   0.00029   0.00045   0.00076   1.89524
   A248       1.36967  -0.00005   0.00096  -0.00052   0.00044   1.37011
   A249       1.90807  -0.00002  -0.00003   0.00017   0.00014   1.90821
   A250       1.90838  -0.00002  -0.00015  -0.00007  -0.00023   1.90815
   A251       1.92805   0.00002  -0.00020  -0.00004  -0.00025   1.92781
   A252       1.91097  -0.00002  -0.00007  -0.00015  -0.00022   1.91075
   A253       1.89520   0.00001   0.00016  -0.00002   0.00014   1.89534
   A254       1.91305   0.00003   0.00031   0.00012   0.00042   1.91347
   A255       1.71380   0.00002  -0.00080   0.00012  -0.00069   1.71311
   A256       1.78547  -0.00001   0.00128  -0.00003   0.00125   1.78672
   A257       2.18970  -0.00001  -0.00021   0.00004  -0.00016   2.18954
   A258       2.13030   0.00000   0.00006  -0.00004   0.00002   2.13032
   A259       1.96299   0.00002   0.00015   0.00000   0.00013   1.96312
   A260       2.12196   0.00002  -0.00019   0.00012  -0.00007   2.12189
   A261       2.12492  -0.00001  -0.00006  -0.00009  -0.00017   2.12475
   A262       2.03627  -0.00001   0.00025  -0.00003   0.00023   2.03651
   A263       1.32367   0.00003  -0.00689   0.00081  -0.00608   1.31759
   A264       1.89846   0.00001  -0.00046  -0.00001  -0.00047   1.89798
   A265       1.93250   0.00000   0.00045  -0.00016   0.00030   1.93280
   A266       1.91006   0.00001  -0.00003   0.00010   0.00007   1.91013
   A267       1.89907   0.00000   0.00022   0.00000   0.00022   1.89929
   A268       1.91253   0.00000  -0.00042  -0.00007  -0.00050   1.91203
   A269       1.91107  -0.00001   0.00023   0.00015   0.00037   1.91145
   A270       2.63614   0.00001   0.00187   0.00023   0.00210   2.63824
   A271       1.72871  -0.00001  -0.00175  -0.00024  -0.00200   1.72671
   A272       1.92299   0.00000   0.00024   0.00004   0.00028   1.92327
   A273       1.91504   0.00003  -0.00026  -0.00003  -0.00032   1.91472
   A274       1.91402   0.00000  -0.00010   0.00002  -0.00007   1.91396
   A275       1.89497   0.00000   0.00013   0.00003   0.00016   1.89513
   A276       1.91067   0.00000   0.00002  -0.00004  -0.00002   1.91065
   A277       1.90595  -0.00002  -0.00003  -0.00001  -0.00003   1.90592
   A278       1.81988  -0.00005  -0.00136  -0.00032  -0.00168   1.81821
   A279       1.75523  -0.00003  -0.00069  -0.00050  -0.00119   1.75404
   A280       2.18879  -0.00002  -0.00017   0.00016  -0.00001   2.18878
   A281       2.13053   0.00003   0.00022  -0.00009   0.00012   2.13065
   A282       1.96380  -0.00001  -0.00005  -0.00007  -0.00012   1.96367
   A283       2.12120  -0.00001   0.00049   0.00000   0.00047   2.12167
   A284       2.11330   0.00001  -0.00092   0.00010  -0.00082   2.11248
   A285       2.04446   0.00000   0.00081  -0.00004   0.00077   2.04524
   A286       2.69270   0.00003  -0.00226   0.00026  -0.00200   2.69070
   A287       1.66640  -0.00002   0.00249  -0.00020   0.00229   1.66869
   A288       1.92719   0.00000  -0.00035  -0.00002  -0.00038   1.92681
   A289       1.91548  -0.00001   0.00074  -0.00009   0.00065   1.91614
   A290       1.91194  -0.00001  -0.00016   0.00006  -0.00010   1.91184
   A291       1.89023   0.00002   0.00024   0.00005   0.00029   1.89052
   A292       1.91229  -0.00001  -0.00024  -0.00007  -0.00031   1.91198
   A293       1.90647   0.00000  -0.00022   0.00006  -0.00015   1.90632
   A294       1.32496   0.00004  -0.00696   0.00075  -0.00621   1.31876
   A295       1.16968  -0.00002   0.00513  -0.00044   0.00469   1.17437
   A296       1.93426   0.00000   0.00038   0.00000   0.00037   1.93463
   A297       1.90750   0.00002  -0.00077   0.00016  -0.00061   1.90688
   A298       1.89965  -0.00001   0.00012   0.00005   0.00017   1.89982
   A299       1.90865  -0.00002  -0.00044   0.00002  -0.00042   1.90823
   A300       1.90072   0.00000   0.00041  -0.00015   0.00026   1.90098
   A301       1.91296   0.00001   0.00032  -0.00008   0.00024   1.91320
   A302       1.71643   0.00001  -0.01024   0.00170  -0.00854   1.70789
   A303       1.75857  -0.00012   0.01494  -0.00397   0.01096   1.76953
   A304       2.19554   0.00011  -0.00168  -0.00006  -0.00180   2.19374
   A305       2.12845   0.00002   0.00118  -0.00052   0.00076   2.12920
   A306       1.95900  -0.00013   0.00055   0.00050   0.00102   1.96002
   A307       2.13094  -0.00012  -0.00256   0.00006  -0.00244   2.12850
   A308       2.11748   0.00018   0.00238   0.00066   0.00308   2.12056
   A309       2.03449  -0.00006   0.00006  -0.00069  -0.00077   2.03372
   A310       1.46518   0.00004  -0.03258  -0.00247  -0.03496   1.43022
   A311       2.88673   0.00003   0.03230   0.00260   0.03477   2.92151
   A312       1.90711   0.00003   0.00120  -0.00062   0.00049   1.90761
   A313       1.92219   0.00001   0.00132   0.00129   0.00185   1.92404
   A314       1.90943   0.00007  -0.00198   0.00000  -0.00209   1.90734
   A315       1.91705  -0.00007  -0.00072  -0.00015  -0.00056   1.91648
   A316       1.91586  -0.00004  -0.00307   0.00021  -0.00268   1.91318
   A317       1.89214   0.00001   0.00321  -0.00073   0.00296   1.89511
   A318       1.71314  -0.00003   0.00298   0.00106   0.00407   1.71721
   A319       1.91350  -0.00008   0.00044  -0.00015   0.00006   1.91355
   A320       1.91578   0.00000  -0.00135  -0.00088  -0.00217   1.91361
   A321       1.92366  -0.00002  -0.00014   0.00012   0.00002   1.92368
   A322       1.90404   0.00010   0.00041   0.00113   0.00172   1.90576
   A323       1.91104   0.00006   0.00032   0.00020   0.00057   1.91161
   A324       1.89561  -0.00006   0.00032  -0.00042  -0.00018   1.89544
   A325       2.92190   0.00001   0.00343   0.00015   0.00360   2.92550
   A326       3.34812  -0.00001   0.01017   0.00069   0.01083   3.35895
   A327       3.06618  -0.00002   0.01031   0.00069   0.01099   3.07717
   A328       3.28272  -0.00002   0.00126  -0.00040   0.00086   3.28358
   A329       3.23474   0.00002  -0.00666   0.00096  -0.00571   3.22904
   A330       3.23361   0.00001  -0.00740   0.00077  -0.00663   3.22699
   A331       3.62418   0.00003   0.00331   0.00126   0.00464   3.62882
   A332       3.21508   0.00001  -0.00082  -0.00002  -0.00084   3.21425
   A333       3.09148  -0.00005  -0.00740  -0.00104  -0.00848   3.08301
   A334       3.03926  -0.00004  -0.00833  -0.00113  -0.00949   3.02977
   A335       3.23428   0.00000   0.00051   0.00003   0.00053   3.23481
   A336       3.08102   0.00000   0.00129  -0.00003   0.00126   3.08227
   A337       3.11030  -0.00001   0.00236  -0.00028   0.00207   3.11237
   A338       3.04055   0.00000   0.00132  -0.00161  -0.00026   3.04028
    D1        2.75042  -0.00002   0.00120   0.00016   0.00136   2.75178
    D2       -1.34967  -0.00002  -0.00112  -0.00006  -0.00117  -1.35085
    D3        2.73818  -0.00001   0.00329   0.00059   0.00386   2.74204
    D4       -1.36191  -0.00001   0.00096   0.00037   0.00132  -1.36059
    D5        1.62966  -0.00001   0.00253   0.00038   0.00290   1.63255
    D6       -2.47043  -0.00001   0.00021   0.00016   0.00036  -2.47007
    D7        1.78537  -0.00001   0.00215   0.00040   0.00254   1.78791
    D8       -2.31472  -0.00001  -0.00018   0.00018   0.00001  -2.31471
    D9        0.25943  -0.00002   0.00577   0.00070   0.00646   0.26589
   D10        2.44253  -0.00002   0.00345   0.00048   0.00392   2.44645
   D11       -0.01291  -0.00002   0.00485   0.00061   0.00545  -0.00746
   D12        2.17019  -0.00002   0.00253   0.00039   0.00291   2.17310
   D13       -0.47690  -0.00002   0.00411   0.00061   0.00469  -0.47221
   D14        1.70619  -0.00002   0.00178   0.00039   0.00216   1.70835
   D15       -0.59654  -0.00002   0.00538   0.00052   0.00588  -0.59066
   D16        1.58655  -0.00002   0.00306   0.00030   0.00335   1.58990
   D17        0.16571  -0.00001   0.00435   0.00067   0.00501   0.17072
   D18        2.34880  -0.00001   0.00203   0.00045   0.00247   2.35128
   D19        0.11348   0.00000   0.00343   0.00058   0.00400   0.11748
   D20        2.29658   0.00000   0.00110   0.00036   0.00146   2.29804
   D21        2.30419   0.00000   0.00616   0.00087   0.00702   2.31122
   D22       -1.79590   0.00000   0.00384   0.00065   0.00449  -1.79141
   D23        2.05169   0.00000   0.00638   0.00085   0.00723   2.05892
   D24       -2.04840   0.00000   0.00406   0.00063   0.00469  -2.04371
   D25        1.61428   0.00000   0.00592   0.00084   0.00675   1.62104
   D26       -2.48581   0.00000   0.00360   0.00062   0.00422  -2.48159
   D27        1.30704   0.00000   0.00566   0.00087   0.00653   1.31357
   D28       -2.79305   0.00000   0.00334   0.00065   0.00400  -2.78905
   D29        2.24391  -0.00001   0.00830   0.00083   0.00913   2.25304
   D30       -1.85618   0.00000   0.00598   0.00061   0.00659  -1.84959
   D31       -1.93226   0.00003   0.01208   0.00187   0.01396  -1.91830
   D32        0.25083   0.00003   0.00975   0.00165   0.01143   0.26226
   D33       -2.25389   0.00005   0.01162   0.00172   0.01333  -2.24057
   D34       -0.07080   0.00005   0.00930   0.00150   0.01079  -0.06001
   D35       -2.64347   0.00005   0.01141   0.00183   0.01323  -2.63024
   D36       -0.46037   0.00005   0.00909   0.00161   0.01069  -0.44968
   D37       -2.92578   0.00004   0.01175   0.00171   0.01349  -2.91229
   D38       -0.74268   0.00004   0.00943   0.00149   0.01095  -0.73173
   D39       -2.22176   0.00003   0.00837   0.00102   0.00937  -2.21239
   D40       -0.03866   0.00003   0.00605   0.00080   0.00683  -0.03183
   D41       -2.44533  -0.00003   0.00590   0.00002   0.00599  -2.43934
   D42       -0.26223  -0.00003   0.00358  -0.00020   0.00345  -0.25878
   D43        1.32277  -0.00003  -0.00353  -0.00088  -0.00439   1.31838
   D44       -1.98431  -0.00002   0.00089   0.00103   0.00193  -1.98238
   D45        2.47916  -0.00001  -0.00141  -0.00057  -0.00198   2.47719
   D46       -0.82792   0.00000   0.00301   0.00134   0.00435  -0.82357
   D47        2.94193  -0.00001  -0.00134  -0.00052  -0.00186   2.94007
   D48       -0.36515   0.00000   0.00308   0.00138   0.00447  -0.36069
   D49        2.83798   0.00002   0.00530  -0.00001   0.00528   2.84326
   D50       -0.46910   0.00003   0.00972   0.00190   0.01160  -0.45750
   D51        2.02867  -0.00001   0.00498   0.00003   0.00503   2.03370
   D52       -1.27841   0.00000   0.00940   0.00194   0.01135  -1.26706
   D53        1.15833  -0.00002   0.00117  -0.00006   0.00112   1.15945
   D54       -2.14875  -0.00001   0.00559   0.00184   0.00744  -2.14131
   D55        1.04048  -0.00002   0.00148  -0.00047   0.00102   1.04150
   D56       -2.26660  -0.00001   0.00590   0.00143   0.00734  -2.25926
   D57        2.02705  -0.00001   0.00148  -0.00022   0.00128   2.02834
   D58       -1.28003   0.00000   0.00590   0.00168   0.00761  -1.27242
   D59        1.85271  -0.00001  -0.00032  -0.00039  -0.00069   1.85202
   D60       -1.45437   0.00000   0.00410   0.00151   0.00563  -1.44873
   D61       -2.31023   0.00000   0.00151  -0.00017   0.00134  -2.30889
   D62        0.66588   0.00001   0.00593   0.00173   0.00767   0.67354
   D63       -2.43304   0.00000   0.00100  -0.00032   0.00069  -2.43235
   D64        0.54307   0.00001   0.00542   0.00159   0.00701   0.55008
   D65       -2.83315   0.00000   0.00091  -0.00035   0.00056  -2.83259
   D66        0.14296   0.00001   0.00533   0.00155   0.00688   0.14984
   D67       -3.00955   0.00000   0.00035  -0.00029   0.00005  -3.00949
   D68       -0.03344   0.00001   0.00477   0.00161   0.00638  -0.02706
   D69       -2.14598  -0.00001   0.00116  -0.00047   0.00069  -2.14528
   D70        0.83013   0.00000   0.00558   0.00143   0.00702   0.83715
   D71       -0.20698   0.00003   0.00072  -0.00010   0.00063  -0.20635
   D72        2.76912   0.00004   0.00514   0.00181   0.00695   2.77608
   D73       -0.60287   0.00002   0.00148  -0.00004   0.00141  -0.60146
   D74        2.37323   0.00003   0.00590   0.00187   0.00773   2.38096
   D75       -0.82400   0.00003   0.00505   0.00051   0.00550  -0.81850
   D76        2.15211   0.00004   0.00947   0.00241   0.01182   2.16393
   D77       -1.15800   0.00004   0.00370   0.00043   0.00411  -1.15390
   D78        1.81810   0.00005   0.00812   0.00234   0.01043   1.82853
   D79       -0.83819  -0.00002  -0.00221  -0.00087  -0.00313  -0.84132
   D80        2.13792  -0.00001   0.00221   0.00103   0.00319   2.14111
   D81       -1.13382  -0.00005  -0.00311  -0.00133  -0.00440  -1.13821
   D82        1.84229  -0.00004   0.00131   0.00057   0.00193   1.84422
   D83       -1.49846   0.00000   0.00084  -0.00002   0.00081  -1.49765
   D84       -2.59246   0.00000   0.00102   0.00007   0.00109  -2.59137
   D85       -2.94899   0.00000   0.00193   0.00030   0.00223  -2.94677
   D86        0.72297   0.00001   0.00473   0.00040   0.00513   0.72810
   D87        0.30488   0.00000   0.00479   0.00039   0.00518   0.31007
   D88       -0.07344   0.00000   0.00556   0.00045   0.00602  -0.06742
   D89       -0.40225  -0.00001   0.00532   0.00038   0.00570  -0.39655
   D90        0.18472   0.00000   0.00367   0.00032   0.00401   0.18873
   D91       -0.04274  -0.00001   0.00283   0.00024   0.00310  -0.03964
   D92        2.36897   0.00002   0.00469   0.00053   0.00523   2.37420
   D93        2.02512   0.00000   0.00411   0.00040   0.00451   2.02963
   D94        1.62776   0.00001   0.00423   0.00044   0.00467   1.63243
   D95        1.34219   0.00001   0.00375   0.00045   0.00420   1.34639
   D96        2.03492  -0.00001   0.00399   0.00026   0.00426   2.03918
   D97       -2.02250   0.00005   0.00871   0.00132   0.01011  -2.01239
   D98       -2.51585   0.00004   0.00538   0.00083   0.00622  -2.50963
   D99       -2.74935   0.00003   0.00650   0.00098   0.00746  -2.74189
   D100      -3.05632   0.00004   0.00207   0.00062   0.00270  -3.05362
   D101      -2.90547  -0.00006  -0.00317  -0.00084  -0.00418  -2.90965
   D102       2.85641  -0.00009  -0.00511  -0.00130  -0.00638   2.85003
   D103      -2.88210   0.00003  -0.00231  -0.00015  -0.00247  -2.88457
   D104       1.21128   0.00003  -0.00251  -0.00015  -0.00266   1.20862
   D105       2.85485   0.00000  -0.00503  -0.00046  -0.00549   2.84935
   D106       0.66504   0.00000  -0.00523  -0.00046  -0.00568   0.65936
   D107       2.36483  -0.00002  -0.00746  -0.00055  -0.00799   2.35684
   D108       0.17503  -0.00002  -0.00765  -0.00055  -0.00818   0.16684
   D109       1.78304  -0.00002  -0.00510  -0.00037  -0.00547   1.77757
   D110      -0.40677  -0.00002  -0.00529  -0.00037  -0.00566  -0.41243
   D111       2.61653   0.00000  -0.00293  -0.00020  -0.00313   2.61340
   D112       0.42673   0.00000  -0.00312  -0.00020  -0.00332   0.42341
   D113       2.28807   0.00000  -0.00254  -0.00016  -0.00270   2.28537
   D114       0.09827   0.00000  -0.00273  -0.00016  -0.00289   0.09538
   D115      -1.60981   0.00001   0.00019  -0.00009   0.00009  -1.60972
   D116       2.48357   0.00001   0.00000  -0.00008  -0.00009   2.48347
   D117      -1.77949   0.00002  -0.00167   0.00013  -0.00155  -1.78104
   D118       2.31389   0.00002  -0.00186   0.00013  -0.00174   2.31215
   D119      -2.73514   0.00002  -0.00004  -0.00011  -0.00017  -2.73531
   D120       1.35824   0.00002  -0.00023  -0.00011  -0.00036   1.35788
   D121      -2.71073   0.00001   0.00059  -0.00001   0.00056  -2.71016
   D122       1.38265   0.00001   0.00040  -0.00001   0.00037   1.38303
   D123       1.37401   0.00000  -0.00305  -0.00025  -0.00330   1.37071
   D124      -0.81580   0.00000  -0.00324  -0.00024  -0.00349  -0.81929
   D125       1.33874   0.00001  -0.00302  -0.00020  -0.00323   1.33551
   D126      -0.85107   0.00001  -0.00322  -0.00020  -0.00342  -0.85449
   D127       1.69302   0.00001  -0.00285  -0.00015  -0.00300   1.69003
   D128      -0.49678   0.00001  -0.00304  -0.00014  -0.00318  -0.49997
   D129       1.81761   0.00000  -0.00161  -0.00021  -0.00181   1.81580
   D130      -0.37220   0.00000  -0.00180  -0.00020  -0.00199  -0.37419
   D131       0.93277   0.00001  -0.00353  -0.00012  -0.00366   0.92911
   D132      -1.25703   0.00001  -0.00373  -0.00012  -0.00385  -1.26088
   D133      -0.88502  -0.00003  -0.00180  -0.00037  -0.00219  -0.88721
   D134      -3.07482  -0.00003  -0.00199  -0.00036  -0.00238  -3.07721
   D135      -0.44045  -0.00003  -0.00456  -0.00072  -0.00527  -0.44571
   D136      -2.63025  -0.00003  -0.00475  -0.00072  -0.00546  -2.63571
   D137      -0.07739  -0.00005  -0.00878  -0.00153  -0.01026  -0.08765
   D138      -2.26719  -0.00005  -0.00897  -0.00153  -0.01045  -2.27764
   D139       0.31473  -0.00004  -0.01039  -0.00147  -0.01181   0.30291
   D140      -1.87508  -0.00004  -0.01058  -0.00146  -0.01200  -1.88708
   D141      -0.26847   0.00001  -0.00199   0.00001  -0.00197  -0.27044
   D142      -2.45827   0.00001  -0.00218   0.00001  -0.00216  -2.46043
   D143      -0.02424   0.00005  -0.00146   0.00045  -0.00107  -0.02530
   D144      -2.21404   0.00005  -0.00165   0.00046  -0.00125  -2.21530
   D145      -2.47786   0.00002   0.00310  -0.00004   0.00308  -2.47478
   D146      -2.70924   0.00000   0.00057  -0.00033   0.00025  -2.70900
   D147      -2.36529   0.00001   0.00011  -0.00058  -0.00047  -2.36575
   D148       3.03065  -0.00001  -0.00043  -0.00033  -0.00075   3.02989
   D149       2.65839  -0.00001  -0.00202  -0.00040  -0.00241   2.65599
   D150       1.52862   0.00000   0.00322  -0.00017   0.00304   1.53166
   D151       2.62556   0.00000   0.00266  -0.00010   0.00254   2.62810
   D152       2.99029   0.00001   0.00314  -0.00006   0.00306   2.99336
   D153       1.27314  -0.00001  -0.00175  -0.00045  -0.00219   1.27095
   D154       1.30580   0.00000  -0.00028  -0.00030  -0.00057   1.30523
   D155       1.68483   0.00000   0.00017  -0.00023  -0.00004   1.68479
   D156       1.75182   0.00000   0.00173  -0.00026   0.00148   1.75330
   D157       0.94084   0.00000   0.00009  -0.00017  -0.00007   0.94078
   D158      -0.97597  -0.00003   0.00591   0.00026   0.00615  -0.96982
   D159      -0.63866   0.00000   0.00507   0.00011   0.00518  -0.63349
   D160      -0.63200  -0.00001   0.00258  -0.00031   0.00230  -0.62970
   D161      -0.31525  -0.00004   0.00680  -0.00026   0.00646  -0.30879
   D162      -0.27677   0.00004   0.00586   0.00058   0.00647  -0.27029
   D163       0.00850   0.00004   0.00509   0.00066   0.00572   0.01421
   D164      -1.27792   0.00002  -0.00360   0.00053  -0.00305  -1.28098
   D165       1.68962   0.00002  -0.00224  -0.00014  -0.00237   1.68725
   D166      -1.63869  -0.00001  -0.00537   0.00034  -0.00502  -1.64371
   D167       1.32885  -0.00001  -0.00401  -0.00034  -0.00434   1.32451
   D168      -1.70492   0.00000  -0.00672   0.00020  -0.00652  -1.71145
   D169       1.26261   0.00000  -0.00537  -0.00048  -0.00584   1.25677
   D170      -1.98332  -0.00001  -0.00691   0.00041  -0.00652  -1.98984
   D171       0.98422  -0.00001  -0.00556  -0.00026  -0.00583   0.97839
   D172      -1.99186  -0.00001  -0.00506   0.00043  -0.00461  -1.99647
   D173       0.97568  -0.00001  -0.00370  -0.00024  -0.00392   0.97175
   D174      -2.29299  -0.00001  -0.00572   0.00040  -0.00529  -2.29829
   D175       0.67454  -0.00001  -0.00436  -0.00027  -0.00461   0.66993
   D176       1.97255   0.00001  -0.00209   0.00054  -0.00155   1.97100
   D177      -1.34309   0.00001  -0.00073  -0.00013  -0.00087  -1.34396
   D178       0.82500   0.00000  -0.00236   0.00062  -0.00175   0.82325
   D179      -2.49065   0.00000  -0.00101  -0.00005  -0.00107  -2.49172
   D180       0.35530   0.00000  -0.00350   0.00080  -0.00270   0.35259
   D181      -2.96035   0.00000  -0.00215   0.00013  -0.00202  -2.96237
   D182      -3.08357   0.00000  -0.00543   0.00051  -0.00491  -3.08849
   D183      -0.11604   0.00000  -0.00407  -0.00016  -0.00423  -0.12026
   D184       2.93385   0.00000  -0.00530   0.00046  -0.00482   2.92902
   D185      -0.38180   0.00000  -0.00394  -0.00021  -0.00414  -0.38594
   D186       3.07792   0.00000  -0.00475   0.00054  -0.00419   3.07373
   D187      -0.23773   0.00000  -0.00340  -0.00013  -0.00350  -0.24123
   D188       2.97796   0.00000  -0.00338   0.00050  -0.00285   2.97511
   D189      -0.33768   0.00000  -0.00202  -0.00017  -0.00217  -0.33985
   D190       2.49045   0.00000  -0.00561   0.00050  -0.00510   2.48536
   D191      -0.82519   0.00000  -0.00425  -0.00017  -0.00441  -0.82961
   D192       0.28817  -0.00003   0.00484   0.00157   0.00639   0.29456
   D193      -3.02748  -0.00003   0.00619   0.00090   0.00708  -3.02040
   D194       0.64790   0.00001   0.00263   0.00113   0.00374   0.65164
   D195      -2.66775   0.00000   0.00399   0.00046   0.00443  -2.66332
   D196       0.52359   0.00001   0.00278   0.00092   0.00365   0.52724
   D197      -2.79205   0.00001   0.00413   0.00025   0.00433  -2.78772
   D198       1.11602   0.00003  -0.00003   0.00127   0.00126   1.11728
   D199      -2.19963   0.00003   0.00132   0.00059   0.00194  -2.19768
   D200       1.45772   0.00005  -0.00181   0.00140  -0.00046   1.45726
   D201      -1.85793   0.00005  -0.00045   0.00072   0.00022  -1.85771
   D202       1.64619   0.00000  -0.00205  -0.00043  -0.00249   1.64370
   D203      -0.57409   0.00000  -0.00139   0.00004  -0.00137  -0.57545
   D204       1.68750   0.00001  -0.00008  -0.00018  -0.00025   1.68725
   D205      -0.53278   0.00001   0.00058   0.00030   0.00087  -0.53191
   D206       1.33511   0.00000   0.00068   0.00001   0.00069   1.33581
   D207      -0.88516   0.00000   0.00134   0.00048   0.00182  -0.88334
   D208       1.17307  -0.00001   0.00001  -0.00017  -0.00016   1.17291
   D209      -1.04721   0.00000   0.00067   0.00030   0.00097  -1.04624
   D210       2.10580   0.00002   0.00104  -0.00006   0.00098   2.10678
   D211      -0.11448   0.00002   0.00170   0.00041   0.00210  -0.11237
   D212       2.22166   0.00003   0.00296   0.00012   0.00307   2.22473
   D213       0.00138   0.00003   0.00362   0.00059   0.00420   0.00558
   D214      -2.23726   0.00001  -0.00019  -0.00016  -0.00035  -2.23762
   D215       1.82565   0.00001   0.00046   0.00031   0.00077   1.82642
   D216      -2.42164   0.00001   0.00112  -0.00008   0.00105  -2.42059
   D217       1.64126   0.00001   0.00178   0.00039   0.00218   1.64344
   D218      -2.06710   0.00001   0.00306   0.00002   0.00308  -2.06402
   D219       1.99581   0.00002   0.00371   0.00049   0.00420   2.00001
   D220      -2.26670   0.00003   0.00327   0.00075   0.00402  -2.26268
   D221       1.79620   0.00003   0.00393   0.00122   0.00515   1.80135
   D222      -2.90058   0.00000   0.00113  -0.00022   0.00093  -2.89965
   D223       1.16233   0.00000   0.00178   0.00025   0.00205   1.16438
   D224       3.05436  -0.00002   0.00122  -0.00025   0.00101   3.05536
   D225       0.83408  -0.00002   0.00188   0.00022   0.00213   0.83621
   D226      -2.71010   0.00000  -0.00002  -0.00029  -0.00031  -2.71041
   D227       1.35281   0.00000   0.00064   0.00018   0.00081   1.35362
   D228      -2.65510   0.00000  -0.00120  -0.00021  -0.00141  -2.65651
   D229       1.40781   0.00001  -0.00055   0.00026  -0.00029   1.40752
   D230      -1.55595  -0.00001   0.00016  -0.00047  -0.00032  -1.55627
   D231       2.50696  -0.00001   0.00081   0.00000   0.00081   2.50777
   D232       0.01772   0.00002  -0.01047  -0.00151  -0.01199   0.00574
   D233      -2.20255   0.00002  -0.00982  -0.00104  -0.01086  -2.21342
   D234      -0.15555  -0.00003  -0.00812  -0.00119  -0.00931  -0.16486
   D235      -2.37583  -0.00003  -0.00747  -0.00072  -0.00818  -2.38401
   D236       0.08565  -0.00003  -0.00467  -0.00085  -0.00555   0.08009
   D237      -2.13463  -0.00003  -0.00401  -0.00038  -0.00443  -2.13906
   D238      -0.00641   0.00000  -0.01176  -0.00117  -0.01287  -0.01928
   D239      -2.22669   0.00000  -0.01110  -0.00070  -0.01174  -2.23843
   D240      -0.56048  -0.00005  -0.00703  -0.00126  -0.00831  -0.56879
   D241      -2.78076  -0.00005  -0.00638  -0.00079  -0.00718  -2.78794
   D242      -0.76385  -0.00003  -0.00515  -0.00098  -0.00612  -0.76998
   D243      -2.98413  -0.00003  -0.00449  -0.00051  -0.00500  -2.98913
   D244      -2.89770   0.00001  -0.00022  -0.00002  -0.00026  -2.89795
   D245       0.01687   0.00002   0.00012  -0.00020  -0.00010   0.01677
   D246      -3.11209   0.00001   0.00062   0.00011   0.00073  -3.11137
   D247      -0.19752   0.00001   0.00095  -0.00007   0.00088  -0.19664
   D248       2.76730   0.00000   0.00074   0.00023   0.00097   2.76827
   D249      -0.60132   0.00000   0.00108   0.00005   0.00113  -0.60019
   D250       2.52996  -0.00001   0.00036   0.00015   0.00051   2.53046
   D251      -0.83866   0.00000   0.00070  -0.00003   0.00067  -0.83800
   D252      -2.90850   0.00002   0.00214   0.00030   0.00244  -2.90607
   D253       0.00606   0.00002   0.00248   0.00012   0.00260   0.00866
   D254      -3.07870   0.00002   0.00338   0.00040   0.00378  -3.07492
   D255      -0.16413   0.00002   0.00372   0.00022   0.00394  -0.16019
   D256      -0.65801   0.00001   0.00133   0.00025   0.00159  -0.65642
   D257       2.25655   0.00001   0.00166   0.00008   0.00175   2.25830
   D258      -0.91808   0.00001   0.00220   0.00030   0.00251  -0.91558
   D259       1.99648   0.00001   0.00254   0.00012   0.00267   1.99915
   D260      -0.76851   0.00001   0.00342   0.00029   0.00372  -0.76479
   D261       2.14606   0.00001   0.00376   0.00012   0.00387   2.14994
   D262      -0.98715   0.00001   0.00271   0.00050   0.00321  -0.98394
   D263       1.92742   0.00001   0.00305   0.00032   0.00337   1.93079
   D264      -1.32438   0.00000   0.00232   0.00022   0.00256  -1.32182
   D265       1.59019   0.00001   0.00266   0.00004   0.00272   1.59291
   D266      -1.56980  -0.00001   0.00296   0.00025   0.00324  -1.56656
   D267       1.34476   0.00000   0.00330   0.00008   0.00340   1.34816
   D268       1.98101   0.00001   0.00120   0.00014   0.00135   1.98236
   D269      -1.38761   0.00001   0.00154  -0.00003   0.00151  -1.38610
   D270       0.86412  -0.00001   0.00130   0.00004   0.00134   0.86546
   D271      -2.50449   0.00000   0.00164  -0.00013   0.00150  -2.50300
   D272       1.16897   0.00000  -0.02029  -0.00272  -0.02304   1.14593
   D273      -2.19965   0.00000  -0.01995  -0.00289  -0.02288  -2.22253
   D274       1.21049  -0.00006  -0.01051  -0.00132  -0.01182   1.19867
   D275      -2.15813  -0.00005  -0.01018  -0.00149  -0.01166  -2.16979
   D276       1.61325  -0.00004  -0.00491  -0.00068  -0.00563   1.60761
   D277      -1.75537  -0.00003  -0.00457  -0.00086  -0.00548  -1.76085
   D278       1.60514   0.00000  -0.00986  -0.00081  -0.01065   1.59449
   D279      -1.76348   0.00000  -0.00952  -0.00098  -0.01049  -1.77397
   D280       0.84696  -0.00005  -0.00550  -0.00073  -0.00622   0.84074
   D281      -2.52166  -0.00004  -0.00517  -0.00091  -0.00606  -2.52772
   D282       0.80010   0.00000  -0.00263  -0.00010  -0.00275   0.79734
   D283      -2.56852   0.00001  -0.00229  -0.00028  -0.00259  -2.57112
   D284       1.63438   0.00000  -0.00141  -0.00019  -0.00162   1.63276
   D285      -2.57489   0.00000   0.00062  -0.00052   0.00008  -2.57481
   D286       1.65367   0.00002   0.00159   0.00006   0.00166   1.65533
   D287      -2.55560   0.00002   0.00362  -0.00027   0.00336  -2.55224
   D288       1.31046   0.00001   0.00271   0.00024   0.00295   1.31342
   D289      -2.89880   0.00001   0.00474  -0.00009   0.00465  -2.89415
   D290       1.22976   0.00000   0.00230   0.00002   0.00232   1.23208
   D291      -2.97951   0.00000   0.00433  -0.00031   0.00402  -2.97549
   D292       2.03463   0.00002   0.00289   0.00014   0.00302   2.03765
   D293      -2.17464   0.00002   0.00492  -0.00019   0.00472  -2.16992
   D294       2.02098   0.00002   0.00417   0.00020   0.00436   2.02534
   D295      -2.18828   0.00002   0.00619  -0.00013   0.00606  -2.18222
   D296      -2.30614   0.00001   0.00123   0.00006   0.00130  -2.30484
   D297      -0.23222   0.00001   0.00325  -0.00027   0.00300  -0.22922
   D298      -2.29605   0.00001   0.00252   0.00011   0.00264  -2.29341
   D299      -0.22213   0.00001   0.00455  -0.00022   0.00434  -0.21779
   D300      -1.91313   0.00001   0.00329   0.00007   0.00336  -1.90977
   D301       0.16079   0.00001   0.00531  -0.00026   0.00505   0.16584
   D302      -1.87048   0.00002   0.00260   0.00025   0.00285  -1.86763
   D303       0.20344   0.00002   0.00462  -0.00008   0.00454   0.20799
   D304      -2.64634   0.00001   0.00346   0.00005   0.00352  -2.64282
   D305      -0.57242   0.00001   0.00549  -0.00028   0.00522  -0.56720
   D306      -2.78866   0.00000   0.00496   0.00014   0.00513  -2.78353
   D307      -0.71474   0.00000   0.00699  -0.00019   0.00683  -0.70791
   D308       1.54185  -0.00001   0.00191  -0.00025   0.00166   1.54351
   D309      -2.66741  -0.00001   0.00394  -0.00058   0.00336  -2.66405
   D310       2.63800   0.00000   0.00209  -0.00014   0.00195   2.63995
   D311      -1.57126   0.00000   0.00412  -0.00047   0.00365  -1.56761
   D312       3.01961   0.00000   0.00115  -0.00007   0.00109   3.02070
   D313      -1.18965   0.00000   0.00318  -0.00040   0.00278  -1.18687
   D314      -0.34486  -0.00001  -0.00894  -0.00161  -0.01055  -0.35541
   D315       1.72906  -0.00001  -0.00691  -0.00194  -0.00885   1.72021
   D316      -0.23194  -0.00005  -0.00711  -0.00126  -0.00835  -0.24030
   D317       1.84198  -0.00005  -0.00509  -0.00159  -0.00665   1.83532
   D318       0.17795  -0.00004  -0.00485  -0.00112  -0.00598   0.17197
   D319       2.25187  -0.00004  -0.00282  -0.00145  -0.00428   2.24759
   D320       0.31932  -0.00002  -0.00950  -0.00129  -0.01079   0.30853
   D321       2.39324  -0.00002  -0.00747  -0.00162  -0.00909   2.38415
   D322      -0.52025  -0.00004  -0.00455  -0.00090  -0.00546  -0.52571
   D323       1.55367  -0.00004  -0.00252  -0.00123  -0.00376   1.54990
   D324      -0.58066   0.00000  -0.00285  -0.00037  -0.00325  -0.58391
   D325       1.49326   0.00000  -0.00082  -0.00070  -0.00155   1.49171
   D326      -0.02637  -0.00002   0.00436   0.00000   0.00439  -0.02199
   D327       2.15372  -0.00003   0.00692  -0.00122   0.00571   2.15943
   D328       0.30743  -0.00002   0.00364  -0.00018   0.00344   0.31087
   D329       2.48753  -0.00003   0.00620  -0.00140   0.00476   2.49229
   D330       0.66628   0.00000   0.00483  -0.00008   0.00474   0.67102
   D331       2.84638  -0.00001   0.00739  -0.00130   0.00606   2.85244
   D332       0.95001   0.00000   0.00501  -0.00011   0.00491   0.95492
   D333       3.13010  -0.00001   0.00757  -0.00133   0.00623   3.13634
   D334       0.30938  -0.00004   0.00023  -0.00077  -0.00060   0.30878
   D335       2.48948  -0.00005   0.00279  -0.00199   0.00072   2.49019
   D336       0.67340  -0.00004   0.00294  -0.00048   0.00239   0.67579
   D337       2.85350  -0.00005   0.00550  -0.00170   0.00371   2.85721
   D338      -2.42670   0.00000   0.00248  -0.00014   0.00234  -2.42436
   D339      -0.24661  -0.00001   0.00504  -0.00136   0.00366  -0.24295
   D340      -2.02714   0.00000   0.00079  -0.00040   0.00039  -2.02675
   D341       0.15295  -0.00001   0.00334  -0.00162   0.00172   0.15467
   D342      -1.97584  -0.00001   0.00189  -0.00023   0.00166  -1.97418
   D343       0.20426  -0.00002   0.00445  -0.00145   0.00298   0.20724
   D344      -1.68426  -0.00001   0.00384  -0.00021   0.00365  -1.68061
   D345       0.49584  -0.00002   0.00640  -0.00143   0.00497   0.50081
   D346      -1.63670   0.00001  -0.00204  -0.00073  -0.00275  -1.63945
   D347       0.54340   0.00000   0.00052  -0.00195  -0.00143   0.54197
   D348      -1.32239   0.00001  -0.00270  -0.00083  -0.00350  -1.32590
   D349       0.85770   0.00000  -0.00014  -0.00205  -0.00218   0.85552
   D350       1.72554  -0.00002   0.00817   0.00036   0.00854   1.73408
   D351      -2.37755  -0.00003   0.01073  -0.00086   0.00986  -2.36768
   D352       2.12224  -0.00001   0.01168   0.00093   0.01264   2.13487
   D353      -1.98085  -0.00002   0.01424  -0.00029   0.01396  -1.96690
   D354       2.27038  -0.00001   0.02223   0.00232   0.02459   2.29497
   D355      -1.83271  -0.00002   0.02479   0.00109   0.02591  -1.80680
   D356       2.89641   0.00003   0.02163   0.00264   0.02425   2.92066
   D357      -1.20668   0.00002   0.02419   0.00142   0.02557  -1.18111
   D358       2.48143   0.00000   0.00737   0.00042   0.00780   2.48923
   D359      -1.62167  -0.00001   0.00993  -0.00080   0.00913  -1.61254
   D360       1.62458   0.00005  -0.00056  -0.00064  -0.00116   1.62342
   D361      -2.47851   0.00004   0.00200  -0.00186   0.00016  -2.47835
   D362       1.75012   0.00000   0.00954   0.00002   0.00952   1.75965
   D363      -2.35297  -0.00001   0.01210  -0.00120   0.01085  -2.34212
   D364       2.74286   0.00003   0.00052  -0.00077  -0.00019   2.74267
   D365      -1.36023   0.00002   0.00308  -0.00199   0.00113  -1.35910
   D366       2.71527  -0.00003   0.00091  -0.00099   0.00001   2.71528
   D367      -1.38782  -0.00004   0.00347  -0.00222   0.00133  -1.38649
   D368       0.03023  -0.00002  -0.00677   0.00034  -0.00645   0.02378
   D369      -2.78367  -0.00002   0.02595   0.00235   0.02832  -2.75535
   D370       0.42214   0.00000  -0.00508   0.00055  -0.00458   0.41756
   D371      -2.39176   0.00001   0.02764   0.00255   0.03018  -2.36157
   D372       0.59597   0.00002  -0.00266   0.00090  -0.00182   0.59415
   D373      -2.21792   0.00002   0.03007   0.00291   0.03294  -2.18498
   D374       0.87714   0.00002  -0.00330   0.00069  -0.00267   0.87447
   D375      -1.93676   0.00003   0.02943   0.00270   0.03209  -1.90466
   D376       0.70549  -0.00001  -0.00672   0.00020  -0.00655   0.69893
   D377      -2.10840   0.00000   0.02601   0.00221   0.02821  -2.08020
   D378       1.03171   0.00001  -0.00536   0.00036  -0.00502   1.02669
   D379      -1.78218   0.00001   0.02736   0.00237   0.02974  -1.75244
   D380      -2.86369   0.00003  -0.00252   0.00129  -0.00131  -2.86501
   D381       0.60560   0.00004   0.03021   0.00329   0.03345   0.63905
   D382      -2.30355   0.00003  -0.00537   0.00091  -0.00454  -2.30809
   D383       1.16574   0.00003   0.02736   0.00292   0.03022   1.19596
   D384      -1.99974   0.00000  -0.00843   0.00034  -0.00813  -2.00787
   D385       1.46955   0.00001   0.02429   0.00235   0.02663   1.49618
   D386      -1.64418   0.00000  -0.00905  -0.00003  -0.00910  -1.65328
   D387       1.82511   0.00000   0.02367   0.00198   0.02566   1.85077
   D388      -1.77425  -0.00001  -0.01331  -0.00005  -0.01332  -1.78757
   D389       1.69504   0.00000   0.01941   0.00196   0.02144   1.71648
   D390      -1.03225  -0.00007  -0.02341  -0.00180  -0.02511  -1.05736
   D391       2.43705  -0.00006   0.00931   0.00021   0.00965   2.44670
   D392       1.77270  -0.00001  -0.00712   0.00016  -0.00698   1.76572
   D393      -1.04119  -0.00001   0.02560   0.00217   0.02778  -1.01341
   D394       2.06953   0.00000  -0.00581   0.00037  -0.00545   2.06408
   D395      -0.74436   0.00000   0.02692   0.00238   0.02931  -0.71506
   D396       2.01002   0.00001  -0.00345   0.00065  -0.00279   2.00722
   D397      -0.80387   0.00002   0.02928   0.00266   0.03197  -0.77191
   D398       2.19470   0.00003  -0.00209   0.00108  -0.00100   2.19370
   D399      -0.61919   0.00003   0.03063   0.00309   0.03376  -0.58543
   D400       2.47587  -0.00001  -0.00660   0.00020  -0.00643   2.46944
   D401      -0.33803   0.00000   0.02612   0.00221   0.02833  -0.30969
   D402      -1.46131   0.00005  -0.01475  -0.00069  -0.01543  -1.47673
   D403       2.00799   0.00006   0.01797   0.00132   0.01933   2.02732
   D404      -2.56652  -0.00006  -0.01331  -0.00113  -0.01443  -2.58094
   D405       0.90277  -0.00006   0.01941   0.00088   0.02034   0.92311
   D406      -2.93523  -0.00010  -0.01231  -0.00138  -0.01364  -2.94887
   D407       0.53406  -0.00009   0.02041   0.00063   0.02113   0.55519
   D408       1.80447  -0.00002   0.00682   0.00111   0.00794   1.81241
   D409       2.29486   0.00002   0.01013   0.00158   0.01174   2.30661
   D410       2.51089   0.00003   0.01111   0.00157   0.01272   2.52361
   D411       2.75499   0.00003   0.01065   0.00137   0.01205   2.76703
   D412       2.72205   0.00007   0.01444   0.00224   0.01683   2.73889
   D413      -3.08546   0.00009   0.01753   0.00247   0.02014  -3.06532
   D414      -0.86286   0.00001   0.00736   0.00115   0.00851  -0.85435
   D415      -0.48554   0.00001   0.00689   0.00107   0.00797  -0.47757
   D416      -0.16969   0.00002   0.00740   0.00121   0.00864  -0.16105
   D417       0.13848   0.00003   0.00714   0.00113   0.00829   0.14677
   D418      -0.35714   0.00000   0.00582   0.00078   0.00661  -0.35053
   D419      -0.04172  -0.00001   0.00377   0.00048   0.00427  -0.03745
   D420      -2.65830   0.00001   0.00842   0.00114   0.00957  -2.64873
   D421      -2.27924   0.00002   0.00880   0.00124   0.01003  -2.26921
   D422      -2.04366   0.00003   0.01102   0.00149   0.01248  -2.03117
   D423      -1.72849   0.00002   0.01059   0.00145   0.01201  -1.71649
   D424      -2.05546   0.00000   0.00632   0.00096   0.00726  -2.04820
   D425       1.34360   0.00003   0.00018  -0.00017   0.00006   1.34367
   D426       2.49055  -0.00005   0.00064  -0.00041   0.00027   2.49082
   D427       2.93060  -0.00007   0.00777   0.00024   0.00790   2.93849
   D428      -3.07986   0.00007   0.00434   0.00107   0.00542  -3.07444
   D429       0.02717   0.00000  -0.00167  -0.00006  -0.00172   0.02545
   D430       0.04076  -0.00014   0.00223   0.00062   0.00284   0.04360
   D431      -3.13540  -0.00020  -0.00378  -0.00052  -0.00430  -3.13970
   D432      -0.00913  -0.00006  -0.00925  -0.00188  -0.01112  -0.02025
   D433       2.08478  -0.00006  -0.00941  -0.00171  -0.01111   2.07367
   D434      -2.11376  -0.00003  -0.00884  -0.00120  -0.01003  -2.12379
   D435      -3.11781   0.00000  -0.00353  -0.00079  -0.00433  -3.12214
   D436      -1.02390   0.00000  -0.00369  -0.00063  -0.00432  -1.02821
   D437       1.06074   0.00003  -0.00312  -0.00012  -0.00323   1.05751
   D438      -2.36892   0.00006   0.00930   0.00120   0.01051  -2.35841
   D439      -0.27705   0.00000   0.00910   0.00108   0.01018  -0.26687
   D440       1.82973   0.00004   0.00926   0.00115   0.01040   1.84013
   D441       0.73974   0.00000   0.00356   0.00012   0.00368   0.74342
   D442       2.83161  -0.00006   0.00336  -0.00001   0.00335   2.83497
   D443      -1.34479  -0.00002   0.00352   0.00006   0.00357  -1.34122
   D444      -0.01204   0.00001   0.00036  -0.00018   0.00019  -0.01186
   D445       3.12087   0.00001   0.00007  -0.00035  -0.00027   3.12060
   D446      -3.13254   0.00001   0.00038  -0.00032   0.00006  -3.13248
   D447       0.00037   0.00001   0.00009  -0.00049  -0.00040  -0.00003
   D448       2.45799  -0.00001   0.00626  -0.00067   0.00559   2.46358
   D449      -1.73922  -0.00001   0.00652  -0.00078   0.00574  -1.73348
   D450       0.36901  -0.00003   0.00707  -0.00063   0.00644   0.37545
   D451      -0.67534  -0.00001   0.00654  -0.00051   0.00603  -0.66931
   D452       1.41064  -0.00001   0.00680  -0.00062   0.00618   1.41681
   D453      -2.76432  -0.00002   0.00735  -0.00047   0.00688  -2.75745
   D454       2.06941  -0.00001  -0.00330   0.00011  -0.00319   2.06622
   D455      -2.12828   0.00001  -0.00315   0.00015  -0.00302  -2.13130
   D456      -0.03483   0.00000  -0.00342   0.00012  -0.00330  -0.03813
   D457      -1.08046  -0.00001  -0.00358  -0.00005  -0.00363  -1.08409
   D458       1.00504   0.00001  -0.00343  -0.00002  -0.00346   1.00158
   D459       3.09848   0.00000  -0.00369  -0.00004  -0.00374   3.09475
   D460      -3.06739  -0.00006  -0.00195  -0.00067  -0.00262  -3.07001
   D461      -0.02729  -0.00003   0.00260   0.00005   0.00265  -0.02464
   D462       0.08705   0.00001  -0.00143  -0.00021  -0.00164   0.08541
   D463       3.12716   0.00003   0.00313   0.00050   0.00363   3.13078
   D464       1.91779  -0.00001   0.00502   0.00056   0.00559   1.92337
   D465      -2.28288   0.00002   0.00557   0.00056   0.00613  -2.27675
   D466      -0.18980   0.00001   0.00566   0.00062   0.00628  -0.18352
   D467      -1.12615  -0.00003   0.00074  -0.00013   0.00060  -1.12555
   D468       0.95637   0.00000   0.00128  -0.00013   0.00114   0.95751
   D469       3.04945  -0.00002   0.00137  -0.00007   0.00130   3.05074
   D470      -1.59028  -0.00004   0.00480  -0.00151   0.00328  -1.58700
   D471       0.51438  -0.00006   0.00399  -0.00139   0.00260   0.51698
   D472       2.60308  -0.00004   0.00399  -0.00136   0.00263   2.60571
   D473       1.45412  -0.00002   0.00915  -0.00083   0.00832   1.46244
   D474      -2.72440  -0.00003   0.00834  -0.00071   0.00763  -2.71676
   D475      -0.63570  -0.00002   0.00834  -0.00067   0.00766  -0.62803
   D476       0.01488   0.00006   0.00212   0.00045   0.00257   0.01745
   D477      -3.10094   0.00013   0.00904  -0.00066   0.00834  -3.09260
   D478       3.13549  -0.00008   0.00498  -0.00375   0.00128   3.13676
   D479       0.01967  -0.00001   0.01190  -0.00485   0.00705   0.02672
   D480      -0.20086   0.00001  -0.03001  -0.00499  -0.03495  -0.23581
   D481       1.90638  -0.00005  -0.02931  -0.00476  -0.03417   1.87221
   D482      -2.29876   0.00000  -0.02579  -0.00487  -0.03070  -2.32946
   D483       2.91611  -0.00004  -0.03659  -0.00391  -0.04039   2.87573
   D484      -1.25984  -0.00011  -0.03589  -0.00369  -0.03961  -1.29945
   D485       0.81821  -0.00005  -0.03237  -0.00380  -0.03614   0.78207
   D486       0.00121  -0.00004   0.00133  -0.00052   0.00082   0.00203
   D487       2.09244   0.00003   0.00128   0.00024   0.00163   2.09408
   D488      -2.10358  -0.00006   0.00074  -0.00076   0.00007  -2.10351
   D489      -3.11597   0.00002   0.00791  -0.00158   0.00632  -3.10965
   D490      -1.02473   0.00010   0.00786  -0.00082   0.00713  -1.01760
   D491       1.06243   0.00001   0.00732  -0.00181   0.00556   1.06799
         Item               Value     Threshold  Converged?
 Maximum Force            0.000219     0.000450     YES
 RMS     Force            0.000033     0.000300     YES
 Maximum Displacement     0.080549     0.001800     NO 
 RMS     Displacement     0.007435     0.001200     NO 
 Predicted change in Energy=-1.742114D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:00:44 2016, MaxMem=  2952790016 cpu:         7.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.870430   -0.614348    1.688292
      2          6           0       -2.142007    1.006836   -1.427012
      3          8           0       -2.600846    0.024105   -2.033753
      4          7           0       -0.878411    1.113250   -0.931173
      5          1           0       -2.757337    1.903510   -1.211950
      6          6           0       -0.454582    2.280528   -0.156960
      7          1           0       -1.285318    2.995987   -0.085898
      8          1           0       -0.157242    1.965476    0.856462
      9          1           0        0.408321    2.766219   -0.641302
     10          6           0        0.107768    0.044054   -1.101522
     11          1           0        0.628871   -0.126679   -0.146752
     12          1           0       -0.404379   -0.877074   -1.408854
     13          1           0        0.853351    0.325353   -1.863622
     14          6           0       -1.966932   -4.049895    2.616999
     15          8           0       -2.128427   -3.897447    3.840033
     16          7           0       -2.883172   -3.751128    1.656812
     17          1           0       -1.019609   -4.437182    2.192686
     18          6           0       -4.203148   -3.213192    1.996660
     19          1           0       -4.476341   -2.449024    1.252118
     20          1           0       -4.964874   -4.010516    1.984077
     21          1           0       -4.166012   -2.757027    2.994780
     22          6           0       -2.596886   -3.939715    0.234522
     23          1           0       -3.297359   -4.671127   -0.200957
     24          1           0       -2.713179   -2.981414   -0.298397
     25          1           0       -1.566269   -4.300100    0.109407
     26          6           0        1.534404    0.362236    2.616791
     27          8           0        1.379730    1.377700    3.316027
     28          7           0        1.139649   -0.895341    2.954764
     29          1           0        2.012260    0.402777    1.618031
     30          6           0        1.442950   -2.047574    2.105337
     31          1           0        2.189278   -2.698000    2.591825
     32          1           0        0.527939   -2.637070    1.935881
     33          1           0        1.832973   -1.699290    1.139180
     34          6           0        0.497190   -1.164778    4.244355
     35          1           0        1.247307   -1.429252    5.009077
     36          1           0       -0.052864   -0.271764    4.568385
     37          1           0       -0.201314   -2.005308    4.124526
     38          6           0       -4.518846    1.390637    2.878127
     39          8           0       -4.703876    2.057606    1.846008
     40          7           0       -3.436373    1.480164    3.697825
     41          1           0       -5.240987    0.620666    3.217375
     42          6           0       -2.347793    2.426040    3.443520
     43          1           0       -2.441153    2.820689    2.424290
     44          1           0       -2.385046    3.254951    4.170096
     45          1           0       -1.382578    1.907348    3.552139
     46          6           0       -3.283472    0.605417    4.860210
     47          1           0       -4.143333   -0.076112    4.925298
     48          1           0       -2.358555    0.013492    4.759544
     49          1           0       -3.218268    1.205446    5.782592
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.522373   0.000000
     3  O    3.846395   1.242750   0.000000
     4  N    3.290941   1.361563   2.317046   0.000000
     5  H    3.941779   1.108561   2.057186   2.057598   0.000000
     6  C    3.713474   2.466319   3.635966   1.463412   2.560826
     7  H    4.065050   2.547396   3.789041   2.103511   2.151357
     8  H    3.206625   3.173726   4.253641   2.107609   3.323050
     9  H    4.695524   3.196395   4.302696   2.114713   3.330359
    10  C    3.482789   2.468679   2.864619   1.464496   3.417396
    11  H    3.138744   3.256023   3.743606   2.103483   4.089343
    12  H    3.436661   2.562966   2.455014   2.101018   3.647853
    13  H    4.573632   3.102775   3.471479   2.118783   3.994036
    14  C    3.560167   6.477283   6.215208   6.358653   7.122403
    15  O    3.933864   7.196800   7.078355   7.030934   7.718106
    16  N    3.296366   5.718174   5.287000   5.863353   6.341969
    17  H    3.948717   6.633198   6.345564   6.370693   7.403758
    18  C    3.505804   5.811925   5.412181   6.192268   6.210169
    19  H    3.216684   4.956795   4.520045   5.513770   5.288777
    20  H    4.604023   6.691631   6.165205   7.172924   7.075557
    21  H    3.401129   6.149431   5.955719   6.418759   6.434403
    22  C    3.701249   5.237936   4.566942   5.463008   6.021736
    23  H    4.697110   5.922610   5.088170   6.312174   6.673798
    24  H    3.203149   4.184035   3.472352   4.531341   4.969811
    25  H    4.021214   5.554784   4.935812   5.555206   6.453636
    26  C    3.661792   5.503076   6.232350   4.355886   5.954311
    27  O    4.145035   5.919171   6.804216   4.817452   6.155841
    28  N    3.277725   5.795472   6.302538   4.817417   6.354649
    29  H    4.014319   5.186049   5.895732   3.919080   5.745437
    30  C    3.634081   5.887174   6.146235   4.959830   6.652658
    31  H    4.651795   6.974015   7.193825   6.028918   7.753167
    32  H    3.147201   5.631670   5.712193   4.925720   6.427966
    33  H    3.897924   5.450589   5.718072   4.421352   6.291179
    34  C    3.527330   6.621606   7.101121   5.819603   7.055325
    35  H    4.627306   7.671063   8.156101   6.802173   8.114533
    36  H    3.422842   6.476428   7.082936   5.731050   6.742275
    37  H    3.264346   6.607486   6.913803   5.978625   7.091551
    38  C    3.528425   4.932635   5.447265   5.276407   4.482709
    39  O    3.897773   4.287184   4.859054   4.820655   3.628204
    40  N    3.298088   5.306918   5.972370   5.301454   4.974556
    41  H    3.901796   5.596708   5.907671   6.040294   5.237664
    42  C    3.542974   5.077260   5.986138   4.797962   4.702570
    43  H    3.559059   4.267562   5.265029   4.076352   3.763434
    44  H    4.625544   6.036614   6.998048   5.734089   5.561601
    45  H    3.173464   5.116600   6.019383   4.580923   4.958479
    46  C    3.680432   6.402597   6.952024   6.291449   6.231613
    47  H    3.991741   6.747587   7.128654   6.809739   6.595885
    48  H    3.172545   6.269537   6.797625   5.982019   6.276140
    49  H    4.678847   7.292199   7.929188   7.110419   7.044385
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098660   0.000000
     8  H    1.102132   1.795147   0.000000
     9  H    1.102308   1.797131   1.790070   0.000000
    10  C    2.492038   3.418492   2.756047   2.777106   0.000000
    11  H    2.639815   3.663177   2.449802   2.943142   1.101038
    12  H    3.397088   4.186510   3.643189   3.810932   1.097826
    13  H    2.906216   3.855708   3.333191   2.765853   1.102642
    14  C    7.075048   7.577249   6.523738   7.919455   5.906961
    15  O    7.546197   7.977669   6.867396   8.421514   6.704846
    16  N    6.750459   7.149388   6.383637   7.654481   5.563949
    17  H    7.139169   7.779110   6.597212   7.871434   5.674880
    18  C    6.990765   7.169707   6.669934   7.998616   6.228353
    19  H    6.366217   6.451439   6.188616   7.392139   5.724431
    20  H    8.031439   8.180160   7.752246   9.038140   7.189725
    21  H    7.006079   7.133452   6.553218   8.040638   6.549117
    22  C    6.590459   7.065893   6.419498   7.400533   4.997057
    23  H    7.510581   7.927559   7.417747   8.321063   5.885477
    24  H    5.727941   6.149249   5.686672   6.549552   4.213811
    25  H    6.679182   7.304106   6.465361   7.375326   4.810449
    26  C    3.915304   4.710839   2.920753   4.202662   3.995295
    27  O    4.030067   4.614589   2.959260   4.304890   4.786568
    28  N    4.723404   5.501683   3.777442   5.183971   4.289603
    29  H    3.572373   4.527928   2.780063   3.641849   3.339422
    30  C    5.239378   6.138604   4.497207   5.638004   4.054819
    31  H    6.271488   7.187802   5.501422   6.594135   5.048995
    32  H    5.433977   6.253545   4.776824   5.987630   4.073179
    33  H    4.769889   5.768031   4.179880   5.014033   3.322097
    34  C    5.669884   6.264215   4.658818   6.271386   5.494663
    35  H    6.583831   7.208030   5.544470   7.087501   6.388161
    36  H    5.385579   5.818891   4.335263   6.048378   5.680967
    37  H    6.063304   6.626891   5.142889   6.771429   5.622009
    38  C    5.149942   4.671006   4.841607   6.209314   6.249515
    39  O    4.702986   4.037246   4.653984   5.729171   5.991180
    40  N    4.938728   4.608831   4.365956   5.938320   6.136536
    41  H    6.086950   5.674600   5.764277   7.169900   6.898879
    42  C    4.070489   3.729677   3.421038   4.939399   5.688677
    43  H    3.301680   2.769067   2.899263   4.185729   5.161207
    44  H    4.837314   4.403403   4.195953   5.584918   6.656871
    45  H    3.841595   3.798672   2.961671   4.640035   5.229680
    46  C    5.998384   5.845634   5.258618   6.968862   6.881706
    47  H    6.707458   6.535911   6.050820   7.731975   7.376236
    48  H    5.739040   5.790114   4.887747   6.663501   6.358913
    49  H    6.638677   6.432846   5.849297   7.540197   7.733199
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795438   0.000000
    13  H    1.789516   1.798480   0.000000
    14  C    5.456018   5.358717   6.868242   0.000000
    15  O    6.141322   6.296491   7.697709   1.243034   0.000000
    16  N    5.359471   4.878823   6.555361   1.360409   2.314627
    17  H    5.174060   5.101369   6.530188   1.107905   2.057800
    18  C    6.121209   5.611205   7.279510   2.466891   2.858443
    19  H    5.780426   5.112013   6.768354   3.274572   3.782583
    20  H    7.135447   6.490651   8.213178   3.064278   3.391576
    21  H    6.307048   6.089014   7.635387   2.578794   2.483297
    22  C    5.009004   4.109445   5.873427   2.466815   3.636062
    23  H    6.005850   4.921706   6.705048   3.177553   4.277217
    24  H    4.397932   3.315406   5.109283   3.193441   4.278744
    25  H    4.722468   3.920741   5.580522   2.551695   3.794169
    26  C    2.948932   4.636872   4.532030   5.632606   5.749570
    27  O    3.849388   5.530962   5.311617   6.414638   6.356802
    28  N    3.235913   4.628770   4.978846   4.440286   4.525115
    29  H    2.304028   4.079239   3.670282   6.054601   6.369812
    30  C    3.069929   4.139109   4.661657   3.987278   4.380175
    31  H    4.067722   5.103749   5.547646   4.370622   4.651803
    32  H    3.263374   3.892821   4.828879   2.946927   3.502945
    33  H    2.361480   3.489163   3.751755   4.706226   5.274390
    34  C    4.514068   5.731873   6.297200   4.128449   3.811145
    35  H    5.353665   6.650022   7.104072   4.787603   4.342146
    36  H    4.766375   6.018085   6.522921   4.663244   4.240759
    37  H    4.739438   5.650879   6.511698   3.093604   2.715676
    38  C    6.160449   6.359996   7.244274   6.014967   5.882448
    39  O    6.097572   6.139393   6.902523   6.736977   6.787616
    40  N    5.821420   6.389658   7.117936   5.823143   5.536212
    41  H    6.806696   6.858425   7.940069   5.735331   5.521692
    42  C    5.316668   6.183280   6.544155   6.539566   6.339703
    43  H    4.972151   5.702183   5.955388   6.889626   6.872807
    44  H    6.257339   7.219512   7.448188   7.479819   7.164607
    45  H    4.676001   5.772462   6.068983   6.058440   5.859592
    46  C    6.396254   7.056069   7.899472   5.332654   4.759272
    47  H    6.964351   7.398837   8.439044   5.084871   4.454239
    48  H    5.745965   6.531542   7.367491   4.610313   4.024166
    49  H    7.192507   7.998234   8.707309   6.261424   5.567837
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056866   0.000000
    18  C    1.465336   3.416358   0.000000
    19  H    2.097008   4.097126   1.101331   0.000000
    20  H    2.123174   3.973749   1.102773   1.792396   0.000000
    21  H    2.103348   3.655972   1.098048   1.796675   1.797481
    22  C    1.463022   2.563139   2.492597   2.605765   2.945050
    23  H    2.114062   3.312462   2.788467   2.905025   2.826904
    24  H    2.108128   3.345584   2.746092   2.407547   3.367324
    25  H    2.104772   2.158166   3.419975   3.633290   3.892141
    26  C    6.111980   5.453189   6.788797   6.774553   7.858874
    27  O    6.872424   6.389960   7.347486   7.293635   8.429767
    28  N    5.101303   4.217559   5.902193   6.070608   6.921832
    29  H    6.420411   5.740006   7.200687   7.097084   8.263870
    30  C    4.671039   3.432500   5.766186   5.993926   6.702839
    31  H    5.264321   3.671651   6.440711   6.803476   7.298900
    32  H    3.599261   2.387731   4.766424   5.054277   5.662126
    33  H    5.169139   4.091840   6.281873   6.354707   7.229546
    34  C    4.981108   4.149538   5.598332   5.944644   6.560582
    35  H    5.804278   4.703043   6.478006   6.922053   7.375957
    36  H    5.347324   4.891754   5.700056   5.941821   6.692142
    37  H    4.041023   3.211795   4.690573   5.169475   5.594094
    38  C    5.532159   6.832127   4.698073   4.169976   5.492787
    39  O    6.090333   7.475044   5.296673   4.551285   6.075302
    40  N    5.642533   6.566672   5.050693   4.743578   5.951539
    41  H    5.206461   6.667222   4.155204   3.724233   4.800532
    42  C    6.452625   7.101583   6.110376   5.753191   7.099883
    43  H    6.631228   7.399400   6.300414   5.769389   7.295774
    44  H    7.459884   8.058752   7.061600   6.739691   8.013813
    45  H    6.153243   6.498686   6.049385   5.817168   7.093150
    46  C    5.422313   6.137472   4.860813   4.875538   5.692635
    47  H    5.077081   6.020279   4.292059   4.385642   4.980487
    48  H    4.906581   5.309430   4.631149   4.780276   5.539744
    49  H    6.457707   7.039942   5.901494   5.955090   6.684730
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388204   0.000000
    23  H    3.825059   1.102392   0.000000
    24  H    3.606396   1.102663   1.790500   0.000000
    25  H    4.179129   1.098956   1.797404   1.794614   0.000000
    26  C    6.509026   6.422581   7.524652   6.141684   6.135025
    27  O    6.924913   7.320112   8.416214   6.986977   7.155329
    28  N    5.622945   5.534403   6.625872   5.457017   5.197156
    29  H    7.074661   6.481941   7.566061   6.120066   6.099087
    30  C    5.723188   4.837398   5.888341   4.891155   4.255938
    31  H    6.368325   5.477782   6.464986   5.698051   4.778415
    32  H    4.813401   3.788936   4.830774   3.951635   3.238423
    33  H    6.367878   5.045945   6.078494   4.937404   4.402214
    34  C    5.083518   5.775149   6.815710   5.851772   5.584435
    35  H    5.926584   6.623942   7.635980   6.801760   6.337566
    36  H    5.056753   6.221598   7.254500   6.172929   6.196804
    37  H    4.190494   4.961132   5.949949   5.179237   4.821862
    38  C    4.164278   6.252617   6.907805   5.697857   6.983409
    39  O    4.978922   6.557755   7.172462   5.826927   7.299369
    40  N    4.356653   6.486470   7.284107   6.033116   7.055883
    41  H    3.551609   6.056876   6.592856   5.632535   6.883092
    42  C    5.511032   7.133200   8.034530   6.586047   7.547719
    43  H    5.866132   7.107911   7.984505   6.414938   7.538551
    44  H    6.379426   8.203464   9.097314   7.679020   8.616170
    45  H    5.460269   6.831490   7.812070   6.363735   7.100602
    46  C    3.945216   6.521243   7.311465   6.308869   7.041521
    47  H    3.303743   6.270749   6.936017   6.145984   6.904791
    48  H    3.749276   6.013357   6.887204   5.888802   6.392071
    49  H    4.936730   7.592092   8.387087   7.400226   8.076210
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242587   0.000000
    28  N    1.360719   2.314058   0.000000
    29  H    1.107931   2.057610   2.057526   0.000000
    30  C    2.465184   3.633492   1.463270   2.562381   0.000000
    31  H    3.129621   4.217958   2.117316   3.254908   1.103055
    32  H    3.236116   4.329980   2.108538   3.397780   1.101575
    33  H    2.553893   3.796309   2.103183   2.163361   1.098580
    34  C    2.461006   2.846904   1.465741   3.413245   2.499838
    35  H    3.002480   3.280691   2.125289   3.929463   2.975282
    36  H    2.594243   2.518225   2.101121   3.663923   3.384903
    37  H    3.300189   3.820748   2.097272   4.120837   2.604326
    38  C    6.145546   5.914823   6.103289   6.724511   6.925424
    39  O    6.510340   6.295514   6.640483   6.920759   7.396162
    40  N    5.208361   4.832300   5.209140   5.930759   6.228061
    41  H    6.806865   6.664588   6.563517   7.430677   7.282249
    42  C    4.473726   3.874236   4.840734   5.141601   6.014457
    43  H    4.678258   4.180498   5.187718   5.131202   6.236022
    44  H    5.112987   4.292673   5.579016   5.829599   6.858101
    45  H    3.430893   2.822521   3.817532   4.186816   5.071316
    46  C    5.320150   4.972562   5.044501   6.212693   6.080028
    47  H    6.144758   5.933595   5.697722   7.004189   6.560899
    48  H    4.457370   4.233153   4.039882   5.396728   5.073879
    49  H    5.772451   5.220651   5.603691   6.733963   6.769881
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787182   0.000000
    33  H    1.798486   1.793677   0.000000
    34  C    2.818650   2.738182   3.422299   0.000000
    35  H    2.887930   3.379474   3.923267   1.103368   0.000000
    36  H    3.849755   3.586375   4.165772   1.097738   1.795671
    37  H    2.922999   2.391882   3.625501   1.099435   1.792420
    38  C    7.861160   6.525357   7.274420   5.792870   6.763227
    39  O    8.407592   7.029932   7.572600   6.571676   7.588133
    40  N    7.094240   5.980956   6.664953   4.771513   5.667534
    41  H    8.161721   6.748006   7.729295   6.096653   7.036357
    42  C    6.896824   6.014806   6.309290   4.650725   5.498999
    43  H    7.205893   6.232270   6.352155   5.275457   6.192565
    44  H    7.671571   6.942125   7.177927   5.277007   5.986621
    45  H    5.906741   5.187880   5.400923   3.667512   4.491310
    46  C    6.783002   5.795884   6.733182   4.219748   4.968902
    47  H    7.240259   6.108674   7.258487   4.814907   5.558507
    48  H    5.721362   4.830155   5.797376   3.131936   3.891789
    49  H    7.393202   6.602740   7.450758   4.667843   5.242263
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795612   0.000000
    38  C    5.056238   5.632676   0.000000
    39  O    5.871049   6.478579   1.242721   0.000000
    40  N    3.908358   4.774536   1.360760   2.317160   0.000000
    41  H    5.434913   5.754735   1.108798   2.057653   2.055773
    42  C    3.716204   4.970713   2.470870   2.870351   1.464363
    43  H    4.456942   5.585511   2.562777   2.456953   2.099848
    44  H    4.246813   5.695707   3.114154   3.494566   2.116175
    45  H    2.747621   4.126971   3.249225   3.736908   2.102804
    46  C    3.360273   4.105705   2.464016   3.634807   1.462772
    47  H    4.110669   4.461227   2.546227   3.788006   2.104395
    48  H    2.331121   3.022002   3.178540   4.262350   2.107146
    49  H    3.698138   4.707455   3.187745   4.293006   2.114070
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417761   0.000000
    43  H    3.648035   1.096947   0.000000
    44  H    4.000442   1.102902   1.799880   0.000000
    45  H    4.081046   1.101127   1.796334   1.789650   0.000000
    46  C    2.555584   2.489413   3.398623   2.881572   2.649429
    47  H    2.146473   3.417660   4.188545   3.841599   3.666258
    48  H    3.324960   2.748167   3.652476   3.294723   2.448887
    49  H    3.318690   2.778279   3.806718   2.737676   2.972767
                   46         47         48         49
    46  C    0.000000
    47  H    1.099127   0.000000
    48  H    1.102714   1.794696   0.000000
    49  H    1.102304   1.798079   1.790666   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2136267      0.1899752      0.1861978
 Leave Link  202 at Mon Nov 14 01:00:44 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.4105062583 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842388766 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.2262673817 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4052
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.13D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     227
 GePol: Fraction of low-weight points (<1% of avg)   =       5.60%
 GePol: Cavity surface area                          =    466.054 Ang**2
 GePol: Cavity volume                                =    458.032 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039600729 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.2223073088 Hartrees.
 Leave Link  301 at Mon Nov 14 01:00:44 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11975 LenP2D=   37505.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:00:45 2016, MaxMem=  2952790016 cpu:        15.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:00:46 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000599    0.006717   -0.001215
         Rot=    1.000000   -0.000229   -0.000061   -0.000312 Ang=  -0.04 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50896785911    
 Leave Link  401 at Mon Nov 14 01:00:52 2016, MaxMem=  2952790016 cpu:        79.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49256112.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.44D-15 for   2408.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.23D-15 for   2200    758.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.21D-15 for   3757.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.40D-10 for   2621   2123.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.55D-15 for    311.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.20D-14 for   1891    984.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.44D-15 for   1866.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.84D-16 for   1857    963.
 E= -1013.45057027587    
 DIIS: error= 5.20D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45057027587     IErMin= 1 ErrMin= 5.20D-04
 ErrMax= 5.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-04 BMatP= 2.94D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.20D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=9.98D-05 MaxDP=4.25D-03              OVMax= 4.96D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.98D-05    CP:  1.00D+00
 E= -1013.45108227226     Delta-E=       -0.000511996383 Rises=F Damp=F
 DIIS: error= 4.98D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45108227226     IErMin= 2 ErrMin= 4.98D-05
 ErrMax= 4.98D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.61D-06 BMatP= 2.94D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-01 0.983D+00
 Coeff:      0.166D-01 0.983D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.40D-05 MaxDP=7.78D-04 DE=-5.12D-04 OVMax= 1.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.38D-05    CP:  1.00D+00  9.74D-01
 E= -1013.45107564157     Delta-E=        0.000006630687 Rises=F Damp=F
 DIIS: error= 1.28D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45108227226     IErMin= 2 ErrMin= 4.98D-05
 ErrMax= 1.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-05 BMatP= 3.61D-06
 IDIUse=3 WtCom= 4.70D-01 WtEn= 5.30D-01
 Coeff-Com:  0.211D-02 0.657D+00 0.341D+00
 Coeff-En:   0.000D+00 0.729D+00 0.271D+00
 Coeff:      0.990D-03 0.695D+00 0.304D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.08D-06 MaxDP=6.58D-04 DE= 6.63D-06 OVMax= 9.69D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.00D-06    CP:  1.00D+00  9.80D-01  4.54D-01
 E= -1013.45108502441     Delta-E=       -0.000009382841 Rises=F Damp=F
 DIIS: error= 3.43D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45108502441     IErMin= 4 ErrMin= 3.43D-05
 ErrMax= 3.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.45D-07 BMatP= 3.61D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.864D-05 0.305D+00 0.188D+00 0.507D+00
 Coeff:      0.864D-05 0.305D+00 0.188D+00 0.507D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.73D-06 MaxDP=1.36D-04 DE=-9.38D-06 OVMax= 2.80D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.65D-06    CP:  1.00D+00  9.84D-01  4.45D-01  5.72D-01
 E= -1013.45108537701     Delta-E=       -0.000000352599 Rises=F Damp=F
 DIIS: error= 2.50D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45108537701     IErMin= 5 ErrMin= 2.50D-05
 ErrMax= 2.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-07 BMatP= 5.45D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.419D-04 0.154D+00 0.102D+00 0.364D+00 0.381D+00
 Coeff:     -0.419D-04 0.154D+00 0.102D+00 0.364D+00 0.381D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.42D-07 MaxDP=5.37D-05 DE=-3.53D-07 OVMax= 9.12D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.18D-07    CP:  1.00D+00  9.84D-01  4.36D-01  6.15D-01  5.49D-01
 E= -1013.45108551412     Delta-E=       -0.000000137108 Rises=F Damp=F
 DIIS: error= 1.15D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45108551412     IErMin= 6 ErrMin= 1.15D-06
 ErrMax= 1.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-09 BMatP= 1.60D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-04 0.515D-01 0.350D-01 0.131D+00 0.160D+00 0.623D+00
 Coeff:     -0.151D-04 0.515D-01 0.350D-01 0.131D+00 0.160D+00 0.623D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.34D-07 MaxDP=6.97D-06 DE=-1.37D-07 OVMax= 6.45D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.15D-07    CP:  1.00D+00  9.84D-01  4.39D-01  6.17D-01  5.53D-01
                    CP:  8.93D-01
 E= -1013.45108551501     Delta-E=       -0.000000000895 Rises=F Damp=F
 DIIS: error= 3.99D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45108551501     IErMin= 7 ErrMin= 3.99D-07
 ErrMax= 3.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-10 BMatP= 1.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.941D-05 0.114D-01 0.817D-02 0.316D-01 0.451D-01 0.331D+00
 Coeff-Com:  0.573D+00
 Coeff:     -0.941D-05 0.114D-01 0.817D-02 0.316D-01 0.451D-01 0.331D+00
 Coeff:      0.573D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.16D-08 MaxDP=2.24D-06 DE=-8.95D-10 OVMax= 2.14D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.03D-08    CP:  1.00D+00  9.84D-01  4.39D-01  6.18D-01  5.54D-01
                    CP:  9.02D-01  7.62D-01
 E= -1013.45108551536     Delta-E=       -0.000000000350 Rises=F Damp=F
 DIIS: error= 7.06D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45108551536     IErMin= 8 ErrMin= 7.06D-08
 ErrMax= 7.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.62D-12 BMatP= 1.99D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.379D-05 0.161D-02 0.130D-02 0.503D-02 0.869D-02 0.927D-01
 Coeff-Com:  0.224D+00 0.666D+00
 Coeff:     -0.379D-05 0.161D-02 0.130D-02 0.503D-02 0.869D-02 0.927D-01
 Coeff:      0.224D+00 0.666D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.17D-08 MaxDP=4.39D-07 DE=-3.50D-10 OVMax= 6.35D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.71D-09    CP:  1.00D+00  9.84D-01  4.39D-01  6.18D-01  5.55D-01
                    CP:  9.06D-01  7.56D-01  7.60D-01
 E= -1013.45108551529     Delta-E=        0.000000000071 Rises=F Damp=F
 DIIS: error= 6.77D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45108551536     IErMin= 9 ErrMin= 6.77D-08
 ErrMax= 6.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.01D-12 BMatP= 5.62D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.219D-05 0.565D-03 0.505D-03 0.196D-02 0.388D-02 0.492D-01
 Coeff-Com:  0.131D+00 0.476D+00 0.337D+00
 Coeff:     -0.219D-05 0.565D-03 0.505D-03 0.196D-02 0.388D-02 0.492D-01
 Coeff:      0.131D+00 0.476D+00 0.337D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.24D-09 MaxDP=3.08D-07 DE= 7.09D-11 OVMax= 4.79D-07

 Error on total polarization charges =  0.04270
 SCF Done:  E(RB97D) =  -1013.45108552     A.U. after    9 cycles
            NFock=  9  Conv=0.52D-08     -V/T= 2.0213
 KE= 9.923557153003D+02 PE=-6.025861763987D+03 EE= 2.172832655863D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.48
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:02:44 2016, MaxMem=  2952790016 cpu:      1280.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11975 LenP2D=   37505.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     363
 Leave Link  701 at Mon Nov 14 01:02:52 2016, MaxMem=  2952790016 cpu:        97.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:02:52 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:03:29 2016, MaxMem=  2952790016 cpu:       439.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.50983155D+00-2.76182347D+00 3.43542879D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000008581    0.000409177    0.000370179
      2        6          -0.000126472    0.000080071   -0.000142001
      3        8           0.000083131   -0.000004502    0.000076584
      4        7           0.000147942    0.000026149   -0.000172964
      5        1           0.000062712   -0.000035151    0.000169795
      6        6           0.000143255    0.000014855    0.000196200
      7        1           0.000053768    0.000051502   -0.000045569
      8        1           0.000018028    0.000013756   -0.000001778
      9        1          -0.000011640   -0.000015489   -0.000030898
     10        6           0.000095670   -0.000028903   -0.000051682
     11        1           0.000039809   -0.000021996    0.000007320
     12        1           0.000005658    0.000021461    0.000068959
     13        1           0.000043130    0.000025356    0.000049293
     14        6          -0.000039689    0.000041031    0.000071218
     15        8          -0.000024410   -0.000047378   -0.000047440
     16        7          -0.000090029   -0.000005453    0.000030410
     17        1          -0.000006220    0.000017455   -0.000031868
     18        6          -0.000012212    0.000130923   -0.000036607
     19        1          -0.000053973    0.000102345    0.000028071
     20        1          -0.000002628    0.000009285   -0.000078996
     21        1          -0.000079111   -0.000087107   -0.000015063
     22        6          -0.000044196    0.000014568    0.000019285
     23        1           0.000025255    0.000040753   -0.000102190
     24        1           0.000006789    0.000065168   -0.000042883
     25        1           0.000007736    0.000012156   -0.000025136
     26        6           0.000028201   -0.000040293   -0.000026943
     27        8          -0.000081876   -0.000016293    0.000033211
     28        7           0.000013728    0.000002729    0.000051146
     29        1           0.000033885   -0.000010989    0.000060094
     30        6          -0.000009619   -0.000085937    0.000027319
     31        1           0.000013234    0.000029641    0.000038429
     32        1           0.000046169    0.000052876    0.000077777
     33        1          -0.000006848    0.000001646    0.000020840
     34        6          -0.000015738   -0.000043201   -0.000025184
     35        1          -0.000034977   -0.000068635    0.000011654
     36        1           0.000070219   -0.000038324    0.000088567
     37        1          -0.000091914    0.000029702   -0.000040395
     38        6          -0.000057088    0.000173545   -0.000334394
     39        8          -0.000139877   -0.000094463    0.000094712
     40        7          -0.000143100   -0.000132468    0.000211187
     41        1           0.000046842   -0.000081975   -0.000112836
     42        6          -0.000082921   -0.000182467   -0.000217268
     43        1          -0.000006400    0.000077095    0.000067655
     44        1           0.000101620    0.000020952   -0.000025472
     45        1           0.000032171    0.000142139    0.000060787
     46        6          -0.000037799   -0.000327937   -0.000252591
     47        1           0.000029286   -0.000094055   -0.000041889
     48        1           0.000041221   -0.000098933   -0.000036584
     49        1           0.000017859   -0.000044384    0.000007939
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000409177 RMS     0.000095302
 Leave Link  716 at Mon Nov 14 01:03:29 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000265674 RMS     0.000028239
 Search for a local minimum.
 Step number  17 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .28239D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   15   16   17
 DE= -4.34D-05 DEPred=-1.74D-05 R= 2.49D+00
 TightC=F SS=  1.41D+00  RLast= 2.32D-01 DXNew= 2.2445D+00 6.9511D-01
 Trust test= 2.49D+00 RLast= 2.32D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00047   0.00124   0.00347   0.00359   0.00380
     Eigenvalues ---    0.00405   0.00539   0.00652   0.00724   0.00759
     Eigenvalues ---    0.00806   0.00865   0.00917   0.00933   0.01016
     Eigenvalues ---    0.01024   0.01054   0.01069   0.01205   0.01268
     Eigenvalues ---    0.01356   0.01367   0.01447   0.01518   0.01538
     Eigenvalues ---    0.01597   0.01640   0.01772   0.01796   0.01864
     Eigenvalues ---    0.01896   0.01946   0.02040   0.02057   0.02146
     Eigenvalues ---    0.02189   0.02271   0.02312   0.02727   0.02854
     Eigenvalues ---    0.02925   0.03224   0.03466   0.03664   0.04173
     Eigenvalues ---    0.04283   0.04462   0.04896   0.05226   0.05660
     Eigenvalues ---    0.05741   0.06055   0.06076   0.06255   0.06694
     Eigenvalues ---    0.06979   0.07261   0.07581   0.07788   0.07827
     Eigenvalues ---    0.07974   0.08142   0.08239   0.08449   0.08519
     Eigenvalues ---    0.08534   0.08670   0.08772   0.08876   0.08973
     Eigenvalues ---    0.09046   0.09138   0.09769   0.09928   0.10004
     Eigenvalues ---    0.10046   0.10115   0.10206   0.10425   0.10545
     Eigenvalues ---    0.10561   0.10586   0.10711   0.11274   0.11427
     Eigenvalues ---    0.11542   0.11655   0.11970   0.12342   0.13306
     Eigenvalues ---    0.13513   0.14470   0.14665   0.15312   0.15566
     Eigenvalues ---    0.15708   0.16473   0.22030   0.23210   0.23689
     Eigenvalues ---    0.24144   0.24591   0.25134   0.25776   0.26550
     Eigenvalues ---    0.26998   0.27891   0.28919   0.29290   0.29834
     Eigenvalues ---    0.29922   0.30092   0.32721   0.32731   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33424   0.33442   0.33503   0.33688
     Eigenvalues ---    0.33792   0.33830   0.33833   0.33891   0.33915
     Eigenvalues ---    0.33952   0.34008   0.34142   0.37225   0.39379
     Eigenvalues ---    0.40596   0.41733   0.85944   0.85988   0.86096
     Eigenvalues ---    0.87486
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    17   16   15   14   13
 RFO step:  Lambda=-3.21658179D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.09D-05 SmlDif=  1.00D-05
 RMS Error=  0.1766810103D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.82596   -1.09428    0.00722    0.14308    0.11802
 Iteration  1 RMS(Cart)=  0.00423863 RMS(Int)=  0.00010936
 Iteration  2 RMS(Cart)=  0.00005116 RMS(Int)=  0.00004494
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00004494
 ITry= 1 IFail=0 DXMaxC= 4.63D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.65632  -0.00006  -0.01715  -0.00030  -0.01747   6.63885
    R2        6.21898   0.00003  -0.00283   0.00153  -0.00130   6.21768
    R3        7.01745   0.00005   0.00045   0.00247   0.00291   7.02036
    R4        6.05964   0.00004   0.00320   0.00232   0.00552   6.06516
    R5        6.58152   0.00003  -0.00229   0.00091  -0.00138   6.58014
    R6        5.93137   0.00004  -0.00174   0.00096  -0.00078   5.93059
    R7        6.72774   0.00002   0.00067   0.00012   0.00079   6.72853
    R8        6.22923  -0.00001   0.00026   0.00007   0.00033   6.22956
    R9        6.62501   0.00003  -0.00105   0.00112   0.00008   6.62509
   R10        6.07865   0.00000   0.00066  -0.00060   0.00005   6.07871
   R11        6.99435  -0.00005  -0.00052  -0.00142  -0.00195   6.99239
   R12        6.05307  -0.00003  -0.00005  -0.00188  -0.00193   6.05114
   R13        6.91978   0.00002  -0.00448  -0.00125  -0.00572   6.91406
   R14        6.19400   0.00003   0.00084   0.00053   0.00139   6.19539
   R15        6.86742   0.00002   0.00038   0.00048   0.00088   6.86830
   R16        5.94735   0.00000  -0.00032   0.00068   0.00035   5.94770
   R17        6.66569   0.00002  -0.00017   0.00233   0.00217   6.66786
   R18        6.66776  -0.00003   0.00231   0.00073   0.00303   6.67079
   R19        6.23248  -0.00012  -0.00040  -0.00272  -0.00301   6.22947
   R20        6.69525   0.00000  -0.00545  -0.00155  -0.00675   6.68850
   R21        5.99698   0.00008   0.00978   0.00194   0.01131   6.00829
   R22        6.95501  -0.00027  -0.01133  -0.00768  -0.01890   6.93611
   R23        5.99524  -0.00016  -0.01161  -0.00576  -0.01735   5.97789
   R24        2.34846  -0.00003  -0.00005  -0.00003  -0.00008   2.34838
   R25        2.57298   0.00004   0.00033   0.00003   0.00039   2.57337
   R26        2.09488  -0.00003  -0.00018   0.00006  -0.00012   2.09475
   R27        2.76545   0.00002   0.00037   0.00006   0.00045   2.76590
   R28        2.76750   0.00000   0.00036   0.00003   0.00040   2.76789
   R29        2.07617   0.00000   0.00003   0.00001   0.00005   2.07621
   R30        2.08273   0.00000   0.00010  -0.00006   0.00006   2.08278
   R31        2.08306  -0.00002  -0.00010  -0.00002  -0.00012   2.08294
   R32        2.08066   0.00001   0.00019  -0.00002   0.00018   2.08084
   R33        2.07459  -0.00001   0.00000  -0.00004  -0.00004   2.07455
   R34        2.08369  -0.00001  -0.00012   0.00000  -0.00012   2.08357
   R35        2.34899  -0.00002   0.00001  -0.00003  -0.00002   2.34898
   R36        2.57080   0.00003   0.00004   0.00003   0.00007   2.57087
   R37        2.09364   0.00000  -0.00001   0.00002   0.00001   2.09365
   R38        2.76908   0.00001   0.00012   0.00001   0.00013   2.76921
   R39        2.76471   0.00004  -0.00014   0.00013  -0.00001   2.76470
   R40        2.08121   0.00001   0.00006  -0.00002   0.00003   2.08124
   R41        2.08394  -0.00001  -0.00002  -0.00001  -0.00004   2.08390
   R42        2.07501  -0.00001   0.00000  -0.00006  -0.00006   2.07495
   R43        2.08322   0.00000   0.00001   0.00000   0.00000   2.08322
   R44        2.08373   0.00001   0.00000  -0.00002   0.00000   2.08374
   R45        2.07673   0.00000   0.00001   0.00000   0.00002   2.07674
   R46        2.34815   0.00001   0.00002   0.00001   0.00003   2.34818
   R47        2.57139  -0.00002   0.00021  -0.00008   0.00011   2.57150
   R48        2.09369   0.00000  -0.00002  -0.00001  -0.00002   2.09366
   R49        2.76518  -0.00003   0.00010  -0.00002   0.00004   2.76522
   R50        2.76985  -0.00002   0.00000  -0.00006  -0.00007   2.76978
   R51        2.08447   0.00000  -0.00006   0.00001  -0.00005   2.08442
   R52        2.08167  -0.00005   0.00003  -0.00002  -0.00007   2.08160
   R53        2.07602   0.00000   0.00001   0.00000   0.00001   2.07603
   R54        2.08506   0.00000   0.00001   0.00000   0.00001   2.08507
   R55        2.07442  -0.00004  -0.00007  -0.00013  -0.00020   2.07422
   R56        2.07763   0.00001  -0.00005   0.00002  -0.00003   2.07761
   R57        2.34840  -0.00012   0.00041  -0.00029   0.00013   2.34853
   R58        2.57146   0.00014  -0.00020   0.00005  -0.00018   2.57129
   R59        2.09532   0.00000   0.00000   0.00003   0.00003   2.09535
   R60        2.76725   0.00012  -0.00009  -0.00008  -0.00032   2.76693
   R61        2.76424   0.00006   0.00020  -0.00017  -0.00004   2.76420
   R62        2.07293  -0.00002   0.00018   0.00014   0.00032   2.07325
   R63        2.08418  -0.00001  -0.00004  -0.00002  -0.00006   2.08412
   R64        2.08083   0.00000  -0.00050  -0.00005  -0.00070   2.08013
   R65        2.07705   0.00000   0.00000  -0.00002  -0.00001   2.07704
   R66        2.08383  -0.00005   0.00014  -0.00014   0.00010   2.08393
   R67        2.08305   0.00000   0.00008   0.00010   0.00017   2.08323
    A1        0.69371   0.00000   0.00069  -0.00015   0.00054   0.69425
    A2        0.97819   0.00000   0.00087  -0.00027   0.00059   0.97878
    A3        0.72020   0.00001   0.00124   0.00000   0.00124   0.72144
    A4        1.01550   0.00001   0.00144  -0.00007   0.00136   1.01686
    A5        2.30874   0.00001   0.00107   0.00041   0.00147   2.31021
    A6        1.98869   0.00000   0.00109   0.00039   0.00149   1.99018
    A7        1.94731  -0.00001   0.00086   0.00028   0.00114   1.94845
    A8        1.65101  -0.00001   0.00058   0.00043   0.00101   1.65201
    A9        1.62181   0.00000   0.00113   0.00029   0.00141   1.62323
   A10        1.34003  -0.00001   0.00113   0.00028   0.00140   1.34144
   A11        1.74488   0.00000   0.00028  -0.00014   0.00013   1.74501
   A12        2.03980   0.00000   0.00083  -0.00005   0.00077   2.04057
   A13        1.93190   0.00000   0.00116  -0.00001   0.00115   1.93305
   A14        2.00881   0.00001   0.00102   0.00019   0.00121   2.01002
   A15        2.44102   0.00000   0.00058  -0.00018   0.00040   2.44142
   A16        1.54963  -0.00002   0.00136   0.00044   0.00180   1.55143
   A17        1.78236   0.00001   0.00153   0.00027   0.00180   1.78416
   A18        1.60361   0.00000   0.00091  -0.00011   0.00077   1.60438
   A19        1.73714  -0.00002   0.00295   0.00006   0.00301   1.74015
   A20        2.18964   0.00004   0.00237   0.00078   0.00317   2.19282
   A21        2.42378   0.00004   0.00094   0.00012   0.00102   2.42481
   A22        0.66020   0.00000   0.00032  -0.00019   0.00014   0.66033
   A23        0.66495  -0.00001   0.00037  -0.00014   0.00023   0.66519
   A24        2.37804   0.00000   0.00011   0.00014   0.00024   2.37829
   A25        2.19512   0.00000   0.00081   0.00021   0.00101   2.19614
   A26        2.29126   0.00000   0.00137   0.00018   0.00154   2.29281
   A27        2.02160   0.00000   0.00125   0.00039   0.00163   2.02322
   A28        1.79074  -0.00001   0.00076   0.00008   0.00083   1.79157
   A29        1.54435  -0.00001   0.00107   0.00012   0.00117   1.54553
   A30        1.35056  -0.00001  -0.00065  -0.00013  -0.00077   1.34979
   A31        1.64660  -0.00001  -0.00037  -0.00011  -0.00047   1.64612
   A32        1.59434  -0.00001  -0.00031  -0.00018  -0.00049   1.59385
   A33        1.74192  -0.00001  -0.00048  -0.00006  -0.00055   1.74137
   A34        2.04471  -0.00001  -0.00042  -0.00018  -0.00060   2.04411
   A35        1.76845   0.00001   0.00355   0.00084   0.00440   1.77284
   A36        1.86996   0.00003   0.00368   0.00071   0.00439   1.87435
   A37        1.55525   0.00001   0.00280   0.00037   0.00315   1.55840
   A38        1.57480  -0.00001   0.00432   0.00045   0.00478   1.57959
   A39        2.24944   0.00006   0.00388   0.00110   0.00502   2.25446
   A40        2.36462   0.00004   0.00054  -0.00037   0.00014   2.36476
   A41        0.70445   0.00000   0.00022  -0.00020   0.00003   0.70448
   A42        0.77384  -0.00001   0.00039  -0.00023   0.00015   0.77399
   A43        2.67306   0.00000  -0.00083  -0.00017  -0.00100   2.67206
   A44        2.59483   0.00000   0.00065   0.00001   0.00066   2.59549
   A45        2.63683   0.00000   0.00172   0.00018   0.00190   2.63873
   A46        2.32695   0.00000   0.00163   0.00034   0.00197   2.32892
   A47        2.18959  -0.00001   0.00064  -0.00011   0.00053   2.19011
   A48        1.94786  -0.00001   0.00106  -0.00003   0.00101   1.94887
   A49        1.11917  -0.00001  -0.00128  -0.00025  -0.00153   1.11765
   A50        1.47936  -0.00001  -0.00097  -0.00022  -0.00119   1.47817
   A51        1.58764  -0.00001  -0.00097  -0.00038  -0.00136   1.58628
   A52        1.82303  -0.00002  -0.00111  -0.00033  -0.00147   1.82156
   A53        1.79857   0.00000  -0.00095  -0.00015  -0.00110   1.79747
   A54        1.58157   0.00002   0.00452   0.00119   0.00570   1.58727
   A55        1.55952   0.00004   0.00437   0.00101   0.00539   1.56490
   A56        1.19025   0.00002   0.00343   0.00069   0.00409   1.19434
   A57        1.17426  -0.00001   0.00450   0.00065   0.00515   1.17942
   A58        1.89260   0.00006   0.00398   0.00128   0.00528   1.89787
   A59        1.96647   0.00004   0.00041  -0.00029   0.00010   1.96657
   A60        0.84552   0.00000   0.00073  -0.00010   0.00064   0.84616
   A61        0.79248  -0.00001   0.00090  -0.00005   0.00085   0.79332
   A62        2.60317   0.00000  -0.00122  -0.00007  -0.00129   2.60188
   A63        2.75778   0.00001   0.00022  -0.00003   0.00018   2.75796
   A64        2.59928  -0.00001   0.00170   0.00017   0.00186   2.60114
   A65        2.38299   0.00000   0.00072  -0.00013   0.00058   2.38357
   A66        2.18243  -0.00001   0.00132  -0.00006   0.00125   2.18368
   A67        0.86904   0.00000  -0.00137  -0.00011  -0.00148   0.86755
   A68        1.24355  -0.00001  -0.00100  -0.00005  -0.00106   1.24249
   A69        1.43028  -0.00001  -0.00091  -0.00022  -0.00114   1.42914
   A70        1.70151  -0.00002  -0.00100  -0.00020  -0.00122   1.70028
   A71        1.52570   0.00000  -0.00105   0.00003  -0.00103   1.52467
   A72        1.60213   0.00003   0.00432   0.00107   0.00538   1.60751
   A73        1.47143   0.00004   0.00418   0.00096   0.00514   1.47657
   A74        1.05882   0.00002   0.00359   0.00077   0.00433   1.06315
   A75        0.96542  -0.00001   0.00454   0.00074   0.00528   0.97071
   A76        1.73357   0.00006   0.00331   0.00114   0.00446   1.73803
   A77        1.74580   0.00003  -0.00039  -0.00048  -0.00089   1.74492
   A78        1.98972   0.00001  -0.00059   0.00010  -0.00049   1.98924
   A79        1.92490   0.00001  -0.00012   0.00009  -0.00003   1.92486
   A80        2.20004   0.00000   0.00033   0.00000   0.00032   2.20036
   A81        2.04806   0.00001   0.00034   0.00025   0.00058   2.04864
   A82        1.53749   0.00000  -0.00002  -0.00004  -0.00007   1.53743
   A83        1.36159  -0.00001   0.00044   0.00002   0.00046   1.36205
   A84        1.18592  -0.00001   0.00022   0.00013   0.00036   1.18629
   A85        1.37362  -0.00001   0.00016   0.00009   0.00026   1.37388
   A86        1.21175  -0.00001  -0.00009  -0.00002  -0.00011   1.21163
   A87        1.31984  -0.00001  -0.00052   0.00006  -0.00047   1.31937
   A88        1.80155  -0.00001   0.00017  -0.00006   0.00011   1.80166
   A89        2.20065   0.00000   0.00376   0.00078   0.00454   2.20519
   A90        2.26230   0.00004   0.00448   0.00079   0.00527   2.26757
   A91        1.88719   0.00001   0.00395   0.00058   0.00451   1.89170
   A92        1.80588  -0.00001   0.00539   0.00068   0.00608   1.81196
   A93        2.57881   0.00005   0.00407   0.00106   0.00515   2.58395
   A94        2.54177   0.00002  -0.00047  -0.00086  -0.00132   2.54044
   A95        1.90078   0.00001  -0.00133   0.00004  -0.00129   1.89949
   A96        1.96807   0.00001  -0.00087   0.00001  -0.00086   1.96721
   A97        2.34121   0.00001  -0.00045  -0.00009  -0.00054   2.34067
   A98        2.28421   0.00002  -0.00015   0.00017   0.00002   2.28424
   A99        1.63709   0.00000  -0.00058  -0.00012  -0.00071   1.63638
   A100       1.53249   0.00000   0.00008  -0.00004   0.00004   1.53253
   A101       0.88461  -0.00001   0.00036   0.00022   0.00059   0.88520
   A102       1.05637  -0.00001  -0.00004   0.00014   0.00010   1.05647
   A103       0.93025  -0.00001  -0.00060  -0.00003  -0.00063   0.92961
   A104       1.09172  -0.00001  -0.00112   0.00000  -0.00113   1.09059
   A105       1.48412  -0.00001  -0.00002  -0.00001  -0.00003   1.48408
   A106       2.35540   0.00001   0.00491   0.00096   0.00586   2.36126
   A107       2.25962   0.00003   0.00510   0.00092   0.00602   2.26564
   A108       1.83754   0.00001   0.00471   0.00078   0.00546   1.84300
   A109       1.66845  -0.00001   0.00561   0.00079   0.00640   1.67485
   A110       2.43117   0.00004   0.00313   0.00083   0.00396   2.43513
   A111       2.28861   0.00000  -0.00108  -0.00095  -0.00201   2.28660
   A112       0.71311   0.00001   0.00005  -0.00003   0.00002   0.71313
   A113       1.00394   0.00001   0.00000  -0.00001   0.00000   1.00393
   A114       0.69218   0.00001  -0.00006   0.00010   0.00005   0.69223
   A115       0.97828   0.00002  -0.00003   0.00013   0.00011   0.97839
   A116       1.78894   0.00000  -0.00006   0.00009   0.00004   1.78898
   A117       1.41150   0.00001  -0.00044  -0.00001  -0.00044   1.41106
   A118       1.17472   0.00001  -0.00037   0.00014  -0.00021   1.17451
   A119       0.90196   0.00002  -0.00019   0.00013  -0.00004   0.90192
   A120       1.24357  -0.00001  -0.00034  -0.00017  -0.00050   1.24306
   A121       2.02643  -0.00003  -0.00360  -0.00101  -0.00460   2.02183
   A122       2.02754  -0.00004  -0.00381  -0.00087  -0.00467   2.02286
   A123       2.33953  -0.00002  -0.00275  -0.00045  -0.00317   2.33635
   A124       2.23669   0.00001  -0.00389  -0.00044  -0.00434   2.23235
   A125       1.65549  -0.00006  -0.00402  -0.00125  -0.00529   1.65020
   A126       1.50502  -0.00005  -0.00157  -0.00013  -0.00167   1.50334
   A127       0.65518   0.00001  -0.00004   0.00004   0.00000   0.65518
   A128       0.66005   0.00001  -0.00006   0.00011   0.00005   0.66010
   A129       2.14346   0.00001   0.00014   0.00012   0.00026   2.14373
   A130       1.77650   0.00001  -0.00029   0.00000  -0.00028   1.77621
   A131       1.47658   0.00002  -0.00011   0.00014   0.00004   1.47662
   A132       1.18455   0.00003  -0.00002   0.00014   0.00015   1.18471
   A133       1.63549   0.00000  -0.00039  -0.00017  -0.00055   1.63494
   A134       1.88951  -0.00004  -0.00378  -0.00098  -0.00473   1.88477
   A135       2.05360  -0.00005  -0.00433  -0.00093  -0.00525   2.04836
   A136       2.46536  -0.00002  -0.00390  -0.00073  -0.00460   2.46076
   A137       2.51323   0.00001  -0.00515  -0.00066  -0.00581   2.50742
   A138       1.77792  -0.00006  -0.00410  -0.00118  -0.00530   1.77262
   A139       1.72166  -0.00004  -0.00114   0.00025  -0.00087   1.72079
   A140       0.70430   0.00001   0.00011   0.00003   0.00014   0.70445
   A141       0.83886   0.00001  -0.00014  -0.00003  -0.00017   0.83869
   A142       2.48831   0.00001  -0.00023   0.00004  -0.00018   2.48813
   A143       2.11008   0.00001  -0.00057  -0.00003  -0.00060   2.10948
   A144       1.87991   0.00002  -0.00020   0.00010  -0.00009   1.87983
   A145       1.59451   0.00003  -0.00002   0.00009   0.00010   1.59461
   A146       1.84129   0.00001  -0.00077  -0.00008  -0.00084   1.84045
   A147       1.46272  -0.00004  -0.00383  -0.00090  -0.00470   1.45802
   A148       1.67222  -0.00004  -0.00435  -0.00082  -0.00515   1.66707
   A149       2.09776  -0.00002  -0.00408  -0.00071  -0.00477   2.09299
   A150       2.26488   0.00000  -0.00552  -0.00070  -0.00620   2.25867
   A151       1.48510  -0.00005  -0.00375  -0.00092  -0.00467   1.48043
   A152       1.52996  -0.00003  -0.00046   0.00072   0.00027   1.53023
   A153       0.76019   0.00001  -0.00014   0.00022   0.00009   0.76028
   A154       0.76882   0.00002  -0.00050   0.00018  -0.00032   0.76850
   A155       2.79276   0.00001  -0.00003   0.00009   0.00006   2.79282
   A156       2.41504   0.00002  -0.00046  -0.00003  -0.00048   2.41456
   A157       2.12851   0.00003  -0.00012   0.00020   0.00010   2.12861
   A158       1.83533   0.00004  -0.00006   0.00021   0.00019   1.83552
   A159       2.15679   0.00000  -0.00068  -0.00020  -0.00087   2.15592
   A160       1.33024  -0.00006  -0.00323  -0.00098  -0.00419   1.32604
   A161       1.63102  -0.00005  -0.00361  -0.00095  -0.00454   1.62648
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   A164       1.56565  -0.00005  -0.00267  -0.00093  -0.00359   1.56206
   A165       1.69058  -0.00002   0.00041   0.00067   0.00108   1.69166
   A166       2.11965   0.00000   0.00060   0.00015   0.00076   2.12040
   A167       1.82863   0.00001   0.00016   0.00003   0.00019   1.82882
   A168       1.44012   0.00001   0.00025   0.00009   0.00036   1.44048
   A169       1.16259   0.00003   0.00016   0.00015   0.00033   1.16293
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   A171       2.08939  -0.00004  -0.00332  -0.00075  -0.00402   2.08537
   A172       2.36986  -0.00004  -0.00413  -0.00076  -0.00487   2.36499
   A173       2.79091  -0.00002  -0.00382  -0.00070  -0.00450   2.78641
   A174       2.16629  -0.00005  -0.00395  -0.00100  -0.00496   2.16133
   A175       2.12685  -0.00003  -0.00113   0.00036  -0.00075   2.12610
   A176       2.21303   0.00000   0.00119   0.00027   0.00147   2.21451
   A177       2.00194   0.00001   0.00072   0.00015   0.00088   2.00282
   A178       1.59041   0.00001   0.00077   0.00020   0.00098   1.59140
   A179       1.34318   0.00003   0.00053   0.00026   0.00083   1.34401
   A180       2.10683   0.00000   0.00035  -0.00009   0.00028   2.10711
   A181       2.01705  -0.00005  -0.00293  -0.00066  -0.00353   2.01352
   A182       2.37790  -0.00003  -0.00362  -0.00070  -0.00428   2.37362
   A183       2.70447  -0.00002  -0.00243  -0.00064  -0.00305   2.70142
   A184       2.31643  -0.00004  -0.00365  -0.00087  -0.00452   2.31190
   A185       2.35490  -0.00002  -0.00089   0.00055  -0.00033   2.35457
   A186       0.68930  -0.00001   0.00033   0.00004   0.00035   0.68966
   A187       0.97987  -0.00002   0.00032   0.00000   0.00029   0.98016
   A188       0.69782   0.00000   0.00024  -0.00002   0.00022   0.69803
   A189       2.04977   0.00005   0.00193   0.00045   0.00239   2.05216
   A190       1.68869   0.00003   0.00206   0.00038   0.00243   1.69112
   A191       1.33954   0.00002   0.00231   0.00049   0.00278   1.34232
   A192       1.04282   0.00001   0.00241   0.00037   0.00275   1.04557
   A193       1.62089   0.00003   0.00060   0.00014   0.00073   1.62162
   A194       1.41498   0.00000  -0.00200  -0.00125  -0.00324   1.41174
   A195       0.66756  -0.00002   0.00005  -0.00012  -0.00010   0.66747
   A196       2.22399   0.00004   0.00076   0.00023   0.00102   2.22501
   A197       1.82869   0.00002   0.00094   0.00024   0.00117   1.82987
   A198       1.57668   0.00001   0.00175   0.00050   0.00224   1.57891
   A199       1.26612   0.00001   0.00117   0.00032   0.00146   1.26757
   A200       1.61881   0.00000  -0.00085  -0.00020  -0.00107   1.61774
   A201       1.35330  -0.00001  -0.00260  -0.00120  -0.00379   1.34951
   A202       0.71256  -0.00001   0.00006  -0.00020  -0.00014   0.71242
   A203       2.62552   0.00003   0.00007   0.00009   0.00026   2.62577
   A204       2.23121   0.00001   0.00048   0.00015   0.00063   2.23184
   A205       1.98715   0.00000   0.00191   0.00048   0.00236   1.98952
   A206       1.67682   0.00000   0.00139   0.00031   0.00167   1.67849
   A207       1.96260  -0.00001  -0.00174  -0.00043  -0.00219   1.96041
   A208       1.67824  -0.00003  -0.00278  -0.00108  -0.00384   1.67440
   A209       0.83818  -0.00003   0.00027  -0.00034  -0.00009   0.83810
   A210       2.71573   0.00001  -0.00190  -0.00053  -0.00235   2.71338
   A211       2.37757  -0.00001  -0.00067  -0.00021  -0.00088   2.37669
   A212       2.23348  -0.00001   0.00144   0.00032   0.00172   2.23521
   A213       1.92554  -0.00001   0.00074   0.00014   0.00084   1.92638
   A214       2.02393  -0.00004  -0.00251  -0.00083  -0.00337   2.02056
   A215       1.73988  -0.00004  -0.00252  -0.00101  -0.00351   1.73637
   A216       1.92637   0.00005  -0.00062   0.00014  -0.00047   1.92590
   A217       1.54706   0.00002  -0.00042   0.00022  -0.00021   1.54685
   A218       1.43574   0.00002   0.00031   0.00050   0.00081   1.43655
   A219       1.15405   0.00002  -0.00103   0.00026  -0.00080   1.15325
   A220       1.25023   0.00000  -0.00173  -0.00022  -0.00197   1.24826
   A221       0.96751  -0.00001  -0.00280  -0.00092  -0.00371   0.96380
   A222       0.71389   0.00003  -0.00023   0.00000  -0.00026   0.71363
   A223       1.00724   0.00004  -0.00045   0.00007  -0.00033   1.00691
   A224       0.69645   0.00005   0.00109   0.00037   0.00144   0.69788
   A225       0.98317   0.00006   0.00140   0.00071   0.00211   0.98528
   A226       0.66080   0.00003  -0.00063   0.00004  -0.00057   0.66023
   A227       0.66230   0.00003   0.00045   0.00036   0.00081   0.66311
   A228       0.70270   0.00004   0.00069   0.00062   0.00134   0.70404
   A229       0.83639   0.00003  -0.00085  -0.00020  -0.00102   0.83536
   A230       0.78058   0.00006  -0.00173   0.00026  -0.00145   0.77913
   A231       0.79235   0.00005  -0.00419  -0.00097  -0.00515   0.78720
   A232       1.66726  -0.00007  -0.00310  -0.00097  -0.00409   1.66317
   A233       1.81677  -0.00011  -0.00369   0.00030  -0.00340   1.81337
   A234       2.19229  -0.00005  -0.00010  -0.00005  -0.00013   2.19216
   A235       2.12869   0.00006   0.00030   0.00015   0.00039   2.12908
   A236       1.96196  -0.00001  -0.00024  -0.00010  -0.00032   1.96164
   A237       2.12208  -0.00002  -0.00050  -0.00011  -0.00060   2.12148
   A238       2.12412   0.00002   0.00003   0.00011   0.00011   2.12423
   A239       2.03628   0.00000   0.00028  -0.00002   0.00024   2.03652
   A240       1.75913   0.00002   0.00107   0.00060   0.00168   1.76081
   A241       2.60663   0.00002  -0.00041  -0.00029  -0.00071   2.60591
   A242       1.91204   0.00001  -0.00047  -0.00015  -0.00062   1.91142
   A243       1.91409   0.00000   0.00101   0.00006   0.00109   1.91518
   A244       1.92379   0.00001  -0.00096   0.00001  -0.00095   1.92284
   A245       1.90781   0.00001  -0.00011   0.00007  -0.00005   1.90777
   A246       1.91071  -0.00004  -0.00025  -0.00025  -0.00050   1.91020
   A247       1.89524   0.00002   0.00079   0.00026   0.00105   1.89629
   A248       1.37011  -0.00005  -0.00046  -0.00032  -0.00078   1.36933
   A249       1.90821  -0.00001   0.00007   0.00004   0.00011   1.90832
   A250       1.90815  -0.00002  -0.00030   0.00002  -0.00028   1.90787
   A251       1.92781   0.00001   0.00008  -0.00010  -0.00002   1.92779
   A252       1.91075  -0.00001  -0.00031  -0.00006  -0.00036   1.91039
   A253       1.89534   0.00000   0.00013  -0.00004   0.00009   1.89543
   A254       1.91347   0.00003   0.00031   0.00014   0.00045   1.91393
   A255       1.71311   0.00004  -0.00008   0.00026   0.00018   1.71329
   A256       1.78672  -0.00003   0.00033  -0.00027   0.00006   1.78678
   A257       2.18954   0.00000  -0.00005   0.00004   0.00000   2.18954
   A258       2.13032   0.00000   0.00000  -0.00002  -0.00002   2.13030
   A259       1.96312   0.00000   0.00006  -0.00003   0.00003   1.96315
   A260       2.12189   0.00002   0.00006   0.00012   0.00018   2.12208
   A261       2.12475   0.00000  -0.00022   0.00000  -0.00022   2.12454
   A262       2.03651  -0.00001   0.00016  -0.00013   0.00003   2.03653
   A263       1.31759   0.00008  -0.00169   0.00130  -0.00038   1.31721
   A264       1.89798   0.00002  -0.00009   0.00008   0.00001   1.89799
   A265       1.93280  -0.00001   0.00009  -0.00015  -0.00007   1.93273
   A266       1.91013   0.00002   0.00001  -0.00002   0.00000   1.91013
   A267       1.89929   0.00000   0.00006  -0.00002   0.00004   1.89932
   A268       1.91203   0.00001  -0.00032   0.00003  -0.00030   1.91174
   A269       1.91145  -0.00003   0.00024   0.00008   0.00032   1.91176
   A270       2.63824   0.00000   0.00114   0.00033   0.00148   2.63972
   A271       1.72671   0.00000  -0.00112  -0.00039  -0.00151   1.72520
   A272       1.92327  -0.00001   0.00022   0.00007   0.00028   1.92355
   A273       1.91472   0.00002  -0.00011   0.00002  -0.00009   1.91463
   A274       1.91396   0.00000   0.00000   0.00000   0.00001   1.91396
   A275       1.89513   0.00000   0.00003  -0.00004   0.00000   1.89513
   A276       1.91065   0.00000  -0.00007  -0.00003  -0.00010   1.91055
   A277       1.90592  -0.00001  -0.00007  -0.00002  -0.00010   1.90582
   A278       1.81821  -0.00005  -0.00132  -0.00036  -0.00169   1.81652
   A279       1.75404   0.00002  -0.00104  -0.00004  -0.00108   1.75296
   A280       2.18878  -0.00003   0.00008  -0.00005   0.00003   2.18881
   A281       2.13065   0.00001   0.00008   0.00006   0.00013   2.13078
   A282       1.96367   0.00002  -0.00017   0.00000  -0.00017   1.96351
   A283       2.12167  -0.00002   0.00033   0.00004   0.00035   2.12202
   A284       2.11248   0.00004  -0.00032   0.00015  -0.00018   2.11230
   A285       2.04524  -0.00002   0.00027  -0.00018   0.00010   2.04534
   A286       2.69070   0.00001  -0.00035   0.00033  -0.00002   2.69068
   A287       1.66869  -0.00001   0.00061  -0.00036   0.00026   1.66895
   A288       1.92681   0.00000  -0.00043   0.00005  -0.00039   1.92642
   A289       1.91614  -0.00002   0.00029  -0.00020   0.00006   1.91620
   A290       1.91184  -0.00001  -0.00008   0.00009   0.00002   1.91186
   A291       1.89052   0.00001   0.00048  -0.00006   0.00044   1.89096
   A292       1.91198   0.00000  -0.00019   0.00001  -0.00017   1.91181
   A293       1.90632   0.00002  -0.00007   0.00012   0.00005   1.90637
   A294       1.31876   0.00006  -0.00125   0.00151   0.00026   1.31901
   A295       1.17437  -0.00005   0.00099  -0.00086   0.00013   1.17450
   A296       1.93463  -0.00001   0.00014  -0.00004   0.00008   1.93472
   A297       1.90688   0.00002  -0.00048   0.00006  -0.00041   1.90648
   A298       1.89982  -0.00001   0.00030  -0.00002   0.00032   1.90014
   A299       1.90823  -0.00003  -0.00015   0.00011  -0.00004   1.90819
   A300       1.90098   0.00002  -0.00010  -0.00007  -0.00017   1.90080
   A301       1.91320   0.00001   0.00029  -0.00004   0.00022   1.91343
   A302       1.70789   0.00013  -0.00189   0.00426   0.00237   1.71026
   A303       1.76953  -0.00011   0.00178  -0.00354  -0.00180   1.76773
   A304       2.19374   0.00010  -0.00099   0.00047  -0.00042   2.19333
   A305       2.12920  -0.00002   0.00022  -0.00027  -0.00011   2.12909
   A306       1.96002  -0.00007   0.00074  -0.00020   0.00050   1.96052
   A307       2.12850  -0.00006  -0.00166  -0.00019  -0.00195   2.12655
   A308       2.12056   0.00004   0.00238  -0.00029   0.00215   2.12271
   A309       2.03372   0.00002  -0.00086   0.00047  -0.00037   2.03335
   A310       1.43022   0.00009  -0.01150  -0.00070  -0.01224   1.41798
   A311       2.92151  -0.00004   0.01218   0.00120   0.01350   2.93501
   A312       1.90761   0.00004   0.00035   0.00034   0.00054   1.90815
   A313       1.92404   0.00003   0.00115   0.00055   0.00244   1.92648
   A314       1.90734   0.00004  -0.00051  -0.00010  -0.00038   1.90696
   A315       1.91648  -0.00006  -0.00073  -0.00045  -0.00142   1.91506
   A316       1.91318   0.00000  -0.00156   0.00048  -0.00110   1.91208
   A317       1.89511  -0.00006   0.00128  -0.00082  -0.00010   1.89501
   A318       1.71721  -0.00005  -0.00505  -0.00404  -0.00911   1.70811
   A319       1.91355  -0.00002   0.00016   0.00046   0.00060   1.91415
   A320       1.91361   0.00004  -0.00073  -0.00021  -0.00086   1.91275
   A321       1.92368   0.00000  -0.00026   0.00058   0.00029   1.92397
   A322       1.90576   0.00002   0.00122  -0.00020   0.00101   1.90677
   A323       1.91161   0.00003   0.00057  -0.00037   0.00020   1.91181
   A324       1.89544  -0.00008  -0.00095  -0.00028  -0.00124   1.89419
   A325       2.92550  -0.00001   0.00173   0.00000   0.00174   2.92723
   A326       3.35895  -0.00002   0.00408   0.00035   0.00443   3.36337
   A327       3.07717  -0.00003   0.00409   0.00034   0.00441   3.08159
   A328       3.28358  -0.00002  -0.00014  -0.00018  -0.00032   3.28326
   A329       3.22904   0.00004  -0.00145   0.00139  -0.00007   3.22897
   A330       3.22699   0.00003  -0.00140   0.00162   0.00022   3.22720
   A331       3.62882  -0.00002  -0.00448  -0.00441  -0.00890   3.61991
   A332       3.21425   0.00000  -0.00062  -0.00020  -0.00082   3.21343
   A333       3.08301  -0.00001  -0.00372  -0.00057  -0.00428   3.07873
   A334       3.02977   0.00000  -0.00401  -0.00069  -0.00469   3.02508
   A335       3.23481   0.00000  -0.00031   0.00010  -0.00022   3.23460
   A336       3.08227   0.00001   0.00015  -0.00017  -0.00002   3.08225
   A337       3.11237  -0.00002   0.00027  -0.00018   0.00008   3.11245
   A338       3.04028  -0.00004  -0.00226  -0.00112  -0.00339   3.03689
    D1        2.75178  -0.00002   0.00019   0.00018   0.00037   2.75214
    D2       -1.35085  -0.00002  -0.00178   0.00006  -0.00171  -1.35256
    D3        2.74204  -0.00001   0.00133   0.00052   0.00185   2.74388
    D4       -1.36059  -0.00001  -0.00064   0.00040  -0.00023  -1.36082
    D5        1.63255  -0.00001   0.00126   0.00040   0.00165   1.63421
    D6       -2.47007   0.00000  -0.00071   0.00029  -0.00042  -2.47050
    D7        1.78791   0.00000   0.00101   0.00048   0.00149   1.78940
    D8       -2.31471   0.00000  -0.00096   0.00036  -0.00059  -2.31530
    D9        0.26589  -0.00002   0.00238   0.00075   0.00313   0.26902
   D10        2.44645  -0.00002   0.00041   0.00064   0.00105   2.44750
   D11       -0.00746  -0.00002   0.00221   0.00070   0.00290  -0.00456
   D12        2.17310  -0.00002   0.00024   0.00059   0.00083   2.17393
   D13       -0.47221  -0.00002   0.00196   0.00071   0.00266  -0.46954
   D14        1.70835  -0.00001  -0.00001   0.00060   0.00059   1.70894
   D15       -0.59066  -0.00002   0.00244   0.00057   0.00300  -0.58766
   D16        1.58990  -0.00002   0.00047   0.00045   0.00092   1.59082
   D17        0.17072  -0.00001   0.00237   0.00080   0.00316   0.17388
   D18        2.35128  -0.00001   0.00040   0.00069   0.00109   2.35237
   D19        0.11748   0.00000   0.00208   0.00068   0.00275   0.12023
   D20        2.29804   0.00000   0.00011   0.00057   0.00067   2.29872
   D21        2.31122  -0.00001   0.00331   0.00100   0.00431   2.31553
   D22       -1.79141   0.00000   0.00134   0.00089   0.00223  -1.78918
   D23        2.05892   0.00000   0.00335   0.00098   0.00433   2.06325
   D24       -2.04371   0.00000   0.00138   0.00087   0.00225  -2.04145
   D25        1.62104   0.00001   0.00306   0.00101   0.00409   1.62512
   D26       -2.48159   0.00001   0.00109   0.00090   0.00201  -2.47958
   D27        1.31357   0.00002   0.00293   0.00108   0.00404   1.31761
   D28       -2.78905   0.00002   0.00096   0.00097   0.00197  -2.78709
   D29        2.25304  -0.00001   0.00434   0.00081   0.00515   2.25818
   D30       -1.84959  -0.00001   0.00237   0.00069   0.00307  -1.84652
   D31       -1.91830   0.00004   0.00557   0.00153   0.00709  -1.91121
   D32        0.26226   0.00004   0.00360   0.00141   0.00501   0.26727
   D33       -2.24057   0.00003   0.00586   0.00142   0.00727  -2.23330
   D34       -0.06001   0.00003   0.00389   0.00131   0.00519  -0.05481
   D35       -2.63024   0.00001   0.00581   0.00148   0.00727  -2.62298
   D36       -0.44968   0.00001   0.00383   0.00137   0.00519  -0.44449
   D37       -2.91229   0.00000   0.00609   0.00137   0.00744  -2.90484
   D38       -0.73173   0.00000   0.00412   0.00126   0.00537  -0.72636
   D39       -2.21239   0.00004   0.00502   0.00131   0.00634  -2.20605
   D40       -0.03183   0.00004   0.00305   0.00120   0.00426  -0.02757
   D41       -2.43934   0.00001   0.00072  -0.00105  -0.00035  -2.43969
   D42       -0.25878   0.00001  -0.00125  -0.00117  -0.00243  -0.26121
   D43        1.31838  -0.00002  -0.00250  -0.00067  -0.00316   1.31522
   D44       -1.98238  -0.00002   0.00238   0.00005   0.00243  -1.97995
   D45        2.47719   0.00000  -0.00104  -0.00040  -0.00144   2.47575
   D46       -0.82357   0.00000   0.00384   0.00032   0.00415  -0.81942
   D47        2.94007   0.00000  -0.00099  -0.00035  -0.00135   2.93872
   D48       -0.36069   0.00001   0.00388   0.00036   0.00425  -0.35644
   D49        2.84326   0.00001   0.00272   0.00027   0.00299   2.84625
   D50       -0.45750   0.00001   0.00760   0.00099   0.00858  -0.44891
   D51        2.03370  -0.00001   0.00238   0.00033   0.00270   2.03640
   D52       -1.26706   0.00000   0.00725   0.00105   0.00829  -1.25877
   D53        1.15945  -0.00001   0.00050   0.00033   0.00083   1.16028
   D54       -2.14131   0.00000   0.00537   0.00105   0.00642  -2.13489
   D55        1.04150  -0.00002   0.00023  -0.00021   0.00001   1.04151
   D56       -2.25926  -0.00001   0.00510   0.00051   0.00560  -2.25365
   D57        2.02834  -0.00001   0.00083   0.00010   0.00093   2.02927
   D58       -1.27242   0.00000   0.00571   0.00082   0.00652  -1.26590
   D59        1.85202  -0.00001  -0.00008  -0.00010  -0.00020   1.85183
   D60       -1.44873   0.00000   0.00479   0.00062   0.00540  -1.44334
   D61       -2.30889  -0.00001   0.00070   0.00017   0.00088  -2.30801
   D62        0.67354   0.00000   0.00557   0.00089   0.00647   0.68001
   D63       -2.43235   0.00000   0.00039  -0.00003   0.00036  -2.43199
   D64        0.55008   0.00000   0.00527   0.00069   0.00596   0.55603
   D65       -2.83259   0.00000   0.00038  -0.00004   0.00035  -2.83224
   D66        0.14984   0.00001   0.00526   0.00067   0.00594   0.15578
   D67       -3.00949   0.00002   0.00030   0.00006   0.00038  -3.00911
   D68       -0.02706   0.00002   0.00518   0.00078   0.00597  -0.02109
   D69       -2.14528  -0.00002   0.00035  -0.00034   0.00001  -2.14527
   D70        0.83715  -0.00001   0.00523   0.00037   0.00560   0.84275
   D71       -0.20635   0.00004   0.00078   0.00009   0.00085  -0.20550
   D72        2.77608   0.00004   0.00565   0.00081   0.00645   2.78252
   D73       -0.60146   0.00001   0.00094   0.00012   0.00105  -0.60041
   D74        2.38096   0.00002   0.00582   0.00084   0.00665   2.38761
   D75       -0.81850   0.00001   0.00229   0.00052   0.00281  -0.81569
   D76        2.16393   0.00002   0.00716   0.00124   0.00841   2.17233
   D77       -1.15390   0.00001   0.00215   0.00043   0.00257  -1.15132
   D78        1.82853   0.00002   0.00703   0.00115   0.00817   1.83670
   D79       -0.84132  -0.00001  -0.00117  -0.00043  -0.00162  -0.84294
   D80        2.14111   0.00000   0.00370   0.00029   0.00397   2.14508
   D81       -1.13821  -0.00003  -0.00303  -0.00140  -0.00439  -1.14260
   D82        1.84422  -0.00002   0.00184  -0.00068   0.00120   1.84542
   D83       -1.49765   0.00000   0.00036  -0.00014   0.00022  -1.49744
   D84       -2.59137   0.00000   0.00025  -0.00001   0.00024  -2.59113
   D85       -2.94677   0.00000   0.00059   0.00023   0.00081  -2.94595
   D86        0.72810   0.00000   0.00226   0.00038   0.00264   0.73074
   D87        0.31007   0.00000   0.00228   0.00037   0.00264   0.31271
   D88       -0.06742  -0.00001   0.00258   0.00036   0.00293  -0.06449
   D89       -0.39655  -0.00001   0.00239   0.00029   0.00267  -0.39388
   D90        0.18873   0.00000   0.00189   0.00036   0.00224   0.19097
   D91       -0.03964  -0.00001   0.00148   0.00026   0.00173  -0.03791
   D92        2.37420   0.00000   0.00251   0.00050   0.00301   2.37721
   D93        2.02963   0.00001   0.00204   0.00038   0.00243   2.03206
   D94        1.63243   0.00001   0.00216   0.00047   0.00265   1.63508
   D95        1.34639   0.00002   0.00202   0.00052   0.00257   1.34896
   D96        2.03918  -0.00001   0.00189   0.00018   0.00207   2.04124
   D97       -2.01239   0.00005   0.00448   0.00100   0.00542  -2.00697
   D98       -2.50963   0.00002   0.00314   0.00072   0.00386  -2.50577
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   D192       0.29456  -0.00002   0.00222   0.00153   0.00381   0.29838
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   D213       0.00558   0.00000   0.00220   0.00039   0.00258   0.00816
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   D314      -0.35541  -0.00002  -0.00420  -0.00113  -0.00534  -0.36074
   D315       1.72021  -0.00002  -0.00363  -0.00166  -0.00529   1.71492
   D316      -0.24030  -0.00003  -0.00420  -0.00093  -0.00513  -0.24543
   D317       1.83532  -0.00003  -0.00363  -0.00147  -0.00509   1.83023
   D318       0.17197  -0.00001  -0.00374  -0.00077  -0.00448   0.16749
   D319       2.24759  -0.00001  -0.00317  -0.00130  -0.00444   2.24315
   D320       0.30853   0.00002  -0.00537  -0.00088  -0.00623   0.30230
   D321       2.38415   0.00001  -0.00480  -0.00141  -0.00619   2.37796
   D322      -0.52571  -0.00005  -0.00403  -0.00121  -0.00526  -0.53097
   D323       1.54990  -0.00005  -0.00346  -0.00174  -0.00522   1.54469
   D324      -0.58391  -0.00003  -0.00087   0.00043  -0.00042  -0.58434
   D325       1.49171  -0.00003  -0.00030  -0.00011  -0.00038   1.49133
   D326      -0.02199   0.00001  -0.00124  -0.00052  -0.00174  -0.02372
   D327       2.15943  -0.00001  -0.00119  -0.00045  -0.00160   2.15782
   D328       0.31087   0.00000  -0.00132  -0.00075  -0.00208   0.30880
   D329       2.49229  -0.00002  -0.00127  -0.00068  -0.00194   2.49035
   D330       0.67102   0.00001  -0.00065  -0.00071  -0.00139   0.66964
   D331       2.85244  -0.00001  -0.00060  -0.00064  -0.00126   2.85119
   D332       0.95492   0.00000  -0.00043  -0.00082  -0.00130   0.95362
   D333       3.13634  -0.00001  -0.00038  -0.00075  -0.00117   3.13517
   D334       0.30878  -0.00002  -0.00325  -0.00122  -0.00443   0.30434
   D335       2.49019  -0.00004  -0.00320  -0.00114  -0.00430   2.48589
   D336       0.67579  -0.00003  -0.00237  -0.00115  -0.00355   0.67225
   D337       2.85721  -0.00004  -0.00232  -0.00107  -0.00341   2.85380
   D338      -2.42436   0.00002  -0.00162  -0.00081  -0.00247  -2.42683
   D339      -0.24295   0.00001  -0.00157  -0.00074  -0.00234  -0.24529
   D340      -2.02675   0.00001  -0.00230  -0.00097  -0.00333  -2.03008
   D341       0.15467   0.00000  -0.00225  -0.00090  -0.00320   0.15147
   D342      -1.97418   0.00001  -0.00212  -0.00081  -0.00297  -1.97715
   D343       0.20724  -0.00001  -0.00206  -0.00074  -0.00284   0.20440
   D344      -1.68061   0.00000  -0.00156  -0.00089  -0.00250  -1.68311
   D345       0.50081  -0.00001  -0.00151  -0.00082  -0.00237   0.49844
   D346      -1.63945   0.00002  -0.00316  -0.00110  -0.00436  -1.64380
   D347       0.54197   0.00001  -0.00311  -0.00103  -0.00422   0.53775
   D348      -1.32590   0.00002  -0.00351  -0.00115  -0.00473  -1.33063
   D349       0.85552   0.00000  -0.00346  -0.00108  -0.00460   0.85092
   D350       1.73408   0.00000   0.00002  -0.00042  -0.00046   1.73362
   D351      -2.36768  -0.00001   0.00007  -0.00035  -0.00033  -2.36801
   D352       2.13487   0.00001   0.00154  -0.00009   0.00143   2.13630
   D353      -1.96690  -0.00001   0.00159  -0.00002   0.00156  -1.96534
   D354       2.29497   0.00002   0.00531   0.00063   0.00594   2.30091
   D355      -1.80680   0.00000   0.00536   0.00070   0.00608  -1.80073
   D356       2.92066   0.00004   0.00519   0.00073   0.00616   2.92682
   D357      -1.18111   0.00002   0.00524   0.00080   0.00629  -1.17481
   D358       2.48923   0.00002  -0.00003  -0.00040  -0.00041   2.48881
   D359      -1.61254   0.00000   0.00002  -0.00032  -0.00028  -1.61282
   D360       1.62342   0.00003  -0.00137  -0.00120  -0.00261   1.62081
   D361      -2.47835   0.00001  -0.00131  -0.00113  -0.00248  -2.48083
   D362       1.75965  -0.00001   0.00148  -0.00075   0.00074   1.76039
   D363      -2.34212  -0.00003   0.00153  -0.00068   0.00087  -2.34125
   D364       2.74267   0.00005  -0.00078  -0.00041  -0.00114   2.74153
   D365      -1.35910   0.00003  -0.00073  -0.00034  -0.00101  -1.36010
   D366       2.71528   0.00002  -0.00400  -0.00219  -0.00616   2.70912
   D367      -1.38649   0.00000  -0.00395  -0.00212  -0.00603  -1.39252
   D368       0.02378  -0.00001  -0.00391  -0.00001  -0.00390   0.01988
   D369      -2.75535  -0.00001   0.00972   0.00051   0.01022  -2.74513
   D370       0.41756   0.00000  -0.00261   0.00007  -0.00254   0.41502
   D371      -2.36157   0.00001   0.01101   0.00058   0.01158  -2.34999
   D372       0.59415   0.00001  -0.00141   0.00036  -0.00104   0.59311
   D373      -2.18498   0.00001   0.01221   0.00087   0.01308  -2.17190
   D374       0.87447   0.00000  -0.00159   0.00015  -0.00144   0.87303
   D375      -1.90466   0.00000   0.01203   0.00066   0.01268  -1.89198
   D376       0.69893   0.00000  -0.00350  -0.00027  -0.00377   0.69517
   D377      -2.08020   0.00000   0.01012   0.00024   0.01035  -2.06984
   D378       1.02669   0.00000  -0.00277  -0.00022  -0.00299   1.02371
   D379      -1.75244   0.00000   0.01085   0.00029   0.01113  -1.74130
   D380      -2.86501   0.00002  -0.00132   0.00054  -0.00079  -2.86580
   D381       0.63905   0.00002   0.01230   0.00105   0.01333   0.65238
   D382      -2.30809   0.00001  -0.00292   0.00030  -0.00260  -2.31070
   D383       1.19596   0.00001   0.01070   0.00081   0.01152   1.20748
   D384      -2.00787   0.00001  -0.00421  -0.00003  -0.00424  -2.01211
   D385       1.49618   0.00001   0.00941   0.00048   0.00988   1.50607
   D386      -1.65328   0.00000  -0.00471  -0.00035  -0.00504  -1.65832
   D387       1.85077   0.00000   0.00891   0.00016   0.00908   1.85986
   D388      -1.78757   0.00001  -0.00707  -0.00007  -0.00710  -1.79468
   D389       1.71648   0.00001   0.00655   0.00044   0.00702   1.72350
   D390      -1.05736   0.00000  -0.01150  -0.00117  -0.01269  -1.07005
   D391       2.44670   0.00000   0.00212  -0.00066   0.00143   2.44812
   D392       1.76572   0.00000  -0.00384  -0.00013  -0.00397   1.76175
   D393      -1.01341   0.00000   0.00978   0.00038   0.01015  -1.00326
   D394       2.06408   0.00000  -0.00298  -0.00004  -0.00302   2.06105
   D395      -0.71506   0.00000   0.01064   0.00047   0.01110  -0.70396
   D396       2.00722   0.00000  -0.00170   0.00003  -0.00169   2.00553
   D397      -0.77191   0.00000   0.01192   0.00054   0.01243  -0.75948
   D398       2.19370   0.00000  -0.00076   0.00033  -0.00048   2.19323
   D399      -0.58543   0.00000   0.01286   0.00084   0.01364  -0.57178
   D400       2.46944  -0.00001  -0.00350  -0.00022  -0.00372   2.46572
   D401      -0.30969  -0.00001   0.01012   0.00029   0.01040  -0.29929
   D402      -1.47673   0.00002  -0.00489  -0.00081  -0.00573  -1.48247
   D403       2.02732   0.00002   0.00874  -0.00030   0.00839   2.03571
   D404      -2.58094  -0.00002  -0.00642  -0.00100  -0.00742  -2.58836
   D405       0.92311  -0.00002   0.00720  -0.00049   0.00670   0.92981
   D406      -2.94887  -0.00002  -0.00843  -0.00224  -0.01067  -2.95954
   D407       0.55519  -0.00002   0.00519  -0.00172   0.00345   0.55864
   D408       1.81241  -0.00002   0.00468   0.00278   0.00745   1.81987
   D409       2.30661   0.00001   0.00696   0.00310   0.01006   2.31667
   D410       2.52361   0.00001   0.00762   0.00324   0.01086   2.53447
   D411       2.76703   0.00001   0.00756   0.00307   0.01063   2.77766
   D412       2.73889   0.00004   0.00928   0.00359   0.01290   2.75179
   D413      -3.06532   0.00005   0.01120   0.00392   0.01517  -3.05015
   D414      -0.85435   0.00001   0.00575   0.00291   0.00865  -0.84570
   D415      -0.47757   0.00001   0.00552   0.00281   0.00832  -0.46925
   D416      -0.16105   0.00002   0.00587   0.00295   0.00882  -0.15223
   D417       0.14677   0.00002   0.00572   0.00287   0.00860   0.15537
   D418      -0.35053   0.00000   0.00480   0.00256   0.00735  -0.34318
   D419      -0.03745  -0.00001   0.00368   0.00228   0.00595  -0.03150
   D420      -2.64873   0.00001   0.00603   0.00289   0.00892  -2.63982
   D421      -2.26921   0.00001   0.00639   0.00297   0.00936  -2.25986
   D422      -2.03117   0.00002   0.00766   0.00323   0.01088  -2.02029
   D423      -1.71649   0.00001   0.00748   0.00322   0.01066  -1.70582
   D424      -2.04820  -0.00001   0.00492   0.00265   0.00756  -2.04065
   D425       1.34367   0.00002   0.00435   0.00264   0.00705   1.35072
   D426       2.49082  -0.00001   0.00259   0.00189   0.00449   2.49531
   D427       2.93849  -0.00004   0.00462   0.00208   0.00672   2.94521
   D428      -3.07444   0.00007   0.00251   0.00066   0.00318  -3.07126
   D429       0.02545   0.00002  -0.00363   0.00004  -0.00358   0.02186
   D430       0.04360  -0.00009   0.00013   0.00058   0.00070   0.04430
   D431      -3.13970  -0.00014  -0.00601  -0.00004  -0.00606   3.13742
   D432      -0.02025  -0.00007  -0.00764  -0.00129  -0.00893  -0.02919
   D433       2.07367  -0.00006  -0.00744  -0.00126  -0.00870   2.06497
   D434      -2.12379  -0.00003  -0.00643  -0.00089  -0.00731  -2.13110
   D435      -3.12214  -0.00003  -0.00179  -0.00070  -0.00249  -3.12463
   D436      -1.02821  -0.00001  -0.00160  -0.00067  -0.00227  -1.03048
   D437       1.05751   0.00001  -0.00058  -0.00030  -0.00088   1.05663
   D438      -2.35841   0.00004   0.00717   0.00076   0.00793  -2.35048
   D439      -0.26687   0.00000   0.00667   0.00072   0.00739  -0.25948
   D440       1.84013   0.00003   0.00692   0.00084   0.00776   1.84789
   D441       0.74342  -0.00001   0.00131   0.00016   0.00147   0.74489
   D442       2.83497  -0.00004   0.00080   0.00013   0.00093   2.83589
   D443      -1.34122  -0.00001   0.00105   0.00025   0.00130  -1.33992
   D444      -0.01186   0.00002   0.00031  -0.00016   0.00014  -0.01171
   D445       3.12060   0.00002  -0.00043  -0.00042  -0.00085   3.11975
   D446      -3.13248   0.00001   0.00019  -0.00018   0.00001  -3.13247
   D447      -0.00003   0.00001  -0.00055  -0.00043  -0.00098  -0.00100
   D448       2.46358  -0.00002   0.00124  -0.00106   0.00019   2.46377
   D449      -1.73348  -0.00002   0.00132  -0.00112   0.00019  -1.73328
   D450       0.37545  -0.00005   0.00167  -0.00113   0.00055   0.37599
   D451      -0.66931  -0.00002   0.00194  -0.00082   0.00113  -0.66818
   D452       1.41681  -0.00002   0.00202  -0.00088   0.00114   1.41795
   D453      -2.75745  -0.00005   0.00238  -0.00089   0.00149  -2.75596
   D454       2.06622   0.00000  -0.00118   0.00010  -0.00108   2.06514
   D455      -2.13130   0.00000  -0.00107   0.00010  -0.00097  -2.13227
   D456      -0.03813   0.00000  -0.00123   0.00009  -0.00114  -0.03927
   D457      -1.08409   0.00000  -0.00188  -0.00014  -0.00202  -1.08611
   D458       1.00158   0.00000  -0.00177  -0.00014  -0.00191   0.99967
   D459       3.09475   0.00000  -0.00193  -0.00015  -0.00208   3.09267
   D460      -3.07001  -0.00005  -0.00200  -0.00044  -0.00244  -3.07245
   D461      -0.02464  -0.00005   0.00148  -0.00041   0.00107  -0.02357
   D462       0.08541  -0.00002  -0.00126  -0.00068  -0.00194   0.08347
   D463       3.13078  -0.00002   0.00222  -0.00065   0.00157   3.13235
   D464       1.92337  -0.00001   0.00309   0.00052   0.00361   1.92698
   D465      -2.27675  -0.00001   0.00361   0.00035   0.00395  -2.27280
   D466      -0.18352  -0.00001   0.00365   0.00042   0.00406  -0.17946
   D467      -1.12555  -0.00001  -0.00023   0.00047   0.00025  -1.12530
   D468       0.95751  -0.00001   0.00029   0.00029   0.00059   0.95810
   D469       3.05074  -0.00001   0.00033   0.00037   0.00070   3.05144
   D470      -1.58700  -0.00004  -0.00151  -0.00205  -0.00355  -1.59055
   D471       0.51698  -0.00007  -0.00191  -0.00190  -0.00381   0.51317
   D472       2.60571  -0.00006  -0.00166  -0.00192  -0.00359   2.60212
   D473       1.46244  -0.00004   0.00183  -0.00200  -0.00017   1.46227
   D474      -2.71676  -0.00007   0.00143  -0.00186  -0.00044  -2.71720
   D475      -0.62803  -0.00006   0.00167  -0.00188  -0.00021  -0.62825
   D476       0.01745  -0.00006   0.00137  -0.00307  -0.00168   0.01576
   D477      -3.09260  -0.00002   0.00730  -0.00277   0.00457  -3.08804
   D478       3.13676  -0.00008  -0.00004  -0.00317  -0.00319   3.13357
   D479       0.02672  -0.00004   0.00589  -0.00287   0.00305   0.02977
   D480      -0.23581   0.00003  -0.01318  -0.00308  -0.01633  -0.25214
   D481       1.87221   0.00001  -0.01314  -0.00307  -0.01621   1.85599
   D482      -2.32946  -0.00002  -0.01120  -0.00381  -0.01509  -2.34455
   D483       2.87573  -0.00001  -0.01879  -0.00338  -0.02223   2.85350
   D484      -1.29945  -0.00003  -0.01875  -0.00337  -0.02211  -1.32156
   D485       0.78207  -0.00006  -0.01680  -0.00411  -0.02099   0.76108
   D486       0.00203   0.00001   0.00341   0.00471   0.00809   0.01012
   D487       2.09408   0.00005   0.00457   0.00462   0.00916   2.10323
   D488      -2.10351  -0.00002   0.00278   0.00450   0.00727  -2.09624
   D489      -3.10965   0.00005   0.00905   0.00500   0.01405  -3.09560
   D490      -1.01760   0.00009   0.01020   0.00491   0.01512  -1.00249
   D491       1.06799   0.00002   0.00841   0.00480   0.01323   1.08122
         Item               Value     Threshold  Converged?
 Maximum Force            0.000266     0.000450     YES
 RMS     Force            0.000028     0.000300     YES
 Maximum Displacement     0.046328     0.001800     NO 
 RMS     Displacement     0.004285     0.001200     NO 
 Predicted change in Energy=-1.122021D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:03:30 2016, MaxMem=  2952790016 cpu:         5.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.869335   -0.610431    1.686242
      2          6           0       -2.140186    1.007930   -1.420139
      3          8           0       -2.603989    0.024420   -2.021735
      4          7           0       -0.873018    1.113958   -0.932840
      5          1           0       -2.753511    1.904797   -1.200538
      6          6           0       -0.444618    2.281113   -0.160510
      7          1           0       -1.272795    2.999780   -0.091610
      8          1           0       -0.148628    1.967853    0.853895
      9          1           0        0.419452    2.762472   -0.646950
     10          6           0        0.109731    0.041385   -1.103592
     11          1           0        0.630874   -0.131034   -0.149037
     12          1           0       -0.405887   -0.878088   -1.410004
     13          1           0        0.855684    0.320100   -1.866187
     14          6           0       -1.968830   -4.045244    2.618932
     15          8           0       -2.129112   -3.891495    3.841953
     16          7           0       -2.885574   -3.746308    1.659228
     17          1           0       -1.022340   -4.434124    2.194198
     18          6           0       -4.204711   -3.206365    1.999452
     19          1           0       -4.477593   -2.442791    1.254166
     20          1           0       -4.967321   -4.002838    1.988448
     21          1           0       -4.166157   -2.748688    2.996794
     22          6           0       -2.600050   -3.935643    0.236892
     23          1           0       -3.300265   -4.667668   -0.197979
     24          1           0       -2.717078   -2.977671   -0.296463
     25          1           0       -1.569293   -4.295513    0.111370
     26          6           0        1.532920    0.364031    2.614484
     27          8           0        1.376552    1.380384    3.312080
     28          7           0        1.140522   -0.893768    2.954613
     29          1           0        2.009998    0.403716    1.615331
     30          6           0        1.442899   -2.046743    2.105824
     31          1           0        2.188383   -2.697432    2.593194
     32          1           0        0.527323   -2.635196    1.936036
     33          1           0        1.834037   -1.699367    1.139786
     34          6           0        0.497669   -1.161785    4.244264
     35          1           0        1.247363   -1.426677    5.009263
     36          1           0       -0.051026   -0.267772    4.567481
     37          1           0       -0.201858   -2.001550    4.125165
     38          6           0       -4.524507    1.385827    2.880449
     39          8           0       -4.712248    2.057121    1.851547
     40          7           0       -3.441053    1.474313    3.698809
     41          1           0       -5.243927    0.611751    3.216171
     42          6           0       -2.355570    2.423213    3.443500
     43          1           0       -2.442534    2.807538    2.419587
     44          1           0       -2.400566    3.260163    4.160305
     45          1           0       -1.389090    1.910226    3.563622
     46          6           0       -3.278833    0.592525    4.854565
     47          1           0       -4.129795   -0.100628    4.913461
     48          1           0       -2.345533    0.014407    4.750500
     49          1           0       -3.221808    1.185925    5.781874
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.513127   0.000000
     3  O    3.832994   1.242708   0.000000
     4  N    3.290252   1.361770   2.317119   0.000000
     5  H    3.929585   1.108496   2.057314   2.057509   0.000000
     6  C    3.715016   2.466295   3.635891   1.463650   2.560129
     7  H    4.068199   2.546531   3.788169   2.103287   2.149705
     8  H    3.209545   3.171590   4.251467   2.108625   3.318145
     9  H    4.696680   3.198122   4.304434   2.114193   3.333131
    10  C    3.482060   2.469116   2.864881   1.464706   3.417581
    11  H    3.138331   3.254491   3.741056   2.103816   4.087093
    12  H    3.435122   2.562218   2.453648   2.100986   3.646871
    13  H    4.572896   3.106011   3.475767   2.118905   3.997580
    14  C    3.560582   6.471324   6.204948   6.358715   7.113864
    15  O    3.934457   7.189861   7.067017   7.030717   7.708021
    16  N    3.296543   5.713220   5.277041   5.864417   6.334879
    17  H    3.949183   6.627894   6.336744   6.370391   7.396155
    18  C    3.505845   5.806561   5.400947   6.193844   6.202410
    19  H    3.216713   4.952056   4.508775   5.516015   5.282002
    20  H    4.604050   6.687224   6.155138   7.174876   7.068999
    21  H    3.400746   6.142152   5.942737   6.419254   6.424024
    22  C    3.700215   5.234132   4.558893   5.463459   6.016685
    23  H    4.696703   5.920462   5.081985   6.313378   6.670934
    24  H    3.202126   4.180966   3.464377   4.532875   4.965599
    25  H    4.018715   5.549590   4.927733   5.553156   6.447272
    26  C    3.658764   5.494042   6.222851   4.351372   5.941536
    27  O    4.140348   5.907628   6.792122   4.811538   6.139719
    28  N    3.278458   5.789470   6.295115   4.816389   6.345135
    29  H    4.010331   5.177179   5.887358   3.912723   5.733532
    30  C    3.634548   5.882342   6.140339   4.958526   6.645040
    31  H    4.652226   6.969438   7.188384   6.027585   7.745659
    32  H    3.147387   5.626001   5.704614   4.924181   6.419775
    33  H    3.898636   5.447671   5.715131   4.420263   6.285914
    34  C    3.528480   6.614484   7.091551   5.818951   7.044143
    35  H    4.628448   7.664203   8.146994   6.801428   8.103539
    36  H    3.424208   6.468663   7.072535   5.730478   6.730046
    37  H    3.265584   6.600340   6.903562   5.978316   7.080508
    38  C    3.530030   4.931821   5.438127   5.286631   4.478863
    39  O    3.901963   4.291880   4.855815   4.835499   3.629748
    40  N    3.296495   5.302207   5.960494   5.308186   4.966048
    41  H    3.901574   5.593348   5.894904   6.047425   5.232729
    42  C    3.539404   5.069951   5.973668   4.802548   4.689797
    43  H    3.542438   4.251294   5.243773   4.070671   3.743922
    44  H    4.624359   6.023430   6.980618   5.734085   5.540778
    45  H    3.179450   5.120172   6.019007   4.595492   4.955693
    46  C    3.670430   6.390696   6.932652   6.289189   6.217901
    47  H    3.972974   6.730672   7.102159   6.801548   6.580036
    48  H    3.163362   6.253482   6.777172   5.973078   6.257385
    49  H    4.672288   7.284956   7.913729   7.114027   7.034924
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098685   0.000000
     8  H    1.102161   1.795161   0.000000
     9  H    1.102246   1.796780   1.790717   0.000000
    10  C    2.492606   3.418711   2.758583   2.776466   0.000000
    11  H    2.641073   3.664594   2.453328   2.943635   1.101134
    12  H    3.397541   4.186592   3.645654   3.810132   1.097807
    13  H    2.906147   3.854897   3.335053   2.764420   1.102578
    14  C    7.076109   7.580493   6.525781   7.919272   5.905772
    15  O    7.547074   7.980969   6.868971   8.421443   6.703610
    16  N    6.752742   7.153754   6.386788   7.655447   5.563421
    17  H    7.139526   7.781426   6.598871   7.870316   5.673376
    18  C    6.994009   7.175299   6.673577   8.000833   6.228256
    19  H    6.370359   6.457819   6.193055   7.395272   5.724831
    20  H    8.034981   8.186137   7.756040   9.040579   7.189779
    21  H    7.008375   7.138253   6.555784   8.042236   6.548350
    22  C    6.591803   7.068919   6.421948   7.400223   4.995654
    23  H    7.512768   7.931690   7.420875   8.321349   5.884164
    24  H    5.730390   6.152873   5.690207   6.550565   4.213906
    25  H    6.677636   7.304136   6.465244   7.371926   4.806656
    26  C    3.909789   4.705545   2.915394   4.198723   3.994204
    27  O    4.023289   4.607232   2.951943   4.301177   4.784968
    28  N    4.721920   5.501208   3.776745   5.182594   4.290230
    29  H    3.564179   4.519948   2.772359   3.634760   3.336892
    30  C    5.237302   6.137679   4.496361   5.635047   4.054377
    31  H    6.269090   7.186526   5.500151   6.590766   5.048579
    32  H    5.432336   6.253378   4.776609   5.984837   4.071586
    33  H    4.767311   5.766344   4.178659   5.010137   3.322077
    34  C    5.669522   6.265219   4.659070   6.271353   5.495241
    35  H    6.583089   7.208580   5.544250   7.087111   6.388772
    36  H    5.385688   5.820373   4.335697   6.049299   5.681769
    37  H    6.063592   6.628831   5.143948   6.771633   5.622328
    38  C    5.166670   4.691654   4.857365   6.227393   6.257497
    39  O    4.723475   4.061317   4.672248   5.751030   6.003958
    40  N    4.952161   4.625545   4.379176   5.953862   6.142020
    41  H    6.100993   5.693328   5.777666   7.184926   6.902704
    42  C    4.081767   3.741902   3.432783   4.954555   5.694459
    43  H    3.305404   2.776933   2.901459   4.194835   5.155429
    44  H    4.842904   4.406636   4.204002   5.595524   6.661136
    45  H    3.859890   3.815937   2.980719   4.661122   5.246134
    46  C    6.002924   5.855230   5.262611   6.975145   6.876465
    47  H    6.708085   6.544136   6.050486   7.733767   7.361975
    48  H    5.733189   5.788717   4.881175   6.658037   6.348184
    49  H    6.650125   6.448762   5.860104   7.554737   7.734259
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795272   0.000000
    13  H    1.789599   1.798699   0.000000
    14  C    5.453545   5.357797   6.866615   0.000000
    15  O    6.138941   6.295489   7.696064   1.243024   0.000000
    16  N    5.357746   4.878086   6.554483   1.360447   2.314650
    17  H    5.171118   5.100557   6.528120   1.107912   2.057787
    18  C    6.120176   5.610377   7.279198   2.467111   2.858727
    19  H    5.780107   5.111251   6.768605   3.274803   3.782955
    20  H    7.134389   6.490010   8.213002   3.064353   3.391653
    21  H    6.305543   6.087581   7.634457   2.579164   2.483919
    22  C    5.006283   4.107951   5.871660   2.466692   3.635959
    23  H    6.003108   4.920096   6.703183   3.177281   4.277276
    24  H    4.397029   3.315091   5.109203   3.193605   4.278699
    25  H    4.717143   3.917510   5.576301   2.551495   3.793926
    26  C    2.948868   4.636630   4.531776   5.630629   5.746883
    27  O    3.849643   5.529544   5.311305   6.411667   6.353201
    28  N    3.236379   4.630497   4.979430   4.439882   4.523743
    29  H    2.302376   4.078256   3.668842   6.052399   6.367018
    30  C    3.068180   4.140629   4.660863   3.987127   4.379100
    31  H    4.065964   5.105472   5.546861   4.370318   4.650371
    32  H    3.260227   3.892852   4.826852   2.947094   3.502493
    33  H    2.359732   3.491874   3.751173   4.706677   5.273868
    34  C    4.514563   5.733030   6.297759   4.127912   3.809613
    35  H    5.354139   6.651403   7.104678   4.786907   4.340337
    36  H    4.767518   6.019031   6.523787   4.663058   4.239835
    37  H    4.739312   5.651715   6.511893   3.093156   2.714113
    38  C    6.169004   6.363673   7.253468   6.008029   5.874737
    39  O    6.110590   6.148000   6.916694   6.734544   6.783829
    40  N    5.827834   6.391087   7.124840   5.813698   5.525719
    41  H    6.810994   6.857678   7.944852   5.724558   5.511161
    42  C    5.324410   6.185172   6.551947   6.532260   6.331318
    43  H    4.967784   5.691883   5.952600   6.872027   6.855539
    44  H    6.265802   7.220263   7.454243   7.478717   7.163885
    45  H    4.693701   5.786046   6.086899   6.057736   5.855345
    46  C    6.391040   7.047081   7.895376   5.312539   4.738531
    47  H    6.949373   7.379576   8.425891   5.049221   4.418318
    48  H    5.734598   6.520013   7.356751   4.600680   4.016014
    49  H    7.193973   7.994540   8.710249   6.240135   5.544139
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056921   0.000000
    18  C    1.465405   3.416548   0.000000
    19  H    2.097082   4.097297   1.101346   0.000000
    20  H    2.123173   3.973816   1.102754   1.792415   0.000000
    21  H    2.103383   3.656288   1.098018   1.796474   1.797643
    22  C    1.463015   2.562948   2.492670   2.605498   2.945579
    23  H    2.114258   3.311494   2.789647   2.906011   2.828699
    24  H    2.108061   3.346159   2.745283   2.406233   3.366806
    25  H    2.104777   2.157902   3.420018   3.632736   3.893029
    26  C    6.109869   5.452366   6.785750   6.771631   7.855865
    27  O    6.868815   6.388494   7.342463   7.288532   8.424715
    28  N    5.101418   4.217858   5.901860   6.070767   6.921383
    29  H    6.418042   5.738891   7.197419   7.093792   8.260746
    30  C    4.671579   3.432900   5.766414   5.994531   6.703060
    31  H    5.264739   3.672062   6.440744   6.803901   7.298898
    32  H    3.599870   2.388357   4.766802   5.054815   5.662536
    33  H    5.170544   4.092625   6.283037   6.356291   7.230815
    34  C    4.980813   4.149868   5.597487   5.944316   6.559452
    35  H    5.803843   4.703284   6.476987   6.921587   7.374567
    36  H    5.347224   4.892281   5.699403   5.941655   6.691195
    37  H    4.040713   3.212358   4.689676   5.169066   5.592885
    38  C    5.524155   6.827001   4.686859   4.159965   5.479914
    39  O    6.087159   7.474563   5.289967   4.545452   6.066870
    40  N    5.632347   6.559242   5.037830   4.732272   5.937509
    41  H    5.194091   6.657859   4.139853   3.710386   4.783122
    42  C    6.444185   7.096572   6.098914   5.742314   7.087493
    43  H    6.612664   7.383050   6.280829   5.750272   7.276102
    44  H    7.455284   8.060220   7.052674   6.729292   8.003523
    45  H    6.153256   6.500816   6.045978   5.815599   7.088670
    46  C    5.402805   6.118539   4.841537   4.859326   5.673005
    47  H    5.042728   5.985805   4.259421   4.358571   4.948172
    48  H    4.898018   5.298580   4.625816   4.775757   5.535428
    49  H    6.437094   7.020971   5.879202   5.936726   6.660343
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388010   0.000000
    23  H    3.826071   1.102394   0.000000
    24  H    3.605246   1.102666   1.790501   0.000000
    25  H    4.178760   1.098964   1.797349   1.794560   0.000000
    26  C    6.504972   6.420404   7.522474   6.140282   6.131937
    27  O    6.918834   7.316440   8.412614   6.983698   7.151108
    28  N    5.621686   5.534519   6.625839   5.458317   5.196055
    29  H    7.070430   6.479404   7.563460   6.118332   6.095570
    30  C    5.722592   4.838005   5.888494   4.893160   4.255363
    31  H    6.367550   5.478542   6.465116   5.700192   4.778434
    32  H    4.813195   3.789290   4.830672   3.953161   3.237569
    33  H    6.368036   5.047503   6.079596   4.940599   4.402303
    34  C    5.081900   5.774875   6.815353   5.852370   5.583313
    35  H    5.924858   6.623672   7.635464   6.802433   6.336649
    36  H    5.055324   6.221318   7.254394   6.173276   6.195542
    37  H    4.188926   4.960918   5.949612   5.179762   4.821067
    38  C    4.151645   6.245796   6.900745   5.692072   6.977013
    39  O    4.970473   6.556043   7.170567   5.826129   7.298105
    40  N    4.341928   6.477637   7.275211   6.025488   7.047275
    41  H    3.535854   6.045244   6.580768   5.622056   6.871969
    42  C    5.497848   7.125809   8.027042   6.579328   7.540729
    43  H    5.845998   7.089391   7.966559   6.396948   7.519558
    44  H    6.370036   8.198328   9.091457   7.672909   8.612382
    45  H    5.453336   6.834306   7.814788   6.368308   7.103640
    46  C    3.924584   6.502919   7.293716   6.292453   7.022346
    47  H    3.269122   6.238410   6.904549   6.116899   6.871194
    48  H    3.744977   6.003360   6.879010   5.878980   6.379614
    49  H    4.912193   7.573894   8.368353   7.384881   8.058013
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242604   0.000000
    28  N    1.360780   2.314144   0.000000
    29  H    1.107919   2.057691   2.057457   0.000000
    30  C    2.465496   3.633821   1.463292   2.562604   0.000000
    31  H    3.130917   4.219532   2.117035   3.256556   1.103028
    32  H    3.235256   4.328923   2.108574   3.396493   1.101537
    33  H    2.554020   3.796448   2.103223   2.163346   1.098585
    34  C    2.460903   2.846757   1.465706   3.413095   2.499907
    35  H    3.003854   3.282790   2.125322   3.930740   2.975344
    36  H    2.592732   2.516035   2.100715   3.662500   3.384716
    37  H    3.299634   3.819681   2.097465   4.120301   2.604804
    38  C    6.148758   5.916827   6.106932   6.727914   6.927663
    39  O    6.515424   6.297985   6.646760   6.926625   7.402174
    40  N    5.210460   4.834015   5.210803   5.933045   6.228035
    41  H    6.808013   6.665639   6.564769   7.431379   7.281078
    42  C    4.477482   3.877305   4.843969   5.145751   6.016498
    43  H    4.670433   4.173576   5.179210   5.123498   6.225679
    44  H    5.123422   4.303449   5.590004   5.838600   6.867049
    45  H    3.439436   2.827151   3.825208   4.197524   5.079659
    46  C    5.312546   4.967152   5.034838   6.204839   6.067625
    47  H    6.129237   5.922641   5.678239   6.987781   6.536444
    48  H    4.441531   4.217684   4.025242   5.380659   5.059136
    49  H    5.771941   5.223276   5.598969   6.733775   6.761876
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787414   0.000000
    33  H    1.798358   1.793681   0.000000
    34  C    2.818290   2.738564   3.422376   0.000000
    35  H    2.887512   3.379896   3.923187   1.103374   0.000000
    36  H    3.849157   3.586598   4.165575   1.097631   1.795563
    37  H    2.923087   2.392801   3.626109   1.099421   1.792303
    38  C    7.862469   6.525453   7.278696   5.794184   6.764356
    39  O    8.412759   7.034066   7.581006   6.574928   7.591112
    40  N    7.093405   5.978582   6.666890   4.770751   5.666946
    41  H    8.159536   6.744534   7.729826   6.096583   7.036136
    42  C    6.898662   6.014235   6.313127   4.651280   5.500399
    43  H    7.195848   6.219102   6.343433   5.265906   6.184686
    44  H    7.681616   6.948033   7.186956   5.287763   5.999549
    45  H    5.913590   5.194472   5.412272   3.668839   4.491735
    46  C    6.769643   5.781248   6.722633   4.208567   4.958585
    47  H    7.214319   6.080941   7.236289   4.794507   5.539080
    48  H    5.706525   4.816109   5.782999   3.118252   3.879766
    49  H    7.383651   6.591466   7.445499   4.659452   5.234129
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795656   0.000000
    38  C    5.058903   5.631069   0.000000
    39  O    5.874386   6.479643   1.242788   0.000000
    40  N    3.909186   4.770303   1.360667   2.316890   0.000000
    41  H    5.437446   5.751354   1.108813   2.057663   2.056041
    42  C    3.716942   4.968065   2.469309   2.867450   1.464196
    43  H    4.448629   5.572877   2.562864   2.457111   2.100224
    44  H    4.258223   5.702735   3.108423   3.481601   2.117747
    45  H    2.746238   4.126360   3.251548   3.741144   2.102106
    46  C    3.352800   4.090114   2.465394   3.635635   1.462750
    47  H    4.096827   4.434367   2.549213   3.790838   2.104800
    48  H    2.319026   3.008400   3.182108   4.263560   2.106548
    49  H    3.693487   4.693057   3.186731   4.292769   2.114331
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.416970   0.000000
    43  H    3.647442   1.097117   0.000000
    44  H    3.998772   1.102868   1.799091   0.000000
    45  H    4.082466   1.100758   1.795475   1.789258   0.000000
    46  C    2.558573   2.488964   3.396292   2.893034   2.640833
    47  H    2.151643   3.417373   4.186131   3.853880   3.657467
    48  H    3.333418   2.740565   3.639251   3.299438   2.432610
    49  H    3.316847   2.783747   3.813381   2.757968   2.967172
                   46         47         48         49
    46  C    0.000000
    47  H    1.099120   0.000000
    48  H    1.102769   1.795377   0.000000
    49  H    1.102396   1.798276   1.789985   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2137412      0.1903433      0.1862934
 Leave Link  202 at Mon Nov 14 01:03:30 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.9623613160 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1845151673 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.7778461487 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4052
 GePol: Average weight of points                     =       0.11
 GePol: Minimum weight of points                     =   0.11D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     231
 GePol: Fraction of low-weight points (<1% of avg)   =       5.70%
 GePol: Cavity surface area                          =    465.678 Ang**2
 GePol: Cavity volume                                =    457.957 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039564899 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.7738896588 Hartrees.
 Leave Link  301 at Mon Nov 14 01:03:30 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11976 LenP2D=   37519.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:03:31 2016, MaxMem=  2952790016 cpu:        14.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:03:32 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001115    0.002984   -0.000128
         Rot=    1.000000   -0.000017   -0.000058   -0.000070 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50896625538    
 Leave Link  401 at Mon Nov 14 01:03:38 2016, MaxMem=  2952790016 cpu:        78.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49256112.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.15D-14 for   2632.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.63D-15 for   2122   1094.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.40D-14 for   2632.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.86D-09 for   3791   2195.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.88D-15 for    149.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.18D-14 for   2295    114.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   2289.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.05D-15 for   2681    641.
 E= -1013.45091431840    
 DIIS: error= 3.82D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45091431840     IErMin= 1 ErrMin= 3.82D-04
 ErrMax= 3.82D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-04 BMatP= 1.09D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.82D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=6.24D-05 MaxDP=1.94D-03              OVMax= 2.82D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.24D-05    CP:  1.00D+00
 E= -1013.45110929936     Delta-E=       -0.000194980957 Rises=F Damp=F
 DIIS: error= 5.73D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45110929936     IErMin= 2 ErrMin= 5.73D-05
 ErrMax= 5.73D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-06 BMatP= 1.09D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-01 0.982D+00
 Coeff:      0.182D-01 0.982D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.86D-06 MaxDP=6.19D-04 DE=-1.95D-04 OVMax= 7.97D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.58D-06    CP:  1.00D+00  9.63D-01
 E= -1013.45110638798     Delta-E=        0.000002911381 Rises=F Damp=F
 DIIS: error= 1.37D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45110929936     IErMin= 2 ErrMin= 5.73D-05
 ErrMax= 1.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.98D-06 BMatP= 1.61D-06
 IDIUse=3 WtCom= 4.60D-01 WtEn= 5.40D-01
 Coeff-Com:  0.225D-02 0.650D+00 0.348D+00
 Coeff-En:   0.000D+00 0.722D+00 0.278D+00
 Coeff:      0.103D-02 0.689D+00 0.310D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.08D-06 MaxDP=4.72D-04 DE= 2.91D-06 OVMax= 6.72D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.37D-06    CP:  1.00D+00  9.74D-01  4.78D-01
 E= -1013.45111057697     Delta-E=       -0.000004188989 Rises=F Damp=F
 DIIS: error= 1.65D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45111057697     IErMin= 4 ErrMin= 1.65D-05
 ErrMax= 1.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-07 BMatP= 1.61D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-03 0.307D+00 0.198D+00 0.496D+00
 Coeff:     -0.103D-03 0.307D+00 0.198D+00 0.496D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.88D-06 MaxDP=1.33D-04 DE=-4.19D-06 OVMax= 1.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.12D-06    CP:  1.00D+00  9.79D-01  4.70D-01  5.60D-01
 E= -1013.45111075614     Delta-E=       -0.000000179178 Rises=F Damp=F
 DIIS: error= 9.61D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45111075614     IErMin= 5 ErrMin= 9.61D-06
 ErrMax= 9.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.84D-08 BMatP= 2.79D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.607D-04 0.158D+00 0.110D+00 0.358D+00 0.373D+00
 Coeff:     -0.607D-04 0.158D+00 0.110D+00 0.358D+00 0.373D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.63D-07 MaxDP=4.56D-05 DE=-1.79D-07 OVMax= 7.26D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.82D-07    CP:  1.00D+00  9.79D-01  4.56D-01  5.94D-01  5.45D-01
 E= -1013.45111081912     Delta-E=       -0.000000062973 Rises=F Damp=F
 DIIS: error= 5.43D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45111081912     IErMin= 6 ErrMin= 5.43D-07
 ErrMax= 5.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-10 BMatP= 7.84D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-04 0.411D-01 0.293D-01 0.102D+00 0.128D+00 0.700D+00
 Coeff:     -0.179D-04 0.411D-01 0.293D-01 0.102D+00 0.128D+00 0.700D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.21D-08 MaxDP=4.80D-06 DE=-6.30D-08 OVMax= 3.24D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.81D-08    CP:  1.00D+00  9.79D-01  4.57D-01  5.97D-01  5.52D-01
                    CP:  8.94D-01
 E= -1013.45111081929     Delta-E=       -0.000000000169 Rises=F Damp=F
 DIIS: error= 2.31D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45111081929     IErMin= 7 ErrMin= 2.31D-07
 ErrMax= 2.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.61D-11 BMatP= 3.29D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-04 0.110D-01 0.812D-02 0.297D-01 0.420D-01 0.366D+00
 Coeff-Com:  0.543D+00
 Coeff:     -0.111D-04 0.110D-01 0.812D-02 0.297D-01 0.420D-01 0.366D+00
 Coeff:      0.543D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.40D-08 MaxDP=1.72D-06 DE=-1.69D-10 OVMax= 1.21D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.91D-08    CP:  1.00D+00  9.79D-01  4.58D-01  5.96D-01  5.52D-01
                    CP:  9.02D-01  8.00D-01
 E= -1013.45111081939     Delta-E=       -0.000000000102 Rises=F Damp=F
 DIIS: error= 3.72D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45111081939     IErMin= 8 ErrMin= 3.72D-08
 ErrMax= 3.72D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.03D-12 BMatP= 6.61D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.471D-05 0.140D-02 0.110D-02 0.448D-02 0.747D-02 0.990D-01
 Coeff-Com:  0.235D+00 0.651D+00
 Coeff:     -0.471D-05 0.140D-02 0.110D-02 0.448D-02 0.747D-02 0.990D-01
 Coeff:      0.235D+00 0.651D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.19D-09 MaxDP=3.42D-07 DE=-1.02D-10 OVMax= 5.39D-07

 Error on total polarization charges =  0.04269
 SCF Done:  E(RB97D) =  -1013.45111082     A.U. after    8 cycles
            NFock=  8  Conv=0.82D-08     -V/T= 2.0213
 KE= 9.923560546681D+02 PE=-6.026954706627D+03 EE= 2.173373651480D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.48
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:05:21 2016, MaxMem=  2952790016 cpu:      1177.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11976 LenP2D=   37519.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     364
 Leave Link  701 at Mon Nov 14 01:05:30 2016, MaxMem=  2952790016 cpu:        97.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:05:30 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:06:06 2016, MaxMem=  2952790016 cpu:       439.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.49341145D+00-2.76713923D+00 3.41900722D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000091041    0.000155993    0.000560567
      2        6           0.000055236    0.000091405   -0.000043386
      3        8           0.000048301    0.000005102    0.000046210
      4        7           0.000087159    0.000000007   -0.000088810
      5        1           0.000038521    0.000025510    0.000056129
      6        6           0.000041080   -0.000041787    0.000022719
      7        1           0.000070813    0.000076721   -0.000042145
      8        1           0.000018300   -0.000006562   -0.000074342
      9        1           0.000043434   -0.000007006    0.000051193
     10        6           0.000042888    0.000075738   -0.000017049
     11        1           0.000025357    0.000055385    0.000003591
     12        1           0.000018834    0.000018065    0.000035647
     13        1           0.000043887    0.000023379    0.000034529
     14        6          -0.000079272    0.000055300    0.000071257
     15        8          -0.000026188   -0.000056354   -0.000048800
     16        7          -0.000072141    0.000001092    0.000018104
     17        1          -0.000004580    0.000028252   -0.000035928
     18        6           0.000029779    0.000143679   -0.000067658
     19        1          -0.000046170    0.000085434    0.000018621
     20        1          -0.000013208    0.000011707   -0.000067366
     21        1          -0.000085932   -0.000134296   -0.000006446
     22        6          -0.000024962    0.000015763   -0.000010420
     23        1           0.000010886    0.000046832   -0.000091941
     24        1           0.000004062    0.000057420   -0.000040861
     25        1           0.000003713    0.000009846   -0.000021236
     26        6           0.000026623   -0.000103937   -0.000025911
     27        8          -0.000061003    0.000003868    0.000029832
     28        7          -0.000043913    0.000057501    0.000024065
     29        1           0.000066738    0.000007764    0.000072683
     30        6           0.000065333   -0.000000993    0.000041353
     31        1          -0.000006003   -0.000009015    0.000028660
     32        1           0.000027682    0.000027867    0.000087484
     33        1          -0.000015267    0.000001325    0.000017913
     34        6           0.000033560   -0.000079791   -0.000030426
     35        1          -0.000023499   -0.000066027    0.000000961
     36        1           0.000052778   -0.000022639    0.000103211
     37        1          -0.000105239    0.000037962   -0.000064948
     38        6          -0.000122233   -0.000119313   -0.000412507
     39        8          -0.000182860   -0.000026623    0.000205030
     40        7           0.000087195   -0.000027708    0.000073223
     41        1           0.000056550   -0.000069170   -0.000028899
     42        6           0.000081267    0.000148793   -0.000419655
     43        1          -0.000062373    0.000044422    0.000073398
     44        1          -0.000002506   -0.000022462    0.000078270
     45        1           0.000189528   -0.000048675    0.000022528
     46        6          -0.000100267   -0.000158697   -0.000063510
     47        1           0.000035406   -0.000075693   -0.000085560
     48        1          -0.000104546   -0.000192778    0.000011896
     49        1          -0.000031708   -0.000042603   -0.000001272
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000560567 RMS     0.000093998
 Leave Link  716 at Mon Nov 14 01:06:07 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000195524 RMS     0.000028282
 Search for a local minimum.
 Step number  18 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .28282D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   15   16   17   18
 DE= -2.53D-05 DEPred=-1.12D-05 R= 2.26D+00
 TightC=F SS=  1.41D+00  RLast= 1.22D-01 DXNew= 2.2445D+00 3.6606D-01
 Trust test= 2.26D+00 RLast= 1.22D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00050   0.00130   0.00326   0.00356   0.00368
     Eigenvalues ---    0.00405   0.00503   0.00619   0.00684   0.00741
     Eigenvalues ---    0.00772   0.00872   0.00912   0.00931   0.00984
     Eigenvalues ---    0.01025   0.01027   0.01056   0.01204   0.01265
     Eigenvalues ---    0.01354   0.01360   0.01422   0.01518   0.01541
     Eigenvalues ---    0.01602   0.01652   0.01771   0.01807   0.01866
     Eigenvalues ---    0.01902   0.01948   0.02040   0.02052   0.02147
     Eigenvalues ---    0.02200   0.02249   0.02276   0.02669   0.02783
     Eigenvalues ---    0.02917   0.03191   0.03469   0.03644   0.04182
     Eigenvalues ---    0.04289   0.04461   0.04902   0.05232   0.05627
     Eigenvalues ---    0.05759   0.06043   0.06072   0.06226   0.06743
     Eigenvalues ---    0.06940   0.07235   0.07492   0.07751   0.07813
     Eigenvalues ---    0.07967   0.08147   0.08243   0.08442   0.08520
     Eigenvalues ---    0.08549   0.08684   0.08763   0.08850   0.08939
     Eigenvalues ---    0.09052   0.09141   0.09766   0.09904   0.10011
     Eigenvalues ---    0.10030   0.10089   0.10224   0.10454   0.10538
     Eigenvalues ---    0.10556   0.10596   0.10685   0.11252   0.11384
     Eigenvalues ---    0.11541   0.11649   0.11738   0.12413   0.13304
     Eigenvalues ---    0.13503   0.14470   0.14665   0.15320   0.15682
     Eigenvalues ---    0.16179   0.16466   0.21991   0.23243   0.23761
     Eigenvalues ---    0.24143   0.24672   0.25171   0.25814   0.26562
     Eigenvalues ---    0.26999   0.27894   0.28773   0.29294   0.29807
     Eigenvalues ---    0.29921   0.30048   0.32721   0.32734   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33424   0.33455   0.33502   0.33688
     Eigenvalues ---    0.33792   0.33830   0.33833   0.33889   0.33915
     Eigenvalues ---    0.33955   0.34001   0.34143   0.37240   0.39396
     Eigenvalues ---    0.40597   0.41640   0.85943   0.85989   0.86093
     Eigenvalues ---    0.87528
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    18   17   16   15   14
 RFO step:  Lambda=-2.69501679D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.82D-05 SmlDif=  1.00D-05
 RMS Error=  0.1483189033D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.44514   -2.08071    0.06019    1.34424   -0.76886
 Iteration  1 RMS(Cart)=  0.00341447 RMS(Int)=  0.00006202
 Iteration  2 RMS(Cart)=  0.00001036 RMS(Int)=  0.00005767
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005767
 ITry= 1 IFail=0 DXMaxC= 2.59D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.63885   0.00002  -0.00652  -0.00134  -0.00785   6.63100
    R2        6.21768   0.00006   0.00307   0.00090   0.00396   6.22164
    R3        7.02036   0.00008   0.00558   0.00367   0.00923   7.02960
    R4        6.06516   0.00004   0.00584   0.00381   0.00966   6.07482
    R5        6.58014   0.00002   0.00217  -0.00011   0.00206   6.58220
    R6        5.93059   0.00002   0.00297  -0.00005   0.00292   5.93351
    R7        6.72853   0.00002   0.00009  -0.00043  -0.00033   6.72819
    R8        6.22956  -0.00001   0.00011   0.00025   0.00035   6.22991
    R9        6.62509   0.00004   0.00173   0.00146   0.00317   6.62826
   R10        6.07871   0.00000  -0.00153  -0.00106  -0.00259   6.07612
   R11        6.99239  -0.00006  -0.00282  -0.00102  -0.00384   6.98855
   R12        6.05114  -0.00003  -0.00402  -0.00157  -0.00560   6.04554
   R13        6.91406   0.00005  -0.00159   0.00017  -0.00143   6.91263
   R14        6.19539   0.00004   0.00158   0.00036   0.00191   6.19730
   R15        6.86830   0.00002   0.00203   0.00055   0.00254   6.87084
   R16        5.94770  -0.00001   0.00226   0.00086   0.00313   5.95083
   R17        6.66786   0.00001   0.00312   0.00043   0.00353   6.67139
   R18        6.67079  -0.00003  -0.00213  -0.00120  -0.00326   6.66754
   R19        6.22947  -0.00012  -0.00649  -0.00196  -0.00862   6.22085
   R20        6.68850   0.00003  -0.00796  -0.00152  -0.00988   6.67863
   R21        6.00829   0.00000   0.00048  -0.00071   0.00026   6.00855
   R22        6.93611  -0.00020  -0.01745  -0.00313  -0.02083   6.91528
   R23        5.97789  -0.00007  -0.02342  -0.00388  -0.02721   5.95068
   R24        2.34838  -0.00001  -0.00007   0.00002  -0.00006   2.34832
   R25        2.57337  -0.00003   0.00024  -0.00001   0.00021   2.57358
   R26        2.09475   0.00001  -0.00010   0.00016   0.00006   2.09481
   R27        2.76590  -0.00003   0.00042  -0.00008   0.00033   2.76622
   R28        2.76789  -0.00005   0.00020  -0.00012   0.00008   2.76798
   R29        2.07621   0.00001   0.00004   0.00000   0.00004   2.07625
   R30        2.08278  -0.00002   0.00001  -0.00003  -0.00003   2.08276
   R31        2.08294  -0.00001  -0.00009   0.00001  -0.00008   2.08287
   R32        2.08084  -0.00001   0.00005   0.00005   0.00010   2.08094
   R33        2.07455   0.00000  -0.00005   0.00003  -0.00002   2.07454
   R34        2.08357   0.00000  -0.00005  -0.00001  -0.00006   2.08351
   R35        2.34898  -0.00003  -0.00005  -0.00002  -0.00007   2.34890
   R36        2.57087   0.00001   0.00011   0.00000   0.00013   2.57100
   R37        2.09365   0.00000   0.00003  -0.00002   0.00002   2.09367
   R38        2.76921  -0.00001   0.00010  -0.00015  -0.00004   2.76917
   R39        2.76470   0.00003   0.00017  -0.00007   0.00015   2.76485
   R40        2.08124   0.00001   0.00001   0.00007   0.00009   2.08133
   R41        2.08390   0.00000  -0.00003   0.00001  -0.00002   2.08389
   R42        2.07495  -0.00003  -0.00008  -0.00010  -0.00018   2.07478
   R43        2.08322   0.00000  -0.00001   0.00000  -0.00001   2.08321
   R44        2.08374   0.00000  -0.00005   0.00002  -0.00009   2.08365
   R45        2.07674   0.00000   0.00001  -0.00002  -0.00001   2.07673
   R46        2.34818   0.00002   0.00002   0.00004   0.00006   2.34825
   R47        2.57150  -0.00005  -0.00003   0.00008   0.00007   2.57157
   R48        2.09366   0.00000  -0.00002   0.00000  -0.00002   2.09364
   R49        2.76522  -0.00003  -0.00002  -0.00001   0.00001   2.76523
   R50        2.76978  -0.00003  -0.00002  -0.00022  -0.00024   2.76955
   R51        2.08442   0.00000   0.00000   0.00000   0.00000   2.08442
   R52        2.08160  -0.00003  -0.00010   0.00011   0.00013   2.08173
   R53        2.07603   0.00000   0.00000  -0.00001   0.00000   2.07602
   R54        2.08507   0.00000   0.00001   0.00002   0.00002   2.08510
   R55        2.07422  -0.00001  -0.00025   0.00011  -0.00014   2.07408
   R56        2.07761   0.00001   0.00004   0.00003   0.00008   2.07768
   R57        2.34853  -0.00017  -0.00048   0.00018  -0.00029   2.34824
   R58        2.57129   0.00018   0.00021   0.00043   0.00068   2.57197
   R59        2.09535   0.00001  -0.00002   0.00009   0.00007   2.09543
   R60        2.76693   0.00013  -0.00006   0.00022   0.00042   2.76735
   R61        2.76420   0.00008  -0.00071   0.00065   0.00008   2.76428
   R62        2.07325  -0.00003   0.00009  -0.00019  -0.00010   2.07315
   R63        2.08412   0.00003   0.00000   0.00017   0.00017   2.08429
   R64        2.08013   0.00013  -0.00016   0.00050   0.00056   2.08070
   R65        2.07704  -0.00001  -0.00005  -0.00005  -0.00010   2.07693
   R66        2.08393  -0.00005   0.00016   0.00019   0.00026   2.08419
   R67        2.08323  -0.00001   0.00012  -0.00004   0.00009   2.08331
    A1        0.69425  -0.00002  -0.00006  -0.00020  -0.00027   0.69398
    A2        0.97878  -0.00003  -0.00027  -0.00035  -0.00063   0.97815
    A3        0.72144  -0.00001   0.00033   0.00010   0.00043   0.72187
    A4        1.01686  -0.00001   0.00021   0.00005   0.00026   1.01712
    A5        2.31021   0.00002   0.00053   0.00028   0.00080   2.31101
    A6        1.99018   0.00002   0.00047   0.00022   0.00070   1.99088
    A7        1.94845   0.00001   0.00026   0.00014   0.00040   1.94885
    A8        1.65201   0.00001   0.00051   0.00036   0.00088   1.65289
    A9        1.62323   0.00001   0.00031   0.00019   0.00049   1.62372
   A10        1.34144   0.00001   0.00027   0.00017   0.00045   1.34189
   A11        1.74501  -0.00002  -0.00002  -0.00011  -0.00013   1.74488
   A12        2.04057  -0.00002   0.00014  -0.00010   0.00004   2.04061
   A13        1.93305  -0.00001   0.00024  -0.00001   0.00023   1.93328
   A14        2.01002   0.00000   0.00047   0.00017   0.00063   2.01065
   A15        2.44142  -0.00002  -0.00002  -0.00013  -0.00015   2.44127
   A16        1.55143   0.00000   0.00091   0.00060   0.00152   1.55295
   A17        1.78416   0.00000   0.00057   0.00018   0.00074   1.78490
   A18        1.60438  -0.00002  -0.00054  -0.00050  -0.00103   1.60335
   A19        1.74015  -0.00002   0.00034  -0.00037  -0.00005   1.74010
   A20        2.19282   0.00003   0.00176   0.00054   0.00225   2.19506
   A21        2.42481   0.00004   0.00134   0.00076   0.00213   2.42694
   A22        0.66033  -0.00002  -0.00030  -0.00026  -0.00057   0.65976
   A23        0.66519  -0.00001  -0.00027  -0.00011  -0.00038   0.66481
   A24        2.37829   0.00001   0.00005   0.00005   0.00010   2.37838
   A25        2.19614   0.00001   0.00026   0.00007   0.00033   2.19647
   A26        2.29281   0.00000   0.00035   0.00007   0.00043   2.29323
   A27        2.02322   0.00001   0.00075   0.00038   0.00114   2.02436
   A28        1.79157   0.00000   0.00002   0.00000   0.00001   1.79158
   A29        1.54553   0.00000   0.00009   0.00002   0.00011   1.54564
   A30        1.34979  -0.00001  -0.00032  -0.00014  -0.00047   1.34932
   A31        1.64612  -0.00001  -0.00031  -0.00020  -0.00052   1.64560
   A32        1.59385  -0.00001  -0.00042  -0.00024  -0.00066   1.59319
   A33        1.74137  -0.00001  -0.00032  -0.00013  -0.00044   1.74094
   A34        2.04411  -0.00001  -0.00038  -0.00019  -0.00056   2.04355
   A35        1.77284   0.00002   0.00219   0.00123   0.00342   1.77627
   A36        1.87435   0.00001   0.00171   0.00071   0.00241   1.87676
   A37        1.55840  -0.00001   0.00052   0.00013   0.00067   1.55907
   A38        1.57959  -0.00002   0.00102   0.00014   0.00113   1.58072
   A39        2.25446   0.00004   0.00242   0.00068   0.00305   2.25751
   A40        2.36476   0.00005   0.00103   0.00080   0.00185   2.36661
   A41        0.70448  -0.00002  -0.00036  -0.00030  -0.00065   0.70382
   A42        0.77399  -0.00003  -0.00043  -0.00039  -0.00081   0.77318
   A43        2.67206   0.00000  -0.00050  -0.00031  -0.00080   2.67126
   A44        2.59549   0.00000  -0.00011  -0.00024  -0.00035   2.59514
   A45        2.63873  -0.00001   0.00031   0.00002   0.00033   2.63905
   A46        2.32892   0.00000   0.00059   0.00024   0.00084   2.32976
   A47        2.19011  -0.00001  -0.00034  -0.00031  -0.00066   2.18946
   A48        1.94887  -0.00001  -0.00022  -0.00026  -0.00048   1.94839
   A49        1.11765   0.00000  -0.00048  -0.00022  -0.00071   1.11694
   A50        1.47817  -0.00001  -0.00045  -0.00030  -0.00075   1.47742
   A51        1.58628  -0.00002  -0.00076  -0.00047  -0.00122   1.58505
   A52        1.82156  -0.00002  -0.00079  -0.00044  -0.00120   1.82036
   A53        1.79747   0.00000  -0.00027  -0.00011  -0.00037   1.79710
   A54        1.58727   0.00004   0.00301   0.00180   0.00481   1.59208
   A55        1.56490   0.00002   0.00234   0.00118   0.00351   1.56841
   A56        1.19434   0.00000   0.00117   0.00065   0.00185   1.19618
   A57        1.17942  -0.00001   0.00141   0.00048   0.00187   1.18129
   A58        1.89787   0.00005   0.00266   0.00092   0.00353   1.90141
   A59        1.96657   0.00006   0.00123   0.00105   0.00231   1.96888
   A60        0.84616  -0.00002   0.00001  -0.00008  -0.00007   0.84609
   A61        0.79332  -0.00003   0.00012  -0.00009   0.00003   0.79335
   A62        2.60188   0.00001  -0.00001   0.00011   0.00011   2.60198
   A63        2.75796   0.00000   0.00006  -0.00004   0.00003   2.75800
   A64        2.60114  -0.00001   0.00018  -0.00003   0.00015   2.60130
   A65        2.38357  -0.00001  -0.00016  -0.00016  -0.00033   2.38324
   A66        2.18368  -0.00002  -0.00012  -0.00019  -0.00031   2.18337
   A67        0.86755   0.00001  -0.00011   0.00003  -0.00008   0.86748
   A68        1.24249  -0.00001  -0.00001   0.00001   0.00000   1.24249
   A69        1.42914  -0.00001  -0.00026  -0.00012  -0.00037   1.42877
   A70        1.70028  -0.00002  -0.00032  -0.00010  -0.00038   1.69990
   A71        1.52467   0.00001   0.00012   0.00016   0.00028   1.52495
   A72        1.60751   0.00005   0.00263   0.00154   0.00418   1.61169
   A73        1.47657   0.00003   0.00204   0.00098   0.00303   1.47960
   A74        1.06315   0.00000   0.00119   0.00067   0.00190   1.06505
   A75        0.97071  -0.00001   0.00139   0.00055   0.00192   0.97263
   A76        1.73803   0.00006   0.00210   0.00059   0.00266   1.74069
   A77        1.74492   0.00006   0.00076   0.00083   0.00160   1.74652
   A78        1.98924   0.00002  -0.00001   0.00001  -0.00001   1.98923
   A79        1.92486   0.00002   0.00006  -0.00001   0.00005   1.92491
   A80        2.20036   0.00001   0.00000  -0.00010  -0.00009   2.20027
   A81        2.04864   0.00002   0.00052   0.00031   0.00084   2.04948
   A82        1.53743   0.00001  -0.00017  -0.00008  -0.00025   1.53717
   A83        1.36205   0.00001  -0.00008  -0.00007  -0.00014   1.36191
   A84        1.18629  -0.00001   0.00016   0.00008   0.00024   1.18653
   A85        1.37388  -0.00001   0.00007  -0.00004   0.00002   1.37389
   A86        1.21163   0.00000  -0.00009  -0.00012  -0.00021   1.21142
   A87        1.31937   0.00000  -0.00008  -0.00006  -0.00013   1.31925
   A88        1.80166  -0.00001  -0.00013  -0.00010  -0.00024   1.80143
   A89        2.20519   0.00001   0.00206   0.00120   0.00325   2.20844
   A90        2.26757   0.00000   0.00191   0.00085   0.00276   2.27033
   A91        1.89170  -0.00002   0.00101   0.00047   0.00150   1.89319
   A92        1.81196  -0.00003   0.00143   0.00052   0.00194   1.81390
   A93        2.58395   0.00003   0.00216   0.00053   0.00264   2.58659
   A94        2.54044   0.00003   0.00007   0.00039   0.00044   2.54088
   A95        1.89949   0.00003  -0.00009   0.00008  -0.00001   1.89948
   A96        1.96721   0.00003  -0.00005   0.00008   0.00003   1.96724
   A97        2.34067   0.00002  -0.00014  -0.00002  -0.00016   2.34051
   A98        2.28424   0.00002   0.00041   0.00039   0.00080   2.28504
   A99        1.63638   0.00002  -0.00026   0.00001  -0.00025   1.63614
   A100       1.53253   0.00001  -0.00015   0.00003  -0.00011   1.53242
   A101       0.88520  -0.00001   0.00031   0.00006   0.00036   0.88556
   A102       1.05647  -0.00001   0.00014  -0.00006   0.00008   1.05655
   A103       0.92961   0.00000  -0.00012  -0.00012  -0.00024   0.92937
   A104       1.09059   0.00000  -0.00019  -0.00006  -0.00023   1.09036
   A105       1.48408  -0.00001  -0.00005  -0.00011  -0.00017   1.48392
   A106       2.36126   0.00002   0.00258   0.00142   0.00401   2.36527
   A107       2.26564   0.00000   0.00218   0.00088   0.00306   2.26870
   A108       1.84300  -0.00002   0.00146   0.00066   0.00216   1.84516
   A109       1.67485  -0.00004   0.00158   0.00062   0.00221   1.67706
   A110       2.43513   0.00002   0.00144   0.00012   0.00155   2.43668
   A111       2.28660   0.00002  -0.00037   0.00004  -0.00037   2.28623
   A112       0.71313   0.00000  -0.00002  -0.00007  -0.00008   0.71304
   A113       1.00393   0.00000   0.00005  -0.00001   0.00003   1.00396
   A114       0.69223   0.00001   0.00018   0.00008   0.00027   0.69250
   A115       0.97839   0.00001   0.00022   0.00010   0.00032   0.97871
   A116       1.78898   0.00001   0.00018   0.00018   0.00035   1.78933
   A117       1.41106   0.00002   0.00003   0.00016   0.00018   1.41124
   A118       1.17451   0.00002   0.00026   0.00024   0.00049   1.17500
   A119       0.90192   0.00003   0.00031   0.00020   0.00047   0.90240
   A120       1.24306   0.00000  -0.00022  -0.00004  -0.00026   1.24280
   A121       2.02183  -0.00005  -0.00253  -0.00152  -0.00406   2.01778
   A122       2.02286  -0.00003  -0.00182  -0.00081  -0.00262   2.02025
   A123       2.33635   0.00000  -0.00042  -0.00005  -0.00049   2.33587
   A124       2.23235   0.00000  -0.00084   0.00012  -0.00069   2.23166
   A125       1.65020  -0.00005  -0.00248  -0.00074  -0.00317   1.64703
   A126       1.50334  -0.00006  -0.00161  -0.00100  -0.00263   1.50071
   A127       0.65518   0.00001   0.00013   0.00005   0.00017   0.65536
   A128       0.66010   0.00001   0.00022   0.00006   0.00029   0.66039
   A129       2.14373   0.00000   0.00027   0.00022   0.00048   2.14421
   A130       1.77621   0.00002   0.00008   0.00018   0.00026   1.77647
   A131       1.47662   0.00002   0.00034   0.00025   0.00058   1.47720
   A132       1.18471   0.00003   0.00043   0.00024   0.00063   1.18533
   A133       1.63494   0.00000  -0.00021  -0.00001  -0.00022   1.63472
   A134       1.88477  -0.00005  -0.00267  -0.00158  -0.00427   1.88050
   A135       2.04836  -0.00002  -0.00212  -0.00095  -0.00307   2.04528
   A136       2.46076   0.00000  -0.00122  -0.00058  -0.00183   2.45893
   A137       2.50742   0.00001  -0.00129  -0.00021  -0.00148   2.50593
   A138       1.77262  -0.00005  -0.00230  -0.00056  -0.00282   1.76980
   A139       1.72079  -0.00006  -0.00120  -0.00083  -0.00203   1.71876
   A140       0.70445   0.00000   0.00012  -0.00004   0.00008   0.70453
   A141       0.83869   0.00000   0.00007  -0.00003   0.00003   0.83872
   A142       2.48813   0.00001   0.00012   0.00010   0.00022   2.48835
   A143       2.10948   0.00002   0.00000   0.00011   0.00010   2.10958
   A144       1.87983   0.00002   0.00026   0.00016   0.00041   1.88023
   A145       1.59461   0.00003   0.00034   0.00013   0.00043   1.59504
   A146       1.84045   0.00001  -0.00014   0.00001  -0.00013   1.84031
   A147       1.45802  -0.00005  -0.00257  -0.00146  -0.00405   1.45397
   A148       1.66707  -0.00002  -0.00201  -0.00086  -0.00288   1.66419
   A149       2.09299   0.00000  -0.00141  -0.00071  -0.00215   2.09084
   A150       2.25867   0.00002  -0.00144  -0.00052  -0.00197   2.25670
   A151       1.48043  -0.00004  -0.00178  -0.00028  -0.00203   1.47840
   A152       1.53023  -0.00004  -0.00044  -0.00048  -0.00091   1.52931
   A153       0.76028   0.00001   0.00048   0.00027   0.00075   0.76103
   A154       0.76850   0.00001   0.00050   0.00033   0.00083   0.76933
   A155       2.79282   0.00001   0.00024   0.00018   0.00041   2.79323
   A156       2.41456   0.00002   0.00005   0.00013   0.00018   2.41474
   A157       2.12861   0.00003   0.00052   0.00034   0.00084   2.12945
   A158       1.83552   0.00003   0.00062   0.00033   0.00091   1.83643
   A159       2.15592   0.00001  -0.00033  -0.00014  -0.00048   2.15545
   A160       1.32604  -0.00006  -0.00277  -0.00166  -0.00444   1.32160
   A161       1.62648  -0.00003  -0.00231  -0.00118  -0.00351   1.62297
   A162       2.03034  -0.00001  -0.00202  -0.00125  -0.00330   2.02703
   A163       2.28286   0.00001  -0.00183  -0.00111  -0.00299   2.27987
   A164       1.56206  -0.00005  -0.00171  -0.00047  -0.00218   1.55988
   A165       1.69166  -0.00004  -0.00042  -0.00062  -0.00103   1.69063
   A166       2.12040   0.00000   0.00031   0.00022   0.00053   2.12093
   A167       1.82882   0.00001   0.00014   0.00015   0.00030   1.82913
   A168       1.44048   0.00002   0.00032   0.00020   0.00051   1.44099
   A169       1.16293   0.00003   0.00045   0.00023   0.00065   1.16357
   A170       1.85044   0.00000  -0.00014  -0.00003  -0.00017   1.85027
   A171       2.08537  -0.00005  -0.00223  -0.00137  -0.00366   2.08172
   A172       2.36499  -0.00002  -0.00187  -0.00090  -0.00278   2.36221
   A173       2.78641   0.00000  -0.00147  -0.00090  -0.00238   2.78403
   A174       2.16133  -0.00004  -0.00192  -0.00042  -0.00231   2.15902
   A175       2.12610  -0.00005  -0.00098  -0.00077  -0.00174   2.12436
   A176       2.21451   0.00000   0.00044   0.00023   0.00067   2.21518
   A177       2.00282   0.00001   0.00029   0.00017   0.00046   2.00328
   A178       1.59140   0.00002   0.00044   0.00021   0.00064   1.59204
   A179       1.34401   0.00003   0.00058   0.00026   0.00081   1.34482
   A180       2.10711   0.00000  -0.00006  -0.00002  -0.00008   2.10703
   A181       2.01352  -0.00005  -0.00188  -0.00113  -0.00309   2.01043
   A182       2.37362  -0.00001  -0.00166  -0.00082  -0.00252   2.37110
   A183       2.70142  -0.00001  -0.00160  -0.00106  -0.00266   2.69876
   A184       2.31190  -0.00004  -0.00153  -0.00024  -0.00176   2.31015
   A185       2.35457  -0.00004  -0.00065  -0.00063  -0.00128   2.35329
   A186       0.68966  -0.00002  -0.00002   0.00000   0.00000   0.68965
   A187       0.98016  -0.00003  -0.00013  -0.00001  -0.00010   0.98006
   A188       0.69803   0.00000   0.00001  -0.00002   0.00000   0.69804
   A189       2.05216   0.00005   0.00167   0.00097   0.00261   2.05478
   A190       1.69112   0.00002   0.00115   0.00055   0.00171   1.69283
   A191       1.34232   0.00001   0.00123   0.00082   0.00209   1.34441
   A192       1.04557  -0.00001   0.00075   0.00066   0.00145   1.04701
   A193       1.62162   0.00003   0.00009  -0.00029  -0.00019   1.62143
   A194       1.41174   0.00003  -0.00102  -0.00019  -0.00123   1.41052
   A195       0.66747  -0.00002  -0.00031  -0.00008  -0.00035   0.66712
   A196       2.22501   0.00004   0.00105   0.00060   0.00159   2.22660
   A197       1.82987   0.00001   0.00075   0.00042   0.00118   1.83105
   A198       1.57891   0.00000   0.00128   0.00089   0.00221   1.58113
   A199       1.26757  -0.00002   0.00057   0.00071   0.00133   1.26891
   A200       1.61774   0.00001  -0.00069  -0.00044  -0.00110   1.61664
   A201       1.34951   0.00001  -0.00152  -0.00046  -0.00200   1.34750
   A202       0.71242  -0.00002  -0.00036  -0.00016  -0.00051   0.71191
   A203       2.62577   0.00003   0.00067   0.00036   0.00088   2.62666
   A204       2.23184   0.00000   0.00047   0.00031   0.00079   2.23263
   A205       1.98952  -0.00001   0.00115   0.00086   0.00207   1.99158
   A206       1.67849  -0.00003   0.00048   0.00068   0.00121   1.67970
   A207       1.96041   0.00000  -0.00125  -0.00057  -0.00176   1.95864
   A208       1.67440  -0.00001  -0.00181  -0.00067  -0.00251   1.67189
   A209       0.83810  -0.00003  -0.00060  -0.00028  -0.00085   0.83725
   A210       2.71338   0.00000  -0.00092  -0.00056  -0.00160   2.71177
   A211       2.37669  -0.00001  -0.00029  -0.00003  -0.00030   2.37639
   A212       2.23521  -0.00002   0.00088   0.00078   0.00174   2.23695
   A213       1.92638  -0.00004   0.00015   0.00060   0.00083   1.92721
   A214       2.02056  -0.00003  -0.00194  -0.00076  -0.00263   2.01793
   A215       1.73637  -0.00004  -0.00211  -0.00093  -0.00308   1.73329
   A216       1.92590   0.00004   0.00050   0.00029   0.00077   1.92667
   A217       1.54685   0.00002   0.00050   0.00035   0.00087   1.54772
   A218       1.43655   0.00002   0.00128   0.00094   0.00225   1.43880
   A219       1.15325   0.00000   0.00036   0.00073   0.00114   1.15439
   A220       1.24826   0.00001  -0.00084  -0.00041  -0.00122   1.24705
   A221       0.96380   0.00001  -0.00146  -0.00048  -0.00195   0.96185
   A222       0.71363   0.00005   0.00051   0.00026   0.00081   0.71444
   A223       1.00691   0.00006   0.00091   0.00028   0.00112   1.00803
   A224       0.69788   0.00003   0.00109   0.00042   0.00153   0.69942
   A225       0.98528   0.00004   0.00160   0.00061   0.00217   0.98745
   A226       0.66023   0.00003   0.00047   0.00001   0.00045   0.66068
   A227       0.66311   0.00003   0.00138   0.00074   0.00208   0.66520
   A228       0.70404   0.00005   0.00155   0.00033   0.00185   0.70589
   A229       0.83536   0.00006   0.00147   0.00107   0.00250   0.83786
   A230       0.77913   0.00006   0.00042  -0.00018   0.00021   0.77934
   A231       0.78720   0.00007  -0.00015   0.00055   0.00040   0.78760
   A232       1.66317  -0.00006  -0.00259  -0.00093  -0.00351   1.65966
   A233       1.81337  -0.00002  -0.00175  -0.00014  -0.00188   1.81148
   A234       2.19216  -0.00004  -0.00016   0.00013  -0.00005   2.19211
   A235       2.12908   0.00003   0.00046  -0.00028   0.00022   2.12930
   A236       1.96164   0.00001  -0.00033   0.00013  -0.00021   1.96143
   A237       2.12148  -0.00001  -0.00029  -0.00006  -0.00035   2.12113
   A238       2.12423   0.00003   0.00001   0.00018   0.00021   2.12443
   A239       2.03652  -0.00002   0.00010  -0.00012  -0.00002   2.03650
   A240       1.76081   0.00005   0.00170   0.00140   0.00310   1.76390
   A241       2.60591  -0.00003  -0.00084  -0.00119  -0.00202   2.60389
   A242       1.91142   0.00002  -0.00046   0.00009  -0.00035   1.91107
   A243       1.91518  -0.00002   0.00050  -0.00002   0.00047   1.91565
   A244       1.92284   0.00000  -0.00056   0.00016  -0.00041   1.92243
   A245       1.90777   0.00002   0.00025  -0.00001   0.00025   1.90801
   A246       1.91020  -0.00003  -0.00061  -0.00014  -0.00075   1.90945
   A247       1.89629   0.00001   0.00089  -0.00009   0.00081   1.89710
   A248       1.36933  -0.00003  -0.00117  -0.00054  -0.00170   1.36763
   A249       1.90832   0.00000   0.00016  -0.00017   0.00001   1.90833
   A250       1.90787  -0.00001  -0.00011   0.00002  -0.00010   1.90778
   A251       1.92779  -0.00001  -0.00003   0.00000  -0.00003   1.92776
   A252       1.91039   0.00000  -0.00032   0.00006  -0.00027   1.91011
   A253       1.89543   0.00000  -0.00004   0.00009   0.00005   1.89548
   A254       1.91393   0.00002   0.00034  -0.00001   0.00033   1.91426
   A255       1.71329   0.00005   0.00057   0.00037   0.00094   1.71423
   A256       1.78678  -0.00004  -0.00058  -0.00049  -0.00106   1.78572
   A257       2.18954   0.00002   0.00007   0.00007   0.00013   2.18967
   A258       2.13030   0.00000  -0.00003   0.00001  -0.00002   2.13029
   A259       1.96315  -0.00002  -0.00004  -0.00007  -0.00011   1.96304
   A260       2.12208   0.00000   0.00024   0.00001   0.00025   2.12232
   A261       2.12454   0.00001  -0.00012   0.00004  -0.00006   2.12448
   A262       2.03653  -0.00001  -0.00013  -0.00006  -0.00020   2.03634
   A263       1.31721   0.00009   0.00227   0.00178   0.00405   1.32125
   A264       1.89799   0.00002   0.00017   0.00012   0.00027   1.89826
   A265       1.93273   0.00000  -0.00023   0.00010  -0.00012   1.93261
   A266       1.91013   0.00002  -0.00001  -0.00029  -0.00029   1.90984
   A267       1.89932   0.00000  -0.00004  -0.00003  -0.00006   1.89926
   A268       1.91174   0.00002  -0.00005   0.00028   0.00023   1.91197
   A269       1.91176  -0.00005   0.00016  -0.00018  -0.00002   1.91175
   A270       2.63972   0.00000   0.00033   0.00001   0.00034   2.64006
   A271       1.72520   0.00000  -0.00042  -0.00013  -0.00055   1.72465
   A272       1.92355  -0.00002   0.00012   0.00002   0.00015   1.92370
   A273       1.91463   0.00002   0.00006   0.00005   0.00011   1.91474
   A274       1.91396   0.00001   0.00001  -0.00002  -0.00002   1.91394
   A275       1.89513  -0.00001  -0.00008  -0.00010  -0.00017   1.89495
   A276       1.91055   0.00000  -0.00009   0.00004  -0.00005   1.91050
   A277       1.90582   0.00000  -0.00003   0.00001  -0.00002   1.90580
   A278       1.81652  -0.00003  -0.00118  -0.00043  -0.00160   1.81491
   A279       1.75296   0.00005   0.00033   0.00007   0.00040   1.75337
   A280       2.18881  -0.00002  -0.00004   0.00021   0.00017   2.18898
   A281       2.13078  -0.00001   0.00007  -0.00017  -0.00010   2.13069
   A282       1.96351   0.00003  -0.00003  -0.00005  -0.00008   1.96342
   A283       2.12202  -0.00002   0.00005   0.00013   0.00020   2.12222
   A284       2.11230   0.00005   0.00032   0.00017   0.00049   2.11279
   A285       2.04534  -0.00003  -0.00034  -0.00031  -0.00066   2.04468
   A286       2.69068   0.00000   0.00038   0.00032   0.00071   2.69139
   A287       1.66895  -0.00001  -0.00033  -0.00035  -0.00068   1.66826
   A288       1.92642   0.00000  -0.00018   0.00004  -0.00013   1.92629
   A289       1.91620  -0.00002  -0.00034  -0.00010  -0.00040   1.91580
   A290       1.91186  -0.00001   0.00014   0.00000   0.00013   1.91199
   A291       1.89096   0.00000   0.00017  -0.00002   0.00013   1.89109
   A292       1.91181   0.00001   0.00002   0.00004   0.00006   1.91187
   A293       1.90637   0.00002   0.00020   0.00003   0.00022   1.90659
   A294       1.31901   0.00007   0.00240   0.00142   0.00382   1.32284
   A295       1.17450  -0.00007  -0.00175  -0.00132  -0.00306   1.17144
   A296       1.93472  -0.00002  -0.00005  -0.00023  -0.00026   1.93446
   A297       1.90648   0.00002   0.00017  -0.00028  -0.00013   1.90635
   A298       1.90014  -0.00001   0.00006   0.00012   0.00013   1.90027
   A299       1.90819  -0.00002   0.00022   0.00021   0.00043   1.90862
   A300       1.90080   0.00004  -0.00028   0.00001  -0.00027   1.90053
   A301       1.91343   0.00000  -0.00011   0.00017   0.00009   1.91352
   A302       1.71026   0.00018   0.00315   0.00236   0.00555   1.71580
   A303       1.76773  -0.00008  -0.00342  -0.00127  -0.00463   1.76310
   A304       2.19333   0.00003   0.00089  -0.00012   0.00060   2.19393
   A305       2.12909  -0.00004  -0.00078   0.00044  -0.00020   2.12889
   A306       1.96052   0.00001  -0.00015  -0.00029  -0.00042   1.96010
   A307       2.12655   0.00002  -0.00055   0.00009  -0.00038   2.12617
   A308       2.12271  -0.00009  -0.00004   0.00012   0.00003   2.12274
   A309       2.03335   0.00007   0.00044  -0.00022   0.00020   2.03355
   A310       1.41798   0.00008  -0.00364  -0.00195  -0.00555   1.41243
   A311       2.93501  -0.00005   0.00461   0.00215   0.00663   2.94164
   A312       1.90815   0.00004   0.00047  -0.00033   0.00040   1.90855
   A313       1.92648   0.00004   0.00119   0.00043   0.00087   1.92735
   A314       1.90696  -0.00004   0.00043  -0.00105  -0.00096   1.90600
   A315       1.91506  -0.00003  -0.00104  -0.00006  -0.00087   1.91419
   A316       1.91208   0.00002   0.00091  -0.00013   0.00078   1.91286
   A317       1.89501  -0.00004  -0.00198   0.00114  -0.00022   1.89478
   A318       1.70811  -0.00006  -0.00042   0.00235   0.00195   1.71005
   A319       1.91415   0.00001   0.00082  -0.00053   0.00041   1.91456
   A320       1.91275   0.00005  -0.00025   0.00130   0.00084   1.91358
   A321       1.92397   0.00000   0.00057  -0.00058   0.00004   1.92401
   A322       1.90677  -0.00005  -0.00005   0.00031   0.00027   1.90704
   A323       1.91181   0.00002  -0.00006  -0.00034  -0.00042   1.91138
   A324       1.89419  -0.00004  -0.00106  -0.00015  -0.00114   1.89305
   A325       2.92723  -0.00002  -0.00001  -0.00021  -0.00023   2.92700
   A326       3.36337  -0.00001   0.00065  -0.00018   0.00044   3.36382
   A327       3.08159  -0.00001   0.00061  -0.00020   0.00040   3.08199
   A328       3.28326  -0.00001  -0.00082  -0.00055  -0.00137   3.28189
   A329       3.22897   0.00004   0.00243   0.00160   0.00403   3.23300
   A330       3.22720   0.00005   0.00261   0.00163   0.00425   3.23146
   A331       3.61991  -0.00004  -0.00048   0.00201   0.00153   3.62144
   A332       3.21343   0.00000  -0.00012  -0.00013  -0.00027   3.21316
   A333       3.07873   0.00002  -0.00121  -0.00087  -0.00210   3.07662
   A334       3.02508   0.00002  -0.00129  -0.00089  -0.00219   3.02289
   A335       3.23460   0.00001   0.00003   0.00015   0.00018   3.23478
   A336       3.08225   0.00000  -0.00043  -0.00048  -0.00091   3.08135
   A337       3.11245  -0.00002  -0.00092  -0.00059  -0.00148   3.11097
   A338       3.03689  -0.00002  -0.00485   0.00012  -0.00471   3.03218
    D1        2.75214  -0.00002   0.00008   0.00018   0.00025   2.75240
    D2       -1.35256  -0.00002  -0.00080  -0.00050  -0.00132  -1.35387
    D3        2.74388  -0.00001   0.00111   0.00082   0.00192   2.74581
    D4       -1.36082  -0.00001   0.00023   0.00014   0.00035  -1.36046
    D5        1.63421   0.00000   0.00090   0.00062   0.00152   1.63573
    D6       -2.47050   0.00000   0.00001  -0.00006  -0.00005  -2.47054
    D7        1.78940   0.00001   0.00096   0.00085   0.00181   1.79121
    D8       -2.31530   0.00001   0.00008   0.00017   0.00024  -2.31506
    D9        0.26902  -0.00001   0.00123   0.00086   0.00211   0.27113
   D10        2.44750  -0.00001   0.00035   0.00018   0.00054   2.44805
   D11       -0.00456  -0.00001   0.00120   0.00086   0.00207  -0.00249
   D12        2.17393  -0.00001   0.00031   0.00018   0.00050   2.17442
   D13       -0.46954  -0.00001   0.00123   0.00095   0.00219  -0.46735
   D14        1.70894  -0.00001   0.00035   0.00027   0.00062   1.70956
   D15       -0.58766  -0.00002   0.00095   0.00067   0.00162  -0.58605
   D16        1.59082  -0.00002   0.00006  -0.00001   0.00005   1.59087
   D17        0.17388   0.00000   0.00144   0.00095   0.00240   0.17628
   D18        2.35237   0.00000   0.00056   0.00027   0.00083   2.35319
   D19        0.12023  -0.00001   0.00137   0.00094   0.00231   0.12254
   D20        2.29872  -0.00001   0.00049   0.00025   0.00074   2.29946
   D21        2.31553  -0.00001   0.00184   0.00120   0.00304   2.31857
   D22       -1.78918  -0.00001   0.00095   0.00052   0.00147  -1.78770
   D23        2.06325   0.00001   0.00182   0.00121   0.00302   2.06627
   D24       -2.04145   0.00001   0.00094   0.00053   0.00146  -2.04000
   D25        1.62512   0.00002   0.00191   0.00124   0.00313   1.62826
   D26       -2.47958   0.00002   0.00102   0.00056   0.00156  -2.47802
   D27        1.31761   0.00003   0.00204   0.00127   0.00327   1.32088
   D28       -2.78709   0.00003   0.00115   0.00059   0.00170  -2.78539
   D29        2.25818  -0.00001   0.00163   0.00106   0.00268   2.26087
   D30       -1.84652  -0.00001   0.00075   0.00038   0.00111  -1.84540
   D31       -1.91121   0.00004   0.00368   0.00229   0.00598  -1.90523
   D32        0.26727   0.00005   0.00280   0.00161   0.00441   0.27168
   D33       -2.23330   0.00001   0.00316   0.00179   0.00496  -2.22834
   D34       -0.05481   0.00001   0.00227   0.00111   0.00339  -0.05142
   D35       -2.62298   0.00000   0.00300   0.00195   0.00499  -2.61799
   D36       -0.44449   0.00000   0.00211   0.00127   0.00342  -0.44107
   D37       -2.90484  -0.00002   0.00266   0.00182   0.00450  -2.90034
   D38       -0.72636  -0.00002   0.00177   0.00114   0.00293  -0.72343
   D39       -2.20605   0.00003   0.00251   0.00092   0.00342  -2.20263
   D40       -0.02757   0.00003   0.00163   0.00024   0.00185  -0.02572
   D41       -2.43969   0.00002   0.00038   0.00089   0.00129  -2.43840
   D42       -0.26121   0.00002  -0.00051   0.00021  -0.00028  -0.26149
   D43        1.31522  -0.00001  -0.00220  -0.00092  -0.00313   1.31209
   D44       -1.97995  -0.00001   0.00104   0.00006   0.00109  -1.97886
   D45        2.47575   0.00000  -0.00130  -0.00035  -0.00165   2.47410
   D46       -0.81942   0.00000   0.00193   0.00063   0.00257  -0.81685
   D47        2.93872   0.00001  -0.00120  -0.00012  -0.00132   2.93740
   D48       -0.35644   0.00001   0.00203   0.00086   0.00290  -0.35355
   D49        2.84625   0.00000  -0.00038  -0.00023  -0.00060   2.84565
   D50       -0.44891   0.00000   0.00285   0.00075   0.00361  -0.44530
   D51        2.03640   0.00000  -0.00008   0.00011   0.00003   2.03642
   D52       -1.25877   0.00000   0.00316   0.00110   0.00424  -1.25452
   D53        1.16028   0.00001   0.00000   0.00058   0.00058   1.16086
   D54       -2.13489   0.00001   0.00323   0.00156   0.00480  -2.13009
   D55        1.04151  -0.00001  -0.00112  -0.00030  -0.00142   1.04009
   D56       -2.25365  -0.00001   0.00211   0.00069   0.00280  -2.25085
   D57        2.02927   0.00000  -0.00054  -0.00006  -0.00061   2.02866
   D58       -1.26590   0.00000   0.00270   0.00092   0.00361  -1.26229
   D59        1.85183   0.00000  -0.00083  -0.00015  -0.00099   1.85084
   D60       -1.44334   0.00000   0.00241   0.00083   0.00323  -1.44011
   D61       -2.30801   0.00000  -0.00035   0.00016  -0.00020  -2.30821
   D62        0.68001   0.00000   0.00289   0.00114   0.00402   0.68403
   D63       -2.43199   0.00000  -0.00072  -0.00011  -0.00083  -2.43282
   D64        0.55603   0.00000   0.00252   0.00088   0.00339   0.55942
   D65       -2.83224   0.00001  -0.00067  -0.00012  -0.00080  -2.83304
   D66        0.15578   0.00001   0.00257   0.00086   0.00342   0.15920
   D67       -3.00911   0.00002  -0.00052  -0.00009  -0.00064  -3.00975
   D68       -0.02109   0.00002   0.00271   0.00090   0.00358  -0.01751
   D69       -2.14527  -0.00002  -0.00124  -0.00042  -0.00167  -2.14694
   D70        0.84275  -0.00002   0.00199   0.00056   0.00255   0.84530
   D71       -0.20550   0.00003  -0.00003   0.00032   0.00031  -0.20519
   D72        2.78252   0.00003   0.00320   0.00131   0.00453   2.78705
   D73       -0.60041   0.00000  -0.00019   0.00021   0.00004  -0.60037
   D74        2.38761   0.00000   0.00305   0.00119   0.00426   2.39187
   D75       -0.81569   0.00001   0.00071   0.00090   0.00166  -0.81403
   D76        2.17233   0.00001   0.00395   0.00189   0.00587   2.17821
   D77       -1.15132  -0.00001   0.00013   0.00079   0.00096  -1.15036
   D78        1.83670  -0.00001   0.00336   0.00178   0.00518   1.84188
   D79       -0.84294   0.00000  -0.00184  -0.00075  -0.00256  -0.84550
   D80        2.14508   0.00000   0.00139   0.00023   0.00166   2.14674
   D81       -1.14260  -0.00001  -0.00285  -0.00098  -0.00390  -1.14650
   D82        1.84542  -0.00001   0.00039   0.00001   0.00032   1.84574
   D83       -1.49744  -0.00001  -0.00019  -0.00023  -0.00042  -1.49786
   D84       -2.59113   0.00000  -0.00008  -0.00001  -0.00009  -2.59122
   D85       -2.94595   0.00001   0.00053   0.00036   0.00090  -2.94506
   D86        0.73074   0.00000   0.00052   0.00016   0.00069   0.73143
   D87        0.31271   0.00000   0.00049   0.00014   0.00063   0.31334
   D88       -0.06449  -0.00001   0.00055   0.00023   0.00079  -0.06370
   D89       -0.39388  -0.00002   0.00035   0.00009   0.00045  -0.39342
   D90        0.19097   0.00000   0.00042   0.00013   0.00055   0.19152
   D91       -0.03791   0.00000   0.00028   0.00009   0.00038  -0.03754
   D92        2.37721  -0.00001   0.00080   0.00040   0.00120   2.37841
   D93        2.03206   0.00001   0.00060   0.00032   0.00091   2.03297
   D94        1.63508   0.00001   0.00082   0.00038   0.00119   1.63627
   D95        1.34896   0.00002   0.00093   0.00039   0.00128   1.35024
   D96        2.04124  -0.00001   0.00023   0.00008   0.00031   2.04155
   D97       -2.00697   0.00005   0.00254   0.00145   0.00407  -2.00290
   D98       -2.50577   0.00001   0.00152   0.00078   0.00232  -2.50345
   D99       -2.73796   0.00001   0.00178   0.00116   0.00297  -2.73498
   D100      -3.05141  -0.00001   0.00081   0.00090   0.00175  -3.04966
   D101      -2.91187  -0.00001  -0.00193  -0.00094  -0.00279  -2.91466
   D102       2.84604  -0.00005  -0.00287  -0.00153  -0.00464   2.84140
   D103      -2.88470   0.00000   0.00024   0.00022   0.00046  -2.88424
   D104       1.20842   0.00000   0.00025   0.00024   0.00048   1.20891
   D105       2.84691   0.00000  -0.00058  -0.00003  -0.00061   2.84630
   D106       0.65685   0.00000  -0.00058  -0.00001  -0.00058   0.65626
   D107       2.35283   0.00000  -0.00057   0.00016  -0.00042   2.35242
   D108       0.16277   0.00000  -0.00056   0.00017  -0.00039   0.16238
   D109       1.77489   0.00002  -0.00003   0.00040   0.00036   1.77525
   D110      -0.41517   0.00002  -0.00003   0.00042   0.00038  -0.41479
   D111       2.61238   0.00000  -0.00005   0.00015   0.00009   2.61247
   D112       0.42232   0.00000  -0.00004   0.00016   0.00012   0.42244
   D113       2.28459   0.00000   0.00007   0.00010   0.00017   2.28476
   D114       0.09453   0.00000   0.00008   0.00012   0.00019   0.09472
   D115      -1.60972  -0.00001  -0.00004   0.00000  -0.00003  -1.60975
   D116       2.48340  -0.00001  -0.00003   0.00002  -0.00001   2.48340
   D117      -1.78111   0.00001   0.00060   0.00052   0.00113  -1.77998
   D118       2.31202   0.00001   0.00061   0.00053   0.00115   2.31317
   D119      -2.73552  -0.00001  -0.00012   0.00007  -0.00004  -2.73556
   D120       1.35761  -0.00001  -0.00012   0.00008  -0.00002   1.35759
   D121      -2.70980   0.00000   0.00006   0.00013   0.00021  -2.70960
   D122       1.38332   0.00000   0.00007   0.00015   0.00023   1.38355
   D123       1.36931   0.00001  -0.00030  -0.00002  -0.00031   1.36901
   D124      -0.82075   0.00001  -0.00029   0.00000  -0.00028  -0.82103
   D125       1.33427   0.00001  -0.00015   0.00012  -0.00002   1.33425
   D126      -0.85579   0.00001  -0.00014   0.00013   0.00000  -0.85578
   D127       1.68893   0.00000  -0.00017   0.00011  -0.00005   1.68888
   D128      -0.50113   0.00000  -0.00016   0.00013  -0.00002  -0.50115
   D129       1.81497  -0.00001  -0.00036  -0.00001  -0.00033   1.81463
   D130      -0.37509  -0.00001  -0.00035   0.00001  -0.00031  -0.37540
   D131       0.92803   0.00002   0.00018   0.00028   0.00047   0.92850
   D132      -1.26203   0.00002   0.00019   0.00030   0.00049  -1.26154
   D133      -0.88860  -0.00003  -0.00082  -0.00038  -0.00123  -0.88983
   D134      -3.07866  -0.00003  -0.00082  -0.00036  -0.00120  -3.07986
   D135      -0.44833  -0.00001  -0.00110  -0.00047  -0.00158  -0.44991
   D136      -2.63839  -0.00001  -0.00109  -0.00045  -0.00156  -2.63994
   D137      -0.09259  -0.00001  -0.00211  -0.00133  -0.00349  -0.09608
   D138      -2.28265  -0.00001  -0.00210  -0.00131  -0.00347  -2.28612
   D139       0.29721   0.00002  -0.00154  -0.00098  -0.00254   0.29467
   D140      -1.89285   0.00002  -0.00153  -0.00096  -0.00252  -1.89537
   D141      -0.27139  -0.00001   0.00016   0.00043   0.00058  -0.27081
   D142      -2.46145  -0.00001   0.00017   0.00045   0.00060  -2.46084
   D143      -0.02296  -0.00001   0.00116   0.00043   0.00162  -0.02134
   D144      -2.21302  -0.00001   0.00117   0.00045   0.00165  -2.21138
   D145      -2.47350   0.00000  -0.00043  -0.00090  -0.00133  -2.47483
   D146      -2.70963   0.00000  -0.00119  -0.00122  -0.00241  -2.71205
   D147      -2.36708  -0.00002  -0.00194  -0.00195  -0.00388  -2.37096
   D148       3.02896   0.00001  -0.00100  -0.00114  -0.00214   3.02682
   D149       2.65436   0.00001  -0.00094  -0.00110  -0.00204   2.65231
   D150       1.53195  -0.00002  -0.00097  -0.00121  -0.00217   1.52977
   D151       2.62835   0.00000  -0.00073  -0.00100  -0.00170   2.62664
   D152       2.99400   0.00000  -0.00065  -0.00095  -0.00159   2.99240
   D153       1.26902   0.00000  -0.00144  -0.00126  -0.00268   1.26634
   D154       1.30419   0.00000  -0.00110  -0.00109  -0.00218   1.30201
   D155       1.68400   0.00000  -0.00107  -0.00108  -0.00213   1.68186
   D156       1.75294  -0.00001  -0.00116  -0.00118  -0.00232   1.75062
   D157       0.94028   0.00001  -0.00068  -0.00093  -0.00160   0.93868
   D158      -0.96864  -0.00002  -0.00051  -0.00086  -0.00138  -0.97003
   D159      -0.63225   0.00000  -0.00062  -0.00105  -0.00170  -0.63395
   D160      -0.62935  -0.00002  -0.00175  -0.00185  -0.00360  -0.63295
   D161      -0.30749   0.00000  -0.00098  -0.00187  -0.00294  -0.31043
   D162      -0.26734   0.00001   0.00077  -0.00041   0.00033  -0.26701
   D163       0.01736   0.00002   0.00099  -0.00023   0.00080   0.01816
   D164      -1.27981   0.00000   0.00218   0.00096   0.00314  -1.27667
   D165       1.68670  -0.00001   0.00005   0.00007   0.00012   1.68681
   D166      -1.64407   0.00000   0.00161   0.00079   0.00240  -1.64167
   D167       1.32244   0.00000  -0.00052  -0.00010  -0.00062   1.32182
   D168      -1.71281   0.00000   0.00132   0.00061   0.00194  -1.71087
   D169       1.25371   0.00000  -0.00081  -0.00028  -0.00109   1.25262
   D170      -1.99131   0.00001   0.00202   0.00114   0.00317  -1.98814
   D171       0.97520   0.00001  -0.00012   0.00024   0.00014   0.97534
   D172      -1.99639   0.00000   0.00191   0.00089   0.00279  -1.99360
   D173       0.97012   0.00000  -0.00022   0.00000  -0.00023   0.96988
   D174      -2.29854   0.00001   0.00197   0.00091   0.00286  -2.29568
   D175       0.66797   0.00001  -0.00016   0.00001  -0.00016   0.66781
   D176       1.97197  -0.00001   0.00186   0.00082   0.00269   1.97466
   D177      -1.34471  -0.00001  -0.00027  -0.00007  -0.00033  -1.34504
   D178       0.82433   0.00000   0.00212   0.00098   0.00311   0.82744
   D179      -2.49234   0.00000  -0.00001   0.00008   0.00008  -2.49226
   D180       0.35372   0.00001   0.00258   0.00128   0.00388   0.35761
   D181      -2.96295   0.00000   0.00045   0.00039   0.00086  -2.96209
   D182      -3.08854   0.00001   0.00194   0.00092   0.00287  -3.08567
   D183      -0.12203   0.00001  -0.00020   0.00003  -0.00016  -0.12219
   D184       2.92887   0.00001   0.00190   0.00097   0.00287   2.93174
   D185      -0.38780   0.00001  -0.00023   0.00008  -0.00015  -0.38796
   D186       3.07391   0.00001   0.00197   0.00100   0.00297   3.07687
   D187      -0.24277   0.00001  -0.00016   0.00011  -0.00006  -0.24283
   D188       2.97564   0.00000   0.00188   0.00090   0.00277   2.97841
   D189      -0.34103   0.00000  -0.00025   0.00001  -0.00026  -0.34129
   D190       2.48534   0.00002   0.00209   0.00102   0.00311   2.48846
   D191      -0.83133   0.00001  -0.00004   0.00013   0.00009  -0.83124
   D192       0.29838   0.00000   0.00337   0.00169   0.00495   0.30333
   D193      -3.01830   0.00000   0.00123   0.00079   0.00193  -3.01637
   D194       0.65491   0.00000   0.00260   0.00104   0.00355   0.65846
   D195      -2.66176   0.00000   0.00047   0.00014   0.00053  -2.66124
   D196       0.53145  -0.00003   0.00026  -0.00064  -0.00023   0.53123
   D197      -2.78522  -0.00004  -0.00187  -0.00153  -0.00325  -2.78847
   D198       1.12052   0.00001   0.00350   0.00160   0.00505   1.12557
   D199      -2.19616   0.00001   0.00137   0.00071   0.00202  -2.19413
   D200       1.46167   0.00001   0.00380   0.00158   0.00543   1.46710
   D201      -1.85501   0.00001   0.00166   0.00069   0.00241  -1.85260
   D202       1.64178   0.00000  -0.00068  -0.00043  -0.00110   1.64067
   D203      -0.57632   0.00000  -0.00043  -0.00008  -0.00051  -0.57682
   D204       1.68692   0.00000   0.00000  -0.00010  -0.00010   1.68681
   D205      -0.53118   0.00000   0.00025   0.00025   0.00050  -0.53068
   D206       1.33611   0.00001   0.00047   0.00031   0.00078   1.33688
   D207      -0.88199   0.00001   0.00073   0.00065   0.00137  -0.88062
   D208       1.17288   0.00001   0.00019   0.00013   0.00032   1.17320
   D209      -1.04521   0.00002   0.00044   0.00048   0.00092  -1.04430
   D210       2.10713  -0.00001   0.00006  -0.00003   0.00003   2.10717
   D211      -0.11096  -0.00001   0.00032   0.00031   0.00063  -0.11033
   D212       2.22626  -0.00002   0.00024  -0.00004   0.00021   2.22646
   D213       0.00816  -0.00002   0.00050   0.00030   0.00080   0.00897
   D214      -2.23777   0.00001   0.00000  -0.00008  -0.00008  -2.23784
   D215       1.82732   0.00002   0.00025   0.00027   0.00052   1.82784
   D216      -2.42014   0.00001   0.00016  -0.00006   0.00009  -2.42006
   D217       1.64495   0.00001   0.00041   0.00028   0.00068   1.64563
   D218      -2.06271   0.00000   0.00031  -0.00005   0.00025  -2.06246
   D219       2.00237   0.00000   0.00057   0.00029   0.00085   2.00322
   D220      -2.25956   0.00002   0.00221   0.00123   0.00344  -2.25611
   D221       1.80553   0.00002   0.00247   0.00157   0.00404   1.80957
   D222      -2.89957   0.00000  -0.00022  -0.00021  -0.00044  -2.90001
   D223       1.16552   0.00000   0.00003   0.00014   0.00015   1.16567
   D224       3.05538  -0.00001  -0.00032  -0.00028  -0.00060   3.05478
   D225       0.83728  -0.00001  -0.00006   0.00007   0.00000   0.83728
   D226      -2.71076   0.00000  -0.00027  -0.00032  -0.00058  -2.71134
   D227       1.35433   0.00000  -0.00001   0.00003   0.00002   1.35435
   D228      -2.65709   0.00001  -0.00009  -0.00016  -0.00025  -2.65733
   D229       1.40800   0.00001   0.00016   0.00019   0.00035   1.40835
   D230      -1.55730  -0.00001  -0.00089  -0.00058  -0.00147  -1.55877
   D231       2.50779  -0.00001  -0.00064  -0.00024  -0.00087   2.50691
   D232       0.00118  -0.00001  -0.00202  -0.00127  -0.00334  -0.00216
   D233      -2.21692  -0.00001  -0.00177  -0.00093  -0.00274  -2.21966
   D234      -0.16917  -0.00001  -0.00150  -0.00071  -0.00220  -0.17137
   D235      -2.38726  -0.00001  -0.00125  -0.00036  -0.00161  -2.38887
   D236       0.07691   0.00001  -0.00035  -0.00008  -0.00043   0.07648
   D237      -2.14119   0.00001  -0.00009   0.00027   0.00017  -2.14102
   D238      -0.02497   0.00001  -0.00119  -0.00014  -0.00130  -0.02626
   D239      -2.24306   0.00001  -0.00094   0.00020  -0.00070  -2.24376
   D240      -0.57421  -0.00003  -0.00252  -0.00089  -0.00335  -0.57756
   D241      -2.79231  -0.00003  -0.00226  -0.00054  -0.00276  -2.79506
   D242      -0.77265  -0.00004  -0.00196  -0.00119  -0.00317  -0.77583
   D243      -2.99075  -0.00004  -0.00171  -0.00085  -0.00258  -2.99333
   D244      -2.89909  -0.00001  -0.00105  -0.00043  -0.00148  -2.90057
   D245       0.01622  -0.00001  -0.00045  -0.00037  -0.00082   0.01540
   D246      -3.11189   0.00000  -0.00069  -0.00018  -0.00088  -3.11277
   D247      -0.19658   0.00000  -0.00009  -0.00012  -0.00022  -0.19680
   D248       2.76793   0.00001  -0.00037   0.00010  -0.00027   2.76767
   D249      -0.59994   0.00001   0.00023   0.00016   0.00039  -0.59955
   D250       2.52993   0.00002  -0.00043   0.00005  -0.00038   2.52955
   D251      -0.83795   0.00002   0.00017   0.00011   0.00028  -0.83767
   D252      -2.90550   0.00000  -0.00034   0.00000  -0.00035  -2.90585
   D253       0.00981   0.00000   0.00026   0.00006   0.00031   0.01012
   D254      -3.07353   0.00000  -0.00008  -0.00004  -0.00013  -3.07367
   D255      -0.15822   0.00000   0.00052   0.00002   0.00052  -0.15770
   D256      -0.65625   0.00001  -0.00049  -0.00009  -0.00058  -0.65683
   D257       2.25906   0.00001   0.00010  -0.00003   0.00008   2.25914
   D258      -0.91504   0.00001  -0.00040  -0.00010  -0.00050  -0.91554
   D259       2.00028   0.00001   0.00020  -0.00004   0.00015   2.00043
   D260      -0.76387   0.00001  -0.00041  -0.00016  -0.00057  -0.76445
   D261       2.15144   0.00000   0.00019  -0.00010   0.00008   2.15153
   D262      -0.98276   0.00001   0.00015   0.00025   0.00040  -0.98235
   D263       1.93256   0.00001   0.00075   0.00031   0.00106   1.93362
   D264      -1.32144   0.00001  -0.00062  -0.00015  -0.00079  -1.32223
   D265       1.59387   0.00000  -0.00002  -0.00009  -0.00013   1.59374
   D266      -1.56590   0.00000  -0.00060  -0.00017  -0.00077  -1.56667
   D267       1.34941   0.00000   0.00000  -0.00011  -0.00011   1.34930
   D268       1.98228   0.00001  -0.00070  -0.00027  -0.00097   1.98131
   D269      -1.38559   0.00001  -0.00010  -0.00021  -0.00031  -1.38591
   D270       0.86514  -0.00001  -0.00101  -0.00037  -0.00137   0.86377
   D271      -2.50273  -0.00001  -0.00041  -0.00031  -0.00071  -2.50345
   D272       1.13640  -0.00004  -0.00523  -0.00277  -0.00800   1.12840
   D273      -2.23147  -0.00004  -0.00463  -0.00271  -0.00734  -2.23882
   D274       1.19256   0.00000  -0.00275  -0.00102  -0.00377   1.18879
   D275      -2.17531   0.00000  -0.00215  -0.00097  -0.00312  -2.17843
   D276       1.60381   0.00002  -0.00111  -0.00024  -0.00136   1.60244
   D277      -1.76407   0.00002  -0.00051  -0.00018  -0.00071  -1.76477
   D278       1.58916   0.00002  -0.00168  -0.00031  -0.00198   1.58719
   D279      -1.77871   0.00002  -0.00109  -0.00025  -0.00132  -1.78003
   D280       0.83561  -0.00004  -0.00273  -0.00059  -0.00328   0.83232
   D281      -2.53226  -0.00004  -0.00213  -0.00053  -0.00263  -2.53489
   D282       0.79731  -0.00004  -0.00143  -0.00086  -0.00230   0.79502
   D283      -2.57056  -0.00004  -0.00083  -0.00080  -0.00164  -2.57220
   D284       1.63036   0.00001  -0.00073  -0.00091  -0.00163   1.62873
   D285      -2.57716   0.00001  -0.00141  -0.00090  -0.00230  -2.57946
   D286       1.65497   0.00002  -0.00011  -0.00061  -0.00073   1.65424
   D287      -2.55256   0.00001  -0.00078  -0.00060  -0.00139  -2.55395
   D288       1.31379   0.00002   0.00027  -0.00028  -0.00002   1.31377
   D289      -2.89373   0.00002  -0.00041  -0.00027  -0.00068  -2.89441
   D290       1.23212   0.00002  -0.00023  -0.00061  -0.00084   1.23128
   D291      -2.97540   0.00002  -0.00090  -0.00060  -0.00151  -2.97691
   D292       2.03796   0.00000  -0.00014  -0.00061  -0.00075   2.03721
   D293      -2.16956   0.00000  -0.00081  -0.00059  -0.00141  -2.17097
   D294       2.02631  -0.00001  -0.00012  -0.00072  -0.00084   2.02547
   D295      -2.18121  -0.00001  -0.00079  -0.00071  -0.00150  -2.18271
   D296      -2.30513   0.00003  -0.00015  -0.00057  -0.00072  -2.30585
   D297      -0.22947   0.00003  -0.00082  -0.00056  -0.00139  -0.23086
   D298      -2.29327   0.00002  -0.00016  -0.00064  -0.00080  -2.29407
   D299      -0.21761   0.00002  -0.00083  -0.00063  -0.00147  -0.21907
   D300      -1.90950   0.00001  -0.00030  -0.00078  -0.00108  -1.91058
   D301       0.16616   0.00001  -0.00097  -0.00077  -0.00174   0.16441
   D302      -1.86716   0.00002   0.00019  -0.00038  -0.00019  -1.86735
   D303       0.20850   0.00001  -0.00048  -0.00037  -0.00085   0.20765
   D304      -2.64258   0.00001  -0.00039  -0.00074  -0.00113  -2.64371
   D305      -0.56692   0.00000  -0.00106  -0.00072  -0.00180  -0.56871
   D306      -2.78257   0.00000  -0.00032  -0.00075  -0.00106  -2.78363
   D307      -0.70691   0.00000  -0.00099  -0.00073  -0.00172  -0.70863
   D308       1.54243   0.00000  -0.00106  -0.00113  -0.00218   1.54024
   D309      -2.66510   0.00000  -0.00173  -0.00111  -0.00285  -2.66794
   D310       2.63942  -0.00001  -0.00082  -0.00100  -0.00181   2.63761
   D311      -1.56810  -0.00002  -0.00149  -0.00099  -0.00247  -1.57057
   D312       3.02005  -0.00001  -0.00063  -0.00082  -0.00141   3.01863
   D313      -1.18748  -0.00001  -0.00130  -0.00081  -0.00208  -1.18955
   D314      -0.36074  -0.00003  -0.00309  -0.00231  -0.00538  -0.36612
   D315       1.71492  -0.00003  -0.00376  -0.00229  -0.00604   1.70887
   D316      -0.24543  -0.00001  -0.00226  -0.00157  -0.00383  -0.24926
   D317       1.83023  -0.00001  -0.00293  -0.00156  -0.00449   1.82574
   D318       0.16749   0.00002  -0.00145  -0.00129  -0.00277   0.16472
   D319       2.24315   0.00001  -0.00212  -0.00128  -0.00343   2.23972
   D320       0.30230   0.00003  -0.00182  -0.00135  -0.00318   0.29912
   D321       2.37796   0.00003  -0.00249  -0.00133  -0.00384   2.37412
   D322      -0.53097  -0.00004  -0.00252  -0.00123  -0.00371  -0.53468
   D323       1.54469  -0.00004  -0.00319  -0.00122  -0.00437   1.54032
   D324      -0.58434  -0.00005  -0.00142  -0.00163  -0.00306  -0.58740
   D325       1.49133  -0.00005  -0.00209  -0.00161  -0.00373   1.48760
   D326      -0.02372   0.00002   0.00112   0.00054   0.00163  -0.02210
   D327       2.15782   0.00002   0.00049   0.00142   0.00186   2.15968
   D328       0.30880   0.00000   0.00075   0.00023   0.00097   0.30977
   D329       2.49035   0.00000   0.00013   0.00111   0.00120   2.49155
   D330       0.66964   0.00000   0.00088   0.00027   0.00119   0.67082
   D331       2.85119   0.00000   0.00026   0.00115   0.00142   2.85260
   D332       0.95362   0.00000   0.00068   0.00015   0.00088   0.95450
   D333       3.13517  -0.00001   0.00006   0.00103   0.00111   3.13628
   D334       0.30434  -0.00002  -0.00046  -0.00045  -0.00095   0.30339
   D335       2.48589  -0.00002  -0.00108   0.00043  -0.00072   2.48517
   D336       0.67225  -0.00002  -0.00030  -0.00016  -0.00044   0.67181
   D337       2.85380  -0.00002  -0.00093   0.00072  -0.00020   2.85359
   D338      -2.42683   0.00002   0.00104   0.00054   0.00163  -2.42521
   D339      -0.24529   0.00002   0.00041   0.00142   0.00186  -0.24343
   D340      -2.03008   0.00001   0.00053   0.00030   0.00091  -2.02917
   D341       0.15147   0.00001  -0.00009   0.00118   0.00115   0.15262
   D342      -1.97715   0.00001   0.00070   0.00038   0.00115  -1.97600
   D343       0.20440   0.00001   0.00008   0.00125   0.00138   0.20578
   D344      -1.68311   0.00001   0.00061   0.00025   0.00093  -1.68218
   D345       0.49844   0.00000  -0.00002   0.00113   0.00116   0.49960
   D346      -1.64380   0.00001   0.00010  -0.00001   0.00024  -1.64356
   D347       0.53775   0.00001  -0.00053   0.00087   0.00047   0.53822
   D348      -1.33063   0.00001  -0.00007  -0.00012  -0.00008  -1.33070
   D349       0.85092   0.00000  -0.00069   0.00076   0.00015   0.85108
   D350       1.73362   0.00001   0.00159   0.00081   0.00250   1.73612
   D351      -2.36801   0.00001   0.00097   0.00169   0.00273  -2.36529
   D352       2.13630   0.00002   0.00255   0.00125   0.00385   2.14015
   D353      -1.96534   0.00001   0.00192   0.00213   0.00408  -1.96125
   D354       2.30091   0.00004   0.00476   0.00254   0.00733   2.30824
   D355      -1.80073   0.00003   0.00413   0.00342   0.00756  -1.79316
   D356       2.92682   0.00006   0.00562   0.00305   0.00834   2.93516
   D357      -1.17481   0.00005   0.00500   0.00393   0.00857  -1.16625
   D358       2.48881   0.00002   0.00186   0.00089   0.00274   2.49156
   D359      -1.61282   0.00002   0.00123   0.00177   0.00297  -1.60985
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   D361      -2.48083  -0.00002  -0.00152  -0.00008  -0.00156  -2.48239
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   D363      -2.34125  -0.00002   0.00013   0.00054   0.00064  -2.34061
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   D367      -1.39252   0.00003  -0.00083   0.00094   0.00007  -1.39244
   D368       0.01988   0.00001  -0.00038   0.00084   0.00048   0.02035
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   D379      -1.74130  -0.00001   0.00284   0.00101   0.00384  -1.73746
   D380      -2.86580   0.00001   0.00117   0.00188   0.00311  -2.86269
   D381       0.65238   0.00001   0.00453   0.00224   0.00683   0.65921
   D382      -2.31070   0.00002   0.00111   0.00198   0.00309  -2.30760
   D383       1.20748   0.00001   0.00447   0.00234   0.00681   1.21429
   D384      -2.01211   0.00001   0.00013   0.00123   0.00136  -2.01074
   D385       1.50607   0.00001   0.00349   0.00159   0.00508   1.51115
   D386      -1.65832   0.00001  -0.00050   0.00080   0.00030  -1.65802
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   D388      -1.79468   0.00004   0.00138   0.00232   0.00355  -1.79113
   D389       1.72350   0.00003   0.00474   0.00267   0.00727   1.73077
   D390      -1.07005   0.00003  -0.00154   0.00046  -0.00107  -1.07112
   D391       2.44812   0.00003   0.00182   0.00082   0.00265   2.45077
   D392       1.76175   0.00000  -0.00028   0.00085   0.00057   1.76232
   D393      -1.00326  -0.00001   0.00308   0.00120   0.00429  -0.99897
   D394       2.06105  -0.00001  -0.00020   0.00077   0.00058   2.06163
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   D397      -0.75948  -0.00002   0.00325   0.00114   0.00441  -0.75506
   D398       2.19323  -0.00001   0.00027   0.00104   0.00136   2.19459
   D399      -0.57178  -0.00002   0.00363   0.00140   0.00508  -0.56670
   D400       2.46572  -0.00001  -0.00046   0.00070   0.00026   2.46597
   D401      -0.29929  -0.00001   0.00290   0.00105   0.00398  -0.29532
   D402      -1.48247  -0.00002  -0.00251  -0.00069  -0.00314  -1.48560
   D403       2.03571  -0.00002   0.00085  -0.00033   0.00058   2.03629
   D404      -2.58836   0.00001  -0.00288  -0.00098  -0.00384  -2.59220
   D405       0.92981   0.00000   0.00047  -0.00062  -0.00012   0.92969
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   D407       0.55864   0.00001   0.00016  -0.00003   0.00018   0.55882
   D408       1.81987  -0.00001   0.00301   0.00047   0.00350   1.82336
   D409       2.31667   0.00000   0.00419   0.00076   0.00496   2.32162
   D410       2.53447   0.00000   0.00426   0.00068   0.00495   2.53942
   D411       2.77766   0.00000   0.00375   0.00031   0.00405   2.78171
   D412       2.75179   0.00001   0.00560   0.00129   0.00684   2.75863
   D413      -3.05015   0.00001   0.00609   0.00119   0.00718  -3.04297
   D414      -0.84570   0.00001   0.00349   0.00034   0.00384  -0.84186
   D415      -0.46925   0.00000   0.00332   0.00028   0.00361  -0.46564
   D416      -0.15223   0.00001   0.00366   0.00038   0.00404  -0.14819
   D417       0.15537   0.00001   0.00354   0.00033   0.00386   0.15923
   D418      -0.34318   0.00000   0.00273  -0.00001   0.00275  -0.34042
   D419      -0.03150  -0.00001   0.00208  -0.00020   0.00191  -0.02959
   D420      -2.63982   0.00000   0.00349   0.00024   0.00373  -2.63609
   D421      -2.25986  -0.00001   0.00361   0.00024   0.00385  -2.25601
   D422      -2.02029   0.00000   0.00413   0.00034   0.00446  -2.01583
   D423      -1.70582   0.00000   0.00394   0.00030   0.00428  -1.70154
   D424      -2.04065  -0.00001   0.00295   0.00018   0.00315  -2.03750
   D425       1.35072  -0.00002   0.00180  -0.00157   0.00014   1.35086
   D426       2.49531   0.00000   0.00066  -0.00169  -0.00105   2.49426
   D427       2.94521   0.00000   0.00165  -0.00126   0.00038   2.94559
   D428      -3.07126   0.00003   0.00174  -0.00018   0.00155  -3.06971
   D429       0.02186   0.00002  -0.00219  -0.00034  -0.00253   0.01933
   D430       0.04430  -0.00003   0.00060  -0.00073  -0.00012   0.04418
   D431       3.13742  -0.00004  -0.00333  -0.00088  -0.00421   3.13322
   D432      -0.02919  -0.00006  -0.00597  -0.00164  -0.00762  -0.03680
   D433       2.06497  -0.00003  -0.00564  -0.00160  -0.00724   2.05773
   D434      -2.13110  -0.00003  -0.00458  -0.00162  -0.00621  -2.13731
   D435      -3.12463  -0.00005  -0.00223  -0.00150  -0.00373  -3.12837
   D436      -1.03048  -0.00002  -0.00190  -0.00146  -0.00336  -1.03384
   D437       1.05663  -0.00002  -0.00084  -0.00149  -0.00233   1.05431
   D438      -2.35048   0.00001   0.00405   0.00087   0.00492  -2.34556
   D439      -0.25948   0.00000   0.00368   0.00085   0.00454  -0.25494
   D440       1.84789   0.00001   0.00402   0.00085   0.00487   1.85276
   D441       0.74489   0.00000   0.00028   0.00072   0.00101   0.74590
   D442       2.83589  -0.00001  -0.00008   0.00071   0.00063   2.83652
   D443      -1.33992   0.00000   0.00026   0.00071   0.00096  -1.33896
   D444      -0.01171   0.00002   0.00003   0.00023   0.00027  -0.01144
   D445       3.11975   0.00002  -0.00074  -0.00011  -0.00084   3.11891
   D446      -3.13247   0.00001  -0.00005   0.00003  -0.00002  -3.13249
   D447      -0.00100   0.00002  -0.00082  -0.00031  -0.00113  -0.00214
   D448       2.46377  -0.00002  -0.00208  -0.00186  -0.00394   2.45983
   D449      -1.73328  -0.00002  -0.00216  -0.00176  -0.00393  -1.73721
   D450       0.37599  -0.00007  -0.00212  -0.00210  -0.00422   0.37178
   D451      -0.66818  -0.00003  -0.00135  -0.00154  -0.00289  -0.67107
   D452       1.41795  -0.00002  -0.00143  -0.00144  -0.00287   1.41508
   D453      -2.75596  -0.00007  -0.00138  -0.00178  -0.00316  -2.75911
   D454       2.06514   0.00000   0.00063   0.00068   0.00131   2.06645
   D455      -2.13227  -0.00001   0.00064   0.00060   0.00126  -2.13101
   D456      -0.03927   0.00000   0.00065   0.00063   0.00129  -0.03798
   D457      -1.08611   0.00000  -0.00010   0.00036   0.00025  -1.08586
   D458       0.99967  -0.00001  -0.00009   0.00028   0.00020   0.99987
   D459       3.09267   0.00001  -0.00008   0.00031   0.00023   3.09290
   D460      -3.07245  -0.00003  -0.00123  -0.00056  -0.00179  -3.07424
   D461      -0.02357  -0.00005  -0.00069  -0.00068  -0.00136  -0.02493
   D462       0.08347  -0.00003  -0.00145  -0.00007  -0.00152   0.08195
   D463       3.13235  -0.00005  -0.00090  -0.00019  -0.00109   3.13126
   D464       1.92698  -0.00002   0.00091  -0.00032   0.00059   1.92758
   D465      -2.27280  -0.00003   0.00080  -0.00038   0.00042  -2.27239
   D466      -0.17946  -0.00002   0.00092  -0.00040   0.00052  -0.17894
   D467      -1.12530   0.00000   0.00035  -0.00023   0.00012  -1.12518
   D468       0.95810  -0.00002   0.00024  -0.00028  -0.00005   0.95804
   D469       3.05144  -0.00001   0.00036  -0.00031   0.00005   3.05149
   D470      -1.59055  -0.00003  -0.00407  -0.00190  -0.00597  -1.59652
   D471       0.51317  -0.00007  -0.00372  -0.00196  -0.00568   0.50749
   D472       2.60212  -0.00006  -0.00372  -0.00184  -0.00556   2.59656
   D473       1.46227  -0.00005  -0.00353  -0.00199  -0.00552   1.45675
   D474      -2.71720  -0.00008  -0.00319  -0.00205  -0.00523  -2.72243
   D475      -0.62825  -0.00008  -0.00319  -0.00194  -0.00511  -0.63336
   D476       0.01576  -0.00014  -0.00243  -0.00270  -0.00516   0.01061
   D477      -3.08804  -0.00014   0.00192  -0.00225  -0.00035  -3.08839
   D478       3.13357  -0.00007  -0.00449  -0.00128  -0.00578   3.12778
   D479       0.02977  -0.00006  -0.00014  -0.00083  -0.00098   0.02879
   D480      -0.25214   0.00002  -0.00597  -0.00251  -0.00843  -0.26056
   D481       1.85599   0.00003  -0.00620  -0.00253  -0.00870   1.84730
   D482      -2.34455  -0.00001  -0.00763  -0.00152  -0.00904  -2.35359
   D483       2.85350   0.00000  -0.01009  -0.00294  -0.01300   2.84049
   D484      -1.32156   0.00002  -0.01032  -0.00295  -0.01327  -1.33483
   D485       0.76108  -0.00002  -0.01176  -0.00194  -0.01362   0.74746
   D486       0.01012   0.00004  -0.00122  -0.00332  -0.00450   0.00562
   D487       2.10323   0.00002  -0.00093  -0.00246  -0.00340   2.09983
   D488      -2.09624   0.00001  -0.00203  -0.00219  -0.00426  -2.10050
   D489      -3.09560   0.00005   0.00294  -0.00289   0.00008  -3.09553
   D490      -1.00249   0.00003   0.00323  -0.00203   0.00118  -1.00131
   D491       1.08122   0.00002   0.00213  -0.00176   0.00032   1.08154
         Item               Value     Threshold  Converged?
 Maximum Force            0.000196     0.000450     YES
 RMS     Force            0.000028     0.000300     YES
 Maximum Displacement     0.025923     0.001800     NO 
 RMS     Displacement     0.003420     0.001200     NO 
 Predicted change in Energy=-4.022942D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:06:07 2016, MaxMem=  2952790016 cpu:         6.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.869306   -0.607828    1.686664
      2          6           0       -2.138863    1.009600   -1.415620
      3          8           0       -2.606132    0.025198   -2.012999
      4          7           0       -0.869303    1.115619   -0.934269
      5          1           0       -2.750788    1.906848   -1.193534
      6          6           0       -0.437411    2.283515   -0.164683
      7          1           0       -1.263063    3.005453   -0.099450
      8          1           0       -0.143786    1.972569    0.851107
      9          1           0        0.428386    2.760481   -0.652285
     10          6           0        0.111091    0.040727   -1.104345
     11          1           0        0.632527   -0.131630   -0.149879
     12          1           0       -0.406804   -0.878073   -1.408892
     13          1           0        0.857066    0.316918   -1.867792
     14          6           0       -1.971971   -4.041833    2.621313
     15          8           0       -2.132284   -3.888385    3.844329
     16          7           0       -2.888697   -3.742892    1.661494
     17          1           0       -1.025497   -4.430728    2.196535
     18          6           0       -4.207924   -3.202943    2.001264
     19          1           0       -4.479080   -2.436479    1.258248
     20          1           0       -4.971127   -3.998769    1.986159
     21          1           0       -4.170472   -2.749106    3.000299
     22          6           0       -2.602483   -3.930992    0.239051
     23          1           0       -3.302742   -4.662230   -0.197056
     24          1           0       -2.718778   -2.972549   -0.293521
     25          1           0       -1.571828   -4.291216    0.113753
     26          6           0        1.532411    0.365434    2.615159
     27          8           0        1.374335    1.382300    3.311683
     28          7           0        1.141144   -0.892585    2.955928
     29          1           0        2.010080    0.404843    1.616292
     30          6           0        1.443556   -2.045756    2.107408
     31          1           0        2.189368   -2.696004    2.594864
     32          1           0        0.527830   -2.634353    1.938480
     33          1           0        1.834243   -1.698718    1.141067
     34          6           0        0.498969   -1.161298    4.245630
     35          1           0        1.248790   -1.431381    5.008707
     36          1           0       -0.045656   -0.265928    4.571704
     37          1           0       -0.204027   -1.998063    4.125484
     38          6           0       -4.529266    1.378276    2.882053
     39          8           0       -4.724773    2.052540    1.856731
     40          7           0       -3.443451    1.469452    3.697585
     41          1           0       -5.242584    0.598033    3.216647
     42          6           0       -2.361335    2.421646    3.438976
     43          1           0       -2.447165    2.799532    2.412633
     44          1           0       -2.411085    3.263373    4.149991
     45          1           0       -1.393158    1.912754    3.565424
     46          6           0       -3.272653    0.583838    4.849226
     47          1           0       -4.121635   -0.111404    4.910997
     48          1           0       -2.338298    0.008324    4.738937
     49          1           0       -3.211602    1.174003    5.778395
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.508974   0.000000
     3  O    3.825067   1.242678   0.000000
     4  N    3.292350   1.361881   2.317165   0.000000
     5  H    3.923793   1.108526   2.057439   2.057486   0.000000
     6  C    3.719903   2.466302   3.635880   1.463822   2.559713
     7  H    4.075970   2.546126   3.787800   2.103198   2.148785
     8  H    3.214658   3.169494   4.249530   2.109101   3.313810
     9  H    4.700593   3.199849   4.305998   2.114020   3.335984
    10  C    3.483149   2.469392   2.865170   1.464750   3.417706
    11  H    3.139876   3.253476   3.739616   2.103899   4.085515
    12  H    3.434299   2.561910   2.453138   2.100948   3.646427
    13  H    4.574103   3.108031   3.478495   2.118900   3.999889
    14  C    3.560407   6.468512   6.198366   6.360610   7.109601
    15  O    3.935317   7.187305   7.060379   7.033504   7.703722
    16  N    3.296728   5.711135   5.270697   5.866947   6.331649
    17  H    3.947980   6.624531   6.330392   6.370895   7.391487
    18  C    3.507524   5.805310   5.394528   6.197880   6.199996
    19  H    3.215342   4.949914   4.502093   5.518607   5.278515
    20  H    4.605373   6.684128   6.146443   7.177104   7.065173
    21  H    3.406768   6.144562   5.939450   6.427647   6.425080
    22  C    3.698182   5.230901   4.552272   5.463413   6.012876
    23  H    4.694818   5.916854   5.074928   6.312579   6.667114
    24  H    3.199162   4.177669   3.457713   4.532575   4.961811
    25  H    4.016203   5.546094   4.921818   5.552095   6.443210
    26  C    3.658008   5.490026   6.217970   4.350799   5.935309
    27  O    4.137935   5.901598   6.785137   4.809692   6.130968
    28  N    3.279470   5.786811   6.290838   4.817512   6.340505
    29  H    4.009999   5.174161   5.884326   3.911702   5.728613
    30  C    3.635892   5.880531   6.137310   4.959376   6.641673
    31  H    4.653830   6.967716   7.185691   6.028161   7.742309
    32  H    3.149043   5.624911   5.701677   4.926151   6.417270
    33  H    3.899230   5.445843   5.712876   4.420031   6.282753
    34  C    3.530349   6.612163   7.086597   5.821329   7.039812
    35  H    4.629981   7.662020   8.141646   6.803859   8.099888
    36  H    3.430168   6.469662   7.071004   5.736097   6.728794
    37  H    3.264008   6.594957   6.895264   5.978187   7.072926
    38  C    3.528308   4.931525   5.430543   5.294208   4.478034
    39  O    3.906427   4.299178   4.855261   4.850995   3.636201
    40  N    3.291934   5.297007   5.949600   5.310886   4.959249
    41  H    3.895376   5.591097   5.884574   6.051742   5.231801
    42  C    3.534177   5.060679   5.960446   4.801785   4.677269
    43  H    3.531438   4.237266   5.225745   4.065336   3.727400
    44  H    4.620358   6.010793   6.964644   5.730589   5.523480
    45  H    3.179590   5.116890   6.012735   4.599684   4.948826
    46  C    3.659406   6.380835   6.917114   6.285515   6.207870
    47  H    3.964309   6.724144   7.089226   6.800764   6.574030
    48  H    3.148962   6.238661   6.757266   5.964001   6.242496
    49  H    4.660359   7.275414   7.898871   7.109827   7.025469
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098704   0.000000
     8  H    1.102148   1.795324   0.000000
     9  H    1.102205   1.796285   1.791193   0.000000
    10  C    2.492773   3.418730   2.760574   2.775265   0.000000
    11  H    2.641574   3.665664   2.456072   2.942514   1.101184
    12  H    3.397740   4.186836   3.647319   3.809078   1.097797
    13  H    2.905814   3.853596   3.336959   2.762648   1.102548
    14  C    7.080019   7.587446   6.530615   7.921466   5.906519
    15  O    7.552292   7.989614   6.874903   8.425199   6.705223
    16  N    6.757315   7.161269   6.392008   7.658360   5.564563
    17  H    7.141586   7.786191   6.602258   7.870390   5.672878
    18  C    7.000665   7.185359   6.680270   8.006192   6.230577
    19  H    6.374807   6.465349   6.196794   7.398767   5.726086
    20  H    8.040385   8.195036   7.761987   9.044533   7.190110
    21  H    7.019981   7.153769   6.567149   8.052727   6.554620
    22  C    6.593227   7.072687   6.424317   7.399761   4.994272
    23  H    7.513624   7.934934   7.422817   8.320167   5.881771
    24  H    5.731269   6.155751   5.691656   6.549884   4.212532
    25  H    6.677688   7.306310   6.466684   7.369810   4.804343
    26  C    3.909828   4.706748   2.916231   4.198965   3.995034
    27  O    4.022403   4.607203   2.950855   4.302005   4.785071
    28  N    4.724157   5.505474   3.780268   5.183832   4.291608
    29  H    3.562512   4.518894   2.771717   3.632799   3.337754
    30  C    5.238608   6.140905   4.499431   5.634393   4.055148
    31  H    6.269823   7.189243   5.502715   6.589253   5.049067
    32  H    5.435109   6.258423   4.780919   5.985498   4.072899
    33  H    4.766925   5.767271   4.180315   5.007694   3.322167
    34  C    5.674011   6.272662   4.664445   6.274942   5.497048
    35  H    6.588451   7.217213   5.550836   7.091657   6.389903
    36  H    5.393189   5.831268   4.343195   6.055900   5.686487
    37  H    6.065634   6.633762   5.146951   6.772796   5.622017
    38  C    5.181249   4.712234   4.869329   6.243425   6.262054
    39  O    4.745623   4.088780   4.690748   5.775066   6.016722
    40  N    4.961460   4.640136   4.386725   5.964835   6.142846
    41  H    6.112604   5.712158   5.786439   7.197549   6.902419
    42  C    4.087410   3.750665   3.437480   4.963444   5.694158
    43  H    3.308767   2.784790   2.903065   4.202861   5.150224
    44  H    4.844783   4.409334   4.205884   5.601550   6.659945
    45  H    3.868412   3.826515   2.988650   4.671803   5.251095
    46  C    6.005563   5.864475   5.263397   6.978689   6.869476
    47  H    6.713544   6.556737   6.053837   7.739543   7.356864
    48  H    5.730214   5.792141   4.877434   6.655387   6.335968
    49  H    6.651867   6.457559   5.858957   7.557783   7.726365
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795133   0.000000
    13  H    1.789647   1.798878   0.000000
    14  C    5.454594   5.357395   6.866893   0.000000
    15  O    6.140935   6.295680   7.697344   1.242986   0.000000
    16  N    5.359226   4.877935   6.555048   1.360516   2.314756
    17  H    5.170778   5.099337   6.527093   1.107921   2.057751
    18  C    6.122936   5.610944   7.281012   2.467323   2.859196
    19  H    5.781321   5.111330   6.769621   3.274248   3.781970
    20  H    7.135710   6.488309   8.212546   3.065976   3.394703
    21  H    6.312178   6.091545   7.640350   2.578406   2.482852
    22  C    5.005168   4.105733   5.869584   2.466780   3.636060
    23  H    6.001242   4.916792   6.699797   3.177900   4.278038
    24  H    4.395759   3.313020   5.107405   3.193328   4.278379
    25  H    4.714959   3.914751   5.573235   2.551502   3.793887
    26  C    2.949966   4.636794   4.533795   5.630696   5.747680
    27  O    3.850282   5.528614   5.313150   6.410584   6.352968
    28  N    3.237867   4.631200   4.981152   4.440858   4.525417
    29  H    2.303218   4.079086   3.670969   6.053076   6.368291
    30  C    3.068711   4.141459   4.661374   3.989267   4.381644
    31  H    4.066126   5.106373   5.546893   4.373637   4.653988
    32  H    3.261261   3.893965   4.827639   2.948944   3.504434
    33  H    2.359328   3.492570   3.751119   4.708353   5.275946
    34  C    4.516476   5.733608   6.299784   4.128127   3.810713
    35  H    5.355384   6.650768   7.106070   4.784079   4.338698
    36  H    4.771930   6.022680   6.528531   4.666066   4.243263
    37  H    4.739422   5.650205   6.511867   3.092758   2.714873
    38  C    6.173859   6.363805   7.259482   5.998777   5.865937
    39  O    6.123540   6.156106   6.931189   6.730816   6.779833
    40  N    5.829240   6.388131   7.127146   5.804987   5.517890
    41  H    6.810494   6.852684   7.945834   5.707862   5.495079
    42  C    5.325628   6.181437   6.553608   6.526617   6.327184
    43  H    4.964139   5.682596   5.950071   6.861022   6.846687
    44  H    6.267257   7.215948   7.454940   7.476344   7.163714
    45  H    4.699616   5.788388   6.093442   6.056689   5.854682
    46  C    6.383837   7.036642   7.889497   5.296433   4.723456
    47  H    6.943697   7.370804   8.421574   5.031101   4.400100
    48  H    5.722404   6.504780   7.345369   4.585007   4.003386
    49  H    7.185154   7.983421   8.703610   6.221639   5.525695
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056916   0.000000
    18  C    1.465383   3.416640   0.000000
    19  H    2.097294   4.096907   1.101392   0.000000
    20  H    2.123062   3.974776   1.102744   1.792404   0.000000
    21  H    2.103082   3.655784   1.097926   1.796585   1.797549
    22  C    1.463094   2.562882   2.492567   2.606519   2.944053
    23  H    2.114433   3.311906   2.789532   2.907859   2.826680
    24  H    2.108171   3.345723   2.745300   2.407077   3.364988
    25  H    2.104829   2.157758   3.419947   3.633460   3.891871
    26  C    6.110157   5.451726   6.786872   6.769783   7.857348
    27  O    6.867617   6.387021   7.341884   7.284376   8.424832
    28  N    5.102884   4.217756   5.904377   6.070638   6.924499
    29  H    6.419016   5.738828   7.199159   7.092990   8.262314
    30  C    4.674134   3.433986   5.769712   5.995945   6.706498
    31  H    5.268196   3.674682   6.444741   6.806033   7.303451
    32  H    3.602532   2.388803   4.770178   5.056779   5.665901
    33  H    5.172587   4.093410   6.285731   6.357364   7.233082
    34  C    4.981834   4.148730   5.600030   5.944032   6.563414
    35  H    5.802216   4.698592   6.477566   6.919874   7.376627
    36  H    5.351774   4.893574   5.705935   5.945211   6.699209
    37  H    4.040189   3.211466   4.689908   5.166172   5.595067
    38  C    5.514308   6.818421   4.676175   4.146278   5.469047
    39  O    6.082461   7.472140   5.282814   4.535399   6.057704
    40  N    5.623340   6.550708   5.029235   4.720085   5.929942
    41  H    5.177154   6.641754   4.122511   3.691414   4.766380
    42  C    6.437319   7.091061   6.092036   5.730777   7.081201
    43  H    6.600187   7.371872   6.268907   5.733855   7.264238
    44  H    7.450402   8.058228   7.046907   6.717671   7.998418
    45  H    6.152067   6.499908   6.044821   5.810492   7.088162
    46  C    5.387917   6.101832   4.829630   4.844885   5.664119
    47  H    5.026640   5.967490   4.246364   4.344689   4.938412
    48  H    4.883156   5.281329   4.615472   4.761849   5.528685
    49  H    6.420981   7.001556   5.866603   5.922315   6.650906
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388204   0.000000
    23  H    3.825713   1.102389   0.000000
    24  H    3.606465   1.102620   1.790347   0.000000
    25  H    4.178899   1.098959   1.797308   1.794505   0.000000
    26  C    6.509345   6.418919   7.520949   6.138009   6.130067
    27  O    6.921731   7.313496   8.409675   6.979669   7.148105
    28  N    5.626891   5.534265   6.625682   5.457487   5.195081
    29  H    7.075457   6.478580   7.562376   6.116883   6.094313
    30  C    5.727937   4.838937   5.889299   4.893713   4.255501
    31  H    6.372971   5.480592   6.467158   5.701678   4.779875
    32  H    4.818160   3.790540   4.831779   3.954323   3.237806
    33  H    6.373120   5.047893   6.079605   4.940717   4.402015
    34  C    5.086813   5.774330   6.815203   5.851360   5.581845
    35  H    5.927773   6.620421   7.632483   6.799295   6.332070
    36  H    5.064543   6.224302   7.257903   6.175904   6.197214
    37  H    4.190798   4.959150   5.948460   5.176987   4.819068
    38  C    4.144635   6.235886   6.890065   5.682589   6.968003
    39  O    4.966971   6.551615   7.164381   5.822295   7.295360
    40  N    4.337165   6.467881   7.265367   6.015435   7.037906
    41  H    3.521303   6.028953   6.564048   5.607133   6.856177
    42  C    5.495642   7.117140   8.017997   6.569371   7.532791
    43  H    5.839736   7.074499   7.951124   6.380749   7.505316
    44  H    6.369234   8.190909   9.083340   7.663302   8.606241
    45  H    5.455802   6.832027   7.812374   6.365133   7.101775
    46  C    3.915754   6.487413   7.279224   6.277142   7.005973
    47  H    3.257396   6.222873   6.890052   6.102554   6.854626
    48  H    3.739404   5.986399   6.863545   5.861399   6.361276
    49  H    4.901840   7.557535   8.353200   7.369188   8.040251
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242638   0.000000
    28  N    1.360818   2.314312   0.000000
    29  H    1.107906   2.057655   2.057424   0.000000
    30  C    2.465673   3.634093   1.463298   2.562728   0.000000
    31  H    3.131199   4.220269   2.116946   3.256532   1.103028
    32  H    3.235089   4.328482   2.108343   3.396701   1.101607
    33  H    2.554364   3.796810   2.103321   2.163730   1.098584
    34  C    2.461168   2.847527   1.465580   3.413162   2.499301
    35  H    3.006336   3.288229   2.125038   3.931890   2.972024
    36  H    2.591714   2.514097   2.100458   3.662027   3.385010
    37  H    3.298851   3.818423   2.097481   4.119742   2.605655
    38  C    6.151505   5.919215   6.108668   6.731477   6.928108
    39  O    6.524867   6.305968   6.655147   6.937648   7.409936
    40  N    5.210538   4.834002   5.210354   5.933479   6.226411
    41  H    6.805619   6.663912   6.560632   7.429643   7.274922
    42  C    4.479726   3.879649   4.846114   5.147713   6.017304
    43  H    4.669354   4.173811   5.177147   5.122082   6.221550
    44  H    5.128832   4.309362   5.596080   5.842733   6.871481
    45  H    3.443278   2.829273   3.829374   4.201779   5.083558
    46  C    5.303527   4.959444   5.024541   6.196061   6.055986
    47  H    6.120987   5.915627   5.668278   6.979937   6.524813
    48  H    4.429486   4.208148   4.012140   5.368103   5.044463
    49  H    5.758950   5.211418   5.584219   6.721657   6.746368
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787554   0.000000
    33  H    1.798394   1.793877   0.000000
    34  C    2.817410   2.737456   3.422001   0.000000
    35  H    2.882810   3.375384   3.920825   1.103387   0.000000
    36  H    3.848181   3.587783   4.166075   1.097555   1.795784
    37  H    2.925450   2.392377   3.626417   1.099461   1.792174
    38  C    7.862715   6.524243   7.279642   5.795855   6.767774
    39  O    8.420146   7.040134   7.589783   6.582027   7.599744
    40  N    7.091944   5.975512   6.665370   4.771151   5.670185
    41  H    8.152987   6.736446   7.724285   6.092576   7.033344
    42  C    6.900128   6.013476   6.313531   4.655053   5.508436
    43  H    7.192465   6.213092   6.338895   5.265715   6.188724
    44  H    7.687442   6.950624   7.190187   5.296723   6.014382
    45  H    5.917528   5.197435   5.416306   3.673231   4.499577
    46  C    6.758194   5.768264   6.711252   4.199400   4.952776
    47  H    7.202318   6.067838   7.225263   4.784869   5.531126
    48  H    5.692995   4.800103   5.767908   3.108287   3.874626
    49  H    7.367652   6.575095   7.430875   4.644495   5.222599
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795685   0.000000
    38  C    5.065678   5.626143   0.000000
    39  O    5.885619   6.480106   1.242634   0.000000
    40  N    3.914159   4.764518   1.361029   2.317439   0.000000
    41  H    5.439730   5.740449   1.108852   2.057448   2.056101
    42  C    3.724043   4.965793   2.469556   2.868027   1.464420
    43  H    4.452626   5.566187   2.564268   2.460594   2.100667
    44  H    4.269551   5.705648   3.106115   3.475387   2.118633
    45  H    2.752275   4.125796   3.253896   3.746843   2.101829
    46  C    3.348527   4.075105   2.465761   3.636037   1.462792
    47  H    4.092994   4.418616   2.549887   3.791434   2.105091
    48  H    2.315035   2.992829   3.182001   4.263941   2.107291
    49  H    3.681402   4.673288   3.188537   4.294295   2.114430
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417102   0.000000
    43  H    3.647931   1.097063   0.000000
    44  H    3.999069   1.102961   1.798574   0.000000
    45  H    4.082672   1.101057   1.796172   1.789431   0.000000
    46  C    2.558543   2.489346   3.395249   2.900196   2.635653
    47  H    2.151894   3.417870   4.185597   3.859304   3.654089
    48  H    3.331666   2.741268   3.635159   3.308701   2.428431
    49  H    3.319515   2.784322   3.815110   2.767308   2.957994
                   46         47         48         49
    46  C    0.000000
    47  H    1.099066   0.000000
    48  H    1.102906   1.795614   0.000000
    49  H    1.102441   1.798002   1.789397   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2137974      0.1906249      0.1862542
 Leave Link  202 at Mon Nov 14 01:06:07 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1966769354 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1846712889 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.0120056466 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4046
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.17D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     227
 GePol: Fraction of low-weight points (<1% of avg)   =       5.61%
 GePol: Cavity surface area                          =    465.572 Ang**2
 GePol: Cavity volume                                =    457.966 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039574943 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.0080481522 Hartrees.
 Leave Link  301 at Mon Nov 14 01:06:07 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37530.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:06:09 2016, MaxMem=  2952790016 cpu:        15.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:06:09 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001521    0.002070    0.001327
         Rot=    1.000000   -0.000014    0.000002   -0.000094 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50891364062    
 Leave Link  401 at Mon Nov 14 01:06:16 2016, MaxMem=  2952790016 cpu:        79.1
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49110348.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   1894.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.25D-15 for   2120   1094.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.31D-14 for   2659.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.11D-10 for   4013   3788.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.28D-14 for   1892.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.51D-14 for   2421    166.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.33D-15 for   3187.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.47D-15 for   2721    667.
 E= -1013.45100370347    
 DIIS: error= 2.43D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45100370347     IErMin= 1 ErrMin= 2.43D-04
 ErrMax= 2.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.46D-05 BMatP= 7.46D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.43D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.17D-05 MaxDP=2.57D-03              OVMax= 2.47D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.17D-05    CP:  1.00D+00
 E= -1013.45113082701     Delta-E=       -0.000127123538 Rises=F Damp=F
 DIIS: error= 4.60D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45113082701     IErMin= 2 ErrMin= 4.60D-05
 ErrMax= 4.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-06 BMatP= 7.46D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.243D-01 0.976D+00
 Coeff:      0.243D-01 0.976D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.10D-05 MaxDP=7.86D-04 DE=-1.27D-04 OVMax= 7.92D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  1.00D+00  9.33D-01
 E= -1013.45112694955     Delta-E=        0.000003877455 Rises=F Damp=F
 DIIS: error= 1.19D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45113082701     IErMin= 2 ErrMin= 4.60D-05
 ErrMax= 1.19D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.23D-06 BMatP= 1.56D-06
 IDIUse=3 WtCom= 4.78D-01 WtEn= 5.22D-01
 Coeff-Com:  0.371D-02 0.681D+00 0.316D+00
 Coeff-En:   0.000D+00 0.754D+00 0.246D+00
 Coeff:      0.178D-02 0.719D+00 0.279D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.53D-06 MaxDP=4.14D-04 DE= 3.88D-06 OVMax= 6.78D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.14D-06    CP:  1.00D+00  9.54D-01  4.64D-01
 E= -1013.45113213811     Delta-E=       -0.000005188555 Rises=F Damp=F
 DIIS: error= 1.21D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45113213811     IErMin= 4 ErrMin= 1.21D-05
 ErrMax= 1.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-07 BMatP= 1.56D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D-03 0.282D+00 0.149D+00 0.570D+00
 Coeff:     -0.106D-03 0.282D+00 0.149D+00 0.570D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.64D-06 MaxDP=8.11D-05 DE=-5.19D-06 OVMax= 1.23D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.41D-07    CP:  1.00D+00  9.62D-01  4.32D-01  6.05D-01
 E= -1013.45113224421     Delta-E=       -0.000000106109 Rises=F Damp=F
 DIIS: error= 1.13D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45113224421     IErMin= 5 ErrMin= 1.13D-05
 ErrMax= 1.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.09D-08 BMatP= 1.68D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.229D-04 0.153D+00 0.826D-01 0.395D+00 0.369D+00
 Coeff:     -0.229D-04 0.153D+00 0.826D-01 0.395D+00 0.369D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.25D-07 MaxDP=3.21D-05 DE=-1.06D-07 OVMax= 5.46D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.03D-07    CP:  1.00D+00  9.62D-01  4.24D-01  6.29D-01  5.64D-01
 E= -1013.45113228658     Delta-E=       -0.000000042364 Rises=F Damp=F
 DIIS: error= 4.40D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45113228658     IErMin= 6 ErrMin= 4.40D-07
 ErrMax= 4.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-10 BMatP= 5.09D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.850D-05 0.392D-01 0.205D-01 0.111D+00 0.124D+00 0.705D+00
 Coeff:     -0.850D-05 0.392D-01 0.205D-01 0.111D+00 0.124D+00 0.705D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.90D-08 MaxDP=3.98D-06 DE=-4.24D-08 OVMax= 3.25D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.75D-08    CP:  1.00D+00  9.62D-01  4.24D-01  6.35D-01  5.61D-01
                    CP:  8.97D-01
 E= -1013.45113228675     Delta-E=       -0.000000000170 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45113228675     IErMin= 7 ErrMin= 1.74D-07
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-11 BMatP= 2.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.839D-05 0.111D-01 0.571D-02 0.332D-01 0.408D-01 0.342D+00
 Coeff-Com:  0.568D+00
 Coeff:     -0.839D-05 0.111D-01 0.571D-02 0.332D-01 0.408D-01 0.342D+00
 Coeff:      0.568D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.96D-08 MaxDP=9.32D-07 DE=-1.70D-10 OVMax= 9.62D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.57D-08    CP:  1.00D+00  9.62D-01  4.24D-01  6.35D-01  5.64D-01
                    CP:  9.05D-01  8.08D-01
 E= -1013.45113228682     Delta-E=       -0.000000000076 Rises=F Damp=F
 DIIS: error= 5.04D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45113228682     IErMin= 8 ErrMin= 5.04D-08
 ErrMax= 5.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-12 BMatP= 3.18D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.420D-05 0.147D-02 0.760D-03 0.499D-02 0.723D-02 0.913D-01
 Coeff-Com:  0.270D+00 0.624D+00
 Coeff:     -0.420D-05 0.147D-02 0.760D-03 0.499D-02 0.723D-02 0.913D-01
 Coeff:      0.270D+00 0.624D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.22D-09 MaxDP=4.10D-07 DE=-7.59D-11 OVMax= 5.42D-07

 Error on total polarization charges =  0.04267
 SCF Done:  E(RB97D) =  -1013.45113229     A.U. after    8 cycles
            NFock=  8  Conv=0.72D-08     -V/T= 2.0213
 KE= 9.923543644518D+02 PE=-6.027411995707D+03 EE= 2.173598450817D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.48
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:07:59 2016, MaxMem=  2952790016 cpu:      1175.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37530.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     363
 Leave Link  701 at Mon Nov 14 01:08:07 2016, MaxMem=  2952790016 cpu:        98.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:08:07 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:08:44 2016, MaxMem=  2952790016 cpu:       439.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.47382883D+00-2.76494507D+00 3.40687482D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000048420   -0.000167893    0.000248732
      2        6           0.000156296    0.000114994    0.000071205
      3        8           0.000018656    0.000000076    0.000014598
      4        7           0.000023634    0.000016197    0.000007796
      5        1           0.000037337    0.000037559   -0.000024133
      6        6          -0.000058354   -0.000084793   -0.000073611
      7        1           0.000070910    0.000081513   -0.000020889
      8        1           0.000032771    0.000004945   -0.000071438
      9        1           0.000089177   -0.000038977    0.000083205
     10        6           0.000011819    0.000101924    0.000016267
     11        1           0.000027304    0.000092097    0.000027247
     12        1           0.000025822    0.000018088    0.000004379
     13        1           0.000042152    0.000015233    0.000024741
     14        6          -0.000096526    0.000030927    0.000023523
     15        8          -0.000020335   -0.000053644   -0.000037805
     16        7          -0.000063231   -0.000008114   -0.000045597
     17        1           0.000000920    0.000040448   -0.000035918
     18        6           0.000072385    0.000139795   -0.000089572
     19        1          -0.000042237    0.000067748    0.000025401
     20        1          -0.000017250    0.000007425   -0.000066484
     21        1          -0.000090665   -0.000091470    0.000024366
     22        6          -0.000013911   -0.000009310    0.000026475
     23        1           0.000003585    0.000038947   -0.000066406
     24        1          -0.000011063    0.000069827   -0.000051083
     25        1           0.000007147    0.000012232   -0.000023284
     26        6          -0.000020967   -0.000092236   -0.000030027
     27        8          -0.000023700   -0.000027956    0.000030498
     28        7          -0.000040849    0.000049569   -0.000014264
     29        1           0.000063001    0.000002319    0.000065682
     30        6           0.000046247    0.000022943    0.000037659
     31        1          -0.000010399   -0.000019579    0.000021250
     32        1           0.000050931    0.000048026    0.000065974
     33        1          -0.000021821    0.000000988    0.000013989
     34        6           0.000018640   -0.000080104   -0.000037784
     35        1          -0.000028385   -0.000053808    0.000007238
     36        1           0.000043637   -0.000007741    0.000104113
     37        1          -0.000088045    0.000038219   -0.000045367
     38        6          -0.000070123   -0.000278926   -0.000118813
     39        8          -0.000046051    0.000096914    0.000144956
     40        7          -0.000027470    0.000066664   -0.000116414
     41        1           0.000030795   -0.000017453    0.000015734
     42        6           0.000169409    0.000145860   -0.000117267
     43        1          -0.000042857    0.000001979   -0.000044937
     44        1          -0.000027324   -0.000083773    0.000068545
     45        1           0.000016651    0.000082388   -0.000088855
     46        6          -0.000014778   -0.000075359    0.000109522
     47        1           0.000020701   -0.000087947   -0.000134112
     48        1          -0.000178842   -0.000154286    0.000125340
     49        1          -0.000073163   -0.000012477   -0.000054378
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000278926 RMS     0.000071954
 Leave Link  716 at Mon Nov 14 01:08:44 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000113889 RMS     0.000022921
 Search for a local minimum.
 Step number  19 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .22921D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   15   16   17   18   19
 DE= -2.15D-05 DEPred=-4.02D-06 R= 5.34D+00
 TightC=F SS=  1.41D+00  RLast= 8.26D-02 DXNew= 2.2445D+00 2.4786D-01
 Trust test= 5.34D+00 RLast= 8.26D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00053   0.00112   0.00250   0.00353   0.00360
     Eigenvalues ---    0.00403   0.00447   0.00603   0.00690   0.00744
     Eigenvalues ---    0.00770   0.00890   0.00907   0.00927   0.00947
     Eigenvalues ---    0.01024   0.01042   0.01056   0.01199   0.01267
     Eigenvalues ---    0.01348   0.01360   0.01398   0.01518   0.01531
     Eigenvalues ---    0.01598   0.01617   0.01772   0.01798   0.01865
     Eigenvalues ---    0.01893   0.01932   0.01966   0.02056   0.02127
     Eigenvalues ---    0.02147   0.02242   0.02290   0.02548   0.02738
     Eigenvalues ---    0.02896   0.03032   0.03483   0.03625   0.04172
     Eigenvalues ---    0.04286   0.04455   0.04892   0.05215   0.05576
     Eigenvalues ---    0.05767   0.06034   0.06070   0.06195   0.06755
     Eigenvalues ---    0.06943   0.07256   0.07478   0.07711   0.07825
     Eigenvalues ---    0.07964   0.08149   0.08239   0.08400   0.08484
     Eigenvalues ---    0.08528   0.08659   0.08789   0.08825   0.08983
     Eigenvalues ---    0.09094   0.09124   0.09597   0.09851   0.09999
     Eigenvalues ---    0.10017   0.10067   0.10211   0.10456   0.10494
     Eigenvalues ---    0.10550   0.10597   0.10696   0.11036   0.11286
     Eigenvalues ---    0.11456   0.11548   0.11698   0.12367   0.13290
     Eigenvalues ---    0.13475   0.14471   0.14665   0.15320   0.15598
     Eigenvalues ---    0.15753   0.16463   0.22068   0.23232   0.23692
     Eigenvalues ---    0.24022   0.24466   0.25095   0.25725   0.26549
     Eigenvalues ---    0.27008   0.27868   0.28580   0.29296   0.29783
     Eigenvalues ---    0.29919   0.30031   0.32720   0.32731   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33416   0.33424   0.33447   0.33513   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33832   0.33915   0.33937
     Eigenvalues ---    0.33973   0.34010   0.34151   0.37247   0.39397
     Eigenvalues ---    0.40626   0.41527   0.85938   0.85991   0.86101
     Eigenvalues ---    0.87330
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    19   18   17   16   15
 RFO step:  Lambda=-2.32763766D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.78D-05 SmlDif=  1.00D-05
 RMS Error=  0.1684968871D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.97326   -0.17857   -2.10956    2.46267   -1.14780
 Iteration  1 RMS(Cart)=  0.00387023 RMS(Int)=  0.00005347
 Iteration  2 RMS(Cart)=  0.00001224 RMS(Int)=  0.00005197
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005197
 ITry= 1 IFail=0 DXMaxC= 3.08D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.63100   0.00003  -0.00207  -0.00230  -0.00435   6.62665
    R2        6.22164   0.00004   0.00491   0.00053   0.00543   6.22707
    R3        7.02960   0.00005   0.00939   0.00317   0.01255   7.04215
    R4        6.07482   0.00003   0.00903   0.00349   0.01253   6.08736
    R5        6.58220  -0.00002   0.00273  -0.00021   0.00252   6.58472
    R6        5.93351   0.00000   0.00323   0.00016   0.00340   5.93691
    R7        6.72819   0.00001  -0.00037  -0.00057  -0.00093   6.72726
    R8        6.22991  -0.00001   0.00028  -0.00008   0.00021   6.23012
    R9        6.62826   0.00002   0.00387   0.00034   0.00419   6.63245
   R10        6.07612   0.00000  -0.00300  -0.00182  -0.00480   6.07131
   R11        6.98855  -0.00005  -0.00433  -0.00096  -0.00528   6.98327
   R12        6.04554  -0.00003  -0.00620  -0.00114  -0.00735   6.03819
   R13        6.91263   0.00003  -0.00158   0.00060  -0.00099   6.91164
   R14        6.19730   0.00002   0.00172   0.00026   0.00196   6.19926
   R15        6.87084   0.00000   0.00228   0.00045   0.00270   6.87354
   R16        5.95083  -0.00001   0.00318   0.00056   0.00375   5.95458
   R17        6.67139   0.00001   0.00531  -0.00002   0.00527   6.67666
   R18        6.66754  -0.00002  -0.00241   0.00114  -0.00129   6.66624
   R19        6.22085  -0.00006  -0.00869  -0.00159  -0.01040   6.21045
   R20        6.67863   0.00004  -0.00648  -0.00054  -0.00727   6.67136
   R21        6.00855   0.00002  -0.00075  -0.00017  -0.00046   6.00809
   R22        6.91528  -0.00010  -0.02092  -0.00146  -0.02249   6.89279
   R23        5.95068   0.00006  -0.02101   0.00181  -0.01924   5.93143
   R24        2.34832   0.00002  -0.00006   0.00007   0.00000   2.34833
   R25        2.57358  -0.00008   0.00012  -0.00018  -0.00007   2.57351
   R26        2.09481   0.00000   0.00025  -0.00013   0.00012   2.09493
   R27        2.76622  -0.00008   0.00014  -0.00025  -0.00011   2.76611
   R28        2.76798  -0.00005  -0.00004  -0.00015  -0.00020   2.76777
   R29        2.07625   0.00001   0.00002   0.00004   0.00006   2.07631
   R30        2.08276  -0.00002  -0.00013   0.00002  -0.00012   2.08264
   R31        2.08287   0.00000  -0.00003   0.00001  -0.00002   2.08284
   R32        2.08094  -0.00002   0.00002   0.00007   0.00009   2.08103
   R33        2.07454   0.00000  -0.00003   0.00004   0.00001   2.07454
   R34        2.08351   0.00000  -0.00002   0.00000  -0.00002   2.08349
   R35        2.34890  -0.00001  -0.00009  -0.00001  -0.00010   2.34880
   R36        2.57100   0.00001   0.00012  -0.00002   0.00009   2.57109
   R37        2.09367   0.00000   0.00003  -0.00001   0.00003   2.09369
   R38        2.76917  -0.00001  -0.00012  -0.00008  -0.00021   2.76896
   R39        2.76485  -0.00001   0.00027  -0.00025  -0.00001   2.76484
   R40        2.08133   0.00000   0.00002   0.00000   0.00005   2.08138
   R41        2.08389   0.00001  -0.00001   0.00003   0.00002   2.08391
   R42        2.07478   0.00002  -0.00021   0.00014  -0.00006   2.07472
   R43        2.08321   0.00000  -0.00001  -0.00001  -0.00002   2.08319
   R44        2.08365   0.00002  -0.00005   0.00012   0.00005   2.08370
   R45        2.07673   0.00000  -0.00002   0.00001   0.00000   2.07673
   R46        2.34825  -0.00001   0.00007  -0.00002   0.00005   2.34830
   R47        2.57157  -0.00006  -0.00010   0.00004  -0.00004   2.57154
   R48        2.09364   0.00000  -0.00002   0.00000  -0.00002   2.09362
   R49        2.76523  -0.00004  -0.00008  -0.00012  -0.00016   2.76507
   R50        2.76955  -0.00001  -0.00035   0.00003  -0.00030   2.76924
   R51        2.08442   0.00001   0.00003   0.00000   0.00003   2.08445
   R52        2.08173  -0.00003   0.00003  -0.00010   0.00004   2.08177
   R53        2.07602   0.00000  -0.00001   0.00000  -0.00001   2.07601
   R54        2.08510   0.00000   0.00003   0.00000   0.00003   2.08513
   R55        2.07408   0.00001  -0.00018   0.00010  -0.00008   2.07400
   R56        2.07768   0.00000   0.00009   0.00000   0.00009   2.07777
   R57        2.34824  -0.00007  -0.00052   0.00015  -0.00037   2.34787
   R58        2.57197   0.00000   0.00049   0.00003   0.00056   2.57253
   R59        2.09543   0.00000   0.00012  -0.00001   0.00010   2.09553
   R60        2.76735   0.00008   0.00006   0.00032   0.00049   2.76785
   R61        2.76428   0.00007   0.00036   0.00006   0.00047   2.76475
   R62        2.07315   0.00006   0.00001   0.00015   0.00016   2.07331
   R63        2.08429  -0.00002   0.00015  -0.00008   0.00007   2.08436
   R64        2.08070  -0.00001   0.00032  -0.00019   0.00031   2.08101
   R65        2.07693   0.00000  -0.00007   0.00002  -0.00005   2.07689
   R66        2.08419  -0.00006  -0.00001  -0.00005  -0.00012   2.08407
   R67        2.08331  -0.00004   0.00011  -0.00014  -0.00003   2.08329
    A1        0.69398  -0.00003  -0.00055  -0.00016  -0.00070   0.69328
    A2        0.97815  -0.00003  -0.00099  -0.00026  -0.00125   0.97690
    A3        0.72187  -0.00002   0.00004   0.00013   0.00018   0.72205
    A4        1.01712  -0.00002  -0.00021   0.00008  -0.00012   1.01700
    A5        2.31101   0.00002   0.00085   0.00029   0.00114   2.31216
    A6        1.99088   0.00002   0.00072   0.00024   0.00097   1.99185
    A7        1.94885   0.00002   0.00040   0.00016   0.00056   1.94942
    A8        1.65289   0.00002   0.00099   0.00030   0.00130   1.65419
    A9        1.62372   0.00002   0.00046   0.00025   0.00073   1.62445
   A10        1.34189   0.00001   0.00040   0.00021   0.00063   1.34252
   A11        1.74488  -0.00003  -0.00033  -0.00009  -0.00042   1.74446
   A12        2.04061  -0.00003  -0.00022  -0.00004  -0.00026   2.04034
   A13        1.93328  -0.00002  -0.00010   0.00009  -0.00001   1.93327
   A14        2.01065  -0.00001   0.00049   0.00025   0.00075   2.01140
   A15        2.44127  -0.00003  -0.00046  -0.00006  -0.00052   2.44075
   A16        1.55295   0.00002   0.00106   0.00042   0.00149   1.55444
   A17        1.78490   0.00000   0.00033   0.00012   0.00045   1.78535
   A18        1.60335  -0.00002  -0.00122  -0.00026  -0.00144   1.60190
   A19        1.74010  -0.00004  -0.00088  -0.00053  -0.00143   1.73867
   A20        2.19506   0.00002   0.00189   0.00024   0.00211   2.19717
   A21        2.42694   0.00002   0.00126   0.00024   0.00151   2.42845
   A22        0.65976  -0.00002  -0.00072  -0.00022  -0.00095   0.65881
   A23        0.66481  -0.00001  -0.00050  -0.00011  -0.00061   0.66420
   A24        2.37838   0.00001   0.00024   0.00006   0.00030   2.37869
   A25        2.19647   0.00001   0.00028   0.00010   0.00039   2.19686
   A26        2.29323   0.00000   0.00016   0.00013   0.00030   2.29354
   A27        2.02436   0.00001   0.00097   0.00035   0.00133   2.02569
   A28        1.79158   0.00001  -0.00009   0.00007   0.00001   1.79158
   A29        1.54564   0.00000  -0.00005   0.00008   0.00006   1.54569
   A30        1.34932  -0.00001  -0.00032  -0.00015  -0.00048   1.34884
   A31        1.64560  -0.00001  -0.00041  -0.00017  -0.00059   1.64502
   A32        1.59319  -0.00001  -0.00061  -0.00017  -0.00077   1.59242
   A33        1.74094  -0.00001  -0.00025  -0.00008  -0.00033   1.74061
   A34        2.04355  -0.00001  -0.00053  -0.00014  -0.00067   2.04288
   A35        1.77627   0.00003   0.00238   0.00093   0.00332   1.77958
   A36        1.87676   0.00000   0.00155   0.00062   0.00217   1.87893
   A37        1.55907  -0.00001   0.00017   0.00028   0.00049   1.55956
   A38        1.58072  -0.00003   0.00016  -0.00009   0.00006   1.58078
   A39        2.25751   0.00002   0.00252   0.00058   0.00308   2.26059
   A40        2.36661   0.00004   0.00051   0.00029   0.00080   2.36741
   A41        0.70382  -0.00003  -0.00077  -0.00031  -0.00108   0.70275
   A42        0.77318  -0.00003  -0.00098  -0.00044  -0.00142   0.77177
   A43        2.67126   0.00000  -0.00058  -0.00034  -0.00092   2.67034
   A44        2.59514  -0.00001  -0.00041  -0.00021  -0.00062   2.59452
   A45        2.63905  -0.00001   0.00002   0.00007   0.00010   2.63915
   A46        2.32976   0.00000   0.00062   0.00023   0.00086   2.33062
   A47        2.18946  -0.00001  -0.00078  -0.00024  -0.00100   2.18845
   A48        1.94839  -0.00002  -0.00067  -0.00019  -0.00084   1.94755
   A49        1.11694   0.00000  -0.00052  -0.00024  -0.00076   1.11618
   A50        1.47742  -0.00001  -0.00060  -0.00031  -0.00091   1.47651
   A51        1.58505  -0.00002  -0.00114  -0.00046  -0.00159   1.58347
   A52        1.82036  -0.00002  -0.00102  -0.00045  -0.00146   1.81890
   A53        1.79710   0.00000  -0.00025  -0.00014  -0.00039   1.79671
   A54        1.59208   0.00004   0.00359   0.00143   0.00503   1.59711
   A55        1.56841   0.00002   0.00257   0.00109   0.00367   1.57208
   A56        1.19618   0.00001   0.00127   0.00076   0.00207   1.19826
   A57        1.18129  -0.00001   0.00090   0.00025   0.00115   1.18244
   A58        1.90141   0.00004   0.00309   0.00091   0.00398   1.90538
   A59        1.96888   0.00005   0.00099   0.00056   0.00154   1.97042
   A60        0.84609  -0.00002  -0.00036  -0.00008  -0.00044   0.84565
   A61        0.79335  -0.00003  -0.00031  -0.00016  -0.00047   0.79288
   A62        2.60198   0.00001   0.00025   0.00002   0.00027   2.60225
   A63        2.75800   0.00000  -0.00011  -0.00004  -0.00015   2.75785
   A64        2.60130  -0.00001  -0.00008   0.00000  -0.00007   2.60122
   A65        2.38324  -0.00001  -0.00060  -0.00010  -0.00070   2.38255
   A66        2.18337  -0.00002  -0.00065  -0.00011  -0.00074   2.18263
   A67        0.86748   0.00001   0.00008  -0.00001   0.00007   0.86754
   A68        1.24249  -0.00001   0.00012  -0.00006   0.00007   1.24256
   A69        1.42877  -0.00001  -0.00037  -0.00016  -0.00052   1.42826
   A70        1.69990  -0.00002  -0.00033  -0.00017  -0.00047   1.69943
   A71        1.52495   0.00000   0.00044   0.00006   0.00050   1.52545
   A72        1.61169   0.00004   0.00307   0.00114   0.00423   1.61592
   A73        1.47960   0.00002   0.00224   0.00090   0.00314   1.48274
   A74        1.06505   0.00001   0.00139   0.00071   0.00213   1.06718
   A75        0.97263  -0.00001   0.00108   0.00029   0.00137   0.97400
   A76        1.74069   0.00004   0.00248   0.00068   0.00315   1.74384
   A77        1.74652   0.00006   0.00044   0.00036   0.00081   1.74733
   A78        1.98923   0.00002   0.00027   0.00000   0.00028   1.98951
   A79        1.92491   0.00002   0.00015   0.00001   0.00017   1.92508
   A80        2.20027   0.00001  -0.00019   0.00000  -0.00019   2.20008
   A81        2.04948   0.00002   0.00082   0.00031   0.00113   2.05062
   A82        1.53717   0.00001  -0.00024  -0.00002  -0.00026   1.53691
   A83        1.36191   0.00001  -0.00021   0.00000  -0.00018   1.36173
   A84        1.18653  -0.00001   0.00030   0.00003   0.00033   1.18686
   A85        1.37389  -0.00001   0.00009  -0.00001   0.00008   1.37397
   A86        1.21142  -0.00001  -0.00015  -0.00005  -0.00019   1.21123
   A87        1.31925   0.00000   0.00011  -0.00001   0.00011   1.31935
   A88        1.80143  -0.00001  -0.00029   0.00000  -0.00029   1.80114
   A89        2.20844   0.00002   0.00215   0.00090   0.00304   2.21148
   A90        2.27033  -0.00001   0.00173   0.00075   0.00248   2.27281
   A91        1.89319  -0.00002   0.00077   0.00054   0.00134   1.89454
   A92        1.81390  -0.00003   0.00082   0.00027   0.00108   1.81499
   A93        2.58659   0.00002   0.00216   0.00061   0.00275   2.58934
   A94        2.54088   0.00003  -0.00082   0.00009  -0.00076   2.54012
   A95        1.89948   0.00003   0.00039   0.00010   0.00049   1.89997
   A96        1.96724   0.00003   0.00025   0.00014   0.00039   1.96762
   A97        2.34051   0.00002  -0.00012   0.00012  -0.00001   2.34050
   A98        2.28504   0.00003   0.00085   0.00044   0.00129   2.28633
   A99        1.63614   0.00002  -0.00017   0.00010  -0.00007   1.63606
   A100       1.53242   0.00002  -0.00014   0.00014   0.00001   1.53243
   A101       0.88556  -0.00002   0.00044  -0.00002   0.00041   0.88597
   A102       1.05655  -0.00001   0.00021  -0.00004   0.00017   1.05672
   A103       0.92937   0.00000  -0.00008  -0.00005  -0.00013   0.92925
   A104       1.09036   0.00000   0.00010  -0.00001   0.00011   1.09046
   A105       1.48392  -0.00001  -0.00016  -0.00003  -0.00019   1.48373
   A106       2.36527   0.00001   0.00261   0.00099   0.00361   2.36888
   A107       2.26870  -0.00001   0.00194   0.00074   0.00268   2.27137
   A108       1.84516  -0.00002   0.00128   0.00060   0.00191   1.84707
   A109       1.67706  -0.00003   0.00112   0.00034   0.00145   1.67851
   A110       2.43668   0.00001   0.00132   0.00035   0.00164   2.43832
   A111       2.28623   0.00002  -0.00137  -0.00016  -0.00154   2.28469
   A112       0.71304   0.00000  -0.00013   0.00000  -0.00012   0.71292
   A113       1.00396   0.00000   0.00001   0.00007   0.00007   1.00404
   A114       0.69250   0.00000   0.00034   0.00003   0.00036   0.69287
   A115       0.97871   0.00001   0.00041   0.00008   0.00047   0.97918
   A116       1.78933   0.00001   0.00041   0.00009   0.00051   1.78984
   A117       1.41124   0.00002   0.00026   0.00013   0.00038   1.41162
   A118       1.17500   0.00002   0.00065   0.00018   0.00082   1.17582
   A119       0.90240   0.00003   0.00056   0.00018   0.00072   0.90311
   A120       1.24280   0.00000  -0.00029   0.00002  -0.00028   1.24252
   A121       2.01778  -0.00004  -0.00304  -0.00109  -0.00416   2.01362
   A122       2.02025  -0.00001  -0.00189  -0.00072  -0.00261   2.01764
   A123       2.33587   0.00000  -0.00016  -0.00025  -0.00046   2.33541
   A124       2.23166   0.00002   0.00009   0.00026   0.00035   2.23201
   A125       1.64703  -0.00003  -0.00278  -0.00063  -0.00340   1.64362
   A126       1.50071  -0.00004  -0.00148  -0.00048  -0.00197   1.49874
   A127       0.65536   0.00000   0.00020   0.00011   0.00031   0.65566
   A128       0.66039   0.00001   0.00035   0.00004   0.00038   0.66077
   A129       2.14421   0.00000   0.00050   0.00014   0.00064   2.14485
   A130       1.77647   0.00002   0.00028   0.00017   0.00045   1.77692
   A131       1.47720   0.00002   0.00063   0.00023   0.00085   1.47805
   A132       1.18533   0.00003   0.00065   0.00026   0.00088   1.18621
   A133       1.63472   0.00000  -0.00024   0.00005  -0.00020   1.63451
   A134       1.88050  -0.00004  -0.00311  -0.00113  -0.00428   1.87622
   A135       2.04528  -0.00001  -0.00214  -0.00087  -0.00302   2.04226
   A136       2.45893   0.00000  -0.00118  -0.00064  -0.00187   2.45706
   A137       2.50593   0.00002  -0.00046  -0.00002  -0.00048   2.50545
   A138       1.76980  -0.00003  -0.00240  -0.00064  -0.00303   1.76677
   A139       1.71876  -0.00004  -0.00065  -0.00037  -0.00102   1.71773
   A140       0.70453   0.00000   0.00005   0.00002   0.00007   0.70460
   A141       0.83872   0.00000   0.00001  -0.00001  -0.00001   0.83871
   A142       2.48835   0.00000   0.00030   0.00008   0.00038   2.48873
   A143       2.10958   0.00002   0.00020   0.00012   0.00031   2.10989
   A144       1.88023   0.00002   0.00048   0.00019   0.00066   1.88089
   A145       1.59504   0.00002   0.00043   0.00021   0.00061   1.59565
   A146       1.84031   0.00001   0.00002   0.00002   0.00004   1.84035
   A147       1.45397  -0.00004  -0.00284  -0.00109  -0.00396   1.45000
   A148       1.66419  -0.00001  -0.00186  -0.00085  -0.00273   1.66146
   A149       2.09084   0.00000  -0.00135  -0.00075  -0.00214   2.08870
   A150       2.25670   0.00001  -0.00081  -0.00037  -0.00120   2.25549
   A151       1.47840  -0.00003  -0.00160  -0.00055  -0.00215   1.47625
   A152       1.52931  -0.00004   0.00059  -0.00018   0.00040   1.52971
   A153       0.76103   0.00001   0.00086   0.00031   0.00117   0.76220
   A154       0.76933   0.00001   0.00095   0.00029   0.00124   0.77057
   A155       2.79323   0.00001   0.00045   0.00017   0.00061   2.79384
   A156       2.41474   0.00002   0.00024   0.00018   0.00040   2.41514
   A157       2.12945   0.00003   0.00091   0.00038   0.00127   2.13073
   A158       1.83643   0.00003   0.00096   0.00041   0.00133   1.83776
   A159       2.15545   0.00001  -0.00039  -0.00008  -0.00048   2.15496
   A160       1.32160  -0.00004  -0.00344  -0.00125  -0.00472   1.31688
   A161       1.62297  -0.00002  -0.00271  -0.00112  -0.00385   1.61912
   A162       2.02703  -0.00001  -0.00264  -0.00113  -0.00379   2.02324
   A163       2.27987  -0.00001  -0.00213  -0.00092  -0.00311   2.27675
   A164       1.55988  -0.00004  -0.00201  -0.00077  -0.00279   1.55710
   A165       1.69063  -0.00005   0.00020  -0.00036  -0.00017   1.69046
   A166       2.12093   0.00000   0.00045   0.00012   0.00056   2.12149
   A167       1.82913   0.00001   0.00023   0.00014   0.00036   1.82948
   A168       1.44099   0.00001   0.00045   0.00020   0.00062   1.44161
   A169       1.16357   0.00002   0.00063   0.00026   0.00084   1.16442
   A170       1.85027   0.00000  -0.00030   0.00003  -0.00028   1.84999
   A171       2.08172  -0.00003  -0.00253  -0.00093  -0.00353   2.07819
   A172       2.36221  -0.00001  -0.00180  -0.00082  -0.00265   2.35956
   A173       2.78403   0.00000  -0.00159  -0.00079  -0.00242   2.78161
   A174       2.15902  -0.00003  -0.00185  -0.00058  -0.00243   2.15659
   A175       2.12436  -0.00004  -0.00031  -0.00034  -0.00067   2.12369
   A176       2.21518   0.00000   0.00056   0.00019   0.00074   2.21592
   A177       2.00328   0.00001   0.00036   0.00022   0.00056   2.00384
   A178       1.59204   0.00001   0.00054   0.00027   0.00079   1.59282
   A179       1.34482   0.00002   0.00080   0.00035   0.00110   1.34592
   A180       2.10703   0.00000  -0.00022   0.00011  -0.00013   2.10690
   A181       2.01043  -0.00002  -0.00217  -0.00079  -0.00304   2.00739
   A182       2.37110  -0.00001  -0.00168  -0.00078  -0.00252   2.36858
   A183       2.69876  -0.00001  -0.00207  -0.00081  -0.00293   2.69583
   A184       2.31015  -0.00003  -0.00138  -0.00053  -0.00193   2.30822
   A185       2.35329  -0.00004   0.00021  -0.00026  -0.00007   2.35322
   A186       0.68965  -0.00002  -0.00002  -0.00008  -0.00009   0.68956
   A187       0.98006  -0.00003  -0.00013  -0.00013  -0.00022   0.97984
   A188       0.69804   0.00000  -0.00009   0.00002  -0.00007   0.69797
   A189       2.05478   0.00003   0.00182   0.00066   0.00248   2.05725
   A190       1.69283   0.00002   0.00111   0.00055   0.00167   1.69450
   A191       1.34441   0.00001   0.00150   0.00069   0.00220   1.34662
   A192       1.04701   0.00001   0.00089   0.00058   0.00153   1.04854
   A193       1.62143   0.00003  -0.00015   0.00016   0.00002   1.62145
   A194       1.41052   0.00003  -0.00211  -0.00021  -0.00232   1.40820
   A195       0.66712  -0.00001  -0.00042  -0.00012  -0.00051   0.66661
   A196       2.22660   0.00001   0.00125   0.00029   0.00150   2.22811
   A197       1.83105   0.00001   0.00090   0.00033   0.00123   1.83228
   A198       1.58113   0.00000   0.00178   0.00059   0.00237   1.58350
   A199       1.26891   0.00001   0.00114   0.00059   0.00177   1.27068
   A200       1.61664   0.00001  -0.00083  -0.00005  -0.00087   1.61576
   A201       1.34750   0.00002  -0.00239  -0.00038  -0.00277   1.34473
   A202       0.71191  -0.00001  -0.00063  -0.00007  -0.00070   0.71122
   A203       2.62666   0.00000   0.00082   0.00009   0.00080   2.62745
   A204       2.23263   0.00000   0.00065   0.00021   0.00084   2.23348
   A205       1.99158  -0.00001   0.00160   0.00056   0.00217   1.99375
   A206       1.67970   0.00000   0.00099   0.00054   0.00155   1.68125
   A207       1.95864   0.00000  -0.00135  -0.00021  -0.00155   1.95710
   A208       1.67189   0.00000  -0.00251  -0.00050  -0.00300   1.66888
   A209       0.83725  -0.00002  -0.00111  -0.00019  -0.00128   0.83597
   A210       2.71177  -0.00002  -0.00113  -0.00057  -0.00179   2.70998
   A211       2.37639  -0.00001  -0.00025  -0.00012  -0.00038   2.37601
   A212       2.23695  -0.00001   0.00130   0.00041   0.00173   2.23868
   A213       1.92721  -0.00001   0.00069   0.00046   0.00119   1.92840
   A214       2.01793  -0.00001  -0.00227  -0.00045  -0.00270   2.01522
   A215       1.73329  -0.00002  -0.00284  -0.00065  -0.00348   1.72981
   A216       1.92667   0.00001   0.00095   0.00000   0.00095   1.92761
   A217       1.54772   0.00002   0.00103   0.00016   0.00120   1.54892
   A218       1.43880   0.00001   0.00219   0.00049   0.00267   1.44147
   A219       1.15439   0.00002   0.00151   0.00060   0.00217   1.15656
   A220       1.24705   0.00002  -0.00070  -0.00013  -0.00081   1.24623
   A221       0.96185   0.00001  -0.00191  -0.00042  -0.00233   0.95952
   A222       0.71444   0.00002   0.00051   0.00004   0.00059   0.71503
   A223       1.00803   0.00002   0.00089   0.00005   0.00088   1.00891
   A224       0.69942   0.00000   0.00136   0.00001   0.00138   0.70080
   A225       0.98745   0.00000   0.00220   0.00026   0.00248   0.98993
   A226       0.66068   0.00001   0.00046   0.00012   0.00055   0.66124
   A227       0.66520   0.00002   0.00186   0.00032   0.00220   0.66740
   A228       0.70589   0.00003   0.00192   0.00019   0.00210   0.70799
   A229       0.83786   0.00004   0.00167   0.00033   0.00199   0.83985
   A230       0.77934   0.00005   0.00094   0.00023   0.00116   0.78050
   A231       0.78760   0.00007   0.00006   0.00030   0.00039   0.78799
   A232       1.65966  -0.00004  -0.00275  -0.00088  -0.00362   1.65604
   A233       1.81148   0.00003  -0.00024  -0.00006  -0.00028   1.81120
   A234       2.19211  -0.00002   0.00004   0.00003   0.00006   2.19217
   A235       2.12930   0.00000   0.00003  -0.00007   0.00002   2.12933
   A236       1.96143   0.00002  -0.00010   0.00003  -0.00011   1.96132
   A237       2.12113   0.00001  -0.00027   0.00006  -0.00020   2.12094
   A238       2.12443   0.00002   0.00031   0.00015   0.00048   2.12491
   A239       2.03650  -0.00003  -0.00017  -0.00022  -0.00038   2.03612
   A240       1.76390   0.00007   0.00270   0.00155   0.00425   1.76815
   A241       2.60389  -0.00006  -0.00180  -0.00150  -0.00329   2.60060
   A242       1.91107   0.00002  -0.00025   0.00020  -0.00003   1.91104
   A243       1.91565   0.00000   0.00013   0.00008   0.00019   1.91584
   A244       1.92243  -0.00001   0.00009  -0.00009  -0.00002   1.92242
   A245       1.90801   0.00002   0.00023   0.00002   0.00025   1.90827
   A246       1.90945  -0.00001  -0.00073   0.00003  -0.00069   1.90876
   A247       1.89710  -0.00002   0.00053  -0.00025   0.00029   1.89739
   A248       1.36763  -0.00002  -0.00146  -0.00046  -0.00192   1.36571
   A249       1.90833   0.00000  -0.00007  -0.00022  -0.00029   1.90804
   A250       1.90778   0.00000   0.00004   0.00008   0.00012   1.90789
   A251       1.92776  -0.00001  -0.00014   0.00011  -0.00003   1.92773
   A252       1.91011   0.00002  -0.00012   0.00020   0.00008   1.91019
   A253       1.89548  -0.00001   0.00000  -0.00002  -0.00002   1.89546
   A254       1.91426   0.00000   0.00029  -0.00015   0.00014   1.91440
   A255       1.71423   0.00004   0.00105   0.00037   0.00142   1.71565
   A256       1.78572  -0.00004  -0.00125  -0.00072  -0.00196   1.78376
   A257       2.18967   0.00002   0.00017   0.00009   0.00026   2.18993
   A258       2.13029   0.00000  -0.00002  -0.00005  -0.00008   2.13021
   A259       1.96304  -0.00002  -0.00014  -0.00004  -0.00018   1.96286
   A260       2.12232  -0.00001   0.00027   0.00001   0.00028   2.12261
   A261       2.12448   0.00000   0.00007  -0.00009  -0.00004   2.12444
   A262       2.03634   0.00000  -0.00034   0.00008  -0.00026   2.03608
   A263       1.32125   0.00008   0.00502   0.00165   0.00666   1.32791
   A264       1.89826   0.00002   0.00036   0.00013   0.00046   1.89872
   A265       1.93261  -0.00001  -0.00023  -0.00005  -0.00026   1.93235
   A266       1.90984   0.00003  -0.00032   0.00016  -0.00018   1.90965
   A267       1.89926  -0.00001  -0.00010  -0.00016  -0.00026   1.89900
   A268       1.91197   0.00001   0.00035   0.00011   0.00049   1.91245
   A269       1.91175  -0.00005  -0.00005  -0.00019  -0.00023   1.91152
   A270       2.64006   0.00000   0.00038   0.00010   0.00047   2.64053
   A271       1.72465   0.00000  -0.00064  -0.00021  -0.00084   1.72380
   A272       1.92370  -0.00002   0.00015  -0.00005   0.00010   1.92380
   A273       1.91474   0.00002   0.00015   0.00001   0.00014   1.91488
   A274       1.91394   0.00001  -0.00003   0.00003   0.00001   1.91395
   A275       1.89495  -0.00001  -0.00021  -0.00011  -0.00031   1.89464
   A276       1.91050   0.00001  -0.00003   0.00007   0.00003   1.91053
   A277       1.90580   0.00000  -0.00003   0.00005   0.00003   1.90582
   A278       1.81491  -0.00001  -0.00129  -0.00020  -0.00149   1.81343
   A279       1.75337   0.00004   0.00046   0.00034   0.00080   1.75416
   A280       2.18898  -0.00002   0.00007   0.00010   0.00018   2.18916
   A281       2.13069  -0.00001  -0.00004  -0.00009  -0.00013   2.13056
   A282       1.96342   0.00003  -0.00003  -0.00001  -0.00004   1.96338
   A283       2.12222  -0.00002   0.00016  -0.00008   0.00009   2.12231
   A284       2.11279   0.00004   0.00057   0.00021   0.00079   2.11359
   A285       2.04468  -0.00002  -0.00078  -0.00014  -0.00093   2.04374
   A286       2.69139   0.00000   0.00105   0.00020   0.00126   2.69264
   A287       1.66826  -0.00001  -0.00114  -0.00030  -0.00144   1.66683
   A288       1.92629  -0.00001   0.00008  -0.00002   0.00007   1.92636
   A289       1.91580  -0.00001  -0.00060  -0.00017  -0.00075   1.91505
   A290       1.91199  -0.00001   0.00020   0.00003   0.00022   1.91222
   A291       1.89109   0.00000  -0.00009   0.00008  -0.00003   1.89106
   A292       1.91187   0.00001   0.00012   0.00011   0.00023   1.91209
   A293       1.90659   0.00002   0.00029  -0.00003   0.00026   1.90685
   A294       1.32284   0.00007   0.00500   0.00169   0.00669   1.32953
   A295       1.17144  -0.00006  -0.00361  -0.00146  -0.00506   1.16638
   A296       1.93446  -0.00001  -0.00034  -0.00006  -0.00038   1.93408
   A297       1.90635   0.00002  -0.00007   0.00002  -0.00007   1.90628
   A298       1.90027  -0.00002   0.00008   0.00023   0.00024   1.90051
   A299       1.90862  -0.00003   0.00050   0.00001   0.00051   1.90913
   A300       1.90053   0.00003  -0.00020  -0.00018  -0.00037   1.90016
   A301       1.91352   0.00001   0.00003  -0.00002   0.00007   1.91359
   A302       1.71580   0.00011   0.01015   0.00069   0.01083   1.72663
   A303       1.76310  -0.00003  -0.00765  -0.00107  -0.00867   1.75443
   A304       2.19393  -0.00003   0.00105  -0.00097  -0.00001   2.19392
   A305       2.12889  -0.00001  -0.00016   0.00059   0.00055   2.12945
   A306       1.96010   0.00004  -0.00087   0.00036  -0.00053   1.95956
   A307       2.12617   0.00006  -0.00043   0.00012  -0.00020   2.12597
   A308       2.12274  -0.00011  -0.00070  -0.00018  -0.00092   2.12181
   A309       2.03355   0.00004   0.00099   0.00012   0.00108   2.03463
   A310       1.41243   0.00003  -0.00168  -0.00137  -0.00299   1.40944
   A311       2.94164  -0.00005   0.00306   0.00100   0.00390   2.94554
   A312       1.90855   0.00000   0.00062  -0.00090  -0.00019   1.90836
   A313       1.92735   0.00003   0.00175   0.00033   0.00118   1.92853
   A314       1.90600   0.00001  -0.00076  -0.00006  -0.00106   1.90493
   A315       1.91419   0.00002  -0.00133   0.00053  -0.00048   1.91371
   A316       1.91286  -0.00003   0.00114  -0.00068   0.00054   1.91340
   A317       1.89478  -0.00002  -0.00143   0.00079   0.00002   1.89480
   A318       1.71005  -0.00007  -0.00319  -0.00121  -0.00436   1.70570
   A319       1.91456   0.00000   0.00072  -0.00091  -0.00017   1.91439
   A320       1.91358   0.00008   0.00108   0.00126   0.00232   1.91590
   A321       1.92401  -0.00004   0.00053  -0.00110  -0.00055   1.92346
   A322       1.90704  -0.00008  -0.00046  -0.00021  -0.00067   1.90637
   A323       1.91138   0.00005  -0.00107   0.00062  -0.00046   1.91092
   A324       1.89305   0.00000  -0.00083   0.00036  -0.00048   1.89257
   A325       2.92700  -0.00001  -0.00059  -0.00011  -0.00069   2.92631
   A326       3.36382  -0.00002  -0.00042  -0.00028  -0.00070   3.36312
   A327       3.08199  -0.00003  -0.00048  -0.00032  -0.00080   3.08119
   A328       3.28189  -0.00001  -0.00117  -0.00061  -0.00178   3.28011
   A329       3.23300   0.00003   0.00498   0.00146   0.00643   3.23943
   A330       3.23146   0.00004   0.00550   0.00170   0.00721   3.23866
   A331       3.62144  -0.00003  -0.00427  -0.00059  -0.00482   3.61662
   A332       3.21316   0.00000  -0.00036  -0.00009  -0.00046   3.21270
   A333       3.07662   0.00000  -0.00133  -0.00070  -0.00204   3.07458
   A334       3.02289   0.00000  -0.00146  -0.00075  -0.00222   3.02066
   A335       3.23478   0.00001   0.00030   0.00014   0.00044   3.23522
   A336       3.08135   0.00000  -0.00100  -0.00057  -0.00155   3.07980
   A337       3.11097  -0.00001  -0.00134  -0.00097  -0.00229   3.10868
   A338       3.03218   0.00003  -0.00345   0.00202  -0.00142   3.03076
    D1        2.75240  -0.00002   0.00037  -0.00005   0.00031   2.75271
    D2       -1.35387  -0.00002  -0.00058  -0.00046  -0.00104  -1.35492
    D3        2.74581  -0.00001   0.00170   0.00057   0.00227   2.74808
    D4       -1.36046  -0.00001   0.00076   0.00017   0.00092  -1.35954
    D5        1.63573   0.00000   0.00133   0.00047   0.00181   1.63753
    D6       -2.47054   0.00000   0.00039   0.00007   0.00045  -2.47009
    D7        1.79121   0.00001   0.00173   0.00073   0.00246   1.79368
    D8       -2.31506   0.00001   0.00079   0.00033   0.00111  -2.31395
    D9        0.27113   0.00000   0.00191   0.00070   0.00261   0.27374
   D10        2.44805   0.00000   0.00096   0.00030   0.00125   2.44930
   D11       -0.00249   0.00000   0.00188   0.00066   0.00255   0.00006
   D12        2.17442  -0.00001   0.00094   0.00026   0.00120   2.17562
   D13       -0.46735  -0.00001   0.00207   0.00067   0.00274  -0.46461
   D14        1.70956  -0.00001   0.00112   0.00027   0.00138   1.71095
   D15       -0.58605  -0.00002   0.00134   0.00045   0.00180  -0.58425
   D16        1.59087  -0.00002   0.00040   0.00005   0.00044   1.59131
   D17        0.17628   0.00000   0.00222   0.00077   0.00300   0.17928
   D18        2.35319   0.00000   0.00128   0.00037   0.00165   2.35484
   D19        0.12254  -0.00001   0.00209   0.00072   0.00282   0.12537
   D20        2.29946  -0.00001   0.00115   0.00032   0.00147   2.30093
   D21        2.31857  -0.00001   0.00274   0.00094   0.00368   2.32225
   D22       -1.78770  -0.00001   0.00180   0.00054   0.00233  -1.78538
   D23        2.06627   0.00001   0.00269   0.00106   0.00375   2.07003
   D24       -2.04000   0.00001   0.00175   0.00066   0.00240  -2.03760
   D25        1.62826   0.00002   0.00287   0.00108   0.00394   1.63220
   D26       -2.47802   0.00002   0.00193   0.00068   0.00259  -2.47543
   D27        1.32088   0.00003   0.00308   0.00114   0.00419   1.32506
   D28       -2.78539   0.00003   0.00213   0.00074   0.00283  -2.78256
   D29        2.26087  -0.00001   0.00202   0.00113   0.00315   2.26402
   D30       -1.84540  -0.00001   0.00107   0.00073   0.00180  -1.84361
   D31       -1.90523   0.00003   0.00475   0.00168   0.00645  -1.89878
   D32        0.27168   0.00002   0.00381   0.00128   0.00510   0.27678
   D33       -2.22834   0.00000   0.00389   0.00152   0.00542  -2.22292
   D34       -0.05142   0.00000   0.00294   0.00112   0.00406  -0.04736
   D35       -2.61799   0.00000   0.00406   0.00159   0.00567  -2.61232
   D36       -0.44107   0.00000   0.00311   0.00119   0.00432  -0.43675
   D37       -2.90034  -0.00001   0.00355   0.00147   0.00504  -2.89530
   D38       -0.72343  -0.00001   0.00261   0.00107   0.00369  -0.71974
   D39       -2.20263   0.00001   0.00291   0.00116   0.00406  -2.19857
   D40       -0.02572   0.00001   0.00196   0.00076   0.00271  -0.02301
   D41       -2.43840   0.00002  -0.00071   0.00055  -0.00016  -2.43857
   D42       -0.26149   0.00002  -0.00165   0.00015  -0.00152  -0.26301
   D43        1.31209  -0.00001  -0.00239  -0.00084  -0.00324   1.30885
   D44       -1.97886  -0.00001   0.00013   0.00032   0.00044  -1.97842
   D45        2.47410   0.00000  -0.00129  -0.00025  -0.00154   2.47256
   D46       -0.81685   0.00000   0.00123   0.00092   0.00214  -0.81470
   D47        2.93740   0.00002  -0.00096   0.00004  -0.00092   2.93648
   D48       -0.35355   0.00001   0.00156   0.00120   0.00276  -0.35078
   D49        2.84565  -0.00001  -0.00058   0.00001  -0.00057   2.84508
   D50       -0.44530  -0.00001   0.00194   0.00118   0.00311  -0.44219
   D51        2.03642   0.00000   0.00001   0.00032   0.00034   2.03677
   D52       -1.25452   0.00000   0.00253   0.00148   0.00402  -1.25050
   D53        1.16086   0.00002   0.00093   0.00055   0.00149   1.16235
   D54       -2.13009   0.00001   0.00344   0.00172   0.00517  -2.12492
   D55        1.04009  -0.00001  -0.00118  -0.00019  -0.00136   1.03873
   D56       -2.25085  -0.00001   0.00134   0.00097   0.00232  -2.24853
   D57        2.02866   0.00000  -0.00035   0.00013  -0.00020   2.02845
   D58       -1.26229   0.00000   0.00217   0.00129   0.00348  -1.25881
   D59        1.85084   0.00000  -0.00066  -0.00004  -0.00068   1.85016
   D60       -1.44011  -0.00001   0.00186   0.00112   0.00300  -1.43711
   D61       -2.30821   0.00000   0.00010   0.00020   0.00031  -2.30790
   D62        0.68403  -0.00001   0.00262   0.00137   0.00399   0.68802
   D63       -2.43282   0.00000  -0.00055   0.00006  -0.00049  -2.43331
   D64        0.55942   0.00000   0.00196   0.00123   0.00319   0.56261
   D65       -2.83304   0.00000  -0.00054   0.00007  -0.00048  -2.83352
   D66        0.15920   0.00000   0.00197   0.00123   0.00320   0.16240
   D67       -3.00975   0.00001  -0.00028   0.00013  -0.00016  -3.00991
   D68       -0.01751   0.00001   0.00224   0.00130   0.00352  -0.01399
   D69       -2.14694  -0.00001  -0.00154  -0.00013  -0.00167  -2.14861
   D70        0.84530  -0.00002   0.00097   0.00104   0.00201   0.84731
   D71       -0.20519   0.00001   0.00031   0.00022   0.00055  -0.20463
   D72        2.78705   0.00000   0.00283   0.00139   0.00423   2.79129
   D73       -0.60037   0.00001   0.00012   0.00029   0.00041  -0.59996
   D74        2.39187   0.00000   0.00264   0.00146   0.00409   2.39596
   D75       -0.81403   0.00001   0.00148   0.00074   0.00220  -0.81183
   D76        2.17821   0.00000   0.00399   0.00190   0.00588   2.18409
   D77       -1.15036   0.00001   0.00099   0.00083   0.00181  -1.14855
   D78        1.84188   0.00001   0.00350   0.00199   0.00549   1.84737
   D79       -0.84550   0.00001  -0.00190  -0.00018  -0.00208  -0.84758
   D80        2.14674   0.00000   0.00062   0.00098   0.00160   2.14834
   D81       -1.14650   0.00000  -0.00368  -0.00063  -0.00433  -1.15083
   D82        1.84574   0.00000  -0.00116   0.00054  -0.00065   1.84509
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   D87        0.31334  -0.00001   0.00035   0.00009   0.00044   0.31378
   D88       -0.06370  -0.00001   0.00039   0.00012   0.00051  -0.06319
   D89       -0.39342  -0.00002   0.00010  -0.00003   0.00007  -0.39335
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   D94        1.63627   0.00001   0.00095   0.00033   0.00126   1.63753
   D95        1.35024   0.00002   0.00110   0.00038   0.00145   1.35169
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   D98       -2.50345   0.00001   0.00180   0.00064   0.00246  -2.50098
   D99       -2.73498   0.00001   0.00243   0.00078   0.00321  -2.73177
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   D147      -2.37096  -0.00002  -0.00405  -0.00139  -0.00543  -2.37639
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   D149       2.65231   0.00001  -0.00180  -0.00067  -0.00246   2.64986
   D150       1.52977  -0.00001  -0.00266  -0.00069  -0.00335   1.52642
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   D298      -2.29407   0.00001  -0.00091  -0.00070  -0.00161  -2.29568
   D299      -0.21907   0.00001  -0.00205  -0.00101  -0.00307  -0.22214
   D300      -1.91058   0.00001  -0.00134  -0.00072  -0.00206  -1.91264
   D301       0.16441   0.00001  -0.00248  -0.00103  -0.00352   0.16089
   D302      -1.86735   0.00002  -0.00041  -0.00033  -0.00074  -1.86809
   D303       0.20765   0.00001  -0.00155  -0.00064  -0.00220   0.20545
   D304      -2.64371   0.00001  -0.00137  -0.00075  -0.00211  -2.64582
   D305      -0.56871   0.00000  -0.00251  -0.00106  -0.00357  -0.57228
   D306      -2.78363   0.00000  -0.00140  -0.00071  -0.00209  -2.78572
   D307      -0.70863   0.00000  -0.00254  -0.00102  -0.00355  -0.71218
   D308       1.54024   0.00001  -0.00249  -0.00089  -0.00338   1.53687
   D309      -2.66794   0.00001  -0.00363  -0.00120  -0.00483  -2.67278
   D310       2.63761  -0.00001  -0.00199  -0.00099  -0.00297   2.63465
   D311      -1.57057  -0.00001  -0.00313  -0.00130  -0.00443  -1.57500
   D312       3.01863  -0.00001  -0.00141  -0.00091  -0.00228   3.01635
   D313      -1.18955  -0.00001  -0.00255  -0.00122  -0.00374  -1.19330
   D314      -0.36612  -0.00003  -0.00425  -0.00191  -0.00616  -0.37228
   D315       1.70887  -0.00003  -0.00539  -0.00222  -0.00762   1.70126
   D316      -0.24926   0.00000  -0.00300  -0.00156  -0.00456  -0.25383
   D317       1.82574   0.00000  -0.00414  -0.00187  -0.00602   1.81971
   D318       0.16472   0.00001  -0.00221  -0.00139  -0.00363   0.16109
   D319       2.23972   0.00001  -0.00335  -0.00170  -0.00509   2.23463
   D320       0.29912   0.00002  -0.00221  -0.00113  -0.00335   0.29577
   D321       2.37412   0.00002  -0.00335  -0.00144  -0.00481   2.36930
   D322      -0.53468  -0.00002  -0.00336  -0.00139  -0.00474  -0.53943
   D323       1.54032  -0.00003  -0.00450  -0.00170  -0.00620   1.53411
   D324      -0.58740  -0.00004  -0.00147  -0.00117  -0.00265  -0.59005
   D325       1.48760  -0.00005  -0.00260  -0.00148  -0.00411   1.48349
   D326      -0.02210   0.00002   0.00013  -0.00041  -0.00030  -0.02240
   D327       2.15968   0.00003   0.00112   0.00011   0.00120   2.16088
   D328       0.30977   0.00000  -0.00061  -0.00061  -0.00123   0.30854
   D329       2.49155   0.00001   0.00038  -0.00009   0.00026   2.49182
   D330       0.67082  -0.00001  -0.00060  -0.00062  -0.00119   0.66963
   D331       2.85260   0.00000   0.00039  -0.00010   0.00030   2.85290
   D332       0.95450  -0.00002  -0.00102  -0.00070  -0.00167   0.95283
   D333       3.13628   0.00000  -0.00002  -0.00018  -0.00018   3.13610
   D334       0.30339  -0.00001  -0.00204  -0.00110  -0.00319   0.30020
   D335       2.48517   0.00001  -0.00104  -0.00058  -0.00170   2.48347
   D336       0.67181   0.00000  -0.00187  -0.00080  -0.00266   0.66915
   D337       2.85359   0.00001  -0.00087  -0.00028  -0.00117   2.85243
   D338      -2.42521   0.00000  -0.00018  -0.00050  -0.00064  -2.42585
   D339      -0.24343   0.00001   0.00081   0.00002   0.00085  -0.24257
   D340      -2.02917  -0.00001  -0.00069  -0.00066  -0.00128  -2.03045
   D341       0.15262   0.00001   0.00030  -0.00014   0.00021   0.15283
   D342      -1.97600   0.00000  -0.00040  -0.00058  -0.00093  -1.97693
   D343       0.20578   0.00001   0.00059  -0.00006   0.00057   0.20635
   D344      -1.68218   0.00000  -0.00084  -0.00066  -0.00145  -1.68363
   D345       0.49960   0.00001   0.00015  -0.00014   0.00005   0.49965
   D346      -1.64356  -0.00001  -0.00110  -0.00092  -0.00192  -1.64548
   D347       0.53822   0.00000  -0.00010  -0.00040  -0.00043   0.53779
   D348      -1.33070  -0.00001  -0.00127  -0.00096  -0.00216  -1.33287
   D349       0.85108   0.00000  -0.00028  -0.00044  -0.00067   0.85041
   D350       1.73612   0.00000   0.00040  -0.00023   0.00023   1.73635
   D351      -2.36529   0.00002   0.00139   0.00029   0.00173  -2.36356
   D352       2.14015   0.00000   0.00135   0.00007   0.00146   2.14161
   D353      -1.96125   0.00002   0.00234   0.00059   0.00296  -1.95830
   D354       2.30824   0.00002   0.00361   0.00100   0.00462   2.31286
   D355      -1.79316   0.00004   0.00460   0.00152   0.00611  -1.78705
   D356       2.93516   0.00001   0.00469   0.00104   0.00546   2.94062
   D357      -1.16625   0.00002   0.00568   0.00156   0.00695  -1.15929
   D358       2.49156   0.00000   0.00069  -0.00022   0.00047   2.49202
   D359      -1.60985   0.00002   0.00168   0.00030   0.00196  -1.60789
   D360       1.61901  -0.00004  -0.00303  -0.00130  -0.00428   1.61473
   D361      -2.48239  -0.00003  -0.00204  -0.00078  -0.00279  -2.48518
   D362       1.76080  -0.00005  -0.00175  -0.00132  -0.00310   1.75770
   D363      -2.34061  -0.00004  -0.00076  -0.00080  -0.00160  -2.34221
   D364       2.74120   0.00000  -0.00110  -0.00101  -0.00214   2.73906
   D365      -1.36021   0.00002  -0.00011  -0.00049  -0.00064  -1.36085
   D366       2.70896   0.00002  -0.00265  -0.00105  -0.00369   2.70527
   D367      -1.39244   0.00004  -0.00166  -0.00053  -0.00219  -1.39464
   D368       0.02035   0.00002   0.00126   0.00103   0.00227   0.02262
   D369      -2.74094   0.00002   0.00072  -0.00019   0.00054  -2.74040
   D370       0.41614   0.00001   0.00151   0.00118   0.00267   0.41881
   D371      -2.34515   0.00000   0.00097  -0.00004   0.00094  -2.34421
   D372       0.59528   0.00001   0.00237   0.00154   0.00387   0.59915
   D373      -2.16601   0.00000   0.00184   0.00032   0.00214  -2.16387
   D374       0.87450   0.00000   0.00168   0.00126   0.00291   0.87741
   D375      -1.88679  -0.00001   0.00115   0.00004   0.00118  -1.88561
   D376       0.69507   0.00000   0.00044   0.00085   0.00126   0.69633
   D377      -2.06622   0.00000  -0.00010  -0.00037  -0.00048  -2.06670
   D378       1.02383   0.00000   0.00048   0.00095   0.00142   1.02525
   D379      -1.73746  -0.00001  -0.00005  -0.00027  -0.00032  -1.73778
   D380      -2.86269   0.00002   0.00323   0.00181   0.00502  -2.85767
   D381       0.65921   0.00001   0.00270   0.00059   0.00328   0.66249
   D382      -2.30760   0.00002   0.00335   0.00177   0.00506  -2.30254
   D383       1.21429   0.00001   0.00282   0.00055   0.00333   1.21762
   D384      -2.01074   0.00001   0.00199   0.00125   0.00322  -2.00752
   D385       1.51115   0.00000   0.00146   0.00003   0.00149   1.51264
   D386      -1.65802   0.00001   0.00097   0.00092   0.00186  -1.65617
   D387       1.86387   0.00000   0.00043  -0.00030   0.00012   1.86399
   D388      -1.79113   0.00003   0.00423   0.00156   0.00577  -1.78536
   D389       1.73077   0.00002   0.00369   0.00034   0.00403   1.73480
   D390      -1.07112   0.00003   0.00064   0.00025   0.00097  -1.07015
   D391       2.45077   0.00002   0.00010  -0.00097  -0.00077   2.45001
   D392       1.76232   0.00000   0.00118   0.00099   0.00216   1.76448
   D393      -0.99897  -0.00001   0.00065  -0.00023   0.00043  -0.99855
   D394       2.06163  -0.00001   0.00106   0.00100   0.00207   2.06370
   D395      -0.69966  -0.00001   0.00053  -0.00021   0.00033  -0.69933
   D396       2.00623  -0.00001   0.00089   0.00112   0.00204   2.00826
   D397      -0.75506  -0.00002   0.00036  -0.00010   0.00030  -0.75476
   D398       2.19459  -0.00001   0.00149   0.00137   0.00291   2.19750
   D399      -0.56670  -0.00002   0.00095   0.00015   0.00118  -0.56553
   D400       2.46597   0.00000   0.00076   0.00096   0.00170   2.46767
   D401      -0.29532  -0.00001   0.00022  -0.00026  -0.00003  -0.29535
   D402      -1.48560  -0.00004  -0.00184   0.00007  -0.00174  -1.48734
   D403       2.03629  -0.00005  -0.00237  -0.00115  -0.00347   2.03282
   D404      -2.59220   0.00001  -0.00241   0.00022  -0.00217  -2.59438
   D405       0.92969   0.00000  -0.00295  -0.00100  -0.00391   0.92578
   D406      -2.96308   0.00003  -0.00343   0.00002  -0.00340  -2.96648
   D407       0.55882   0.00002  -0.00396  -0.00120  -0.00513   0.55369
   D408       1.82336   0.00001   0.00489   0.00045   0.00534   1.82871
   D409       2.32162  -0.00001   0.00574   0.00067   0.00642   2.32804
   D410       2.53942   0.00000   0.00578   0.00082   0.00661   2.54602
   D411       2.78171  -0.00001   0.00495   0.00057   0.00552   2.78724
   D412       2.75863   0.00000   0.00708   0.00088   0.00799   2.76662
   D413      -3.04297   0.00000   0.00727   0.00104   0.00832  -3.03465
   D414      -0.84186   0.00001   0.00503   0.00059   0.00562  -0.83623
   D415      -0.46564   0.00001   0.00481   0.00059   0.00541  -0.46023
   D416      -0.14819   0.00000   0.00518   0.00062   0.00581  -0.14238
   D417       0.15923   0.00001   0.00502   0.00063   0.00564   0.16486
   D418      -0.34042   0.00000   0.00406   0.00046   0.00453  -0.33590
   D419      -0.02959   0.00000   0.00341   0.00037   0.00379  -0.02579
   D420      -2.63609   0.00000   0.00483   0.00053   0.00534  -2.63075
   D421      -2.25601  -0.00001   0.00493   0.00049   0.00541  -2.25059
   D422      -2.01583   0.00000   0.00536   0.00064   0.00599  -2.00984
   D423      -1.70154  -0.00001   0.00525   0.00061   0.00588  -1.69566
   D424      -2.03750  -0.00001   0.00442   0.00036   0.00477  -2.03273
   D425       1.35086  -0.00001   0.00266  -0.00042   0.00218   1.35304
   D426       2.49426   0.00000   0.00104  -0.00050   0.00055   2.49481
   D427       2.94559  -0.00003   0.00165  -0.00061   0.00099   2.94658
   D428      -3.06971   0.00001   0.00094  -0.00029   0.00065  -3.06906
   D429       0.01933   0.00002  -0.00095  -0.00065  -0.00161   0.01772
   D430       0.04418   0.00001   0.00011  -0.00035  -0.00022   0.04395
   D431       3.13322   0.00002  -0.00178  -0.00071  -0.00249   3.13073
   D432      -0.03680  -0.00005  -0.00490  -0.00205  -0.00695  -0.04375
   D433       2.05773  -0.00001  -0.00470  -0.00184  -0.00654   2.05118
   D434      -2.13731  -0.00004  -0.00391  -0.00216  -0.00607  -2.14339
   D435      -3.12837  -0.00006  -0.00311  -0.00171  -0.00482  -3.13319
   D436      -1.03384  -0.00003  -0.00291  -0.00151  -0.00441  -1.03825
   D437       1.05431  -0.00006  -0.00212  -0.00182  -0.00394   1.05036
   D438      -2.34556  -0.00002   0.00259   0.00092   0.00351  -2.34206
   D439      -0.25494   0.00000   0.00242   0.00108   0.00350  -0.25145
   D440       1.85276  -0.00001   0.00272   0.00101   0.00372   1.85649
   D441       0.74590  -0.00001   0.00077   0.00057   0.00135   0.74725
   D442       2.83652   0.00001   0.00060   0.00074   0.00134   2.83786
   D443      -1.33896   0.00001   0.00090   0.00067   0.00157  -1.33739
   D444      -0.01144   0.00002   0.00003   0.00050   0.00054  -0.01091
   D445       3.11891   0.00002  -0.00094   0.00008  -0.00086   3.11805
   D446      -3.13249   0.00003  -0.00018   0.00067   0.00050  -3.13199
   D447      -0.00214   0.00003  -0.00115   0.00025  -0.00090  -0.00303
   D448       2.45983  -0.00002  -0.00462  -0.00164  -0.00627   2.45356
   D449      -1.73721  -0.00002  -0.00466  -0.00179  -0.00645  -1.74366
   D450       0.37178  -0.00006  -0.00507  -0.00195  -0.00702   0.36475
   D451      -0.67107  -0.00002  -0.00370  -0.00124  -0.00494  -0.67600
   D452       1.41508  -0.00002  -0.00373  -0.00139  -0.00513   1.40996
   D453      -2.75911  -0.00006  -0.00415  -0.00154  -0.00570  -2.76481
   D454       2.06645   0.00000   0.00138   0.00035   0.00173   2.06818
   D455      -2.13101  -0.00001   0.00131   0.00019   0.00149  -2.12952
   D456      -0.03798   0.00000   0.00134   0.00028   0.00162  -0.03637
   D457      -1.08586   0.00000   0.00046  -0.00005   0.00040  -1.08545
   D458       0.99987  -0.00001   0.00039  -0.00021   0.00017   1.00004
   D459       3.09290   0.00000   0.00042  -0.00012   0.00029   3.09319
   D460      -3.07424   0.00000  -0.00134  -0.00020  -0.00155  -3.07579
   D461      -0.02493  -0.00002  -0.00185  -0.00039  -0.00224  -0.02717
   D462       0.08195  -0.00003  -0.00155  -0.00016  -0.00172   0.08023
   D463       3.13126  -0.00005  -0.00206  -0.00035  -0.00241   3.12885
   D464       1.92758  -0.00002   0.00025  -0.00047  -0.00022   1.92735
   D465      -2.27239  -0.00003  -0.00019  -0.00050  -0.00069  -2.27307
   D466      -0.17894  -0.00003  -0.00008  -0.00062  -0.00069  -0.17963
   D467      -1.12518   0.00000   0.00067  -0.00031   0.00036  -1.12482
   D468       0.95804  -0.00002   0.00024  -0.00034  -0.00011   0.95794
   D469       3.05149  -0.00001   0.00035  -0.00046  -0.00011   3.05138
   D470      -1.59652  -0.00002  -0.00656  -0.00198  -0.00855  -1.60507
   D471       0.50749  -0.00006  -0.00620  -0.00200  -0.00820   0.49929
   D472       2.59656  -0.00004  -0.00615  -0.00187  -0.00801   2.58855
   D473       1.45675  -0.00004  -0.00700  -0.00216  -0.00916   1.44759
   D474      -2.72243  -0.00007  -0.00664  -0.00218  -0.00881  -2.73124
   D475      -0.63336  -0.00006  -0.00660  -0.00205  -0.00863  -0.64199
   D476       0.01061  -0.00011  -0.00890   0.00047  -0.00845   0.00216
   D477      -3.08839  -0.00011  -0.00610  -0.00121  -0.00737  -3.09575
   D478       3.12778  -0.00002  -0.00733  -0.00072  -0.00804   3.11975
   D479       0.02879  -0.00002  -0.00453  -0.00240  -0.00696   0.02183
   D480      -0.26056  -0.00001  -0.00591  -0.00281  -0.00864  -0.26920
   D481       1.84730   0.00003  -0.00606  -0.00252  -0.00861   1.83868
   D482      -2.35359   0.00002  -0.00722  -0.00139  -0.00853  -2.36213
   D483       2.84049  -0.00001  -0.00859  -0.00121  -0.00971   2.83078
   D484      -1.33483   0.00003  -0.00874  -0.00093  -0.00969  -1.34452
   D485       0.74746   0.00002  -0.00990   0.00021  -0.00961   0.73786
   D486       0.00562   0.00007   0.00204   0.00225   0.00435   0.00997
   D487       2.09983   0.00002   0.00259   0.00221   0.00486   2.10469
   D488      -2.10050   0.00004   0.00257   0.00277   0.00538  -2.09513
   D489      -3.09553   0.00007   0.00474   0.00065   0.00540  -3.09012
   D490      -1.00131   0.00002   0.00529   0.00061   0.00591  -0.99540
   D491       1.08154   0.00004   0.00527   0.00117   0.00643   1.08797
         Item               Value     Threshold  Converged?
 Maximum Force            0.000114     0.000450     YES
 RMS     Force            0.000023     0.000300     YES
 Maximum Displacement     0.030839     0.001800     NO 
 RMS     Displacement     0.003871     0.001200     NO 
 Predicted change in Energy=-1.091211D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:08:45 2016, MaxMem=  2952790016 cpu:         4.7
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.869319   -0.605701    1.687444
      2          6           0       -2.137317    1.012150   -1.412147
      3          8           0       -2.608742    0.027128   -2.005227
      4          7           0       -0.865708    1.117135   -0.936122
      5          1           0       -2.746991    1.910748   -1.189019
      6          6           0       -0.429231    2.285878   -0.170527
      7          1           0       -1.251408    3.012187   -0.109526
      8          1           0       -0.138364    1.977683    0.846824
      9          1           0        0.439151    2.757072   -0.659114
     10          6           0        0.111952    0.039766   -1.105325
     11          1           0        0.633872   -0.131869   -0.150937
     12          1           0       -0.408278   -0.878447   -1.407670
     13          1           0        0.857844    0.312993   -1.869903
     14          6           0       -1.975568   -4.038399    2.624612
     15          8           0       -2.136194   -3.885596    3.847614
     16          7           0       -2.892144   -3.739780    1.664481
     17          1           0       -1.028719   -4.426500    2.199907
     18          6           0       -4.211650   -3.200293    2.003420
     19          1           0       -4.480285   -2.429353    1.264092
     20          1           0       -4.975513   -3.995342    1.981483
     21          1           0       -4.176577   -2.752764    3.005345
     22          6           0       -2.604778   -3.926220    0.242057
     23          1           0       -3.304867   -4.656647   -0.195652
     24          1           0       -2.720472   -2.967174   -0.289613
     25          1           0       -1.574108   -4.286548    0.117180
     26          6           0        1.532081    0.366728    2.615915
     27          8           0        1.372413    1.384049    3.311457
     28          7           0        1.141937   -0.891465    2.957250
     29          1           0        2.010652    0.405887    1.617481
     30          6           0        1.444564   -2.044652    2.108975
     31          1           0        2.191302   -2.694171    2.596017
     32          1           0        0.528827   -2.633790    1.941871
     33          1           0        1.833755   -1.697894    1.141938
     34          6           0        0.501529   -1.161546    4.247363
     35          1           0        1.251896   -1.439926    5.006935
     36          1           0       -0.036499   -0.264133    4.578587
     37          1           0       -0.207034   -1.993465    4.125838
     38          6           0       -4.534536    1.371155    2.884433
     39          8           0       -4.740929    2.053241    1.866685
     40          7           0       -3.445274    1.464100    3.695653
     41          1           0       -5.239272    0.581714    3.215802
     42          6           0       -2.367710    2.421193    3.434654
     43          1           0       -2.454533    2.794688    2.406696
     44          1           0       -2.421658    3.265853    4.141932
     45          1           0       -1.397414    1.916801    3.564283
     46          6           0       -3.266715    0.574355    4.843242
     47          1           0       -4.110673   -0.127138    4.902689
     48          1           0       -2.328630    0.005298    4.731725
     49          1           0       -3.209897    1.161145    5.774797
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.506670   0.000000
     3  O    3.818775   1.242681   0.000000
     4  N    3.295223   1.361841   2.317169   0.000000
     5  H    3.921334   1.108588   2.057507   2.057427   0.000000
     6  C    3.726544   2.466082   3.635704   1.463764   2.559308
     7  H    4.086567   2.545939   3.787693   2.103152   2.148311
     8  H    3.221291   3.167178   4.247544   2.109138   3.309693
     9  H    4.705699   3.201562   4.307467   2.113949   3.338946
    10  C    3.484482   2.469592   2.865687   1.464641   3.417768
    11  H    3.141675   3.252525   3.738745   2.103632   4.084132
    12  H    3.433477   2.562022   2.453402   2.100940   3.646505
    13  H    4.575602   3.109558   3.480984   2.118779   4.001407
    14  C    3.559914   6.467584   6.193935   6.363187   7.108532
    15  O    3.936403   7.187003   7.056094   7.037441   7.703139
    16  N    3.296840   5.711064   5.266562   5.870197   6.331825
    17  H    3.945596   6.622299   6.325696   6.371275   7.389045
    18  C    3.509739   5.806345   5.390252   6.202937   6.201584
    19  H    3.212800   4.949313   4.497268   5.521204   5.278119
    20  H    4.607013   6.681846   6.138056   7.179160   7.064014
    21  H    3.416165   6.152024   5.940686   6.439964   6.433098
    22  C    3.695388   5.228997   4.547445   5.463323   6.011522
    23  H    4.692229   5.914245   5.069211   6.311446   6.665484
    24  H    3.195273   4.175545   3.452775   4.532075   4.960217
    25  H    4.012669   5.543668   4.917609   5.550772   6.441140
    26  C    3.657485   5.486924   6.214234   4.350801   5.930597
    27  O    4.135861   5.896520   6.779230   4.808571   6.123821
    28  N    3.280507   5.785230   6.287892   4.819072   6.337800
    29  H    4.010284   5.172219   5.882709   3.911547   5.725051
    30  C    3.637319   5.879814   6.135815   4.960531   6.640112
    31  H    4.655733   6.967004   7.184521   6.028878   7.740705
    32  H    3.151029   5.625891   5.701264   4.929200   6.417654
    33  H    3.899130   5.443997   5.711053   4.419256   6.280039
    34  C    3.533139   6.611998   7.083899   5.824967   7.038901
    35  H    4.632163   7.661858   8.138010   6.807550   8.099874
    36  H    3.440146   6.475433   7.074452   5.745215   6.733658
    37  H    3.261111   6.590069   6.887740   5.977719   7.066963
    38  C    3.527623   4.933168   5.424378   5.302968   4.481015
    39  O    3.917684   4.314325   4.862413   4.873331   3.651495
    40  N    3.286429   5.291941   5.938410   5.312992   4.954505
    41  H    3.886183   5.587961   5.872512   6.054189   5.232613
    42  C    3.530329   5.052718   5.948273   4.802110   4.667200
    43  H    3.524549   4.226302   5.210397   4.063616   3.714303
    44  H    4.617198   6.000652   6.950677   5.729276   5.510099
    45  H    3.179345   5.111820   6.004800   4.601719   4.941181
    46  C    3.647507   6.371585   6.901733   6.281758   6.200341
    47  H    3.948480   6.713365   7.070990   6.794831   6.566697
    48  H    3.138779   6.228766   6.742809   5.958256   6.233857
    49  H    4.650306   7.268067   7.885186   7.108698   7.019325
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098736   0.000000
     8  H    1.102084   1.795458   0.000000
     9  H    1.102193   1.795862   1.791318   0.000000
    10  C    2.492338   3.418429   2.762076   2.773070   0.000000
    11  H    2.641226   3.666209   2.458066   2.939752   1.101233
    12  H    3.397634   4.187253   3.648709   3.807292   1.097801
    13  H    2.904603   3.851431   3.338298   2.759500   1.102537
    14  C    7.085227   7.596755   6.536750   7.924150   5.907757
    15  O    7.559514   8.001326   6.882885   8.430186   6.707773
    16  N    6.763265   7.171345   6.398535   7.661965   5.566093
    17  H    7.143833   7.792120   6.605840   7.869711   5.672144
    18  C    7.009337   7.198784   6.688857   8.013067   6.233443
    19  H    6.379857   6.474785   6.200674   7.402606   5.727070
    20  H    8.046958   8.206506   7.769330   9.049112   7.189769
    21  H    7.036809   7.175911   6.583579   8.067930   6.564093
    22  C    6.594951   7.077903   6.426897   7.398919   4.992504
    23  H    7.514556   7.939466   7.424811   8.318395   5.878643
    24  H    5.732235   6.159817   5.693011   6.548797   4.210664
    25  H    6.677597   7.309382   6.467946   7.366711   4.801490
    26  C    3.910772   4.708959   2.918090   4.199292   3.996410
    27  O    4.022863   4.608514   2.951147   4.303673   4.785794
    28  N    4.727268   5.511054   3.784849   5.184961   4.293317
    29  H    3.561512   4.518450   2.771773   3.630505   3.339577
    30  C    5.240298   6.145050   4.503095   5.632914   4.056152
    31  H    6.270713   7.192687   5.505746   6.586499   5.049558
    32  H    5.439047   6.265344   4.786435   5.986198   4.075180
    33  H    4.765932   5.767952   4.181653   5.003542   3.321785
    34  C    5.680563   6.282939   4.672033   6.279568   5.499653
    35  H    6.596508   7.229525   5.560522   7.097849   6.391297
    36  H    5.404708   5.847109   4.354557   6.065264   5.693965
    37  H    6.068023   6.639698   5.150405   6.773546   5.621463
    38  C    5.198367   4.736634   4.883242   6.262192   6.267425
    39  O    4.774420   4.123316   4.714809   5.805881   6.036338
    40  N    4.971838   4.657146   4.394911   5.977000   6.142636
    41  H    6.124368   5.733067   5.794829   7.210523   6.899380
    42  C    4.095526   3.762528   3.444350   4.974959   5.694851
    43  H    3.317048   2.797532   2.909525   4.215923   5.148857
    44  H    4.850507   4.416869   4.210766   5.611874   6.660370
    45  H    3.875874   3.836413   2.995580   4.681464   5.254206
    46  C    6.009867   5.876597   5.265668   6.983811   6.861969
    47  H    6.716634   6.569098   6.054713   7.742946   7.345383
    48  H    5.730692   5.799957   4.876477   6.655375   6.326830
    49  H    6.659129   6.472039   5.863955   7.566884   7.721933
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795225   0.000000
    13  H    1.789668   1.798959   0.000000
    14  C    5.456539   5.357331   6.867569   0.000000
    15  O    6.144276   6.296558   7.699507   1.242934   0.000000
    16  N    5.361488   4.878005   6.555857   1.360565   2.314907
    17  H    5.170544   5.097866   6.525739   1.107935   2.057673
    18  C    6.126627   5.611786   7.283240   2.467461   2.859757
    19  H    5.782330   5.111249   6.770377   3.273171   3.780211
    20  H    7.137144   6.485447   8.211150   3.068409   3.399445
    21  H    6.322312   6.098184   7.649334   2.577258   2.481107
    22  C    5.004037   4.103063   5.866945   2.466791   3.636106
    23  H    5.999106   4.912637   6.695416   3.178545   4.278822
    24  H    4.394292   3.310448   5.105013   3.192979   4.278029
    25  H    4.712581   3.911455   5.569441   2.551462   3.793790
    26  C    2.951415   4.637315   4.536524   5.631059   5.749398
    27  O    3.851185   5.528102   5.315867   6.409655   6.353498
    28  N    3.239744   4.632048   4.983256   4.442149   4.528102
    29  H    2.304779   4.080720   3.674159   6.054415   6.370765
    30  C    3.069717   4.142445   4.661996   3.992270   4.385632
    31  H    4.066539   5.107268   5.546674   4.378422   4.659743
    32  H    3.263509   3.896001   4.829225   2.951450   3.507308
    33  H    2.358745   3.492665   3.750635   4.710332   5.278940
    34  C    4.519158   5.734745   6.302553   4.128634   3.812850
    35  H    5.356922   6.649707   7.107666   4.779545   4.336413
    36  H    4.778628   6.029169   6.535744   4.671519   4.249474
    37  H    4.739564   5.648317   6.511730   3.092434   2.716472
    38  C    6.179401   6.364658   7.266442   5.989917   5.857746
    39  O    6.142799   6.171553   6.952468   6.732738   6.780745
    40  N    5.829477   6.383947   7.128625   5.795228   5.509630
    41  H    6.807198   6.844492   7.944270   5.687417   5.475869
    42  C    5.327671   6.178600   6.556450   6.521984   6.324533
    43  H    4.964319   5.677013   5.951466   6.853319   6.841328
    44  H    6.269729   7.212975   7.457659   7.473510   7.163192
    45  H    4.703832   5.788966   6.098260   6.056538   5.856098
    46  C    6.376139   7.025325   7.883312   5.278909   4.707495
    47  H    6.931801   7.354782   8.411176   5.004625   4.374672
    48  H    5.712760   6.493145   7.336879   4.573409   3.994713
    49  H    7.180582   7.974762   8.700995   6.203426   5.507854
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056847   0.000000
    18  C    1.465271   3.416612   0.000000
    19  H    2.097551   4.096054   1.101417   0.000000
    20  H    2.122787   3.976278   1.102755   1.792267   0.000000
    21  H    2.102828   3.655015   1.097892   1.796885   1.797385
    22  C    1.463089   2.562698   2.492270   2.608198   2.941219
    23  H    2.114492   3.312479   2.789110   2.910893   2.822817
    24  H    2.108288   3.345052   2.745170   2.408359   3.361580
    25  H    2.104831   2.157495   3.419719   3.634617   3.889727
    26  C    6.110843   5.450302   6.788905   6.767129   7.859957
    27  O    6.866776   6.384627   7.342269   7.279273   8.426318
    28  N    5.104700   4.216846   5.907738   6.069701   6.928879
    29  H    6.420761   5.738376   7.202119   7.091949   8.264975
    30  C    4.677401   3.434909   5.774029   5.997138   6.711098
    31  H    5.272806   3.677826   6.450203   6.808394   7.309852
    32  H    3.605996   2.388795   4.774604   5.058892   5.670375
    33  H    5.174599   4.093695   6.288583   6.357441   7.235277
    34  C    4.983532   4.146524   5.604090   5.943544   6.569825
    35  H    5.799517   4.690441   6.478451   6.917062   7.379982
    36  H    5.359743   4.895704   5.717028   5.951579   6.712728
    37  H    4.039519   3.209990   4.690207   5.161421   5.598585
    38  C    5.505215   6.809709   4.666753   4.131866   5.459768
    39  O    6.084241   7.475198   5.281899   4.530420   6.054219
    40  N    5.613554   6.540349   5.020712   4.705605   5.923303
    41  H    5.156638   6.621405   4.102372   3.667664   4.747900
    42  C    6.431651   7.085788   6.086843   5.718576   7.077023
    43  H    6.591029   7.363509   6.260183   5.718376   7.255387
    44  H    7.445671   8.055062   7.041900   6.704870   7.994664
    45  H    6.151454   6.498841   6.044905   5.803795   7.089533
    46  C    5.371832   6.083124   4.817204   4.827559   5.656127
    47  H    5.002198   5.940369   4.226138   4.321597   4.923860
    48  H    4.873515   5.266945   4.611424   4.752013   5.529461
    49  H    6.404274   6.982775   5.852259   5.903560   6.640480
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388704   0.000000
    23  H    3.825053   1.102378   0.000000
    24  H    3.608735   1.102645   1.790158   0.000000
    25  H    4.179334   1.098958   1.797321   1.794541   0.000000
    26  C    6.517029   6.417024   7.518994   6.135242   6.127403
    27  O    6.928075   7.310145   8.406353   6.975138   7.144303
    28  N    5.635010   5.533524   6.625062   5.456087   5.193216
    29  H    7.084141   6.477741   7.561180   6.115397   6.092647
    30  C    5.736038   4.839716   5.889900   4.894057   4.255083
    31  H    6.381291   5.482833   6.469359   5.703237   4.781068
    32  H    4.825553   3.791995   4.833029   3.955833   3.237815
    33  H    6.380371   5.047355   6.078552   4.939776   4.400544
    34  C    5.095023   5.773651   6.815039   5.850277   5.579634
    35  H    5.932810   6.615108   7.627470   6.794529   6.324497
    36  H    5.080219   6.229962   7.264280   6.181384   6.200662
    37  H    4.193962   4.956660   5.946796   5.173170   4.816270
    38  C    4.141191   6.226420   6.879928   5.673315   6.959269
    39  O    4.971190   6.554122   7.165061   5.825499   7.299483
    40  N    4.335121   6.456726   7.254344   6.003655   7.026854
    41  H    3.506046   6.008759   6.543727   5.588103   6.836290
    42  C    5.497830   7.109046   8.009569   6.559657   7.525239
    43  H    5.839353   7.062495   7.938367   6.367092   7.494060
    44  H    6.371446   8.183427   9.075279   7.653660   8.599752
    45  H    5.462691   6.829042   7.809334   6.360520   7.098963
    46  C    3.908380   6.470258   7.263283   6.259953   6.987772
    47  H    3.240088   6.198568   6.867230   6.079348   6.829052
    48  H    3.741952   5.974129   6.853161   5.848330   6.346910
    49  H    4.891116   7.540468   8.336784   7.352525   8.022580
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242664   0.000000
    28  N    1.360798   2.314421   0.000000
    29  H    1.107897   2.057597   2.057369   0.000000
    30  C    2.465644   3.634166   1.463214   2.562648   0.000000
    31  H    3.131145   4.220700   2.116933   3.255845   1.103042
    32  H    3.234805   4.327867   2.107746   3.397156   1.101627
    33  H    2.554659   3.797108   2.103401   2.164100   1.098576
    34  C    2.461561   2.848581   1.465421   3.413294   2.498379
    35  H    3.009897   3.296059   2.124644   3.933337   2.966646
    36  H    2.590464   2.511405   2.100235   3.661680   3.385672
    37  H    3.297711   3.816474   2.097553   4.119087   2.607323
    38  C    6.155064   5.922378   6.111227   6.736200   6.929554
    39  O    6.538832   6.317288   6.668488   6.954115   7.423729
    40  N    5.210002   4.833644   5.209264   5.933442   6.224099
    41  H    6.801272   6.660876   6.554154   7.426098   7.266122
    42  C    4.483250   3.883216   4.849664   5.151081   6.019521
    43  H    4.672457   4.177800   5.179327   5.125145   6.221801
    44  H    5.134754   4.315767   5.602318   5.847874   6.876194
    45  H    3.447328   2.831905   3.834469   4.205688   5.088013
    46  C    5.294576   4.952118   5.014160   6.187448   6.044135
    47  H    6.108511   5.905923   5.653215   6.967591   6.507101
    48  H    4.417281   4.197122   3.999723   5.356151   5.031710
    49  H    5.752911   5.207234   5.575862   6.716235   6.736423
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787561   0.000000
    33  H    1.798542   1.794054   0.000000
    34  C    2.816241   2.735606   3.421427   0.000000
    35  H    2.875437   3.367901   3.917054   1.103402   0.000000
    36  H    3.846916   3.589866   4.167022   1.097512   1.796089
    37  H    2.929736   2.391907   3.627098   1.099509   1.791986
    38  C    7.864283   6.524236   7.280830   5.799492   6.774215
    39  O    8.433604   7.052960   7.604127   6.594380   7.614285
    40  N    7.090233   5.971761   6.662418   4.772385   5.675935
    41  H    8.144261   6.725573   7.715260   6.087682   7.030680
    42  C    6.903250   6.014249   6.314724   4.661443   5.521038
    43  H    7.193553   6.211673   6.338164   5.270498   6.199260
    44  H    7.693578   6.953518   7.193559   5.306411   6.032212
    45  H    5.922625   5.201010   5.419800   3.680871   4.513060
    46  C    6.747090   5.754675   6.699072   4.191430   4.949947
    47  H    7.185073   6.047703   7.207409   4.771987   5.521904
    48  H    5.681388   4.786767   5.754380   3.099344   3.870992
    49  H    7.358060   6.562843   7.421314   4.637093   5.221377
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795732   0.000000
    38  C    5.077072   5.620412   0.000000
    39  O    5.903922   6.483503   1.242438   0.000000
    40  N    3.922513   4.756681   1.361326   2.317528   0.000000
    41  H    5.444400   5.725656   1.108907   2.057633   2.056038
    42  C    3.735520   4.963413   2.469910   2.868114   1.464681
    43  H    4.463226   5.561755   2.565363   2.463525   2.100820
    44  H    4.282575   5.706597   3.104100   3.467880   2.119733
    45  H    2.763581   4.125838   3.255988   3.752271   2.101410
    46  C    3.347746   4.058327   2.465601   3.635973   1.463041
    47  H    4.089340   4.396029   2.549097   3.790593   2.105167
    48  H    2.312987   2.977134   3.184976   4.268690   2.109133
    49  H    3.678694   4.657018   3.186373   4.291064   2.114243
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417228   0.000000
    43  H    3.647832   1.097148   0.000000
    44  H    4.000158   1.102997   1.798367   0.000000
    45  H    4.082128   1.101222   1.796717   1.789607   0.000000
    46  C    2.557263   2.490611   3.395037   2.906909   2.632904
    47  H    2.149836   3.418631   4.184477   3.865735   3.651135
    48  H    3.331984   2.742348   3.633498   3.314774   2.425681
    49  H    3.317011   2.788058   3.818788   2.778014   2.956769
                   46         47         48         49
    46  C    0.000000
    47  H    1.099041   0.000000
    48  H    1.102844   1.795117   0.000000
    49  H    1.102427   1.797677   1.789025   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2137706      0.1908314      0.1861175
 Leave Link  202 at Mon Nov 14 01:08:45 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1973789568 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1847118576 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.0126670992 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4052
 GePol: Average weight of points                     =       0.11
 GePol: Minimum weight of points                     =   0.44D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     228
 GePol: Fraction of low-weight points (<1% of avg)   =       5.63%
 GePol: Cavity surface area                          =    465.625 Ang**2
 GePol: Cavity volume                                =    458.043 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039685210 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.0086985782 Hartrees.
 Leave Link  301 at Mon Nov 14 01:08:45 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37530.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:08:46 2016, MaxMem=  2952790016 cpu:        15.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:08:46 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.002071    0.002023    0.001479
         Rot=    1.000000   -0.000025   -0.000048   -0.000061 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50890809734    
 Leave Link  401 at Mon Nov 14 01:08:53 2016, MaxMem=  2952790016 cpu:        81.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49256112.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.02D-14 for   3223.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.57D-15 for   2548   1453.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.02D-14 for   3223.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.84D-07 for   1537   1526.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.10D-15 for    482.
 Iteration    2 A*A^-1 deviation from orthogonality  is 9.39D-15 for   1943    854.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for    637.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.11D-15 for   2431    441.
 E= -1013.45092425837    
 DIIS: error= 3.63D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45092425837     IErMin= 1 ErrMin= 3.63D-04
 ErrMax= 3.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-04 BMatP= 1.26D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.63D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=6.30D-05 MaxDP=3.38D-03              OVMax= 4.04D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.30D-05    CP:  1.00D+00
 E= -1013.45114703340     Delta-E=       -0.000222775030 Rises=F Damp=F
 DIIS: error= 5.01D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45114703340     IErMin= 2 ErrMin= 5.01D-05
 ErrMax= 5.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-06 BMatP= 1.26D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.210D-01 0.979D+00
 Coeff:      0.210D-01 0.979D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=9.38D-04 DE=-2.23D-04 OVMax= 1.08D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  1.00D+00  9.34D-01
 E= -1013.45114162282     Delta-E=        0.000005410576 Rises=F Damp=F
 DIIS: error= 1.30D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45114703340     IErMin= 2 ErrMin= 5.01D-05
 ErrMax= 1.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.22D-06 BMatP= 2.57D-06
 IDIUse=3 WtCom= 4.67D-01 WtEn= 5.33D-01
 Coeff-Com:  0.298D-02 0.671D+00 0.326D+00
 Coeff-En:   0.000D+00 0.742D+00 0.258D+00
 Coeff:      0.139D-02 0.709D+00 0.289D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.36D-06 MaxDP=5.84D-04 DE= 5.41D-06 OVMax= 9.85D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.17D-06    CP:  1.00D+00  9.56D-01  4.47D-01
 E= -1013.45114911631     Delta-E=       -0.000007493484 Rises=F Damp=F
 DIIS: error= 2.43D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45114911631     IErMin= 4 ErrMin= 2.43D-05
 ErrMax= 2.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-07 BMatP= 2.57D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.939D-04 0.255D+00 0.171D+00 0.574D+00
 Coeff:     -0.939D-04 0.255D+00 0.171D+00 0.574D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.08D-06 MaxDP=9.61D-05 DE=-7.49D-06 OVMax= 1.99D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.64D-07    CP:  1.00D+00  9.63D-01  4.30D-01  5.73D-01
 E= -1013.45114939063     Delta-E=       -0.000000274325 Rises=F Damp=F
 DIIS: error= 1.06D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45114939063     IErMin= 5 ErrMin= 1.06D-05
 ErrMax= 1.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-08 BMatP= 3.52D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-04 0.150D+00 0.103D+00 0.380D+00 0.367D+00
 Coeff:     -0.109D-04 0.150D+00 0.103D+00 0.380D+00 0.367D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.88D-07 MaxDP=3.74D-05 DE=-2.74D-07 OVMax= 4.77D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.39D-07    CP:  1.00D+00  9.64D-01  4.25D-01  5.93D-01  6.51D-01
 E= -1013.45114942597     Delta-E=       -0.000000035341 Rises=F Damp=F
 DIIS: error= 7.24D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45114942597     IErMin= 6 ErrMin= 7.24D-07
 ErrMax= 7.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.47D-10 BMatP= 4.20D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-04 0.374D-01 0.256D-01 0.103D+00 0.142D+00 0.692D+00
 Coeff:     -0.120D-04 0.374D-01 0.256D-01 0.103D+00 0.142D+00 0.692D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.19D-08 MaxDP=3.49D-06 DE=-3.53D-08 OVMax= 5.25D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.66D-08    CP:  1.00D+00  9.63D-01  4.26D-01  5.98D-01  6.50D-01
                    CP:  8.75D-01
 E= -1013.45114942640     Delta-E=       -0.000000000422 Rises=F Damp=F
 DIIS: error= 1.54D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45114942640     IErMin= 7 ErrMin= 1.54D-07
 ErrMax= 1.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-11 BMatP= 4.47D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.824D-05 0.103D-01 0.707D-02 0.296D-01 0.463D-01 0.294D+00
 Coeff-Com:  0.613D+00
 Coeff:     -0.824D-05 0.103D-01 0.707D-02 0.296D-01 0.463D-01 0.294D+00
 Coeff:      0.613D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.14D-08 MaxDP=1.03D-06 DE=-4.22D-10 OVMax= 1.16D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.85D-08    CP:  1.00D+00  9.63D-01  4.26D-01  5.98D-01  6.52D-01
                    CP:  8.76D-01  8.44D-01
 E= -1013.45114942640     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 7.23D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45114942640     IErMin= 8 ErrMin= 7.23D-08
 ErrMax= 7.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.94D-12 BMatP= 2.78D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.318D-05 0.928D-03 0.664D-03 0.322D-02 0.740D-02 0.733D-01
 Coeff-Com:  0.344D+00 0.570D+00
 Coeff:     -0.318D-05 0.928D-03 0.664D-03 0.322D-02 0.740D-02 0.733D-01
 Coeff:      0.344D+00 0.570D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.36D-09 MaxDP=5.01D-07 DE=-4.09D-12 OVMax= 7.54D-07

 Error on total polarization charges =  0.04265
 SCF Done:  E(RB97D) =  -1013.45114943     A.U. after    8 cycles
            NFock=  8  Conv=0.94D-08     -V/T= 2.0213
 KE= 9.923539515042D+02 PE=-6.027399817075D+03 EE= 2.173586017566D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.49
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:10:36 2016, MaxMem=  2952790016 cpu:      1176.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37530.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     363
 Leave Link  701 at Mon Nov 14 01:10:45 2016, MaxMem=  2952790016 cpu:        97.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:10:45 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:11:21 2016, MaxMem=  2952790016 cpu:       440.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.44890413D+00-2.76910262D+00 3.39034334D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000245996   -0.000424347   -0.000063379
      2        6           0.000151501    0.000143963    0.000098015
      3        8           0.000007573   -0.000019209    0.000014796
      4        7          -0.000010547    0.000042954    0.000056814
      5        1           0.000035999    0.000030108   -0.000060189
      6        6          -0.000117524   -0.000036618   -0.000052250
      7        1           0.000073675    0.000074212   -0.000007213
      8        1           0.000035262    0.000022388   -0.000008073
      9        1           0.000107311   -0.000085234    0.000066323
     10        6           0.000017862    0.000065670    0.000043614
     11        1           0.000034600    0.000086291    0.000044955
     12        1           0.000027227    0.000022672    0.000002105
     13        1           0.000037125    0.000015605    0.000019861
     14        6          -0.000060025    0.000007783   -0.000022939
     15        8          -0.000023784   -0.000048213   -0.000022510
     16        7          -0.000056602   -0.000004203   -0.000074131
     17        1           0.000001189    0.000037819   -0.000033779
     18        6           0.000055820    0.000102409   -0.000060396
     19        1          -0.000039777    0.000068644    0.000021017
     20        1          -0.000017964    0.000007850   -0.000063844
     21        1          -0.000075733   -0.000041815    0.000004767
     22        6          -0.000010702   -0.000000506    0.000010638
     23        1           0.000001486    0.000021332   -0.000044296
     24        1          -0.000016690    0.000050468   -0.000048308
     25        1           0.000005412    0.000016549   -0.000030778
     26        6          -0.000035987   -0.000029697   -0.000009367
     27        8           0.000007785   -0.000039903    0.000027879
     28        7          -0.000016625    0.000007619   -0.000019856
     29        1           0.000030361   -0.000004421    0.000047309
     30        6           0.000005075    0.000001711    0.000020520
     31        1          -0.000004424   -0.000009534    0.000015787
     32        1           0.000048366    0.000042409    0.000013710
     33        1          -0.000020212   -0.000002332    0.000011268
     34        6          -0.000039445   -0.000017578   -0.000044666
     35        1          -0.000030533   -0.000042319    0.000012203
     36        1           0.000054178   -0.000025316    0.000090179
     37        1          -0.000061226    0.000018522   -0.000016089
     38        6           0.000002130   -0.000178866    0.000184483
     39        8           0.000015116    0.000088245   -0.000043483
     40        7          -0.000050401   -0.000067295   -0.000144406
     41        1          -0.000030709    0.000044440   -0.000013036
     42        6           0.000125827    0.000084788    0.000061404
     43        1          -0.000000558   -0.000016872   -0.000064326
     44        1          -0.000062061   -0.000111946    0.000067492
     45        1          -0.000094646    0.000170849   -0.000139061
     46        6          -0.000064192    0.000102426    0.000243660
     47        1           0.000002813   -0.000078087   -0.000128442
     48        1          -0.000134212   -0.000076793    0.000057479
     49        1          -0.000055111   -0.000016623   -0.000021461
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000424347 RMS     0.000075096
 Leave Link  716 at Mon Nov 14 01:11:22 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000093817 RMS     0.000018105
 Search for a local minimum.
 Step number  20 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .18105D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   16   17   18   19   20
 DE= -1.71D-05 DEPred=-1.09D-05 R= 1.57D+00
 TightC=F SS=  1.41D+00  RLast= 8.96D-02 DXNew= 2.2445D+00 2.6873D-01
 Trust test= 1.57D+00 RLast= 8.96D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00046   0.00122   0.00203   0.00351   0.00360
     Eigenvalues ---    0.00403   0.00433   0.00601   0.00697   0.00746
     Eigenvalues ---    0.00773   0.00866   0.00907   0.00916   0.00959
     Eigenvalues ---    0.01023   0.01052   0.01057   0.01195   0.01282
     Eigenvalues ---    0.01325   0.01362   0.01389   0.01502   0.01519
     Eigenvalues ---    0.01569   0.01614   0.01764   0.01774   0.01840
     Eigenvalues ---    0.01874   0.01931   0.01965   0.02064   0.02107
     Eigenvalues ---    0.02143   0.02243   0.02270   0.02500   0.02718
     Eigenvalues ---    0.02894   0.02994   0.03481   0.03633   0.04158
     Eigenvalues ---    0.04284   0.04466   0.04912   0.05225   0.05588
     Eigenvalues ---    0.05765   0.06030   0.06062   0.06195   0.06716
     Eigenvalues ---    0.06940   0.07253   0.07472   0.07715   0.07792
     Eigenvalues ---    0.08003   0.08152   0.08179   0.08255   0.08456
     Eigenvalues ---    0.08527   0.08647   0.08793   0.08823   0.08933
     Eigenvalues ---    0.09050   0.09135   0.09592   0.09851   0.09997
     Eigenvalues ---    0.10057   0.10061   0.10198   0.10387   0.10455
     Eigenvalues ---    0.10548   0.10586   0.10727   0.10797   0.11306
     Eigenvalues ---    0.11435   0.11572   0.11684   0.12458   0.13282
     Eigenvalues ---    0.13481   0.14490   0.14666   0.15144   0.15329
     Eigenvalues ---    0.15701   0.16446   0.22080   0.23295   0.23562
     Eigenvalues ---    0.24093   0.24409   0.25085   0.25777   0.26528
     Eigenvalues ---    0.27020   0.27860   0.28538   0.29299   0.29810
     Eigenvalues ---    0.29917   0.29998   0.32718   0.32732   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33424   0.33457   0.33505   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33833   0.33915   0.33931
     Eigenvalues ---    0.33979   0.34004   0.34146   0.37255   0.39342
     Eigenvalues ---    0.40603   0.41626   0.85939   0.85993   0.86112
     Eigenvalues ---    0.87408
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    20   19   18   17   16
 RFO step:  Lambda=-1.18886773D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  4.34D-05 SmlDif=  1.00D-05
 RMS Error=  0.1046215703D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.87966   -1.19574    0.16226    0.30178   -0.14797
 Iteration  1 RMS(Cart)=  0.00328660 RMS(Int)=  0.00002314
 Iteration  2 RMS(Cart)=  0.00000888 RMS(Int)=  0.00001576
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001576
 ITry= 1 IFail=0 DXMaxC= 2.75D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.62665   0.00003  -0.00189  -0.00111  -0.00300   6.62365
    R2        6.22707   0.00002   0.00307   0.00040   0.00346   6.23053
    R3        7.04215   0.00004   0.00804   0.00294   0.01096   7.05311
    R4        6.08736   0.00003   0.00779   0.00301   0.01081   6.09817
    R5        6.58472  -0.00005   0.00089  -0.00077   0.00012   6.58484
    R6        5.93691  -0.00002   0.00103  -0.00002   0.00102   5.93792
    R7        6.72726   0.00000  -0.00055  -0.00027  -0.00081   6.72645
    R8        6.23012  -0.00001   0.00014  -0.00013   0.00001   6.23014
    R9        6.63245   0.00000   0.00226   0.00013   0.00238   6.63483
   R10        6.07131   0.00000  -0.00268  -0.00129  -0.00397   6.06734
   R11        6.98327  -0.00003  -0.00286  -0.00064  -0.00349   6.97978
   R12        6.03819  -0.00001  -0.00382  -0.00059  -0.00442   6.03377
   R13        6.91164   0.00002  -0.00044  -0.00027  -0.00071   6.91093
   R14        6.19926   0.00000   0.00094   0.00005   0.00099   6.20025
   R15        6.87354  -0.00002   0.00136   0.00018   0.00152   6.87506
   R16        5.95458  -0.00001   0.00183   0.00039   0.00222   5.95680
   R17        6.67666   0.00001   0.00276   0.00071   0.00346   6.68013
   R18        6.66624   0.00002   0.00076   0.00205   0.00279   6.66903
   R19        6.21045   0.00001  -0.00574  -0.00056  -0.00634   6.20411
   R20        6.67136   0.00000  -0.00592  -0.00120  -0.00717   6.66419
   R21        6.00809   0.00004  -0.00056   0.00243   0.00197   6.01007
   R22        6.89279   0.00006  -0.00942   0.00198  -0.00746   6.88533
   R23        5.93143   0.00007  -0.00557   0.00033  -0.00525   5.92619
   R24        2.34833   0.00004   0.00003   0.00004   0.00007   2.34840
   R25        2.57351  -0.00007  -0.00015  -0.00008  -0.00022   2.57329
   R26        2.09493  -0.00001   0.00010  -0.00005   0.00004   2.09497
   R27        2.76611  -0.00008  -0.00024  -0.00015  -0.00037   2.76574
   R28        2.76777  -0.00002  -0.00021  -0.00005  -0.00026   2.76751
   R29        2.07631   0.00000   0.00004   0.00000   0.00004   2.07635
   R30        2.08264   0.00000  -0.00009   0.00004  -0.00005   2.08258
   R31        2.08284   0.00001   0.00001   0.00001   0.00001   2.08286
   R32        2.08103  -0.00002   0.00006  -0.00001   0.00005   2.08108
   R33        2.07454   0.00000   0.00001  -0.00003  -0.00001   2.07453
   R34        2.08349   0.00001   0.00000   0.00001   0.00000   2.08350
   R35        2.34880   0.00000  -0.00005   0.00000  -0.00005   2.34875
   R36        2.57109   0.00001   0.00002   0.00004   0.00006   2.57115
   R37        2.09369   0.00000   0.00001   0.00001   0.00003   2.09372
   R38        2.76896   0.00000  -0.00017   0.00004  -0.00013   2.76883
   R39        2.76484  -0.00002  -0.00007   0.00000  -0.00008   2.76476
   R40        2.08138   0.00000   0.00001  -0.00001   0.00000   2.08138
   R41        2.08391   0.00001   0.00003   0.00001   0.00004   2.08394
   R42        2.07472   0.00002   0.00001   0.00000   0.00001   2.07472
   R43        2.08319   0.00000  -0.00001   0.00001   0.00000   2.08319
   R44        2.08370   0.00002   0.00007   0.00001   0.00006   2.08376
   R45        2.07673   0.00000   0.00000  -0.00001   0.00000   2.07673
   R46        2.34830  -0.00002   0.00002  -0.00003   0.00000   2.34829
   R47        2.57154  -0.00003  -0.00004  -0.00002  -0.00005   2.57148
   R48        2.09362   0.00000  -0.00001   0.00000  -0.00001   2.09361
   R49        2.76507  -0.00002  -0.00013  -0.00005  -0.00017   2.76491
   R50        2.76924   0.00000  -0.00016   0.00001  -0.00014   2.76910
   R51        2.08445   0.00000   0.00002   0.00000   0.00002   2.08447
   R52        2.08177  -0.00003   0.00003  -0.00014  -0.00007   2.08170
   R53        2.07601   0.00000  -0.00001   0.00000  -0.00002   2.07599
   R54        2.08513   0.00000   0.00001   0.00000   0.00001   2.08514
   R55        2.07400  -0.00002   0.00000  -0.00015  -0.00015   2.07385
   R56        2.07777   0.00000   0.00004   0.00000   0.00004   2.07781
   R57        2.34787   0.00007  -0.00015   0.00010  -0.00006   2.34781
   R58        2.57253  -0.00006   0.00021   0.00001   0.00024   2.57277
   R59        2.09553  -0.00001   0.00005  -0.00007  -0.00002   2.09551
   R60        2.76785   0.00003   0.00032   0.00025   0.00059   2.76843
   R61        2.76475   0.00002   0.00042   0.00012   0.00054   2.76528
   R62        2.07331   0.00007   0.00019   0.00014   0.00033   2.07364
   R63        2.08436  -0.00004   0.00001  -0.00011  -0.00010   2.08426
   R64        2.08101  -0.00009   0.00011  -0.00039  -0.00021   2.08080
   R65        2.07689   0.00001   0.00000   0.00004   0.00004   2.07693
   R66        2.08407  -0.00001  -0.00013   0.00011  -0.00001   2.08407
   R67        2.08329  -0.00001  -0.00006   0.00005  -0.00001   2.08327
    A1        0.69328  -0.00002  -0.00051  -0.00014  -0.00066   0.69262
    A2        0.97690  -0.00002  -0.00088  -0.00026  -0.00114   0.97575
    A3        0.72205  -0.00001   0.00009   0.00011   0.00020   0.72225
    A4        1.01700  -0.00001  -0.00008   0.00009   0.00001   1.01701
    A5        2.31216   0.00001   0.00084   0.00017   0.00102   2.31317
    A6        1.99185   0.00001   0.00079   0.00018   0.00098   1.99283
    A7        1.94942   0.00002   0.00061   0.00017   0.00079   1.95020
    A8        1.65419   0.00002   0.00102   0.00028   0.00130   1.65549
    A9        1.62445   0.00001   0.00064   0.00014   0.00079   1.62524
   A10        1.34252   0.00001   0.00059   0.00012   0.00073   1.34324
   A11        1.74446  -0.00002  -0.00035  -0.00013  -0.00049   1.74398
   A12        2.04034  -0.00002  -0.00025  -0.00008  -0.00033   2.04001
   A13        1.93327  -0.00002  -0.00005  -0.00003  -0.00008   1.93319
   A14        2.01140  -0.00001   0.00041   0.00006   0.00046   2.01186
   A15        2.44075  -0.00003  -0.00040  -0.00013  -0.00053   2.44022
   A16        1.55444   0.00002   0.00163   0.00078   0.00241   1.55685
   A17        1.78535   0.00000   0.00072   0.00042   0.00114   1.78649
   A18        1.60190  -0.00001  -0.00078  -0.00021  -0.00098   1.60092
   A19        1.73867  -0.00004  -0.00048  -0.00034  -0.00084   1.73784
   A20        2.19717   0.00000   0.00147   0.00032   0.00179   2.19897
   A21        2.42845   0.00000   0.00104   0.00032   0.00135   2.42979
   A22        0.65881  -0.00001  -0.00062  -0.00017  -0.00079   0.65802
   A23        0.66420   0.00000  -0.00034  -0.00004  -0.00038   0.66382
   A24        2.37869   0.00001   0.00019   0.00000   0.00020   2.37888
   A25        2.19686   0.00001   0.00034   0.00010   0.00043   2.19730
   A26        2.29354   0.00001   0.00037   0.00016   0.00053   2.29406
   A27        2.02569   0.00001   0.00095   0.00031   0.00127   2.02696
   A28        1.79158   0.00001   0.00013   0.00005   0.00018   1.79176
   A29        1.54569   0.00000   0.00020   0.00007   0.00028   1.54597
   A30        1.34884  -0.00001  -0.00032  -0.00015  -0.00048   1.34837
   A31        1.64502  -0.00001  -0.00040  -0.00015  -0.00055   1.64447
   A32        1.59242  -0.00001  -0.00051  -0.00018  -0.00068   1.59173
   A33        1.74061  -0.00001  -0.00027  -0.00014  -0.00041   1.74020
   A34        2.04288  -0.00001  -0.00043  -0.00017  -0.00060   2.04228
   A35        1.77958   0.00002   0.00288   0.00114   0.00403   1.78361
   A36        1.87893   0.00000   0.00193   0.00080   0.00273   1.88166
   A37        1.55956   0.00000   0.00062   0.00027   0.00091   1.56047
   A38        1.58078  -0.00003   0.00063   0.00003   0.00066   1.58144
   A39        2.26059   0.00000   0.00213   0.00048   0.00260   2.26319
   A40        2.36741   0.00001   0.00071   0.00054   0.00124   2.36866
   A41        0.70275  -0.00002  -0.00072  -0.00025  -0.00097   0.70178
   A42        0.77177  -0.00002  -0.00092  -0.00037  -0.00129   0.77048
   A43        2.67034  -0.00001  -0.00072  -0.00034  -0.00105   2.66928
   A44        2.59452  -0.00001  -0.00036  -0.00018  -0.00054   2.59398
   A45        2.63915   0.00000   0.00026   0.00008   0.00033   2.63948
   A46        2.33062   0.00000   0.00070   0.00019   0.00090   2.33152
   A47        2.18845  -0.00001  -0.00056  -0.00022  -0.00078   2.18768
   A48        1.94755  -0.00001  -0.00040  -0.00018  -0.00057   1.94699
   A49        1.11618  -0.00001  -0.00056  -0.00022  -0.00078   1.11540
   A50        1.47651  -0.00001  -0.00067  -0.00025  -0.00092   1.47559
   A51        1.58347  -0.00002  -0.00111  -0.00040  -0.00151   1.58196
   A52        1.81890  -0.00002  -0.00106  -0.00043  -0.00148   1.81742
   A53        1.79671  -0.00001  -0.00032  -0.00015  -0.00047   1.79625
   A54        1.59711   0.00003   0.00405   0.00153   0.00558   1.60269
   A55        1.57208   0.00002   0.00298   0.00119   0.00417   1.57625
   A56        1.19826   0.00002   0.00174   0.00072   0.00248   1.20074
   A57        1.18244  -0.00001   0.00138   0.00034   0.00172   1.18416
   A58        1.90538   0.00002   0.00276   0.00074   0.00350   1.90888
   A59        1.97042   0.00003   0.00124   0.00080   0.00203   1.97245
   A60        0.84565  -0.00001  -0.00027   0.00003  -0.00024   0.84541
   A61        0.79288  -0.00002  -0.00028  -0.00003  -0.00031   0.79257
   A62        2.60225   0.00001   0.00005   0.00013   0.00018   2.60244
   A63        2.75785   0.00000  -0.00010   0.00011   0.00001   2.75786
   A64        2.60122  -0.00001   0.00009  -0.00008   0.00001   2.60124
   A65        2.38255   0.00000  -0.00035   0.00002  -0.00033   2.38221
   A66        2.18263  -0.00001  -0.00031  -0.00002  -0.00032   2.18231
   A67        0.86754   0.00000   0.00000   0.00006   0.00006   0.86760
   A68        1.24256  -0.00001  -0.00002   0.00007   0.00005   1.24261
   A69        1.42826  -0.00001  -0.00038   0.00001  -0.00038   1.42788
   A70        1.69943  -0.00001  -0.00037  -0.00001  -0.00038   1.69906
   A71        1.52545   0.00000   0.00027   0.00009   0.00036   1.52581
   A72        1.61592   0.00002   0.00342   0.00107   0.00451   1.62043
   A73        1.48274   0.00001   0.00257   0.00085   0.00343   1.48616
   A74        1.06718   0.00001   0.00179   0.00059   0.00240   1.06958
   A75        0.97400  -0.00001   0.00153   0.00029   0.00182   0.97582
   A76        1.74384   0.00002   0.00219   0.00041   0.00260   1.74644
   A77        1.74733   0.00002   0.00077   0.00061   0.00138   1.74871
   A78        1.98951   0.00001   0.00011  -0.00007   0.00005   1.98956
   A79        1.92508   0.00001   0.00011   0.00002   0.00014   1.92522
   A80        2.20008   0.00001  -0.00002   0.00008   0.00005   2.20014
   A81        2.05062   0.00002   0.00075   0.00032   0.00108   2.05169
   A82        1.53691   0.00001  -0.00009  -0.00001  -0.00009   1.53683
   A83        1.36173   0.00001   0.00003   0.00005   0.00009   1.36181
   A84        1.18686  -0.00002   0.00023  -0.00004   0.00018   1.18704
   A85        1.37397  -0.00001   0.00005  -0.00008  -0.00003   1.37394
   A86        1.21123  -0.00001  -0.00014  -0.00014  -0.00029   1.21094
   A87        1.31935  -0.00001  -0.00001  -0.00014  -0.00015   1.31920
   A88        1.80114  -0.00001  -0.00014  -0.00012  -0.00026   1.80088
   A89        2.21148   0.00002   0.00274   0.00117   0.00390   2.21538
   A90        2.27281   0.00000   0.00219   0.00092   0.00310   2.27591
   A91        1.89454   0.00000   0.00127   0.00055   0.00183   1.89637
   A92        1.81499  -0.00003   0.00136   0.00036   0.00171   1.81669
   A93        2.58934   0.00000   0.00195   0.00045   0.00239   2.59173
   A94        2.54012   0.00001  -0.00022   0.00047   0.00024   2.54036
   A95        1.89997   0.00002   0.00019   0.00004   0.00023   1.90019
   A96        1.96762   0.00002   0.00020   0.00016   0.00037   1.96799
   A97        2.34050   0.00002   0.00003   0.00021   0.00024   2.34074
   A98        2.28633   0.00003   0.00081   0.00048   0.00130   2.28762
   A99        1.63606   0.00002   0.00000   0.00017   0.00017   1.63624
   A100       1.53243   0.00002   0.00015   0.00024   0.00039   1.53282
   A101       0.88597  -0.00002   0.00027  -0.00013   0.00014   0.88611
   A102       1.05672  -0.00001   0.00008  -0.00013  -0.00005   1.05667
   A103       0.92925  -0.00001  -0.00014  -0.00014  -0.00028   0.92896
   A104       1.09046   0.00000  -0.00005  -0.00011  -0.00015   1.09031
   A105       1.48373  -0.00001  -0.00010  -0.00017  -0.00027   1.48346
   A106       2.36888   0.00001   0.00313   0.00116   0.00429   2.37317
   A107       2.27137  -0.00001   0.00229   0.00079   0.00308   2.27445
   A108       1.84707  -0.00001   0.00168   0.00059   0.00229   1.84936
   A109       1.67851  -0.00002   0.00156   0.00037   0.00192   1.68044
   A110       2.43832   0.00000   0.00119   0.00010   0.00128   2.43960
   A111       2.28469   0.00001  -0.00076   0.00022  -0.00054   2.28414
   A112       0.71292   0.00000  -0.00008   0.00003  -0.00005   0.71287
   A113       1.00404   0.00000   0.00002   0.00008   0.00010   1.00414
   A114       0.69287   0.00000   0.00019   0.00004   0.00023   0.69309
   A115       0.97918   0.00000   0.00026   0.00007   0.00032   0.97950
   A116       1.78984   0.00001   0.00025   0.00010   0.00036   1.79020
   A117       1.41162   0.00001   0.00019   0.00008   0.00028   1.41190
   A118       1.17582   0.00001   0.00046   0.00013   0.00059   1.17641
   A119       0.90311   0.00002   0.00041   0.00014   0.00054   0.90366
   A120       1.24252   0.00001  -0.00020   0.00004  -0.00016   1.24235
   A121       2.01362  -0.00002  -0.00335  -0.00119  -0.00455   2.00907
   A122       2.01764  -0.00001  -0.00221  -0.00083  -0.00304   2.01460
   A123       2.33541   0.00000  -0.00059  -0.00018  -0.00079   2.33462
   A124       2.23201   0.00003  -0.00031   0.00019  -0.00012   2.23189
   A125       1.64362  -0.00001  -0.00233  -0.00049  -0.00282   1.64080
   A126       1.49874  -0.00001  -0.00145  -0.00055  -0.00200   1.49674
   A127       0.65566   0.00000   0.00016   0.00010   0.00026   0.65592
   A128       0.66077   0.00000   0.00019   0.00005   0.00024   0.66101
   A129       2.14485   0.00001   0.00035   0.00016   0.00052   2.14536
   A130       1.77692   0.00001   0.00025   0.00013   0.00038   1.77730
   A131       1.47805   0.00001   0.00051   0.00020   0.00070   1.47875
   A132       1.18621   0.00002   0.00053   0.00022   0.00073   1.18694
   A133       1.63451   0.00001  -0.00016   0.00006  -0.00010   1.63441
   A134       1.87622  -0.00002  -0.00333  -0.00118  -0.00453   1.87169
   A135       2.04226  -0.00001  -0.00248  -0.00096  -0.00345   2.03881
   A136       2.45706  -0.00001  -0.00162  -0.00066  -0.00230   2.45476
   A137       2.50545   0.00003  -0.00099  -0.00014  -0.00113   2.50432
   A138       1.76677  -0.00001  -0.00214  -0.00049  -0.00264   1.76413
   A139       1.71773  -0.00002  -0.00094  -0.00063  -0.00157   1.71616
   A140       0.70460   0.00000   0.00002   0.00004   0.00006   0.70466
   A141       0.83871   0.00001  -0.00006   0.00002  -0.00005   0.83867
   A142       2.48873   0.00001   0.00014   0.00010   0.00024   2.48897
   A143       2.10989   0.00001   0.00012   0.00009   0.00021   2.11010
   A144       1.88089   0.00002   0.00037   0.00018   0.00055   1.88144
   A145       1.59565   0.00002   0.00036   0.00020   0.00055   1.59620
   A146       1.84035   0.00001  -0.00010   0.00003  -0.00007   1.84028
   A147       1.45000  -0.00002  -0.00313  -0.00116  -0.00430   1.44570
   A148       1.66146  -0.00002  -0.00229  -0.00095  -0.00325   1.65821
   A149       2.08870  -0.00001  -0.00184  -0.00084  -0.00269   2.08602
   A150       2.25549   0.00001  -0.00148  -0.00052  -0.00201   2.25349
   A151       1.47625  -0.00002  -0.00161  -0.00043  -0.00204   1.47421
   A152       1.52971  -0.00002  -0.00012  -0.00062  -0.00074   1.52897
   A153       0.76220   0.00001   0.00063   0.00023   0.00085   0.76305
   A154       0.77057   0.00001   0.00061   0.00022   0.00083   0.77140
   A155       2.79384   0.00001   0.00029   0.00019   0.00048   2.79432
   A156       2.41514   0.00002   0.00018   0.00015   0.00032   2.41546
   A157       2.13073   0.00002   0.00074   0.00033   0.00106   2.13179
   A158       1.83776   0.00002   0.00077   0.00035   0.00111   1.83887
   A159       2.15496   0.00001  -0.00039  -0.00004  -0.00043   2.15453
   A160       1.31688  -0.00002  -0.00338  -0.00119  -0.00458   1.31230
   A161       1.61912  -0.00003  -0.00280  -0.00108  -0.00388   1.61524
   A162       2.02324  -0.00002  -0.00275  -0.00116  -0.00392   2.01932
   A163       2.27675  -0.00002  -0.00245  -0.00095  -0.00342   2.27334
   A164       1.55710  -0.00003  -0.00188  -0.00056  -0.00245   1.55465
   A165       1.69046  -0.00003  -0.00038  -0.00077  -0.00115   1.68930
   A166       2.12149   0.00000   0.00041   0.00019   0.00060   2.12209
   A167       1.82948   0.00001   0.00027   0.00017   0.00044   1.82993
   A168       1.44161   0.00001   0.00044   0.00021   0.00064   1.44225
   A169       1.16442   0.00001   0.00054   0.00024   0.00076   1.16518
   A170       1.84999   0.00000  -0.00015   0.00010  -0.00006   1.84993
   A171       2.07819  -0.00001  -0.00270  -0.00094  -0.00366   2.07452
   A172       2.35956  -0.00001  -0.00223  -0.00089  -0.00313   2.35643
   A173       2.78161  -0.00001  -0.00202  -0.00089  -0.00292   2.77868
   A174       2.15659  -0.00001  -0.00181  -0.00043  -0.00225   2.15435
   A175       2.12369  -0.00002  -0.00076  -0.00058  -0.00135   2.12234
   A176       2.21592   0.00000   0.00063   0.00025   0.00087   2.21679
   A177       2.00384   0.00001   0.00049   0.00024   0.00072   2.00456
   A178       1.59282   0.00001   0.00062   0.00027   0.00087   1.59370
   A179       1.34592   0.00001   0.00075   0.00029   0.00103   1.34696
   A180       2.10690   0.00001   0.00000   0.00015   0.00015   2.10704
   A181       2.00739  -0.00001  -0.00223  -0.00073  -0.00298   2.00441
   A182       2.36858  -0.00001  -0.00202  -0.00078  -0.00283   2.36575
   A183       2.69583  -0.00001  -0.00216  -0.00094  -0.00312   2.69270
   A184       2.30822  -0.00001  -0.00153  -0.00039  -0.00193   2.30629
   A185       2.35322  -0.00002  -0.00045  -0.00060  -0.00105   2.35217
   A186       0.68956  -0.00001  -0.00006  -0.00002  -0.00008   0.68948
   A187       0.97984  -0.00001  -0.00013  -0.00005  -0.00017   0.97968
   A188       0.69797   0.00000  -0.00004   0.00000  -0.00004   0.69793
   A189       2.05725   0.00001   0.00180   0.00055   0.00234   2.05960
   A190       1.69450   0.00002   0.00128   0.00049   0.00176   1.69627
   A191       1.34662   0.00001   0.00170   0.00075   0.00246   1.34908
   A192       1.04854   0.00002   0.00127   0.00060   0.00189   1.05043
   A193       1.62145   0.00002   0.00004   0.00001   0.00005   1.62150
   A194       1.40820   0.00003  -0.00130   0.00027  -0.00102   1.40719
   A195       0.66661  -0.00001  -0.00027  -0.00006  -0.00032   0.66629
   A196       2.22811   0.00000   0.00086   0.00013   0.00098   2.22908
   A197       1.83228   0.00001   0.00079   0.00023   0.00101   1.83329
   A198       1.58350   0.00001   0.00170   0.00070   0.00241   1.58591
   A199       1.27068   0.00002   0.00121   0.00061   0.00184   1.27252
   A200       1.61576   0.00001  -0.00060  -0.00016  -0.00076   1.61500
   A201       1.34473   0.00002  -0.00166   0.00007  -0.00158   1.34315
   A202       0.71122   0.00000  -0.00037  -0.00005  -0.00042   0.71079
   A203       2.62745  -0.00001   0.00032  -0.00006   0.00021   2.62766
   A204       2.23348   0.00001   0.00050   0.00013   0.00062   2.23410
   A205       1.99375   0.00001   0.00161   0.00069   0.00231   1.99606
   A206       1.68125   0.00002   0.00113   0.00059   0.00174   1.68299
   A207       1.95710   0.00001  -0.00106  -0.00025  -0.00131   1.95579
   A208       1.66888   0.00002  -0.00185  -0.00007  -0.00191   1.66697
   A209       0.83597  -0.00001  -0.00069  -0.00010  -0.00078   0.83518
   A210       2.70998  -0.00001  -0.00167  -0.00072  -0.00242   2.70756
   A211       2.37601   0.00000  -0.00041  -0.00018  -0.00060   2.37541
   A212       2.23868   0.00000   0.00131   0.00060   0.00192   2.24060
   A213       1.92840   0.00002   0.00084   0.00053   0.00140   1.92979
   A214       2.01522   0.00000  -0.00178  -0.00039  -0.00216   2.01307
   A215       1.72981   0.00001  -0.00216  -0.00026  -0.00241   1.72741
   A216       1.92761   0.00000   0.00018  -0.00020  -0.00002   1.92759
   A217       1.54892   0.00001   0.00053   0.00003   0.00055   1.54947
   A218       1.44147   0.00001   0.00169   0.00058   0.00227   1.44374
   A219       1.15656   0.00003   0.00114   0.00055   0.00171   1.15827
   A220       1.24623   0.00001  -0.00066  -0.00019  -0.00085   1.24538
   A221       0.95952   0.00002  -0.00148   0.00001  -0.00146   0.95806
   A222       0.71503   0.00000   0.00035  -0.00010   0.00026   0.71529
   A223       1.00891  -0.00001   0.00048  -0.00008   0.00039   1.00930
   A224       0.70080  -0.00002   0.00048  -0.00018   0.00030   0.70110
   A225       0.98993  -0.00002   0.00107  -0.00030   0.00077   0.99070
   A226       0.66124   0.00000   0.00025   0.00005   0.00029   0.66152
   A227       0.66740   0.00000   0.00107  -0.00005   0.00103   0.66843
   A228       0.70799   0.00001   0.00115   0.00008   0.00123   0.70922
   A229       0.83985   0.00001   0.00118   0.00045   0.00164   0.84149
   A230       0.78050   0.00003   0.00026  -0.00003   0.00024   0.78074
   A231       0.78799   0.00004  -0.00015   0.00046   0.00033   0.78832
   A232       1.65604  -0.00004  -0.00242  -0.00130  -0.00371   1.65233
   A233       1.81120   0.00006   0.00074   0.00069   0.00144   1.81264
   A234       2.19217  -0.00002   0.00009  -0.00006   0.00004   2.19222
   A235       2.12933   0.00000  -0.00008  -0.00003  -0.00011   2.12921
   A236       1.96132   0.00002  -0.00001   0.00008   0.00006   1.96138
   A237       2.12094   0.00002  -0.00008   0.00016   0.00009   2.12103
   A238       2.12491   0.00001   0.00039   0.00010   0.00049   2.12540
   A239       2.03612  -0.00003  -0.00034  -0.00026  -0.00061   2.03551
   A240       1.76815   0.00008   0.00306   0.00179   0.00486   1.77301
   A241       2.60060  -0.00009  -0.00261  -0.00178  -0.00440   2.59620
   A242       1.91104   0.00002   0.00011   0.00017   0.00030   1.91133
   A243       1.91584   0.00001   0.00001   0.00010   0.00011   1.91594
   A244       1.92242  -0.00002   0.00013  -0.00029  -0.00018   1.92224
   A245       1.90827   0.00001   0.00011   0.00006   0.00016   1.90843
   A246       1.90876   0.00001  -0.00032   0.00009  -0.00023   1.90853
   A247       1.89739  -0.00004  -0.00005  -0.00013  -0.00016   1.89723
   A248       1.36571  -0.00001  -0.00096  -0.00057  -0.00153   1.36418
   A249       1.90804   0.00001  -0.00025   0.00000  -0.00026   1.90778
   A250       1.90789   0.00000   0.00014   0.00010   0.00024   1.90813
   A251       1.92773  -0.00001  -0.00005  -0.00011  -0.00016   1.92758
   A252       1.91019   0.00002   0.00018   0.00014   0.00032   1.91051
   A253       1.89546  -0.00001  -0.00002  -0.00008  -0.00010   1.89536
   A254       1.91440   0.00000   0.00001  -0.00005  -0.00004   1.91436
   A255       1.71565   0.00003   0.00082   0.00037   0.00119   1.71684
   A256       1.78376  -0.00003  -0.00121  -0.00051  -0.00172   1.78203
   A257       2.18993   0.00001   0.00016   0.00002   0.00018   2.19011
   A258       2.13021   0.00000  -0.00005  -0.00002  -0.00008   2.13013
   A259       1.96286  -0.00001  -0.00011   0.00000  -0.00011   1.96275
   A260       2.12261   0.00000   0.00013   0.00007   0.00020   2.12281
   A261       2.12444  -0.00001  -0.00001  -0.00007  -0.00008   2.12435
   A262       2.03608   0.00001  -0.00013   0.00000  -0.00013   2.03595
   A263       1.32791   0.00005   0.00374   0.00102   0.00476   1.33268
   A264       1.89872   0.00001   0.00025   0.00011   0.00036   1.89907
   A265       1.93235  -0.00001  -0.00014  -0.00007  -0.00021   1.93215
   A266       1.90965   0.00003  -0.00006   0.00021   0.00015   1.90980
   A267       1.89900  -0.00001  -0.00018  -0.00011  -0.00029   1.89871
   A268       1.91245   0.00000   0.00033  -0.00012   0.00021   1.91267
   A269       1.91152  -0.00003  -0.00019  -0.00002  -0.00022   1.91130
   A270       2.64053   0.00000   0.00039   0.00012   0.00052   2.64104
   A271       1.72380   0.00000  -0.00063  -0.00013  -0.00076   1.72304
   A272       1.92380  -0.00001   0.00004  -0.00002   0.00001   1.92382
   A273       1.91488   0.00001   0.00006   0.00006   0.00011   1.91499
   A274       1.91395   0.00001   0.00000   0.00007   0.00007   1.91402
   A275       1.89464  -0.00001  -0.00019  -0.00006  -0.00025   1.89439
   A276       1.91053   0.00000   0.00006  -0.00002   0.00004   1.91057
   A277       1.90582   0.00000   0.00004  -0.00003   0.00002   1.90584
   A278       1.81343   0.00001  -0.00079  -0.00007  -0.00085   1.81257
   A279       1.75416   0.00002   0.00056   0.00014   0.00070   1.75487
   A280       2.18916  -0.00001   0.00009   0.00001   0.00010   2.18926
   A281       2.13056  -0.00001  -0.00009   0.00000  -0.00009   2.13047
   A282       1.96338   0.00002   0.00000   0.00000  -0.00001   1.96337
   A283       2.12231  -0.00002   0.00003  -0.00008  -0.00004   2.12227
   A284       2.11359   0.00002   0.00045   0.00007   0.00052   2.11410
   A285       2.04374   0.00000  -0.00051  -0.00001  -0.00053   2.04322
   A286       2.69264   0.00001   0.00059   0.00018   0.00077   2.69341
   A287       1.66683  -0.00001  -0.00075  -0.00018  -0.00094   1.66589
   A288       1.92636   0.00000   0.00011  -0.00004   0.00007   1.92642
   A289       1.91505   0.00000  -0.00044  -0.00006  -0.00049   1.91456
   A290       1.91222  -0.00001   0.00014   0.00005   0.00019   1.91240
   A291       1.89106   0.00000  -0.00009   0.00008  -0.00002   1.89103
   A292       1.91209   0.00001   0.00016   0.00003   0.00019   1.91228
   A293       1.90685   0.00000   0.00013  -0.00006   0.00007   1.90692
   A294       1.32953   0.00007   0.00372   0.00141   0.00514   1.33467
   A295       1.16638  -0.00004  -0.00281  -0.00080  -0.00361   1.16277
   A296       1.93408   0.00000  -0.00021  -0.00012  -0.00032   1.93377
   A297       1.90628   0.00003  -0.00005   0.00010   0.00005   1.90633
   A298       1.90051  -0.00002   0.00014   0.00015   0.00028   1.90079
   A299       1.90913  -0.00004   0.00026  -0.00006   0.00020   1.90933
   A300       1.90016   0.00002  -0.00018  -0.00015  -0.00033   1.89984
   A301       1.91359   0.00002   0.00003   0.00008   0.00012   1.91371
   A302       1.72663   0.00000   0.00614  -0.00009   0.00605   1.73268
   A303       1.75443   0.00004  -0.00426   0.00063  -0.00363   1.75080
   A304       2.19392  -0.00002  -0.00040   0.00016  -0.00025   2.19368
   A305       2.12945  -0.00001   0.00068  -0.00037   0.00030   2.12975
   A306       1.95956   0.00003  -0.00026   0.00020  -0.00006   1.95950
   A307       2.12597   0.00002  -0.00011  -0.00041  -0.00049   2.12548
   A308       2.12181  -0.00003  -0.00069   0.00010  -0.00061   2.12120
   A309       2.03463   0.00002   0.00083   0.00039   0.00120   2.03583
   A310       1.40944  -0.00001  -0.00416  -0.00197  -0.00611   1.40334
   A311       2.94554  -0.00003   0.00441   0.00193   0.00630   2.95183
   A312       1.90836   0.00000  -0.00031  -0.00004  -0.00038   1.90798
   A313       1.92853  -0.00001   0.00066   0.00001   0.00044   1.92897
   A314       1.90493   0.00006  -0.00088   0.00059  -0.00035   1.90459
   A315       1.91371   0.00003  -0.00002   0.00015   0.00023   1.91394
   A316       1.91340  -0.00007   0.00000  -0.00049  -0.00044   1.91296
   A317       1.89480  -0.00002   0.00054  -0.00022   0.00049   1.89529
   A318       1.70570  -0.00005  -0.00245   0.00110  -0.00133   1.70436
   A319       1.91439  -0.00002  -0.00036  -0.00020  -0.00057   1.91382
   A320       1.91590   0.00000   0.00159  -0.00045   0.00115   1.91705
   A321       1.92346   0.00000  -0.00054   0.00063   0.00009   1.92355
   A322       1.90637  -0.00005  -0.00057  -0.00046  -0.00102   1.90535
   A323       1.91092   0.00004  -0.00022   0.00029   0.00007   1.91099
   A324       1.89257   0.00002   0.00010   0.00019   0.00028   1.89285
   A325       2.92631  -0.00001  -0.00027  -0.00008  -0.00035   2.92596
   A326       3.36312  -0.00003   0.00017  -0.00021  -0.00005   3.36307
   A327       3.08119  -0.00004   0.00012  -0.00023  -0.00011   3.08108
   A328       3.28011  -0.00001  -0.00096  -0.00061  -0.00157   3.27854
   A329       3.23943   0.00002   0.00355   0.00100   0.00455   3.24398
   A330       3.23866   0.00003   0.00398   0.00135   0.00533   3.24400
   A331       3.61662  -0.00001  -0.00266   0.00139  -0.00126   3.61536
   A332       3.21270   0.00001  -0.00032   0.00017  -0.00015   3.21254
   A333       3.07458  -0.00001  -0.00173  -0.00077  -0.00252   3.07206
   A334       3.02066  -0.00002  -0.00194  -0.00084  -0.00280   3.01786
   A335       3.23522   0.00001   0.00044   0.00003   0.00047   3.23569
   A336       3.07980   0.00000  -0.00089  -0.00037  -0.00126   3.07854
   A337       3.10868  -0.00001  -0.00126  -0.00035  -0.00160   3.10708
   A338       3.03076   0.00001   0.00072  -0.00029   0.00044   3.03120
    D1        2.75271  -0.00002   0.00034   0.00007   0.00041   2.75311
    D2       -1.35492  -0.00002  -0.00041  -0.00024  -0.00065  -1.35557
    D3        2.74808   0.00000   0.00168   0.00075   0.00243   2.75051
    D4       -1.35954   0.00000   0.00093   0.00045   0.00137  -1.35817
    D5        1.63753   0.00000   0.00128   0.00049   0.00177   1.63930
    D6       -2.47009  -0.00001   0.00053   0.00018   0.00071  -2.46938
    D7        1.79368   0.00001   0.00174   0.00075   0.00249   1.79617
    D8       -2.31395   0.00001   0.00099   0.00044   0.00144  -2.31251
    D9        0.27374   0.00000   0.00210   0.00072   0.00282   0.27656
   D10        2.44930   0.00000   0.00135   0.00042   0.00177   2.45107
   D11        0.00006   0.00000   0.00195   0.00062   0.00257   0.00263
   D12        2.17562   0.00000   0.00120   0.00031   0.00151   2.17713
   D13       -0.46461  -0.00001   0.00200   0.00059   0.00258  -0.46203
   D14        1.71095  -0.00001   0.00125   0.00028   0.00153   1.71247
   D15       -0.58425  -0.00002   0.00148   0.00040   0.00188  -0.58237
   D16        1.59131  -0.00002   0.00073   0.00010   0.00082   1.59213
   D17        0.17928   0.00000   0.00214   0.00064   0.00277   0.18205
   D18        2.35484  -0.00001   0.00139   0.00033   0.00172   2.35656
   D19        0.12537  -0.00001   0.00192   0.00057   0.00249   0.12785
   D20        2.30093  -0.00001   0.00117   0.00026   0.00143   2.30236
   D21        2.32225  -0.00001   0.00265   0.00084   0.00350   2.32574
   D22       -1.78538  -0.00001   0.00190   0.00054   0.00244  -1.78294
   D23        2.07003   0.00001   0.00275   0.00089   0.00364   2.07367
   D24       -2.03760   0.00000   0.00200   0.00059   0.00259  -2.03501
   D25        1.63220   0.00001   0.00285   0.00091   0.00375   1.63595
   D26       -2.47543   0.00001   0.00210   0.00061   0.00270  -2.47273
   D27        1.32506   0.00002   0.00299   0.00096   0.00394   1.32901
   D28       -2.78256   0.00002   0.00224   0.00065   0.00289  -2.77967
   D29        2.26402   0.00000   0.00248   0.00090   0.00338   2.26740
   D30       -1.84361   0.00000   0.00173   0.00059   0.00233  -1.84128
   D31       -1.89878   0.00001   0.00476   0.00154   0.00630  -1.89247
   D32        0.27678   0.00001   0.00401   0.00123   0.00525   0.28203
   D33       -2.22292   0.00001   0.00405   0.00141   0.00547  -2.21746
   D34       -0.04736   0.00000   0.00330   0.00110   0.00441  -0.04295
   D35       -2.61232   0.00001   0.00425   0.00157   0.00583  -2.60648
   D36       -0.43675   0.00001   0.00350   0.00127   0.00478  -0.43198
   D37       -2.89530   0.00001   0.00387   0.00141   0.00529  -2.89001
   D38       -0.71974   0.00001   0.00312   0.00110   0.00423  -0.71550
   D39       -2.19857   0.00000   0.00290   0.00086   0.00376  -2.19482
   D40       -0.02301   0.00000   0.00215   0.00055   0.00270  -0.02031
   D41       -2.43857   0.00001   0.00039   0.00115   0.00154  -2.43703
   D42       -0.26301   0.00001  -0.00036   0.00085   0.00048  -0.26252
   D43        1.30885  -0.00001  -0.00203  -0.00088  -0.00291   1.30594
   D44       -1.97842  -0.00001  -0.00005   0.00057   0.00052  -1.97789
   D45        2.47256   0.00001  -0.00090  -0.00037  -0.00127   2.47129
   D46       -0.81470   0.00001   0.00108   0.00108   0.00216  -0.81254
   D47        2.93648   0.00002  -0.00046  -0.00009  -0.00054   2.93594
   D48       -0.35078   0.00002   0.00152   0.00137   0.00289  -0.34789
   D49        2.84508  -0.00001   0.00001  -0.00031  -0.00030   2.84478
   D50       -0.44219  -0.00001   0.00199   0.00115   0.00313  -0.43906
   D51        2.03677   0.00000   0.00062  -0.00002   0.00060   2.03737
   D52       -1.25050   0.00000   0.00260   0.00143   0.00404  -1.24646
   D53        1.16235   0.00001   0.00116   0.00011   0.00128   1.16362
   D54       -2.12492   0.00001   0.00314   0.00156   0.00471  -2.12021
   D55        1.03873  -0.00001  -0.00060  -0.00046  -0.00106   1.03768
   D56       -2.24853  -0.00001   0.00138   0.00099   0.00238  -2.24615
   D57        2.02845   0.00000   0.00006  -0.00025  -0.00018   2.02827
   D58       -1.25881   0.00000   0.00204   0.00121   0.00325  -1.25556
   D59        1.85016   0.00000  -0.00036  -0.00038  -0.00073   1.84943
   D60       -1.43711   0.00000   0.00162   0.00107   0.00270  -1.43440
   D61       -2.30790   0.00000   0.00040  -0.00008   0.00031  -2.30759
   D62        0.68802   0.00000   0.00238   0.00137   0.00375   0.69177
   D63       -2.43331   0.00000  -0.00012  -0.00023  -0.00036  -2.43367
   D64        0.56261   0.00000   0.00186   0.00122   0.00308   0.56569
   D65       -2.83352   0.00000  -0.00014  -0.00026  -0.00040  -2.83392
   D66        0.16240   0.00000   0.00184   0.00120   0.00303   0.16543
   D67       -3.00991   0.00000   0.00001  -0.00025  -0.00025  -3.01016
   D68       -0.01399   0.00000   0.00199   0.00121   0.00318  -0.01081
   D69       -2.14861  -0.00001  -0.00084  -0.00041  -0.00125  -2.14985
   D70        0.84731  -0.00001   0.00114   0.00104   0.00219   0.84950
   D71       -0.20463   0.00000   0.00035  -0.00024   0.00011  -0.20452
   D72        2.79129  -0.00001   0.00233   0.00121   0.00355   2.79483
   D73       -0.59996   0.00001   0.00039  -0.00011   0.00028  -0.59969
   D74        2.39596   0.00001   0.00237   0.00134   0.00371   2.39967
   D75       -0.81183   0.00001   0.00179   0.00054   0.00232  -0.80951
   D76        2.18409   0.00001   0.00377   0.00200   0.00576   2.18984
   D77       -1.14855   0.00003   0.00150   0.00053   0.00203  -1.14652
   D78        1.84737   0.00003   0.00348   0.00199   0.00547   1.85283
   D79       -0.84758   0.00001  -0.00124  -0.00056  -0.00180  -0.84939
   D80        2.14834   0.00001   0.00074   0.00090   0.00163   2.14997
   D81       -1.15083   0.00001  -0.00255  -0.00045  -0.00300  -1.15383
   D82        1.84509   0.00001  -0.00057   0.00100   0.00043   1.84553
   D83       -1.49873  -0.00001  -0.00055  -0.00033  -0.00088  -1.49960
   D84       -2.59149   0.00000  -0.00009  -0.00017  -0.00026  -2.59175
   D85       -2.94413   0.00001   0.00074   0.00022   0.00095  -2.94317
   D86        0.73196   0.00000   0.00061  -0.00002   0.00058   0.73255
   D87        0.31378  -0.00001   0.00054  -0.00006   0.00049   0.31426
   D88       -0.06319  -0.00001   0.00064  -0.00002   0.00062  -0.06258
   D89       -0.39335  -0.00002   0.00035  -0.00017   0.00019  -0.39317
   D90        0.19203   0.00000   0.00052  -0.00013   0.00039   0.19242
   D91       -0.03726  -0.00001   0.00032  -0.00021   0.00011  -0.03715
   D92        2.37957  -0.00001   0.00095   0.00010   0.00105   2.38062
   D93        2.03389   0.00000   0.00081   0.00006   0.00087   2.03475
   D94        1.63753   0.00000   0.00102   0.00009   0.00111   1.63864
   D95        1.35169   0.00001   0.00110   0.00011   0.00119   1.35289
   D96        2.04169   0.00000   0.00034  -0.00003   0.00030   2.04200
   D97       -1.99894  -0.00001   0.00286   0.00057   0.00347  -1.99546
   D98       -2.50098   0.00000   0.00176   0.00025   0.00202  -2.49897
   D99       -2.73177   0.00001   0.00238   0.00067   0.00305  -2.72872
   D100      -3.04715   0.00003   0.00172   0.00058   0.00231  -3.04484
   D101      -2.91699   0.00000  -0.00144  -0.00067  -0.00215  -2.91914
   D102       2.83701   0.00000  -0.00273  -0.00074  -0.00348   2.83353
   D103      -2.88357  -0.00001   0.00010  -0.00007   0.00003  -2.88354
   D104       1.20979  -0.00001   0.00026  -0.00001   0.00025   1.21004
   D105       2.84610   0.00000  -0.00042  -0.00022  -0.00064   2.84545
   D106       0.65627   0.00000  -0.00026  -0.00016  -0.00042   0.65585
   D107       2.35258   0.00001  -0.00029  -0.00007  -0.00036   2.35222
   D108       0.16275   0.00001  -0.00013  -0.00001  -0.00014   0.16261
   D109       1.77643   0.00001   0.00053   0.00007   0.00060   1.77703
   D110      -0.41340   0.00001   0.00069   0.00013   0.00082  -0.41258
   D111       2.61299  -0.00001   0.00012  -0.00011   0.00000   2.61299
   D112       0.42316   0.00000   0.00028  -0.00005   0.00022   0.42339
   D113       2.28526  -0.00001   0.00011  -0.00021  -0.00010   2.28516
   D114       0.09543  -0.00001   0.00027  -0.00015   0.00012   0.09555
   D115      -1.60981   0.00000  -0.00003   0.00007   0.00004  -1.60977
   D116       2.48355   0.00000   0.00013   0.00013   0.00026   2.48381
   D117      -1.77822   0.00001   0.00097   0.00034   0.00131  -1.77691
   D118       2.31514   0.00001   0.00113   0.00040   0.00153   2.31667
   D119      -2.73558   0.00000   0.00000   0.00006   0.00006  -2.73552
   D120       1.35778   0.00000   0.00016   0.00012   0.00028   1.35806
   D121      -2.70921   0.00000   0.00030   0.00012   0.00042  -2.70879
   D122       1.38415   0.00000   0.00046   0.00018   0.00064   1.38479
   D123       1.36893   0.00001  -0.00024  -0.00010  -0.00034   1.36859
   D124      -0.82089   0.00001  -0.00008  -0.00004  -0.00012  -0.82101
   D125       1.33457   0.00001   0.00000  -0.00009  -0.00009   1.33448
   D126      -0.85525   0.00001   0.00016  -0.00003   0.00013  -0.85512
   D127       1.68919   0.00000   0.00001  -0.00009  -0.00007   1.68912
   D128      -0.50063   0.00001   0.00017  -0.00003   0.00015  -0.50048
   D129       1.81438   0.00000  -0.00026  -0.00015  -0.00040   1.81398
   D130      -0.37545   0.00000  -0.00010  -0.00009  -0.00018  -0.37562
   D131       0.92954   0.00001   0.00039  -0.00002   0.00038   0.92992
   D132      -1.26029   0.00001   0.00055   0.00004   0.00060  -1.25969
   D133      -0.89070   0.00001  -0.00049  -0.00008  -0.00058  -0.89129
   D134      -3.08053   0.00001  -0.00033  -0.00002  -0.00036  -3.08089
   D135      -0.45129  -0.00001  -0.00109  -0.00043  -0.00152  -0.45281
   D136      -2.64111  -0.00001  -0.00093  -0.00037  -0.00130  -2.64241
   D137      -0.09964  -0.00002  -0.00279  -0.00122  -0.00400  -0.10365
   D138      -2.28947  -0.00002  -0.00263  -0.00116  -0.00378  -2.29325
   D139       0.29231  -0.00002  -0.00214  -0.00092  -0.00305   0.28926
   D140      -1.89751  -0.00002  -0.00198  -0.00086  -0.00283  -1.90034
   D141      -0.27017  -0.00001   0.00023  -0.00001   0.00022  -0.26995
   D142      -2.46000  -0.00001   0.00039   0.00005   0.00044  -2.45956
   D143      -0.01850  -0.00002   0.00147  -0.00024   0.00123  -0.01727
   D144      -2.20832  -0.00001   0.00163  -0.00018   0.00145  -2.20687
   D145      -2.47696   0.00000  -0.00120  -0.00021  -0.00140  -2.47835
   D146      -2.71522   0.00001  -0.00190  -0.00038  -0.00227  -2.71749
   D147      -2.37639  -0.00001  -0.00341  -0.00089  -0.00431  -2.38070
   D148       3.02408   0.00001  -0.00170  -0.00044  -0.00214   3.02194
   D149       2.64986   0.00001  -0.00162  -0.00049  -0.00210   2.64775
   D150       1.52642   0.00000  -0.00185  -0.00026  -0.00211   1.52431
   D151       2.62395   0.00000  -0.00149  -0.00024  -0.00174   2.62222
   D152       2.98997   0.00001  -0.00128  -0.00018  -0.00147   2.98850
   D153       1.26287   0.00001  -0.00224  -0.00058  -0.00281   1.26006
   D154       1.29904   0.00000  -0.00185  -0.00046  -0.00230   1.29673
   D155       1.67896   0.00001  -0.00177  -0.00040  -0.00216   1.67680
   D156       1.74725   0.00000  -0.00196  -0.00041  -0.00235   1.74490
   D157       0.93646   0.00001  -0.00138  -0.00036  -0.00174   0.93473
   D158      -0.97223   0.00002  -0.00077   0.00014  -0.00064  -0.97287
   D159      -0.63666   0.00000  -0.00128  -0.00013  -0.00141  -0.63807
   D160      -0.63776  -0.00001  -0.00280  -0.00083  -0.00363  -0.64139
   D161      -0.31545  -0.00004  -0.00273  -0.00109  -0.00385  -0.31930
   D162      -0.26765   0.00000  -0.00016  -0.00001  -0.00017  -0.26782
   D163       0.01829   0.00000   0.00022  -0.00013   0.00009   0.01838
   D164      -1.27279  -0.00001   0.00179   0.00013   0.00192  -1.27087
   D165       1.68691  -0.00001  -0.00021  -0.00018  -0.00039   1.68652
   D166      -1.63835   0.00000   0.00147   0.00003   0.00150  -1.63685
   D167       1.32135   0.00000  -0.00054  -0.00028  -0.00081   1.32054
   D168      -1.70823  -0.00001   0.00096  -0.00013   0.00083  -1.70740
   D169       1.25148  -0.00001  -0.00105  -0.00044  -0.00149   1.24999
   D170      -1.98387   0.00001   0.00202   0.00041   0.00243  -1.98144
   D171       0.97583   0.00001   0.00001   0.00010   0.00011   0.97595
   D172      -1.98978   0.00000   0.00178   0.00003   0.00182  -1.98796
   D173       0.96992   0.00000  -0.00022  -0.00028  -0.00049   0.96942
   D174      -2.29170   0.00000   0.00185   0.00003   0.00188  -2.28983
   D175       0.66800   0.00000  -0.00016  -0.00028  -0.00044   0.66756
   D176       1.97793   0.00000   0.00164   0.00020   0.00185   1.97977
   D177      -1.34556   0.00000  -0.00037  -0.00010  -0.00047  -1.34603
   D178       0.83125   0.00000   0.00194   0.00021   0.00215   0.83339
   D179      -2.49224   0.00000  -0.00007  -0.00010  -0.00017  -2.49241
   D180       0.36260   0.00000   0.00259   0.00038   0.00297   0.36557
   D181      -2.96088   0.00000   0.00058   0.00007   0.00066  -2.96023
   D182      -3.08188   0.00001   0.00171   0.00015   0.00187  -3.08001
   D183      -0.12218   0.00001  -0.00030  -0.00015  -0.00044  -0.12262
   D184       2.93559   0.00001   0.00178   0.00013   0.00192   2.93750
   D185      -0.38790   0.00001  -0.00022  -0.00018  -0.00040  -0.38829
   D186       3.08085   0.00001   0.00191   0.00017   0.00209   3.08294
   D187      -0.24264   0.00001  -0.00009  -0.00014  -0.00023  -0.24286
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   D189      -0.34155   0.00001  -0.00029  -0.00015  -0.00043  -0.34198
   D190       2.49266   0.00001   0.00196   0.00015   0.00212   2.49478
   D191      -0.83082   0.00001  -0.00005  -0.00016  -0.00020  -0.83102
   D192       0.30912   0.00002   0.00389   0.00104   0.00490   0.31402
   D193      -3.01437   0.00002   0.00188   0.00073   0.00258  -3.01178
   D194       0.66265   0.00000   0.00261   0.00051   0.00310   0.66575
   D195      -2.66083   0.00000   0.00060   0.00020   0.00078  -2.66005
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   D199      -2.19218  -0.00001   0.00113   0.00008   0.00121  -2.19097
   D200       1.47417  -0.00002   0.00375   0.00006   0.00381   1.47797
   D201      -1.84932  -0.00002   0.00175  -0.00025   0.00149  -1.84783
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   D203      -0.57752   0.00000  -0.00052  -0.00021  -0.00073  -0.57825
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   D205      -0.53025   0.00000   0.00024  -0.00001   0.00023  -0.53002
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   D208       1.17411   0.00000   0.00068   0.00004   0.00072   1.17484
   D209      -1.04298   0.00000   0.00086   0.00001   0.00087  -1.04211
   D210       2.10726   0.00000   0.00016   0.00012   0.00027   2.10754
   D211      -0.10983  -0.00001   0.00034   0.00009   0.00042  -0.10941
   D212       2.22648  -0.00001   0.00016   0.00004   0.00020   2.22668
   D213       0.00939  -0.00002   0.00034   0.00001   0.00034   0.00973
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   D216      -2.41975   0.00000   0.00033   0.00007   0.00040  -2.41934
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   D218      -2.06214   0.00000   0.00046   0.00022   0.00068  -2.06146
   D219       2.00396   0.00000   0.00063   0.00019   0.00082   2.00478
   D220      -2.25135   0.00001   0.00321   0.00108   0.00429  -2.24706
   D221       1.81474   0.00001   0.00339   0.00105   0.00444   1.81918
   D222      -2.90035   0.00000  -0.00003  -0.00004  -0.00007  -2.90041
   D223       1.16575   0.00000   0.00014  -0.00007   0.00008   1.16583
   D224       3.05421  -0.00001  -0.00017  -0.00011  -0.00027   3.05394
   D225       0.83712  -0.00001   0.00001  -0.00014  -0.00012   0.83699
   D226      -2.71192   0.00000  -0.00032  -0.00005  -0.00038  -2.71230
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   D228      -2.65724   0.00000   0.00004  -0.00001   0.00003  -2.65721
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   D230      -1.56045   0.00000  -0.00089  -0.00013  -0.00102  -1.56147
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   D232      -0.00528  -0.00002  -0.00276  -0.00111  -0.00389  -0.00917
   D233      -2.22237  -0.00002  -0.00259  -0.00115  -0.00375  -2.22612
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   D235      -2.39031   0.00000  -0.00147  -0.00072  -0.00219  -2.39250
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   D237      -2.14070   0.00000  -0.00009  -0.00015  -0.00026  -2.14095
   D238      -0.02613   0.00004  -0.00050   0.00008  -0.00040  -0.02653
   D239      -2.24322   0.00003  -0.00033   0.00004  -0.00026  -2.24348
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   D241      -2.79786   0.00000  -0.00198  -0.00052  -0.00250  -2.80036
   D242      -0.77829  -0.00001  -0.00166  -0.00053  -0.00218  -0.78048
   D243      -2.99538  -0.00001  -0.00149  -0.00056  -0.00204  -2.99742
   D244      -2.90224  -0.00001  -0.00086  -0.00044  -0.00130  -2.90354
   D245       0.01390  -0.00002  -0.00098  -0.00028  -0.00126   0.01264
   D246      -3.11352   0.00000  -0.00019  -0.00027  -0.00046  -3.11398
   D247      -0.19737   0.00000  -0.00031  -0.00011  -0.00043  -0.19780
   D248       2.76784   0.00001   0.00043  -0.00002   0.00041   2.76825
   D249      -0.59920   0.00001   0.00031   0.00014   0.00045  -0.59875
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   D251      -0.83735   0.00001   0.00028   0.00001   0.00030  -0.83705
   D252      -2.90601  -0.00001   0.00024  -0.00014   0.00010  -2.90591
   D253       0.01013  -0.00001   0.00012   0.00002   0.00014   0.01027
   D254      -3.07377  -0.00002   0.00030  -0.00029   0.00000  -3.07377
   D255      -0.15762  -0.00002   0.00018  -0.00013   0.00004  -0.15758
   D256      -0.65712   0.00000   0.00014  -0.00022  -0.00008  -0.65720
   D257       2.25903   0.00000   0.00002  -0.00006  -0.00004   2.25898
   D258      -0.91585   0.00000   0.00018  -0.00017   0.00001  -0.91584
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   D260      -0.76499   0.00000   0.00011  -0.00012  -0.00001  -0.76501
   D261       2.15115   0.00000  -0.00001   0.00004   0.00002   2.15118
   D262      -0.98148   0.00001   0.00093   0.00012   0.00105  -0.98043
   D263       1.93466   0.00001   0.00081   0.00028   0.00109   1.93575
   D264      -1.32288   0.00000   0.00000  -0.00021  -0.00020  -1.32308
   D265       1.59327   0.00000  -0.00012  -0.00005  -0.00016   1.59311
   D266      -1.56736   0.00000   0.00002  -0.00021  -0.00018  -1.56754
   D267       1.34879   0.00000  -0.00011  -0.00005  -0.00014   1.34864
   D268       1.98038   0.00001  -0.00030  -0.00024  -0.00054   1.97984
   D269      -1.38666   0.00000  -0.00042  -0.00008  -0.00050  -1.38716
   D270       0.86235   0.00000  -0.00057  -0.00029  -0.00086   0.86149
   D271      -2.50469   0.00000  -0.00069  -0.00013  -0.00082  -2.50551
   D272       1.12103  -0.00002  -0.00590  -0.00242  -0.00833   1.11270
   D273      -2.24601  -0.00002  -0.00602  -0.00226  -0.00829  -2.25430
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   D275      -2.18151   0.00000  -0.00260  -0.00106  -0.00367  -2.18519
   D276       1.60146   0.00000  -0.00068  -0.00051  -0.00120   1.60026
   D277      -1.76558   0.00000  -0.00080  -0.00035  -0.00116  -1.76674
   D278       1.58643   0.00003  -0.00080  -0.00030  -0.00109   1.58534
   D279      -1.78061   0.00003  -0.00092  -0.00014  -0.00105  -1.78166
   D280       0.82911  -0.00001  -0.00192  -0.00062  -0.00253   0.82659
   D281      -2.53792  -0.00001  -0.00204  -0.00046  -0.00249  -2.54041
   D282       0.79399  -0.00001  -0.00058  -0.00078  -0.00136   0.79263
   D283      -2.57305  -0.00002  -0.00070  -0.00062  -0.00132  -2.57437
   D284       1.62618   0.00000  -0.00159  -0.00068  -0.00227   1.62391
   D285      -2.58346   0.00000  -0.00242  -0.00105  -0.00348  -2.58694
   D286       1.65268   0.00000  -0.00084  -0.00044  -0.00128   1.65139
   D287      -2.55697   0.00000  -0.00167  -0.00081  -0.00249  -2.55946
   D288       1.31326   0.00002  -0.00007  -0.00010  -0.00017   1.31309
   D289      -2.89639   0.00002  -0.00090  -0.00048  -0.00138  -2.89776
   D290       1.22980   0.00001  -0.00070  -0.00048  -0.00118   1.22861
   D291      -2.97985   0.00000  -0.00153  -0.00086  -0.00239  -2.98224
   D292       2.03553   0.00000  -0.00084  -0.00039  -0.00123   2.03430
   D293      -2.17412  -0.00001  -0.00167  -0.00076  -0.00244  -2.17655
   D294       2.02347  -0.00001  -0.00100  -0.00052  -0.00153   2.02194
   D295      -2.18618  -0.00002  -0.00183  -0.00090  -0.00273  -2.18891
   D296      -2.30719   0.00001  -0.00071  -0.00042  -0.00113  -2.30833
   D297      -0.23365   0.00001  -0.00154  -0.00080  -0.00234  -0.23599
   D298      -2.29568   0.00001  -0.00079  -0.00037  -0.00116  -2.29684
   D299      -0.22214   0.00000  -0.00162  -0.00074  -0.00236  -0.22451
   D300      -1.91264   0.00001  -0.00102  -0.00035  -0.00137  -1.91401
   D301       0.16089   0.00001  -0.00185  -0.00072  -0.00257   0.15832
   D302      -1.86809   0.00002  -0.00024  -0.00005  -0.00029  -1.86838
   D303       0.20545   0.00001  -0.00107  -0.00043  -0.00150   0.20395
   D304      -2.64582   0.00000  -0.00102  -0.00041  -0.00142  -2.64724
   D305      -0.57228   0.00000  -0.00184  -0.00078  -0.00262  -0.57491
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   D307      -0.71218  -0.00001  -0.00172  -0.00074  -0.00246  -0.71463
   D308       1.53687   0.00001  -0.00187  -0.00059  -0.00246   1.53441
   D309      -2.67278   0.00001  -0.00269  -0.00097  -0.00366  -2.67644
   D310       2.63465   0.00000  -0.00167  -0.00059  -0.00225   2.63240
   D311      -1.57500  -0.00001  -0.00250  -0.00096  -0.00346  -1.57846
   D312       3.01635  -0.00001  -0.00130  -0.00056  -0.00185   3.01450
   D313      -1.19330  -0.00001  -0.00213  -0.00093  -0.00305  -1.19635
   D314      -0.37228  -0.00001  -0.00446  -0.00167  -0.00613  -0.37841
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   D316      -0.25383  -0.00001  -0.00325  -0.00133  -0.00458  -0.25841
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   D318       0.16109   0.00000  -0.00251  -0.00108  -0.00360   0.15749
   D319       2.23463  -0.00001  -0.00334  -0.00145  -0.00480   2.22983
   D320       0.29577   0.00001  -0.00258  -0.00092  -0.00350   0.29226
   D321       2.36930   0.00001  -0.00341  -0.00129  -0.00471   2.36460
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   D324      -0.59005  -0.00002  -0.00178  -0.00118  -0.00296  -0.59301
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   D328       0.30854   0.00000  -0.00056   0.00090   0.00032   0.30886
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   D330       0.66963  -0.00001  -0.00051   0.00088   0.00036   0.66999
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   D336       0.66915   0.00002  -0.00131   0.00103  -0.00030   0.66886
   D337       2.85243   0.00002   0.00011   0.00080   0.00089   2.85332
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   D404      -2.59438   0.00000  -0.00169  -0.00053  -0.00221  -2.59659
   D405       0.92578   0.00000  -0.00142  -0.00001  -0.00141   0.92437
   D406      -2.96648   0.00002  -0.00225   0.00011  -0.00212  -2.96860
   D407       0.55369   0.00001  -0.00197   0.00063  -0.00132   0.55236
   D408       1.82871   0.00001   0.00362   0.00062   0.00424   1.83294
   D409       2.32804   0.00000   0.00427   0.00080   0.00508   2.33313
   D410       2.54602   0.00000   0.00446   0.00086   0.00532   2.55134
   D411       2.78724   0.00000   0.00373   0.00051   0.00424   2.79148
   D412       2.76662   0.00000   0.00537   0.00118   0.00660   2.77321
   D413      -3.03465  -0.00001   0.00570   0.00117   0.00690  -3.02774
   D414      -0.83623   0.00000   0.00366   0.00061   0.00426  -0.83197
   D415      -0.46023   0.00001   0.00351   0.00061   0.00412  -0.45611
   D416      -0.14238   0.00000   0.00375   0.00066   0.00441  -0.13797
   D417       0.16486   0.00001   0.00364   0.00066   0.00431   0.16917
   D418      -0.33590   0.00001   0.00296   0.00052   0.00349  -0.33241
   D419      -0.02579   0.00001   0.00245   0.00044   0.00290  -0.02289
   D420      -2.63075   0.00000   0.00356   0.00054   0.00409  -2.62666
   D421      -2.25059  -0.00001   0.00359   0.00055   0.00413  -2.24646
   D422      -2.00984  -0.00001   0.00403   0.00064   0.00466  -2.00518
   D423      -1.69566  -0.00001   0.00395   0.00060   0.00455  -1.69111
   D424      -2.03273  -0.00001   0.00311   0.00042   0.00352  -2.02921
   D425       1.35304  -0.00001   0.00080  -0.00064   0.00016   1.35319
   D426       2.49481  -0.00001   0.00016  -0.00073  -0.00056   2.49424
   D427       2.94658  -0.00004   0.00089  -0.00056   0.00028   2.94686
   D428      -3.06906   0.00001   0.00039   0.00035   0.00074  -3.06831
   D429       0.01772   0.00003  -0.00032   0.00036   0.00004   0.01776
   D430       0.04395   0.00003   0.00015   0.00005   0.00021   0.04416
   D431       3.13073   0.00004  -0.00056   0.00006  -0.00050   3.13023
   D432      -0.04375  -0.00004  -0.00398  -0.00178  -0.00576  -0.04951
   D433       2.05118  -0.00001  -0.00377  -0.00153  -0.00531   2.04588
   D434      -2.14339  -0.00006  -0.00374  -0.00181  -0.00555  -2.14893
   D435      -3.13319  -0.00006  -0.00332  -0.00180  -0.00512  -3.13831
   D436      -1.03825  -0.00003  -0.00311  -0.00156  -0.00467  -1.04292
   D437       1.05036  -0.00008  -0.00308  -0.00184  -0.00491   1.04545
   D438      -2.34206  -0.00003   0.00186   0.00025   0.00212  -2.33994
   D439      -0.25145   0.00000   0.00201   0.00048   0.00249  -0.24895
   D440       1.85649  -0.00001   0.00208   0.00042   0.00250   1.85899
   D441       0.74725  -0.00001   0.00119   0.00027   0.00146   0.74871
   D442       2.83786   0.00001   0.00133   0.00051   0.00184   2.83970
   D443      -1.33739   0.00000   0.00140   0.00044   0.00185  -1.33554
   D444      -0.01091   0.00002   0.00039   0.00045   0.00084  -0.01007
   D445       3.11805   0.00002  -0.00040   0.00022  -0.00018   3.11787
   D446      -3.13199   0.00003   0.00045   0.00051   0.00096  -3.13103
   D447      -0.00303   0.00003  -0.00034   0.00028  -0.00006  -0.00310
   D448       2.45356  -0.00001  -0.00347  -0.00105  -0.00451   2.44905
   D449      -1.74366  -0.00001  -0.00361  -0.00115  -0.00477  -1.74843
   D450       0.36475  -0.00004  -0.00398  -0.00109  -0.00507   0.35968
   D451      -0.67600  -0.00001  -0.00271  -0.00083  -0.00354  -0.67955
   D452       1.40996  -0.00001  -0.00286  -0.00093  -0.00380   1.40616
   D453      -2.76481  -0.00004  -0.00323  -0.00087  -0.00410  -2.76891
   D454       2.06818   0.00000   0.00080   0.00009   0.00089   2.06907
   D455      -2.12952  -0.00001   0.00062   0.00004   0.00065  -2.12886
   D456      -0.03637   0.00000   0.00070   0.00009   0.00079  -0.03558
   D457      -1.08545   0.00000   0.00005  -0.00013  -0.00008  -1.08553
   D458       1.00004  -0.00001  -0.00013  -0.00018  -0.00032   0.99972
   D459       3.09319   0.00000  -0.00005  -0.00013  -0.00018   3.09300
   D460      -3.07579   0.00001  -0.00081  -0.00003  -0.00084  -3.07664
   D461      -0.02717   0.00000  -0.00131  -0.00023  -0.00154  -0.02871
   D462       0.08023  -0.00001  -0.00097  -0.00025  -0.00122   0.07901
   D463       3.12885  -0.00002  -0.00148  -0.00044  -0.00192   3.12694
   D464       1.92735  -0.00001  -0.00011  -0.00008  -0.00020   1.92716
   D465      -2.27307  -0.00002  -0.00044  -0.00005  -0.00049  -2.27356
   D466      -0.17963  -0.00002  -0.00047  -0.00013  -0.00059  -0.18022
   D467      -1.12482  -0.00001   0.00033   0.00010   0.00042  -1.12440
   D468       0.95794  -0.00001   0.00000   0.00013   0.00013   0.95806
   D469       3.05138  -0.00001  -0.00003   0.00006   0.00003   3.05141
   D470      -1.60507  -0.00002  -0.00460  -0.00146  -0.00606  -1.61113
   D471       0.49929  -0.00005  -0.00444  -0.00154  -0.00599   0.49331
   D472       2.58855  -0.00002  -0.00435  -0.00130  -0.00564   2.58290
   D473       1.44759  -0.00003  -0.00506  -0.00165  -0.00671   1.44088
   D474      -2.73124  -0.00006  -0.00490  -0.00174  -0.00663  -2.73787
   D475      -0.64199  -0.00003  -0.00480  -0.00149  -0.00629  -0.64828
   D476       0.00216  -0.00001  -0.00516   0.00124  -0.00392  -0.00176
   D477      -3.09575  -0.00003  -0.00584  -0.00091  -0.00674  -3.10250
   D478       3.11975   0.00003  -0.00456   0.00061  -0.00396   3.11579
   D479       0.02183   0.00001  -0.00524  -0.00154  -0.00678   0.01505
   D480      -0.26920  -0.00002  -0.00759  -0.00333  -0.01089  -0.28009
   D481       1.83868   0.00002  -0.00739  -0.00317  -0.01058   1.82810
   D482      -2.36213   0.00003  -0.00687  -0.00306  -0.00993  -2.37205
   D483       2.83078   0.00000  -0.00699  -0.00129  -0.00824   2.82254
   D484      -1.34452   0.00004  -0.00679  -0.00113  -0.00793  -1.35245
   D485       0.73786   0.00005  -0.00627  -0.00102  -0.00727   0.73058
   D486       0.00997   0.00008   0.00412   0.00079   0.00492   0.01488
   D487       2.10469   0.00001   0.00418  -0.00018   0.00402   2.10871
   D488      -2.09513   0.00004   0.00497   0.00016   0.00514  -2.08999
   D489      -3.09012   0.00006   0.00350  -0.00123   0.00227  -3.08785
   D490      -0.99540  -0.00002   0.00356  -0.00220   0.00137  -0.99403
   D491       1.08797   0.00001   0.00434  -0.00186   0.00249   1.09046
         Item               Value     Threshold  Converged?
 Maximum Force            0.000094     0.000450     YES
 RMS     Force            0.000018     0.000300     YES
 Maximum Displacement     0.027539     0.001800     NO 
 RMS     Displacement     0.003290     0.001200     NO 
 Predicted change in Energy=-4.516129D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:11:22 2016, MaxMem=  2952790016 cpu:         4.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.868744   -0.603850    1.687242
      2          6           0       -2.134830    1.014910   -1.410245
      3          8           0       -2.610224    0.029196   -1.999073
      4          7           0       -0.861862    1.118268   -0.937845
      5          1           0       -2.741969    1.915445   -1.187904
      6          6           0       -0.420784    2.287688   -0.176311
      7          1           0       -1.239074    3.018763   -0.119722
      8          1           0       -0.133044    1.982214    0.842717
      9          1           0        0.450871    2.752293   -0.665396
     10          6           0        0.113154    0.038510   -1.105880
     11          1           0        0.635326   -0.132370   -0.151464
     12          1           0       -0.409098   -0.879104   -1.406528
     13          1           0        0.859184    0.309004   -1.871299
     14          6           0       -1.977948   -4.035511    2.626232
     15          8           0       -2.138492   -3.883345    3.849298
     16          7           0       -2.894641   -3.736947    1.666151
     17          1           0       -1.030884   -4.422875    2.201299
     18          6           0       -4.214044   -3.197263    2.004870
     19          1           0       -4.480868   -2.423140    1.268213
     20          1           0       -4.978677   -3.991455    1.978281
     21          1           0       -4.180483   -2.754065    3.008775
     22          6           0       -2.606932   -3.922520    0.243723
     23          1           0       -3.307081   -4.652478   -0.194673
     24          1           0       -2.722440   -2.963172   -0.287507
     25          1           0       -1.576299   -4.282931    0.118814
     26          6           0        1.532485    0.367613    2.615857
     27          8           0        1.372015    1.385260    3.310737
     28          7           0        1.142768   -0.890577    2.957575
     29          1           0        2.011915    0.406456    1.617828
     30          6           0        1.445508   -2.043774    2.109505
     31          1           0        2.192701   -2.692931    2.596356
     32          1           0        0.529757   -2.633117    1.943457
     33          1           0        1.833816   -1.697276    1.142031
     34          6           0        0.503509   -1.161395    4.248020
     35          1           0        1.254173   -1.445855    5.005051
     36          1           0       -0.029400   -0.262426    4.583018
     37          1           0       -0.209237   -1.989642    4.125694
     38          6           0       -4.540657    1.363535    2.889245
     39          8           0       -4.755502    2.049911    1.876177
     40          7           0       -3.447771    1.458126    3.695600
     41          1           0       -5.239433    0.568572    3.220003
     42          6           0       -2.374478    2.419462    3.430881
     43          1           0       -2.461445    2.785975    2.400239
     44          1           0       -2.433771    3.268165    4.132787
     45          1           0       -1.402098    1.920459    3.564736
     46          6           0       -3.263571    0.568271    4.842574
     47          1           0       -4.104320   -0.137104    4.901954
     48          1           0       -2.323545    0.002594    4.730249
     49          1           0       -3.208768    1.154562    5.774557
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.505084   0.000000
     3  O    3.813064   1.242719   0.000000
     4  N    3.297056   1.361724   2.317122   0.000000
     5  H    3.921202   1.108610   2.057496   2.057382   0.000000
     6  C    3.732346   2.465869   3.635506   1.463567   2.559254
     7  H    4.096941   2.546223   3.788076   2.103210   2.148723
     8  H    3.227011   3.165227   4.245760   2.109023   3.306715
     9  H    4.709481   3.202991   4.308626   2.113655   3.341789
    10  C    3.484548   2.469702   2.866125   1.464503   3.417797
    11  H    3.142212   3.251853   3.738096   2.103345   4.083365
    12  H    3.431872   2.562314   2.453788   2.100988   3.646859
    13  H    4.575817   3.110465   3.483018   2.118548   4.001997
    14  C    3.559483   6.467187   6.189916   6.364725   7.109516
    15  O    3.937301   7.187191   7.052231   7.040075   7.704774
    16  N    3.296848   5.711538   5.262945   5.872486   6.333914
    17  H    3.943503   6.620533   6.321264   6.370797   7.388423
    18  C    3.510999   5.807629   5.386449   6.206489   6.204884
    19  H    3.210700   4.949568   4.493152   5.523175   5.280113
    20  H    4.607847   6.680813   6.131439   7.180614   7.065341
    21  H    3.422574   6.157728   5.940606   6.448567   6.440944
    22  C    3.693540   5.228452   4.543810   5.463599   6.012456
    23  H    4.690608   5.913635   5.065524   6.311331   6.666593
    24  H    3.192935   4.175041   3.449103   4.532421   4.961048
    25  H    4.010128   5.542301   4.914152   5.549766   6.440975
    26  C    3.657106   5.484313   6.210809   4.350307   5.927506
    27  O    4.134587   5.892605   6.774306   4.807487   6.119128
    28  N    3.281030   5.783717   6.284846   4.819574   6.336397
    29  H    4.010617   5.170584   5.881197   3.911104   5.722638
    30  C    3.638125   5.879032   6.134052   4.960727   6.639524
    31  H    4.656832   6.966238   7.183038   6.028778   7.740072
    32  H    3.152202   5.626317   5.700082   4.930658   6.418646
    33  H    3.898947   5.442447   5.709355   4.418128   6.278388
    34  C    3.534972   6.611589   7.080891   5.827031   7.039129
    35  H    4.633513   7.661379   8.134316   6.809577   8.100628
    36  H    3.447503   6.479478   7.075989   5.751455   6.738300
    37  H    3.258900   6.586491   6.881367   5.976992   7.063904
    38  C    3.529098   4.939145   5.422424   5.314160   4.490325
    39  O    3.925751   4.328940   4.868580   4.893578   3.668922
    40  N    3.283074   5.290550   5.930652   5.317071   4.955392
    41  H    3.884002   5.592582   5.868767   6.062424   5.242236
    42  C    3.526537   5.046455   5.937454   4.802799   4.660714
    43  H    3.514338   4.214634   5.193834   4.059891   3.702875
    44  H    4.614373   5.990971   6.936985   5.727500   5.498598
    45  H    3.180389   5.109536   5.999369   4.605279   4.937901
    46  C    3.643560   6.369560   6.893881   6.283625   6.201097
    47  H    3.943352   6.711921   7.062872   6.796524   6.569271
    48  H    3.136003   6.226241   6.735479   5.958903   6.233667
    49  H    4.646915   7.265964   7.877438   7.110950   7.019451
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098759   0.000000
     8  H    1.102056   1.795557   0.000000
     9  H    1.102200   1.795739   1.791196   0.000000
    10  C    2.491584   3.418031   2.763264   2.769964   0.000000
    11  H    2.640581   3.666609   2.459727   2.935887   1.101260
    12  H    3.397373   4.187850   3.649993   3.804716   1.097794
    13  H    2.902842   3.848831   3.339166   2.755102   1.102539
    14  C    7.089559   7.605851   6.541988   7.925166   5.907539
    15  O    7.565560   8.012563   6.889567   8.433206   6.708551
    16  N    6.768372   7.181215   6.404159   7.664124   5.566423
    17  H    7.145412   7.797977   6.608859   7.867438   5.670116
    18  C    7.016485   7.211332   6.695681   8.018040   6.234713
    19  H    6.384578   6.484589   6.204173   7.405809   5.727223
    20  H    8.052595   8.217627   7.775241   9.052467   7.188839
    21  H    7.049779   7.194784   6.595901   8.078920   6.569946
    22  C    6.597148   7.084104   6.429992   7.397959   4.990998
    23  H    7.516445   7.945451   7.427639   8.317116   5.876536
    24  H    5.734241   6.165392   5.695544   6.548225   4.209564
    25  H    6.677975   7.313368   6.469858   7.363341   4.798852
    26  C    3.911285   4.711001   2.919751   4.198000   3.996766
    27  O    4.023433   4.610225   2.951724   4.304291   4.785914
    28  N    4.729408   5.515964   3.788567   5.184124   4.293597
    29  H    3.560337   4.517982   2.772122   3.626696   3.340548
    30  C    5.241142   6.148636   4.506125   5.629533   4.055833
    31  H    6.270929   7.195666   5.508295   6.582056   5.048944
    32  H    5.441624   6.271301   4.790847   5.984562   4.075489
    33  H    4.764577   5.768510   4.182915   4.997800   3.320653
    34  C    5.685525   6.291859   4.677987   6.281829   5.500581
    35  H    6.602374   7.239640   5.567858   7.100965   6.391302
    36  H    5.413638   5.860484   4.363370   6.071659   5.698636
    37  H    6.070218   6.645918   5.153579   6.773199   5.620205
    38  C    5.217762   4.763833   4.898784   6.283269   6.274924
    39  O    4.801981   4.157830   4.737060   5.836030   6.053281
    40  N    4.984228   4.676603   4.404660   5.991041   6.144080
    41  H    6.140821   5.758478   5.807329   7.228037   6.902494
    42  C    4.104402   3.775591   3.451638   4.987269   5.695564
    43  H    3.324334   2.810442   2.914336   4.228573   5.144900
    44  H    4.856107   4.424176   4.215634   5.622262   6.660415
    45  H    3.885006   3.848127   3.003947   4.692490   5.258553
    46  C    6.018890   5.893036   5.272408   6.993194   6.860541
    47  H    6.725833   6.586832   6.061348   7.752016   7.342479
    48  H    5.737289   5.813396   4.881607   6.661172   6.324492
    49  H    6.668557   6.488256   5.870956   7.577512   7.721473
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795443   0.000000
    13  H    1.789624   1.798930   0.000000
    14  C    5.457041   5.356057   6.866724   0.000000
    15  O    6.145728   6.296029   7.699810   1.242908   0.000000
    16  N    5.362589   4.877145   6.555491   1.360596   2.315021
    17  H    5.169156   5.095228   6.522966   1.107949   2.057617
    18  C    6.128600   5.611517   7.283971   2.467565   2.860164
    19  H    5.782608   5.110539   6.770325   3.272394   3.779011
    20  H    7.137602   6.482647   8.209374   3.070204   3.402799
    21  H    6.328698   6.101945   7.654786   2.576743   2.480218
    22  C    5.003364   4.100755   5.864561   2.466725   3.636088
    23  H    5.997984   4.909710   6.692170   3.178796   4.279119
    24  H    4.393921   3.308641   5.103289   3.192813   4.277952
    25  H    4.710784   3.908333   5.565787   2.551408   3.793710
    26  C    2.951770   4.637200   4.537767   5.631230   5.750487
    27  O    3.851331   5.527413   5.317407   6.409021   6.353889
    28  N    3.240139   4.631826   4.983717   4.442889   4.529735
    29  H    2.305586   4.081751   3.675907   6.055324   6.372420
    30  C    3.069502   4.142283   4.661131   3.994255   4.388161
    31  H    4.066006   5.107094   5.545252   4.381521   4.663281
    32  H    3.263981   3.896205   4.828764   2.953214   3.509252
    33  H    2.357634   3.492166   3.749030   4.711660   5.280855
    34  C    4.520147   5.734671   6.303541   4.128967   3.814206
    35  H    5.357039   6.648009   7.107723   4.776160   4.334432
    36  H    4.782687   6.033169   6.540208   4.675684   4.254136
    37  H    4.738863   5.646124   6.510700   3.092297   2.717450
    38  C    6.186634   6.368114   7.275513   5.982169   5.849945
    39  O    6.159116   6.184376   6.971300   6.731252   6.778310
    40  N    5.831060   6.381841   7.131669   5.786533   5.501740
    41  H    6.809618   6.843442   7.948701   5.673396   5.461814
    42  C    5.329537   6.176065   6.559246   6.517006   6.321088
    43  H    4.961645   5.668898   5.950462   6.842332   6.832562
    44  H    6.271985   7.209934   7.459841   7.471355   7.163215
    45  H    4.709071   5.791120   6.104151   6.056894   5.857251
    46  C    6.374379   7.020982   7.882919   5.268757   4.697796
    47  H    6.928297   7.348617   8.409062   4.989784   4.359689
    48  H    5.710014   6.488647   7.335127   4.566467   3.988840
    49  H    7.179901   7.971319   8.701856   6.193845   5.498420
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056811   0.000000
    18  C    1.465201   3.416610   0.000000
    19  H    2.097751   4.095361   1.101420   0.000000
    20  H    2.122594   3.977553   1.102774   1.792100   0.000000
    21  H    2.102876   3.654712   1.097896   1.797025   1.797266
    22  C    1.463049   2.562496   2.492077   2.609474   2.939151
    23  H    2.114466   3.312774   2.788946   2.913376   2.820090
    24  H    2.108355   3.344586   2.744936   2.409143   3.358833
    25  H    2.104846   2.157268   3.419588   3.635446   3.888284
    26  C    6.111367   5.448991   6.790011   6.764974   7.861502
    27  O    6.866296   6.382727   7.342265   7.275442   8.427086
    28  N    5.105905   4.215904   5.909643   6.068605   6.931561
    29  H    6.422181   5.737726   7.204107   7.091197   8.266796
    30  C    4.679774   3.435267   5.776852   5.997802   6.714226
    31  H    5.276012   3.679711   6.453727   6.809793   7.314153
    32  H    3.608578   2.388580   4.777623   5.060277   5.673547
    33  H    5.176221   4.093586   6.290554   6.357519   7.236894
    34  C    4.984670   4.144958   5.606406   5.942665   6.573836
    35  H    5.797414   4.684566   6.478419   6.914459   7.381723
    36  H    5.365633   4.897438   5.724628   5.955853   6.722028
    37  H    4.039037   3.209209   4.689853   5.157513   5.600553
    38  C    5.497294   6.802523   4.657217   4.119493   5.449553
    39  O    6.082322   7.474988   5.276606   4.522525   6.046349
    40  N    5.604765   6.531497   5.011824   4.692944   5.915301
    41  H    5.142956   6.607888   4.087723   3.651745   4.733256
    42  C    6.425435   7.080586   6.079894   5.706558   7.070485
    43  H    6.578377   7.352115   6.247163   5.700388   7.242103
    44  H    7.440986   8.053001   7.035563   6.692334   7.988775
    45  H    6.151304   6.498818   6.044112   5.798249   7.089392
    46  C    5.362897   6.072294   4.809907   4.817303   5.651271
    47  H    4.989250   5.925148   4.215413   4.309504   4.916135
    48  H    4.868163   5.258454   4.608770   4.745938   5.529510
    49  H    6.395665   6.972744   5.844612   5.892819   6.635192
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389227   0.000000
    23  H    3.824772   1.102378   0.000000
    24  H    3.610415   1.102677   1.790022   0.000000
    25  H    4.179843   1.098956   1.797344   1.794576   0.000000
    26  C    6.522060   6.416155   7.518098   6.134170   6.125955
    27  O    6.932202   7.308291   8.404529   6.972861   7.142080
    28  N    5.640231   5.533346   6.624931   5.455826   5.192297
    29  H    7.090093   6.477804   7.561064   6.115457   6.092017
    30  C    5.741513   4.840775   5.890813   4.895177   4.255348
    31  H    6.386807   5.484820   6.471265   5.705113   4.782434
    32  H    4.830723   3.793478   4.834329   3.957641   3.238314
    33  H    6.385400   5.047664   6.078554   4.940197   4.400167
    34  C    5.100207   5.773478   6.815113   5.850142   5.578523
    35  H    5.935657   6.611524   7.623949   6.791677   6.319484
    36  H    5.090972   6.234536   7.269256   6.186155   6.203747
    37  H    4.195550   4.955265   5.945830   5.171102   4.814885
    38  C    4.135050   6.219361   6.872020   5.667279   6.953077
    39  O    4.969066   6.553716   7.162985   5.826308   7.300723
    40  N    4.330259   6.447776   7.245239   5.994925   7.018229
    41  H    3.493696   5.996516   6.530954   5.577732   6.824442
    42  C    5.495927   7.101602   8.001670   6.551354   7.518574
    43  H    5.832448   7.048094   7.923335   6.351754   7.480495
    44  H    6.370373   8.176842   9.067864   7.645383   8.594549
    45  H    5.466231   6.827968   7.808047   6.358689   7.098364
    46  C    3.904031   6.461254   7.254789   6.251531   6.978177
    47  H    3.230853   6.186328   6.855639   6.068505   6.815952
    48  H    3.743109   5.967893   6.847766   5.842325   6.339514
    49  H    4.885810   7.531871   8.328450   7.344444   8.013658
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242663   0.000000
    28  N    1.360770   2.314457   0.000000
    29  H    1.107892   2.057540   2.057336   0.000000
    30  C    2.465512   3.634093   1.463126   2.562458   0.000000
    31  H    3.131006   4.220842   2.116913   3.255211   1.103053
    32  H    3.234497   4.327378   2.107288   3.397327   1.101589
    33  H    2.554747   3.797180   2.103452   2.164207   1.098568
    34  C    2.461832   2.849255   1.465347   3.413408   2.497839
    35  H    3.012370   3.301484   2.124359   3.934273   2.962820
    36  H    2.589625   2.509488   2.100147   3.661519   3.386270
    37  H    3.296947   3.815033   2.097704   4.118761   2.608856
    38  C    6.160329   5.927716   6.114491   6.743048   6.931949
    39  O    6.551033   6.328206   6.678733   6.968904   7.434059
    40  N    5.211336   4.835677   5.209043   5.935598   6.222795
    41  H    6.801783   6.662316   6.552134   7.428007   7.262644
    42  C    4.487617   3.888473   4.852978   5.155560   6.021529
    43  H    4.674018   4.181678   5.178611   5.126913   6.218946
    44  H    5.142515   4.324940   5.609624   5.854786   6.881800
    45  H    3.453039   2.836663   3.840170   4.211668   5.093299
    46  C    5.291567   4.950016   5.009718   6.185137   6.038863
    47  H    6.103651   5.902525   5.646260   6.963424   6.498750
    48  H    4.412807   4.193321   3.994428   5.352241   5.026100
    49  H    5.751187   5.206458   5.572598   6.715176   6.732328
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787523   0.000000
    33  H    1.798663   1.794061   0.000000
    34  C    2.815487   2.734531   3.421118   0.000000
    35  H    2.870165   3.362696   3.914348   1.103408   0.000000
    36  H    3.846026   3.591673   4.167825   1.097435   1.796156
    37  H    2.933053   2.392139   3.627918   1.099529   1.791799
    38  C    7.866309   6.525092   7.283902   5.802168   6.778596
    39  O    8.443384   7.061815   7.615740   6.602676   7.624069
    40  N    7.089044   5.969003   6.661265   4.772806   5.679440
    41  H    8.140206   6.720411   7.712515   6.085309   7.029312
    42  C    6.905948   6.014612   6.316337   4.666162   5.530442
    43  H    7.191519   6.206649   6.334974   5.271336   6.204776
    44  H    7.700618   6.957067   7.198092   5.316191   6.048450
    45  H    5.928213   5.205349   5.424818   3.687281   4.523533
    46  C    6.741798   5.748312   6.694033   4.187617   4.949052
    47  H    7.176385   6.038000   7.199487   4.765385   5.516965
    48  H    5.675900   4.780639   5.748784   3.095101   3.869572
    49  H    7.353913   6.557469   7.417610   4.634110   5.222274
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795762   0.000000
    38  C    5.085672   5.615496   0.000000
    39  O    5.916919   6.484353   1.242408   0.000000
    40  N    3.928494   4.749756   1.361454   2.317471   0.000000
    41  H    5.449111   5.715558   1.108898   2.057772   2.056100
    42  C    3.744240   4.960970   2.469956   2.867569   1.464993
    43  H    4.469017   5.554831   2.566239   2.465588   2.100948
    44  H    4.295203   5.709039   3.100481   3.459316   2.120276
    45  H    2.772396   4.126315   3.258375   3.756768   2.101346
    46  C    3.349222   4.047936   2.465540   3.636018   1.463325
    47  H    4.089303   4.382481   2.548197   3.789776   2.105018
    48  H    2.314090   2.967286   3.187012   4.272195   2.110202
    49  H    3.679130   4.647790   3.184749   4.288520   2.114553
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417343   0.000000
    43  H    3.647753   1.097323   0.000000
    44  H    3.999089   1.102943   1.798610   0.000000
    45  H    4.083084   1.101111   1.796494   1.789788   0.000000
    46  C    2.556710   2.492042   3.395087   2.912352   2.631798
    47  H    2.148353   3.419421   4.183540   3.870169   3.650167
    48  H    3.332203   2.744486   3.632516   3.321605   2.426044
    49  H    3.315528   2.790847   3.821782   2.786278   2.955328
                   46         47         48         49
    46  C    0.000000
    47  H    1.099062   0.000000
    48  H    1.102840   1.794480   0.000000
    49  H    1.102421   1.797734   1.789198   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2136442      0.1909937      0.1860139
 Leave Link  202 at Mon Nov 14 01:11:22 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0908700358 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1846759080 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9061941278 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4046
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     222
 GePol: Fraction of low-weight points (<1% of avg)   =       5.49%
 GePol: Cavity surface area                          =    465.732 Ang**2
 GePol: Cavity volume                                =    458.115 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039764811 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9022176467 Hartrees.
 Leave Link  301 at Mon Nov 14 01:11:22 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:11:24 2016, MaxMem=  2952790016 cpu:        14.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:11:24 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001502    0.002108    0.000833
         Rot=    1.000000   -0.000079   -0.000053   -0.000102 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50891355011    
 Leave Link  401 at Mon Nov 14 01:11:31 2016, MaxMem=  2952790016 cpu:        79.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49110348.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.21D-15 for   3884.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.15D-15 for   2118   1101.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   3694.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.05D-09 for   2311   2290.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.04D-14 for   2164.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.32D-14 for   2273    108.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.44D-15 for    259.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.49D-16 for   2130    871.
 E= -1013.45102428254    
 DIIS: error= 2.30D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45102428254     IErMin= 1 ErrMin= 2.30D-04
 ErrMax= 2.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.72D-05 BMatP= 7.72D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.30D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=4.81D-05 MaxDP=2.09D-03              OVMax= 2.76D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.81D-05    CP:  1.00D+00
 E= -1013.45115610195     Delta-E=       -0.000131819408 Rises=F Damp=F
 DIIS: error= 4.83D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45115610195     IErMin= 2 ErrMin= 4.83D-05
 ErrMax= 4.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-06 BMatP= 7.72D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.256D-01 0.974D+00
 Coeff:      0.256D-01 0.974D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.14D-05 MaxDP=7.41D-04 DE=-1.32D-04 OVMax= 1.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.10D-05    CP:  1.00D+00  9.43D-01
 E= -1013.45115062650     Delta-E=        0.000005475450 Rises=F Damp=F
 DIIS: error= 1.34D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45115610195     IErMin= 2 ErrMin= 4.83D-05
 ErrMax= 1.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.45D-06 BMatP= 1.80D-06
 IDIUse=3 WtCom= 4.63D-01 WtEn= 5.37D-01
 Coeff-Com:  0.282D-02 0.698D+00 0.299D+00
 Coeff-En:   0.000D+00 0.776D+00 0.224D+00
 Coeff:      0.131D-02 0.740D+00 0.259D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.10D-06 MaxDP=5.11D-04 DE= 5.48D-06 OVMax= 8.62D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.12D-06    CP:  1.00D+00  9.65D-01  4.32D-01
 E= -1013.45115761482     Delta-E=       -0.000006988318 Rises=F Damp=F
 DIIS: error= 1.07D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45115761482     IErMin= 4 ErrMin= 1.07D-05
 ErrMax= 1.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-07 BMatP= 1.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.677D-04 0.261D+00 0.104D+00 0.635D+00
 Coeff:     -0.677D-04 0.261D+00 0.104D+00 0.635D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.51D-06 MaxDP=7.58D-05 DE=-6.99D-06 OVMax= 8.14D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.51D-07    CP:  1.00D+00  9.71D-01  3.76D-01  6.43D-01
 E= -1013.45115769145     Delta-E=       -0.000000076628 Rises=F Damp=F
 DIIS: error= 7.54D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45115769145     IErMin= 5 ErrMin= 7.54D-06
 ErrMax= 7.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-08 BMatP= 1.05D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.288D-05 0.152D+00 0.591D-01 0.418D+00 0.371D+00
 Coeff:     -0.288D-05 0.152D+00 0.591D-01 0.418D+00 0.371D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.70D-07 MaxDP=2.95D-05 DE=-7.66D-08 OVMax= 3.34D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.65D-07    CP:  1.00D+00  9.71D-01  3.73D-01  6.62D-01  6.72D-01
 E= -1013.45115771209     Delta-E=       -0.000000020643 Rises=F Damp=F
 DIIS: error= 6.07D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45115771209     IErMin= 6 ErrMin= 6.07D-07
 ErrMax= 6.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-10 BMatP= 2.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.140D-04 0.404D-01 0.153D-01 0.119D+00 0.147D+00 0.679D+00
 Coeff:     -0.140D-04 0.404D-01 0.153D-01 0.119D+00 0.147D+00 0.679D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.19D-08 MaxDP=2.89D-06 DE=-2.06D-08 OVMax= 4.32D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.26D-08    CP:  1.00D+00  9.71D-01  3.73D-01  6.66D-01  6.73D-01
                    CP:  8.90D-01
 E= -1013.45115771237     Delta-E=       -0.000000000274 Rises=F Damp=F
 DIIS: error= 1.49D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45115771237     IErMin= 7 ErrMin= 1.49D-07
 ErrMax= 1.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.40D-11 BMatP= 2.61D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.985D-05 0.125D-01 0.469D-02 0.385D-01 0.547D-01 0.349D+00
 Coeff-Com:  0.541D+00
 Coeff:     -0.985D-05 0.125D-01 0.469D-02 0.385D-01 0.547D-01 0.349D+00
 Coeff:      0.541D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.91D-08 MaxDP=8.64D-07 DE=-2.74D-10 OVMax= 1.08D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.51D-08    CP:  1.00D+00  9.71D-01  3.73D-01  6.66D-01  6.73D-01
                    CP:  8.89D-01  7.81D-01
 E= -1013.45115771228     Delta-E=        0.000000000086 Rises=F Damp=F
 DIIS: error= 3.83D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45115771237     IErMin= 8 ErrMin= 3.83D-08
 ErrMax= 3.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-12 BMatP= 3.40D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.339D-05 0.162D-02 0.635D-03 0.557D-02 0.104D-01 0.939D-01
 Coeff-Com:  0.268D+00 0.620D+00
 Coeff:     -0.339D-05 0.162D-02 0.635D-03 0.557D-02 0.104D-01 0.939D-01
 Coeff:      0.268D+00 0.620D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.75D-09 MaxDP=4.38D-07 DE= 8.64D-11 OVMax= 6.54D-07

 Error on total polarization charges =  0.04264
 SCF Done:  E(RB97D) =  -1013.45115771     A.U. after    8 cycles
            NFock=  8  Conv=0.78D-08     -V/T= 2.0213
 KE= 9.923536880208D+02 PE=-6.027181055673D+03 EE= 2.173473992293D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:13:13 2016, MaxMem=  2952790016 cpu:      1170.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     364
 Leave Link  701 at Mon Nov 14 01:13:21 2016, MaxMem=  2952790016 cpu:        97.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:13:22 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:13:59 2016, MaxMem=  2952790016 cpu:       442.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.42829458D+00-2.76795881D+00 3.37661555D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000348051   -0.000572008   -0.000172139
      2        6           0.000085304    0.000136139    0.000078068
      3        8           0.000017205   -0.000018642    0.000022244
      4        7          -0.000014309    0.000047942    0.000053062
      5        1           0.000036881    0.000035814   -0.000062137
      6        6          -0.000099245    0.000034831    0.000028283
      7        1           0.000074405    0.000065855   -0.000015211
      8        1           0.000014594    0.000042141    0.000038009
      9        1           0.000096935   -0.000095734    0.000043057
     10        6           0.000052599    0.000023494    0.000027273
     11        1           0.000031868    0.000064783    0.000048327
     12        1           0.000018080    0.000021966    0.000023121
     13        1           0.000034049    0.000019469    0.000019703
     14        6          -0.000033416   -0.000000281   -0.000034771
     15        8          -0.000024903   -0.000040456   -0.000023338
     16        7          -0.000044042    0.000011707   -0.000053271
     17        1          -0.000007434    0.000024365   -0.000033347
     18        6           0.000005461    0.000053935   -0.000034699
     19        1          -0.000033802    0.000071904    0.000002360
     20        1          -0.000013398    0.000010278   -0.000060129
     21        1          -0.000040594   -0.000023625   -0.000025218
     22        6          -0.000025598    0.000017649   -0.000031502
     23        1           0.000006178    0.000009484   -0.000033702
     24        1          -0.000019196    0.000038065   -0.000041251
     25        1           0.000004920    0.000018557   -0.000029656
     26        6          -0.000020540    0.000014437    0.000016317
     27        8           0.000007615   -0.000018783    0.000031173
     28        7          -0.000004327   -0.000014779   -0.000006720
     29        1          -0.000002076   -0.000007973    0.000030788
     30        6          -0.000015859   -0.000023883    0.000013974
     31        1           0.000001636   -0.000001642    0.000010758
     32        1           0.000020527    0.000017904   -0.000021811
     33        1          -0.000010666   -0.000002839    0.000014624
     34        6          -0.000048053    0.000004215   -0.000057718
     35        1          -0.000026176   -0.000040881    0.000015077
     36        1           0.000039937   -0.000013997    0.000082645
     37        1          -0.000045716   -0.000002496   -0.000007379
     38        6           0.000054818   -0.000044837    0.000253091
     39        8           0.000051934    0.000031542   -0.000106923
     40        7          -0.000036025   -0.000103961   -0.000063724
     41        1          -0.000077966    0.000071254   -0.000005701
     42        6          -0.000036986    0.000004888    0.000064259
     43        1           0.000013616    0.000006133   -0.000003088
     44        1          -0.000049161   -0.000064640    0.000048723
     45        1          -0.000081510    0.000120028   -0.000110836
     46        6          -0.000067941    0.000112270    0.000149324
     47        1          -0.000005868   -0.000041721   -0.000077069
     48        1          -0.000087548    0.000018918    0.000019578
     49        1          -0.000044259   -0.000016787   -0.000022497
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000572008 RMS     0.000076656
 Leave Link  716 at Mon Nov 14 01:13:59 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000091080 RMS     0.000016086
 Search for a local minimum.
 Step number  21 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .16086D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   16   17   18   19   20
                                                     21
 DE= -8.29D-06 DEPred=-4.52D-06 R= 1.83D+00
 TightC=F SS=  1.41D+00  RLast= 7.50D-02 DXNew= 2.2445D+00 2.2512D-01
 Trust test= 1.83D+00 RLast= 7.50D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0
     Eigenvalues ---    0.00042   0.00107   0.00181   0.00350   0.00361
     Eigenvalues ---    0.00405   0.00425   0.00600   0.00701   0.00731
     Eigenvalues ---    0.00766   0.00801   0.00907   0.00913   0.00946
     Eigenvalues ---    0.01023   0.01037   0.01058   0.01194   0.01244
     Eigenvalues ---    0.01298   0.01360   0.01399   0.01485   0.01519
     Eigenvalues ---    0.01555   0.01615   0.01761   0.01776   0.01834
     Eigenvalues ---    0.01876   0.01935   0.01974   0.02066   0.02089
     Eigenvalues ---    0.02142   0.02229   0.02249   0.02521   0.02701
     Eigenvalues ---    0.02909   0.02991   0.03458   0.03636   0.04131
     Eigenvalues ---    0.04269   0.04451   0.04884   0.05243   0.05631
     Eigenvalues ---    0.05706   0.06009   0.06055   0.06230   0.06474
     Eigenvalues ---    0.06924   0.07239   0.07296   0.07542   0.07762
     Eigenvalues ---    0.07949   0.08148   0.08203   0.08258   0.08446
     Eigenvalues ---    0.08529   0.08637   0.08758   0.08834   0.08900
     Eigenvalues ---    0.09066   0.09130   0.09630   0.09849   0.09986
     Eigenvalues ---    0.10025   0.10089   0.10149   0.10374   0.10499
     Eigenvalues ---    0.10542   0.10596   0.10674   0.10773   0.11308
     Eigenvalues ---    0.11435   0.11598   0.11759   0.12481   0.13281
     Eigenvalues ---    0.13492   0.14449   0.14672   0.15164   0.15344
     Eigenvalues ---    0.15724   0.16440   0.22035   0.23268   0.23556
     Eigenvalues ---    0.24102   0.24406   0.25158   0.25751   0.26498
     Eigenvalues ---    0.27009   0.27858   0.28648   0.29309   0.29823
     Eigenvalues ---    0.29924   0.29997   0.32718   0.32731   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33424   0.33449   0.33501   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33832   0.33914   0.33915
     Eigenvalues ---    0.33962   0.34003   0.34144   0.37259   0.39280
     Eigenvalues ---    0.40596   0.41554   0.85939   0.85991   0.86093
     Eigenvalues ---    0.87433
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    21   20   19   18   17
 RFO step:  Lambda=-9.80693661D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.53D-05 SmlDif=  1.00D-05
 RMS Error=  0.9542560298D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.43704   -1.81143    0.24598    0.11111    0.01729
 Iteration  1 RMS(Cart)=  0.00348664 RMS(Int)=  0.00002018
 Iteration  2 RMS(Cart)=  0.00001011 RMS(Int)=  0.00000421
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000421
 ITry= 1 IFail=0 DXMaxC= 2.83D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.62365   0.00004  -0.00137  -0.00012  -0.00148   6.62217
    R2        6.23053   0.00001   0.00246   0.00079   0.00325   6.23378
    R3        7.05311   0.00004   0.00982   0.00317   0.01298   7.06609
    R4        6.09817   0.00003   0.00950   0.00313   0.01265   6.11082
    R5        6.58484  -0.00006  -0.00100  -0.00064  -0.00164   6.58320
    R6        5.93792  -0.00003  -0.00018   0.00009  -0.00009   5.93783
    R7        6.72645   0.00000  -0.00079  -0.00036  -0.00115   6.72530
    R8        6.23014  -0.00001  -0.00011  -0.00018  -0.00029   6.22985
    R9        6.63483   0.00001   0.00145   0.00070   0.00214   6.63697
   R10        6.06734   0.00000  -0.00357  -0.00106  -0.00463   6.06271
   R11        6.97978  -0.00002  -0.00251  -0.00080  -0.00331   6.97647
   R12        6.03377   0.00000  -0.00285  -0.00081  -0.00366   6.03012
   R13        6.91093   0.00001  -0.00037  -0.00070  -0.00108   6.90985
   R14        6.20025  -0.00001   0.00042  -0.00009   0.00032   6.20057
   R15        6.87506  -0.00003   0.00084   0.00002   0.00085   6.87591
   R16        5.95680  -0.00001   0.00137   0.00039   0.00176   5.95856
   R17        6.68013   0.00001   0.00251   0.00078   0.00329   6.68342
   R18        6.66903   0.00005   0.00485   0.00306   0.00792   6.67694
   R19        6.20411   0.00005  -0.00406   0.00059  -0.00347   6.20064
   R20        6.66419   0.00000  -0.00619   0.00077  -0.00543   6.65875
   R21        6.01007   0.00002   0.00278   0.00022   0.00300   6.01307
   R22        6.88533   0.00009   0.00070  -0.00031   0.00040   6.88573
   R23        5.92619   0.00005   0.00346  -0.00091   0.00255   5.92874
   R24        2.34840   0.00003   0.00011   0.00002   0.00013   2.34853
   R25        2.57329  -0.00004  -0.00032   0.00004  -0.00029   2.57300
   R26        2.09497  -0.00001   0.00001   0.00001   0.00002   2.09499
   R27        2.76574  -0.00004  -0.00055   0.00012  -0.00042   2.76532
   R28        2.76751   0.00002  -0.00032   0.00009  -0.00022   2.76729
   R29        2.07635   0.00000   0.00003  -0.00002   0.00001   2.07637
   R30        2.08258   0.00001  -0.00003   0.00004   0.00002   2.08261
   R31        2.08286   0.00001   0.00004   0.00000   0.00004   2.08290
   R32        2.08108  -0.00002   0.00002  -0.00002   0.00000   2.08108
   R33        2.07453   0.00000  -0.00002  -0.00001  -0.00003   2.07450
   R34        2.08350   0.00000   0.00002   0.00001   0.00003   2.08353
   R35        2.34875   0.00000  -0.00003  -0.00002  -0.00004   2.34871
   R36        2.57115   0.00001   0.00003   0.00005   0.00008   2.57123
   R37        2.09372   0.00000   0.00002  -0.00001   0.00001   2.09373
   R38        2.76883   0.00001  -0.00011  -0.00001  -0.00011   2.76872
   R39        2.76476  -0.00001  -0.00012   0.00006  -0.00006   2.76470
   R40        2.08138   0.00001  -0.00002   0.00009   0.00007   2.08145
   R41        2.08394   0.00000   0.00005  -0.00001   0.00003   2.08397
   R42        2.07472   0.00000   0.00006  -0.00010  -0.00004   2.07469
   R43        2.08319   0.00000   0.00001   0.00000   0.00001   2.08320
   R44        2.08376   0.00001   0.00008  -0.00002   0.00005   2.08381
   R45        2.07673   0.00000   0.00000   0.00000  -0.00001   2.07672
   R46        2.34829   0.00000  -0.00003   0.00004   0.00001   2.34830
   R47        2.57148   0.00001  -0.00007   0.00008   0.00001   2.57149
   R48        2.09361   0.00000   0.00000  -0.00001  -0.00001   2.09360
   R49        2.76491   0.00000  -0.00018   0.00003  -0.00014   2.76476
   R50        2.76910   0.00000  -0.00006  -0.00008  -0.00014   2.76897
   R51        2.08447   0.00000   0.00002   0.00000   0.00002   2.08448
   R52        2.08170  -0.00001  -0.00013   0.00003  -0.00010   2.08160
   R53        2.07599   0.00000  -0.00002  -0.00001  -0.00003   2.07597
   R54        2.08514   0.00000   0.00000   0.00003   0.00004   2.08518
   R55        2.07385   0.00000  -0.00016   0.00005  -0.00011   2.07374
   R56        2.07781   0.00000   0.00001   0.00005   0.00006   2.07787
   R57        2.34781   0.00009   0.00009  -0.00002   0.00008   2.34789
   R58        2.57277  -0.00008   0.00005  -0.00009  -0.00002   2.57275
   R59        2.09551   0.00000  -0.00007   0.00006  -0.00001   2.09550
   R60        2.76843  -0.00002   0.00061  -0.00010   0.00053   2.76897
   R61        2.76528  -0.00004   0.00058  -0.00017   0.00041   2.76570
   R62        2.07364   0.00002   0.00042  -0.00013   0.00029   2.07393
   R63        2.08426  -0.00002  -0.00020   0.00008  -0.00011   2.08415
   R64        2.08080  -0.00006  -0.00048   0.00017  -0.00030   2.08050
   R65        2.07693   0.00000   0.00009  -0.00007   0.00002   2.07695
   R66        2.08407  -0.00001   0.00000   0.00001   0.00001   2.08407
   R67        2.08327  -0.00002  -0.00002  -0.00008  -0.00010   2.08318
    A1        0.69262  -0.00001  -0.00066  -0.00015  -0.00081   0.69181
    A2        0.97575  -0.00001  -0.00110  -0.00028  -0.00138   0.97437
    A3        0.72225   0.00000   0.00015   0.00007   0.00022   0.72247
    A4        1.01701   0.00000   0.00000   0.00003   0.00003   1.01703
    A5        2.31317   0.00001   0.00091   0.00013   0.00104   2.31421
    A6        1.99283   0.00001   0.00093   0.00011   0.00104   1.99387
    A7        1.95020   0.00001   0.00085   0.00007   0.00092   1.95112
    A8        1.65549   0.00001   0.00125   0.00021   0.00147   1.65696
    A9        1.62524   0.00001   0.00077   0.00006   0.00083   1.62607
   A10        1.34324   0.00001   0.00073   0.00003   0.00076   1.34400
   A11        1.74398  -0.00002  -0.00053  -0.00016  -0.00070   1.74328
   A12        2.04001  -0.00002  -0.00039  -0.00010  -0.00049   2.03952
   A13        1.93319  -0.00001  -0.00016  -0.00004  -0.00019   1.93300
   A14        2.01186  -0.00001   0.00029   0.00006   0.00035   2.01221
   A15        2.44022  -0.00002  -0.00056  -0.00015  -0.00071   2.43952
   A16        1.55685   0.00002   0.00269   0.00017   0.00285   1.55970
   A17        1.78649   0.00000   0.00135  -0.00006   0.00128   1.78777
   A18        1.60092  -0.00001  -0.00075  -0.00033  -0.00108   1.59984
   A19        1.73784  -0.00004  -0.00072  -0.00066  -0.00138   1.73646
   A20        2.19897  -0.00001   0.00144  -0.00006   0.00139   2.20035
   A21        2.42979  -0.00002   0.00108  -0.00017   0.00091   2.43070
   A22        0.65802   0.00000  -0.00071  -0.00014  -0.00085   0.65717
   A23        0.66382   0.00000  -0.00027  -0.00006  -0.00032   0.66350
   A24        2.37888   0.00000   0.00015   0.00003   0.00018   2.37907
   A25        2.19730   0.00001   0.00041   0.00005   0.00047   2.19776
   A26        2.29406   0.00000   0.00056   0.00003   0.00060   2.29466
   A27        2.02696   0.00000   0.00115   0.00022   0.00137   2.02833
   A28        1.79176   0.00001   0.00024  -0.00002   0.00023   1.79199
   A29        1.54597   0.00000   0.00035  -0.00002   0.00033   1.54631
   A30        1.34837  -0.00001  -0.00043  -0.00015  -0.00058   1.34778
   A31        1.64447  -0.00001  -0.00049  -0.00012  -0.00062   1.64385
   A32        1.59173  -0.00001  -0.00060  -0.00013  -0.00073   1.59101
   A33        1.74020  -0.00001  -0.00040  -0.00007  -0.00047   1.73974
   A34        2.04228  -0.00001  -0.00052  -0.00015  -0.00067   2.04161
   A35        1.78361   0.00001   0.00403   0.00031   0.00434   1.78795
   A36        1.88166   0.00000   0.00273   0.00015   0.00288   1.88455
   A37        1.56047   0.00000   0.00099  -0.00002   0.00097   1.56144
   A38        1.58144  -0.00002   0.00070  -0.00039   0.00031   1.58174
   A39        2.26319  -0.00001   0.00211   0.00007   0.00218   2.26537
   A40        2.36866  -0.00001   0.00124  -0.00009   0.00116   2.36981
   A41        0.70178  -0.00001  -0.00090  -0.00020  -0.00111   0.70068
   A42        0.77048  -0.00001  -0.00122  -0.00035  -0.00157   0.76891
   A43        2.66928  -0.00001  -0.00105  -0.00021  -0.00127   2.66802
   A44        2.59398  -0.00001  -0.00051  -0.00018  -0.00069   2.59329
   A45        2.63948   0.00000   0.00037  -0.00005   0.00032   2.63980
   A46        2.33152   0.00000   0.00083   0.00009   0.00092   2.33244
   A47        2.18768  -0.00001  -0.00067  -0.00025  -0.00091   2.18676
   A48        1.94699  -0.00001  -0.00046  -0.00023  -0.00068   1.94631
   A49        1.11540  -0.00001  -0.00072  -0.00022  -0.00094   1.11446
   A50        1.47559  -0.00001  -0.00087  -0.00020  -0.00107   1.47451
   A51        1.58196  -0.00001  -0.00139  -0.00031  -0.00170   1.58027
   A52        1.81742  -0.00001  -0.00140  -0.00029  -0.00169   1.81573
   A53        1.79625  -0.00001  -0.00046  -0.00011  -0.00058   1.79567
   A54        1.60269   0.00002   0.00542   0.00056   0.00598   1.60867
   A55        1.57625   0.00002   0.00407   0.00047   0.00454   1.58079
   A56        1.20074   0.00002   0.00248   0.00034   0.00283   1.20357
   A57        1.18416  -0.00001   0.00172  -0.00013   0.00159   1.18575
   A58        1.90888   0.00000   0.00299   0.00033   0.00332   1.91220
   A59        1.97245   0.00000   0.00204   0.00014   0.00218   1.97463
   A60        0.84541   0.00000  -0.00018   0.00011  -0.00008   0.84533
   A61        0.79257  -0.00001  -0.00028   0.00003  -0.00025   0.79232
   A62        2.60244   0.00001   0.00017   0.00033   0.00049   2.60293
   A63        2.75786   0.00001   0.00006   0.00021   0.00026   2.75812
   A64        2.60124  -0.00001  -0.00001  -0.00022  -0.00023   2.60100
   A65        2.38221   0.00000  -0.00018   0.00005  -0.00014   2.38207
   A66        2.18231   0.00000  -0.00017  -0.00004  -0.00021   2.18210
   A67        0.86760   0.00000   0.00010   0.00010   0.00020   0.86780
   A68        1.24261   0.00000   0.00007   0.00016   0.00023   1.24284
   A69        1.42788   0.00000  -0.00028   0.00015  -0.00013   1.42775
   A70        1.69906   0.00000  -0.00030   0.00018  -0.00011   1.69895
   A71        1.52581  -0.00001   0.00031   0.00016   0.00047   1.52628
   A72        1.62043   0.00000   0.00426   0.00007   0.00433   1.62476
   A73        1.48616   0.00001   0.00327   0.00011   0.00338   1.48954
   A74        1.06958   0.00001   0.00233   0.00011   0.00244   1.07202
   A75        0.97582  -0.00002   0.00176  -0.00023   0.00153   0.97735
   A76        1.74644   0.00000   0.00213   0.00002   0.00216   1.74860
   A77        1.74871   0.00000   0.00148  -0.00004   0.00145   1.75016
   A78        1.98956   0.00000  -0.00003  -0.00002  -0.00005   1.98951
   A79        1.92522   0.00001   0.00013   0.00001   0.00014   1.92535
   A80        2.20014   0.00001   0.00016  -0.00002   0.00014   2.20028
   A81        2.05169   0.00001   0.00100   0.00027   0.00127   2.05297
   A82        1.53683   0.00001   0.00000  -0.00005  -0.00005   1.53678
   A83        1.36181   0.00000   0.00021  -0.00003   0.00018   1.36200
   A84        1.18704  -0.00002   0.00010  -0.00003   0.00007   1.18711
   A85        1.37394  -0.00001  -0.00008  -0.00006  -0.00014   1.37380
   A86        1.21094  -0.00001  -0.00031  -0.00011  -0.00042   1.21052
   A87        1.31920  -0.00001  -0.00023  -0.00008  -0.00031   1.31889
   A88        1.80088  -0.00002  -0.00024  -0.00012  -0.00036   1.80052
   A89        2.21538   0.00001   0.00397   0.00035   0.00431   2.21969
   A90        2.27591   0.00001   0.00309   0.00025   0.00334   2.27925
   A91        1.89637   0.00001   0.00186   0.00020   0.00206   1.89843
   A92        1.81669  -0.00002   0.00169  -0.00011   0.00159   1.81828
   A93        2.59173  -0.00001   0.00197   0.00014   0.00211   2.59384
   A94        2.54036   0.00000   0.00060  -0.00002   0.00058   2.54094
   A95        1.90019   0.00001   0.00017   0.00015   0.00032   1.90051
   A96        1.96799   0.00001   0.00039   0.00022   0.00061   1.96860
   A97        2.34074   0.00002   0.00038   0.00019   0.00057   2.34131
   A98        2.28762   0.00002   0.00128   0.00047   0.00175   2.28937
   A99        1.63624   0.00001   0.00032   0.00017   0.00050   1.63673
   A100       1.53282   0.00001   0.00057   0.00020   0.00078   1.53360
   A101       0.88611  -0.00002  -0.00001  -0.00012  -0.00013   0.88598
   A102       1.05667  -0.00001  -0.00015  -0.00010  -0.00025   1.05641
   A103       0.92896  -0.00001  -0.00032  -0.00008  -0.00039   0.92857
   A104       1.09031  -0.00001  -0.00021   0.00000  -0.00021   1.09010
   A105       1.48346  -0.00001  -0.00030  -0.00016  -0.00046   1.48299
   A106       2.37317   0.00000   0.00420   0.00021   0.00441   2.37758
   A107       2.27445   0.00000   0.00292   0.00012   0.00304   2.27749
   A108       1.84936   0.00000   0.00220   0.00015   0.00236   1.85171
   A109       1.68044  -0.00001   0.00183  -0.00012   0.00171   1.68215
   A110       2.43960  -0.00001   0.00095  -0.00007   0.00088   2.44048
   A111       2.28414   0.00000  -0.00012  -0.00016  -0.00028   2.28386
   A112       0.71287   0.00000  -0.00001   0.00001   0.00000   0.71287
   A113       1.00414   0.00001   0.00012   0.00006   0.00018   1.00431
   A114       0.69309   0.00000   0.00016   0.00007   0.00023   0.69332
   A115       0.97950   0.00000   0.00025   0.00010   0.00035   0.97985
   A116       1.79020   0.00001   0.00027   0.00023   0.00050   1.79070
   A117       1.41190   0.00001   0.00024   0.00016   0.00040   1.41230
   A118       1.17641   0.00001   0.00048   0.00018   0.00065   1.17706
   A119       0.90366   0.00001   0.00045   0.00014   0.00059   0.90424
   A120       1.24235   0.00001  -0.00009   0.00008   0.00000   1.24235
   A121       2.00907  -0.00001  -0.00437  -0.00035  -0.00473   2.00434
   A122       2.01460  -0.00001  -0.00297  -0.00021  -0.00318   2.01142
   A123       2.33462   0.00000  -0.00084   0.00005  -0.00079   2.33382
   A124       2.23189   0.00003  -0.00014   0.00054   0.00040   2.23229
   A125       1.64080   0.00001  -0.00228  -0.00010  -0.00238   1.63842
   A126       1.49674   0.00001  -0.00177   0.00005  -0.00173   1.49501
   A127       0.65592   0.00000   0.00023   0.00009   0.00033   0.65625
   A128       0.66101   0.00000   0.00016   0.00008   0.00023   0.66124
   A129       2.14536   0.00001   0.00044   0.00028   0.00071   2.14608
   A130       1.77730   0.00001   0.00035   0.00020   0.00056   1.77786
   A131       1.47875   0.00001   0.00062   0.00022   0.00084   1.47959
   A132       1.18694   0.00001   0.00064   0.00020   0.00083   1.18778
   A133       1.63441   0.00001  -0.00004   0.00011   0.00008   1.63448
   A134       1.87169  -0.00001  -0.00427  -0.00037  -0.00464   1.86705
   A135       2.03881  -0.00001  -0.00334  -0.00033  -0.00367   2.03514
   A136       2.45476  -0.00001  -0.00229  -0.00028  -0.00258   2.45218
   A137       2.50432   0.00002  -0.00115   0.00033  -0.00083   2.50349
   A138       1.76413   0.00000  -0.00220  -0.00014  -0.00234   1.76180
   A139       1.71616   0.00000  -0.00159   0.00003  -0.00156   1.71460
   A140       0.70466   0.00000   0.00005   0.00002   0.00007   0.70473
   A141       0.83867   0.00000  -0.00007   0.00001  -0.00006   0.83861
   A142       2.48897   0.00001   0.00018   0.00022   0.00040   2.48937
   A143       2.11010   0.00001   0.00018   0.00017   0.00034   2.11044
   A144       1.88144   0.00001   0.00049   0.00019   0.00068   1.88212
   A145       1.59620   0.00001   0.00051   0.00016   0.00066   1.59686
   A146       1.84028   0.00001  -0.00008   0.00012   0.00004   1.84032
   A147       1.44570  -0.00001  -0.00410  -0.00032  -0.00442   1.44128
   A148       1.65821  -0.00001  -0.00319  -0.00032  -0.00351   1.65470
   A149       2.08602  -0.00002  -0.00270  -0.00039  -0.00310   2.08292
   A150       2.25349   0.00000  -0.00207   0.00001  -0.00206   2.25143
   A151       1.47421   0.00000  -0.00179  -0.00011  -0.00191   1.47230
   A152       1.52897   0.00000  -0.00110   0.00004  -0.00106   1.52790
   A153       0.76305   0.00001   0.00069   0.00025   0.00094   0.76399
   A154       0.77140   0.00001   0.00062   0.00026   0.00088   0.77227
   A155       2.79432   0.00002   0.00040   0.00030   0.00069   2.79501
   A156       2.41546   0.00002   0.00030   0.00021   0.00051   2.41598
   A157       2.13179   0.00001   0.00093   0.00034   0.00127   2.13306
   A158       1.83887   0.00002   0.00097   0.00032   0.00128   1.84015
   A159       2.15453   0.00001  -0.00037   0.00003  -0.00034   2.15419
   A160       1.31230  -0.00001  -0.00417  -0.00052  -0.00469   1.30762
   A161       1.61524  -0.00002  -0.00361  -0.00062  -0.00423   1.61101
   A162       2.01932  -0.00003  -0.00371  -0.00078  -0.00450   2.01482
   A163       2.27334  -0.00002  -0.00327  -0.00055  -0.00382   2.26952
   A164       1.55465  -0.00001  -0.00213  -0.00040  -0.00253   1.55212
   A165       1.68930  -0.00001  -0.00148  -0.00025  -0.00174   1.68757
   A166       2.12209   0.00001   0.00057   0.00026   0.00083   2.12292
   A167       1.82993   0.00001   0.00046   0.00021   0.00067   1.83059
   A168       1.44225   0.00001   0.00062   0.00020   0.00082   1.44307
   A169       1.16518   0.00001   0.00069   0.00020   0.00089   1.16607
   A170       1.84993   0.00001   0.00005   0.00012   0.00017   1.85010
   A171       2.07452   0.00000  -0.00340  -0.00027  -0.00368   2.07084
   A172       2.35643  -0.00001  -0.00307  -0.00032  -0.00339   2.35304
   A173       2.77868  -0.00002  -0.00291  -0.00048  -0.00340   2.77529
   A174       2.15435   0.00000  -0.00194  -0.00008  -0.00202   2.15233
   A175       2.12234   0.00000  -0.00145   0.00010  -0.00134   2.12100
   A176       2.21679   0.00000   0.00087   0.00026   0.00113   2.21792
   A177       2.00456   0.00001   0.00075   0.00024   0.00099   2.00556
   A178       1.59370   0.00001   0.00086   0.00024   0.00110   1.59479
   A179       1.34696   0.00001   0.00095   0.00025   0.00119   1.34815
   A180       2.10704   0.00001   0.00027   0.00016   0.00042   2.10747
   A181       2.00441   0.00000  -0.00269  -0.00025  -0.00295   2.00146
   A182       2.36575  -0.00001  -0.00272  -0.00039  -0.00311   2.36264
   A183       2.69270  -0.00002  -0.00299  -0.00068  -0.00368   2.68903
   A184       2.30629   0.00000  -0.00174  -0.00012  -0.00187   2.30442
   A185       2.35217   0.00000  -0.00132   0.00008  -0.00124   2.35092
   A186       0.68948   0.00000  -0.00008   0.00006  -0.00002   0.68946
   A187       0.97968   0.00000  -0.00015   0.00008  -0.00006   0.97961
   A188       0.69793   0.00000  -0.00003   0.00002  -0.00001   0.69792
   A189       2.05960  -0.00001   0.00206   0.00000   0.00206   2.06165
   A190       1.69627   0.00001   0.00165   0.00014   0.00180   1.69806
   A191       1.34908   0.00001   0.00240   0.00036   0.00276   1.35184
   A192       1.05043   0.00002   0.00191   0.00027   0.00219   1.05262
   A193       1.62150   0.00001   0.00007   0.00000   0.00008   1.62158
   A194       1.40719   0.00002  -0.00038  -0.00005  -0.00042   1.40676
   A195       0.66629   0.00000  -0.00023   0.00001  -0.00022   0.66607
   A196       2.22908  -0.00001   0.00062  -0.00004   0.00057   2.22966
   A197       1.83329   0.00001   0.00083   0.00015   0.00098   1.83427
   A198       1.58591   0.00001   0.00225   0.00043   0.00269   1.58860
   A199       1.27252   0.00002   0.00178   0.00046   0.00225   1.27477
   A200       1.61500   0.00001  -0.00061   0.00001  -0.00060   1.61440
   A201       1.34315   0.00002  -0.00091  -0.00001  -0.00092   1.34223
   A202       0.71079   0.00000  -0.00028  -0.00008  -0.00036   0.71043
   A203       2.62766  -0.00001  -0.00012  -0.00007  -0.00020   2.62746
   A204       2.23410   0.00001   0.00047   0.00014   0.00061   2.23471
   A205       1.99606   0.00001   0.00220   0.00044   0.00265   1.99871
   A206       1.68299   0.00002   0.00173   0.00044   0.00218   1.68517
   A207       1.95579   0.00001  -0.00104   0.00001  -0.00103   1.95476
   A208       1.66697   0.00002  -0.00123   0.00001  -0.00122   1.66575
   A209       0.83518   0.00000  -0.00053  -0.00011  -0.00064   0.83455
   A210       2.70756  -0.00001  -0.00256  -0.00022  -0.00278   2.70478
   A211       2.37541   0.00000  -0.00066   0.00006  -0.00061   2.37480
   A212       2.24060   0.00001   0.00185   0.00043   0.00229   2.24288
   A213       1.92979   0.00003   0.00144   0.00049   0.00194   1.93173
   A214       2.01307   0.00001  -0.00169  -0.00005  -0.00174   2.01133
   A215       1.72741   0.00002  -0.00170   0.00000  -0.00170   1.72570
   A216       1.92759  -0.00001  -0.00047  -0.00002  -0.00050   1.92710
   A217       1.54947   0.00000   0.00024   0.00020   0.00044   1.54991
   A218       1.44374   0.00001   0.00195   0.00048   0.00244   1.44618
   A219       1.15827   0.00003   0.00152   0.00064   0.00216   1.16043
   A220       1.24538   0.00001  -0.00073   0.00009  -0.00064   1.24474
   A221       0.95806   0.00002  -0.00091   0.00009  -0.00082   0.95724
   A222       0.71529  -0.00002   0.00005  -0.00032  -0.00027   0.71502
   A223       1.00930  -0.00002   0.00009  -0.00029  -0.00019   1.00911
   A224       0.70110  -0.00002  -0.00031  -0.00014  -0.00045   0.70065
   A225       0.99070  -0.00003  -0.00013  -0.00017  -0.00030   0.99040
   A226       0.66152   0.00000   0.00016   0.00000   0.00016   0.66169
   A227       0.66843  -0.00002   0.00037  -0.00002   0.00035   0.66878
   A228       0.70922  -0.00001   0.00072   0.00002   0.00074   0.70995
   A229       0.84149  -0.00001   0.00130   0.00007   0.00137   0.84286
   A230       0.78074   0.00001  -0.00009   0.00018   0.00009   0.78082
   A231       0.78832   0.00001   0.00037   0.00028   0.00065   0.78897
   A232       1.65233  -0.00005  -0.00346  -0.00090  -0.00436   1.64797
   A233       1.81264   0.00007   0.00247   0.00059   0.00306   1.81570
   A234       2.19222  -0.00002   0.00004  -0.00010  -0.00006   2.19216
   A235       2.12921   0.00000  -0.00021   0.00007  -0.00013   2.12909
   A236       1.96138   0.00002   0.00016   0.00003   0.00018   1.96156
   A237       2.12103   0.00001   0.00026   0.00013   0.00040   2.12142
   A238       2.12540   0.00001   0.00049   0.00005   0.00054   2.12594
   A239       2.03551  -0.00002  -0.00073  -0.00018  -0.00091   2.03460
   A240       1.77301   0.00008   0.00496   0.00174   0.00670   1.77971
   A241       2.59620  -0.00009  -0.00481  -0.00162  -0.00644   2.58977
   A242       1.91133   0.00002   0.00049  -0.00002   0.00048   1.91182
   A243       1.91594   0.00001   0.00001   0.00017   0.00017   1.91611
   A244       1.92224  -0.00002  -0.00018  -0.00030  -0.00051   1.92173
   A245       1.90843   0.00001   0.00011   0.00008   0.00019   1.90861
   A246       1.90853   0.00001   0.00003   0.00000   0.00003   1.90856
   A247       1.89723  -0.00003  -0.00046   0.00008  -0.00036   1.89686
   A248       1.36418  -0.00002  -0.00125  -0.00089  -0.00214   1.36205
   A249       1.90778   0.00001  -0.00026  -0.00004  -0.00031   1.90747
   A250       1.90813   0.00000   0.00032   0.00005   0.00038   1.90851
   A251       1.92758  -0.00001  -0.00021  -0.00004  -0.00025   1.92732
   A252       1.91051   0.00001   0.00047   0.00000   0.00047   1.91098
   A253       1.89536  -0.00001  -0.00015  -0.00003  -0.00018   1.89518
   A254       1.91436   0.00001  -0.00016   0.00006  -0.00010   1.91426
   A255       1.71684   0.00002   0.00105   0.00038   0.00143   1.71827
   A256       1.78203  -0.00002  -0.00161  -0.00042  -0.00203   1.78001
   A257       2.19011   0.00000   0.00015   0.00004   0.00019   2.19030
   A258       2.13013   0.00000  -0.00008   0.00002  -0.00006   2.13008
   A259       1.96275   0.00000  -0.00008  -0.00006  -0.00014   1.96261
   A260       2.12281   0.00000   0.00015   0.00009   0.00024   2.12305
   A261       2.12435  -0.00001  -0.00009  -0.00003  -0.00013   2.12423
   A262       2.03595   0.00001  -0.00007  -0.00005  -0.00012   2.03583
   A263       1.33268   0.00003   0.00383   0.00108   0.00491   1.33759
   A264       1.89907   0.00001   0.00030   0.00007   0.00037   1.89945
   A265       1.93215   0.00000  -0.00018   0.00004  -0.00014   1.93200
   A266       1.90980   0.00002   0.00032  -0.00020   0.00011   1.90991
   A267       1.89871   0.00000  -0.00031   0.00003  -0.00028   1.89843
   A268       1.91267  -0.00001   0.00010   0.00000   0.00010   1.91276
   A269       1.91130  -0.00001  -0.00023   0.00007  -0.00016   1.91114
   A270       2.64104   0.00001   0.00049   0.00018   0.00067   2.64172
   A271       1.72304   0.00000  -0.00068  -0.00016  -0.00084   1.72220
   A272       1.92382   0.00000  -0.00004  -0.00001  -0.00006   1.92376
   A273       1.91499   0.00001   0.00009   0.00007   0.00016   1.91515
   A274       1.91402   0.00000   0.00010  -0.00002   0.00008   1.91411
   A275       1.89439   0.00000  -0.00022  -0.00001  -0.00023   1.89416
   A276       1.91057   0.00000   0.00005  -0.00004   0.00002   1.91059
   A277       1.90584   0.00000   0.00002   0.00000   0.00003   1.90587
   A278       1.81257   0.00002  -0.00044  -0.00021  -0.00065   1.81192
   A279       1.75487  -0.00001   0.00068  -0.00024   0.00044   1.75531
   A280       2.18926   0.00000   0.00006   0.00014   0.00019   2.18945
   A281       2.13047   0.00000  -0.00007  -0.00009  -0.00016   2.13030
   A282       1.96337   0.00000   0.00002  -0.00005  -0.00003   1.96334
   A283       2.12227   0.00000  -0.00013   0.00006  -0.00007   2.12220
   A284       2.11410   0.00000   0.00039   0.00008   0.00047   2.11458
   A285       2.04322   0.00000  -0.00032  -0.00015  -0.00047   2.04274
   A286       2.69341   0.00001   0.00054   0.00032   0.00087   2.69428
   A287       1.66589  -0.00001  -0.00072  -0.00023  -0.00096   1.66493
   A288       1.92642   0.00000   0.00010  -0.00005   0.00005   1.92647
   A289       1.91456   0.00001  -0.00037   0.00004  -0.00033   1.91423
   A290       1.91240  -0.00001   0.00017  -0.00004   0.00012   1.91252
   A291       1.89103   0.00000  -0.00005   0.00013   0.00008   1.89111
   A292       1.91228   0.00000   0.00018  -0.00005   0.00013   1.91241
   A293       1.90692   0.00000  -0.00003  -0.00003  -0.00006   1.90687
   A294       1.33467   0.00006   0.00438   0.00169   0.00607   1.34074
   A295       1.16277  -0.00002  -0.00290  -0.00101  -0.00391   1.15886
   A296       1.93377   0.00000  -0.00028  -0.00016  -0.00044   1.93333
   A297       1.90633   0.00003   0.00012   0.00011   0.00023   1.90655
   A298       1.90079  -0.00001   0.00028   0.00005   0.00033   1.90112
   A299       1.90933  -0.00003   0.00004   0.00002   0.00006   1.90939
   A300       1.89984   0.00001  -0.00029  -0.00018  -0.00046   1.89937
   A301       1.91371   0.00002   0.00013   0.00015   0.00028   1.91399
   A302       1.73268  -0.00006   0.00389   0.00013   0.00402   1.73670
   A303       1.75080   0.00008  -0.00134   0.00075  -0.00059   1.75021
   A304       2.19368  -0.00002  -0.00042  -0.00001  -0.00043   2.19325
   A305       2.12975  -0.00001   0.00026  -0.00007   0.00016   2.12991
   A306       1.95950   0.00002   0.00016   0.00009   0.00027   1.95977
   A307       2.12548  -0.00002  -0.00055  -0.00039  -0.00094   2.12454
   A308       2.12120   0.00001  -0.00058   0.00010  -0.00050   2.12070
   A309       2.03583   0.00001   0.00130   0.00033   0.00163   2.03746
   A310       1.40334   0.00001  -0.00673   0.00051  -0.00623   1.39711
   A311       2.95183  -0.00001   0.00650  -0.00012   0.00638   2.95821
   A312       1.90798   0.00002  -0.00053   0.00016  -0.00037   1.90760
   A313       1.92897  -0.00002   0.00003  -0.00011  -0.00007   1.92889
   A314       1.90459   0.00006   0.00003   0.00016   0.00019   1.90478
   A315       1.91394   0.00000   0.00064  -0.00034   0.00031   1.91425
   A316       1.91296  -0.00006  -0.00091  -0.00014  -0.00104   1.91192
   A317       1.89529  -0.00001   0.00073   0.00027   0.00099   1.89628
   A318       1.70436  -0.00002  -0.00038   0.00014  -0.00025   1.70411
   A319       1.91382  -0.00002  -0.00082   0.00004  -0.00080   1.91302
   A320       1.91705  -0.00002   0.00069   0.00003   0.00072   1.91777
   A321       1.92355   0.00000   0.00033  -0.00022   0.00012   1.92367
   A322       1.90535  -0.00001  -0.00127   0.00003  -0.00122   1.90412
   A323       1.91099   0.00003   0.00032   0.00006   0.00039   1.91138
   A324       1.89285   0.00002   0.00075   0.00005   0.00080   1.89365
   A325       2.92596   0.00000  -0.00025  -0.00021  -0.00046   2.92550
   A326       3.36307  -0.00003   0.00006  -0.00060  -0.00055   3.36252
   A327       3.08108  -0.00003   0.00001  -0.00063  -0.00062   3.08046
   A328       3.27854  -0.00001  -0.00141  -0.00084  -0.00224   3.27630
   A329       3.24398   0.00001   0.00361   0.00114   0.00475   3.24873
   A330       3.24400   0.00002   0.00442   0.00172   0.00614   3.25013
   A331       3.61536   0.00000  -0.00005   0.00019   0.00014   3.61549
   A332       3.21254   0.00001   0.00000   0.00030   0.00030   3.21284
   A333       3.07206  -0.00002  -0.00251  -0.00044  -0.00295   3.06912
   A334       3.01786  -0.00002  -0.00283  -0.00049  -0.00332   3.01454
   A335       3.23569   0.00001   0.00050   0.00012   0.00062   3.23631
   A336       3.07854   0.00000  -0.00111  -0.00028  -0.00139   3.07715
   A337       3.10708   0.00000  -0.00125  -0.00041  -0.00166   3.10541
   A338       3.03120   0.00001   0.00182  -0.00017   0.00165   3.03285
    D1        2.75311  -0.00001   0.00043  -0.00005   0.00038   2.75349
    D2       -1.35557  -0.00001  -0.00034  -0.00014  -0.00049  -1.35605
    D3        2.75051   0.00001   0.00236   0.00066   0.00302   2.75353
    D4       -1.35817   0.00000   0.00158   0.00057   0.00215  -1.35602
    D5        1.63930  -0.00001   0.00164   0.00025   0.00190   1.64120
    D6       -2.46938  -0.00001   0.00087   0.00016   0.00103  -2.46834
    D7        1.79617   0.00001   0.00240   0.00056   0.00296   1.79913
    D8       -2.31251   0.00001   0.00163   0.00047   0.00209  -2.31042
    D9        0.27656   0.00000   0.00275   0.00038   0.00314   0.27970
   D10        2.45107   0.00000   0.00198   0.00029   0.00227   2.45334
   D11        0.00263   0.00000   0.00242   0.00034   0.00276   0.00538
   D12        2.17713   0.00000   0.00165   0.00024   0.00189   2.17902
   D13       -0.46203  -0.00001   0.00236   0.00036   0.00272  -0.45931
   D14        1.71247  -0.00001   0.00158   0.00027   0.00186   1.71433
   D15       -0.58237  -0.00001   0.00177   0.00014   0.00190  -0.58047
   D16        1.59213  -0.00001   0.00099   0.00005   0.00104   1.59317
   D17        0.18205   0.00000   0.00250   0.00038   0.00289   0.18494
   D18        2.35656   0.00000   0.00173   0.00029   0.00202   2.35858
   D19        0.12785  -0.00001   0.00217   0.00034   0.00251   0.13036
   D20        2.30236  -0.00001   0.00140   0.00025   0.00164   2.30400
   D21        2.32574   0.00000   0.00318   0.00063   0.00382   2.32956
   D22       -1.78294   0.00000   0.00241   0.00054   0.00295  -1.77999
   D23        2.07367   0.00000   0.00336   0.00063   0.00399   2.07766
   D24       -2.03501   0.00000   0.00259   0.00054   0.00313  -2.03188
   D25        1.63595   0.00000   0.00345   0.00062   0.00407   1.64002
   D26       -2.47273   0.00000   0.00267   0.00053   0.00320  -2.46953
   D27        1.32901   0.00001   0.00361   0.00062   0.00423   1.33324
   D28       -2.77967   0.00001   0.00284   0.00053   0.00336  -2.77631
   D29        2.26740   0.00001   0.00325   0.00056   0.00381   2.27121
   D30       -1.84128   0.00000   0.00248   0.00047   0.00295  -1.83833
   D31       -1.89247  -0.00001   0.00575   0.00065   0.00640  -1.88607
   D32        0.28203  -0.00001   0.00498   0.00056   0.00553   0.28757
   D33       -2.21746   0.00001   0.00506   0.00073   0.00580  -2.21166
   D34       -0.04295   0.00000   0.00429   0.00064   0.00493  -0.03802
   D35       -2.60648   0.00001   0.00549   0.00094   0.00644  -2.60004
   D36       -0.43198   0.00001   0.00472   0.00085   0.00557  -0.42640
   D37       -2.89001   0.00001   0.00501   0.00083   0.00583  -2.88418
   D38       -0.71550   0.00001   0.00423   0.00073   0.00497  -0.71054
   D39       -2.19482   0.00000   0.00333   0.00049   0.00382  -2.19100
   D40       -0.02031  -0.00001   0.00256   0.00040   0.00295  -0.01736
   D41       -2.43703   0.00000   0.00211   0.00035   0.00247  -2.43456
   D42       -0.26252   0.00000   0.00134   0.00026   0.00160  -0.26092
   D43        1.30594  -0.00001  -0.00251  -0.00103  -0.00354   1.30239
   D44       -1.97789  -0.00001   0.00041   0.00062   0.00102  -1.97687
   D45        2.47129   0.00001  -0.00102  -0.00062  -0.00164   2.46964
   D46       -0.81254   0.00001   0.00190   0.00103   0.00293  -0.80962
   D47        2.93594   0.00002  -0.00024  -0.00035  -0.00060   2.93535
   D48       -0.34789   0.00002   0.00268   0.00130   0.00397  -0.34392
   D49        2.84478  -0.00001  -0.00019  -0.00073  -0.00093   2.84385
   D50       -0.43906  -0.00001   0.00272   0.00092   0.00364  -0.43542
   D51        2.03737   0.00000   0.00069  -0.00051   0.00018   2.03755
   D52       -1.24646   0.00000   0.00361   0.00114   0.00475  -1.24171
   D53        1.16362   0.00000   0.00119  -0.00022   0.00097   1.16460
   D54       -2.12021   0.00000   0.00411   0.00143   0.00554  -2.11466
   D55        1.03768  -0.00001  -0.00083  -0.00079  -0.00162   1.03606
   D56       -2.24615  -0.00001   0.00209   0.00086   0.00295  -2.24320
   D57        2.02827   0.00000  -0.00012  -0.00059  -0.00072   2.02755
   D58       -1.25556   0.00000   0.00279   0.00106   0.00385  -1.25171
   D59        1.84943   0.00000  -0.00066  -0.00067  -0.00133   1.84810
   D60       -1.43440   0.00000   0.00225   0.00098   0.00323  -1.43117
   D61       -2.30759   0.00000   0.00035  -0.00034   0.00001  -2.30758
   D62        0.69177   0.00000   0.00327   0.00131   0.00458   0.69635
   D63       -2.43367   0.00000  -0.00023  -0.00051  -0.00073  -2.43440
   D64        0.56569   0.00000   0.00269   0.00114   0.00383   0.56952
   D65       -2.83392   0.00000  -0.00030  -0.00054  -0.00084  -2.83476
   D66        0.16543   0.00000   0.00262   0.00111   0.00373   0.16916
   D67       -3.01016   0.00000  -0.00022  -0.00055  -0.00077  -3.01093
   D68       -0.01081   0.00000   0.00270   0.00110   0.00379  -0.00701
   D69       -2.14985   0.00000  -0.00096  -0.00070  -0.00166  -2.15151
   D70        0.84950   0.00000   0.00196   0.00095   0.00291   0.85241
   D71       -0.20452  -0.00001  -0.00010  -0.00059  -0.00069  -0.20521
   D72        2.79483  -0.00001   0.00282   0.00106   0.00388   2.79871
   D73       -0.59969   0.00000   0.00022  -0.00039  -0.00017  -0.59986
   D74        2.39967   0.00000   0.00314   0.00126   0.00440   2.40406
   D75       -0.80951   0.00001   0.00225   0.00000   0.00225  -0.80726
   D76        2.18984   0.00002   0.00517   0.00165   0.00682   2.19666
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   D292       2.03430   0.00000  -0.00105  -0.00043  -0.00148   2.03281
   D293      -2.17655   0.00000  -0.00215  -0.00080  -0.00295  -2.17951
   D294       2.02194  -0.00001  -0.00135  -0.00062  -0.00197   2.01997
   D295      -2.18891  -0.00001  -0.00245  -0.00099  -0.00344  -2.19235
   D296      -2.30833   0.00000  -0.00103  -0.00041  -0.00144  -2.30977
   D297      -0.23599   0.00000  -0.00213  -0.00078  -0.00291  -0.23890
   D298      -2.29684   0.00000  -0.00096  -0.00041  -0.00138  -2.29822
   D299      -0.22451   0.00000  -0.00206  -0.00078  -0.00285  -0.22735
   D300      -1.91401   0.00001  -0.00106  -0.00045  -0.00151  -1.91552
   D301       0.15832   0.00000  -0.00216  -0.00082  -0.00298   0.15535
   D302      -1.86838   0.00001  -0.00013  -0.00012  -0.00025  -1.86863
   D303       0.20395   0.00001  -0.00123  -0.00049  -0.00172   0.20223
   D304      -2.64724   0.00000  -0.00111  -0.00050  -0.00160  -2.64884
   D305      -0.57491   0.00000  -0.00221  -0.00086  -0.00307  -0.57798
   D306      -2.78697   0.00000  -0.00090  -0.00050  -0.00140  -2.78837
   D307      -0.71463  -0.00001  -0.00200  -0.00087  -0.00287  -0.71750
   D308       1.53441   0.00000  -0.00197  -0.00075  -0.00272   1.53169
   D309      -2.67644   0.00000  -0.00307  -0.00112  -0.00419  -2.68063
   D310       2.63240   0.00000  -0.00188  -0.00060  -0.00248   2.62992
   D311      -1.57846   0.00000  -0.00298  -0.00097  -0.00395  -1.58240
   D312       3.01450   0.00000  -0.00161  -0.00051  -0.00211   3.01239
   D313      -1.19635   0.00000  -0.00271  -0.00087  -0.00358  -1.19993
   D314      -0.37841   0.00000  -0.00572  -0.00077  -0.00649  -0.38490
   D315       1.69393   0.00000  -0.00682  -0.00114  -0.00795   1.68597
   D316      -0.25841  -0.00001  -0.00430  -0.00073  -0.00503  -0.26344
   D317       1.81393  -0.00001  -0.00540  -0.00110  -0.00650   1.80743
   D318       0.15749  -0.00001  -0.00338  -0.00074  -0.00412   0.15337
   D319       2.22983  -0.00001  -0.00448  -0.00111  -0.00559   2.22423
   D320       0.29226   0.00001  -0.00326  -0.00046  -0.00373   0.28854
   D321       2.36460   0.00000  -0.00436  -0.00083  -0.00519   2.35940
   D322      -0.54333   0.00000  -0.00327  -0.00060  -0.00387  -0.54721
   D323       1.52900   0.00000  -0.00438  -0.00096  -0.00534   1.52366
   D324      -0.59301   0.00000  -0.00286  -0.00045  -0.00332  -0.59632
   D325       1.47933   0.00000  -0.00396  -0.00082  -0.00479   1.47454
   D326      -0.02120   0.00001   0.00165   0.00034   0.00199  -0.01920
   D327       2.16327   0.00001   0.00277   0.00056   0.00333   2.16659
   D328       0.30886   0.00001   0.00083   0.00026   0.00110   0.30996
   D329       2.49333   0.00001   0.00195   0.00047   0.00243   2.49576
   D330       0.66999   0.00000   0.00084   0.00017   0.00101   0.67100
   D331       2.85445   0.00000   0.00196   0.00038   0.00235   2.85680
   D332       0.95282   0.00000   0.00052   0.00007   0.00059   0.95341
   D333       3.13728   0.00000   0.00164   0.00028   0.00193   3.13921
   D334       0.29880   0.00001  -0.00062   0.00014  -0.00049   0.29831
   D335       2.48326   0.00001   0.00050   0.00035   0.00085   2.48411
   D336       0.66886   0.00003   0.00069   0.00041   0.00111   0.66996
   D337       2.85332   0.00003   0.00181   0.00062   0.00244   2.85576
   D338      -2.42528   0.00000   0.00089   0.00025   0.00114  -2.42414
   D339      -0.24081   0.00000   0.00201   0.00046   0.00248  -0.23834
   D340      -2.03051   0.00000   0.00032   0.00022   0.00055  -2.02997
   D341       0.15395   0.00000   0.00144   0.00044   0.00188   0.15583
   D342      -1.97648   0.00000   0.00090   0.00028   0.00118  -1.97529
   D343       0.20799   0.00000   0.00202   0.00049   0.00252   0.21051
   D344      -1.68332   0.00000   0.00091   0.00015   0.00107  -1.68225
   D345       0.50114   0.00000   0.00203   0.00036   0.00241   0.50355
   D346      -1.64647  -0.00001  -0.00065   0.00019  -0.00045  -1.64692
   D347       0.53799  -0.00001   0.00046   0.00041   0.00088   0.53888
   D348      -1.33406   0.00000  -0.00081   0.00019  -0.00062  -1.33468
   D349       0.85040   0.00000   0.00030   0.00041   0.00072   0.85112
   D350       1.73849   0.00000   0.00268   0.00025   0.00293   1.74142
   D351      -2.36023   0.00000   0.00380   0.00046   0.00426  -2.35597
   D352       2.14508   0.00000   0.00392   0.00035   0.00426   2.14934
   D353      -1.95364   0.00000   0.00503   0.00056   0.00560  -1.94805
   D354       2.32011   0.00000   0.00764   0.00053   0.00816   2.32827
   D355      -1.77861   0.00000   0.00876   0.00074   0.00950  -1.76911
   D356       2.94793  -0.00002   0.00730   0.00049   0.00775   2.95569
   D357      -1.15079  -0.00002   0.00841   0.00070   0.00909  -1.14170
   D358       2.49407  -0.00001   0.00242   0.00026   0.00268   2.49675
   D359      -1.60465  -0.00001   0.00354   0.00048   0.00402  -1.60064
   D360       1.61162  -0.00001  -0.00259  -0.00033  -0.00292   1.60870
   D361      -2.48710  -0.00001  -0.00147  -0.00011  -0.00159  -2.48869
   D362       1.75628  -0.00004  -0.00094  -0.00051  -0.00146   1.75482
   D363      -2.34244  -0.00004   0.00017  -0.00029  -0.00012  -2.34256
   D364       2.73763   0.00000  -0.00119   0.00005  -0.00114   2.73649
   D365      -1.36109   0.00000  -0.00008   0.00027   0.00019  -1.36090
   D366       2.70389   0.00000  -0.00048  -0.00001  -0.00050   2.70340
   D367      -1.39483   0.00000   0.00064   0.00020   0.00084  -1.39399
   D368       0.02471   0.00001   0.00216   0.00078   0.00294   0.02765
   D369      -2.73751   0.00001   0.00324   0.00000   0.00324  -2.73427
   D370       0.42120   0.00000   0.00233   0.00082   0.00315   0.42435
   D371      -2.34102   0.00000   0.00341   0.00004   0.00345  -2.33758
   D372       0.60278   0.00001   0.00350   0.00106   0.00456   0.60734
   D373      -2.15944   0.00001   0.00458   0.00028   0.00486  -2.15458
   D374       0.88005   0.00000   0.00254   0.00073   0.00328   0.88333
   D375      -1.88217   0.00000   0.00362  -0.00004   0.00357  -1.87860
   D376       0.69747   0.00000   0.00125   0.00062   0.00186   0.69933
   D377      -2.06476   0.00000   0.00232  -0.00016   0.00216  -2.06259
   D378       1.02670   0.00000   0.00159   0.00068   0.00227   1.02897
   D379      -1.73553   0.00000   0.00267  -0.00010   0.00257  -1.73296
   D380      -2.85296   0.00002   0.00451   0.00133   0.00585  -2.84711
   D381       0.66800   0.00002   0.00559   0.00055   0.00614   0.67415
   D382      -2.29799   0.00002   0.00429   0.00146   0.00575  -2.29225
   D383       1.22297   0.00002   0.00537   0.00068   0.00604   1.22901
   D384      -2.00489   0.00001   0.00247   0.00104   0.00351  -2.00139
   D385       1.51607   0.00000   0.00355   0.00026   0.00380   1.51987
   D386      -1.65472   0.00000   0.00143   0.00077   0.00220  -1.65252
   D387       1.86624   0.00000   0.00251  -0.00001   0.00250   1.86874
   D388      -1.78094   0.00001   0.00386   0.00184   0.00568  -1.77525
   D389       1.74002   0.00001   0.00494   0.00106   0.00598   1.74601
   D390      -1.07088  -0.00001  -0.00104   0.00077  -0.00026  -1.07114
   D391       2.45008  -0.00001   0.00003  -0.00001   0.00004   2.45012
   D392       1.76627  -0.00001   0.00176   0.00068   0.00244   1.76871
   D393      -0.99596  -0.00001   0.00284  -0.00010   0.00274  -0.99322
   D394       2.06553  -0.00001   0.00183   0.00069   0.00252   2.06805
   D395      -0.69670  -0.00001   0.00291  -0.00009   0.00282  -0.69387
   D396       2.01030   0.00000   0.00211   0.00067   0.00279   2.01309
   D397      -0.75192  -0.00001   0.00319  -0.00011   0.00309  -0.74883
   D398       2.20039   0.00000   0.00291   0.00079   0.00370   2.20409
   D399      -0.56183   0.00000   0.00398   0.00001   0.00400  -0.55783
   D400       2.46914  -0.00001   0.00151   0.00063   0.00214   2.47129
   D401      -0.29308  -0.00001   0.00258  -0.00014   0.00244  -0.29064
   D402      -1.49009  -0.00002  -0.00281   0.00017  -0.00264  -1.49273
   D403       2.03087  -0.00002  -0.00173  -0.00061  -0.00234   2.02853
   D404      -2.59659   0.00000  -0.00175   0.00020  -0.00156  -2.59815
   D405       0.92437  -0.00001  -0.00067  -0.00058  -0.00126   0.92311
   D406      -2.96860   0.00000  -0.00114   0.00028  -0.00086  -2.96946
   D407       0.55236   0.00000  -0.00006  -0.00050  -0.00056   0.55180
   D408       1.83294   0.00001   0.00351   0.00056   0.00408   1.83702
   D409       2.33313   0.00000   0.00409   0.00055   0.00464   2.33777
   D410       2.55134   0.00000   0.00435   0.00062   0.00497   2.55631
   D411       2.79148   0.00000   0.00332   0.00024   0.00356   2.79504
   D412       2.77321   0.00000   0.00539   0.00058   0.00596   2.77918
   D413      -3.02774  -0.00001   0.00562   0.00051   0.00613  -3.02162
   D414      -0.83197   0.00000   0.00338   0.00057   0.00395  -0.82803
   D415      -0.45611   0.00001   0.00330   0.00060   0.00390  -0.45221
   D416      -0.13797   0.00000   0.00350   0.00057   0.00408  -0.13389
   D417       0.16917   0.00001   0.00344   0.00060   0.00404   0.17322
   D418      -0.33241   0.00001   0.00284   0.00064   0.00349  -0.32892
   D419      -0.02289   0.00002   0.00240   0.00070   0.00310  -0.01979
   D420      -2.62666  -0.00001   0.00325   0.00034   0.00360  -2.62306
   D421      -2.24646  -0.00001   0.00325   0.00041   0.00366  -2.24280
   D422      -2.00518  -0.00001   0.00369   0.00041   0.00411  -2.00107
   D423      -1.69111   0.00000   0.00361   0.00045   0.00406  -1.68705
   D424      -2.02921  -0.00001   0.00273   0.00042   0.00316  -2.02605
   D425       1.35319   0.00000  -0.00073   0.00021  -0.00053   1.35267
   D426       2.49424  -0.00001  -0.00096  -0.00025  -0.00122   2.49302
   D427       2.94686  -0.00003  -0.00013  -0.00039  -0.00053   2.94634
   D428      -3.06831   0.00002   0.00057  -0.00007   0.00050  -3.06781
   D429       0.01776   0.00003   0.00105   0.00000   0.00105   0.01880
   D430       0.04416   0.00003   0.00039  -0.00014   0.00024   0.04440
   D431       3.13023   0.00004   0.00086  -0.00008   0.00079   3.13102
   D432      -0.04951  -0.00004  -0.00454  -0.00162  -0.00616  -0.05567
   D433       2.04588  -0.00002  -0.00410  -0.00143  -0.00553   2.04035
   D434      -2.14893  -0.00006  -0.00478  -0.00141  -0.00619  -2.15512
   D435      -3.13831  -0.00006  -0.00503  -0.00169  -0.00672   3.13816
   D436      -1.04292  -0.00003  -0.00458  -0.00150  -0.00609  -1.04901
   D437       1.04545  -0.00007  -0.00527  -0.00149  -0.00675   1.03871
   D438      -2.33994  -0.00003   0.00096  -0.00006   0.00090  -2.33904
   D439      -0.24895  -0.00001   0.00156  -0.00006   0.00151  -0.24744
   D440       1.85899  -0.00001   0.00144   0.00002   0.00146   1.86045
   D441       0.74871  -0.00002   0.00144   0.00001   0.00145   0.75017
   D442       2.83970   0.00000   0.00205   0.00002   0.00206   2.84176
   D443      -1.33554   0.00000   0.00192   0.00010   0.00202  -1.33352
   D444      -0.01007   0.00002   0.00097   0.00019   0.00116  -0.00891
   D445       3.11787   0.00002   0.00019   0.00016   0.00034   3.11821
   D446      -3.13103   0.00002   0.00119   0.00010   0.00129  -3.12974
   D447      -0.00310   0.00002   0.00041   0.00006   0.00047  -0.00262
   D448       2.44905  -0.00001  -0.00364  -0.00123  -0.00486   2.44418
   D449      -1.74843  -0.00001  -0.00393  -0.00113  -0.00506  -1.75349
   D450       0.35968  -0.00002  -0.00413  -0.00115  -0.00527   0.35441
   D451      -0.67955  -0.00001  -0.00289  -0.00119  -0.00408  -0.68363
   D452       1.40616  -0.00001  -0.00319  -0.00109  -0.00428   1.40188
   D453      -2.76891  -0.00002  -0.00338  -0.00111  -0.00449  -2.77340
   D454       2.06907  -0.00001   0.00048   0.00009   0.00058   2.06965
   D455      -2.12886  -0.00001   0.00024   0.00012   0.00036  -2.12850
   D456      -0.03558   0.00000   0.00038   0.00016   0.00054  -0.03504
   D457      -1.08553  -0.00001  -0.00026   0.00006  -0.00020  -1.08574
   D458       0.99972  -0.00001  -0.00051   0.00009  -0.00042   0.99930
   D459       3.09300   0.00000  -0.00037   0.00013  -0.00024   3.09276
   D460      -3.07664   0.00001  -0.00036  -0.00032  -0.00068  -3.07732
   D461      -0.02871   0.00000  -0.00122  -0.00044  -0.00166  -0.03038
   D462       0.07901   0.00000  -0.00088   0.00004  -0.00084   0.07817
   D463       3.12694   0.00000  -0.00174  -0.00008  -0.00182   3.12511
   D464       1.92716  -0.00001  -0.00034  -0.00008  -0.00041   1.92675
   D465      -2.27356   0.00000  -0.00057   0.00008  -0.00049  -2.27406
   D466      -0.18022  -0.00001  -0.00073   0.00004  -0.00069  -0.18091
   D467      -1.12440  -0.00001   0.00046   0.00003   0.00048  -1.12392
   D468       0.95806   0.00000   0.00022   0.00018   0.00040   0.95846
   D469       3.05141   0.00000   0.00006   0.00014   0.00020   3.05161
   D470      -1.61113  -0.00001  -0.00468  -0.00195  -0.00664  -1.61777
   D471       0.49331  -0.00004  -0.00474  -0.00195  -0.00669   0.48662
   D472       2.58290  -0.00001  -0.00433  -0.00168  -0.00601   2.57689
   D473       1.44088  -0.00002  -0.00550  -0.00206  -0.00756   1.43332
   D474      -2.73787  -0.00004  -0.00555  -0.00205  -0.00761  -2.74548
   D475      -0.64828  -0.00002  -0.00515  -0.00178  -0.00693  -0.65520
   D476      -0.00176   0.00006  -0.00178   0.00128  -0.00051  -0.00227
   D477      -3.10250   0.00003  -0.00697   0.00018  -0.00678  -3.10928
   D478       3.11579   0.00007  -0.00188   0.00130  -0.00060   3.11519
   D479       0.01505   0.00005  -0.00707   0.00020  -0.00687   0.00818
   D480      -0.28009   0.00000  -0.01106  -0.00086  -0.01191  -0.29201
   D481       1.82810   0.00000  -0.01058  -0.00124  -0.01182   1.81628
   D482      -2.37205   0.00002  -0.00965  -0.00088  -0.01053  -2.38258
   D483       2.82254   0.00002  -0.00615   0.00019  -0.00597   2.81657
   D484      -1.35245   0.00003  -0.00568  -0.00020  -0.00587  -1.35832
   D485       0.73058   0.00005  -0.00474   0.00016  -0.00458   0.72600
   D486       0.01488   0.00005   0.00587   0.00081   0.00668   0.02157
   D487       2.10871   0.00001   0.00423   0.00090   0.00513   2.11384
   D488      -2.08999   0.00003   0.00579   0.00085   0.00664  -2.08335
   D489      -3.08785   0.00003   0.00099  -0.00022   0.00076  -3.08709
   D490      -0.99403  -0.00002  -0.00066  -0.00013  -0.00079  -0.99482
   D491       1.09046   0.00000   0.00090  -0.00018   0.00072   1.09118
         Item               Value     Threshold  Converged?
 Maximum Force            0.000091     0.000450     YES
 RMS     Force            0.000016     0.000300     YES
 Maximum Displacement     0.028258     0.001800     NO 
 RMS     Displacement     0.003490     0.001200     NO 
 Predicted change in Energy=-3.028038D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:13:59 2016, MaxMem=  2952790016 cpu:         4.7
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.867726   -0.602580    1.686709
      2          6           0       -2.131687    1.017950   -1.409147
      3          8           0       -2.611231    0.031306   -1.993179
      4          7           0       -0.857670    1.119168   -0.939558
      5          1           0       -2.735816    1.921093   -1.189149
      6          6           0       -0.411222    2.289535   -0.183048
      7          1           0       -1.224584    3.026530   -0.132391
      8          1           0       -0.127720    1.987662    0.838252
      9          1           0        0.464847    2.745471   -0.672455
     10          6           0        0.114482    0.036712   -1.105812
     11          1           0        0.637059   -0.132724   -0.151360
     12          1           0       -0.409862   -0.880440   -1.404161
     13          1           0        0.860580    0.303917   -1.872341
     14          6           0       -1.979722   -4.033175    2.626952
     15          8           0       -2.140078   -3.882143    3.850161
     16          7           0       -2.896709   -3.734512    1.667123
     17          1           0       -1.032416   -4.419416    2.201517
     18          6           0       -4.215970   -3.194674    2.005894
     19          1           0       -4.480958   -2.416997    1.272269
     20          1           0       -4.981464   -3.987879    1.974377
     21          1           0       -4.183806   -2.756160    3.011878
     22          6           0       -2.608945   -3.919254    0.244632
     23          1           0       -3.309170   -4.648891   -0.194187
     24          1           0       -2.724509   -2.959677   -0.286232
     25          1           0       -1.578341   -4.279654    0.119472
     26          6           0        1.533022    0.368375    2.615374
     27          8           0        1.371861    1.386345    3.309625
     28          7           0        1.143765   -0.889877    2.957404
     29          1           0        2.013010    0.407009    1.617611
     30          6           0        1.446736   -2.043015    2.109467
     31          1           0        2.194562   -2.691668    2.596037
     32          1           0        0.531120   -2.632714    1.944288
     33          1           0        1.834091   -1.696617    1.141590
     34          6           0        0.505925   -1.161515    4.248296
     35          1           0        1.257042   -1.452703    5.002342
     36          1           0       -0.021202   -0.260885    4.587768
     37          1           0       -0.211350   -1.985781    4.125255
     38          6           0       -4.548073    1.356230    2.896219
     39          8           0       -4.770455    2.045425    1.886648
     40          7           0       -3.450910    1.451761    3.696614
     41          1           0       -5.242531    0.557977    3.228124
     42          6           0       -2.382413    2.417597    3.427345
     43          1           0       -2.470195    2.776875    2.394063
     44          1           0       -2.447546    3.270265    4.123811
     45          1           0       -1.407500    1.924780    3.564373
     46          6           0       -3.261999    0.563877    4.844626
     47          1           0       -4.100122   -0.144563    4.904830
     48          1           0       -2.320649    0.000447    4.732066
     49          1           0       -3.208783    1.151337    5.775906
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.504300   0.000000
     3  O    3.807386   1.242788   0.000000
     4  N    3.298773   1.361572   2.317010   0.000000
     5  H    3.923400   1.108620   2.057494   2.057380   0.000000
     6  C    3.739215   2.465816   3.635411   1.463346   2.559634
     7  H    4.110134   2.547025   3.789022   2.103372   2.150011
     8  H    3.233706   3.163388   4.244073   2.108961   3.304081
     9  H    4.713385   3.204533   4.309670   2.113116   3.345268
    10  C    3.483678   2.469841   2.866524   1.464388   3.417900
    11  H    3.142167   3.251467   3.737726   2.103023   4.083070
    12  H    3.428710   2.562927   2.454434   2.101148   3.647586
    13  H    4.575175   3.110957   3.484593   2.118278   4.002009
    14  C    3.558874   6.467385   6.185825   6.365975   7.112498
    15  O    3.938303   7.188276   7.048524   7.042662   7.708897
    16  N    3.296693   5.712670   5.259344   5.874579   6.337985
    17  H    3.940940   6.618931   6.316412   6.369678   7.389198
    18  C    3.512133   5.809728   5.382817   6.209919   6.210493
    19  H    3.208247   4.950549   4.489234   5.524930   5.284234
    20  H    4.608510   6.680404   6.124816   7.181826   7.068719
    21  H    3.429024   6.164459   5.940838   6.457181   6.451511
    22  C    3.691790   5.228647   4.540345   5.463970   6.015105
    23  H    4.689154   5.914025   5.062385   6.311572   6.669586
    24  H    3.191000   4.175392   3.445648   4.533090   4.963599
    25  H    4.007599   5.541433   4.910655   5.548711   6.442166
    26  C    3.656537   5.481680   6.207029   4.349326   5.925227
    27  O    4.133353   5.888750   6.769113   4.806012   6.115385
    28  N    3.281202   5.782315   6.281469   4.819576   6.336135
    29  H    4.010506   5.168465   5.878993   3.909870   5.720289
    30  C    3.638576   5.878373   6.132016   4.960468   6.639937
    31  H    4.657612   6.965572   7.181305   6.028185   7.740402
    32  H    3.153134   5.627026   5.698686   4.931726   6.420939
    33  H    3.898400   5.440821   5.707310   4.416492   6.277279
    34  C    3.536715   6.611636   7.077817   5.828785   7.041106
    35  H    4.634685   7.661253   8.130383   6.811218   8.103084
    36  H    3.455799   6.484794   7.078311   5.758086   6.745585
    37  H    3.256276   6.583290   6.874832   5.975849   7.062541
    38  C    3.533287   4.948690   5.423375   5.328082   4.504839
    39  O    3.934177   4.345235   4.875652   4.914802   3.689951
    40  N    3.281236   5.291251   5.924230   5.322556   4.960072
    41  H    3.887436   5.602964   5.870530   6.075484   5.258707
    42  C    3.523661   5.041184   5.926958   4.804227   4.656547
    43  H    3.504859   4.203905   5.177445   4.057248   3.693552
    44  H    4.612439   5.982166   6.923526   5.726485   5.489163
    45  H    3.181978   5.107122   5.993380   4.608331   4.935626
    46  C    3.643770   6.371301   6.889319   6.288555   6.206879
    47  H    3.943308   6.715094   7.059056   6.802013   6.577602
    48  H    3.137352   6.227802   6.731591   5.963150   6.238752
    49  H    4.647170   7.266561   7.872117   7.115210   7.023404
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098766   0.000000
     8  H    1.102068   1.795691   0.000000
     9  H    1.102222   1.795784   1.790990   0.000000
    10  C    2.490596   3.417552   2.764824   2.765490   0.000000
    11  H    2.639552   3.667010   2.461759   2.930052   1.101260
    12  H    3.397037   4.188745   3.651579   3.801019   1.097778
    13  H    2.900667   3.845512   3.340516   2.749095   1.102555
    14  C    7.094573   7.617326   6.548271   7.925406   5.906200
    15  O    7.572670   8.026744   6.897521   8.435933   6.708363
    16  N    6.774210   7.193465   6.410742   7.665760   5.565840
    17  H    7.147171   7.805522   6.612686   7.863658   5.666646
    18  C    7.024537   7.226619   6.703266   8.023025   6.235172
    19  H    6.390004   6.496847   6.208065   7.409050   5.726606
    20  H    8.059003   8.231315   7.781819   9.055718   7.187041
    21  H    7.063921   7.216850   6.609110   8.090255   6.575011
    22  C    6.600148   7.092427   6.434324   7.396473   4.989030
    23  H    7.519308   7.953704   7.431783   8.315560   5.874294
    24  H    5.737262   6.173178   5.699469   6.547510   4.208317
    25  H    6.678917   7.319078   6.473036   7.358951   4.795621
    26  C    3.911791   4.713852   2.922040   4.195403   3.996184
    27  O    4.024165   4.612939   2.952628   4.304284   4.785248
    28  N    4.731710   5.522151   3.793114   5.181946   4.292751
    29  H    3.558536   4.517346   2.772831   3.620720   3.340444
    30  C    5.242006   6.153224   4.510129   5.624304   4.054403
    31  H    6.271029   7.199491   5.511709   6.575518   5.047224
    32  H    5.444456   6.278705   4.796380   5.981355   4.074620
    33  H    4.762930   5.769458   4.185049   4.989763   3.318479
    34  C    5.691021   6.302762   4.684787   6.283313   5.500496
    35  H    6.608761   7.251722   5.576139   7.103207   6.390097
    36  H    5.423785   5.876659   4.373349   6.078187   5.702966
    37  H    6.072870   6.654131   5.157484   6.772002   5.617892
    38  C    5.240848   4.796661   4.916651   6.308311   6.284648
    39  O    4.831785   4.196699   4.759986   5.869196   6.070614
    40  N    4.999335   4.700820   4.415996   6.007962   6.146355
    41  H    6.162462   5.790571   5.823811   7.250780   6.910304
    42  C    4.115451   3.792505   3.460042   5.002275   5.696719
    43  H    3.334423   2.827869   2.920718   4.244878   5.141807
    44  H    4.863896   4.435121   4.221559   5.635744   6.660992
    45  H    3.894712   3.861784   3.012230   4.704246   5.262305
    46  C    6.031777   5.914932   5.282225   7.006206   6.861941
    47  H    6.739387   6.610458   6.071526   7.765137   7.343267
    48  H    5.748407   5.832793   4.890782   6.671056   6.325503
    49  H    6.680642   6.508561   5.879865   7.590664   7.722986
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795727   0.000000
    13  H    1.789523   1.798865   0.000000
    14  C    5.457114   5.352950   6.864498   0.000000
    15  O    6.146772   6.293788   7.698966   1.242885   0.000000
    16  N    5.363514   4.874723   6.553925   1.360638   2.315154
    17  H    5.167098   5.090465   6.518406   1.107956   2.057573
    18  C    6.130349   5.609867   7.283694   2.467712   2.860640
    19  H    5.782623   5.108631   6.769340   3.271602   3.777817
    20  H    7.137842   6.478444   8.206475   3.072191   3.406349
    21  H    6.334764   6.104291   7.659340   2.576222   2.479391
    22  C    5.003115   4.097423   5.861258   2.466647   3.636076
    23  H    5.997527   4.906246   6.688297   3.178894   4.279186
    24  H    4.394315   3.306144   5.100946   3.192765   4.278112
    25  H    4.709393   3.904031   5.561005   2.551336   3.793627
    26  C    2.951045   4.635839   4.538273   5.631444   5.751806
    27  O    3.850445   5.525634   5.318443   6.408616   6.354752
    28  N    3.239513   4.630021   4.983149   4.443613   4.531478
    29  H    2.305171   4.081537   3.676750   6.056065   6.374108
    30  C    3.068571   4.140546   4.659020   3.996142   4.390631
    31  H    4.064751   5.105404   5.542512   4.384661   4.666815
    32  H    3.263880   3.894614   4.826903   2.954938   3.511229
    33  H    2.355922   3.490318   3.746150   4.712853   5.282698
    34  C    4.520242   5.733057   6.303608   4.129604   3.815974
    35  H    5.356059   6.644496   7.106628   4.772626   4.332450
    36  H    4.786342   6.036399   6.544429   4.680895   4.259955
    37  H    4.737411   5.642307   6.508680   3.092551   2.718797
    38  C    6.195992   6.373441   7.286978   5.976171   5.843715
    39  O    6.175680   6.197168   6.990809   6.729460   6.775717
    40  N    5.833438   6.380050   7.135808   5.778676   5.494760
    41  H    6.816712   6.847028   7.957842   5.664451   5.452230
    42  C    5.331837   6.173448   6.562875   6.512699   6.318561
    43  H    4.959836   5.661045   5.950781   6.831661   6.824347
    44  H    6.274728   7.206871   7.463026   7.469919   7.164242
    45  H    4.713833   5.792312   6.109766   6.058336   5.859924
    46  C    6.375562   7.019122   7.885486   5.262623   4.691989
    47  H    6.928643   7.345945   8.410693   4.980575   4.350127
    48  H    5.710834   6.486937   7.336927   4.562657   3.985582
    49  H    7.181351   7.969657   8.704798   6.189157   5.494228
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056760   0.000000
    18  C    1.465141   3.416618   0.000000
    19  H    2.097999   4.094585   1.101456   0.000000
    20  H    2.122452   3.979045   1.102791   1.791964   0.000000
    21  H    2.102892   3.654362   1.097877   1.797100   1.797164
    22  C    1.463017   2.562226   2.491904   2.610986   2.936933
    23  H    2.114401   3.312955   2.788797   2.916322   2.817122
    24  H    2.108463   3.344086   2.744725   2.410091   3.355800
    25  H    2.104875   2.156961   3.419481   3.636429   3.886779
    26  C    6.111905   5.447540   6.791001   6.762410   7.862974
    27  O    6.865980   6.380856   7.342296   7.271295   8.427925
    28  N    5.107074   4.214828   5.911363   6.067066   6.934146
    29  H    6.423395   5.736719   7.205767   7.089845   8.268313
    30  C    4.682131   3.435396   5.779557   5.998193   6.717328
    31  H    5.279341   3.681595   6.457259   6.811048   7.318604
    32  H    3.611204   2.388120   4.780634   5.061529   5.676792
    33  H    5.177806   4.093158   6.292411   6.357348   7.238453
    34  C    4.986049   4.143635   5.608778   5.941546   6.578029
    35  H    5.795169   4.678421   6.478196   6.911436   7.383403
    36  H    5.372596   4.900013   5.733173   5.960770   6.732347
    37  H    4.038765   3.208971   4.689359   5.153157   5.602558
    38  C    5.491205   6.797099   4.649054   4.108402   5.440324
    39  O    6.080032   7.474373   5.270703   4.513810   6.037631
    40  N    5.596731   6.523431   5.003320   4.680357   5.907485
    41  H    5.134692   6.599502   4.077997   3.640856   4.722800
    42  C    6.419605   7.076008   6.072894   5.693992   7.063731
    43  H    6.565708   7.341041   6.233603   5.681364   7.228036
    44  H    7.436664   8.051646   7.029106   6.679147   7.982573
    45  H    6.151820   6.499761   6.043606   5.792315   7.089488
    46  C    5.357808   6.065499   4.805744   4.809700   5.649192
    47  H    4.981835   5.915496   4.209564   4.301685   4.912779
    48  H    4.865761   5.253419   4.607934   4.741431   5.530961
    49  H    6.391479   6.967504   5.840824   5.885081   6.633668
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389782   0.000000
    23  H    3.824431   1.102383   0.000000
    24  H    3.612269   1.102705   1.789900   0.000000
    25  H    4.180370   1.098953   1.797356   1.794613   0.000000
    26  C    6.527025   6.415612   7.517541   6.133663   6.124891
    27  O    6.936457   7.306872   8.403145   6.971252   7.140331
    28  N    5.645263   5.533452   6.625054   5.456078   5.191754
    29  H    7.095784   6.477970   7.561108   6.115823   6.091555
    30  C    5.746818   4.842152   5.892034   4.896829   4.256023
    31  H    6.392234   5.487235   6.473572   5.707588   4.784336
    32  H    4.835857   3.795264   4.835895   3.959956   3.239166
    33  H    6.390281   5.048289   6.078928   4.941137   4.400170
    34  C    5.105408   5.773808   6.815600   5.850729   5.578005
    35  H    5.938330   6.607990   7.620356   6.789163   6.314544
    36  H    5.102656   6.240425   7.275468   6.192514   6.208128
    37  H    4.196843   4.954393   5.945269   5.169687   4.814231
    38  C    4.130112   6.214649   6.866366   5.663960   6.949304
    39  O    4.966440   6.553300   7.160943   5.827380   7.301995
    40  N    4.325806   6.439945   7.237153   5.987613   7.010819
    41  H    3.485852   5.990208   6.523923   5.573600   6.818554
    42  C    5.494123   7.094833   7.994350   6.543910   7.512771
    43  H    5.825172   7.034021   7.908535   6.336931   7.467514
    44  H    6.369364   8.170879   9.060935   7.637890   8.590200
    45  H    5.470313   6.827656   7.807450   6.357641   7.098700
    46  C    3.902735   6.456384   7.250160   6.247402   6.972918
    47  H    3.226563   6.179753   6.849420   6.063358   6.808672
    48  H    3.745568   5.965252   6.845545   5.840269   6.336111
    49  H    4.884573   7.527661   8.324346   7.340604   8.009322
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242667   0.000000
    28  N    1.360773   2.314579   0.000000
    29  H    1.107887   2.057446   2.057316   0.000000
    30  C    2.465398   3.634075   1.463050   2.562266   0.000000
    31  H    3.130794   4.220929   2.116887   3.254548   1.103061
    32  H    3.234300   4.327104   2.106945   3.397445   1.101536
    33  H    2.554775   3.797195   2.103464   2.164221   1.098554
    34  C    2.462099   2.850008   1.465275   3.413515   2.497350
    35  H    3.014980   3.307366   2.124000   3.935279   2.958577
    36  H    2.588806   2.507517   2.100206   3.661412   3.387153
    37  H    3.296154   3.813535   2.097909   4.118435   2.610733
    38  C    6.167208   5.934427   6.119294   6.751568   6.936251
    39  O    6.563335   6.339346   6.688836   6.983709   7.444358
    40  N    5.213673   4.838715   5.209678   5.938703   6.222494
    41  H    6.805846   6.666560   6.553956   7.433668   7.263804
    42  C    4.493244   3.895114   4.857382   5.161138   6.024636
    43  H    4.677136   4.187269   5.179105   5.130134   6.217289
    44  H    5.151822   4.335887   5.618256   5.863091   6.888683
    45  H    3.459721   2.842474   3.847033   4.218223   5.099688
    46  C    5.291504   4.950287   5.008569   6.185787   6.037315
    47  H    6.102216   5.901776   5.643254   6.962790   6.495061
    48  H    4.412090   4.192694   3.993027   5.352170   5.024634
    49  H    5.752105   5.207693   5.572717   6.716589   6.732051
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787537   0.000000
    33  H    1.798744   1.793971   0.000000
    34  C    2.814751   2.733773   3.420816   0.000000
    35  H    2.864312   3.357243   3.911251   1.103427   0.000000
    36  H    3.845167   3.594248   4.168883   1.097378   1.796165
    37  H    2.936869   2.392990   3.629009   1.099562   1.791544
    38  C    7.870115   6.528097   7.289075   5.806035   6.784188
    39  O    8.453091   7.070715   7.627452   6.610752   7.633817
    40  N    7.088768   5.967424   6.661207   4.773899   5.683805
    41  H    8.140643   6.720401   7.714622   6.086226   7.031012
    42  C    6.909729   6.016126   6.319046   4.671884   5.541251
    43  H    7.190668   6.202728   6.333064   5.273176   6.211661
    44  H    7.708950   6.961891   7.203886   5.327210   6.066482
    45  H    5.934991   5.210919   5.430682   3.695154   4.535959
    46  C    6.740088   5.746121   6.692716   4.186865   4.951080
    47  H    7.172260   6.033582   7.196231   4.762447   5.515428
    48  H    5.674260   4.778894   5.747470   3.094141   3.870990
    49  H    7.353665   6.556463   7.417432   4.634860   5.227142
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795924   0.000000
    38  C    5.095974   5.611304   0.000000
    39  O    5.930474   6.484399   1.242448   0.000000
    40  N    3.935760   4.742908   1.361442   2.317243   0.000000
    41  H    5.457237   5.708619   1.108892   2.057891   2.056268
    42  C    3.754485   4.958864   2.469550   2.866183   1.465275
    43  H    4.476370   5.548180   2.566704   2.466513   2.101040
    44  H    4.309457   5.711969   3.095598   3.449789   2.120423
    45  H    2.783216   4.127694   3.260809   3.760158   2.101609
    46  C    3.353948   4.040385   2.465381   3.635941   1.463543
    47  H    4.092878   4.372684   2.547069   3.788776   2.104641
    48  H    2.318744   2.960146   3.189028   4.275499   2.110915
    49  H    3.683302   4.642279   3.182495   4.285387   2.114789
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417331   0.000000
    43  H    3.647604   1.097478   0.000000
    44  H    3.996337   1.102883   1.798881   0.000000
    45  H    4.085178   1.100954   1.795831   1.790250   0.000000
    46  C    2.556487   2.493719   3.395522   2.916752   2.632541
    47  H    2.147092   3.420256   4.182752   3.873249   3.650921
    48  H    3.333178   2.747494   3.632791   3.328331   2.429075
    49  H    3.313518   2.793213   3.824231   2.792625   2.955285
                   46         47         48         49
    46  C    0.000000
    47  H    1.099074   0.000000
    48  H    1.102843   1.793712   0.000000
    49  H    1.102371   1.797947   1.789674   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2134350      0.1911077      0.1858817
 Leave Link  202 at Mon Nov 14 01:13:59 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.8170667430 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1845470104 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.6325197327 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4050
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.85D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     227
 GePol: Fraction of low-weight points (<1% of avg)   =       5.60%
 GePol: Cavity surface area                          =    465.920 Ang**2
 GePol: Cavity volume                                =    458.217 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039840214 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.6285357112 Hartrees.
 Leave Link  301 at Mon Nov 14 01:13:59 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11975 LenP2D=   37516.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:14:01 2016, MaxMem=  2952790016 cpu:        14.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:14:01 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001331    0.002047    0.000674
         Rot=    1.000000   -0.000116   -0.000062   -0.000131 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50893439967    
 Leave Link  401 at Mon Nov 14 01:14:08 2016, MaxMem=  2952790016 cpu:        79.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49207500.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   3680.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.77D-15 for   2060    475.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   1821.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.22D-10 for   2110   2044.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.77D-15 for   2007.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.32D-14 for   1353     25.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.22D-15 for   3761.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.87D-16 for   2348    171.
 E= -1013.45102870262    
 DIIS: error= 2.28D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45102870262     IErMin= 1 ErrMin= 2.28D-04
 ErrMax= 2.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.10D-05 BMatP= 8.10D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.28D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.06D-05 MaxDP=1.83D-03              OVMax= 2.36D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.05D-05    CP:  1.00D+00
 E= -1013.45116406854     Delta-E=       -0.000135365913 Rises=F Damp=F
 DIIS: error= 5.47D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45116406854     IErMin= 2 ErrMin= 5.47D-05
 ErrMax= 5.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-06 BMatP= 8.10D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.281D-01 0.972D+00
 Coeff:      0.281D-01 0.972D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.20D-05 MaxDP=7.33D-04 DE=-1.35D-04 OVMax= 1.24D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.17D-05    CP:  1.00D+00  9.55D-01
 E= -1013.45115679485     Delta-E=        0.000007273682 Rises=F Damp=F
 DIIS: error= 1.56D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45116406854     IErMin= 2 ErrMin= 5.47D-05
 ErrMax= 1.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-05 BMatP= 1.98D-06
 IDIUse=3 WtCom= 4.44D-01 WtEn= 5.56D-01
 Coeff-Com:  0.258D-02 0.710D+00 0.287D+00
 Coeff-En:   0.000D+00 0.791D+00 0.209D+00
 Coeff:      0.114D-02 0.755D+00 0.244D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.50D-06 MaxDP=5.33D-04 DE= 7.27D-06 OVMax= 9.21D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.04D-06    CP:  1.00D+00  9.72D-01  4.21D-01
 E= -1013.45116571382     Delta-E=       -0.000008918968 Rises=F Damp=F
 DIIS: error= 9.68D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45116571382     IErMin= 4 ErrMin= 9.68D-06
 ErrMax= 9.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-07 BMatP= 1.98D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.431D-04 0.261D+00 0.634D-01 0.675D+00
 Coeff:     -0.431D-04 0.261D+00 0.634D-01 0.675D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.49D-06 MaxDP=7.45D-05 DE=-8.92D-06 OVMax= 5.74D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.40D-07    CP:  1.00D+00  9.77D-01  3.43D-01  7.07D-01
 E= -1013.45116579741     Delta-E=       -0.000000083591 Rises=F Damp=F
 DIIS: error= 6.99D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45116579741     IErMin= 5 ErrMin= 6.99D-06
 ErrMax= 6.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-08 BMatP= 1.10D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-04 0.150D+00 0.334D-01 0.436D+00 0.380D+00
 Coeff:     -0.111D-04 0.150D+00 0.334D-01 0.436D+00 0.380D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.42D-07 MaxDP=2.90D-05 DE=-8.36D-08 OVMax= 3.09D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.66D-07    CP:  1.00D+00  9.77D-01  3.41D-01  7.21D-01  7.19D-01
 E= -1013.45116581364     Delta-E=       -0.000000016224 Rises=F Damp=F
 DIIS: error= 7.30D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45116581364     IErMin= 6 ErrMin= 7.30D-07
 ErrMax= 7.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-10 BMatP= 1.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.163D-04 0.408D-01 0.865D-02 0.126D+00 0.161D+00 0.664D+00
 Coeff:     -0.163D-04 0.408D-01 0.865D-02 0.126D+00 0.161D+00 0.664D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.29D-08 MaxDP=3.60D-06 DE=-1.62D-08 OVMax= 5.27D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.49D-08    CP:  1.00D+00  9.77D-01  3.42D-01  7.25D-01  7.20D-01
                    CP:  8.96D-01
 E= -1013.45116581380     Delta-E=       -0.000000000167 Rises=F Damp=F
 DIIS: error= 1.78D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45116581380     IErMin= 7 ErrMin= 1.78D-07
 ErrMax= 1.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.63D-11 BMatP= 2.99D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-04 0.119D-01 0.247D-02 0.389D-01 0.609D-01 0.362D+00
 Coeff-Com:  0.524D+00
 Coeff:     -0.114D-04 0.119D-01 0.247D-02 0.389D-01 0.609D-01 0.362D+00
 Coeff:      0.524D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.16D-08 MaxDP=1.07D-06 DE=-1.67D-10 OVMax= 1.41D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.60D-08    CP:  1.00D+00  9.77D-01  3.42D-01  7.25D-01  7.21D-01
                    CP:  8.91D-01  7.39D-01
 E= -1013.45116581384     Delta-E=       -0.000000000036 Rises=F Damp=F
 DIIS: error= 5.64D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45116581384     IErMin= 8 ErrMin= 5.64D-08
 ErrMax= 5.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-12 BMatP= 4.63D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.411D-05 0.217D-02 0.470D-03 0.772D-02 0.153D-01 0.116D+00
 Coeff-Com:  0.258D+00 0.600D+00
 Coeff:     -0.411D-05 0.217D-02 0.470D-03 0.772D-02 0.153D-01 0.116D+00
 Coeff:      0.258D+00 0.600D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.40D-09 MaxDP=5.56D-07 DE=-3.64D-11 OVMax= 8.33D-07

 Error on total polarization charges =  0.04265
 SCF Done:  E(RB97D) =  -1013.45116581     A.U. after    8 cycles
            NFock=  8  Conv=0.84D-08     -V/T= 2.0213
 KE= 9.923532227057D+02 PE=-6.026633314218D+03 EE= 2.173200389987D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:15:51 2016, MaxMem=  2952790016 cpu:      1174.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11975 LenP2D=   37516.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     365
 Leave Link  701 at Mon Nov 14 01:15:59 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:15:59 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:16:36 2016, MaxMem=  2952790016 cpu:       439.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.40773101D+00-2.76456280D+00 3.36326498D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000376309   -0.000604303   -0.000177413
      2        6           0.000019455    0.000101801    0.000041253
      3        8           0.000028261   -0.000001772    0.000041727
      4        7           0.000013713    0.000041854    0.000041907
      5        1           0.000042332    0.000042234   -0.000043729
      6        6          -0.000046284    0.000090566    0.000123249
      7        1           0.000063419    0.000062416   -0.000027218
      8        1          -0.000018857    0.000070919    0.000057540
      9        1           0.000069202   -0.000081138    0.000024803
     10        6           0.000086262   -0.000008287   -0.000016105
     11        1           0.000020057    0.000030332    0.000042878
     12        1          -0.000000761    0.000020972    0.000054576
     13        1           0.000026302    0.000022847    0.000021667
     14        6          -0.000022798   -0.000010473   -0.000040598
     15        8          -0.000023022   -0.000023135   -0.000030690
     16        7          -0.000030853    0.000024061   -0.000032737
     17        1          -0.000014916    0.000003996   -0.000030923
     18        6          -0.000042287    0.000016504   -0.000029490
     19        1          -0.000024673    0.000052849   -0.000012734
     20        1          -0.000005495    0.000011368   -0.000055741
     21        1          -0.000008509   -0.000002941   -0.000035495
     22        6          -0.000047565    0.000031084   -0.000072507
     23        1           0.000013206    0.000001052   -0.000027607
     24        1          -0.000025044    0.000033248   -0.000029761
     25        1           0.000006325    0.000022021   -0.000026108
     26        6          -0.000020155    0.000063532    0.000027000
     27        8           0.000002998   -0.000022856    0.000039064
     28        7           0.000012323   -0.000001985    0.000021298
     29        1          -0.000024211   -0.000017189    0.000018465
     30        6          -0.000022253   -0.000033246    0.000005780
     31        1           0.000001053    0.000000881    0.000008262
     32        1          -0.000014564   -0.000009334   -0.000040196
     33        1           0.000004893   -0.000003704    0.000018094
     34        6          -0.000035888    0.000004348   -0.000045338
     35        1          -0.000025986   -0.000040558    0.000017415
     36        1           0.000013898   -0.000011032    0.000057427
     37        1          -0.000033895   -0.000016389   -0.000002856
     38        6           0.000057434    0.000068593    0.000177713
     39        8           0.000054131   -0.000043362   -0.000128147
     40        7          -0.000008852   -0.000091421    0.000004503
     41        1          -0.000098570    0.000082010    0.000006520
     42        6          -0.000173146   -0.000104642    0.000031387
     43        1          -0.000000185    0.000045957    0.000063454
     44        1           0.000013009   -0.000007334    0.000024583
     45        1          -0.000059619    0.000029903   -0.000013748
     46        6          -0.000032328    0.000062299   -0.000050358
     47        1          -0.000021725   -0.000005296    0.000001464
     48        1          -0.000019416    0.000129928   -0.000013990
     49        1          -0.000022724   -0.000027179    0.000011463
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000604303 RMS     0.000076306
 Leave Link  716 at Mon Nov 14 01:16:36 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000095030 RMS     0.000015272
 Search for a local minimum.
 Step number  22 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15272D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   16   17   18   19   20
                                                     21   22
 DE= -8.10D-06 DEPred=-3.03D-06 R= 2.68D+00
 TightC=F SS=  1.41D+00  RLast= 8.02D-02 DXNew= 2.2445D+00 2.4067D-01
 Trust test= 2.68D+00 RLast= 8.02D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0
     Eigenvalues ---    0.00038   0.00095   0.00170   0.00349   0.00359
     Eigenvalues ---    0.00405   0.00420   0.00580   0.00617   0.00704
     Eigenvalues ---    0.00752   0.00780   0.00908   0.00914   0.00936
     Eigenvalues ---    0.01007   0.01025   0.01058   0.01195   0.01215
     Eigenvalues ---    0.01296   0.01361   0.01399   0.01488   0.01521
     Eigenvalues ---    0.01554   0.01616   0.01775   0.01782   0.01830
     Eigenvalues ---    0.01878   0.01942   0.01975   0.02013   0.02081
     Eigenvalues ---    0.02144   0.02204   0.02249   0.02549   0.02675
     Eigenvalues ---    0.02903   0.03014   0.03269   0.03596   0.04001
     Eigenvalues ---    0.04215   0.04397   0.04746   0.05212   0.05566
     Eigenvalues ---    0.05661   0.05979   0.06060   0.06230   0.06466
     Eigenvalues ---    0.06917   0.07033   0.07297   0.07508   0.07785
     Eigenvalues ---    0.07923   0.08158   0.08252   0.08389   0.08436
     Eigenvalues ---    0.08546   0.08636   0.08743   0.08834   0.08948
     Eigenvalues ---    0.09114   0.09185   0.09625   0.09839   0.09877
     Eigenvalues ---    0.10003   0.10068   0.10170   0.10395   0.10535
     Eigenvalues ---    0.10547   0.10641   0.10714   0.10919   0.11298
     Eigenvalues ---    0.11435   0.11620   0.12043   0.12346   0.13281
     Eigenvalues ---    0.13491   0.14434   0.14707   0.15256   0.15426
     Eigenvalues ---    0.15719   0.16445   0.21981   0.23178   0.23612
     Eigenvalues ---    0.24044   0.24446   0.25162   0.25831   0.26579
     Eigenvalues ---    0.27026   0.27851   0.28738   0.29318   0.29774
     Eigenvalues ---    0.29930   0.29987   0.32717   0.32734   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33376   0.33383
     Eigenvalues ---    0.33416   0.33423   0.33452   0.33514   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33833   0.33915   0.33947
     Eigenvalues ---    0.34000   0.34029   0.34147   0.37266   0.39288
     Eigenvalues ---    0.40613   0.41382   0.85939   0.85992   0.86079
     Eigenvalues ---    0.87318
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    22   21   20   19   18
 RFO step:  Lambda=-8.97087239D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.15D-05 SmlDif=  1.00D-05
 RMS Error=  0.9413566486D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.89684   -3.40030    1.74657   -0.11750   -0.12560
 Iteration  1 RMS(Cart)=  0.00369345 RMS(Int)=  0.00001932
 Iteration  2 RMS(Cart)=  0.00001148 RMS(Int)=  0.00000416
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000416
 ITry= 1 IFail=0 DXMaxC= 3.13D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.62217   0.00002  -0.00035  -0.00196  -0.00231   6.61985
    R2        6.23378   0.00000   0.00277   0.00014   0.00290   6.23668
    R3        7.06609   0.00005   0.01235   0.00355   0.01588   7.08197
    R4        6.11082   0.00004   0.01201   0.00409   0.01612   6.12694
    R5        6.58320  -0.00006  -0.00244  -0.00122  -0.00366   6.57954
    R6        5.93783  -0.00003  -0.00050  -0.00025  -0.00074   5.93709
    R7        6.72530   0.00000  -0.00123  -0.00010  -0.00133   6.72397
    R8        6.22985   0.00000  -0.00048  -0.00014  -0.00062   6.22923
    R9        6.63697   0.00001   0.00190   0.00028   0.00218   6.63915
   R10        6.06271   0.00000  -0.00432  -0.00047  -0.00479   6.05792
   R11        6.97647   0.00000  -0.00279  -0.00067  -0.00346   6.97302
   R12        6.03012   0.00000  -0.00278  -0.00058  -0.00336   6.02675
   R13        6.90985  -0.00001  -0.00139  -0.00184  -0.00323   6.90663
   R14        6.20057  -0.00001  -0.00016  -0.00013  -0.00029   6.20028
   R15        6.87591  -0.00002   0.00030  -0.00018   0.00012   6.87603
   R16        5.95856  -0.00001   0.00131  -0.00002   0.00129   5.95985
   R17        6.68342   0.00001   0.00277   0.00082   0.00358   6.68700
   R18        6.67694   0.00006   0.01010   0.00249   0.01258   6.68953
   R19        6.20064   0.00005  -0.00067   0.00004  -0.00063   6.20001
   R20        6.65875  -0.00001  -0.00254   0.00023  -0.00231   6.65645
   R21        6.01307   0.00000   0.00265   0.00093   0.00357   6.01663
   R22        6.88573   0.00006   0.00389  -0.00107   0.00281   6.88854
   R23        5.92874   0.00001   0.00463   0.00046   0.00510   5.93383
   R24        2.34853   0.00001   0.00013  -0.00001   0.00012   2.34865
   R25        2.57300   0.00000  -0.00020  -0.00006  -0.00026   2.57274
   R26        2.09499   0.00000   0.00001  -0.00001   0.00000   2.09499
   R27        2.76532   0.00000  -0.00022   0.00007  -0.00013   2.76519
   R28        2.76729   0.00004  -0.00006  -0.00003  -0.00009   2.76721
   R29        2.07637   0.00000  -0.00002   0.00007   0.00005   2.07642
   R30        2.08261   0.00000   0.00009  -0.00010   0.00000   2.08261
   R31        2.08290   0.00000   0.00005  -0.00002   0.00002   2.08292
   R32        2.08108  -0.00002  -0.00004  -0.00003  -0.00007   2.08101
   R33        2.07450   0.00000  -0.00004   0.00000  -0.00004   2.07446
   R34        2.08353   0.00000   0.00004  -0.00002   0.00002   2.08354
   R35        2.34871   0.00000  -0.00004  -0.00002  -0.00006   2.34866
   R36        2.57123   0.00000   0.00010   0.00000   0.00011   2.57134
   R37        2.09373   0.00000   0.00000   0.00001   0.00001   2.09374
   R38        2.76872   0.00000  -0.00007  -0.00001  -0.00008   2.76864
   R39        2.76470   0.00000   0.00001  -0.00001   0.00001   2.76471
   R40        2.08145   0.00001   0.00015  -0.00005   0.00010   2.08155
   R41        2.08397   0.00000   0.00001  -0.00001   0.00000   2.08397
   R42        2.07469   0.00000  -0.00012   0.00010  -0.00002   2.07467
   R43        2.08320   0.00000   0.00001   0.00000   0.00001   2.08321
   R44        2.08381   0.00001   0.00001   0.00003   0.00003   2.08384
   R45        2.07672   0.00000  -0.00001   0.00001   0.00000   2.07672
   R46        2.34830   0.00000   0.00004  -0.00004  -0.00001   2.34829
   R47        2.57149   0.00002   0.00009  -0.00004   0.00005   2.57154
   R48        2.09360   0.00000  -0.00001   0.00000  -0.00001   2.09359
   R49        2.76476   0.00002  -0.00006   0.00000  -0.00006   2.76471
   R50        2.76897  -0.00001  -0.00015  -0.00001  -0.00016   2.76881
   R51        2.08448   0.00000   0.00001  -0.00001   0.00000   2.08448
   R52        2.08160   0.00001  -0.00005   0.00004  -0.00002   2.08158
   R53        2.07597   0.00000  -0.00003   0.00001  -0.00002   2.07595
   R54        2.08518   0.00001   0.00006   0.00001   0.00007   2.08524
   R55        2.07374   0.00001  -0.00002  -0.00004  -0.00006   2.07368
   R56        2.07787   0.00001   0.00009   0.00001   0.00010   2.07797
   R57        2.34789   0.00006   0.00010   0.00004   0.00014   2.34803
   R58        2.57275  -0.00005  -0.00018  -0.00002  -0.00019   2.57256
   R59        2.09550   0.00001   0.00004  -0.00001   0.00003   2.09554
   R60        2.76897  -0.00006   0.00030  -0.00021   0.00010   2.76906
   R61        2.76570  -0.00008   0.00010   0.00001   0.00012   2.76581
   R62        2.07393  -0.00003   0.00008   0.00006   0.00015   2.07408
   R63        2.08415   0.00001  -0.00002  -0.00002  -0.00005   2.08410
   R64        2.08050  -0.00002  -0.00010  -0.00020  -0.00029   2.08021
   R65        2.07695   0.00000  -0.00004   0.00003  -0.00002   2.07693
   R66        2.08407  -0.00002   0.00003  -0.00015  -0.00012   2.08395
   R67        2.08318   0.00001  -0.00016   0.00015  -0.00001   2.08317
    A1        0.69181   0.00000  -0.00075  -0.00016  -0.00091   0.69089
    A2        0.97437  -0.00001  -0.00129  -0.00031  -0.00160   0.97277
    A3        0.72247   0.00001   0.00021   0.00016   0.00037   0.72284
    A4        1.01703   0.00000   0.00005   0.00014   0.00018   1.01722
    A5        2.31421   0.00000   0.00081   0.00031   0.00113   2.31534
    A6        1.99387   0.00000   0.00083   0.00032   0.00115   1.99502
    A7        1.95112   0.00000   0.00075   0.00030   0.00104   1.95216
    A8        1.65696   0.00000   0.00125   0.00037   0.00162   1.65858
    A9        1.62607   0.00000   0.00063   0.00028   0.00090   1.62697
   A10        1.34400   0.00000   0.00056   0.00027   0.00083   1.34484
   A11        1.74328  -0.00001  -0.00070  -0.00021  -0.00092   1.74236
   A12        2.03952  -0.00001  -0.00049  -0.00004  -0.00053   2.03899
   A13        1.93300  -0.00001  -0.00023   0.00008  -0.00015   1.93285
   A14        2.01221   0.00000   0.00022   0.00020   0.00042   2.01263
   A15        2.43952  -0.00001  -0.00068  -0.00012  -0.00080   2.43871
   A16        1.55970   0.00000   0.00233   0.00014   0.00248   1.56218
   A17        1.78777   0.00000   0.00092  -0.00004   0.00088   1.78865
   A18        1.59984   0.00000  -0.00105  -0.00019  -0.00124   1.59860
   A19        1.73646  -0.00001  -0.00171  -0.00022  -0.00193   1.73453
   A20        2.20035  -0.00002   0.00073   0.00005   0.00077   2.20113
   A21        2.43070  -0.00003   0.00033  -0.00049  -0.00016   2.43054
   A22        0.65717   0.00000  -0.00073  -0.00017  -0.00090   0.65627
   A23        0.66350   0.00000  -0.00024  -0.00003  -0.00028   0.66322
   A24        2.37907   0.00000   0.00014   0.00007   0.00022   2.37928
   A25        2.19776   0.00001   0.00037   0.00019   0.00057   2.19833
   A26        2.29466   0.00000   0.00047   0.00029   0.00075   2.29541
   A27        2.02833   0.00000   0.00117   0.00042   0.00158   2.02991
   A28        1.79199   0.00000   0.00016   0.00014   0.00030   1.79229
   A29        1.54631   0.00000   0.00024   0.00021   0.00045   1.54676
   A30        1.34778  -0.00001  -0.00057  -0.00027  -0.00083   1.34695
   A31        1.64385  -0.00001  -0.00056  -0.00017  -0.00072   1.64313
   A32        1.59101   0.00000  -0.00062  -0.00017  -0.00079   1.59021
   A33        1.73974   0.00000  -0.00040  -0.00010  -0.00050   1.73923
   A34        2.04161  -0.00001  -0.00061  -0.00019  -0.00080   2.04081
   A35        1.78795   0.00000   0.00341   0.00053   0.00394   1.79189
   A36        1.88455   0.00000   0.00219   0.00040   0.00258   1.88713
   A37        1.56144   0.00000   0.00068   0.00029   0.00097   1.56241
   A38        1.58174  -0.00001  -0.00025   0.00020  -0.00005   1.58169
   A39        2.26537  -0.00002   0.00135   0.00036   0.00171   2.26708
   A40        2.36981  -0.00003   0.00076  -0.00056   0.00019   2.37001
   A41        0.70068   0.00000  -0.00099  -0.00016  -0.00115   0.69952
   A42        0.76891   0.00000  -0.00150  -0.00030  -0.00179   0.76711
   A43        2.66802   0.00000  -0.00114  -0.00029  -0.00143   2.66658
   A44        2.59329   0.00000  -0.00070  -0.00010  -0.00080   2.59249
   A45        2.63980   0.00000   0.00017   0.00018   0.00035   2.64015
   A46        2.33244   0.00000   0.00071   0.00029   0.00100   2.33344
   A47        2.18676   0.00000  -0.00089  -0.00014  -0.00103   2.18573
   A48        1.94631   0.00000  -0.00070  -0.00005  -0.00076   1.94555
   A49        1.11446  -0.00001  -0.00088  -0.00036  -0.00124   1.11323
   A50        1.47451  -0.00001  -0.00097  -0.00029  -0.00125   1.47326
   A51        1.58027  -0.00001  -0.00149  -0.00041  -0.00190   1.57837
   A52        1.81573  -0.00001  -0.00148  -0.00039  -0.00188   1.81386
   A53        1.79567  -0.00001  -0.00053  -0.00018  -0.00072   1.79495
   A54        1.60867   0.00000   0.00478   0.00090   0.00568   1.61436
   A55        1.58079   0.00001   0.00368   0.00081   0.00449   1.58528
   A56        1.20357   0.00001   0.00237   0.00072   0.00309   1.20666
   A57        1.18575   0.00000   0.00094   0.00052   0.00147   1.18721
   A58        1.91220  -0.00001   0.00245   0.00068   0.00312   1.91533
   A59        1.97463  -0.00003   0.00176  -0.00031   0.00145   1.97608
   A60        0.84533   0.00001   0.00010   0.00023   0.00032   0.84564
   A61        0.79232   0.00001  -0.00013   0.00019   0.00006   0.79238
   A62        2.60293   0.00001   0.00074   0.00027   0.00100   2.60393
   A63        2.75812   0.00001   0.00046   0.00028   0.00073   2.75885
   A64        2.60100  -0.00001  -0.00045  -0.00006  -0.00051   2.60049
   A65        2.38207   0.00001   0.00003   0.00018   0.00020   2.38228
   A66        2.18210   0.00001  -0.00013   0.00018   0.00004   2.18214
   A67        0.86780   0.00000   0.00029   0.00000   0.00029   0.86809
   A68        1.24284   0.00000   0.00037   0.00012   0.00049   1.24333
   A69        1.42775   0.00001   0.00015   0.00011   0.00025   1.42800
   A70        1.69895   0.00001   0.00019   0.00014   0.00033   1.69928
   A71        1.52628   0.00000   0.00051   0.00012   0.00062   1.52690
   A72        1.62476  -0.00002   0.00300   0.00036   0.00336   1.62812
   A73        1.48954  -0.00001   0.00241   0.00040   0.00281   1.49235
   A74        1.07202   0.00000   0.00179   0.00042   0.00221   1.07423
   A75        0.97735  -0.00001   0.00074   0.00037   0.00112   0.97847
   A76        1.74860  -0.00002   0.00129   0.00030   0.00160   1.75019
   A77        1.75016  -0.00003   0.00108  -0.00057   0.00051   1.75067
   A78        1.98951  -0.00001  -0.00010  -0.00009  -0.00019   1.98932
   A79        1.92535   0.00000   0.00010  -0.00002   0.00008   1.92544
   A80        2.20028   0.00000   0.00013   0.00005   0.00017   2.20045
   A81        2.05297   0.00001   0.00118   0.00026   0.00144   2.05441
   A82        1.53678   0.00000  -0.00006  -0.00004  -0.00010   1.53668
   A83        1.36200   0.00000   0.00015   0.00008   0.00023   1.36223
   A84        1.18711  -0.00001  -0.00003   0.00004   0.00001   1.18712
   A85        1.37380  -0.00001  -0.00020   0.00002  -0.00018   1.37362
   A86        1.21052  -0.00001  -0.00044  -0.00008  -0.00052   1.21000
   A87        1.31889  -0.00001  -0.00036  -0.00009  -0.00045   1.31844
   A88        1.80052  -0.00001  -0.00039  -0.00002  -0.00041   1.80011
   A89        2.21969   0.00001   0.00347   0.00058   0.00404   2.22374
   A90        2.27925   0.00001   0.00262   0.00062   0.00324   2.28249
   A91        1.89843   0.00002   0.00166   0.00062   0.00228   1.90071
   A92        1.81828   0.00000   0.00095   0.00061   0.00156   1.81984
   A93        2.59384  -0.00001   0.00141   0.00053   0.00194   2.59578
   A94        2.54094  -0.00002   0.00060  -0.00048   0.00012   2.54106
   A95        1.90051   0.00000   0.00038   0.00000   0.00038   1.90090
   A96        1.96860   0.00001   0.00071   0.00011   0.00082   1.96942
   A97        2.34131   0.00001   0.00070   0.00016   0.00086   2.34217
   A98        2.28937   0.00001   0.00178   0.00041   0.00219   2.29155
   A99        1.63673   0.00001   0.00063   0.00012   0.00075   1.63749
   A100       1.53360   0.00001   0.00088   0.00028   0.00116   1.53476
   A101       0.88598  -0.00001  -0.00031  -0.00004  -0.00035   0.88563
   A102       1.05641  -0.00001  -0.00035  -0.00005  -0.00040   1.05601
   A103       0.92857  -0.00001  -0.00038  -0.00013  -0.00051   0.92806
   A104       1.09010  -0.00001  -0.00017  -0.00010  -0.00027   1.08983
   A105       1.48299  -0.00001  -0.00053  -0.00010  -0.00064   1.48236
   A106       2.37758   0.00000   0.00329   0.00060   0.00389   2.38147
   A107       2.27749   0.00000   0.00218   0.00058   0.00276   2.28024
   A108       1.85171   0.00001   0.00177   0.00061   0.00237   1.85408
   A109       1.68215   0.00000   0.00098   0.00057   0.00156   1.68370
   A110       2.44048  -0.00001   0.00035   0.00028   0.00063   2.44112
   A111       2.28386  -0.00001  -0.00014  -0.00060  -0.00074   2.28312
   A112       0.71287   0.00000   0.00003  -0.00001   0.00002   0.71289
   A113       1.00431   0.00000   0.00021   0.00001   0.00022   1.00453
   A114       0.69332   0.00000   0.00021   0.00004   0.00025   0.69357
   A115       0.97985   0.00000   0.00032   0.00007   0.00039   0.98024
   A116       1.79070   0.00001   0.00059   0.00026   0.00084   1.79155
   A117       1.41230   0.00001   0.00046   0.00013   0.00059   1.41289
   A118       1.17706   0.00000   0.00062   0.00016   0.00078   1.17784
   A119       0.90424   0.00000   0.00053   0.00013   0.00066   0.90490
   A120       1.24235   0.00001   0.00014   0.00005   0.00019   1.24254
   A121       2.00434   0.00000  -0.00365  -0.00061  -0.00426   2.00008
   A122       2.01142   0.00000  -0.00243  -0.00050  -0.00293   2.00849
   A123       2.33382  -0.00001  -0.00049  -0.00031  -0.00080   2.33302
   A124       2.23229   0.00001   0.00094  -0.00008   0.00086   2.23315
   A125       1.63842   0.00002  -0.00150  -0.00044  -0.00193   1.63649
   A126       1.49501   0.00003  -0.00108   0.00033  -0.00074   1.49427
   A127       0.65625   0.00000   0.00033   0.00005   0.00037   0.65662
   A128       0.66124   0.00000   0.00021   0.00003   0.00024   0.66148
   A129       2.14608   0.00002   0.00079   0.00031   0.00111   2.14718
   A130       1.77786   0.00001   0.00062   0.00018   0.00080   1.77866
   A131       1.47959   0.00001   0.00081   0.00022   0.00103   1.48062
   A132       1.18778   0.00000   0.00077   0.00020   0.00097   1.18875
   A133       1.63448   0.00001   0.00022   0.00006   0.00028   1.63477
   A134       1.86705   0.00000  -0.00357  -0.00068  -0.00425   1.86279
   A135       2.03514  -0.00001  -0.00290  -0.00069  -0.00359   2.03155
   A136       2.45218  -0.00002  -0.00212  -0.00067  -0.00279   2.44939
   A137       2.50349   0.00000  -0.00018  -0.00041  -0.00059   2.50290
   A138       1.76180   0.00001  -0.00156  -0.00052  -0.00208   1.75971
   A139       1.71460   0.00002  -0.00111   0.00039  -0.00072   1.71388
   A140       0.70473   0.00000   0.00006   0.00003   0.00009   0.70482
   A141       0.83861   0.00000  -0.00004  -0.00004  -0.00008   0.83852
   A142       2.48937   0.00001   0.00052   0.00019   0.00071   2.49008
   A143       2.11044   0.00001   0.00043   0.00008   0.00051   2.11095
   A144       1.88212   0.00001   0.00067   0.00017   0.00085   1.88297
   A145       1.59686   0.00000   0.00062   0.00016   0.00078   1.59764
   A146       1.84032   0.00001   0.00017  -0.00003   0.00014   1.84046
   A147       1.44128   0.00000  -0.00339  -0.00067  -0.00405   1.43722
   A148       1.65470  -0.00001  -0.00280  -0.00072  -0.00352   1.65118
   A149       2.08292  -0.00002  -0.00262  -0.00077  -0.00340   2.07952
   A150       2.25143  -0.00001  -0.00143  -0.00071  -0.00215   2.24928
   A151       1.47230   0.00001  -0.00132  -0.00054  -0.00185   1.47044
   A152       1.52790   0.00002  -0.00092   0.00040  -0.00051   1.52739
   A153       0.76399   0.00000   0.00087   0.00016   0.00103   0.76502
   A154       0.77227   0.00000   0.00083   0.00008   0.00091   0.77318
   A155       2.79501   0.00002   0.00080   0.00027   0.00106   2.79608
   A156       2.41598   0.00001   0.00060   0.00012   0.00072   2.41670
   A157       2.13306   0.00001   0.00123   0.00030   0.00153   2.13459
   A158       1.84015   0.00001   0.00121   0.00028   0.00148   1.84163
   A159       2.15419   0.00001  -0.00017  -0.00010  -0.00027   2.15391
   A160       1.30762   0.00000  -0.00371  -0.00078  -0.00449   1.30313
   A161       1.61101  -0.00001  -0.00356  -0.00089  -0.00445   1.60656
   A162       2.01482  -0.00002  -0.00398  -0.00097  -0.00495   2.00987
   A163       2.26952  -0.00002  -0.00324  -0.00099  -0.00424   2.26528
   A164       1.55212   0.00000  -0.00208  -0.00067  -0.00275   1.54937
   A165       1.68757   0.00001  -0.00173   0.00022  -0.00151   1.68606
   A166       2.12292   0.00001   0.00087   0.00037   0.00124   2.12416
   A167       1.83059   0.00001   0.00072   0.00026   0.00099   1.83158
   A168       1.44307   0.00001   0.00080   0.00027   0.00107   1.44414
   A169       1.16607   0.00000   0.00082   0.00025   0.00107   1.16714
   A170       1.85010   0.00001   0.00032   0.00013   0.00045   1.85055
   A171       2.07084   0.00000  -0.00279  -0.00062  -0.00341   2.06743
   A172       2.35304  -0.00001  -0.00272  -0.00070  -0.00343   2.34961
   A173       2.77529  -0.00002  -0.00293  -0.00079  -0.00373   2.77156
   A174       2.15233   0.00001  -0.00133  -0.00049  -0.00182   2.15051
   A175       2.12100   0.00003  -0.00091   0.00043  -0.00047   2.12052
   A176       2.21792   0.00001   0.00109   0.00050   0.00159   2.21951
   A177       2.00556   0.00001   0.00099   0.00042   0.00141   2.00697
   A178       1.59479   0.00001   0.00104   0.00042   0.00146   1.59625
   A179       1.34815   0.00000   0.00108   0.00039   0.00147   1.34962
   A180       2.10747   0.00001   0.00054   0.00024   0.00078   2.10825
   A181       2.00146   0.00000  -0.00223  -0.00066  -0.00290   1.99857
   A182       2.36264  -0.00001  -0.00259  -0.00081  -0.00340   2.35924
   A183       2.68903  -0.00002  -0.00333  -0.00081  -0.00415   2.68488
   A184       2.30442   0.00001  -0.00133  -0.00059  -0.00192   2.30250
   A185       2.35092   0.00002  -0.00095   0.00040  -0.00055   2.35038
   A186       0.68946   0.00001   0.00006   0.00011   0.00016   0.68963
   A187       0.97961   0.00001   0.00006   0.00013   0.00019   0.97981
   A188       0.69792   0.00000   0.00002   0.00009   0.00011   0.69803
   A189       2.06165  -0.00001   0.00131   0.00018   0.00149   2.06314
   A190       1.69806   0.00000   0.00137   0.00029   0.00167   1.69973
   A191       1.35184   0.00001   0.00234   0.00040   0.00274   1.35458
   A192       1.05262   0.00001   0.00186   0.00043   0.00230   1.05492
   A193       1.62158   0.00000   0.00006   0.00009   0.00015   1.62173
   A194       1.40676   0.00000   0.00001  -0.00057  -0.00057   1.40619
   A195       0.66607   0.00001  -0.00010   0.00001  -0.00008   0.66599
   A196       2.22966  -0.00001   0.00018   0.00006   0.00025   2.22990
   A197       1.83427   0.00000   0.00078   0.00021   0.00100   1.83527
   A198       1.58860   0.00001   0.00233   0.00040   0.00273   1.59133
   A199       1.27477   0.00001   0.00210   0.00042   0.00252   1.27729
   A200       1.61440   0.00000  -0.00034  -0.00005  -0.00038   1.61402
   A201       1.34223   0.00001  -0.00030  -0.00047  -0.00077   1.34146
   A202       0.71043   0.00000  -0.00028  -0.00005  -0.00033   0.71010
   A203       2.62746   0.00000  -0.00039   0.00000  -0.00039   2.62708
   A204       2.23471   0.00001   0.00052   0.00018   0.00071   2.23541
   A205       1.99871   0.00001   0.00233   0.00042   0.00276   2.00147
   A206       1.68517   0.00002   0.00205   0.00045   0.00250   1.68767
   A207       1.95476   0.00001  -0.00058  -0.00011  -0.00069   1.95407
   A208       1.66575   0.00002  -0.00048  -0.00032  -0.00080   1.66496
   A209       0.83455   0.00001  -0.00045  -0.00008  -0.00053   0.83402
   A210       2.70478   0.00000  -0.00228  -0.00030  -0.00258   2.70220
   A211       2.37480   0.00001  -0.00038   0.00000  -0.00038   2.37442
   A212       2.24288   0.00002   0.00209   0.00036   0.00245   2.24534
   A213       1.93173   0.00002   0.00198   0.00040   0.00238   1.93411
   A214       2.01133   0.00002  -0.00104  -0.00024  -0.00127   2.01006
   A215       1.72570   0.00003  -0.00084  -0.00018  -0.00102   1.72469
   A216       1.92710  -0.00001  -0.00059  -0.00002  -0.00061   1.92649
   A217       1.54991   0.00000   0.00040   0.00015   0.00055   1.55046
   A218       1.44618   0.00000   0.00216   0.00030   0.00246   1.44864
   A219       1.16043   0.00001   0.00220   0.00032   0.00252   1.16296
   A220       1.24474   0.00001  -0.00029  -0.00005  -0.00033   1.24441
   A221       0.95724   0.00002  -0.00018  -0.00030  -0.00048   0.95676
   A222       0.71502  -0.00002  -0.00065  -0.00020  -0.00086   0.71416
   A223       1.00911  -0.00002  -0.00060  -0.00026  -0.00085   1.00826
   A224       0.70065  -0.00002  -0.00077  -0.00001  -0.00078   0.69987
   A225       0.99040  -0.00002  -0.00086   0.00004  -0.00081   0.98959
   A226       0.66169  -0.00001   0.00006  -0.00012  -0.00005   0.66163
   A227       0.66878  -0.00003  -0.00008  -0.00010  -0.00017   0.66861
   A228       0.70995  -0.00002   0.00030   0.00000   0.00030   0.71025
   A229       0.84286  -0.00003   0.00094  -0.00052   0.00043   0.84329
   A230       0.78082  -0.00001   0.00012  -0.00014  -0.00002   0.78081
   A231       0.78897  -0.00002   0.00088  -0.00081   0.00007   0.78904
   A232       1.64797  -0.00005  -0.00400  -0.00132  -0.00532   1.64265
   A233       1.81570   0.00006   0.00335   0.00074   0.00409   1.81979
   A234       2.19216  -0.00002  -0.00017   0.00008  -0.00008   2.19207
   A235       2.12909   0.00000  -0.00003   0.00001  -0.00002   2.12906
   A236       1.96156   0.00002   0.00020  -0.00009   0.00010   1.96166
   A237       2.12142   0.00000   0.00052  -0.00004   0.00049   2.12191
   A238       2.12594   0.00000   0.00044  -0.00006   0.00037   2.12632
   A239       2.03460  -0.00001  -0.00091   0.00010  -0.00081   2.03378
   A240       1.77971   0.00007   0.00683   0.00192   0.00876   1.78846
   A241       2.58977  -0.00007  -0.00665  -0.00175  -0.00842   2.58135
   A242       1.91182   0.00002   0.00042  -0.00003   0.00041   1.91223
   A243       1.91611   0.00000   0.00026   0.00020   0.00045   1.91656
   A244       1.92173  -0.00001  -0.00075  -0.00016  -0.00096   1.92078
   A245       1.90861   0.00000   0.00020   0.00001   0.00020   1.90881
   A246       1.90856   0.00000   0.00015  -0.00004   0.00011   1.90868
   A247       1.89686  -0.00002  -0.00028   0.00001  -0.00022   1.89664
   A248       1.36205  -0.00004  -0.00244  -0.00113  -0.00357   1.35848
   A249       1.90747   0.00000  -0.00027  -0.00011  -0.00038   1.90709
   A250       1.90851  -0.00001   0.00037  -0.00004   0.00033   1.90884
   A251       1.92732  -0.00001  -0.00026  -0.00002  -0.00027   1.92705
   A252       1.91098   0.00000   0.00039   0.00001   0.00040   1.91137
   A253       1.89518  -0.00001  -0.00018   0.00011  -0.00007   1.89511
   A254       1.91426   0.00002  -0.00006   0.00006   0.00000   1.91426
   A255       1.71827   0.00001   0.00139   0.00019   0.00158   1.71985
   A256       1.78001  -0.00001  -0.00186  -0.00032  -0.00218   1.77783
   A257       2.19030  -0.00001   0.00017   0.00003   0.00020   2.19050
   A258       2.13008   0.00000  -0.00001  -0.00002  -0.00003   2.13005
   A259       1.96261   0.00001  -0.00016  -0.00002  -0.00018   1.96244
   A260       2.12305   0.00001   0.00025   0.00000   0.00025   2.12329
   A261       2.12423  -0.00001  -0.00013  -0.00003  -0.00015   2.12407
   A262       2.03583   0.00000  -0.00012   0.00003  -0.00010   2.03573
   A263       1.33759   0.00000   0.00428   0.00071   0.00499   1.34258
   A264       1.89945   0.00000   0.00032   0.00009   0.00040   1.89985
   A265       1.93200   0.00000  -0.00004  -0.00012  -0.00016   1.93184
   A266       1.90991   0.00000  -0.00008   0.00006  -0.00003   1.90988
   A267       1.89843   0.00000  -0.00017  -0.00006  -0.00023   1.89821
   A268       1.91276  -0.00001   0.00001   0.00002   0.00004   1.91280
   A269       1.91114   0.00000  -0.00004   0.00001  -0.00002   1.91112
   A270       2.64172   0.00001   0.00066   0.00040   0.00106   2.64277
   A271       1.72220  -0.00001  -0.00073  -0.00041  -0.00114   1.72106
   A272       1.92376   0.00000  -0.00008   0.00000  -0.00008   1.92367
   A273       1.91515   0.00000   0.00019  -0.00003   0.00015   1.91530
   A274       1.91411   0.00000   0.00005  -0.00001   0.00004   1.91415
   A275       1.89416   0.00000  -0.00015   0.00004  -0.00011   1.89405
   A276       1.91059   0.00000  -0.00003   0.00000  -0.00003   1.91056
   A277       1.90587   0.00000   0.00003   0.00000   0.00003   1.90590
   A278       1.81192   0.00001  -0.00051  -0.00006  -0.00056   1.81136
   A279       1.75531  -0.00003   0.00002  -0.00022  -0.00019   1.75512
   A280       2.18945   0.00001   0.00028  -0.00014   0.00014   2.18960
   A281       2.13030   0.00001  -0.00022   0.00019  -0.00003   2.13027
   A282       1.96334  -0.00001  -0.00007  -0.00004  -0.00011   1.96323
   A283       2.12220   0.00000  -0.00002   0.00002   0.00000   2.12220
   A284       2.11458   0.00000   0.00037   0.00011   0.00049   2.11506
   A285       2.04274   0.00000  -0.00042  -0.00010  -0.00052   2.04223
   A286       2.69428   0.00001   0.00088   0.00017   0.00105   2.69533
   A287       1.66493  -0.00001  -0.00084  -0.00011  -0.00095   1.66398
   A288       1.92647   0.00000  -0.00001  -0.00007  -0.00008   1.92640
   A289       1.91423   0.00002  -0.00012  -0.00001  -0.00013   1.91410
   A290       1.91252  -0.00001   0.00002   0.00003   0.00005   1.91257
   A291       1.89111   0.00000   0.00019   0.00007   0.00026   1.89137
   A292       1.91241  -0.00001   0.00004  -0.00004   0.00000   1.91241
   A293       1.90687  -0.00001  -0.00012   0.00001  -0.00011   1.90676
   A294       1.34074   0.00003   0.00591   0.00129   0.00720   1.34794
   A295       1.15886  -0.00001  -0.00360  -0.00080  -0.00440   1.15446
   A296       1.93333   0.00000  -0.00048   0.00004  -0.00043   1.93290
   A297       1.90655   0.00001   0.00033  -0.00002   0.00030   1.90685
   A298       1.90112  -0.00001   0.00029   0.00010   0.00038   1.90149
   A299       1.90939  -0.00002   0.00000   0.00000   0.00000   1.90939
   A300       1.89937   0.00000  -0.00052  -0.00013  -0.00064   1.89873
   A301       1.91399   0.00001   0.00038   0.00000   0.00040   1.91440
   A302       1.73670  -0.00008   0.00186   0.00028   0.00213   1.73883
   A303       1.75021   0.00009   0.00165   0.00083   0.00248   1.75269
   A304       2.19325  -0.00001  -0.00037   0.00007  -0.00031   2.19294
   A305       2.12991  -0.00001  -0.00005  -0.00009  -0.00014   2.12977
   A306       1.95977   0.00001   0.00042   0.00002   0.00045   1.96022
   A307       2.12454  -0.00003  -0.00114  -0.00009  -0.00124   2.12330
   A308       2.12070   0.00004  -0.00024   0.00024  -0.00001   2.12069
   A309       2.03746  -0.00001   0.00157  -0.00013   0.00144   2.03890
   A310       1.39711   0.00003  -0.00405  -0.00026  -0.00432   1.39279
   A311       2.95821  -0.00001   0.00442   0.00046   0.00489   2.96310
   A312       1.90760   0.00003  -0.00014  -0.00005  -0.00018   1.90743
   A313       1.92889  -0.00003  -0.00040   0.00019  -0.00021   1.92869
   A314       1.90478   0.00004   0.00049  -0.00005   0.00045   1.90523
   A315       1.91425  -0.00002   0.00001  -0.00020  -0.00019   1.91405
   A316       1.91192  -0.00001  -0.00109   0.00014  -0.00096   1.91096
   A317       1.89628  -0.00001   0.00112  -0.00003   0.00108   1.89736
   A318       1.70411   0.00001   0.00072  -0.00197  -0.00125   1.70287
   A319       1.91302  -0.00001  -0.00065   0.00012  -0.00052   1.91250
   A320       1.91777  -0.00003   0.00032  -0.00023   0.00009   1.91787
   A321       1.92367   0.00001  -0.00005   0.00044   0.00039   1.92406
   A322       1.90412   0.00003  -0.00091   0.00010  -0.00082   1.90330
   A323       1.91138  -0.00001   0.00046  -0.00016   0.00029   1.91167
   A324       1.89365   0.00000   0.00083  -0.00027   0.00056   1.89421
   A325       2.92550   0.00000  -0.00054  -0.00001  -0.00056   2.92494
   A326       3.36252  -0.00001  -0.00108   0.00006  -0.00103   3.36150
   A327       3.08046  -0.00001  -0.00115   0.00005  -0.00110   3.07936
   A328       3.27630  -0.00002  -0.00250  -0.00107  -0.00357   3.27273
   A329       3.24873   0.00000   0.00425   0.00072   0.00497   3.25370
   A330       3.25013   0.00001   0.00591   0.00129   0.00720   3.25733
   A331       3.61549   0.00001   0.00118  -0.00213  -0.00095   3.61454
   A332       3.21284   0.00002   0.00065   0.00032   0.00096   3.21380
   A333       3.06912  -0.00002  -0.00257  -0.00081  -0.00339   3.06573
   A334       3.01454  -0.00002  -0.00291  -0.00096  -0.00387   3.01067
   A335       3.23631   0.00000   0.00058  -0.00004   0.00054   3.23685
   A336       3.07715   0.00000  -0.00124  -0.00007  -0.00131   3.07584
   A337       3.10541   0.00000  -0.00149  -0.00037  -0.00185   3.10356
   A338       3.03285  -0.00001   0.00154  -0.00025   0.00129   3.03414
    D1        2.75349  -0.00001   0.00022   0.00026   0.00048   2.75397
    D2       -1.35605  -0.00001  -0.00036   0.00000  -0.00036  -1.35642
    D3        2.75353   0.00001   0.00287   0.00116   0.00402   2.75755
    D4       -1.35602   0.00001   0.00229   0.00089   0.00318  -1.35284
    D5        1.64120  -0.00001   0.00157   0.00056   0.00212   1.64333
    D6       -2.46834  -0.00001   0.00098   0.00030   0.00128  -2.46706
    D7        1.79913   0.00000   0.00269   0.00089   0.00358   1.80270
    D8       -2.31042   0.00000   0.00211   0.00063   0.00273  -2.30769
    D9        0.27970   0.00000   0.00261   0.00096   0.00358   0.28328
   D10        2.45334   0.00000   0.00203   0.00070   0.00273   2.45607
   D11        0.00538   0.00000   0.00225   0.00088   0.00312   0.00851
   D12        2.17902   0.00000   0.00167   0.00062   0.00228   2.18130
   D13       -0.45931  -0.00001   0.00222   0.00084   0.00306  -0.45625
   D14        1.71433  -0.00001   0.00164   0.00057   0.00221   1.71654
   D15       -0.58047  -0.00001   0.00143   0.00074   0.00217  -0.57830
   D16        1.59317  -0.00001   0.00085   0.00047   0.00132   1.59449
   D17        0.18494   0.00000   0.00233   0.00091   0.00324   0.18818
   D18        2.35858   0.00000   0.00175   0.00065   0.00240   2.36098
   D19        0.13036  -0.00001   0.00200   0.00076   0.00276   0.13313
   D20        2.30400  -0.00001   0.00142   0.00050   0.00192   2.30592
   D21        2.32956   0.00001   0.00326   0.00133   0.00458   2.33414
   D22       -1.77999   0.00001   0.00268   0.00106   0.00374  -1.77625
   D23        2.07766   0.00001   0.00339   0.00136   0.00475   2.08241
   D24       -2.03188   0.00001   0.00281   0.00109   0.00391  -2.02798
   D25        1.64002   0.00000   0.00342   0.00131   0.00473   1.64475
   D26       -2.46953   0.00000   0.00284   0.00104   0.00389  -2.46564
   D27        1.33324   0.00000   0.00352   0.00130   0.00483   1.33806
   D28       -2.77631   0.00000   0.00294   0.00104   0.00398  -2.77233
   D29        2.27121   0.00001   0.00325   0.00144   0.00469   2.27590
   D30       -1.83833   0.00001   0.00267   0.00118   0.00384  -1.83449
   D31       -1.88607  -0.00001   0.00498   0.00152   0.00650  -1.87957
   D32        0.28757  -0.00001   0.00440   0.00126   0.00565   0.29322
   D33       -2.21166   0.00000   0.00472   0.00157   0.00629  -2.20537
   D34       -0.03802   0.00001   0.00413   0.00131   0.00545  -0.03258
   D35       -2.60004   0.00002   0.00545   0.00170   0.00716  -2.59288
   D36       -0.42640   0.00002   0.00487   0.00144   0.00632  -0.42009
   D37       -2.88418   0.00001   0.00491   0.00172   0.00663  -2.87754
   D38       -0.71054   0.00001   0.00433   0.00146   0.00579  -0.70475
   D39       -2.19100  -0.00001   0.00302   0.00129   0.00431  -2.18669
   D40       -0.01736  -0.00001   0.00243   0.00103   0.00346  -0.01390
   D41       -2.43456  -0.00001   0.00249   0.00014   0.00263  -2.43193
   D42       -0.26092  -0.00001   0.00191  -0.00012   0.00179  -0.25913
   D43        1.30239  -0.00001  -0.00353  -0.00138  -0.00492   1.29747
   D44       -1.97687   0.00000   0.00140   0.00061   0.00200  -1.97487
   D45        2.46964   0.00000  -0.00178  -0.00085  -0.00263   2.46701
   D46       -0.80962   0.00001   0.00315   0.00115   0.00429  -0.80533
   D47        2.93535   0.00001  -0.00070  -0.00056  -0.00126   2.93408
   D48       -0.34392   0.00001   0.00422   0.00144   0.00566  -0.33826
   D49        2.84385   0.00000  -0.00152  -0.00054  -0.00206   2.84179
   D50       -0.43542   0.00000   0.00341   0.00145   0.00486  -0.43055
   D51        2.03755   0.00000  -0.00048  -0.00033  -0.00081   2.03674
   D52       -1.24171   0.00000   0.00445   0.00167   0.00611  -1.23560
   D53        1.16460  -0.00001   0.00036  -0.00030   0.00006   1.16466
   D54       -2.11466   0.00000   0.00529   0.00170   0.00698  -2.10768
   D55        1.03606  -0.00001  -0.00199  -0.00079  -0.00278   1.03328
   D56       -2.24320  -0.00001   0.00294   0.00121   0.00415  -2.23906
   D57        2.02755  -0.00001  -0.00121  -0.00060  -0.00182   2.02574
   D58       -1.25171   0.00000   0.00371   0.00140   0.00511  -1.24660
   D59        1.84810  -0.00001  -0.00172  -0.00083  -0.00255   1.84554
   D60       -1.43117   0.00000   0.00320   0.00117   0.00437  -1.42680
   D61       -2.30758   0.00000  -0.00040  -0.00030  -0.00070  -2.30828
   D62        0.69635   0.00001   0.00452   0.00170   0.00622   0.70256
   D63       -2.43440   0.00000  -0.00108  -0.00049  -0.00157  -2.43597
   D64        0.56952   0.00000   0.00385   0.00151   0.00535   0.57487
   D65       -2.83476   0.00000  -0.00121  -0.00054  -0.00175  -2.83651
   D66        0.16916   0.00000   0.00372   0.00146   0.00517   0.17434
   D67       -3.01093  -0.00001  -0.00122  -0.00055  -0.00177  -3.01270
   D68       -0.00701   0.00000   0.00371   0.00144   0.00515  -0.00186
   D69       -2.15151   0.00000  -0.00188  -0.00069  -0.00257  -2.15409
   D70        0.85241   0.00000   0.00304   0.00131   0.00435   0.85676
   D71       -0.20521  -0.00001  -0.00131  -0.00050  -0.00181  -0.20702
   D72        2.79871  -0.00001   0.00362   0.00150   0.00511   2.80382
   D73       -0.59986   0.00000  -0.00064  -0.00035  -0.00099  -0.60085
   D74        2.40406   0.00001   0.00429   0.00165   0.00593   2.40999
   D75       -0.80726   0.00001   0.00153  -0.00004   0.00149  -0.80577
   D76        2.19666   0.00002   0.00646   0.00196   0.00841   2.20508
   D77       -1.14437   0.00002   0.00158   0.00009   0.00166  -1.14271
   D78        1.85955   0.00002   0.00650   0.00208   0.00859   1.86814
   D79       -0.85144   0.00000  -0.00201  -0.00070  -0.00272  -0.85416
   D80        2.15248   0.00001   0.00291   0.00129   0.00421   2.15669
   D81       -1.15660   0.00001  -0.00228  -0.00108  -0.00336  -1.15996
   D82        1.84732   0.00002   0.00264   0.00092   0.00356   1.85089
   D83       -1.50088  -0.00001  -0.00138  -0.00034  -0.00172  -1.50260
   D84       -2.59224   0.00000  -0.00061  -0.00006  -0.00066  -2.59290
   D85       -2.94204   0.00002   0.00106   0.00052   0.00158  -2.94046
   D86        0.73285   0.00000  -0.00008   0.00019   0.00011   0.73297
   D87        0.31444   0.00000  -0.00021   0.00018  -0.00004   0.31440
   D88       -0.06222   0.00000  -0.00004   0.00026   0.00022  -0.06201
   D89       -0.39336  -0.00001  -0.00056   0.00014  -0.00042  -0.39378
   D90        0.19242  -0.00001  -0.00039   0.00010  -0.00029   0.19213
   D91       -0.03750  -0.00001  -0.00071  -0.00004  -0.00075  -0.03826
   D92        2.38156   0.00001   0.00063   0.00053   0.00116   2.38272
   D93        2.03546   0.00000   0.00038   0.00038   0.00075   2.03621
   D94        1.63953   0.00000   0.00048   0.00041   0.00089   1.64041
   D95        1.35379  -0.00001   0.00044   0.00037   0.00081   1.35460
   D96        2.04215   0.00000  -0.00009   0.00023   0.00013   2.04228
   D97       -1.99258  -0.00002   0.00171   0.00069   0.00240  -1.99018
   D98       -2.49725   0.00000   0.00111   0.00065   0.00177  -2.49548
   D99       -2.72561   0.00001   0.00246   0.00068   0.00315  -2.72246
   D100      -3.04225   0.00001   0.00227   0.00065   0.00293  -3.03933
   D101      -2.92117   0.00000  -0.00153   0.00000  -0.00153  -2.92270
   D102       2.83067   0.00003  -0.00186   0.00010  -0.00175   2.82892
   D103      -2.88374   0.00000  -0.00020  -0.00009  -0.00029  -2.88403
   D104       1.21005   0.00000  -0.00008  -0.00003  -0.00011   1.20994
   D105       2.84471   0.00000  -0.00057  -0.00039  -0.00096   2.84375
   D106       0.65531   0.00000  -0.00045  -0.00033  -0.00078   0.65453
   D107       2.35192   0.00000  -0.00003  -0.00028  -0.00032   2.35161
   D108       0.16253   0.00000   0.00009  -0.00023  -0.00014   0.16239
   D109       1.77758  -0.00001   0.00048  -0.00022   0.00027   1.77785
   D110      -0.41181  -0.00001   0.00060  -0.00017   0.00044  -0.41137
   D111       2.61283  -0.00001  -0.00018  -0.00014  -0.00032   2.61251
   D112       0.42343  -0.00001  -0.00006  -0.00008  -0.00014   0.42329
   D113       2.28472  -0.00001  -0.00053  -0.00025  -0.00079   2.28394
   D114       0.09533  -0.00001  -0.00041  -0.00020  -0.00061   0.09471
   D115      -1.60966   0.00001   0.00012   0.00003   0.00015  -1.60951
   D116       2.48413   0.00001   0.00024   0.00008   0.00032   2.48445
   D117      -1.77545   0.00001   0.00136   0.00023   0.00159  -1.77387
   D118       2.31834   0.00001   0.00148   0.00028   0.00176   2.32010
   D119      -2.73537   0.00001   0.00019  -0.00001   0.00018  -2.73519
   D120       1.35842   0.00001   0.00031   0.00004   0.00035   1.35877
   D121      -2.70826   0.00001   0.00050   0.00015   0.00066  -2.70760
   D122       1.38553   0.00001   0.00062   0.00021   0.00083   1.38636
   D123       1.36815   0.00000  -0.00037  -0.00028  -0.00064   1.36751
   D124      -0.82124   0.00000  -0.00025  -0.00022  -0.00047  -0.82171
   D125       1.33426   0.00000  -0.00021  -0.00026  -0.00047   1.33379
   D126      -0.85514   0.00000  -0.00009  -0.00020  -0.00030  -0.85543
   D127       1.68892   0.00000  -0.00019  -0.00024  -0.00043   1.68849
   D128      -0.50047   0.00000  -0.00007  -0.00018  -0.00026  -0.50073
   D129       1.81351   0.00001  -0.00040  -0.00027  -0.00067   1.81284
   D130      -0.37589   0.00001  -0.00028  -0.00022  -0.00050  -0.37638
   D131       0.93015   0.00000   0.00018  -0.00016   0.00002   0.93016
   D132      -1.25925   0.00000   0.00030  -0.00010   0.00019  -1.25906
   D133      -0.89159   0.00001  -0.00007  -0.00030  -0.00037  -0.89196
   D134      -3.08099   0.00001   0.00005  -0.00024  -0.00019  -3.08118
   D135      -0.45448  -0.00001  -0.00143  -0.00058  -0.00201  -0.45649
   D136      -2.64388  -0.00001  -0.00131  -0.00053  -0.00183  -2.64571
   D137      -0.10829  -0.00002  -0.00410  -0.00103  -0.00514  -0.11343
   D138      -2.29769  -0.00002  -0.00398  -0.00098  -0.00496  -2.30265
   D139       0.28571  -0.00002  -0.00304  -0.00104  -0.00409   0.28162
   D140      -1.90369  -0.00002  -0.00292  -0.00098  -0.00391  -1.90760
   D141      -0.26997   0.00000  -0.00013  -0.00029  -0.00042  -0.27039
   D142      -2.45936   0.00000  -0.00001  -0.00023  -0.00025  -2.45961
   D143      -0.01679   0.00000  -0.00004   0.00027   0.00022  -0.01657
   D144      -2.20619   0.00000   0.00008   0.00032   0.00040  -2.20579
   D145      -2.47998   0.00001  -0.00167  -0.00012  -0.00179  -2.48177
   D146      -2.71990   0.00001  -0.00224  -0.00041  -0.00264  -2.72255
   D147      -2.38547   0.00000  -0.00439  -0.00086  -0.00525  -2.39072
   D148       3.01949  -0.00001  -0.00239  -0.00049  -0.00288   3.01661
   D149       2.64527   0.00000  -0.00240  -0.00057  -0.00297   2.64230
   D150       1.52211   0.00001  -0.00208  -0.00027  -0.00236   1.51976
   D151       2.62036   0.00000  -0.00178  -0.00023  -0.00200   2.61835
   D152       2.98697   0.00001  -0.00150  -0.00011  -0.00160   2.98536
   D153       1.25685   0.00000  -0.00303  -0.00083  -0.00386   1.25300
   D154       1.29409   0.00000  -0.00254  -0.00062  -0.00316   1.29093
   D155       1.67438   0.00000  -0.00231  -0.00051  -0.00283   1.67155
   D156       1.74236   0.00001  -0.00239  -0.00048  -0.00287   1.73949
   D157       0.93264   0.00000  -0.00209  -0.00047  -0.00255   0.93009
   D158      -0.97335   0.00001  -0.00064  -0.00028  -0.00091  -0.97426
   D159      -0.63964   0.00000  -0.00174  -0.00042  -0.00216  -0.64180
   D160      -0.64551  -0.00001  -0.00399  -0.00059  -0.00458  -0.65010
   D161      -0.32415  -0.00002  -0.00500  -0.00084  -0.00584  -0.32999
   D162      -0.26858  -0.00001  -0.00131  -0.00024  -0.00155  -0.27013
   D163       0.01759  -0.00002  -0.00150  -0.00031  -0.00181   0.01578
   D164      -1.26973   0.00000   0.00061   0.00000   0.00060  -1.26913
   D165       1.68589   0.00000  -0.00057  -0.00022  -0.00079   1.68509
   D166      -1.63603   0.00000   0.00041  -0.00018   0.00023  -1.63580
   D167       1.31959   0.00000  -0.00077  -0.00040  -0.00116   1.31843
   D168      -1.70732   0.00000  -0.00021  -0.00033  -0.00054  -1.70786
   D169       1.24830   0.00000  -0.00139  -0.00055  -0.00193   1.24636
   D170      -1.97920   0.00002   0.00205   0.00034   0.00239  -1.97681
   D171       0.97642   0.00002   0.00087   0.00012   0.00099   0.97741
   D172      -1.98695  -0.00001   0.00047  -0.00012   0.00035  -1.98660
   D173       0.96867  -0.00001  -0.00071  -0.00034  -0.00105   0.96762
   D174      -2.28876  -0.00001   0.00052  -0.00015   0.00036  -2.28840
   D175       0.66685  -0.00001  -0.00066  -0.00037  -0.00103   0.66582
   D176       1.98107   0.00000   0.00082   0.00002   0.00084   1.98191
   D177      -1.34650   0.00000  -0.00036  -0.00019  -0.00056  -1.34706
   D178       0.83492   0.00000   0.00098   0.00010   0.00107   0.83599
   D179      -2.49265   0.00000  -0.00020  -0.00012  -0.00032  -2.49298
   D180       0.36795   0.00000   0.00174   0.00024   0.00199   0.36994
   D181      -2.95962   0.00000   0.00057   0.00003   0.00059  -2.95903
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   D183      -0.12313   0.00001  -0.00032  -0.00022  -0.00054  -0.12367
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   D199      -2.19037  -0.00001   0.00005  -0.00025  -0.00020  -2.19057
   D200       1.48019  -0.00002   0.00088   0.00021   0.00108   1.48127
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   D209      -1.04140  -0.00001   0.00049   0.00004   0.00054  -1.04086
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   D213       0.01007   0.00001   0.00034   0.00033   0.00067   0.01074
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   D222      -2.90060  -0.00001  -0.00040   0.00014  -0.00026  -2.90086
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   D224       3.05348  -0.00001  -0.00069   0.00005  -0.00065   3.05283
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   D232      -0.01350   0.00000  -0.00354  -0.00025  -0.00378  -0.01729
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   D237      -2.14119  -0.00001   0.00003  -0.00017  -0.00014  -2.14133
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   D239      -2.24325   0.00000   0.00086  -0.00016   0.00070  -2.24255
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   D241      -2.80240   0.00001  -0.00113  -0.00028  -0.00140  -2.80380
   D242      -0.78237   0.00003  -0.00132   0.00037  -0.00094  -0.78332
   D243      -2.99907   0.00003  -0.00087   0.00029  -0.00059  -2.99966
   D244      -2.90516  -0.00001  -0.00171  -0.00053  -0.00224  -2.90740
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   D246      -3.11469  -0.00001  -0.00094  -0.00030  -0.00123  -3.11593
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   D249      -0.59815   0.00000   0.00059   0.00015   0.00074  -0.59741
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   D251      -0.83679  -0.00001   0.00017  -0.00002   0.00016  -0.83663
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   D264      -1.32347   0.00000  -0.00070  -0.00013  -0.00084  -1.32431
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   D266      -1.56791   0.00000  -0.00069  -0.00009  -0.00078  -1.56869
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   D269      -1.38759   0.00000  -0.00030   0.00004  -0.00026  -1.38785
   D270       0.86052   0.00001  -0.00107  -0.00025  -0.00132   0.85920
   D271      -2.50622   0.00001  -0.00051  -0.00008  -0.00059  -2.50681
   D272       1.10388   0.00001  -0.00700  -0.00114  -0.00814   1.09574
   D273      -2.26286   0.00001  -0.00645  -0.00097  -0.00741  -2.27027
   D274       1.17770  -0.00001  -0.00348  -0.00074  -0.00423   1.17347
   D275      -2.18904   0.00000  -0.00293  -0.00057  -0.00350  -2.19254
   D276       1.59876  -0.00001  -0.00144  -0.00055  -0.00199   1.59677
   D277      -1.76798  -0.00001  -0.00089  -0.00038  -0.00126  -1.76924
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   D279      -1.78239   0.00000  -0.00010  -0.00031  -0.00041  -1.78280
   D280       0.82422   0.00001  -0.00189  -0.00057  -0.00245   0.82176
   D281      -2.54252   0.00001  -0.00133  -0.00040  -0.00173  -2.54425
   D282       0.79103   0.00002  -0.00155   0.00034  -0.00120   0.78982
   D283      -2.57572   0.00002  -0.00099   0.00051  -0.00048  -2.57619
   D284       1.62120  -0.00001  -0.00254  -0.00087  -0.00340   1.61780
   D285      -2.59111  -0.00001  -0.00395  -0.00127  -0.00521  -2.59633
   D286       1.64975  -0.00001  -0.00165  -0.00044  -0.00210   1.64766
   D287      -2.56256  -0.00001  -0.00306  -0.00084  -0.00391  -2.56647
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   D289      -2.89949   0.00000  -0.00178  -0.00048  -0.00225  -2.90175
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   D291      -2.98538  -0.00001  -0.00327  -0.00095  -0.00422  -2.98960
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   D293      -2.17951   0.00000  -0.00287  -0.00066  -0.00354  -2.18305
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   D401      -0.29064  -0.00001   0.00171   0.00070   0.00241  -0.28823
   D402      -1.49273   0.00000  -0.00168  -0.00012  -0.00180  -1.49453
   D403       2.02853   0.00000  -0.00227   0.00040  -0.00188   2.02665
   D404      -2.59815  -0.00001  -0.00063  -0.00026  -0.00089  -2.59904
   D405       0.92311  -0.00001  -0.00123   0.00026  -0.00097   0.92215
   D406      -2.96946  -0.00001   0.00029  -0.00091  -0.00062  -2.97008
   D407       0.55180  -0.00001  -0.00030  -0.00039  -0.00070   0.55111
   D408       1.83702   0.00001   0.00310   0.00174   0.00484   1.84186
   D409       2.33777   0.00000   0.00335   0.00188   0.00522   2.34299
   D410       2.55631   0.00001   0.00365   0.00199   0.00564   2.56195
   D411       2.79504  -0.00001   0.00224   0.00156   0.00380   2.79884
   D412       2.77918   0.00000   0.00420   0.00196   0.00616   2.78534
   D413      -3.02162  -0.00001   0.00417   0.00218   0.00635  -3.01527
   D414      -0.82803   0.00001   0.00293   0.00179   0.00471  -0.82331
   D415      -0.45221   0.00001   0.00297   0.00180   0.00477  -0.44744
   D416      -0.13389   0.00001   0.00301   0.00176   0.00477  -0.12912
   D417       0.17322   0.00001   0.00304   0.00177   0.00481   0.17802
   D418      -0.32892   0.00001   0.00281   0.00183   0.00464  -0.32428
   D419      -0.01979   0.00002   0.00268   0.00183   0.00451  -0.01528
   D420      -2.62306  -0.00001   0.00243   0.00155   0.00399  -2.61907
   D421      -2.24280   0.00000   0.00254   0.00167   0.00421  -2.23859
   D422      -2.00107   0.00000   0.00281   0.00178   0.00460  -1.99647
   D423      -1.68705   0.00000   0.00283   0.00181   0.00464  -1.68240
   D424      -2.02605   0.00000   0.00225   0.00157   0.00382  -2.02223
   D425       1.35267   0.00000  -0.00069   0.00136   0.00067   1.35334
   D426       2.49302  -0.00001  -0.00147   0.00101  -0.00046   2.49257
   D427       2.94634  -0.00001  -0.00114   0.00105  -0.00008   2.94625
   D428      -3.06781   0.00003   0.00019   0.00007   0.00026  -3.06755
   D429       0.01880   0.00003   0.00122   0.00004   0.00126   0.02007
   D430       0.04440   0.00003   0.00008   0.00003   0.00011   0.04451
   D431       3.13102   0.00003   0.00111   0.00000   0.00111   3.13213
   D432      -0.05567  -0.00004  -0.00567  -0.00208  -0.00775  -0.06342
   D433       2.04035  -0.00003  -0.00501  -0.00196  -0.00697   2.03338
   D434      -2.15512  -0.00005  -0.00565  -0.00191  -0.00756  -2.16268
   D435       3.13816  -0.00005  -0.00669  -0.00205  -0.00874   3.12942
   D436      -1.04901  -0.00003  -0.00602  -0.00193  -0.00796  -1.05696
   D437       1.03871  -0.00006  -0.00667  -0.00188  -0.00854   1.03017
   D438      -2.33904  -0.00002  -0.00001   0.00034   0.00034  -2.33871
   D439      -0.24744  -0.00003   0.00053   0.00026   0.00079  -0.24666
   D440       1.86045  -0.00001   0.00053   0.00029   0.00082   1.86128
   D441       0.75017  -0.00002   0.00101   0.00031   0.00133   0.75149
   D442       2.84176  -0.00002   0.00155   0.00023   0.00178   2.84354
   D443      -1.33352  -0.00001   0.00155   0.00026   0.00181  -1.33171
   D444      -0.00891   0.00001   0.00111   0.00003   0.00113  -0.00778
   D445       3.11821   0.00001   0.00060  -0.00003   0.00058   3.11879
   D446      -3.12974   0.00001   0.00113   0.00017   0.00130  -3.12844
   D447      -0.00262   0.00001   0.00063   0.00012   0.00075  -0.00188
   D448       2.44418  -0.00001  -0.00446  -0.00052  -0.00498   2.43921
   D449      -1.75349   0.00000  -0.00449  -0.00060  -0.00510  -1.75859
   D450       0.35441   0.00000  -0.00462  -0.00063  -0.00524   0.34916
   D451      -0.68363  -0.00001  -0.00398  -0.00047  -0.00445  -0.68808
   D452       1.40188   0.00000  -0.00401  -0.00055  -0.00457   1.39731
   D453      -2.77340   0.00000  -0.00414  -0.00058  -0.00472  -2.77812
   D454       2.06965  -0.00001   0.00034  -0.00031   0.00004   2.06968
   D455      -2.12850   0.00000   0.00022  -0.00027  -0.00006  -2.12856
   D456      -0.03504  -0.00001   0.00040  -0.00030   0.00010  -0.03494
   D457      -1.08574  -0.00001  -0.00013  -0.00035  -0.00049  -1.08622
   D458       0.99930   0.00000  -0.00026  -0.00032  -0.00058   0.99872
   D459       3.09276  -0.00001  -0.00008  -0.00035  -0.00042   3.09234
   D460      -3.07732   0.00000  -0.00063  -0.00005  -0.00067  -3.07799
   D461      -0.03038   0.00000  -0.00155   0.00045  -0.00110  -0.03147
   D462       0.07817   0.00001  -0.00037  -0.00050  -0.00087   0.07730
   D463       3.12511   0.00002  -0.00129   0.00000  -0.00129   3.12382
   D464       1.92675   0.00000  -0.00047   0.00067   0.00021   1.92695
   D465      -2.27406   0.00001  -0.00031   0.00071   0.00040  -2.27365
   D466      -0.18091   0.00001  -0.00052   0.00074   0.00022  -0.18068
   D467      -1.12392  -0.00001   0.00038   0.00019   0.00056  -1.12336
   D468       0.95846   0.00000   0.00053   0.00023   0.00076   0.95922
   D469       3.05161   0.00000   0.00033   0.00025   0.00058   3.05219
   D470      -1.61777  -0.00001  -0.00631  -0.00206  -0.00837  -1.62614
   D471       0.48662  -0.00003  -0.00640  -0.00205  -0.00844   0.47818
   D472       2.57689  -0.00001  -0.00556  -0.00199  -0.00755   2.56934
   D473       1.43332  -0.00001  -0.00717  -0.00158  -0.00875   1.42457
   D474      -2.74548  -0.00002  -0.00726  -0.00157  -0.00882  -2.75430
   D475      -0.65520   0.00000  -0.00642  -0.00151  -0.00793  -0.66313
   D476      -0.00227   0.00010   0.00223   0.00108   0.00331   0.00104
   D477      -3.10928   0.00007  -0.00456   0.00021  -0.00435  -3.11363
   D478       3.11519   0.00009   0.00214   0.00136   0.00350   3.11869
   D479       0.00818   0.00007  -0.00465   0.00049  -0.00417   0.00401
   D480      -0.29201   0.00003  -0.00938  -0.00160  -0.01098  -0.30299
   D481       1.81628   0.00000  -0.00971  -0.00176  -0.01146   1.80482
   D482      -2.38258   0.00000  -0.00826  -0.00171  -0.00998  -2.39256
   D483       2.81657   0.00005  -0.00292  -0.00076  -0.00368   2.81289
   D484      -1.35832   0.00002  -0.00325  -0.00092  -0.00417  -1.36249
   D485       0.72600   0.00002  -0.00181  -0.00087  -0.00268   0.72332
   D486       0.02157   0.00001   0.00578   0.00317   0.00895   0.03052
   D487       2.11384   0.00002   0.00445   0.00322   0.00768   2.12152
   D488      -2.08335   0.00001   0.00565   0.00302   0.00867  -2.07468
   D489      -3.08709  -0.00001  -0.00064   0.00233   0.00169  -3.08540
   D490      -0.99482   0.00000  -0.00197   0.00239   0.00042  -0.99440
   D491       1.09118  -0.00001  -0.00077   0.00218   0.00141   1.09259
         Item               Value     Threshold  Converged?
 Maximum Force            0.000095     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.031318     0.001800     NO 
 RMS     Displacement     0.003695     0.001200     NO 
 Predicted change in Energy=-2.562436D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:16:36 2016, MaxMem=  2952790016 cpu:         5.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.866322   -0.602030    1.686040
      2          6           0       -2.128359    1.020839   -1.407368
      3          8           0       -2.612504    0.032979   -1.985659
      4          7           0       -0.853169    1.119814   -0.940899
      5          1           0       -2.728983    1.927058   -1.190448
      6          6           0       -0.400522    2.291757   -0.190674
      7          1           0       -1.208012    3.035728   -0.148040
      8          1           0       -0.122525    1.995027    0.833642
      9          1           0        0.480861    2.736829   -0.680567
     10          6           0        0.115623    0.034081   -1.104977
     11          1           0        0.639136   -0.133124   -0.150685
     12          1           0       -0.411431   -0.882693   -1.399616
     13          1           0        0.861299    0.296942   -1.873428
     14          6           0       -1.980930   -4.031622    2.626968
     15          8           0       -2.140908   -3.882114    3.850383
     16          7           0       -2.898386   -3.732608    1.667614
     17          1           0       -1.033432   -4.416516    2.200727
     18          6           0       -4.217512   -3.192820    2.006801
     19          1           0       -4.480807   -2.411287    1.276593
     20          1           0       -4.983785   -3.985050    1.970168
     21          1           0       -4.186484   -2.759334    3.014988
     22          6           0       -2.610834   -3.916356    0.244945
     23          1           0       -3.310956   -4.645950   -0.194122
     24          1           0       -2.726858   -2.956562   -0.285453
     25          1           0       -1.580167   -4.276414    0.119317
     26          6           0        1.532571    0.369339    2.614344
     27          8           0        1.370475    1.387520    3.308061
     28          7           0        1.144881   -0.889244    2.957042
     29          1           0        2.012407    0.407945    1.616511
     30          6           0        1.448253   -2.042263    2.109139
     31          1           0        2.197012   -2.690096    2.595360
     32          1           0        0.532936   -2.632605    1.944664
     33          1           0        1.834612   -1.695776    1.140907
     34          6           0        0.508931   -1.161965    4.248540
     35          1           0        1.260639   -1.460798    4.999048
     36          1           0       -0.011614   -0.259560    4.593312
     37          1           0       -0.213361   -1.981806    4.124817
     38          6           0       -4.556241    1.350591    2.903750
     39          8           0       -4.784482    2.041162    1.896335
     40          7           0       -3.454691    1.445797    3.697961
     41          1           0       -5.248702    0.551686    3.238310
     42          6           0       -2.391168    2.416081    3.424752
     43          1           0       -2.480488    2.770030    2.389682
     44          1           0       -2.461667    3.271717    4.117005
     45          1           0       -1.413625    1.929301    3.563387
     46          6           0       -3.261305    0.560064    4.846969
     47          1           0       -4.096029   -0.152345    4.907411
     48          1           0       -2.317801    0.000352    4.734517
     49          1           0       -3.210807    1.148429    5.777823
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.503076   0.000000
     3  O    3.800184   1.242854   0.000000
     4  N    3.300308   1.361433   2.316894   0.000000
     5  H    3.926150   1.108619   2.057538   2.057328   0.000000
     6  C    3.747616   2.465968   3.635508   1.463276   2.560134
     7  H    4.126803   2.548082   3.790244   2.103631   2.151538
     8  H    3.242239   3.161415   4.242416   2.109226   3.300786
     9  H    4.717847   3.206383   4.310798   2.112379   3.349449
    10  C    3.481740   2.469937   2.866755   1.464342   3.417960
    11  H    3.141775   3.251140   3.737363   2.102681   4.082852
    12  H    3.422974   2.563461   2.454918   2.101330   3.648218
    13  H    4.573606   3.111157   3.485626   2.118049   4.001733
    14  C    3.558172   6.467223   6.180307   6.367010   7.116047
    15  O    3.939382   7.189093   7.043419   7.045136   7.713773
    16  N    3.296364   5.713467   5.254310   5.876500   6.342636
    17  H    3.938136   6.616801   6.310096   6.368145   7.390257
    18  C    3.513286   5.811715   5.377878   6.213418   6.217015
    19  H    3.205713   4.951479   4.484114   5.526817   5.289273
    20  H    4.609136   6.679831   6.116870   7.183032   7.072952
    21  H    3.435582   6.171128   5.939773   6.465897   6.463147
    22  C    3.689961   5.228653   4.535730   5.464305   6.018289
    23  H    4.687779   5.914643   5.058638   6.312087   6.673514
    24  H    3.189221   4.175717   3.441094   4.534001   4.966766
    25  H    4.004698   5.540052   4.905865   5.547239   6.443472
    26  C    3.654829   5.477320   6.201195   4.346805   5.921467
    27  O    4.131115   5.883160   6.761833   4.803115   6.110093
    28  N    3.281049   5.780189   6.276841   4.818968   6.335617
    29  H    4.008668   5.163858   5.874184   3.906229   5.715549
    30  C    3.638639   5.877123   6.128927   4.959637   6.640187
    31  H    4.658065   6.964317   7.178602   6.026952   7.740535
    32  H    3.153817   5.627278   5.696189   4.932384   6.423361
    33  H    3.897481   5.438644   5.704459   4.414253   6.275870
    34  C    3.538610   6.611296   7.073648   5.830275   7.043347
    35  H    4.635881   7.660679   8.125192   6.812541   8.105832
    36  H    3.465466   6.490624   7.080471   5.765274   6.754056
    37  H    3.253259   6.579375   6.866817   5.974185   7.061134
    38  C    3.539945   4.958738   5.424070   5.342970   4.520359
    39  O    3.942885   4.360103   4.880591   4.934977   3.710300
    40  N    3.280904   5.291892   5.916829   5.328527   4.965360
    41  H    3.896293   5.615956   5.874389   6.091737   5.277739
    42  C    3.522439   5.036383   5.916141   4.806730   4.653314
    43  H    3.499014   4.195385   5.162605   4.057603   3.686419
    44  H    4.611935   5.974634   6.910477   5.727158   5.481663
    45  H    3.183866   5.103387   5.985421   4.610636   4.932456
    46  C    3.645259   6.372802   6.883572   6.293795   6.213086
    47  H    3.943481   6.717479   7.053340   6.807148   6.586093
    48  H    3.140049   6.228967   6.726714   5.967301   6.243915
    49  H    4.649132   7.267389   7.865993   7.120428   7.028173
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098795   0.000000
     8  H    1.102069   1.795840   0.000000
     9  H    1.102235   1.795889   1.790859   0.000000
    10  C    2.489871   3.417254   2.767719   2.760140   0.000000
    11  H    2.638662   3.667913   2.465371   2.922749   1.101224
    12  H    3.396880   4.189869   3.654063   3.796598   1.097758
    13  H    2.898817   3.841869   3.343595   2.742389   1.102563
    14  C    7.100840   7.631875   6.556691   7.925411   5.903634
    15  O    7.581278   8.044515   6.907632   8.438815   6.707019
    16  N    6.781263   7.208629   6.419246   7.667260   5.564122
    17  H    7.149847   7.815570   6.618652   7.859090   5.661786
    18  C    7.034124   7.245360   6.712599   8.028537   6.234750
    19  H    6.396892   6.512353   6.213408   7.412944   5.725283
    20  H    8.066837   8.248309   7.790050   9.059383   7.184281
    21  H    7.079781   7.242844   6.624046   8.102411   6.579165
    22  C    6.604235   7.103085   6.440706   7.394595   4.986162
    23  H    7.523458   7.964464   7.438076   8.313840   5.871439
    24  H    5.741574   6.183309   5.705538   6.546776   4.206573
    25  H    6.680459   7.326486   6.478113   7.353450   4.791134
    26  C    3.911607   4.717117   2.924569   4.191366   3.994181
    27  O    4.024329   4.616256   2.953110   4.303627   4.783446
    28  N    4.734464   5.530193   3.799231   5.178950   4.290908
    29  H    3.554841   4.515527   2.773021   3.611911   3.338272
    30  C    5.243171   6.159269   4.515965   5.617653   4.051869
    31  H    6.271207   7.204547   5.516727   6.567221   5.044384
    32  H    5.447968   6.288108   4.804058   5.977071   4.072551
    33  H    4.761234   5.771141   4.188892   4.979799   3.315316
    34  C    5.697537   6.316521   4.693278   6.284702   5.499578
    35  H    6.616218   7.266740   5.586276   7.105362   6.387867
    36  H    5.435715   5.896670   4.385269   6.085613   5.707268
    37  H    6.076334   6.665005   5.162876   6.770464   5.614515
    38  C    5.266047   4.833606   4.935431   6.335723   6.295189
    39  O    4.861842   4.237897   4.781766   5.903238   6.086647
    40  N    5.016480   4.729395   4.428240   6.027176   6.148845
    41  H    6.187942   5.827951   5.843231   7.277386   6.921563
    42  C    4.129096   3.814271   3.469564   5.020466   5.698804
    43  H    3.348617   2.851285   2.929484   4.265808   5.141775
    44  H    4.874909   4.451736   4.228711   5.653431   6.662868
    45  H    3.905217   3.878292   3.020391   4.717237   5.265366
    46  C    6.046543   5.940963   5.293189   7.021095   6.863378
    47  H    6.754323   6.637925   6.082396   7.779509   7.343131
    48  H    5.760555   5.855297   4.900488   6.681613   6.326324
    49  H    6.695360   6.533677   5.890597   7.606723   7.725272
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795932   0.000000
    13  H    1.789456   1.798855   0.000000
    14  C    5.456958   5.347192   6.860634   0.000000
    15  O    6.147529   6.288888   7.696737   1.242856   0.000000
    16  N    5.364378   4.869790   6.550685   1.360696   2.315299
    17  H    5.164694   5.083037   6.511945   1.107961   2.057536
    18  C    6.132171   5.605945   7.282097   2.467893   2.861155
    19  H    5.782816   5.104754   6.767218   3.270839   3.776620
    20  H    7.138109   6.471978   8.202055   3.074198   3.409950
    21  H    6.340747   6.104223   7.662738   2.575606   2.478488
    22  C    5.003166   4.092074   5.856201   2.466597   3.636095
    23  H    5.997559   4.901282   6.682811   3.178823   4.279075
    24  H    4.395438   3.302044   5.097237   3.192861   4.278449
    25  H    4.707978   3.897492   5.554041   2.551244   3.793515
    26  C    2.948912   4.632343   4.538275   5.631457   5.753007
    27  O    3.848395   5.521891   5.319440   6.408035   6.355546
    28  N    3.238126   4.626296   4.982056   4.444569   4.533403
    29  H    2.302523   4.078941   3.676553   6.056197   6.375329
    30  C    3.066967   4.136954   4.655881   3.998124   4.393070
    31  H    4.062739   5.102011   5.538645   4.388154   4.670496
    32  H    3.263307   3.890788   4.823680   2.956740   3.513186
    33  H    2.353562   3.487130   3.742255   4.714119   5.284514
    34  C    4.519807   5.729461   6.303258   4.130840   3.818296
    35  H    5.354320   6.638745   7.104931   4.769033   4.330441
    36  H    4.790091   6.038488   6.549076   4.687555   4.267169
    37  H    4.735430   5.636191   6.505884   3.093477   2.720647
    38  C    6.206684   6.378555   7.299407   5.973027   5.840475
    39  O    6.191401   6.207720   7.009155   6.728480   6.774363
    40  N    5.836479   6.377192   7.140589   5.772445   5.489617
    41  H    6.827949   6.853246   7.970375   5.662048   5.449000
    42  C    5.335255   6.170559   6.568105   6.509811   6.317520
    43  H    4.961232   5.655277   5.954646   6.824100   6.819089
    44  H    6.278623   7.203867   7.468379   7.469277   7.165981
    45  H    4.718237   5.791640   6.115458   6.060637   5.863775
    46  C    6.377342   7.015921   7.888525   5.258455   4.688434
    47  H    6.928672   7.340862   8.411703   4.972208   4.341772
    48  H    5.711960   6.483949   7.338908   4.562024   3.985791
    49  H    7.184125   7.967282   8.709116   6.186551   5.492364
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056695   0.000000
    18  C    1.465099   3.416637   0.000000
    19  H    2.098296   4.093821   1.101509   0.000000
    20  H    2.122300   3.980530   1.102790   1.791861   0.000000
    21  H    2.102826   3.653904   1.097868   1.797159   1.797142
    22  C    1.463023   2.561922   2.491798   2.612725   2.934623
    23  H    2.114349   3.312863   2.788816   2.919808   2.814125
    24  H    2.108587   3.343688   2.744503   2.411152   3.352512
    25  H    2.104910   2.156574   3.419410   3.637541   3.885249
    26  C    6.111926   5.446086   6.791284   6.758859   7.863750
    27  O    6.865126   6.379012   7.341553   7.266038   8.427995
    28  N    5.108361   4.214109   5.913094   6.065385   6.936749
    29  H    6.423603   5.735318   7.206228   7.086991   8.268627
    30  C    4.684600   3.435728   5.782314   5.998589   6.720480
    31  H    5.283051   3.684023   6.461057   6.812500   7.323361
    32  H    3.613963   2.387763   4.783770   5.062896   5.680138
    33  H    5.179514   4.092838   6.294372   6.357270   7.240096
    34  C    4.987904   4.143009   5.611509   5.940603   6.582607
    35  H    5.792846   4.672219   6.477931   6.908278   7.385039
    36  H    5.381005   4.903963   5.743138   5.966929   6.744082
    37  H    4.038875   3.209743   4.688899   5.148585   5.604680
    38  C    5.487753   6.794406   4.643473   4.099397   5.433548
    39  O    6.078330   7.474265   5.265760   4.505619   6.029960
    40  N    5.589960   6.516972   4.995866   4.668300   5.900635
    41  H    5.132860   6.597584   4.074468   3.635548   4.718087
    42  C    6.414919   7.072911   6.066786   5.681960   7.057759
    43  H    6.555937   7.333220   6.222494   5.664476   7.216204
    44  H    7.433089   8.051144   7.023261   6.666439   7.976883
    45  H    6.152697   6.501599   6.043250   5.785995   7.089707
    46  C    5.354161   6.060723   4.802606   4.802468   5.648095
    47  H    4.974828   5.906674   4.203901   4.293450   4.909698
    48  H    4.866001   5.251516   4.609304   4.738337   5.534666
    49  H    6.388735   6.964567   5.837851   5.877546   6.632819
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390356   0.000000
    23  H    3.824168   1.102388   0.000000
    24  H    3.614184   1.102719   1.789845   0.000000
    25  H    4.180829   1.098954   1.797341   1.794645   0.000000
    26  C    6.531210   6.414752   7.516672   6.132958   6.123505
    27  O    6.939891   7.305109   8.401420   6.969400   7.138244
    28  N    5.650138   5.533921   6.625494   5.456917   5.191482
    29  H    7.100257   6.477278   7.560320   6.115391   6.090270
    30  C    5.751958   4.843928   5.893579   4.899139   4.257012
    31  H    6.397649   5.490314   6.476441   5.710918   4.786885
    32  H    4.840928   3.797414   4.837713   3.962906   3.240247
    33  H    6.395071   5.049328   6.079696   4.942782   4.400460
    34  C    5.110789   5.774805   6.816666   5.852179   5.578046
    35  H    5.940862   6.604511   7.616672   6.787002   6.309488
    36  H    5.115615   6.247911   7.283241   6.200703   6.213863
    37  H    4.197854   4.954167   5.945250   5.168975   4.814292
    38  C    4.128024   6.212454   6.863385   5.662970   6.947897
    39  O    4.965254   6.553156   7.159523   5.828487   7.303232
    40  N    4.322626   6.433358   7.230377   5.981479   7.004586
    41  H    3.484399   5.990157   6.523180   5.575339   6.818857
    42  C    5.493268   7.089372   7.988401   6.537860   7.508203
    43  H    5.820249   7.023150   7.896992   6.325417   7.457714
    44  H    6.368910   8.165997   9.055196   7.631738   8.586783
    45  H    5.474741   6.827670   7.807219   6.356871   7.099313
    46  C    3.902629   6.452912   7.246906   6.244521   6.969105
    47  H    3.222706   6.173506   6.843571   6.058391   6.801716
    48  H    3.750283   5.965126   6.845872   5.840442   6.335211
    49  H    4.884241   7.524942   8.321597   7.338152   8.006659
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242664   0.000000
    28  N    1.360799   2.314684   0.000000
    29  H    1.107882   2.057422   2.057261   0.000000
    30  C    2.465393   3.634127   1.463020   2.562122   0.000000
    31  H    3.130812   4.221145   2.116805   3.254241   1.103059
    32  H    3.234101   4.326862   2.106821   3.397273   1.101527
    33  H    2.554788   3.797196   2.103465   2.164128   1.098544
    34  C    2.462383   2.850725   1.465189   3.413596   2.496856
    35  H    3.018305   3.314275   2.123644   3.936866   2.953790
    36  H    2.587728   2.504978   2.100325   3.661089   3.388268
    37  H    3.295101   3.811560   2.098146   4.117834   2.612964
    38  C    6.174159   5.940605   6.125560   6.759637   6.942392
    39  O    6.573864   6.348520   6.698486   6.995955   7.454303
    40  N    5.215915   4.841244   5.211280   5.941273   6.223325
    41  H    6.812360   6.672105   6.559976   7.441410   7.269993
    42  C    4.499071   3.901475   4.862876   5.166606   6.028998
    43  H    4.681713   4.193407   5.182227   5.134524   6.218671
    44  H    5.160982   4.346251   5.627282   5.871201   6.896186
    45  H    3.466156   2.847794   3.854582   4.224043   5.106712
    46  C    5.291714   4.950385   5.008672   6.186359   6.037198
    47  H    6.100119   5.900151   5.640399   6.961102   6.491624
    48  H    4.410969   4.190751   3.992614   5.351522   5.024744
    49  H    5.754495   5.210089   5.575027   6.719136   6.733988
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787697   0.000000
    33  H    1.798733   1.793888   0.000000
    34  C    2.813860   2.733350   3.420492   0.000000
    35  H    2.857566   3.351410   3.907673   1.103463   0.000000
    36  H    3.844131   3.597668   4.170176   1.097346   1.796169
    37  H    2.941227   2.394487   3.630389   1.099615   1.791202
    38  C    7.875829   6.533408   7.295955   5.811829   6.791927
    39  O    8.462547   7.079644   7.638571   6.619147   7.644216
    40  N    7.089646   5.967292   6.662186   4.776385   5.689944
    41  H    8.146238   6.726110   7.721626   6.091592   7.037174
    42  C    6.914646   6.019159   6.323016   4.678847   5.553764
    43  H    7.192655   6.202195   6.334267   5.277552   6.221313
    44  H    7.717636   6.967620   7.210489   5.338473   6.085250
    45  H    5.942441   5.217312   5.436969   3.704265   4.550339
    46  C    6.739919   5.745674   6.692688   4.187861   4.955299
    47  H    7.168551   6.029666   7.193138   4.760158   5.514920
    48  H    5.674331   4.779377   5.747470   3.094764   3.874296
    49  H    7.355735   6.557814   7.419348   4.638218   5.235302
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796196   0.000000
    38  C    5.108898   5.608608   0.000000
    39  O    5.945357   6.484254   1.242525   0.000000
    40  N    3.945209   4.736759   1.361340   2.317036   0.000000
    41  H    5.470031   5.706061   1.108910   2.057896   2.056498
    42  C    3.766546   4.957252   2.468654   2.864363   1.465325
    43  H    4.486618   5.543510   2.566675   2.466379   2.101014
    44  H    4.324298   5.714407   3.090300   3.441091   2.120303
    45  H    2.795978   4.129479   3.262830   3.762214   2.101866
    46  C    3.361044   4.033927   2.465338   3.635926   1.463606
    47  H    4.097878   4.362853   2.546619   3.788406   2.104315
    48  H    2.325078   2.954547   3.191468   4.278399   2.110990
    49  H    3.690573   4.638478   3.179836   4.282449   2.115120
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417050   0.000000
    43  H    3.647496   1.097555   0.000000
    44  H    3.992272   1.102859   1.798802   0.000000
    45  H    4.087947   1.100802   1.795161   1.790801   0.000000
    46  C    2.556873   2.494923   3.395863   2.919818   2.633689
    47  H    2.147140   3.420767   4.182010   3.875576   3.651705
    48  H    3.336583   2.748929   3.632607   3.332244   2.431033
    49  H    3.310323   2.795656   3.826546   2.797835   2.956916
                   46         47         48         49
    46  C    0.000000
    47  H    1.099065   0.000000
    48  H    1.102779   1.793127   0.000000
    49  H    1.102367   1.798124   1.789980   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2132293      0.1912050      0.1857291
 Leave Link  202 at Mon Nov 14 01:16:37 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.4963527814 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843767231 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.3119760583 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4049
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.45D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     224
 GePol: Fraction of low-weight points (<1% of avg)   =       5.53%
 GePol: Cavity surface area                          =    466.099 Ang**2
 GePol: Cavity volume                                =    458.322 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039895786 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.3079864797 Hartrees.
 Leave Link  301 at Mon Nov 14 01:16:37 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11973 LenP2D=   37515.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:16:38 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:16:38 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001130    0.001762    0.000653
         Rot=    1.000000   -0.000124   -0.000056   -0.000148 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50896390998    
 Leave Link  401 at Mon Nov 14 01:16:45 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49183203.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.44D-15 for   3682.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.03D-14 for   2115   1098.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   3682.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.11D-10 for   2451   2450.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.99D-15 for     23.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.14D-14 for   2313    119.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   2222.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.45D-15 for   3180    424.
 E= -1013.45102376312    
 DIIS: error= 2.41D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45102376312     IErMin= 1 ErrMin= 2.41D-04
 ErrMax= 2.41D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.81D-05 BMatP= 8.81D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.41D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.51D-05 MaxDP=1.90D-03              OVMax= 2.46D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.51D-05    CP:  1.00D+00
 E= -1013.45117229043     Delta-E=       -0.000148527314 Rises=F Damp=F
 DIIS: error= 5.58D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45117229043     IErMin= 2 ErrMin= 5.58D-05
 ErrMax= 5.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-06 BMatP= 8.81D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.263D-01 0.974D+00
 Coeff:      0.263D-01 0.974D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.17D-05 MaxDP=6.86D-04 DE=-1.49D-04 OVMax= 1.27D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.15D-05    CP:  1.00D+00  9.61D-01
 E= -1013.45116500262     Delta-E=        0.000007287812 Rises=F Damp=F
 DIIS: error= 1.62D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45117229043     IErMin= 2 ErrMin= 5.58D-05
 ErrMax= 1.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-05 BMatP= 1.95D-06
 IDIUse=3 WtCom= 4.40D-01 WtEn= 5.60D-01
 Coeff-Com:  0.253D-02 0.710D+00 0.287D+00
 Coeff-En:   0.000D+00 0.791D+00 0.209D+00
 Coeff:      0.111D-02 0.756D+00 0.243D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.43D-06 MaxDP=5.16D-04 DE= 7.29D-06 OVMax= 9.19D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.12D-06    CP:  1.00D+00  9.73D-01  4.17D-01
 E= -1013.45117392178     Delta-E=       -0.000008919159 Rises=F Damp=F
 DIIS: error= 8.55D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45117392178     IErMin= 4 ErrMin= 8.55D-06
 ErrMax= 8.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-07 BMatP= 1.95D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.390D-04 0.269D+00 0.654D-01 0.666D+00
 Coeff:     -0.390D-04 0.269D+00 0.654D-01 0.666D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.46D-06 MaxDP=6.77D-05 DE=-8.92D-06 OVMax= 6.85D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.96D-07    CP:  1.00D+00  9.77D-01  3.42D-01  7.33D-01
 E= -1013.45117400681     Delta-E=       -0.000000085033 Rises=F Damp=F
 DIIS: error= 7.71D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45117400681     IErMin= 5 ErrMin= 7.71D-06
 ErrMax= 7.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-08 BMatP= 1.17D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.278D-04 0.151D+00 0.331D-01 0.436D+00 0.380D+00
 Coeff:     -0.278D-04 0.151D+00 0.331D-01 0.436D+00 0.380D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.97D-07 MaxDP=3.32D-05 DE=-8.50D-08 OVMax= 3.66D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.03D-07    CP:  1.00D+00  9.78D-01  3.40D-01  7.42D-01  6.84D-01
 E= -1013.45117402862     Delta-E=       -0.000000021806 Rises=F Damp=F
 DIIS: error= 6.27D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45117402862     IErMin= 6 ErrMin= 6.27D-07
 ErrMax= 6.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-10 BMatP= 2.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D-04 0.395D-01 0.833D-02 0.123D+00 0.149D+00 0.680D+00
 Coeff:     -0.180D-04 0.395D-01 0.833D-02 0.123D+00 0.149D+00 0.680D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.48D-08 MaxDP=3.53D-06 DE=-2.18D-08 OVMax= 5.25D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.60D-08    CP:  1.00D+00  9.78D-01  3.40D-01  7.46D-01  6.84D-01
                    CP:  9.05D-01
 E= -1013.45117402890     Delta-E=       -0.000000000281 Rises=F Damp=F
 DIIS: error= 2.52D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45117402890     IErMin= 7 ErrMin= 2.52D-07
 ErrMax= 2.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-11 BMatP= 2.96D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-04 0.109D-01 0.229D-02 0.363D-01 0.547D-01 0.373D+00
 Coeff-Com:  0.523D+00
 Coeff:     -0.121D-04 0.109D-01 0.229D-02 0.363D-01 0.547D-01 0.373D+00
 Coeff:      0.523D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.21D-08 MaxDP=1.09D-06 DE=-2.81D-10 OVMax= 1.46D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.69D-08    CP:  1.00D+00  9.78D-01  3.40D-01  7.45D-01  6.86D-01
                    CP:  9.04D-01  7.50D-01
 E= -1013.45117402894     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 5.18D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45117402894     IErMin= 8 ErrMin= 5.18D-08
 ErrMax= 5.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-12 BMatP= 5.43D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.420D-05 0.183D-02 0.400D-03 0.672D-02 0.130D-01 0.116D+00
 Coeff-Com:  0.243D+00 0.618D+00
 Coeff:     -0.420D-05 0.183D-02 0.400D-03 0.672D-02 0.130D-01 0.116D+00
 Coeff:      0.243D+00 0.618D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.38D-09 MaxDP=4.95D-07 DE=-3.82D-11 OVMax= 7.36D-07

 Error on total polarization charges =  0.04267
 SCF Done:  E(RB97D) =  -1013.45117403     A.U. after    8 cycles
            NFock=  8  Conv=0.84D-08     -V/T= 2.0213
 KE= 9.923528030795D+02 PE=-6.025997064502D+03 EE= 2.172885100914D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:18:28 2016, MaxMem=  2952790016 cpu:      1176.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11973 LenP2D=   37515.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 01:18:36 2016, MaxMem=  2952790016 cpu:        98.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:18:37 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:19:13 2016, MaxMem=  2952790016 cpu:       439.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.38697461D+00-2.76019082D+00 3.34996828D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000319689   -0.000554884   -0.000093833
      2        6          -0.000006688    0.000113271    0.000012583
      3        8           0.000029092    0.000007523    0.000061625
      4        7           0.000054740    0.000043994    0.000044944
      5        1           0.000033804    0.000043926   -0.000030422
      6        6          -0.000020912    0.000090601    0.000138956
      7        1           0.000058629    0.000056140   -0.000028165
      8        1          -0.000045471    0.000087701    0.000060744
      9        1           0.000044928   -0.000049335    0.000024223
     10        6           0.000092675   -0.000003853   -0.000048581
     11        1           0.000013144   -0.000000987    0.000029570
     12        1          -0.000016981    0.000020630    0.000076393
     13        1           0.000020351    0.000021564    0.000021381
     14        6          -0.000022519   -0.000014913   -0.000060628
     15        8          -0.000022129   -0.000001532   -0.000029292
     16        7          -0.000016910    0.000026576   -0.000026794
     17        1          -0.000019220   -0.000018752   -0.000025364
     18        6          -0.000056694   -0.000002665   -0.000021033
     19        1          -0.000014385    0.000020223   -0.000027703
     20        1          -0.000007419    0.000009644   -0.000046924
     21        1           0.000005605    0.000009251   -0.000049220
     22        6          -0.000064723    0.000034617   -0.000086700
     23        1           0.000016024   -0.000000371   -0.000027635
     24        1          -0.000039654    0.000033029   -0.000021890
     25        1           0.000007491    0.000028032   -0.000023326
     26        6          -0.000002819    0.000082171    0.000057285
     27        8           0.000004048   -0.000013362    0.000030982
     28        7           0.000020665    0.000000939    0.000042896
     29        1          -0.000035912   -0.000014104    0.000013503
     30        6          -0.000025967   -0.000012747   -0.000005573
     31        1          -0.000011196   -0.000010217    0.000009608
     32        1          -0.000026161   -0.000023173   -0.000037148
     33        1           0.000016753   -0.000007006    0.000021225
     34        6          -0.000017114   -0.000009905   -0.000009994
     35        1          -0.000025071   -0.000034679    0.000010911
     36        1          -0.000017120   -0.000019267    0.000019114
     37        1          -0.000024471   -0.000025268   -0.000000365
     38        6          -0.000026753    0.000069506    0.000033189
     39        8           0.000052915   -0.000089506   -0.000088945
     40        7          -0.000012720   -0.000029125    0.000016209
     41        1          -0.000068215    0.000057068    0.000009688
     42        6          -0.000186867   -0.000144930   -0.000015908
     43        1          -0.000016263    0.000064786    0.000085470
     44        1           0.000088179    0.000019425    0.000025574
     45        1          -0.000030394   -0.000052343    0.000086678
     46        6          -0.000007162    0.000027627   -0.000164520
     47        1          -0.000037750    0.000020857    0.000053086
     48        1           0.000054076    0.000172974   -0.000044515
     49        1          -0.000007148   -0.000029153    0.000028642
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000554884 RMS     0.000072592
 Leave Link  716 at Mon Nov 14 01:19:13 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000088648 RMS     0.000015517
 Search for a local minimum.
 Step number  23 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15517D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   17   18   19   20   21
                                                     22   23
 DE= -8.22D-06 DEPred=-2.56D-06 R= 3.21D+00
 TightC=F SS=  1.41D+00  RLast= 8.85D-02 DXNew= 2.2445D+00 2.6547D-01
 Trust test= 3.21D+00 RLast= 8.85D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  0
     Eigenvalues ---    0.00035   0.00089   0.00157   0.00344   0.00352
     Eigenvalues ---    0.00384   0.00428   0.00503   0.00602   0.00702
     Eigenvalues ---    0.00747   0.00776   0.00906   0.00915   0.00942
     Eigenvalues ---    0.00981   0.01024   0.01058   0.01205   0.01237
     Eigenvalues ---    0.01288   0.01361   0.01394   0.01485   0.01523
     Eigenvalues ---    0.01549   0.01619   0.01772   0.01780   0.01797
     Eigenvalues ---    0.01869   0.01880   0.01949   0.01989   0.02081
     Eigenvalues ---    0.02141   0.02200   0.02251   0.02546   0.02612
     Eigenvalues ---    0.02763   0.03013   0.03041   0.03579   0.03897
     Eigenvalues ---    0.04189   0.04381   0.04699   0.05206   0.05531
     Eigenvalues ---    0.05662   0.05959   0.06062   0.06205   0.06567
     Eigenvalues ---    0.06881   0.06938   0.07312   0.07505   0.07799
     Eigenvalues ---    0.07912   0.08162   0.08259   0.08425   0.08450
     Eigenvalues ---    0.08562   0.08662   0.08746   0.08837   0.08928
     Eigenvalues ---    0.09104   0.09320   0.09614   0.09792   0.09866
     Eigenvalues ---    0.10005   0.10065   0.10181   0.10401   0.10531
     Eigenvalues ---    0.10544   0.10622   0.10721   0.11070   0.11276
     Eigenvalues ---    0.11432   0.11638   0.12027   0.12452   0.13281
     Eigenvalues ---    0.13487   0.14498   0.14870   0.15209   0.15421
     Eigenvalues ---    0.15678   0.16446   0.21998   0.23184   0.23610
     Eigenvalues ---    0.23969   0.24426   0.25060   0.25829   0.26573
     Eigenvalues ---    0.27043   0.27844   0.28628   0.29307   0.29739
     Eigenvalues ---    0.29914   0.29984   0.32718   0.32734   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33424   0.33457   0.33531   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33833   0.33915   0.33944
     Eigenvalues ---    0.34002   0.34050   0.34152   0.37277   0.39332
     Eigenvalues ---    0.40634   0.41435   0.85938   0.85994   0.86095
     Eigenvalues ---    0.87281
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    23   22   21   20   19
 RFO step:  Lambda=-9.04825404D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.71D-05 SmlDif=  1.00D-05
 RMS Error=  0.9634612990D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.21814   -1.39433   -0.26378    0.54474   -0.10477
 Iteration  1 RMS(Cart)=  0.00385066 RMS(Int)=  0.00002252
 Iteration  2 RMS(Cart)=  0.00001355 RMS(Int)=  0.00000630
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000630
 ITry= 1 IFail=0 DXMaxC= 3.44D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.61985   0.00001  -0.00170  -0.00012  -0.00182   6.61803
    R2        6.23668   0.00000   0.00201   0.00119   0.00318   6.23986
    R3        7.08197   0.00006   0.01354   0.00541   0.01891   7.10088
    R4        6.12694   0.00004   0.01397   0.00543   0.01945   6.14639
    R5        6.57954  -0.00006  -0.00396  -0.00138  -0.00536   6.57418
    R6        5.93709  -0.00002  -0.00098  -0.00011  -0.00108   5.93601
    R7        6.72397  -0.00001  -0.00115  -0.00034  -0.00149   6.72248
    R8        6.22923   0.00000  -0.00069  -0.00006  -0.00075   6.22848
    R9        6.63915   0.00001   0.00167   0.00070   0.00237   6.64151
   R10        6.05792   0.00001  -0.00378   0.00003  -0.00374   6.05418
   R11        6.97302   0.00001  -0.00264  -0.00053  -0.00317   6.96984
   R12        6.02675   0.00001  -0.00228  -0.00047  -0.00275   6.02401
   R13        6.90663   0.00000  -0.00353  -0.00005  -0.00358   6.90304
   R14        6.20028  -0.00001  -0.00064   0.00011  -0.00052   6.19976
   R15        6.87603  -0.00002  -0.00039  -0.00014  -0.00053   6.87550
   R16        5.95985   0.00000   0.00068  -0.00006   0.00062   5.96047
   R17        6.68700   0.00001   0.00281   0.00031   0.00312   6.69012
   R18        6.68953   0.00004   0.01257   0.00029   0.01285   6.70238
   R19        6.20001   0.00003   0.00155  -0.00060   0.00095   6.20096
   R20        6.65645  -0.00002   0.00054  -0.00282  -0.00228   6.65416
   R21        6.01663  -0.00002   0.00290  -0.00097   0.00193   6.01856
   R22        6.88854   0.00002   0.00428   0.00156   0.00584   6.89438
   R23        5.93383  -0.00002   0.00605  -0.00135   0.00470   5.93853
   R24        2.34865  -0.00001   0.00010   0.00002   0.00011   2.34876
   R25        2.57274   0.00002  -0.00018  -0.00003  -0.00021   2.57252
   R26        2.09499   0.00000  -0.00001   0.00001   0.00000   2.09499
   R27        2.76519   0.00001   0.00007  -0.00001   0.00008   2.76527
   R28        2.76721   0.00004   0.00003  -0.00001   0.00003   2.76723
   R29        2.07642   0.00000   0.00005   0.00002   0.00007   2.07649
   R30        2.08261   0.00000   0.00001  -0.00004  -0.00001   2.08260
   R31        2.08292  -0.00001   0.00001  -0.00001   0.00000   2.08292
   R32        2.08101  -0.00002  -0.00010  -0.00004  -0.00013   2.08088
   R33        2.07446   0.00000  -0.00003   0.00000  -0.00003   2.07443
   R34        2.08354   0.00000   0.00001  -0.00001   0.00000   2.08354
   R35        2.34866   0.00000  -0.00005   0.00000  -0.00005   2.34861
   R36        2.57134  -0.00001   0.00010   0.00000   0.00010   2.57145
   R37        2.09374   0.00000   0.00000   0.00001   0.00001   2.09376
   R38        2.76864   0.00000  -0.00004   0.00000  -0.00004   2.76859
   R39        2.76471   0.00000   0.00006   0.00001   0.00007   2.76479
   R40        2.08155   0.00000   0.00011  -0.00003   0.00008   2.08164
   R41        2.08397   0.00000  -0.00002   0.00002  -0.00001   2.08396
   R42        2.07467  -0.00001  -0.00002  -0.00001  -0.00003   2.07464
   R43        2.08321   0.00000   0.00001   0.00000   0.00000   2.08321
   R44        2.08384   0.00001   0.00000   0.00002   0.00001   2.08384
   R45        2.07672   0.00000   0.00000   0.00000   0.00000   2.07673
   R46        2.34829   0.00000   0.00000  -0.00002  -0.00002   2.34828
   R47        2.57154   0.00003   0.00008   0.00009   0.00017   2.57171
   R48        2.09359   0.00000  -0.00001  -0.00001  -0.00002   2.09358
   R49        2.76471   0.00003   0.00001   0.00003   0.00004   2.76475
   R50        2.76881  -0.00001  -0.00014  -0.00001  -0.00016   2.76865
   R51        2.08448   0.00000  -0.00001   0.00000  -0.00002   2.08446
   R52        2.08158   0.00001   0.00003   0.00003   0.00006   2.08164
   R53        2.07595   0.00000  -0.00001  -0.00001  -0.00003   2.07592
   R54        2.08524   0.00000   0.00007  -0.00002   0.00006   2.08530
   R55        2.07368   0.00001   0.00000  -0.00003  -0.00003   2.07365
   R56        2.07797   0.00001   0.00010   0.00002   0.00012   2.07810
   R57        2.34803   0.00001   0.00015  -0.00002   0.00013   2.34816
   R58        2.57256   0.00000  -0.00028   0.00013  -0.00015   2.57241
   R59        2.09554   0.00001   0.00006  -0.00003   0.00004   2.09557
   R60        2.76906  -0.00004  -0.00018   0.00012  -0.00006   2.76901
   R61        2.76581  -0.00007  -0.00011  -0.00010  -0.00021   2.76561
   R62        2.07408  -0.00004   0.00000   0.00001   0.00001   2.07409
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   R64        2.08021   0.00001  -0.00017  -0.00005  -0.00022   2.08000
   R65        2.07693  -0.00001  -0.00005   0.00001  -0.00003   2.07690
   R66        2.08395  -0.00001  -0.00016   0.00013  -0.00002   2.08393
   R67        2.08317   0.00002   0.00001   0.00005   0.00006   2.08323
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    A4        1.01722   0.00001   0.00020   0.00003   0.00023   1.01745
    A5        2.31534   0.00001   0.00086   0.00023   0.00109   2.31643
    A6        1.99502   0.00001   0.00088   0.00027   0.00115   1.99617
    A7        1.95216   0.00000   0.00082   0.00033   0.00115   1.95331
    A8        1.65858   0.00000   0.00128   0.00044   0.00172   1.66030
    A9        1.62697   0.00001   0.00069   0.00020   0.00088   1.62785
   A10        1.34484   0.00001   0.00062   0.00020   0.00082   1.34566
   A11        1.74236  -0.00001  -0.00082  -0.00027  -0.00109   1.74127
   A12        2.03899   0.00000  -0.00044  -0.00019  -0.00063   2.03836
   A13        1.93285   0.00000  -0.00012  -0.00006  -0.00017   1.93267
   A14        2.01263   0.00000   0.00032   0.00005   0.00038   2.01300
   A15        2.43871  -0.00001  -0.00067  -0.00022  -0.00090   2.43782
   A16        1.56218  -0.00001   0.00161   0.00057   0.00218   1.56436
   A17        1.78865  -0.00001   0.00039   0.00001   0.00040   1.78905
   A18        1.59860  -0.00001  -0.00105  -0.00058  -0.00162   1.59697
   A19        1.73453   0.00000  -0.00189  -0.00039  -0.00228   1.73225
   A20        2.20113  -0.00003   0.00013  -0.00009   0.00004   2.20117
   A21        2.43054  -0.00004  -0.00079   0.00003  -0.00076   2.42978
   A22        0.65627   0.00000  -0.00070  -0.00031  -0.00101   0.65525
   A23        0.66322   0.00001  -0.00018  -0.00007  -0.00025   0.66297
   A24        2.37928   0.00000   0.00018  -0.00001   0.00016   2.37945
   A25        2.19833   0.00001   0.00046   0.00011   0.00057   2.19889
   A26        2.29541   0.00001   0.00061   0.00023   0.00084   2.29626
   A27        2.02991   0.00001   0.00127   0.00040   0.00167   2.03158
   A28        1.79229   0.00001   0.00025   0.00006   0.00031   1.79260
   A29        1.54676   0.00001   0.00037   0.00012   0.00049   1.54725
   A30        1.34695  -0.00001  -0.00075  -0.00022  -0.00097   1.34598
   A31        1.64313  -0.00001  -0.00059  -0.00022  -0.00081   1.64232
   A32        1.59021   0.00000  -0.00062  -0.00022  -0.00083   1.58938
   A33        1.73923   0.00000  -0.00039  -0.00018  -0.00057   1.73867
   A34        2.04081  -0.00001  -0.00067  -0.00020  -0.00087   2.03994
   A35        1.79189  -0.00001   0.00261   0.00105   0.00365   1.79555
   A36        1.88713  -0.00001   0.00167   0.00045   0.00212   1.88925
   A37        1.56241   0.00000   0.00066  -0.00004   0.00062   1.56303
   A38        1.58169   0.00001  -0.00041   0.00006  -0.00035   1.58134
   A39        2.26708  -0.00003   0.00087   0.00002   0.00089   2.26797
   A40        2.37001  -0.00004  -0.00043   0.00037  -0.00006   2.36995
   A41        0.69952   0.00001  -0.00090  -0.00029  -0.00119   0.69833
   A42        0.76711   0.00001  -0.00149  -0.00045  -0.00194   0.76518
   A43        2.66658   0.00000  -0.00116  -0.00041  -0.00157   2.66501
   A44        2.59249   0.00000  -0.00068  -0.00032  -0.00100   2.59149
   A45        2.64015   0.00000   0.00024   0.00001   0.00025   2.64040
   A46        2.33344   0.00000   0.00075   0.00016   0.00091   2.33434
   A47        2.18573   0.00000  -0.00086  -0.00036  -0.00122   2.18451
   A48        1.94555   0.00001  -0.00064  -0.00028  -0.00092   1.94463
   A49        1.11323  -0.00001  -0.00108  -0.00023  -0.00131   1.11192
   A50        1.47326  -0.00001  -0.00102  -0.00028  -0.00130   1.47196
   A51        1.57837   0.00000  -0.00151  -0.00045  -0.00196   1.57640
   A52        1.81386   0.00000  -0.00149  -0.00049  -0.00198   1.81188
   A53        1.79495  -0.00001  -0.00060  -0.00009  -0.00069   1.79426
   A54        1.61436  -0.00001   0.00394   0.00160   0.00553   1.61989
   A55        1.58528  -0.00001   0.00322   0.00100   0.00422   1.58950
   A56        1.20666   0.00000   0.00239   0.00055   0.00294   1.20960
   A57        1.18721   0.00001   0.00087   0.00052   0.00139   1.18861
   A58        1.91533  -0.00002   0.00210   0.00042   0.00252   1.91784
   A59        1.97608  -0.00004   0.00065   0.00080   0.00145   1.97753
   A60        0.84564   0.00002   0.00046   0.00025   0.00070   0.84635
   A61        0.79238   0.00002   0.00020   0.00025   0.00045   0.79283
   A62        2.60393   0.00002   0.00108   0.00060   0.00168   2.60561
   A63        2.75885   0.00002   0.00082   0.00038   0.00119   2.76005
   A64        2.60049  -0.00001  -0.00060  -0.00039  -0.00099   2.59950
   A65        2.38228   0.00002   0.00034   0.00018   0.00052   2.38279
   A66        2.18214   0.00001   0.00015   0.00006   0.00020   2.18234
   A67        0.86809   0.00000   0.00030   0.00036   0.00066   0.86874
   A68        1.24333   0.00000   0.00054   0.00039   0.00092   1.24426
   A69        1.42800   0.00001   0.00044   0.00037   0.00081   1.42881
   A70        1.69928   0.00002   0.00054   0.00037   0.00091   1.70018
   A71        1.52690   0.00000   0.00057   0.00041   0.00097   1.52787
   A72        1.62812  -0.00002   0.00180   0.00079   0.00259   1.63072
   A73        1.49235  -0.00002   0.00165   0.00035   0.00201   1.49436
   A74        1.07423  -0.00001   0.00143   0.00009   0.00152   1.07575
   A75        0.97847   0.00000   0.00044   0.00023   0.00067   0.97914
   A76        1.75019  -0.00003   0.00075  -0.00016   0.00060   1.75080
   A77        1.75067  -0.00004  -0.00016   0.00051   0.00036   1.75102
   A78        1.98932  -0.00001  -0.00021  -0.00014  -0.00035   1.98897
   A79        1.92544   0.00000   0.00003  -0.00005  -0.00001   1.92543
   A80        2.20045   0.00000   0.00014   0.00003   0.00018   2.20063
   A81        2.05441   0.00000   0.00118   0.00029   0.00147   2.05588
   A82        1.53668   0.00000  -0.00010  -0.00006  -0.00015   1.53652
   A83        1.36223   0.00000   0.00019   0.00006   0.00025   1.36248
   A84        1.18712   0.00000  -0.00005   0.00005   0.00001   1.18713
   A85        1.37362  -0.00001  -0.00017  -0.00003  -0.00020   1.37342
   A86        1.21000  -0.00001  -0.00045  -0.00013  -0.00058   1.20942
   A87        1.31844  -0.00001  -0.00041  -0.00017  -0.00058   1.31786
   A88        1.80011  -0.00001  -0.00035  -0.00005  -0.00040   1.79971
   A89        2.22374   0.00000   0.00277   0.00109   0.00385   2.22759
   A90        2.28249   0.00000   0.00225   0.00067   0.00292   2.28541
   A91        1.90071   0.00001   0.00175   0.00033   0.00208   1.90279
   A92        1.81984   0.00002   0.00098   0.00046   0.00144   1.82128
   A93        2.59578  -0.00002   0.00123   0.00010   0.00133   2.59710
   A94        2.54106  -0.00003  -0.00014   0.00055   0.00041   2.54147
   A95        1.90090   0.00000   0.00036   0.00006   0.00042   1.90132
   A96        1.96942   0.00000   0.00077   0.00021   0.00099   1.97041
   A97        2.34217   0.00000   0.00084   0.00026   0.00110   2.34327
   A98        2.29155   0.00000   0.00192   0.00053   0.00244   2.29400
   A99        1.63749   0.00000   0.00075   0.00025   0.00099   1.63848
   A100       1.53476   0.00001   0.00110   0.00038   0.00148   1.53624
   A101       0.88563   0.00000  -0.00042  -0.00008  -0.00050   0.88513
   A102       1.05601  -0.00001  -0.00041  -0.00012  -0.00052   1.05549
   A103       0.92806  -0.00001  -0.00044  -0.00014  -0.00058   0.92748
   A104       1.08983  -0.00001  -0.00021  -0.00012  -0.00033   1.08950
   A105       1.48236  -0.00001  -0.00059  -0.00014  -0.00073   1.48163
   A106       2.38147   0.00000   0.00245   0.00115   0.00360   2.38507
   A107       2.28024   0.00000   0.00175   0.00057   0.00232   2.28256
   A108       1.85408   0.00001   0.00167   0.00033   0.00200   1.85608
   A109       1.68370   0.00001   0.00090   0.00035   0.00125   1.68495
   A110       2.44112  -0.00002   0.00023  -0.00022   0.00001   2.44113
   A111       2.28312  -0.00002  -0.00078   0.00027  -0.00050   2.28262
   A112       0.71289   0.00000   0.00003  -0.00002   0.00001   0.71289
   A113       1.00453   0.00000   0.00019  -0.00001   0.00018   1.00471
   A114       0.69357   0.00000   0.00021   0.00005   0.00026   0.69383
   A115       0.98024   0.00000   0.00032   0.00007   0.00040   0.98064
   A116       1.79155   0.00002   0.00084   0.00027   0.00111   1.79266
   A117       1.41289   0.00001   0.00057   0.00025   0.00082   1.41371
   A118       1.17784   0.00000   0.00066   0.00024   0.00090   1.17874
   A119       0.90490   0.00000   0.00053   0.00022   0.00075   0.90565
   A120       1.24254   0.00001   0.00028   0.00014   0.00042   1.24296
   A121       2.00008   0.00000  -0.00279  -0.00122  -0.00401   1.99607
   A122       2.00849   0.00000  -0.00194  -0.00049  -0.00243   2.00607
   A123       2.33302   0.00000  -0.00054   0.00015  -0.00039   2.33263
   A124       2.23315  -0.00001   0.00107   0.00017   0.00124   2.23438
   A125       1.63649   0.00002  -0.00105  -0.00001  -0.00107   1.63542
   A126       1.49427   0.00004   0.00007  -0.00033  -0.00026   1.49401
   A127       0.65662   0.00000   0.00031   0.00001   0.00032   0.65694
   A128       0.66148   0.00000   0.00019   0.00003   0.00022   0.66170
   A129       2.14718   0.00002   0.00106   0.00036   0.00142   2.14860
   A130       1.77866   0.00001   0.00076   0.00032   0.00108   1.77974
   A131       1.48062   0.00001   0.00089   0.00034   0.00123   1.48185
   A132       1.18875   0.00000   0.00080   0.00033   0.00113   1.18988
   A133       1.63477   0.00001   0.00036   0.00016   0.00052   1.63529
   A134       1.86279   0.00000  -0.00282  -0.00137  -0.00418   1.85861
   A135       2.03155   0.00000  -0.00252  -0.00077  -0.00329   2.02826
   A136       2.44939  -0.00001  -0.00213  -0.00041  -0.00255   2.44684
   A137       2.50290  -0.00001  -0.00012  -0.00018  -0.00031   2.50259
   A138       1.75971   0.00002  -0.00128  -0.00007  -0.00135   1.75836
   A139       1.71388   0.00004  -0.00001  -0.00049  -0.00050   1.71338
   A140       0.70482   0.00000   0.00008   0.00001   0.00009   0.70491
   A141       0.83852   0.00000  -0.00007  -0.00003  -0.00011   0.83842
   A142       2.49008   0.00001   0.00073   0.00019   0.00092   2.49099
   A143       2.11095   0.00001   0.00050   0.00018   0.00068   2.11163
   A144       1.88297   0.00001   0.00074   0.00025   0.00099   1.88396
   A145       1.59764   0.00000   0.00066   0.00025   0.00091   1.59854
   A146       1.84046   0.00001   0.00020   0.00002   0.00022   1.84069
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   A151       1.47044   0.00002  -0.00125  -0.00009  -0.00134   1.46911
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   A175       2.12052   0.00004   0.00018  -0.00044  -0.00026   2.12027
   A176       2.21951   0.00002   0.00143   0.00055   0.00199   2.22150
   A177       2.00697   0.00002   0.00129   0.00054   0.00183   2.00880
   A178       1.59625   0.00001   0.00128   0.00053   0.00181   1.59807
   A179       1.34962   0.00001   0.00125   0.00050   0.00175   1.35137
   A180       2.10825   0.00001   0.00080   0.00035   0.00115   2.10940
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   A182       2.35924  -0.00001  -0.00261  -0.00098  -0.00359   2.35565
   A183       2.68488  -0.00001  -0.00334  -0.00114  -0.00448   2.68040
   A184       2.30250   0.00001  -0.00136  -0.00015  -0.00151   2.30099
   A185       2.35038   0.00003   0.00001  -0.00057  -0.00056   2.34982
   A186       0.68963   0.00001   0.00023   0.00003   0.00026   0.68989
   A187       0.97981   0.00002   0.00029   0.00005   0.00034   0.98014
   A188       0.69803   0.00000   0.00015   0.00004   0.00018   0.69821
   A189       2.06314  -0.00001   0.00068   0.00068   0.00136   2.06450
   A190       1.69973   0.00000   0.00112   0.00042   0.00154   1.70127
   A191       1.35458  -0.00001   0.00200   0.00054   0.00255   1.35713
   A192       1.05492   0.00000   0.00174   0.00041   0.00216   1.05708
   A193       1.62173  -0.00001   0.00015  -0.00024  -0.00010   1.62163
   A194       1.40619  -0.00002  -0.00041   0.00029  -0.00012   1.40607
   A195       0.66599   0.00001   0.00003   0.00003   0.00005   0.66604
   A196       2.22990   0.00000  -0.00007   0.00032   0.00025   2.23016
   A197       1.83527   0.00000   0.00072   0.00030   0.00103   1.83630
   A198       1.59133   0.00000   0.00205   0.00060   0.00264   1.59398
   A199       1.27729   0.00000   0.00205   0.00041   0.00247   1.27976
   A200       1.61402   0.00000  -0.00012  -0.00023  -0.00035   1.61367
   A201       1.34146   0.00000  -0.00037   0.00016  -0.00020   1.34126
   A202       0.71010   0.00000  -0.00023  -0.00005  -0.00028   0.70982
   A203       2.62708   0.00001  -0.00044   0.00015  -0.00029   2.62679
   A204       2.23541   0.00001   0.00057   0.00027   0.00084   2.23625
   A205       2.00147   0.00000   0.00210   0.00061   0.00271   2.00418
   A206       1.68767   0.00000   0.00206   0.00043   0.00250   1.69017
   A207       1.95407   0.00001  -0.00024  -0.00020  -0.00044   1.95363
   A208       1.66496   0.00001  -0.00023   0.00007  -0.00016   1.66480
   A209       0.83402   0.00001  -0.00032  -0.00007  -0.00039   0.83363
   A210       2.70220   0.00001  -0.00178  -0.00050  -0.00228   2.69992
   A211       2.37442   0.00001  -0.00013   0.00010  -0.00003   2.37439
   A212       2.24534   0.00001   0.00192   0.00062   0.00254   2.24788
   A213       1.93411   0.00000   0.00206   0.00042   0.00248   1.93659
   A214       2.01006   0.00002  -0.00057  -0.00016  -0.00073   2.00933
   A215       1.72469   0.00002  -0.00025  -0.00005  -0.00029   1.72439
   A216       1.92649   0.00001  -0.00055   0.00003  -0.00051   1.92598
   A217       1.55046   0.00001   0.00047   0.00024   0.00071   1.55117
   A218       1.44864   0.00000   0.00185   0.00065   0.00251   1.45115
   A219       1.16296  -0.00001   0.00216   0.00041   0.00258   1.16553
   A220       1.24441   0.00001   0.00000  -0.00015  -0.00015   1.24426
   A221       0.95676   0.00001  -0.00004   0.00015   0.00011   0.95687
   A222       0.71416  -0.00001  -0.00105   0.00027  -0.00078   0.71338
   A223       1.00826   0.00000  -0.00108   0.00026  -0.00082   1.00743
   A224       0.69987   0.00000  -0.00086  -0.00011  -0.00096   0.69891
   A225       0.98959  -0.00001  -0.00102  -0.00024  -0.00125   0.98834
   A226       0.66163   0.00000  -0.00016   0.00007  -0.00009   0.66155
   A227       0.66861  -0.00002  -0.00049   0.00007  -0.00042   0.66819
   A228       0.71025  -0.00003  -0.00009  -0.00006  -0.00015   0.71010
   A229       0.84329  -0.00004  -0.00023   0.00056   0.00033   0.84362
   A230       0.78081  -0.00003  -0.00002  -0.00043  -0.00045   0.78036
   A231       0.78904  -0.00005  -0.00013   0.00030   0.00016   0.78921
   A232       1.64265  -0.00006  -0.00445  -0.00183  -0.00628   1.63638
   A233       1.81979   0.00005   0.00378   0.00134   0.00513   1.82492
   A234       2.19207  -0.00003  -0.00010   0.00000  -0.00011   2.19197
   A235       2.12906   0.00001   0.00005  -0.00009  -0.00003   2.12903
   A236       1.96166   0.00002   0.00005   0.00009   0.00013   1.96179
   A237       2.12191  -0.00001   0.00046  -0.00006   0.00041   2.12232
   A238       2.12632   0.00000   0.00020  -0.00004   0.00015   2.12647
   A239       2.03378   0.00001  -0.00060   0.00011  -0.00050   2.03328
   A240       1.78846   0.00006   0.00779   0.00280   0.01060   1.79906
   A241       2.58135  -0.00005  -0.00753  -0.00256  -0.01012   2.57123
   A242       1.91223   0.00003   0.00029   0.00001   0.00034   1.91257
   A243       1.91656   0.00000   0.00049   0.00020   0.00068   1.91724
   A244       1.92078  -0.00001  -0.00100  -0.00014  -0.00122   1.91956
   A245       1.90881  -0.00001   0.00016  -0.00004   0.00010   1.90892
   A246       1.90868  -0.00001   0.00016  -0.00010   0.00007   1.90874
   A247       1.89664   0.00000  -0.00010   0.00007   0.00004   1.89668
   A248       1.35848  -0.00005  -0.00350  -0.00163  -0.00512   1.35336
   A249       1.90709   0.00000  -0.00033   0.00005  -0.00029   1.90681
   A250       1.90884  -0.00001   0.00024  -0.00005   0.00020   1.90904
   A251       1.92705  -0.00001  -0.00022  -0.00002  -0.00024   1.92681
   A252       1.91137  -0.00002   0.00027  -0.00005   0.00021   1.91159
   A253       1.89511   0.00000  -0.00001   0.00006   0.00006   1.89517
   A254       1.91426   0.00003   0.00005   0.00001   0.00006   1.91431
   A255       1.71985  -0.00001   0.00130   0.00018   0.00148   1.72133
   A256       1.77783   0.00001  -0.00174  -0.00026  -0.00201   1.77583
   A257       2.19050  -0.00001   0.00015   0.00002   0.00017   2.19067
   A258       2.13005   0.00000   0.00000  -0.00002  -0.00001   2.13004
   A259       1.96244   0.00001  -0.00016   0.00000  -0.00016   1.96228
   A260       2.12329   0.00000   0.00020  -0.00002   0.00018   2.12347
   A261       2.12407   0.00000  -0.00013   0.00000  -0.00013   2.12394
   A262       2.03573   0.00000  -0.00007   0.00002  -0.00005   2.03568
   A263       1.34258  -0.00001   0.00382   0.00077   0.00459   1.34717
   A264       1.89985   0.00000   0.00032   0.00006   0.00037   1.90022
   A265       1.93184   0.00000  -0.00010  -0.00003  -0.00013   1.93171
   A266       1.90988   0.00000  -0.00014   0.00008  -0.00006   1.90982
   A267       1.89821   0.00000  -0.00013  -0.00006  -0.00018   1.89802
   A268       1.91280  -0.00001  -0.00002   0.00003   0.00002   1.91282
   A269       1.91112   0.00001   0.00007  -0.00008  -0.00001   1.91111
   A270       2.64277   0.00002   0.00099   0.00024   0.00123   2.64401
   A271       1.72106  -0.00002  -0.00099  -0.00028  -0.00127   1.71979
   A272       1.92367   0.00001  -0.00009  -0.00002  -0.00010   1.92357
   A273       1.91530  -0.00001   0.00012   0.00001   0.00013   1.91542
   A274       1.91415  -0.00001   0.00000  -0.00002  -0.00001   1.91414
   A275       1.89405   0.00001  -0.00001  -0.00001  -0.00002   1.89403
   A276       1.91056   0.00000  -0.00005   0.00002  -0.00004   1.91052
   A277       1.90590   0.00000   0.00003   0.00002   0.00005   1.90595
   A278       1.81136   0.00001  -0.00035  -0.00006  -0.00041   1.81095
   A279       1.75512  -0.00003  -0.00054  -0.00014  -0.00068   1.75443
   A280       2.18960   0.00001   0.00011   0.00012   0.00023   2.18983
   A281       2.13027   0.00001   0.00002  -0.00008  -0.00007   2.13020
   A282       1.96323  -0.00002  -0.00013  -0.00004  -0.00017   1.96307
   A283       2.12220   0.00001   0.00004   0.00003   0.00007   2.12227
   A284       2.11506   0.00000   0.00037   0.00019   0.00056   2.11563
   A285       2.04223  -0.00001  -0.00041  -0.00022  -0.00063   2.04160
   A286       2.69533   0.00000   0.00093  -0.00002   0.00091   2.69624
   A287       1.66398   0.00000  -0.00073   0.00004  -0.00070   1.66328
   A288       1.92640   0.00000  -0.00012  -0.00013  -0.00025   1.92614
   A289       1.91410   0.00002   0.00004   0.00009   0.00013   1.91424
   A290       1.91257   0.00000  -0.00002   0.00004   0.00002   1.91259
   A291       1.89137   0.00000   0.00031  -0.00002   0.00030   1.89167
   A292       1.91241  -0.00001  -0.00008  -0.00001  -0.00009   1.91232
   A293       1.90676   0.00000  -0.00012   0.00002  -0.00010   1.90666
   A294       1.34794   0.00001   0.00614   0.00109   0.00723   1.35517
   A295       1.15446   0.00000  -0.00361  -0.00084  -0.00445   1.15001
   A296       1.93290   0.00000  -0.00035  -0.00009  -0.00044   1.93246
   A297       1.90685  -0.00001   0.00030   0.00003   0.00032   1.90717
   A298       1.90149   0.00000   0.00030   0.00010   0.00038   1.90187
   A299       1.90939   0.00000  -0.00004   0.00007   0.00003   1.90943
   A300       1.89873   0.00000  -0.00060  -0.00009  -0.00068   1.89804
   A301       1.91440   0.00000   0.00039  -0.00001   0.00039   1.91479
   A302       1.73883  -0.00008   0.00036  -0.00133  -0.00097   1.73787
   A303       1.75269   0.00007   0.00381   0.00180   0.00561   1.75830
   A304       2.19294  -0.00002  -0.00019   0.00006  -0.00015   2.19279
   A305       2.12977   0.00000  -0.00027  -0.00003  -0.00031   2.12946
   A306       1.96022   0.00002   0.00047  -0.00003   0.00046   1.96068
   A307       2.12330   0.00001  -0.00115   0.00046  -0.00070   2.12260
   A308       2.12069   0.00004   0.00024  -0.00001   0.00023   2.12092
   A309       2.03890  -0.00005   0.00106  -0.00044   0.00061   2.03951
   A310       1.39279   0.00004  -0.00179  -0.00135  -0.00314   1.38965
   A311       2.96310  -0.00002   0.00247   0.00121   0.00368   2.96678
   A312       1.90743   0.00001   0.00000   0.00008   0.00009   1.90752
   A313       1.92869  -0.00002  -0.00031  -0.00034  -0.00065   1.92804
   A314       1.90523   0.00001   0.00056  -0.00012   0.00044   1.90567
   A315       1.91405  -0.00002  -0.00044   0.00012  -0.00033   1.91373
   A316       1.91096   0.00004  -0.00074   0.00042  -0.00033   1.91063
   A317       1.89736  -0.00002   0.00093  -0.00015   0.00077   1.89814
   A318       1.70287   0.00004  -0.00134   0.00360   0.00225   1.70512
   A319       1.91250  -0.00001  -0.00026   0.00010  -0.00017   1.91233
   A320       1.91787  -0.00003  -0.00027  -0.00014  -0.00041   1.91746
   A321       1.92406   0.00002   0.00036   0.00001   0.00037   1.92443
   A322       1.90330   0.00006  -0.00041   0.00028  -0.00012   1.90318
   A323       1.91167  -0.00003   0.00021  -0.00011   0.00010   1.91177
   A324       1.89421  -0.00001   0.00037  -0.00014   0.00023   1.89444
   A325       2.92494   0.00000  -0.00052  -0.00029  -0.00081   2.92413
   A326       3.36150   0.00001  -0.00120  -0.00019  -0.00140   3.36010
   A327       3.07936   0.00001  -0.00127  -0.00019  -0.00146   3.07791
   A328       3.27273  -0.00002  -0.00345  -0.00162  -0.00506   3.26767
   A329       3.25370  -0.00001   0.00389   0.00068   0.00458   3.25828
   A330       3.25733   0.00001   0.00610   0.00117   0.00726   3.26459
   A331       3.61454   0.00001  -0.00113   0.00349   0.00236   3.61690
   A332       3.21380   0.00002   0.00114   0.00063   0.00176   3.21556
   A333       3.06573  -0.00001  -0.00271  -0.00082  -0.00354   3.06219
   A334       3.01067  -0.00002  -0.00313  -0.00098  -0.00410   3.00657
   A335       3.23685   0.00000   0.00039   0.00018   0.00057   3.23742
   A336       3.07584   0.00000  -0.00096  -0.00004  -0.00100   3.07484
   A337       3.10356   0.00000  -0.00150  -0.00044  -0.00193   3.10163
   A338       3.03414  -0.00001   0.00094  -0.00041   0.00053   3.03467
    D1        2.75397   0.00000   0.00037   0.00035   0.00072   2.75470
    D2       -1.35642   0.00000  -0.00018  -0.00005  -0.00024  -1.35665
    D3        2.75755   0.00002   0.00354   0.00161   0.00514   2.76268
    D4       -1.35284   0.00002   0.00298   0.00121   0.00418  -1.34866
    D5        1.64333  -0.00001   0.00166   0.00067   0.00233   1.64566
    D6       -2.46706  -0.00001   0.00111   0.00026   0.00138  -2.46569
    D7        1.80270   0.00000   0.00300   0.00114   0.00413   1.80684
    D8       -2.30769   0.00000   0.00245   0.00073   0.00318  -2.30451
    D9        0.28328   0.00000   0.00283   0.00116   0.00400   0.28728
   D10        2.45607   0.00000   0.00228   0.00076   0.00304   2.45911
   D11        0.00851   0.00000   0.00246   0.00101   0.00347   0.01197
   D12        2.18130   0.00000   0.00191   0.00060   0.00251   2.18381
   D13       -0.45625   0.00000   0.00240   0.00098   0.00338  -0.45287
   D14        1.71654   0.00000   0.00184   0.00058   0.00242   1.71896
   D15       -0.57830   0.00000   0.00166   0.00083   0.00250  -0.57581
   D16        1.59449   0.00000   0.00111   0.00043   0.00154   1.59603
   D17        0.18818   0.00000   0.00254   0.00097   0.00350   0.19169
   D18        2.36098   0.00000   0.00199   0.00056   0.00255   2.36353
   D19        0.13313  -0.00001   0.00213   0.00081   0.00294   0.13607
   D20        2.30592  -0.00001   0.00157   0.00041   0.00198   2.30790
   D21        2.33414   0.00001   0.00376   0.00143   0.00519   2.33934
   D22       -1.77625   0.00001   0.00321   0.00103   0.00423  -1.77201
   D23        2.08241   0.00001   0.00387   0.00152   0.00540   2.08781
   D24       -2.02798   0.00001   0.00332   0.00112   0.00444  -2.02354
   D25        1.64475   0.00001   0.00381   0.00149   0.00530   1.65005
   D26       -2.46564   0.00001   0.00325   0.00109   0.00434  -2.46130
   D27        1.33806   0.00000   0.00384   0.00151   0.00535   1.34341
   D28       -2.77233   0.00000   0.00328   0.00110   0.00439  -2.76794
   D29        2.27590   0.00002   0.00388   0.00152   0.00540   2.28130
   D30       -1.83449   0.00002   0.00333   0.00112   0.00444  -1.83005
   D31       -1.87957   0.00000   0.00469   0.00221   0.00690  -1.87267
   D32        0.29322   0.00000   0.00414   0.00181   0.00595   0.29917
   D33       -2.20537   0.00001   0.00480   0.00180   0.00661  -2.19876
   D34       -0.03258   0.00000   0.00425   0.00140   0.00565  -0.02693
   D35       -2.59288   0.00001   0.00562   0.00189   0.00751  -2.58537
   D36       -0.42009   0.00001   0.00507   0.00149   0.00655  -0.41354
   D37       -2.87754   0.00001   0.00525   0.00179   0.00704  -2.87050
   D38       -0.70475   0.00001   0.00470   0.00139   0.00609  -0.69866
   D39       -2.18669  -0.00001   0.00335   0.00089   0.00423  -2.18246
   D40       -0.01390  -0.00001   0.00279   0.00048   0.00328  -0.01062
   D41       -2.43193  -0.00003   0.00208   0.00158   0.00367  -2.42826
   D42       -0.25913  -0.00003   0.00153   0.00118   0.00271  -0.25642
   D43        1.29747  -0.00001  -0.00443  -0.00182  -0.00625   1.29122
   D44       -1.97487  -0.00001   0.00208   0.00030   0.00237  -1.97249
   D45        2.46701   0.00000  -0.00252  -0.00117  -0.00369   2.46333
   D46       -0.80533   0.00001   0.00399   0.00096   0.00494  -0.80039
   D47        2.93408   0.00000  -0.00129  -0.00077  -0.00206   2.93203
   D48       -0.33826   0.00001   0.00522   0.00136   0.00657  -0.33169
   D49        2.84179   0.00000  -0.00228  -0.00146  -0.00373   2.83805
   D50       -0.43055   0.00000   0.00423   0.00066   0.00489  -0.42566
   D51        2.03674  -0.00001  -0.00125  -0.00098  -0.00223   2.03451
   D52       -1.23560   0.00000   0.00526   0.00114   0.00639  -1.22921
   D53        1.16466  -0.00001  -0.00050  -0.00058  -0.00109   1.16357
   D54       -2.10768  -0.00001   0.00600   0.00154   0.00754  -2.10014
   D55        1.03328  -0.00001  -0.00278  -0.00118  -0.00396   1.02933
   D56       -2.23906   0.00000   0.00373   0.00094   0.00467  -2.23439
   D57        2.02574  -0.00001  -0.00203  -0.00121  -0.00324   2.02249
   D58       -1.24660   0.00000   0.00448   0.00091   0.00538  -1.24122
   D59        1.84554  -0.00001  -0.00262  -0.00137  -0.00400   1.84155
   D60       -1.42680  -0.00001   0.00388   0.00075   0.00463  -1.42217
   D61       -2.30828   0.00001  -0.00096  -0.00069  -0.00165  -2.30993
   D62        0.70256   0.00001   0.00554   0.00143   0.00697   0.70953
   D63       -2.43597   0.00000  -0.00168  -0.00091  -0.00260  -2.43857
   D64        0.57487   0.00001   0.00482   0.00121   0.00603   0.58090
   D65       -2.83651   0.00000  -0.00186  -0.00098  -0.00284  -2.83935
   D66        0.17434   0.00000   0.00465   0.00114   0.00578   0.18012
   D67       -3.01270  -0.00001  -0.00193  -0.00105  -0.00298  -3.01568
   D68       -0.00186   0.00000   0.00458   0.00107   0.00565   0.00379
   D69       -2.15409   0.00000  -0.00247  -0.00117  -0.00364  -2.15773
   D70        0.85676   0.00000   0.00404   0.00095   0.00498   0.86174
   D71       -0.20702   0.00000  -0.00208  -0.00073  -0.00281  -0.20983
   D72        2.80382   0.00001   0.00443   0.00139   0.00581   2.80963
   D73       -0.60085   0.00000  -0.00126  -0.00071  -0.00196  -0.60281
   D74        2.40999   0.00001   0.00525   0.00142   0.00666   2.41665
   D75       -0.80577   0.00000   0.00063  -0.00023   0.00040  -0.80537
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   D83       -1.50260  -0.00002  -0.00157  -0.00050  -0.00207  -1.50467
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   D85       -2.94046   0.00002   0.00140   0.00085   0.00224  -2.93822
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   D87        0.31440   0.00000  -0.00024  -0.00004  -0.00028   0.31412
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   D91       -0.03826  -0.00001  -0.00088  -0.00027  -0.00115  -0.03940
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   D95        1.35460   0.00000   0.00045   0.00028   0.00073   1.35534
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   D121      -2.70760   0.00001   0.00056   0.00015   0.00071  -2.70689
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   D132      -1.25906   0.00000   0.00003  -0.00018  -0.00015  -1.25921
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   D149       2.64230  -0.00001  -0.00252  -0.00061  -0.00312   2.63918
   D150       1.51976   0.00001  -0.00190  -0.00026  -0.00216   1.51760
   D151       2.61835   0.00001  -0.00163  -0.00017  -0.00179   2.61656
   D152       2.98536   0.00001  -0.00129  -0.00008  -0.00137   2.98399
   D153       1.25300  -0.00001  -0.00326  -0.00091  -0.00417   1.24883
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   D171       0.97741   0.00002   0.00112   0.00073   0.00185   0.97926
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   D173       0.96762  -0.00001  -0.00092  -0.00036  -0.00128   0.96634
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   D289      -2.90175   0.00000  -0.00204  -0.00006  -0.00211  -2.90385
   D290       1.22453  -0.00002  -0.00227  -0.00052  -0.00279   1.22174
   D291      -2.98960  -0.00002  -0.00385  -0.00081  -0.00465  -2.99425
   D292       2.03109   0.00000  -0.00147  -0.00010  -0.00157   2.02951
   D293      -2.18305   0.00000  -0.00305  -0.00038  -0.00343  -2.18648
   D294       2.01756   0.00000  -0.00213  -0.00031  -0.00244   2.01512
   D295      -2.19658   0.00000  -0.00371  -0.00059  -0.00430  -2.20087
   D296      -2.31155   0.00000  -0.00157  -0.00022  -0.00178  -2.31334
   D297      -0.24250   0.00000  -0.00314  -0.00050  -0.00364  -0.24614
   D298      -2.29985   0.00000  -0.00140  -0.00011  -0.00151  -2.30135
   D299      -0.23079   0.00000  -0.00297  -0.00039  -0.00336  -0.23416
   D300      -1.91721   0.00000  -0.00140  -0.00007  -0.00147  -1.91868
   D301       0.15185   0.00000  -0.00298  -0.00035  -0.00333   0.14851
   D302      -1.86885   0.00000  -0.00017   0.00024   0.00006  -1.86879
   D303       0.20020   0.00000  -0.00174  -0.00005  -0.00179   0.19841
   D304      -2.65069   0.00000  -0.00156  -0.00011  -0.00167  -2.65235
   D305      -0.58163   0.00000  -0.00314  -0.00039  -0.00353  -0.58516
   D306      -2.78993   0.00001  -0.00132   0.00000  -0.00131  -2.79124
   D307      -0.72087   0.00001  -0.00289  -0.00028  -0.00317  -0.72404
   D308       1.52844  -0.00001  -0.00275  -0.00050  -0.00324   1.52520
   D309      -2.68569  -0.00001  -0.00432  -0.00078  -0.00510  -2.69079
   D310       2.62712   0.00000  -0.00229  -0.00043  -0.00272   2.62440
   D311      -1.58701   0.00000  -0.00387  -0.00071  -0.00458  -1.59159
   D312       3.00999   0.00000  -0.00199  -0.00038  -0.00236   3.00762
   D313      -1.20415   0.00000  -0.00356  -0.00066  -0.00422  -1.20837
   D314      -0.39114   0.00001  -0.00441  -0.00152  -0.00593  -0.39707
   D315       1.67791   0.00001  -0.00599  -0.00180  -0.00779   1.67013
   D316      -0.26863   0.00000  -0.00389  -0.00086  -0.00475  -0.27338
   D317       1.80042   0.00000  -0.00547  -0.00114  -0.00661   1.79381
   D318       0.14876  -0.00001  -0.00368  -0.00057  -0.00425   0.14451
   D319       2.21782  -0.00001  -0.00525  -0.00086  -0.00611   2.21171
   D320       0.28452  -0.00002  -0.00304  -0.00068  -0.00373   0.28080
   D321       2.35358  -0.00002  -0.00462  -0.00097  -0.00558   2.34799
   D322      -0.55113   0.00002  -0.00287  -0.00023  -0.00310  -0.55423
   D323       1.51792   0.00002  -0.00445  -0.00051  -0.00496   1.51296
   D324      -0.59901   0.00004  -0.00167  -0.00082  -0.00249  -0.60150
   D325       1.47004   0.00004  -0.00324  -0.00110  -0.00435   1.46569
   D326      -0.01676   0.00001   0.00206   0.00227   0.00434  -0.01242
   D327       2.17045   0.00001   0.00319   0.00239   0.00558   2.17603
   D328       0.31156   0.00001   0.00149   0.00196   0.00345   0.31502
   D329       2.49878   0.00001   0.00261   0.00207   0.00469   2.50347
   D330       0.67235   0.00001   0.00118   0.00184   0.00302   0.67537
   D331       2.85956   0.00000   0.00230   0.00195   0.00426   2.86382
   D332       0.95427   0.00001   0.00077   0.00166   0.00242   0.95669
   D333       3.14148   0.00000   0.00189   0.00177   0.00366  -3.13805
   D334       0.29835   0.00001   0.00041   0.00131   0.00173   0.30008
   D335       2.48556   0.00000   0.00154   0.00143   0.00297   2.48853
   D336       0.67186   0.00001   0.00197   0.00180   0.00378   0.67564
   D337       2.85907   0.00000   0.00309   0.00192   0.00502   2.86409
   D338      -2.42263   0.00001   0.00132   0.00222   0.00354  -2.41909
   D339      -0.23541   0.00001   0.00244   0.00233   0.00478  -0.23064
   D340      -2.02899   0.00001   0.00099   0.00199   0.00298  -2.02601
   D341       0.15822   0.00000   0.00211   0.00210   0.00422   0.16244
   D342      -1.97380   0.00001   0.00131   0.00194   0.00326  -1.97054
   D343       0.21342   0.00000   0.00244   0.00205   0.00449   0.21791
   D344      -1.68097   0.00000   0.00108   0.00192   0.00301  -1.67796
   D345       0.50625   0.00000   0.00221   0.00204   0.00425   0.51049
   D346      -1.64679   0.00001   0.00048   0.00177   0.00225  -1.64454
   D347       0.54043   0.00001   0.00160   0.00188   0.00349   0.54391
   D348      -1.33471   0.00001   0.00037   0.00163   0.00201  -1.33270
   D349       0.85251   0.00000   0.00149   0.00175   0.00324   0.85575
   D350       1.74430  -0.00001   0.00208   0.00235   0.00442   1.74872
   D351      -2.35167  -0.00001   0.00320   0.00246   0.00566  -2.34601
   D352       2.15349  -0.00001   0.00293   0.00272   0.00565   2.15914
   D353      -1.94248  -0.00001   0.00406   0.00283   0.00688  -1.93560
   D354       2.33578  -0.00001   0.00501   0.00380   0.00880   2.34458
   D355      -1.76019  -0.00001   0.00613   0.00392   0.01004  -1.75015
   D356       2.96268   0.00001   0.00451   0.00397   0.00848   2.97116
   D357      -1.13329   0.00000   0.00563   0.00408   0.00972  -1.12357
   D358       2.49948   0.00000   0.00201   0.00239   0.00439   2.50388
   D359      -1.59649  -0.00001   0.00313   0.00250   0.00563  -1.59086
   D360       1.60644   0.00002  -0.00132   0.00071  -0.00061   1.60583
   D361      -2.48953   0.00001  -0.00020   0.00083   0.00063  -2.48891
   D362       1.75349   0.00002  -0.00107   0.00141   0.00033   1.75382
   D363      -2.34248   0.00002   0.00005   0.00152   0.00157  -2.34091
   D364       2.73595  -0.00002  -0.00005   0.00048   0.00043   2.73638
   D365      -1.36002  -0.00002   0.00108   0.00060   0.00167  -1.35835
   D366       2.70270  -0.00003  -0.00054   0.00176   0.00121   2.70391
   D367      -1.39327  -0.00004   0.00058   0.00187   0.00245  -1.39082
   D368       0.03101   0.00000   0.00289   0.00070   0.00359   0.03459
   D369      -2.73100   0.00000   0.00221   0.00233   0.00455  -2.72645
   D370       0.42797   0.00000   0.00308   0.00073   0.00382   0.43179
   D371      -2.33403   0.00001   0.00240   0.00237   0.00478  -2.32926
   D372       0.61245   0.00000   0.00422   0.00101   0.00522   0.61767
   D373      -2.14956   0.00001   0.00354   0.00264   0.00618  -2.14338
   D374       0.88674  -0.00001   0.00272   0.00040   0.00313   0.88986
   D375      -1.87526  -0.00001   0.00204   0.00203   0.00408  -1.87118
   D376       0.70159   0.00000   0.00205   0.00035   0.00240   0.70398
   D377      -2.06042   0.00001   0.00137   0.00199   0.00336  -2.05706
   D378       1.03175   0.00000   0.00250   0.00049   0.00299   1.03473
   D379      -1.73025   0.00001   0.00182   0.00213   0.00394  -1.72631
   D380      -2.84060   0.00001   0.00535   0.00142   0.00677  -2.83383
   D381       0.68058   0.00001   0.00467   0.00305   0.00773   0.68831
   D382      -2.28580   0.00001   0.00537   0.00161   0.00698  -2.27882
   D383       1.23538   0.00001   0.00469   0.00325   0.00794   1.24332
   D384      -1.99743   0.00000   0.00339   0.00087   0.00426  -1.99317
   D385       1.52376   0.00000   0.00271   0.00251   0.00521   1.52897
   D386      -1.64997   0.00000   0.00228   0.00056   0.00284  -1.64713
   D387       1.87122   0.00000   0.00160   0.00220   0.00380   1.87501
   D388      -1.76878   0.00000   0.00554   0.00217   0.00769  -1.76109
   D389       1.75240   0.00001   0.00486   0.00381   0.00865   1.76105
   D390      -1.07119  -0.00002   0.00039   0.00037   0.00078  -1.07041
   D391       2.44999  -0.00002  -0.00029   0.00201   0.00174   2.45173
   D392       1.77137  -0.00001   0.00225   0.00054   0.00280   1.77417
   D393      -0.99063  -0.00001   0.00157   0.00218   0.00376  -0.98687
   D394       2.07094  -0.00001   0.00249   0.00051   0.00300   2.07395
   D395      -0.69106   0.00000   0.00181   0.00215   0.00396  -0.68710
   D396       2.01628   0.00000   0.00271   0.00048   0.00319   2.01947
   D397      -0.74572   0.00000   0.00203   0.00212   0.00414  -0.74158
   D398       2.20825   0.00000   0.00344   0.00056   0.00400   2.21225
   D399      -0.55376   0.00000   0.00276   0.00220   0.00496  -0.54879
   D400       2.47377  -0.00001   0.00218   0.00049   0.00268   2.47645
   D401      -0.28823   0.00000   0.00150   0.00213   0.00363  -0.28460
   D402      -1.49453   0.00001  -0.00070  -0.00087  -0.00157  -1.49610
   D403       2.02665   0.00002  -0.00138   0.00077  -0.00061   2.02604
   D404      -2.59904   0.00000  -0.00006  -0.00054  -0.00061  -2.59964
   D405       0.92215   0.00000  -0.00074   0.00110   0.00035   0.92250
   D406      -2.97008  -0.00002  -0.00002   0.00035   0.00032  -2.96975
   D407       0.55111  -0.00002  -0.00070   0.00199   0.00128   0.55239
   D408       1.84186   0.00002   0.00387   0.00066   0.00453   1.84640
   D409       2.34299   0.00001   0.00398   0.00061   0.00459   2.34758
   D410       2.56195   0.00001   0.00434   0.00050   0.00485   2.56679
   D411       2.79884  -0.00001   0.00272  -0.00023   0.00249   2.80134
   D412       2.78534   0.00000   0.00439   0.00063   0.00501   2.79035
   D413      -3.01527  -0.00001   0.00448   0.00048   0.00496  -3.01031
   D414      -0.82331   0.00001   0.00376   0.00037   0.00413  -0.81918
   D415      -0.44744   0.00001   0.00387   0.00040   0.00428  -0.44316
   D416      -0.12912   0.00001   0.00376   0.00033   0.00409  -0.12503
   D417       0.17802   0.00001   0.00384   0.00033   0.00416   0.18219
   D418      -0.32428   0.00002   0.00397   0.00047   0.00445  -0.31983
   D419      -0.01528   0.00003   0.00407   0.00058   0.00465  -0.01063
   D420      -2.61907  -0.00001   0.00298   0.00011   0.00309  -2.61598
   D421      -2.23859   0.00000   0.00323   0.00013   0.00336  -2.23523
   D422      -1.99647  -0.00001   0.00345   0.00009   0.00355  -1.99292
   D423      -1.68240   0.00000   0.00355   0.00007   0.00363  -1.67877
   D424      -2.02223   0.00001   0.00305   0.00024   0.00329  -2.01894
   D425       1.35334  -0.00001   0.00107  -0.00164  -0.00057   1.35277
   D426       2.49257   0.00000  -0.00003  -0.00105  -0.00109   2.49147
   D427       2.94625   0.00002  -0.00003  -0.00053  -0.00056   2.94569
   D428      -3.06755   0.00004  -0.00003   0.00023   0.00020  -3.06735
   D429       0.02007   0.00004   0.00117   0.00058   0.00175   0.02182
   D430       0.04451   0.00002  -0.00002  -0.00012  -0.00014   0.04437
   D431       3.13213   0.00002   0.00118   0.00024   0.00141   3.13354
   D432      -0.06342  -0.00004  -0.00656  -0.00237  -0.00893  -0.07236
   D433       2.03338  -0.00003  -0.00587  -0.00229  -0.00817   2.02520
   D434      -2.16268  -0.00004  -0.00631  -0.00217  -0.00846  -2.17114
   D435       3.12942  -0.00004  -0.00772  -0.00271  -0.01042   3.11900
   D436      -1.05696  -0.00003  -0.00703  -0.00263  -0.00967  -1.06663
   D437       1.03017  -0.00004  -0.00747  -0.00250  -0.00996   1.02021
   D438      -2.33871  -0.00001  -0.00031  -0.00018  -0.00049  -2.33920
   D439      -0.24666  -0.00004  -0.00004  -0.00024  -0.00029  -0.24694
   D440       1.86128  -0.00001   0.00004  -0.00028  -0.00024   1.86104
   D441       0.75149  -0.00002   0.00086   0.00015   0.00101   0.75250
   D442       2.84354  -0.00004   0.00113   0.00009   0.00122   2.84476
   D443      -1.33171  -0.00001   0.00121   0.00006   0.00126  -1.33044
   D444      -0.00778  -0.00001   0.00086   0.00003   0.00089  -0.00688
   D445       3.11879   0.00000   0.00063   0.00000   0.00063   3.11941
   D446      -3.12844  -0.00001   0.00098   0.00000   0.00098  -3.12746
   D447      -0.00188  -0.00001   0.00076  -0.00004   0.00072  -0.00116
   D448       2.43921   0.00000  -0.00388  -0.00058  -0.00445   2.43475
   D449      -1.75859   0.00000  -0.00390  -0.00063  -0.00453  -1.76311
   D450       0.34916   0.00001  -0.00396  -0.00070  -0.00466   0.34450
   D451      -0.68808   0.00000  -0.00366  -0.00054  -0.00420  -0.69228
   D452       1.39731   0.00000  -0.00368  -0.00060  -0.00428   1.39304
   D453      -2.77812   0.00001  -0.00375  -0.00067  -0.00441  -2.78253
   D454       2.06968  -0.00001  -0.00027   0.00000  -0.00027   2.06942
   D455      -2.12856   0.00000  -0.00026  -0.00001  -0.00028  -2.12884
   D456      -0.03494  -0.00001  -0.00015   0.00000  -0.00015  -0.03508
   D457      -1.08622  -0.00001  -0.00048  -0.00003  -0.00051  -1.08674
   D458       0.99872   0.00000  -0.00048  -0.00005  -0.00052   0.99819
   D459       3.09234  -0.00001  -0.00036  -0.00003  -0.00040   3.09195
   D460      -3.07799   0.00000  -0.00049  -0.00026  -0.00075  -3.07874
   D461      -0.03147   0.00001  -0.00060  -0.00015  -0.00075  -0.03222
   D462       0.07730   0.00002  -0.00055  -0.00004  -0.00060   0.07670
   D463       3.12382   0.00003  -0.00066   0.00006  -0.00060   3.12322
   D464       1.92695   0.00001   0.00039   0.00015   0.00054   1.92749
   D465      -2.27365   0.00001   0.00072   0.00011   0.00083  -2.27283
   D466      -0.18068   0.00002   0.00058   0.00022   0.00080  -0.17989
   D467      -1.12336   0.00000   0.00045   0.00003   0.00048  -1.12288
   D468       0.95922   0.00000   0.00078  -0.00002   0.00077   0.95999
   D469       3.05219   0.00001   0.00065   0.00009   0.00074   3.05293
   D470      -1.62614  -0.00001  -0.00725  -0.00137  -0.00863  -1.63477
   D471       0.47818  -0.00001  -0.00733  -0.00133  -0.00866   0.46952
   D472       2.56934  -0.00001  -0.00649  -0.00127  -0.00776   2.56158
   D473       1.42457   0.00000  -0.00734  -0.00126  -0.00860   1.41597
   D474      -2.75430   0.00000  -0.00741  -0.00121  -0.00863  -2.76293
   D475      -0.66313   0.00000  -0.00658  -0.00116  -0.00773  -0.67086
   D476       0.00104   0.00009   0.00496   0.00114   0.00610   0.00715
   D477      -3.11363   0.00008  -0.00191   0.00080  -0.00111  -3.11475
   D478       3.11869   0.00006   0.00526   0.00106   0.00632   3.12501
   D479       0.00401   0.00005  -0.00161   0.00073  -0.00089   0.00312
   D480      -0.30299   0.00005  -0.00739  -0.00108  -0.00848  -0.31146
   D481       1.80482   0.00002  -0.00813  -0.00110  -0.00923   1.79559
   D482      -2.39256  -0.00001  -0.00683  -0.00157  -0.00839  -2.40095
   D483       2.81289   0.00005  -0.00083  -0.00075  -0.00159   2.81130
   D484      -1.36249   0.00003  -0.00157  -0.00077  -0.00234  -1.36482
   D485       0.72332   0.00000  -0.00026  -0.00124  -0.00150   0.72181
   D486       0.03052  -0.00003   0.00802  -0.00297   0.00505   0.03557
   D487       2.12152   0.00002   0.00719  -0.00265   0.00454   2.12606
   D488      -2.07468  -0.00001   0.00770  -0.00290   0.00480  -2.06988
   D489      -3.08540  -0.00004   0.00149  -0.00331  -0.00182  -3.08722
   D490      -0.99440   0.00001   0.00066  -0.00299  -0.00233  -0.99673
   D491       1.09259  -0.00001   0.00117  -0.00324  -0.00207   1.09052
         Item               Value     Threshold  Converged?
 Maximum Force            0.000089     0.000450     YES
 RMS     Force            0.000016     0.000300     YES
 Maximum Displacement     0.034428     0.001800     NO 
 RMS     Displacement     0.003852     0.001200     NO 
 Predicted change in Energy=-3.510186D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:19:14 2016, MaxMem=  2952790016 cpu:         5.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.864746   -0.602066    1.685536
      2          6           0       -2.124898    1.024138   -1.405189
      3          8           0       -2.613950    0.034778   -1.976878
      4          7           0       -0.848552    1.120732   -0.941721
      5          1           0       -2.721734    1.933771   -1.192142
      6          6           0       -0.389361    2.294851   -0.198832
      7          1           0       -1.190265    3.046461   -0.166259
      8          1           0       -0.118250    2.004738    0.829215
      9          1           0        0.498037    2.727425   -0.689062
     10          6           0        0.116422    0.031188   -1.103147
     11          1           0        0.641414   -0.133150   -0.149250
     12          1           0       -0.413994   -0.885261   -1.392651
     13          1           0        0.861175    0.288564   -1.874343
     14          6           0       -1.981728   -4.030886    2.625997
     15          8           0       -2.141100   -3.883186    3.849685
     16          7           0       -2.899830   -3.731231    1.667383
     17          1           0       -1.034167   -4.414454    2.198682
     18          6           0       -4.218828   -3.191778    2.007510
     19          1           0       -4.480869   -2.406505    1.280804
     20          1           0       -4.985719   -3.983173    1.966158
     21          1           0       -4.188586   -2.763245    3.017820
     22          6           0       -2.612844   -3.913696    0.244394
     23          1           0       -3.312846   -4.643315   -0.194827
     24          1           0       -2.729590   -2.953598   -0.285303
     25          1           0       -1.582085   -4.273235    0.118014
     26          6           0        1.531815    0.370547    2.613605
     27          8           0        1.368669    1.388850    3.306881
     28          7           0        1.146081   -0.888578    2.956869
     29          1           0        2.010992    0.409396    1.615475
     30          6           0        1.449909   -2.041365    2.108778
     31          1           0        2.199614   -2.688313    2.594699
     32          1           0        0.535007   -2.632501    1.944647
     33          1           0        1.835504   -1.694589    1.140361
     34          6           0        0.511916   -1.162776    4.248838
     35          1           0        1.264125   -1.469284    4.995785
     36          1           0       -0.002255   -0.258829    4.599037
     37          1           0       -0.215199   -1.978295    4.124221
     38          6           0       -4.564580    1.344328    2.911034
     39          8           0       -4.797076    2.032945    1.903170
     40          7           0       -3.458950    1.440171    3.699343
     41          1           0       -5.256617    0.547198    3.250728
     42          6           0       -2.399895    2.414120    3.422001
     43          1           0       -2.491107    2.763755    2.385625
     44          1           0       -2.474988    3.272164    4.110815
     45          1           0       -1.420017    1.932685    3.561901
     46          6           0       -3.261028    0.558016    4.850191
     47          1           0       -4.093986   -0.156124    4.914149
     48          1           0       -2.316627    0.000080    4.736562
     49          1           0       -3.209640    1.148662    5.779585
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.502113   0.000000
     3  O    3.792117   1.242913   0.000000
     4  N    3.301993   1.361320   2.316781   0.000000
     5  H    3.930130   1.108618   2.057572   2.057317   0.000000
     6  C    3.757623   2.466191   3.635680   1.463316   2.560665
     7  H    4.146784   2.549172   3.791498   2.103935   2.153117
     8  H    3.252532   3.159237   4.240686   2.109745   3.296824
     9  H    4.723025   3.208397   4.311992   2.111540   3.354087
    10  C    3.478906   2.469958   2.866767   1.464357   3.418021
    11  H    3.141204   3.251027   3.737087   2.102434   4.082958
    12  H    3.414692   2.563816   2.455118   2.101473   3.648672
    13  H    4.571280   3.110917   3.485888   2.117889   4.001167
    14  C    3.557381   6.467165   6.173798   6.368035   7.120598
    15  O    3.940261   7.189978   7.037248   7.047513   7.719723
    16  N    3.295967   5.714433   5.248351   5.878495   6.348294
    17  H    3.935414   6.614821   6.302910   6.366699   7.392261
    18  C    3.514538   5.814206   5.372303   6.217271   6.224975
    19  H    3.203733   4.953227   4.478586   5.529443   5.296037
    20  H    4.609892   6.680077   6.108744   7.184828   7.078892
    21  H    3.441788   6.177870   5.937627   6.474493   6.475908
    22  C    3.688283   5.228901   4.530397   5.464893   6.022321
    23  H    4.686625   5.915760   5.054574   6.313068   6.678481
    24  H    3.187768   4.176384   3.435868   4.535345   4.970794
    25  H    4.001813   5.538677   4.900234   5.545808   6.445326
    26  C    3.652933   5.472608   6.194566   4.343877   5.917775
    27  O    4.128859   5.877213   6.753730   4.799851   6.104878
    28  N    3.280771   5.778005   6.271546   4.818184   6.335609
    29  H    4.006159   5.158285   5.868171   3.901569   5.710090
    30  C    3.638359   5.875757   6.125186   4.958561   6.640812
    31  H    4.658115   6.962959   7.175301   6.025480   7.741026
    32  H    3.154143   5.627388   5.692861   4.932759   6.426246
    33  H    3.896496   5.436551   5.701362   4.411945   6.274869
    34  C    3.540260   6.610855   7.068572   5.831568   7.046230
    35  H    4.636772   7.659967   8.119095   6.813631   8.109149
    36  H    3.474935   6.496333   7.081653   5.772296   6.763195
    37  H    3.249954   6.575403   6.857833   5.972342   7.060502
    38  C    3.546745   4.968335   5.423243   5.357479   4.536472
    39  O    3.948316   4.370751   4.879905   4.951401   3.727980
    40  N    3.281407   5.292355   5.908353   5.334387   4.971292
    41  H    3.908378   5.631403   5.879976   6.110368   5.299746
    42  C    3.521232   5.030849   5.903811   4.808491   4.650229
    43  H    3.494453   4.186962   5.147217   4.058170   3.680011
    44  H    4.611294   5.966782   6.896374   5.727309   5.474809
    45  H    3.184885   5.098460   5.975416   4.611773   4.929035
    46  C    3.648346   6.374781   6.877598   6.299439   6.220395
    47  H    3.948711   6.723419   7.050759   6.815748   6.598297
    48  H    3.142537   6.229491   6.720110   5.971097   6.249224
    49  H    4.651347   7.267265   7.858645   7.124006   7.032739
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098830   0.000000
     8  H    1.102065   1.795932   0.000000
     9  H    1.102235   1.795959   1.790880   0.000000
    10  C    2.489532   3.417172   2.772002   2.754413   0.000000
    11  H    2.638208   3.669505   2.470840   2.914591   1.101155
    12  H    3.396899   4.191071   3.657356   3.791877   1.097739
    13  H    2.897648   3.838223   3.348695   2.735837   1.102562
    14  C    7.108462   7.649310   6.567323   7.925504   5.899932
    15  O    7.591259   8.065476   6.919740   8.441886   6.704421
    16  N    6.789614   7.226476   6.429701   7.668935   5.561421
    17  H    7.153923   7.828318   6.627245   7.854498   5.655940
    18  C    7.045272   7.267262   6.723607   8.034754   6.233625
    19  H    6.405662   6.531225   6.220566   7.418026   5.723692
    20  H    8.076340   8.268520   7.799998   9.063878   7.181056
    21  H    7.096851   7.271930   6.640127   8.114978   6.582121
    22  C    6.609566   7.115908   6.449254   7.392794   4.982656
    23  H    7.528939   7.977395   7.446524   8.312334   5.868211
    24  H    5.747205   6.195515   5.713699   6.546344   4.204474
    25  H    6.683018   7.335686   6.485489   7.347620   4.785835
    26  C    3.911990   4.722064   2.928710   4.187026   3.991585
    27  O    4.025113   4.621528   2.954501   4.303179   4.781184
    28  N    4.738170   5.540485   3.807457   5.175737   4.288345
    29  H    3.550823   4.514060   2.774345   3.601830   3.335168
    30  C    5.245069   6.167032   4.524086   5.610288   4.048472
    31  H    6.272043   7.211228   5.523962   6.558099   5.040778
    32  H    5.452316   6.299452   4.814033   5.972151   4.069336
    33  H    4.760157   5.774088   4.195115   4.968885   3.311628
    34  C    5.705195   6.333102   4.703624   6.286232   5.497792
    35  H    6.624709   7.284414   5.598223   7.107513   6.384795
    36  H    5.448915   5.919827   4.398721   6.093603   5.710788
    37  H    6.081027   6.678858   5.170205   6.769062   5.610113
    38  C    5.292185   4.873704   4.953783   6.364255   6.304742
    39  O    4.890292   4.280051   4.800582   5.936345   6.098150
    40  N    5.034741   4.761300   4.440343   6.047550   6.150807
    41  H    6.216425   5.870037   5.864381   7.306940   6.934843
    42  C    4.143297   3.839098   3.477936   5.039545   5.699753
    43  H    3.364019   2.878233   2.937511   4.288357   5.141757
    44  H    4.886516   4.471557   4.234322   5.672252   6.663688
    45  H    3.916188   3.897750   3.027765   4.730880   5.266783
    46  C    6.062648   5.970359   5.304555   7.037061   6.864907
    47  H    6.773042   6.670734   6.096104   7.797276   7.346460
    48  H    5.773945   5.881053   4.911097   6.693142   6.326365
    49  H    6.708889   6.559922   5.898790   7.621204   7.725506
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795996   0.000000
    13  H    1.789436   1.798873   0.000000
    14  C    5.456667   5.338753   6.855129   0.000000
    15  O    6.147896   6.281125   7.692960   1.242830   0.000000
    16  N    5.365328   4.862379   6.545817   1.360752   2.315427
    17  H    5.162356   5.073213   6.503862   1.107969   2.057512
    18  C    6.134229   5.599811   7.279284   2.468044   2.861574
    19  H    5.783682   5.099120   6.764301   3.270147   3.775481
    20  H    7.138785   6.463693   8.196545   3.075975   3.413140
    21  H    6.346387   6.101363   7.664651   2.575007   2.477593
    22  C    5.003766   4.084884   5.849515   2.466591   3.636151
    23  H    5.998319   4.895008   6.675826   3.178677   4.278885
    24  H    4.397398   3.296396   5.092176   3.193041   4.278852
    25  H    4.706982   3.889076   5.545179   2.551162   3.793416
    26  C    2.946166   4.627452   4.538519   5.631852   5.754341
    27  O    3.845807   5.516799   5.321021   6.407987   6.356687
    28  N    3.236254   4.620841   4.980707   4.445983   4.535455
    29  H    2.298773   4.074987   3.676345   6.056325   6.376348
    30  C    3.064904   4.131672   4.651927   4.000231   4.395271
    31  H    4.060308   5.097147   5.534035   4.391709   4.673811
    32  H    3.262282   3.884715   4.819096   2.958661   3.514958
    33  H    2.350966   3.483016   3.737733   4.715576   5.286187
    34  C    4.518858   5.723699   6.302517   4.132545   3.820791
    35  H    5.352048   6.630934   7.102891   4.765843   4.328513
    36  H    4.793364   6.038400   6.553610   4.694636   4.274593
    37  H    4.732959   5.627621   6.502307   3.094904   2.722696
    38  C    6.216966   6.381234   7.311176   5.970369   5.837913
    39  O    6.203351   6.212067   7.023409   6.724485   6.770800
    40  N    5.839520   6.372425   7.145324   5.767731   5.486115
    41  H    6.841747   6.860314   7.985025   5.663395   5.449174
    42  C    5.337788   6.165274   6.572962   6.507426   6.317116
    43  H    4.962896   5.648459   5.959169   6.817946   6.815262
    44  H    6.281424   7.198613   7.473551   7.468770   7.167893
    45  H    4.721209   5.787961   6.120434   6.062641   5.867464
    46  C    6.379747   7.011543   7.892054   5.257534   4.688232
    47  H    6.932716   7.338237   8.416353   4.971022   4.340258
    48  H    5.713048   6.478511   7.340689   4.562382   3.987118
    49  H    7.185036   7.962001   8.711711   6.187132   5.494159
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056641   0.000000
    18  C    1.465077   3.416657   0.000000
    19  H    2.098577   4.093179   1.101554   0.000000
    20  H    2.122186   3.981813   1.102787   1.791777   0.000000
    21  H    2.102753   3.653469   1.097853   1.797197   1.797119
    22  C    1.463062   2.561683   2.491772   2.614438   2.932548
    23  H    2.114309   3.312648   2.788915   2.923197   2.811431
    24  H    2.108714   3.343462   2.744367   2.412256   3.349510
    25  H    2.104938   2.156232   3.419379   3.638641   3.883876
    26  C    6.112233   5.445425   6.791716   6.755794   7.864624
    27  O    6.864638   6.378092   7.341024   7.261322   8.428191
    28  N    5.110073   4.214277   5.915087   6.064311   6.939524
    29  H    6.423679   5.734340   7.206441   7.084177   8.268712
    30  C    4.687292   3.436607   5.785178   5.999417   6.723709
    31  H    5.286958   3.686968   6.464879   6.814293   7.328079
    32  H    3.616930   2.387927   4.787033   5.064659   5.683589
    33  H    5.181607   4.093009   6.296702   6.357918   7.242143
    34  C    4.990078   4.143299   5.614298   5.940033   6.587052
    35  H    5.790785   4.666900   6.477619   6.905391   7.386395
    36  H    5.389629   4.908744   5.753058   5.973371   6.755568
    37  H    4.039316   3.211429   4.688502   5.144349   5.606659
    38  C    5.484466   6.792263   4.638120   4.090649   5.427008
    39  O    6.072961   7.470995   5.257660   4.494000   6.019404
    40  N    5.584342   6.512157   4.989456   4.657313   5.894711
    41  H    5.134820   6.599536   4.074621   3.634109   4.716754
    42  C    6.410457   7.070442   6.060973   5.670415   7.052044
    43  H    6.547348   7.326957   6.212597   5.649015   7.205559
    44  H    7.429562   8.050858   7.017650   6.654307   7.971401
    45  H    6.152965   6.503339   6.042317   5.779341   7.089287
    46  C    5.353351   6.059279   4.801996   4.797595   5.649301
    47  H    4.974826   5.905052   4.204680   4.291281   4.912448
    48  H    4.866484   5.251062   4.610211   4.734750   5.537643
    49  H    6.389017   6.964468   5.838359   5.873182   6.635692
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390928   0.000000
    23  H    3.823962   1.102389   0.000000
    24  H    3.616009   1.102722   1.789837   0.000000
    25  H    4.181243   1.098956   1.797321   1.794679   0.000000
    26  C    6.535062   6.414522   7.516438   6.132959   6.122831
    27  O    6.943092   7.303989   8.400330   6.968240   7.136878
    28  N    5.654800   5.535194   6.626708   5.458646   5.192099
    29  H    7.104012   6.476793   7.559784   6.115211   6.089304
    30  C    5.756744   4.846392   5.895810   4.902246   4.258800
    31  H    6.402636   5.494110   6.480023   5.715054   4.790323
    32  H    4.845732   3.800169   4.840113   3.966532   3.242017
    33  H    6.399730   5.051236   6.081383   4.945474   4.401650
    34  C    5.115821   5.776440   6.818293   5.854302   5.578845
    35  H    5.942957   6.601648   7.613513   6.785488   6.305212
    36  H    5.128129   6.255888   7.291423   6.209421   6.220199
    37  H    4.198580   4.954546   5.945748   5.168876   4.815062
    38  C    4.126128   6.210239   6.860400   5.661796   6.946456
    39  O    4.961465   6.548659   7.153808   5.824905   7.300058
    40  N    4.320365   6.427788   7.224591   5.976168   6.999396
    41  H    3.486254   5.993926   6.526218   5.580766   6.822951
    42  C    5.492530   7.084052   7.982626   6.531861   7.503723
    43  H    5.816256   7.013418   7.886614   6.314971   7.449001
    44  H    6.368455   8.161176   9.049606   7.625667   8.583285
    45  H    5.478390   6.827067   7.806380   6.355448   7.099300
    46  C    3.904961   6.452109   7.246291   6.243969   6.968022
    47  H    3.225228   6.174119   6.844465   6.059847   6.801703
    48  H    3.754234   5.965313   6.846325   5.840709   6.334963
    49  H    4.887607   7.524757   8.321733   7.337701   8.006203
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242654   0.000000
    28  N    1.360888   2.314894   0.000000
    29  H    1.107873   2.057368   2.057218   0.000000
    30  C    2.465538   3.634340   1.463041   2.562107   0.000000
    31  H    3.130964   4.221484   2.116635   3.254268   1.103050
    32  H    3.234104   4.326885   2.106958   3.397061   1.101557
    33  H    2.554890   3.797281   2.103488   2.164090   1.098530
    34  C    2.462775   2.851684   1.465105   3.413730   2.496319
    35  H    3.021824   3.321484   2.123283   3.938749   2.949000
    36  H    2.586779   2.502788   2.100470   3.660783   3.389337
    37  H    3.294097   3.809770   2.098398   4.117135   2.615067
    38  C    6.180838   5.946606   6.131853   6.766884   6.948426
    39  O    6.582033   6.356231   6.705721   7.004889   7.461039
    40  N    5.218301   4.843817   5.213507   5.943506   6.224781
    41  H    6.820553   6.678768   6.568284   7.450583   7.278888
    42  C    4.504225   3.907238   4.868071   5.170917   6.032984
    43  H    4.686504   4.199636   5.186038   5.138582   6.220726
    44  H    5.168703   4.355098   5.635202   5.877599   6.902649
    45  H    3.471722   2.852641   3.861405   4.228570   5.112839
    46  C    5.292335   4.950372   5.009981   6.187056   6.038630
    47  H    6.100781   5.900072   5.641431   6.962171   6.492998
    48  H    4.410749   4.189758   3.993416   5.351356   5.025888
    49  H    5.754154   5.208922   5.575875   6.718729   6.735169
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787904   0.000000
    33  H    1.798656   1.793836   0.000000
    34  C    2.812786   2.733116   3.420138   0.000000
    35  H    2.850681   3.345763   3.904041   1.103493   0.000000
    36  H    3.842914   3.601215   4.171476   1.097329   1.796199
    37  H    2.945316   2.396108   3.631707   1.099681   1.790843
    38  C    7.881408   6.538720   7.302834   5.817740   6.799736
    39  O    8.468894   7.085140   7.646405   6.625722   7.652976
    40  N    7.091119   5.968023   6.663810   4.779650   5.696765
    41  H    8.154403   6.734927   7.731588   6.098870   7.044963
    42  C    6.919158   6.022010   6.326609   4.685775   5.566208
    43  H    7.195250   6.202532   6.336172   5.282741   6.231639
    44  H    7.725141   6.972619   7.216133   5.348769   6.102907
    45  H    5.949019   5.222887   5.442370   3.712967   4.564432
    46  C    6.741254   5.747300   6.694155   4.190209   4.960661
    47  H    7.169466   6.031414   7.194944   4.761336   5.517283
    48  H    5.675515   4.780908   5.748458   3.096896   3.879177
    49  H    7.357031   6.559445   7.420240   4.640680   5.242381
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796485   0.000000
    38  C    5.121941   5.606137   0.000000
    39  O    5.959046   6.482030   1.242593   0.000000
    40  N    3.955350   4.731634   1.361262   2.316937   0.000000
    41  H    5.484153   5.705875   1.108929   2.057798   2.056761
    42  C    3.778723   4.955737   2.468077   2.863323   1.465296
    43  H    4.497731   5.539812   2.567123   2.466646   2.101059
    44  H    4.338281   5.716130   3.085842   3.435325   2.119832
    45  H    2.808636   4.130806   3.264669   3.763770   2.102072
    46  C    3.368963   4.029514   2.465332   3.635903   1.463497
    47  H    4.105132   4.357670   2.546622   3.788450   2.104088
    48  H    2.332866   2.950412   3.192624   4.279402   2.110590
    49  H    3.696220   4.635167   3.178479   4.281180   2.115311
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.416957   0.000000
    43  H    3.648229   1.097560   0.000000
    44  H    3.987813   1.102879   1.798616   0.000000
    45  H    4.090954   1.100687   1.794863   1.791221   0.000000
    46  C    2.557494   2.495275   3.395902   2.920811   2.634146
    47  H    2.147869   3.420907   4.181907   3.875520   3.652644
    48  H    3.339249   2.750017   3.632526   3.335142   2.432838
    49  H    3.308624   2.795581   3.826719   2.798886   2.955599
                   46         47         48         49
    46  C    0.000000
    47  H    1.099047   0.000000
    48  H    1.102768   1.793026   0.000000
    49  H    1.102396   1.798197   1.790142   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2130523      0.1913073      0.1855755
 Leave Link  202 at Mon Nov 14 01:19:14 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.1807101007 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841960881 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.9965140126 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4045
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.26D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     223
 GePol: Fraction of low-weight points (<1% of avg)   =       5.51%
 GePol: Cavity surface area                          =    466.261 Ang**2
 GePol: Cavity volume                                =    458.409 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039919607 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.9925220519 Hartrees.
 Leave Link  301 at Mon Nov 14 01:19:14 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11974 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:19:16 2016, MaxMem=  2952790016 cpu:        14.2
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:19:16 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000792    0.001569    0.000841
         Rot=    1.000000   -0.000138   -0.000019   -0.000193 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50897810208    
 Leave Link  401 at Mon Nov 14 01:19:22 2016, MaxMem=  2952790016 cpu:        79.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49086075.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   1923.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.03D-15 for   2295    111.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.77D-15 for   2581.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.62D-10 for   2729   2267.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.77D-15 for    401.
 Iteration    2 A*A^-1 deviation from orthogonality  is 8.75D-15 for   2317    124.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   3180.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.16D-15 for   2699   1146.
 E= -1013.45101425291    
 DIIS: error= 2.67D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45101425291     IErMin= 1 ErrMin= 2.67D-04
 ErrMax= 2.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.87D-05 BMatP= 9.87D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.67D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.87D-05 MaxDP=2.06D-03              OVMax= 2.81D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.87D-05    CP:  1.00D+00
 E= -1013.45117959319     Delta-E=       -0.000165340287 Rises=F Damp=F
 DIIS: error= 5.28D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45117959319     IErMin= 2 ErrMin= 5.28D-05
 ErrMax= 5.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-06 BMatP= 9.87D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-01 0.977D+00
 Coeff:      0.235D-01 0.977D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.14D-05 MaxDP=6.71D-04 DE=-1.65D-04 OVMax= 1.20D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.12D-05    CP:  1.00D+00  9.63D-01
 E= -1013.45117304887     Delta-E=        0.000006544329 Rises=F Damp=F
 DIIS: error= 1.58D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45117959319     IErMin= 2 ErrMin= 5.28D-05
 ErrMax= 1.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.72D-06 BMatP= 1.90D-06
 IDIUse=3 WtCom= 4.43D-01 WtEn= 5.57D-01
 Coeff-Com:  0.277D-02 0.705D+00 0.292D+00
 Coeff-En:   0.000D+00 0.785D+00 0.215D+00
 Coeff:      0.123D-02 0.749D+00 0.249D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.29D-06 MaxDP=5.08D-04 DE= 6.54D-06 OVMax= 8.70D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.27D-06    CP:  1.00D+00  9.72D-01  4.20D-01
 E= -1013.45118121738     Delta-E=       -0.000008168518 Rises=F Damp=F
 DIIS: error= 9.85D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45118121738     IErMin= 4 ErrMin= 9.85D-06
 ErrMax= 9.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-07 BMatP= 1.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.388D-04 0.268D+00 0.823D-01 0.650D+00
 Coeff:     -0.388D-04 0.268D+00 0.823D-01 0.650D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.45D-06 MaxDP=7.50D-05 DE=-8.17D-06 OVMax= 7.41D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.74D-07    CP:  1.00D+00  9.76D-01  3.58D-01  7.27D-01
 E= -1013.45118128879     Delta-E=       -0.000000071409 Rises=F Damp=F
 DIIS: error= 9.19D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45118128879     IErMin= 5 ErrMin= 9.19D-06
 ErrMax= 9.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.54D-08 BMatP= 1.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.349D-04 0.145D+00 0.417D-01 0.430D+00 0.383D+00
 Coeff:     -0.349D-04 0.145D+00 0.417D-01 0.430D+00 0.383D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.51D-07 MaxDP=3.77D-05 DE=-7.14D-08 OVMax= 4.17D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.17D-07    CP:  1.00D+00  9.77D-01  3.56D-01  7.39D-01  6.39D-01
 E= -1013.45118131790     Delta-E=       -0.000000029102 Rises=F Damp=F
 DIIS: error= 7.04D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45118131790     IErMin= 6 ErrMin= 7.04D-07
 ErrMax= 7.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-10 BMatP= 3.54D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.178D-04 0.419D-01 0.118D-01 0.133D+00 0.155D+00 0.658D+00
 Coeff:     -0.178D-04 0.419D-01 0.118D-01 0.133D+00 0.155D+00 0.658D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.71D-08 MaxDP=4.13D-06 DE=-2.91D-08 OVMax= 6.10D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.61D-08    CP:  1.00D+00  9.77D-01  3.57D-01  7.43D-01  6.38D-01
                    CP:  8.89D-01
 E= -1013.45118131827     Delta-E=       -0.000000000372 Rises=F Damp=F
 DIIS: error= 2.89D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45118131827     IErMin= 7 ErrMin= 2.89D-07
 ErrMax= 2.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.73D-11 BMatP= 3.85D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-04 0.104D-01 0.295D-02 0.355D-01 0.519D-01 0.366D+00
 Coeff-Com:  0.533D+00
 Coeff:     -0.117D-04 0.104D-01 0.295D-02 0.355D-01 0.519D-01 0.366D+00
 Coeff:      0.533D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.64D-08 MaxDP=1.27D-06 DE=-3.72D-10 OVMax= 1.69D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.92D-08    CP:  1.00D+00  9.76D-01  3.57D-01  7.43D-01  6.40D-01
                    CP:  8.93D-01  7.31D-01
 E= -1013.45118131830     Delta-E=       -0.000000000032 Rises=F Damp=F
 DIIS: error= 4.49D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45118131830     IErMin= 8 ErrMin= 4.49D-08
 ErrMax= 4.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-12 BMatP= 7.73D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.452D-05 0.172D-02 0.524D-03 0.649D-02 0.120D-01 0.113D+00
 Coeff-Com:  0.229D+00 0.637D+00
 Coeff:     -0.452D-05 0.172D-02 0.524D-03 0.649D-02 0.120D-01 0.113D+00
 Coeff:      0.229D+00 0.637D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.83D-09 MaxDP=4.88D-07 DE=-3.18D-11 OVMax= 6.99D-07

 Error on total polarization charges =  0.04271
 SCF Done:  E(RB97D) =  -1013.45118132     A.U. after    8 cycles
            NFock=  8  Conv=0.88D-08     -V/T= 2.0213
 KE= 9.923519970000D+02 PE=-6.025376635965D+03 EE= 2.172580935595D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:21:05 2016, MaxMem=  2952790016 cpu:      1172.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11974 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     364
 Leave Link  701 at Mon Nov 14 01:21:13 2016, MaxMem=  2952790016 cpu:        97.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:21:13 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:21:50 2016, MaxMem=  2952790016 cpu:       439.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.36769685D+00-2.75110618D+00 3.33892654D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000226291   -0.000458660   -0.000019053
      2        6          -0.000022154    0.000133076    0.000031828
      3        8           0.000026059    0.000007077    0.000067001
      4        7           0.000082605    0.000059722    0.000052122
      5        1           0.000032026    0.000046607   -0.000025483
      6        6          -0.000004657    0.000047173    0.000097927
      7        1           0.000048163    0.000047780   -0.000017749
      8        1          -0.000055033    0.000082071    0.000046963
      9        1           0.000029523   -0.000012586    0.000040581
     10        6           0.000071314    0.000017081   -0.000071223
     11        1           0.000013314   -0.000010933    0.000019542
     12        1          -0.000027511    0.000021480    0.000084980
     13        1           0.000017773    0.000019006    0.000018459
     14        6          -0.000024675   -0.000024391   -0.000082066
     15        8          -0.000019381    0.000019516   -0.000023582
     16        7          -0.000012281    0.000022410   -0.000026273
     17        1          -0.000021209   -0.000034211   -0.000019322
     18        6          -0.000053751   -0.000016011   -0.000019590
     19        1          -0.000005300   -0.000009262   -0.000043477
     20        1          -0.000008414    0.000006400   -0.000040631
     21        1           0.000015444    0.000026554   -0.000055949
     22        6          -0.000079391    0.000032842   -0.000076156
     23        1           0.000016655    0.000001388   -0.000032082
     24        1          -0.000060243    0.000036881   -0.000017147
     25        1           0.000008986    0.000034899   -0.000022192
     26        6          -0.000024021    0.000062024    0.000064440
     27        8           0.000006336   -0.000027572    0.000034199
     28        7           0.000016775    0.000015680    0.000047790
     29        1          -0.000026005   -0.000018321    0.000013812
     30        6          -0.000008283    0.000030764   -0.000007570
     31        1          -0.000026841   -0.000034207    0.000007959
     32        1          -0.000022251   -0.000016112   -0.000017216
     33        1           0.000025038   -0.000009641    0.000022025
     34        6           0.000006253   -0.000017886    0.000035134
     35        1          -0.000024874   -0.000028376    0.000009174
     36        1          -0.000051233   -0.000027146   -0.000019293
     37        1          -0.000008871   -0.000030488    0.000002699
     38        6          -0.000070555    0.000012657   -0.000112747
     39        8           0.000059649   -0.000081625   -0.000029518
     40        7          -0.000082302    0.000072557   -0.000002527
     41        1          -0.000007445    0.000012889    0.000013373
     42        6          -0.000192780   -0.000135780   -0.000012930
     43        1          -0.000017514    0.000056186    0.000063520
     44        1           0.000167855    0.000030450    0.000015137
     45        1           0.000001327   -0.000097885    0.000141749
     46        6           0.000034801   -0.000018577   -0.000187770
     47        1          -0.000031591    0.000018272    0.000065388
     48        1           0.000087750    0.000167803   -0.000039201
     49        1          -0.000005372   -0.000031574    0.000024945
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000458660 RMS     0.000067695
 Leave Link  716 at Mon Nov 14 01:21:50 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000074070 RMS     0.000015820
 Search for a local minimum.
 Step number  24 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15820D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   17   18   19   20   21
                                                     22   23   24
 DE= -7.29D-06 DEPred=-3.51D-06 R= 2.08D+00
 TightC=F SS=  1.41D+00  RLast= 9.43D-02 DXNew= 2.2445D+00 2.8286D-01
 Trust test= 2.08D+00 RLast= 9.43D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  0
     Eigenvalues ---    0.00035   0.00081   0.00155   0.00323   0.00350
     Eigenvalues ---    0.00365   0.00434   0.00478   0.00601   0.00701
     Eigenvalues ---    0.00747   0.00774   0.00904   0.00917   0.00946
     Eigenvalues ---    0.00977   0.01024   0.01058   0.01207   0.01282
     Eigenvalues ---    0.01289   0.01361   0.01393   0.01479   0.01525
     Eigenvalues ---    0.01545   0.01621   0.01641   0.01777   0.01785
     Eigenvalues ---    0.01845   0.01880   0.01951   0.01983   0.02083
     Eigenvalues ---    0.02137   0.02208   0.02251   0.02467   0.02540
     Eigenvalues ---    0.02723   0.03004   0.03055   0.03594   0.03874
     Eigenvalues ---    0.04179   0.04384   0.04695   0.05232   0.05515
     Eigenvalues ---    0.05671   0.05944   0.06059   0.06192   0.06611
     Eigenvalues ---    0.06807   0.06936   0.07324   0.07507   0.07800
     Eigenvalues ---    0.07901   0.08166   0.08260   0.08395   0.08460
     Eigenvalues ---    0.08561   0.08636   0.08753   0.08832   0.08859
     Eigenvalues ---    0.09098   0.09274   0.09636   0.09798   0.09872
     Eigenvalues ---    0.10010   0.10074   0.10180   0.10385   0.10488
     Eigenvalues ---    0.10535   0.10612   0.10738   0.11023   0.11241
     Eigenvalues ---    0.11424   0.11578   0.11658   0.12477   0.13283
     Eigenvalues ---    0.13480   0.14549   0.14792   0.15284   0.15396
     Eigenvalues ---    0.15655   0.16448   0.22038   0.23287   0.23572
     Eigenvalues ---    0.23980   0.24434   0.25073   0.25820   0.26522
     Eigenvalues ---    0.27040   0.27838   0.28586   0.29306   0.29732
     Eigenvalues ---    0.29898   0.29985   0.32719   0.32732   0.32821
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33424   0.33457   0.33516   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33833   0.33915   0.33934
     Eigenvalues ---    0.33996   0.34005   0.34147   0.37283   0.39338
     Eigenvalues ---    0.40606   0.41482   0.85940   0.85995   0.86096
     Eigenvalues ---    0.87362
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    24   23   22   21   20
 RFO step:  Lambda=-8.73359307D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  8.29D-06 SmlDif=  1.00D-05
 RMS Error=  0.8310042683D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.93947   -0.69958   -1.36517    1.47562   -0.35033
 Iteration  1 RMS(Cart)=  0.00238924 RMS(Int)=  0.00001117
 Iteration  2 RMS(Cart)=  0.00000666 RMS(Int)=  0.00000622
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000622
 ITry= 1 IFail=0 DXMaxC= 2.50D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.61803  -0.00001  -0.00165   0.00005  -0.00160   6.61643
    R2        6.23986   0.00000   0.00125   0.00073   0.00198   6.24184
    R3        7.10088   0.00006   0.01081   0.00377   0.01457   7.11545
    R4        6.14639   0.00004   0.01169   0.00364   0.01534   6.16173
    R5        6.57418  -0.00005  -0.00402  -0.00137  -0.00539   6.56879
    R6        5.93601  -0.00001  -0.00074   0.00031  -0.00043   5.93558
    R7        6.72248  -0.00002  -0.00071  -0.00041  -0.00112   6.72135
    R8        6.22848   0.00001  -0.00052  -0.00010  -0.00062   6.22785
    R9        6.64151   0.00000   0.00117   0.00044   0.00161   6.64313
   R10        6.05418   0.00002  -0.00084   0.00033  -0.00051   6.05367
   R11        6.96984   0.00002  -0.00131  -0.00043  -0.00175   6.96810
   R12        6.02401   0.00001  -0.00082  -0.00007  -0.00088   6.02313
   R13        6.90304  -0.00001  -0.00318  -0.00069  -0.00387   6.89917
   R14        6.19976   0.00000  -0.00058   0.00002  -0.00056   6.19920
   R15        6.87550   0.00000  -0.00089  -0.00016  -0.00105   6.87445
   R16        5.96047   0.00000  -0.00032  -0.00024  -0.00055   5.95991
   R17        6.69012   0.00000   0.00129   0.00081   0.00211   6.69223
   R18        6.70238  -0.00002   0.00716  -0.00136   0.00580   6.70818
   R19        6.20096   0.00000   0.00243   0.00033   0.00278   6.20374
   R20        6.65416  -0.00001   0.00091   0.00102   0.00195   6.65611
   R21        6.01856  -0.00002  -0.00002  -0.00029  -0.00031   6.01825
   R22        6.89438  -0.00002   0.00310   0.00046   0.00356   6.89794
   R23        5.93853  -0.00003   0.00093   0.00278   0.00371   5.94224
   R24        2.34876  -0.00001   0.00001   0.00004   0.00005   2.34882
   R25        2.57252   0.00003  -0.00002  -0.00004  -0.00006   2.57246
   R26        2.09499   0.00001  -0.00001   0.00001   0.00000   2.09498
   R27        2.76527  -0.00001   0.00038  -0.00016   0.00022   2.76549
   R28        2.76723   0.00003   0.00016  -0.00001   0.00015   2.76738
   R29        2.07649   0.00000   0.00007  -0.00001   0.00007   2.07656
   R30        2.08260  -0.00001  -0.00005  -0.00003  -0.00006   2.08254
   R31        2.08292  -0.00001  -0.00004  -0.00001  -0.00005   2.08287
   R32        2.08088  -0.00001  -0.00012   0.00000  -0.00012   2.08076
   R33        2.07443   0.00000  -0.00001   0.00000  -0.00001   2.07441
   R34        2.08354   0.00000  -0.00003   0.00001  -0.00002   2.08352
   R35        2.34861   0.00001  -0.00003   0.00002  -0.00001   2.34860
   R36        2.57145  -0.00001   0.00006  -0.00002   0.00004   2.57148
   R37        2.09376   0.00000   0.00001   0.00001   0.00001   2.09377
   R38        2.76859  -0.00001   0.00002  -0.00003  -0.00001   2.76859
   R39        2.76479  -0.00001   0.00012  -0.00002   0.00009   2.76488
   R40        2.08164  -0.00001   0.00003  -0.00002   0.00000   2.08164
   R41        2.08396   0.00000  -0.00003   0.00002  -0.00001   2.08396
   R42        2.07464  -0.00001   0.00001  -0.00005  -0.00003   2.07461
   R43        2.08321   0.00000  -0.00001   0.00000   0.00000   2.08321
   R44        2.08384   0.00001  -0.00003   0.00003   0.00002   2.08387
   R45        2.07673   0.00000   0.00001   0.00000   0.00001   2.07673
   R46        2.34828  -0.00001  -0.00003  -0.00001  -0.00004   2.34824
   R47        2.57171   0.00001   0.00014  -0.00001   0.00013   2.57184
   R48        2.09358   0.00000  -0.00001   0.00000  -0.00001   2.09357
   R49        2.76475   0.00002   0.00013  -0.00001   0.00011   2.76485
   R50        2.76865  -0.00001  -0.00008  -0.00001  -0.00010   2.76855
   R51        2.08446   0.00000  -0.00003   0.00001  -0.00002   2.08444
   R52        2.08164   0.00001   0.00014  -0.00003   0.00009   2.08173
   R53        2.07592   0.00000  -0.00001  -0.00001  -0.00002   2.07590
   R54        2.08530   0.00000   0.00003  -0.00001   0.00003   2.08532
   R55        2.07365   0.00000   0.00002  -0.00001   0.00001   2.07366
   R56        2.07810   0.00000   0.00008   0.00001   0.00009   2.07819
   R57        2.34816  -0.00004   0.00005  -0.00001   0.00004   2.34820
   R58        2.57241   0.00002  -0.00007  -0.00009  -0.00020   2.57222
   R59        2.09557   0.00000   0.00005  -0.00002   0.00003   2.09560
   R60        2.76901  -0.00001  -0.00042   0.00004  -0.00041   2.76860
   R61        2.76561  -0.00002  -0.00044   0.00005  -0.00040   2.76520
   R62        2.07409  -0.00002  -0.00017   0.00009  -0.00008   2.07401
   R63        2.08414   0.00002   0.00012  -0.00003   0.00009   2.08423
   R64        2.08000   0.00003  -0.00001  -0.00004  -0.00007   2.07992
   R65        2.07690  -0.00001  -0.00005  -0.00002  -0.00007   2.07683
   R66        2.08393  -0.00001  -0.00006  -0.00004  -0.00010   2.08383
   R67        2.08323   0.00002   0.00015  -0.00003   0.00012   2.08335
    A1        0.68977   0.00000  -0.00059  -0.00029  -0.00089   0.68888
    A2        0.97082  -0.00001  -0.00107  -0.00048  -0.00155   0.96927
    A3        0.72325   0.00001   0.00030   0.00007   0.00036   0.72362
    A4        1.01745   0.00001   0.00023   0.00004   0.00027   1.01772
    A5        2.31643   0.00001   0.00049   0.00033   0.00081   2.31725
    A6        1.99617   0.00001   0.00052   0.00031   0.00084   1.99701
    A7        1.95331   0.00001   0.00057   0.00028   0.00085   1.95416
    A8        1.66030   0.00000   0.00081   0.00031   0.00112   1.66142
    A9        1.62785   0.00001   0.00039   0.00029   0.00068   1.62853
   A10        1.34566   0.00001   0.00037   0.00027   0.00064   1.34630
   A11        1.74127   0.00000  -0.00063  -0.00019  -0.00082   1.74045
   A12        2.03836   0.00000  -0.00028  -0.00004  -0.00033   2.03803
   A13        1.93267   0.00001  -0.00001   0.00012   0.00011   1.93279
   A14        2.01300   0.00001   0.00023   0.00024   0.00047   2.01347
   A15        2.43782   0.00000  -0.00043  -0.00015  -0.00058   2.43724
   A16        1.56436  -0.00003   0.00028  -0.00039  -0.00011   1.56425
   A17        1.78905  -0.00003  -0.00046  -0.00050  -0.00096   1.78809
   A18        1.59697  -0.00001  -0.00095  -0.00046  -0.00142   1.59555
   A19        1.73225   0.00001  -0.00135  -0.00064  -0.00198   1.73027
   A20        2.20117  -0.00003  -0.00071  -0.00052  -0.00122   2.19995
   A21        2.42978  -0.00004  -0.00131  -0.00095  -0.00226   2.42752
   A22        0.65525  -0.00001  -0.00049  -0.00024  -0.00073   0.65453
   A23        0.66297   0.00000  -0.00007  -0.00005  -0.00012   0.66285
   A24        2.37945   0.00001   0.00007   0.00010   0.00017   2.37962
   A25        2.19889   0.00001   0.00029   0.00015   0.00045   2.19934
   A26        2.29626   0.00001   0.00049   0.00018   0.00067   2.29693
   A27        2.03158   0.00001   0.00084   0.00025   0.00109   2.03267
   A28        1.79260   0.00001   0.00017   0.00012   0.00030   1.79290
   A29        1.54725   0.00001   0.00029   0.00018   0.00047   1.54772
   A30        1.34598  -0.00001  -0.00062  -0.00013  -0.00074   1.34524
   A31        1.64232   0.00000  -0.00043  -0.00007  -0.00050   1.64182
   A32        1.58938   0.00000  -0.00039  -0.00004  -0.00043   1.58895
   A33        1.73867   0.00000  -0.00027   0.00000  -0.00027   1.73840
   A34        2.03994  -0.00001  -0.00046  -0.00011  -0.00057   2.03937
   A35        1.79555  -0.00001   0.00090  -0.00011   0.00079   1.79634
   A36        1.88925  -0.00002   0.00032  -0.00020   0.00012   1.88937
   A37        1.56303  -0.00001   0.00004  -0.00014  -0.00011   1.56292
   A38        1.58134   0.00001  -0.00045  -0.00031  -0.00076   1.58058
   A39        2.26797  -0.00003  -0.00029  -0.00026  -0.00055   2.26742
   A40        2.36995  -0.00005  -0.00088  -0.00090  -0.00177   2.36818
   A41        0.69833   0.00001  -0.00049  -0.00021  -0.00070   0.69763
   A42        0.76518   0.00001  -0.00093  -0.00039  -0.00132   0.76386
   A43        2.66501   0.00000  -0.00076  -0.00025  -0.00102   2.66400
   A44        2.59149   0.00000  -0.00054  -0.00018  -0.00071   2.59078
   A45        2.64040   0.00000   0.00007   0.00003   0.00010   2.64051
   A46        2.33434   0.00000   0.00037   0.00011   0.00048   2.33482
   A47        2.18451   0.00001  -0.00064  -0.00021  -0.00084   2.18367
   A48        1.94463   0.00001  -0.00048  -0.00013  -0.00061   1.94402
   A49        1.11192  -0.00001  -0.00075  -0.00020  -0.00095   1.11097
   A50        1.47196   0.00000  -0.00064  -0.00019  -0.00083   1.47113
   A51        1.57640   0.00000  -0.00092  -0.00031  -0.00123   1.57518
   A52        1.81188   0.00000  -0.00093  -0.00033  -0.00126   1.81061
   A53        1.79426   0.00000  -0.00034  -0.00012  -0.00045   1.79381
   A54        1.61989  -0.00001   0.00179   0.00033   0.00211   1.62200
   A55        1.58950  -0.00001   0.00140   0.00023   0.00162   1.59112
   A56        1.20960  -0.00001   0.00119   0.00028   0.00146   1.21106
   A57        1.18861   0.00002   0.00048   0.00005   0.00052   1.18913
   A58        1.91784  -0.00002   0.00060   0.00014   0.00075   1.91859
   A59        1.97753  -0.00004  -0.00003  -0.00057  -0.00060   1.97693
   A60        0.84635   0.00001   0.00074   0.00019   0.00093   0.84727
   A61        0.79283   0.00002   0.00061   0.00011   0.00072   0.79355
   A62        2.60561   0.00002   0.00132   0.00042   0.00174   2.60735
   A63        2.76005   0.00002   0.00100   0.00028   0.00128   2.76132
   A64        2.59950  -0.00001  -0.00079  -0.00028  -0.00108   2.59842
   A65        2.38279   0.00002   0.00057   0.00015   0.00072   2.38351
   A66        2.18234   0.00001   0.00032   0.00010   0.00041   2.18275
   A67        0.86874   0.00000   0.00048   0.00021   0.00069   0.86943
   A68        1.24426   0.00001   0.00075   0.00026   0.00100   1.24526
   A69        1.42881   0.00001   0.00084   0.00024   0.00108   1.42988
   A70        1.70018   0.00002   0.00092   0.00024   0.00115   1.70134
   A71        1.52787   0.00000   0.00066   0.00023   0.00089   1.52876
   A72        1.63072  -0.00002  -0.00005  -0.00017  -0.00023   1.63049
   A73        1.49436  -0.00002  -0.00004  -0.00019  -0.00024   1.49413
   A74        1.07575  -0.00002   0.00005  -0.00010  -0.00006   1.07569
   A75        0.97914   0.00001  -0.00019  -0.00015  -0.00033   0.97881
   A76        1.75080  -0.00003  -0.00057  -0.00017  -0.00073   1.75007
   A77        1.75102  -0.00004  -0.00069  -0.00076  -0.00145   1.74957
   A78        1.98897   0.00000  -0.00030  -0.00003  -0.00033   1.98864
   A79        1.92543   0.00000  -0.00010  -0.00001  -0.00011   1.92532
   A80        2.20063   0.00000   0.00007   0.00000   0.00007   2.20070
   A81        2.05588   0.00000   0.00067   0.00010   0.00077   2.05665
   A82        1.53652   0.00000  -0.00014  -0.00003  -0.00017   1.53635
   A83        1.36248   0.00001   0.00012   0.00008   0.00020   1.36268
   A84        1.18713   0.00000  -0.00001   0.00015   0.00014   1.18727
   A85        1.37342   0.00000  -0.00008   0.00013   0.00005   1.37347
   A86        1.20942   0.00000  -0.00030   0.00006  -0.00024   1.20918
   A87        1.31786   0.00000  -0.00036   0.00001  -0.00034   1.31752
   A88        1.79971   0.00000  -0.00017   0.00008  -0.00008   1.79962
   A89        2.22759  -0.00001   0.00110  -0.00007   0.00103   2.22862
   A90        2.28541  -0.00001   0.00085  -0.00001   0.00083   2.28624
   A91        1.90279   0.00000   0.00083   0.00011   0.00093   1.90373
   A92        1.82128   0.00002   0.00054   0.00003   0.00057   1.82185
   A93        2.59710  -0.00002   0.00018   0.00002   0.00020   2.59731
   A94        2.54147  -0.00003  -0.00015  -0.00056  -0.00071   2.54076
   A95        1.90132   0.00000   0.00021   0.00014   0.00035   1.90167
   A96        1.97041   0.00000   0.00056   0.00023   0.00079   1.97120
   A97        2.34327   0.00000   0.00068   0.00024   0.00092   2.34418
   A98        2.29400   0.00000   0.00131   0.00034   0.00164   2.29564
   A99        1.63848   0.00001   0.00062   0.00024   0.00085   1.63933
   A100       1.53624   0.00001   0.00093   0.00038   0.00131   1.53755
   A101       0.88513   0.00000  -0.00036   0.00000  -0.00036   0.88477
   A102       1.05549   0.00000  -0.00033   0.00003  -0.00029   1.05519
   A103       0.92748   0.00000  -0.00032   0.00002  -0.00030   0.92718
   A104       1.08950   0.00000  -0.00020   0.00003  -0.00017   1.08932
   A105       1.48163   0.00000  -0.00041  -0.00002  -0.00043   1.48120
   A106       2.38507   0.00000   0.00085  -0.00006   0.00079   2.38586
   A107       2.28256   0.00000   0.00049  -0.00009   0.00040   2.28296
   A108       1.85608   0.00000   0.00059  -0.00002   0.00057   1.85665
   A109       1.68495   0.00001   0.00030  -0.00008   0.00021   1.68516
   A110       2.44113  -0.00001  -0.00039  -0.00008  -0.00046   2.44066
   A111       2.28262  -0.00003  -0.00052  -0.00061  -0.00113   2.28149
   A112       0.71289   0.00000   0.00000  -0.00001  -0.00001   0.71288
   A113       1.00471   0.00000   0.00006  -0.00001   0.00006   1.00477
   A114       0.69383   0.00000   0.00013   0.00004   0.00017   0.69400
   A115       0.98064   0.00000   0.00019   0.00008   0.00027   0.98092
   A116       1.79266   0.00001   0.00080   0.00024   0.00104   1.79370
   A117       1.41371   0.00001   0.00056   0.00019   0.00075   1.41446
   A118       1.17874   0.00000   0.00050   0.00019   0.00069   1.17943
   A119       0.90565   0.00000   0.00039   0.00017   0.00057   0.90623
   A120       1.24296   0.00001   0.00039   0.00015   0.00054   1.24350
   A121       1.99607   0.00000  -0.00106  -0.00009  -0.00116   1.99491
   A122       2.00607   0.00001  -0.00047   0.00008  -0.00039   2.00568
   A123       2.33263   0.00000   0.00005   0.00006   0.00013   2.33275
   A124       2.23438  -0.00002   0.00087   0.00032   0.00119   2.23557
   A125       1.63542   0.00002   0.00022   0.00016   0.00038   1.63580
   A126       1.49401   0.00004   0.00082   0.00075   0.00156   1.49557
   A127       0.65694  -0.00001   0.00011  -0.00001   0.00011   0.65704
   A128       0.66170   0.00000   0.00009   0.00001   0.00010   0.66181
   A129       2.14860   0.00001   0.00098   0.00031   0.00129   2.14988
   A130       1.77974   0.00001   0.00071   0.00025   0.00097   1.78071
   A131       1.48185   0.00001   0.00071   0.00028   0.00099   1.48284
   A132       1.18988   0.00000   0.00062   0.00028   0.00090   1.19078
   A133       1.63529   0.00001   0.00043   0.00017   0.00061   1.63590
   A134       1.85861   0.00000  -0.00131  -0.00029  -0.00160   1.85701
   A135       2.02826   0.00000  -0.00103  -0.00012  -0.00114   2.02712
   A136       2.44684   0.00000  -0.00097  -0.00016  -0.00111   2.44573
   A137       2.50259  -0.00002   0.00010   0.00014   0.00025   2.50283
   A138       1.75836   0.00002  -0.00006   0.00002  -0.00004   1.75832
   A139       1.71338   0.00004   0.00056   0.00075   0.00131   1.71469
   A140       0.70491  -0.00001   0.00005   0.00000   0.00005   0.70496
   A141       0.83842  -0.00001  -0.00007  -0.00009  -0.00016   0.83826
   A142       2.49099   0.00001   0.00066   0.00018   0.00084   2.49183
   A143       2.11163   0.00001   0.00044   0.00014   0.00058   2.11220
   A144       1.88396   0.00000   0.00056   0.00021   0.00077   1.88473
   A145       1.59854   0.00000   0.00049   0.00021   0.00071   1.59925
   A146       1.84069   0.00000   0.00018   0.00006   0.00024   1.84093
   A147       1.43321   0.00000  -0.00127  -0.00028  -0.00156   1.43165
   A148       1.64783   0.00000  -0.00118  -0.00018  -0.00136   1.64647
   A149       2.07624   0.00000  -0.00135  -0.00024  -0.00158   2.07466
   A150       2.24721  -0.00002  -0.00084  -0.00011  -0.00094   2.24627
   A151       1.46911   0.00002  -0.00027  -0.00008  -0.00036   1.46875
   A152       1.52671   0.00003   0.00018   0.00064   0.00081   1.52753
   A153       0.76598  -0.00001   0.00039   0.00004   0.00044   0.76642
   A154       0.77399  -0.00002   0.00028  -0.00007   0.00021   0.77420
   A155       2.79736   0.00001   0.00085   0.00023   0.00108   2.79844
   A156       2.41760   0.00000   0.00056   0.00017   0.00073   2.41832
   A157       2.13628   0.00000   0.00090   0.00029   0.00119   2.13747
   A158       1.84324   0.00000   0.00081   0.00029   0.00111   1.84435
   A159       2.15371   0.00000  -0.00002   0.00001  -0.00001   2.15370
   A160       1.29859   0.00000  -0.00167  -0.00045  -0.00212   1.29647
   A161       1.60215   0.00000  -0.00182  -0.00037  -0.00218   1.59997
   A162       2.00495   0.00001  -0.00212  -0.00040  -0.00251   2.00244
   A163       2.26102   0.00000  -0.00191  -0.00037  -0.00227   2.25875
   A164       1.54695   0.00002  -0.00094  -0.00028  -0.00121   1.54574
   A165       1.68419   0.00003  -0.00057   0.00042  -0.00015   1.68404
   A166       2.12578   0.00002   0.00110   0.00039   0.00149   2.12727
   A167       1.83293   0.00001   0.00091   0.00035   0.00127   1.83420
   A168       1.44552   0.00001   0.00085   0.00035   0.00121   1.44672
   A169       1.16845   0.00001   0.00076   0.00036   0.00112   1.16957
   A170       1.85133   0.00001   0.00063   0.00026   0.00088   1.85221
   A171       2.06389  -0.00002  -0.00129  -0.00042  -0.00170   2.06219
   A172       2.34628  -0.00001  -0.00123  -0.00023  -0.00146   2.34483
   A173       2.76783  -0.00001  -0.00160  -0.00032  -0.00191   2.76592
   A174       2.14934   0.00001  -0.00005   0.00000  -0.00005   2.14929
   A175       2.12027   0.00004   0.00069   0.00078   0.00146   2.12172
   A176       2.22150   0.00002   0.00129   0.00055   0.00184   2.22334
   A177       2.00880   0.00002   0.00120   0.00054   0.00173   2.01053
   A178       1.59807   0.00002   0.00112   0.00053   0.00166   1.59972
   A179       1.35137   0.00001   0.00102   0.00052   0.00155   1.35292
   A180       2.10940   0.00001   0.00084   0.00039   0.00123   2.11063
   A181       1.99536  -0.00003  -0.00143  -0.00066  -0.00209   1.99328
   A182       2.35565  -0.00002  -0.00167  -0.00053  -0.00220   2.35345
   A183       2.68040  -0.00001  -0.00216  -0.00058  -0.00273   2.67768
   A184       2.30099   0.00001  -0.00046  -0.00024  -0.00070   2.30029
   A185       2.34982   0.00003   0.00037   0.00065   0.00102   2.35084
   A186       0.68989   0.00001   0.00028   0.00004   0.00032   0.69020
   A187       0.98014   0.00001   0.00038   0.00004   0.00041   0.98055
   A188       0.69821   0.00000   0.00020   0.00002   0.00021   0.69843
   A189       2.06450   0.00000   0.00014   0.00009   0.00024   2.06474
   A190       1.70127   0.00000   0.00044   0.00001   0.00045   1.70172
   A191       1.35713  -0.00001   0.00080   0.00001   0.00080   1.35793
   A192       1.05708  -0.00001   0.00078   0.00005   0.00082   1.05789
   A193       1.62163  -0.00002  -0.00013  -0.00001  -0.00014   1.62149
   A194       1.40607  -0.00003  -0.00013  -0.00054  -0.00067   1.40541
   A195       0.66604   0.00001   0.00016   0.00000   0.00015   0.66619
   A196       2.23016   0.00001  -0.00001   0.00014   0.00015   2.23031
   A197       1.83630   0.00000   0.00046   0.00008   0.00053   1.83682
   A198       1.59398  -0.00001   0.00096   0.00005   0.00099   1.59497
   A199       1.27976  -0.00002   0.00104   0.00014   0.00117   1.28093
   A200       1.61367  -0.00001  -0.00001   0.00005   0.00003   1.61370
   A201       1.34126  -0.00001   0.00011  -0.00029  -0.00018   1.34108
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   A203       2.62679   0.00001  -0.00007   0.00016   0.00011   2.62690
   A204       2.23625   0.00001   0.00049   0.00010   0.00059   2.23684
   A205       2.00418  -0.00001   0.00104   0.00005   0.00108   2.00526
   A206       1.69017  -0.00001   0.00110   0.00014   0.00123   1.69140
   A207       1.95363   0.00000   0.00012   0.00010   0.00022   1.95385
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   A210       2.69992   0.00001  -0.00047   0.00014  -0.00032   2.69960
   A211       2.37439   0.00001   0.00035   0.00013   0.00048   2.37487
   A212       2.24788   0.00000   0.00108   0.00005   0.00112   2.24900
   A213       1.93659  -0.00001   0.00121   0.00016   0.00135   1.93794
   A214       2.00933   0.00001   0.00021   0.00013   0.00033   2.00967
   A215       1.72439   0.00001   0.00055   0.00015   0.00070   1.72509
   A216       1.92598   0.00001  -0.00007   0.00022   0.00015   1.92613
   A217       1.55117   0.00001   0.00050   0.00017   0.00067   1.55184
   A218       1.45115  -0.00001   0.00099   0.00011   0.00110   1.45224
   A219       1.16553  -0.00002   0.00119   0.00025   0.00143   1.16697
   A220       1.24426   0.00000   0.00020   0.00015   0.00034   1.24460
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   A222       0.71338   0.00001  -0.00055   0.00007  -0.00048   0.71290
   A223       1.00743   0.00001  -0.00062   0.00005  -0.00058   1.00685
   A224       0.69891   0.00001  -0.00048   0.00003  -0.00045   0.69846
   A225       0.98834   0.00001  -0.00076   0.00009  -0.00067   0.98767
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   A237       2.12232  -0.00002   0.00009  -0.00007   0.00002   2.12235
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   A269       1.91111   0.00002   0.00009  -0.00006   0.00003   1.91114
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   A275       1.89403   0.00001   0.00013  -0.00005   0.00007   1.89410
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   A282       1.96307  -0.00002  -0.00015  -0.00005  -0.00020   1.96287
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   A287       1.66328   0.00001  -0.00014   0.00000  -0.00013   1.66315
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   A293       1.90666   0.00000  -0.00003   0.00001  -0.00002   1.90664
   A294       1.35517  -0.00003   0.00349   0.00087   0.00435   1.35952
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   A297       1.90717  -0.00002   0.00013   0.00003   0.00017   1.90735
   A298       1.90187   0.00001   0.00017   0.00002   0.00021   1.90208
   A299       1.90943   0.00002   0.00003   0.00005   0.00008   1.90950
   A300       1.89804  -0.00001  -0.00039  -0.00003  -0.00042   1.89762
   A301       1.91479  -0.00001   0.00019  -0.00002   0.00016   1.91495
   A302       1.73787  -0.00006  -0.00280  -0.00013  -0.00292   1.73494
   A303       1.75830   0.00001   0.00525  -0.00015   0.00510   1.76340
   A304       2.19279  -0.00003   0.00018  -0.00013   0.00003   2.19283
   A305       2.12946   0.00001  -0.00039   0.00017  -0.00020   2.12926
   A306       1.96068   0.00001   0.00022  -0.00003   0.00018   1.96086
   A307       2.12260   0.00004  -0.00007   0.00028   0.00021   2.12280
   A308       2.12092   0.00003   0.00055   0.00000   0.00060   2.12151
   A309       2.03951  -0.00007  -0.00049  -0.00028  -0.00077   2.03874
   A310       1.38965   0.00003   0.00088   0.00100   0.00189   1.39154
   A311       2.96678  -0.00003  -0.00035  -0.00127  -0.00162   2.96516
   A312       1.90752  -0.00002   0.00033   0.00009   0.00043   1.90794
   A313       1.92804   0.00000  -0.00042   0.00008  -0.00035   1.92770
   A314       1.90567  -0.00002   0.00019  -0.00004   0.00015   1.90582
   A315       1.91373   0.00000  -0.00062   0.00018  -0.00044   1.91328
   A316       1.91063   0.00007   0.00048   0.00004   0.00051   1.91115
   A317       1.89814  -0.00003   0.00004  -0.00035  -0.00030   1.89784
   A318       1.70512   0.00003   0.00163  -0.00197  -0.00033   1.70479
   A319       1.91233  -0.00002   0.00042   0.00009   0.00052   1.91285
   A320       1.91746  -0.00001  -0.00078  -0.00008  -0.00086   1.91660
   A321       1.92443   0.00001   0.00034  -0.00008   0.00025   1.92468
   A322       1.90318   0.00007   0.00071  -0.00004   0.00067   1.90385
   A323       1.91177  -0.00003  -0.00024  -0.00001  -0.00025   1.91152
   A324       1.89444  -0.00002  -0.00045   0.00013  -0.00032   1.89412
   A325       2.92413   0.00000  -0.00050  -0.00020  -0.00070   2.92343
   A326       3.36010   0.00002  -0.00096  -0.00035  -0.00130   3.35880
   A327       3.07791   0.00002  -0.00098  -0.00036  -0.00134   3.07657
   A328       3.26767  -0.00003  -0.00364  -0.00161  -0.00525   3.26242
   A329       3.25828  -0.00001   0.00174   0.00030   0.00204   3.26032
   A330       3.26459  -0.00001   0.00351   0.00091   0.00443   3.26902
   A331       3.61690   0.00000   0.00139  -0.00198  -0.00059   3.61631
   A332       3.21556   0.00002   0.00149   0.00040   0.00189   3.21745
   A333       3.06219  -0.00001  -0.00170  -0.00040  -0.00209   3.06010
   A334       3.00657  -0.00002  -0.00203  -0.00057  -0.00259   3.00397
   A335       3.23742   0.00000   0.00014   0.00000   0.00014   3.23756
   A336       3.07484   0.00000  -0.00013   0.00007  -0.00006   3.07478
   A337       3.10163   0.00000  -0.00095  -0.00013  -0.00108   3.10054
   A338       3.03467  -0.00001  -0.00090   0.00073  -0.00017   3.03451
    D1        2.75470  -0.00001   0.00051   0.00020   0.00071   2.75540
    D2       -1.35665  -0.00001   0.00001  -0.00001   0.00000  -1.35665
    D3        2.76268   0.00001   0.00324   0.00113   0.00437   2.76706
    D4       -1.34866   0.00001   0.00275   0.00092   0.00367  -1.34499
    D5        1.64566  -0.00001   0.00119   0.00041   0.00160   1.64726
    D6       -2.46569  -0.00001   0.00069   0.00021   0.00090  -2.46479
    D7        1.80684  -0.00001   0.00229   0.00088   0.00317   1.81000
    D8       -2.30451  -0.00001   0.00179   0.00067   0.00246  -2.30205
    D9        0.28728   0.00000   0.00207   0.00084   0.00291   0.29019
   D10        2.45911  -0.00001   0.00158   0.00063   0.00221   2.46132
   D11        0.01197   0.00000   0.00180   0.00076   0.00256   0.01453
   D12        2.18381   0.00000   0.00131   0.00055   0.00185   2.18567
   D13       -0.45287   0.00000   0.00175   0.00073   0.00248  -0.45039
   D14        1.71896   0.00000   0.00125   0.00052   0.00178   1.72074
   D15       -0.57581   0.00001   0.00138   0.00072   0.00210  -0.57371
   D16        1.59603   0.00000   0.00088   0.00051   0.00139   1.59742
   D17        0.19169  -0.00001   0.00180   0.00078   0.00257   0.19426
   D18        2.36353  -0.00001   0.00130   0.00057   0.00187   2.36540
   D19        0.13607  -0.00001   0.00147   0.00060   0.00208   0.13814
   D20        2.30790  -0.00001   0.00097   0.00040   0.00137   2.30927
   D21        2.33934   0.00002   0.00291   0.00122   0.00412   2.34346
   D22       -1.77201   0.00002   0.00241   0.00101   0.00342  -1.76859
   D23        2.08781   0.00002   0.00299   0.00133   0.00432   2.09213
   D24       -2.02354   0.00002   0.00249   0.00112   0.00362  -2.01992
   D25        1.65005   0.00001   0.00285   0.00127   0.00412   1.65416
   D26       -2.46130   0.00001   0.00235   0.00106   0.00341  -2.45789
   D27        1.34341   0.00001   0.00280   0.00128   0.00409   1.34750
   D28       -2.76794   0.00001   0.00230   0.00107   0.00338  -2.76455
   D29        2.28130   0.00003   0.00309   0.00150   0.00459   2.28590
   D30       -1.83005   0.00003   0.00260   0.00129   0.00389  -1.82616
   D31       -1.87267   0.00001   0.00305   0.00122   0.00427  -1.86840
   D32        0.29917   0.00001   0.00255   0.00101   0.00357   0.30273
   D33       -2.19876   0.00001   0.00311   0.00108   0.00418  -2.19458
   D34       -0.02693   0.00001   0.00261   0.00087   0.00348  -0.02345
   D35       -2.58537   0.00000   0.00357   0.00114   0.00470  -2.58067
   D36       -0.41354   0.00000   0.00307   0.00094   0.00400  -0.40954
   D37       -2.87050   0.00001   0.00350   0.00118   0.00467  -2.86583
   D38       -0.69866   0.00001   0.00300   0.00097   0.00396  -0.69470
   D39       -2.18246  -0.00001   0.00203   0.00089   0.00292  -2.17954
   D40       -0.01062  -0.00002   0.00153   0.00068   0.00222  -0.00840
   D41       -2.42826  -0.00003   0.00184   0.00007   0.00192  -2.42634
   D42       -0.25642  -0.00003   0.00134  -0.00014   0.00121  -0.25521
   D43        1.29122  -0.00002  -0.00408  -0.00132  -0.00540   1.28582
   D44       -1.97249  -0.00001   0.00174  -0.00019   0.00156  -1.97094
   D45        2.46333   0.00000  -0.00269  -0.00080  -0.00349   2.45983
   D46       -0.80039   0.00000   0.00313   0.00033   0.00346  -0.79693
   D47        2.93203   0.00000  -0.00175  -0.00041  -0.00217   2.92986
   D48       -0.33169   0.00000   0.00407   0.00072   0.00479  -0.32690
   D49        2.83805   0.00000  -0.00307  -0.00075  -0.00382   2.83424
   D50       -0.42566   0.00000   0.00276   0.00038   0.00314  -0.42253
   D51        2.03451  -0.00001  -0.00228  -0.00050  -0.00278   2.03173
   D52       -1.22921  -0.00001   0.00354   0.00063   0.00418  -1.22503
   D53        1.16357  -0.00001  -0.00166  -0.00027  -0.00193   1.16164
   D54       -2.10014  -0.00001   0.00417   0.00086   0.00503  -2.09512
   D55        1.02933   0.00000  -0.00293  -0.00061  -0.00354   1.02578
   D56       -2.23439   0.00000   0.00289   0.00052   0.00341  -2.23098
   D57        2.02249  -0.00001  -0.00274  -0.00066  -0.00340   2.01909
   D58       -1.24122  -0.00001   0.00309   0.00046   0.00355  -1.23767
   D59        1.84155  -0.00002  -0.00312  -0.00087  -0.00400   1.83755
   D60       -1.42217  -0.00001   0.00270   0.00025   0.00296  -1.41921
   D61       -2.30993   0.00001  -0.00162  -0.00024  -0.00186  -2.31180
   D62        0.70953   0.00001   0.00420   0.00089   0.00509   0.71463
   D63       -2.43857   0.00000  -0.00211  -0.00038  -0.00250  -2.44107
   D64        0.58090   0.00001   0.00371   0.00075   0.00446   0.58536
   D65       -2.83935   0.00000  -0.00228  -0.00043  -0.00271  -2.84206
   D66        0.18012   0.00001   0.00354   0.00070   0.00424   0.18437
   D67       -3.01568   0.00000  -0.00244  -0.00045  -0.00288  -3.01856
   D68        0.00379   0.00000   0.00339   0.00068   0.00407   0.00786
   D69       -2.15773   0.00000  -0.00261  -0.00056  -0.00317  -2.16090
   D70        0.86174   0.00001   0.00321   0.00057   0.00379   0.86552
   D71       -0.20983   0.00001  -0.00226  -0.00026  -0.00252  -0.21236
   D72        2.80963   0.00002   0.00357   0.00087   0.00443   2.81407
   D73       -0.60281   0.00001  -0.00179  -0.00033  -0.00212  -0.60493
   D74        2.41665   0.00001   0.00403   0.00080   0.00483   2.42149
   D75       -0.80537   0.00000  -0.00100  -0.00029  -0.00129  -0.80666
   D76        2.21410   0.00000   0.00483   0.00084   0.00566   2.21976
   D77       -1.14212  -0.00001  -0.00075  -0.00016  -0.00091  -1.14303
   D78        1.87735  -0.00001   0.00508   0.00097   0.00604   1.88339
   D79       -0.85784   0.00000  -0.00243  -0.00042  -0.00284  -0.86068
   D80        2.16163   0.00000   0.00340   0.00071   0.00411   2.16575
   D81       -1.16374   0.00000  -0.00230  -0.00066  -0.00296  -1.16670
   D82        1.85573   0.00000   0.00353   0.00046   0.00400   1.85972
   D83       -1.50467  -0.00002  -0.00122  -0.00055  -0.00177  -1.50644
   D84       -2.59355   0.00000  -0.00032  -0.00014  -0.00045  -2.59400
   D85       -2.93822   0.00002   0.00154   0.00050   0.00205  -2.93617
   D86        0.73283   0.00000  -0.00024  -0.00003  -0.00027   0.73256
   D87        0.31412   0.00000  -0.00030  -0.00005  -0.00035   0.31378
   D88       -0.06193   0.00000  -0.00006   0.00000  -0.00005  -0.06198
   D89       -0.39435   0.00000  -0.00036  -0.00003  -0.00039  -0.39474
   D90        0.19150  -0.00001  -0.00052  -0.00009  -0.00060   0.19090
   D91       -0.03940  -0.00001  -0.00082  -0.00023  -0.00105  -0.04046
   D92        2.38400   0.00001   0.00079   0.00032   0.00112   2.38512
   D93        2.03703   0.00001   0.00045   0.00027   0.00073   2.03775
   D94        1.64130   0.00001   0.00044   0.00031   0.00075   1.64205
   D95        1.35534   0.00000   0.00028   0.00029   0.00058   1.35591
   D96        2.04241   0.00000   0.00008   0.00017   0.00026   2.04267
   D97       -1.98777   0.00002   0.00082   0.00055   0.00135  -1.98641
   D98       -2.49361   0.00001   0.00096   0.00048   0.00144  -2.49217
   D99       -2.71931   0.00000   0.00128   0.00034   0.00162  -2.71770
   D100      -3.03637  -0.00001   0.00138   0.00046   0.00183  -3.03454
   D101      -2.92377   0.00001   0.00016   0.00059   0.00075  -2.92302
   D102       2.82808   0.00003   0.00080   0.00082   0.00162   2.82970
   D103      -2.88455   0.00001  -0.00033  -0.00007  -0.00040  -2.88495
   D104       1.20956   0.00001  -0.00031  -0.00001  -0.00032   1.20924
   D105       2.84262   0.00000  -0.00068  -0.00022  -0.00090   2.84171
   D106       0.65354   0.00000  -0.00066  -0.00016  -0.00082   0.65272
   D107       2.35158   0.00000   0.00010   0.00000   0.00010   2.35168
   D108       0.16250   0.00000   0.00012   0.00006   0.00018   0.16268
   D109       1.77805  -0.00001  -0.00016   0.00001  -0.00015   1.77789
   D110      -0.41103  -0.00001  -0.00014   0.00007  -0.00007  -0.41110
   D111       2.61203   0.00000  -0.00034  -0.00004  -0.00038   2.61165
   D112       0.42296   0.00000  -0.00032   0.00002  -0.00030   0.42265
   D113       2.28281   0.00000  -0.00079  -0.00023  -0.00102   2.28179
   D114       0.09373   0.00000  -0.00077  -0.00016  -0.00094   0.09279
   D115      -1.60935   0.00000   0.00009  -0.00001   0.00008  -1.60927
   D116       2.48476   0.00000   0.00011   0.00005   0.00016   2.48492
   D117      -1.77233   0.00000   0.00064   0.00010   0.00074  -1.77160
   D118       2.32177   0.00000   0.00066   0.00016   0.00082   2.32259
   D119      -2.73499   0.00001   0.00008   0.00002   0.00010  -2.73489
   D120       1.35912   0.00001   0.00010   0.00008   0.00018   1.35930
   D121      -2.70689   0.00002   0.00037   0.00021   0.00058  -2.70631
   D122       1.38722   0.00002   0.00039   0.00027   0.00066   1.38788
   D123       1.36662  -0.00001  -0.00062  -0.00029  -0.00092   1.36570
   D124      -0.82246  -0.00001  -0.00060  -0.00023  -0.00083  -0.82329
   D125       1.33301   0.00000  -0.00063  -0.00030  -0.00093   1.33208
   D126      -0.85607   0.00000  -0.00061  -0.00024  -0.00084  -0.85691
   D127       1.68774   0.00000  -0.00062  -0.00031  -0.00093   1.68680
   D128      -0.50134   0.00000  -0.00060  -0.00025  -0.00085  -0.50219
   D129       1.81188   0.00000  -0.00067  -0.00036  -0.00104   1.81085
   D130      -0.37719   0.00000  -0.00065  -0.00030  -0.00095  -0.37815
   D131       0.92986   0.00000  -0.00040  -0.00021  -0.00061   0.92925
   D132      -1.25921   0.00000  -0.00038  -0.00015  -0.00053  -1.25974
   D133      -0.89279  -0.00002  -0.00073  -0.00053  -0.00126  -0.89404
   D134      -3.08187  -0.00002  -0.00071  -0.00047  -0.00117  -3.08304
   D135      -0.45891  -0.00001  -0.00140  -0.00046  -0.00186  -0.46077
   D136      -2.64799  -0.00001  -0.00138  -0.00040  -0.00178  -2.64977
   D137      -0.11884   0.00000  -0.00250  -0.00053  -0.00302  -0.12187
   D138      -2.30792   0.00000  -0.00248  -0.00047  -0.00294  -2.31086
   D139       0.27732   0.00000  -0.00210  -0.00048  -0.00257   0.27474
   D140      -1.91176   0.00000  -0.00208  -0.00042  -0.00249  -1.91425
   D141      -0.27103   0.00000  -0.00061  -0.00033  -0.00094  -0.27197
   D142      -2.46010   0.00000  -0.00059  -0.00027  -0.00086  -2.46096
   D143      -0.01714   0.00001  -0.00059   0.00011  -0.00049  -0.01763
   D144      -2.20622   0.00001  -0.00057   0.00017  -0.00040  -2.20662
   D145      -2.48354   0.00001  -0.00075   0.00014  -0.00061  -2.48414
   D146      -2.72516   0.00001  -0.00117  -0.00005  -0.00122  -2.72638
   D147      -2.39610   0.00001  -0.00245  -0.00059  -0.00304  -2.39914
   D148       3.01363   0.00000  -0.00147  -0.00011  -0.00158   3.01205
   D149       2.63918   0.00000  -0.00159  -0.00016  -0.00175   2.63742
   D150       1.51760   0.00000  -0.00086  -0.00005  -0.00091   1.51668
   D151       2.61656   0.00001  -0.00069   0.00003  -0.00065   2.61591
   D152       2.98399   0.00001  -0.00046   0.00019  -0.00027   2.98373
   D153       1.24883  -0.00001  -0.00222  -0.00057  -0.00279   1.24603
   D154       1.28755  -0.00001  -0.00177  -0.00042  -0.00219   1.28536
   D155       1.66860   0.00000  -0.00149  -0.00032  -0.00181   1.66679
   D156       1.73660   0.00000  -0.00138  -0.00029  -0.00167   1.73492
   D157       0.92734   0.00000  -0.00146  -0.00029  -0.00175   0.92558
   D158      -0.97549  -0.00002  -0.00107  -0.00044  -0.00152  -0.97700
   D159      -0.64439  -0.00001  -0.00167  -0.00043  -0.00209  -0.64648
   D160      -0.65500   0.00000  -0.00234  -0.00039  -0.00273  -0.65773
   D161      -0.33615   0.00002  -0.00308  -0.00066  -0.00374  -0.33989
   D162      -0.27222  -0.00001  -0.00154  -0.00041  -0.00195  -0.27417
   D163       0.01323  -0.00001  -0.00191  -0.00045  -0.00237   0.01087
   D164      -1.26915   0.00001  -0.00049  -0.00011  -0.00059  -1.26974
   D165       1.68411   0.00001  -0.00054  -0.00027  -0.00081   1.68330
   D166      -1.63615   0.00000  -0.00068  -0.00017  -0.00085  -1.63701
   D167       1.31711   0.00000  -0.00074  -0.00033  -0.00107   1.31604
   D168      -1.70885   0.00001  -0.00086  -0.00029  -0.00115  -1.71000
   D169       1.24441   0.00001  -0.00091  -0.00045  -0.00136   1.24305
   D170      -1.97400   0.00003   0.00154   0.00051   0.00205  -1.97194
   D171       0.97926   0.00002   0.00148   0.00035   0.00184   0.98110
   D172      -1.98692   0.00000  -0.00072  -0.00014  -0.00086  -1.98777
   D173       0.96634   0.00000  -0.00078  -0.00030  -0.00107   0.96527
   D174      -2.28872   0.00000  -0.00075  -0.00017  -0.00092  -2.28964
   D175       0.66454   0.00000  -0.00081  -0.00033  -0.00113   0.66341
   D176       1.98231   0.00001  -0.00023  -0.00007  -0.00031   1.98200
   D177      -1.34762   0.00001  -0.00029  -0.00023  -0.00052  -1.34814
   D178       0.83664   0.00000  -0.00009  -0.00002  -0.00011   0.83653
   D179      -2.49328   0.00000  -0.00015  -0.00018  -0.00033  -2.49361
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   D181      -2.95846   0.00000   0.00022  -0.00012   0.00010  -2.95835
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   D213       0.01159   0.00001   0.00069   0.00006   0.00075   0.01234
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   D232      -0.02078   0.00001  -0.00068   0.00011  -0.00057  -0.02135
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   D239      -2.24152  -0.00003   0.00080   0.00029   0.00108  -2.24043
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   D247      -0.19925  -0.00001  -0.00022  -0.00014  -0.00036  -0.19961
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   D249      -0.59645  -0.00001   0.00057   0.00018   0.00075  -0.59570
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   D275      -2.19543   0.00001  -0.00050   0.00013  -0.00037  -2.19580
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   D277      -1.77008   0.00000  -0.00010   0.00003  -0.00006  -1.77015
   D278       1.58218  -0.00002  -0.00052   0.00042  -0.00010   1.58208
   D279      -1.78289  -0.00002   0.00026   0.00018   0.00044  -1.78246
   D280       0.81997   0.00002  -0.00049   0.00039  -0.00011   0.81987
   D281      -2.54510   0.00002   0.00029   0.00014   0.00043  -2.54467
   D282       0.78860   0.00004  -0.00010   0.00104   0.00093   0.78953
   D283      -2.57648   0.00004   0.00068   0.00079   0.00147  -2.57501
   D284       1.61423  -0.00003  -0.00192  -0.00080  -0.00272   1.61151
   D285      -2.60176  -0.00003  -0.00288  -0.00111  -0.00399  -2.60574
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   D287      -2.57045  -0.00001  -0.00205  -0.00064  -0.00268  -2.57313
   D288       1.31214  -0.00001  -0.00010   0.00011   0.00001   1.31215
   D289      -2.90385   0.00000  -0.00106  -0.00020  -0.00126  -2.90511
   D290       1.22174  -0.00001  -0.00173  -0.00036  -0.00209   1.21965
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   D399      -0.54879   0.00000   0.00243   0.00002   0.00244  -0.54635
   D400       2.47645   0.00000   0.00122   0.00013   0.00134   2.47779
   D401      -0.28460   0.00000   0.00204   0.00002   0.00205  -0.28255
   D402      -1.49610   0.00002   0.00010   0.00028   0.00038  -1.49571
   D403       2.02604   0.00002   0.00093   0.00016   0.00110   2.02714
   D404      -2.59964   0.00000   0.00019   0.00019   0.00038  -2.59927
   D405       0.92250   0.00001   0.00102   0.00007   0.00109   0.92359
   D406      -2.96975  -0.00002   0.00038  -0.00048  -0.00011  -2.96986
   D407       0.55239  -0.00002   0.00120  -0.00060   0.00060   0.55299
   D408       1.84640   0.00002   0.00231   0.00146   0.00377   1.85017
   D409       2.34758   0.00002   0.00212   0.00123   0.00335   2.35093
   D410       2.56679   0.00001   0.00218   0.00133   0.00351   2.57030
   D411       2.80134  -0.00001   0.00073   0.00087   0.00160   2.80294
   D412       2.79035   0.00000   0.00178   0.00080   0.00258   2.79293
   D413      -3.01031   0.00000   0.00170   0.00092   0.00263  -3.00768
   D414      -0.81918   0.00001   0.00206   0.00134   0.00340  -0.81578
   D415      -0.44316   0.00001   0.00222   0.00142   0.00363  -0.43953
   D416      -0.12503   0.00001   0.00195   0.00128   0.00322  -0.12181
   D417       0.18219   0.00000   0.00202   0.00130   0.00332   0.18551
   D418      -0.31983   0.00002   0.00259   0.00161   0.00420  -0.31563
   D419      -0.01063   0.00003   0.00297   0.00184   0.00481  -0.00583
   D420      -2.61598   0.00000   0.00125   0.00109   0.00234  -2.61364
   D421      -2.23523   0.00000   0.00149   0.00114   0.00264  -2.23259
   D422      -1.99292  -0.00001   0.00144   0.00109   0.00252  -1.99040
   D423      -1.67877   0.00000   0.00155   0.00109   0.00264  -1.67613
   D424      -2.01894   0.00001   0.00169   0.00121   0.00290  -2.01604
   D425       1.35277  -0.00002   0.00027   0.00093   0.00121   1.35398
   D426       2.49147   0.00001   0.00004   0.00114   0.00118   2.49265
   D427       2.94569   0.00004   0.00014   0.00099   0.00114   2.94683
   D428      -3.06735   0.00004  -0.00005   0.00008   0.00003  -3.06732
   D429       0.02182   0.00004   0.00079   0.00039   0.00118   0.02300
   D430       0.04437   0.00002  -0.00030   0.00016  -0.00015   0.04423
   D431       3.13354   0.00001   0.00054   0.00047   0.00100   3.13455
   D432      -0.07236  -0.00003  -0.00534  -0.00152  -0.00686  -0.07921
   D433       2.02520  -0.00004  -0.00499  -0.00162  -0.00662   2.01858
   D434      -2.17114  -0.00003  -0.00474  -0.00154  -0.00629  -2.17743
   D435       3.11900  -0.00003  -0.00612  -0.00181  -0.00793   3.11106
   D436      -1.06663  -0.00003  -0.00578  -0.00191  -0.00770  -1.07433
   D437       1.02021  -0.00002  -0.00553  -0.00183  -0.00737   1.01284
   D438      -2.33920  -0.00001  -0.00065  -0.00068  -0.00134  -2.34054
   D439      -0.24694  -0.00004  -0.00090  -0.00065  -0.00155  -0.24849
   D440       1.86104  -0.00001  -0.00080  -0.00074  -0.00154   1.85950
   D441       0.75250  -0.00001   0.00015  -0.00039  -0.00025   0.75225
   D442       2.84476  -0.00005  -0.00011  -0.00036  -0.00046   2.84430
   D443      -1.33044  -0.00001   0.00000  -0.00045  -0.00045  -1.33090
   D444      -0.00688  -0.00002   0.00010  -0.00006   0.00004  -0.00685
   D445       3.11941  -0.00002   0.00028  -0.00013   0.00015   3.11957
   D446      -3.12746  -0.00002   0.00012  -0.00007   0.00005  -3.12741
   D447      -0.00116  -0.00002   0.00030  -0.00014   0.00016  -0.00100
   D448       2.43475   0.00001  -0.00149  -0.00023  -0.00172   2.43303
   D449      -1.76311   0.00001  -0.00145  -0.00027  -0.00172  -1.76484
   D450       0.34450   0.00002  -0.00148  -0.00030  -0.00178   0.34272
   D451      -0.69228   0.00001  -0.00166  -0.00017  -0.00183  -0.69411
   D452       1.39304   0.00001  -0.00163  -0.00020  -0.00183   1.39121
   D453      -2.78253   0.00002  -0.00166  -0.00023  -0.00189  -2.78442
   D454       2.06942  -0.00001  -0.00058  -0.00024  -0.00082   2.06860
   D455      -2.12884   0.00000  -0.00045  -0.00029  -0.00074  -2.12957
   D456      -0.03508  -0.00001  -0.00045  -0.00028  -0.00073  -0.03581
   D457      -1.08674  -0.00001  -0.00040  -0.00031  -0.00071  -1.08745
   D458       0.99819   0.00000  -0.00027  -0.00036  -0.00063   0.99757
   D459       3.09195  -0.00001  -0.00027  -0.00035  -0.00062   3.09132
   D460      -3.07874   0.00000  -0.00039   0.00001  -0.00038  -3.07912
   D461      -0.03222   0.00001   0.00036   0.00010   0.00046  -0.03177
   D462       0.07670   0.00002  -0.00025  -0.00010  -0.00034   0.07636
   D463       3.12322   0.00002   0.00051  -0.00001   0.00049   3.12372
   D464       1.92749   0.00002   0.00095   0.00047   0.00141   1.92890
   D465      -2.27283   0.00001   0.00126   0.00037   0.00163  -2.27120
   D466      -0.17989   0.00002   0.00137   0.00041   0.00177  -0.17811
   D467      -1.12288   0.00001   0.00019   0.00038   0.00057  -1.12231
   D468       0.95999   0.00001   0.00050   0.00029   0.00079   0.96077
   D469       3.05293   0.00001   0.00061   0.00032   0.00093   3.05386
   D470      -1.63477   0.00000  -0.00477  -0.00110  -0.00587  -1.64064
   D471       0.46952   0.00002  -0.00473  -0.00106  -0.00579   0.46373
   D472       2.56158   0.00000  -0.00432  -0.00105  -0.00537   2.55621
   D473       1.41597   0.00001  -0.00402  -0.00102  -0.00505   1.41093
   D474      -2.76293   0.00002  -0.00398  -0.00097  -0.00496  -2.76789
   D475      -0.67086   0.00001  -0.00357  -0.00097  -0.00454  -0.67541
   D476       0.00715   0.00005   0.00572  -0.00047   0.00527   0.01241
   D477      -3.11475   0.00007   0.00318   0.00001   0.00318  -3.11157
   D478       3.12501   0.00000   0.00607  -0.00003   0.00605   3.13106
   D479       0.00312   0.00002   0.00352   0.00044   0.00396   0.00708
   D480      -0.31146   0.00006  -0.00101   0.00170   0.00069  -0.31077
   D481       1.79559   0.00004  -0.00182   0.00202   0.00020   1.79579
   D482      -2.40095   0.00000  -0.00191   0.00162  -0.00028  -2.40123
   D483       2.81130   0.00004   0.00145   0.00125   0.00270   2.81400
   D484      -1.36482   0.00003   0.00064   0.00157   0.00221  -1.36261
   D485       0.72181  -0.00002   0.00055   0.00117   0.00173   0.72354
   D486       0.03557  -0.00006   0.00109   0.00158   0.00267   0.03824
   D487       2.12606   0.00001   0.00174   0.00153   0.00328   2.12934
   D488      -2.06988  -0.00002   0.00091   0.00159   0.00250  -2.06738
   D489      -3.08722  -0.00004  -0.00137   0.00203   0.00067  -3.08655
   D490      -0.99673   0.00003  -0.00072   0.00198   0.00128  -0.99545
   D491       1.09052   0.00000  -0.00155   0.00204   0.00049   1.09101
         Item               Value     Threshold  Converged?
 Maximum Force            0.000074     0.000450     YES
 RMS     Force            0.000016     0.000300     YES
 Maximum Displacement     0.025001     0.001800     NO 
 RMS     Displacement     0.002389     0.001200     NO 
 Predicted change in Energy=-1.372643D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:21:51 2016, MaxMem=  2952790016 cpu:         5.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.863733   -0.603088    1.685516
      2          6           0       -2.123534    1.026456   -1.402517
      3          8           0       -2.616081    0.035962   -1.969280
      4          7           0       -0.846256    1.121481   -0.941396
      5          1           0       -2.717687    1.938505   -1.192324
      6          6           0       -0.382647    2.297522   -0.204084
      7          1           0       -1.178992    3.054316   -0.179489
      8          1           0       -0.117022    2.012941    0.826901
      9          1           0        0.508968    2.721132   -0.694433
     10          6           0        0.115725    0.028935   -1.101102
     11          1           0        0.642821   -0.132858   -0.148004
     12          1           0       -0.417772   -0.887362   -1.385351
     13          1           0        0.858864    0.281445   -1.875439
     14          6           0       -1.981585   -4.031646    2.624576
     15          8           0       -2.140219   -3.885085    3.848490
     16          7           0       -2.900339   -3.731398    1.666745
     17          1           0       -1.034176   -4.414571    2.196329
     18          6           0       -4.219270   -3.192560    2.008085
     19          1           0       -4.481331   -2.405479    1.283343
     20          1           0       -4.986204   -3.983804    1.964766
     21          1           0       -4.188986   -2.766527    3.019431
     22          6           0       -2.614159   -3.912736    0.243399
     23          1           0       -3.313778   -4.642766   -0.195749
     24          1           0       -2.732111   -2.952412   -0.285646
     25          1           0       -1.583158   -4.271293    0.116168
     26          6           0        1.530119    0.371603    2.613254
     27          8           0        1.366163    1.389805    3.306448
     28          7           0        1.146790   -0.888165    2.957129
     29          1           0        2.008062    0.410881    1.614554
     30          6           0        1.451069   -2.040661    2.108708
     31          1           0        2.201373   -2.687008    2.594484
     32          1           0        0.536555   -2.632456    1.944459
     33          1           0        1.836431   -1.693501    1.140347
     34          6           0        0.513974   -1.163649    4.249428
     35          1           0        1.266614   -1.474565    4.994136
     36          1           0        0.003250   -0.259051    4.602990
     37          1           0       -0.215745   -1.976819    4.124260
     38          6           0       -4.568105    1.341466    2.912815
     39          8           0       -4.800394    2.026705    1.902578
     40          7           0       -3.461636    1.438300    3.699646
     41          1           0       -5.261733    0.547401    3.256472
     42          6           0       -2.404204    2.413513    3.421702
     43          1           0       -2.497112    2.764488    2.385975
     44          1           0       -2.479659    3.270813    4.111478
     45          1           0       -1.423559    1.933372    3.560366
     46          6           0       -3.261560    0.558020    4.851286
     47          1           0       -4.092452   -0.158360    4.916449
     48          1           0       -2.315330    0.003272    4.737771
     49          1           0       -3.211481    1.149616    5.780226
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.501266   0.000000
     3  O    3.785756   1.242941   0.000000
     4  N    3.303039   1.361286   2.316717   0.000000
     5  H    3.933306   1.108617   2.057584   2.057364   0.000000
     6  C    3.765334   2.466280   3.635766   1.463432   2.560844
     7  H    4.162177   2.549544   3.791971   2.104060   2.153707
     8  H    3.260648   3.157459   4.239383   2.110298   3.293368
     9  H    4.726976   3.209887   4.312923   2.111044   3.357336
    10  C    3.476053   2.469854   2.866452   1.464436   3.418041
    11  H    3.140975   3.251235   3.737110   2.102425   4.083401
    12  H    3.406148   2.563712   2.454804   2.101463   3.648615
    13  H    4.568953   3.110208   3.484869   2.117908   4.000526
    14  C    3.556787   6.466995   6.168592   6.368661   7.124132
    15  O    3.940356   7.190034   7.031891   7.048621   7.723824
    16  N    3.295638   5.714978   5.243518   5.879804   6.352593
    17  H    3.934018   6.613862   6.297775   6.366201   7.394508
    18  C    3.515391   5.815876   5.367774   6.219937   6.230986
    19  H    3.203464   4.954921   4.474299   5.531969   5.301845
    20  H    4.610536   6.681031   6.103500   7.186715   7.084287
    21  H    3.444793   6.181136   5.934241   6.479090   6.483897
    22  C    3.687359   5.229281   4.526386   5.465580   6.025698
    23  H    4.686234   5.917183   5.051998   6.314364   6.682934
    24  H    3.187301   4.177219   3.431977   4.536856   4.974267
    25  H    3.999663   5.537559   4.895760   5.544680   6.446774
    26  C    3.650883   5.468494   6.188961   4.341084   5.914512
    27  O    4.126895   5.872338   6.747182   4.796976   6.100643
    28  N    3.280474   5.776444   6.267592   4.817615   6.335787
    29  H    4.002994   5.152837   5.862348   3.896789   5.704813
    30  C    3.637804   5.874835   6.122422   4.957820   6.641468
    31  H    4.657685   6.962086   7.172891   6.024540   7.741604
    32  H    3.153850   5.627252   5.690073   4.932786   6.428311
    33  H    3.895821   5.435591   5.699622   4.410736   6.274776
    34  C    3.541378   6.610408   7.064604   5.832384   7.048379
    35  H    4.637403   7.659333   8.114565   6.814266   8.111472
    36  H    3.480752   6.499373   7.081148   5.776483   6.768930
    37  H    3.248149   6.573020   6.851579   5.971422   7.060846
    38  C    3.549814   4.969632   5.417525   5.362414   4.542319
    39  O    3.948025   4.369180   4.870889   4.954071   3.731469
    40  N    3.282876   5.290766   5.900698   5.336652   4.973432
    41  H    3.916367   5.637727   5.879585   6.119485   5.310284
    42  C    3.522262   5.027504   5.895789   4.809696   4.648993
    43  H    3.497481   4.184852   5.140744   4.061550   3.679011
    44  H    4.612131   5.963900   6.889012   5.728801   5.473757
    45  H    3.184720   5.093394   5.966511   4.610673   4.925733
    46  C    3.650232   6.373743   6.870903   6.301297   6.223082
    47  H    3.950177   6.723820   7.044905   6.818367   6.603326
    48  H    3.144499   6.227907   6.713870   5.971726   6.250843
    49  H    4.653498   7.265714   7.851724   7.125678   7.034389
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098866   0.000000
     8  H    1.102031   1.795846   0.000000
     9  H    1.102209   1.795936   1.791048   0.000000
    10  C    2.489880   3.417396   2.776265   2.750989   0.000000
    11  H    2.638461   3.671249   2.476339   2.908910   1.101091
    12  H    3.397074   4.191704   3.660091   3.789121   1.097733
    13  H    2.898162   3.836394   3.354560   2.732997   1.102549
    14  C    7.114512   7.662753   6.576113   7.925823   5.896414
    15  O    7.598489   8.081080   6.928928   8.443840   6.701291
    16  N    6.796076   7.239996   6.438139   7.670311   5.558572
    17  H    7.158119   7.838990   6.635467   7.852137   5.651555
    18  C    7.053677   7.283696   6.732078   8.039377   6.231954
    19  H    6.413257   6.546350   6.227197   7.422724   5.722314
    20  H    8.084039   8.284191   7.807984   9.067768   7.178530
    21  H    7.108013   7.292144   6.650669   8.122681   6.582092
    22  C    6.614166   7.125894   6.456766   7.391999   4.979631
    23  H    7.533869   7.987656   7.454093   8.311983   5.865658
    24  H    5.752255   6.205178   5.721118   6.546816   4.202805
    25  H    6.685291   7.342705   6.492018   7.343573   4.781204
    26  C    3.912190   4.726060   2.932255   4.183757   3.989281
    27  O    4.025683   4.626031   2.955722   4.302820   4.779336
    28  N    4.741418   5.548945   3.814644   5.173755   4.286421
    29  H    3.547160   4.512610   2.775423   3.593878   3.331907
    30  C    5.247032   6.173480   4.531404   5.605338   4.045893
    31  H    6.273330   7.216965   5.530716   6.552036   5.038216
    32  H    5.455809   6.308220   4.822429   5.968703   4.066392
    33  H    4.760259   5.777241   4.201421   4.961608   3.309337
    34  C    5.711165   6.346075   4.711961   6.287552   5.496274
    35  H    6.631002   7.297818   5.607405   7.108988   6.382552
    36  H    5.458291   5.937020   4.408545   6.099174   5.712465
    37  H    6.085426   6.690473   5.176921   6.768734   5.606900
    38  C    5.305389   4.897171   4.961255   6.379058   6.306546
    39  O    4.901821   4.301807   4.805335   5.951136   6.097655
    40  N    5.045547   4.782223   4.446271   6.059644   6.150691
    41  H    6.232483   5.895695   5.875260   7.323643   6.940772
    42  C    4.152887   3.857506   3.482048   5.052106   5.700176
    43  H    3.376007   2.898800   2.942850   4.304336   5.144888
    44  H    4.895797   4.488986   4.237067   5.686019   6.664591
    45  H    3.922650   3.911884   3.030710   4.739044   5.265506
    46  C    6.072131   5.989765   5.310423   7.046342   6.864176
    47  H    6.783352   6.691645   6.102704   7.806826   7.345390
    48  H    5.781071   5.897421   4.915917   6.698676   6.324803
    49  H    6.718032   6.578533   5.903935   7.631030   7.725212
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795874   0.000000
    13  H    1.789512   1.798915   0.000000
    14  C    5.456670   5.330248   6.849893   0.000000
    15  O    6.147885   6.272660   7.688812   1.242824   0.000000
    16  N    5.366264   4.854583   6.540763   1.360771   2.315472
    17  H    5.161520   5.064543   6.497343   1.107976   2.057504
    18  C    6.135994   5.592918   7.275844   2.468068   2.861666
    19  H    5.785369   5.093047   6.761298   3.269870   3.774919
    20  H    7.139993   6.456145   8.191723   3.076584   3.414350
    21  H    6.349426   6.095525   7.663594   2.574695   2.477086
    22  C    5.004857   4.077969   5.843160   2.466635   3.636215
    23  H    5.999685   4.889280   6.669344   3.178433   4.278690
    24  H    4.399886   3.290889   5.087275   3.193341   4.279170
    25  H    4.706529   3.881195   5.536912   2.551133   3.793376
    26  C    2.943862   4.622565   4.539501   5.632121   5.754701
    27  O    3.843822   5.511886   5.323323   6.408158   6.357121
    28  N    3.235170   4.615733   4.980422   4.447335   4.536572
    29  H    2.294808   4.070569   3.676609   6.055863   6.376052
    30  C    3.063613   4.126877   4.649334   4.001656   4.396145
    31  H    4.058818   5.092910   5.531207   4.393870   4.675184
    32  H    3.261547   3.878625   4.815218   2.959952   3.515613
    33  H    2.349502   3.480007   3.735106   4.716683   5.286854
    34  C    4.518466   5.717974   6.302479   4.134412   3.822526
    35  H    5.350784   6.624184   7.102175   4.764900   4.327773
    36  H    4.795511   6.035915   6.557000   4.699592   4.279235
    37  H    4.731762   5.619924   6.500071   3.096701   2.724175
    38  C    6.220610   6.377081   7.314575   5.970217   5.838403
    39  O    6.204610   6.205613   7.024709   6.720905   6.768482
    40  N    5.841191   6.366397   7.147489   5.767723   5.486959
    41  H    6.849596   6.860687   7.991805   5.668010   5.453555
    42  C    5.339585   6.160312   6.576704   6.508002   6.318557
    43  H    4.967378   5.646464   5.965545   6.819833   6.817854
    44  H    6.283155   7.194228   7.478317   7.468926   7.168769
    45  H    4.721360   5.781718   6.122605   6.063706   5.869503
    46  C    6.380784   7.005134   7.893239   5.259430   4.690862
    47  H    6.933408   7.331262   8.416573   4.970994   4.340532
    48  H    5.713142   6.471985   7.340806   4.567006   3.992594
    49  H    7.186397   7.956104   8.713819   6.190012   5.497947
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056635   0.000000
    18  C    1.465073   3.416660   0.000000
    19  H    2.098713   4.093027   1.101555   0.000000
    20  H    2.122112   3.982173   1.102783   1.791742   0.000000
    21  H    2.102700   3.653269   1.097836   1.797171   1.797120
    22  C    1.463111   2.561663   2.491816   2.615270   2.931680
    23  H    2.114333   3.312203   2.789246   2.925123   2.810527
    24  H    2.108780   3.343814   2.744178   2.412599   3.347993
    25  H    2.104932   2.156149   3.419371   3.639088   3.883386
    26  C    6.112238   5.445815   6.791535   6.754138   7.864640
    27  O    6.864283   6.378462   7.340359   7.258810   8.427831
    28  N    5.111587   4.215563   5.916546   6.064614   6.941280
    29  H    6.422896   5.733992   7.205506   7.081935   8.267748
    30  C    4.689208   3.437961   5.787032   6.000641   6.725697
    31  H    5.289509   3.689415   6.467155   6.815928   7.330721
    32  H    3.618983   2.388843   4.789116   5.066337   5.685720
    33  H    5.183349   4.093862   6.298544   6.359362   7.243859
    34  C    4.992106   4.144934   5.616377   5.940781   6.589757
    35  H    5.790364   4.665297   6.477880   6.904741   7.387224
    36  H    5.395327   4.912903   5.759225   5.978183   6.762296
    37  H    4.040417   3.213936   4.688756   5.142936   5.607912
    38  C    5.483437   6.792199   4.636552   4.086845   5.425136
    39  O    6.068078   7.467310   5.252577   4.486592   6.013701
    40  N    5.583325   6.512190   4.988011   4.653272   5.893498
    41  H    5.139216   6.604340   4.078297   3.636175   4.719771
    42  C    6.409833   7.071156   6.059771   5.666544   7.050889
    43  H    6.548009   7.329054   6.212491   5.646369   7.205028
    44  H    7.428637   8.051232   7.016102   6.650213   7.969981
    45  H    6.152748   6.504506   6.041586   5.775849   7.088818
    46  C    5.354521   6.061081   4.802901   4.795872   5.651067
    47  H    4.974767   5.904865   4.204882   4.289549   4.913780
    48  H    4.870441   5.255247   4.614056   4.735685   5.542553
    49  H    6.390762   6.967435   5.839451   5.871387   6.637724
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391199   0.000000
    23  H    3.824088   1.102389   0.000000
    24  H    3.616708   1.102735   1.789892   0.000000
    25  H    4.181339   1.098960   1.797312   1.794713   0.000000
    26  C    6.536130   6.414578   7.516496   6.133457   6.122451
    27  O    6.943856   7.303572   8.399948   6.968058   7.136133
    28  N    5.657086   5.536885   6.628298   5.461006   5.193191
    29  H    7.104435   6.476006   7.559003   6.114879   6.088084
    30  C    5.759038   4.848724   5.897901   4.905427   4.260571
    31  H    6.404966   5.497213   6.482844   5.718815   4.793191
    32  H    4.848121   3.802594   4.842200   3.969877   3.243704
    33  H    6.402186   5.053442   6.083418   4.948726   4.403129
    34  C    5.118587   5.778491   6.820230   5.856931   5.580255
    35  H    5.944089   6.601104   7.612646   6.786010   6.303765
    36  H    5.135166   6.261491   7.297090   6.215719   6.224656
    37  H    4.198920   4.955930   5.947063   5.170218   4.816557
    38  C    4.126827   6.208890   6.859120   5.660248   6.945084
    39  O    4.959460   6.542893   7.148065   5.818739   7.294288
    40  N    4.321145   6.426309   7.223248   5.974371   6.997817
    41  H    3.491288   5.998423   6.530711   5.585184   6.827388
    42  C    5.493640   7.082875   7.981500   6.530322   7.502486
    43  H    5.818576   7.013533   7.886675   6.314723   7.449130
    44  H    6.368974   8.159871   9.048352   7.624104   8.581932
    45  H    5.479895   6.826183   7.805569   6.354133   7.098298
    46  C    3.907483   6.452861   7.247307   6.244319   6.968546
    47  H    3.226534   6.173984   6.844763   6.059624   6.801137
    48  H    3.759662   5.968568   6.849977   5.843329   6.337759
    49  H    4.890161   7.525999   8.323126   7.338340   8.007449
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242633   0.000000
    28  N    1.360958   2.315015   0.000000
    29  H    1.107869   2.057385   2.057139   0.000000
    30  C    2.465731   3.634540   1.463097   2.562126   0.000000
    31  H    3.131458   4.221951   2.116481   3.254927   1.103041
    32  H    3.234010   4.326875   2.107235   3.396480   1.101606
    33  H    2.554982   3.797357   2.103537   2.163967   1.098520
    34  C    2.463050   2.852291   1.465054   3.413797   2.495993
    35  H    3.024296   3.326081   2.123115   3.940333   2.946215
    36  H    2.586137   2.501455   2.100554   3.660442   3.389949
    37  H    3.293367   3.808596   2.098538   4.116437   2.616256
    38  C    6.182127   5.947505   6.134593   6.767380   6.950958
    39  O    6.581779   6.356328   6.706529   7.003492   7.461014
    40  N    5.218784   4.844027   5.215492   5.943130   6.226469
    41  H    6.824506   6.681403   6.574163   7.454156   7.285406
    42  C    4.505761   3.908571   4.870982   5.171500   6.035458
    43  H    4.690005   4.202608   5.190964   5.141123   6.225308
    44  H    5.169952   4.356214   5.637441   5.878220   6.904597
    45  H    3.472803   2.853504   3.864150   4.228497   5.115050
    46  C    5.291855   4.949162   5.011270   6.186032   6.040178
    47  H    6.099088   5.897914   5.641028   6.960087   6.492849
    48  H    4.408710   4.186233   3.993948   5.349051   5.027465
    49  H    5.754806   5.208847   5.578257   6.718793   6.737751
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788051   0.000000
    33  H    1.798541   1.793854   0.000000
    34  C    2.811899   2.733274   3.419944   0.000000
    35  H    2.846422   3.342787   3.901834   1.103506   0.000000
    36  H    3.841981   3.603506   4.172301   1.097334   1.796262
    37  H    2.947378   2.397362   3.632551   1.099728   1.790623
    38  C    7.883892   6.541202   7.305528   5.821482   6.804841
    39  O    8.468917   7.084671   7.646461   6.627862   7.656709
    40  N    7.092899   5.969696   6.665411   4.783082   5.702353
    41  H    8.160734   6.741885   7.738447   6.105116   7.051747
    42  C    6.921773   6.024294   6.328912   4.690094   5.573563
    43  H    7.199864   6.206857   6.340729   5.288606   6.240009
    44  H    7.727156   6.974389   7.218078   5.352132   6.110012
    45  H    5.951552   5.224939   5.444101   3.717577   4.572392
    46  C    6.742922   5.749301   6.695515   4.192974   4.965498
    47  H    7.169226   6.031714   7.194946   4.761794   5.518878
    48  H    5.677314   4.783608   5.749576   3.099217   3.883304
    49  H    7.359866   6.562389   7.422480   4.644734   5.249533
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796627   0.000000
    38  C    5.129876   5.605502   0.000000
    39  O    5.965894   6.479435   1.242614   0.000000
    40  N    3.962633   4.730660   1.361159   2.316882   0.000000
    41  H    5.493953   5.708480   1.108945   2.057717   2.056806
    42  C    3.786010   4.955599   2.467937   2.863404   1.465078
    43  H    4.506523   5.541324   2.567404   2.466394   2.101146
    44  H    4.343542   5.715165   3.085576   3.436983   2.119431
    45  H    2.815949   4.131149   3.264635   3.762975   2.101964
    46  C    3.374646   4.028768   2.465465   3.635921   1.463283
    47  H    4.108913   4.354677   2.547601   3.789341   2.104248
    48  H    2.337262   2.950495   3.193152   4.278801   2.109745
    49  H    3.701989   4.635866   3.177937   4.281365   2.115356
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.416891   0.000000
    43  H    3.649160   1.097518   0.000000
    44  H    3.985968   1.102926   1.798341   0.000000
    45  H    4.092047   1.100649   1.795122   1.791038   0.000000
    46  C    2.558171   2.494318   3.395680   2.918549   2.633689
    47  H    2.149614   3.420377   4.182278   3.874056   3.652026
    48  H    3.342396   2.747580   3.631570   3.331076   2.430396
    49  H    3.306892   2.794954   3.826105   2.796384   2.956133
                   46         47         48         49
    46  C    0.000000
    47  H    1.099013   0.000000
    48  H    1.102715   1.793380   0.000000
    49  H    1.102462   1.798061   1.789945   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2130513      0.1913617      0.1854983
 Leave Link  202 at Mon Nov 14 01:21:51 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.0767261000 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840940404 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1846.8926320596 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4045
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.10D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     225
 GePol: Fraction of low-weight points (<1% of avg)   =       5.56%
 GePol: Cavity surface area                          =    466.273 Ang**2
 GePol: Cavity volume                                =    458.410 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039909644 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1846.8886410952 Hartrees.
 Leave Link  301 at Mon Nov 14 01:21:51 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11972 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:21:52 2016, MaxMem=  2952790016 cpu:        15.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:21:53 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000097    0.000348    0.000619
         Rot=    1.000000   -0.000068    0.000022   -0.000128 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50900201330    
 Leave Link  401 at Mon Nov 14 01:22:00 2016, MaxMem=  2952790016 cpu:        80.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49086075.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.01D-14 for   1425.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.89D-15 for   1472    397.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.66D-15 for   3756.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.97D-10 for   2081   2037.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.11D-14 for    687.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.21D-14 for   1811   1000.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   3178.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.22D-15 for   3178    425.
 E= -1013.45110559215    
 DIIS: error= 1.84D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45110559215     IErMin= 1 ErrMin= 1.84D-04
 ErrMax= 1.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.71D-05 BMatP= 4.71D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.84D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.02D-05 MaxDP=1.24D-03              OVMax= 2.08D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.02D-05    CP:  1.00D+00
 E= -1013.45118797429     Delta-E=       -0.000082382136 Rises=F Damp=F
 DIIS: error= 2.12D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45118797429     IErMin= 2 ErrMin= 2.12D-05
 ErrMax= 2.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.21D-07 BMatP= 4.71D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.159D-01 0.984D+00
 Coeff:      0.159D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.79D-06 MaxDP=2.06D-04 DE=-8.24D-05 OVMax= 4.17D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.57D-06    CP:  1.00D+00  9.61D-01
 E= -1013.45118728462     Delta-E=        0.000000689666 Rises=F Damp=F
 DIIS: error= 5.48D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45118797429     IErMin= 2 ErrMin= 2.12D-05
 ErrMax= 5.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-06 BMatP= 6.21D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-02 0.622D+00 0.375D+00
 Coeff:      0.241D-02 0.622D+00 0.375D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.13D-06 MaxDP=2.25D-04 DE= 6.90D-07 OVMax= 4.13D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.65D-06    CP:  1.00D+00  9.67D-01  4.36D-01
 E= -1013.45118829815     Delta-E=       -0.000001013525 Rises=F Damp=F
 DIIS: error= 2.92D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45118829815     IErMin= 2 ErrMin= 2.12D-05
 ErrMax= 2.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-07 BMatP= 6.21D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.339D-04 0.261D+00 0.296D+00 0.443D+00
 Coeff:     -0.339D-04 0.261D+00 0.296D+00 0.443D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.60D-06 MaxDP=8.74D-05 DE=-1.01D-06 OVMax= 1.45D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.30D-07    CP:  1.00D+00  9.71D-01  5.11D-01  4.75D-01
 E= -1013.45118855285     Delta-E=       -0.000000254700 Rises=F Damp=F
 DIIS: error= 6.50D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45118855285     IErMin= 5 ErrMin= 6.50D-06
 ErrMax= 6.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-08 BMatP= 3.17D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.270D-04 0.145D+00 0.184D+00 0.306D+00 0.365D+00
 Coeff:     -0.270D-04 0.145D+00 0.184D+00 0.306D+00 0.365D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.54D-07 MaxDP=2.40D-05 DE=-2.55D-07 OVMax= 3.12D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.16D-07    CP:  1.00D+00  9.72D-01  5.04D-01  5.00D-01  5.73D-01
 E= -1013.45118857106     Delta-E=       -0.000000018216 Rises=F Damp=F
 DIIS: error= 4.12D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45118857106     IErMin= 6 ErrMin= 4.12D-07
 ErrMax= 4.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-10 BMatP= 2.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.144D-04 0.403D-01 0.533D-01 0.912D-01 0.142D+00 0.673D+00
 Coeff:     -0.144D-04 0.403D-01 0.533D-01 0.912D-01 0.142D+00 0.673D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.76D-08 MaxDP=2.60D-06 DE=-1.82D-08 OVMax= 4.01D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.80D-08    CP:  1.00D+00  9.72D-01  5.07D-01  5.03D-01  5.74D-01
                    CP:  8.74D-01
 E= -1013.45118857121     Delta-E=       -0.000000000147 Rises=F Damp=F
 DIIS: error= 2.29D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45118857121     IErMin= 7 ErrMin= 2.29D-07
 ErrMax= 2.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-11 BMatP= 1.80D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-04 0.109D-01 0.151D-01 0.262D-01 0.488D-01 0.359D+00
 Coeff-Com:  0.540D+00
 Coeff:     -0.104D-04 0.109D-01 0.151D-01 0.262D-01 0.488D-01 0.359D+00
 Coeff:      0.540D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.78D-08 MaxDP=9.84D-07 DE=-1.47D-10 OVMax= 1.17D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  1.00D+00  9.72D-01  5.07D-01  5.03D-01  5.76D-01
                    CP:  8.79D-01  7.72D-01
 E= -1013.45118857119     Delta-E=        0.000000000022 Rises=F Damp=F
 DIIS: error= 4.46D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45118857121     IErMin= 8 ErrMin= 4.46D-08
 ErrMax= 4.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-12 BMatP= 3.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.399D-05 0.918D-03 0.149D-02 0.267D-02 0.730D-02 0.864D-01
 Coeff-Com:  0.224D+00 0.677D+00
 Coeff:     -0.399D-05 0.918D-03 0.149D-02 0.267D-02 0.730D-02 0.864D-01
 Coeff:      0.224D+00 0.677D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.39D-09 MaxDP=2.96D-07 DE= 2.23D-11 OVMax= 1.98D-07

 Error on total polarization charges =  0.04274
 SCF Done:  E(RB97D) =  -1013.45118857     A.U. after    8 cycles
            NFock=  8  Conv=0.54D-08     -V/T= 2.0213
 KE= 9.923519547358D+02 PE=-6.025181320995D+03 EE= 2.172489536593D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:23:42 2016, MaxMem=  2952790016 cpu:      1170.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11972 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     363
 Leave Link  701 at Mon Nov 14 01:23:51 2016, MaxMem=  2952790016 cpu:        98.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:23:51 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:24:27 2016, MaxMem=  2952790016 cpu:       439.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.35869672D+00-2.74468874D+00 3.33450151D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000146663   -0.000373774    0.000066979
      2        6          -0.000011327    0.000164249    0.000052748
      3        8           0.000013803   -0.000005951    0.000066685
      4        7           0.000075884    0.000080204    0.000052683
      5        1           0.000032677    0.000044020   -0.000027987
      6        6          -0.000023693   -0.000004899    0.000034792
      7        1           0.000045722    0.000044385   -0.000004370
      8        1          -0.000033276    0.000043175    0.000038413
      9        1           0.000032708    0.000003699    0.000056243
     10        6           0.000035123    0.000054019   -0.000067308
     11        1           0.000012605    0.000009284    0.000015261
     12        1          -0.000022058    0.000020427    0.000073811
     13        1           0.000019227    0.000017173    0.000015071
     14        6          -0.000019455   -0.000028407   -0.000086365
     15        8          -0.000018234    0.000027041   -0.000016963
     16        7          -0.000017686    0.000016519   -0.000036909
     17        1          -0.000020564   -0.000032334   -0.000018230
     18        6          -0.000039718   -0.000021832   -0.000023237
     19        1           0.000000687   -0.000014216   -0.000059118
     20        1          -0.000012483    0.000006153   -0.000036511
     21        1           0.000015990    0.000033135   -0.000052066
     22        6          -0.000080854    0.000033371   -0.000055435
     23        1           0.000012837    0.000006112   -0.000037935
     24        1          -0.000075442    0.000030783   -0.000009591
     25        1           0.000009154    0.000038173   -0.000024067
     26        6          -0.000014344    0.000010768    0.000068272
     27        8           0.000005914   -0.000024977    0.000033020
     28        7          -0.000002823    0.000007473    0.000037083
     29        1          -0.000007160   -0.000009808    0.000019848
     30        6           0.000010001    0.000069042    0.000003960
     31        1          -0.000040130   -0.000050940    0.000007289
     32        1          -0.000004884   -0.000003888    0.000002866
     33        1           0.000021904   -0.000008788    0.000018310
     34        6           0.000010857   -0.000017236    0.000062584
     35        1          -0.000022197   -0.000020092    0.000007201
     36        1          -0.000060271   -0.000034130   -0.000039160
     37        1          -0.000000633   -0.000036128   -0.000000522
     38        6          -0.000131097   -0.000056103   -0.000157884
     39        8           0.000045623   -0.000034449   -0.000007845
     40        7          -0.000094449    0.000130419   -0.000020337
     41        1           0.000060072   -0.000051715   -0.000013628
     42        6          -0.000121881   -0.000033075   -0.000024575
     43        1          -0.000003598    0.000011053    0.000020147
     44        1           0.000168314    0.000011320    0.000023926
     45        1           0.000037376   -0.000096720    0.000110528
     46        6           0.000023422    0.000006152   -0.000054352
     47        1          -0.000028169   -0.000005320    0.000014262
     48        1           0.000077896    0.000073896   -0.000033949
     49        1          -0.000008034   -0.000027262    0.000006365
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000373774 RMS     0.000058154
 Leave Link  716 at Mon Nov 14 01:24:28 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000069804 RMS     0.000015137
 Search for a local minimum.
 Step number  25 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15137D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20   21   22
                                                     23   24   25
 DE= -7.25D-06 DEPred=-1.37D-06 R= 5.28D+00
 TightC=F SS=  1.41D+00  RLast= 6.28D-02 DXNew= 2.2445D+00 1.8850D-01
 Trust test= 5.28D+00 RLast= 6.28D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  0
     Eigenvalues ---    0.00036   0.00082   0.00139   0.00268   0.00350
     Eigenvalues ---    0.00358   0.00435   0.00461   0.00604   0.00702
     Eigenvalues ---    0.00748   0.00769   0.00862   0.00901   0.00919
     Eigenvalues ---    0.00990   0.01025   0.01057   0.01207   0.01218
     Eigenvalues ---    0.01290   0.01317   0.01367   0.01432   0.01529
     Eigenvalues ---    0.01547   0.01620   0.01706   0.01783   0.01794
     Eigenvalues ---    0.01841   0.01882   0.01951   0.01984   0.02078
     Eigenvalues ---    0.02119   0.02210   0.02251   0.02416   0.02564
     Eigenvalues ---    0.02699   0.03032   0.03094   0.03622   0.03852
     Eigenvalues ---    0.04165   0.04394   0.04702   0.05292   0.05439
     Eigenvalues ---    0.05709   0.05830   0.06026   0.06178   0.06447
     Eigenvalues ---    0.06619   0.06953   0.07299   0.07417   0.07608
     Eigenvalues ---    0.07875   0.07968   0.08178   0.08276   0.08428
     Eigenvalues ---    0.08489   0.08563   0.08769   0.08817   0.08932
     Eigenvalues ---    0.09084   0.09120   0.09673   0.09830   0.09924
     Eigenvalues ---    0.10016   0.10066   0.10136   0.10238   0.10485
     Eigenvalues ---    0.10527   0.10611   0.10762   0.10795   0.11208
     Eigenvalues ---    0.11345   0.11437   0.11652   0.12352   0.13292
     Eigenvalues ---    0.13484   0.14425   0.14627   0.15305   0.15372
     Eigenvalues ---    0.15652   0.16431   0.22043   0.23341   0.23592
     Eigenvalues ---    0.24082   0.24499   0.25242   0.25839   0.26574
     Eigenvalues ---    0.27025   0.27847   0.28671   0.29310   0.29733
     Eigenvalues ---    0.29893   0.29986   0.32717   0.32732   0.32821
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33376   0.33383
     Eigenvalues ---    0.33416   0.33423   0.33452   0.33503   0.33687
     Eigenvalues ---    0.33792   0.33830   0.33832   0.33915   0.33936
     Eigenvalues ---    0.33986   0.34003   0.34146   0.37283   0.39298
     Eigenvalues ---    0.40603   0.41490   0.85943   0.85995   0.86089
     Eigenvalues ---    0.87325
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    25   24   23   22   21
 RFO step:  Lambda=-9.95038158D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  8.10D-06 SmlDif=  1.00D-05
 RMS Error=  0.1068678338D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    3.27112   -2.65804   -1.23607    2.83262   -1.20963
 Iteration  1 RMS(Cart)=  0.00307729 RMS(Int)=  0.00001904
 Iteration  2 RMS(Cart)=  0.00001115 RMS(Int)=  0.00000628
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000628
 ITry= 1 IFail=0 DXMaxC= 2.93D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.61643  -0.00002  -0.00097  -0.00043  -0.00138   6.61505
    R2        6.24184   0.00001   0.00248   0.00072   0.00320   6.24504
    R3        7.11545   0.00005   0.01571   0.00347   0.01918   7.13463
    R4        6.16173   0.00002   0.01645   0.00287   0.01932   6.18105
    R5        6.56879  -0.00004  -0.00622  -0.00144  -0.00767   6.56112
    R6        5.93558   0.00000   0.00053   0.00064   0.00118   5.93676
    R7        6.72135  -0.00002  -0.00121  -0.00083  -0.00204   6.71931
    R8        6.22785   0.00001  -0.00047  -0.00030  -0.00077   6.22709
    R9        6.64313   0.00000   0.00180   0.00001   0.00181   6.64493
   R10        6.05367   0.00001   0.00246  -0.00030   0.00216   6.05583
   R11        6.96810   0.00002  -0.00113  -0.00050  -0.00163   6.96647
   R12        6.02313   0.00001   0.00009  -0.00011  -0.00002   6.02310
   R13        6.89917   0.00000  -0.00348  -0.00019  -0.00367   6.89550
   R14        6.19920   0.00001  -0.00021  -0.00004  -0.00025   6.19895
   R15        6.87445   0.00001  -0.00134   0.00003  -0.00132   6.87313
   R16        5.95991   0.00000  -0.00146   0.00001  -0.00145   5.95847
   R17        6.69223   0.00000   0.00177   0.00060   0.00237   6.69460
   R18        6.70818  -0.00007  -0.00265  -0.00291  -0.00555   6.70263
   R19        6.20374  -0.00002   0.00275   0.00080   0.00354   6.20728
   R20        6.65611   0.00000   0.00248   0.00178   0.00424   6.66035
   R21        6.01825  -0.00001  -0.00361  -0.00142  -0.00503   6.01322
   R22        6.89794  -0.00002   0.00175   0.00117   0.00292   6.90086
   R23        5.94224  -0.00002   0.00142   0.00212   0.00355   5.94579
   R24        2.34882   0.00000   0.00003   0.00005   0.00008   2.34890
   R25        2.57246   0.00002   0.00002  -0.00006  -0.00005   2.57241
   R26        2.09498   0.00000   0.00002  -0.00004  -0.00002   2.09496
   R27        2.76549  -0.00004   0.00018  -0.00011   0.00007   2.76555
   R28        2.76738   0.00001   0.00021  -0.00004   0.00016   2.76755
   R29        2.07656   0.00000   0.00006   0.00004   0.00010   2.07666
   R30        2.08254   0.00000  -0.00012   0.00003  -0.00008   2.08245
   R31        2.08287  -0.00001  -0.00010  -0.00001  -0.00010   2.08277
   R32        2.08076   0.00000  -0.00011   0.00000  -0.00011   2.08065
   R33        2.07441   0.00000   0.00001   0.00000   0.00001   2.07443
   R34        2.08352   0.00000  -0.00004   0.00001  -0.00003   2.08349
   R35        2.34860   0.00002   0.00003   0.00001   0.00004   2.34864
   R36        2.57148  -0.00001  -0.00004   0.00004  -0.00001   2.57148
   R37        2.09377   0.00000   0.00003  -0.00001   0.00002   2.09379
   R38        2.76859  -0.00001  -0.00001  -0.00006  -0.00007   2.76852
   R39        2.76488  -0.00002   0.00009   0.00001   0.00010   2.76498
   R40        2.08164   0.00000  -0.00011   0.00007  -0.00004   2.08160
   R41        2.08396   0.00000   0.00003  -0.00001   0.00002   2.08398
   R42        2.07461   0.00000  -0.00008   0.00005  -0.00003   2.07458
   R43        2.08321   0.00000  -0.00001   0.00001   0.00000   2.08322
   R44        2.08387   0.00001   0.00008  -0.00006   0.00003   2.08389
   R45        2.07673   0.00000   0.00001   0.00001   0.00001   2.07675
   R46        2.34824  -0.00001  -0.00007  -0.00001  -0.00008   2.34816
   R47        2.57184   0.00000   0.00016  -0.00005   0.00011   2.57195
   R48        2.09357   0.00000  -0.00001   0.00002   0.00002   2.09359
   R49        2.76485   0.00000   0.00014  -0.00005   0.00010   2.76495
   R50        2.76855  -0.00001  -0.00006  -0.00004  -0.00010   2.76845
   R51        2.08444   0.00000  -0.00001  -0.00001  -0.00001   2.08443
   R52        2.08173   0.00001   0.00009   0.00003   0.00014   2.08188
   R53        2.07590   0.00000  -0.00003   0.00001  -0.00002   2.07588
   R54        2.08532  -0.00001  -0.00003   0.00002  -0.00001   2.08532
   R55        2.07366   0.00000   0.00001   0.00000   0.00000   2.07366
   R56        2.07819   0.00000   0.00007   0.00005   0.00011   2.07830
   R57        2.34820  -0.00003  -0.00010   0.00010  -0.00001   2.34819
   R58        2.57222   0.00005  -0.00010   0.00001  -0.00007   2.57215
   R59        2.09560   0.00000  -0.00001   0.00002   0.00000   2.09561
   R60        2.76860   0.00003  -0.00042  -0.00003  -0.00045   2.76814
   R61        2.76520   0.00003  -0.00053   0.00012  -0.00041   2.76480
   R62        2.07401   0.00000  -0.00007  -0.00003  -0.00010   2.07391
   R63        2.08423   0.00001   0.00012   0.00000   0.00013   2.08435
   R64        2.07992   0.00004   0.00003   0.00015   0.00020   2.08013
   R65        2.07683   0.00000  -0.00008   0.00005  -0.00003   2.07680
   R66        2.08383   0.00002  -0.00001   0.00001   0.00001   2.08384
   R67        2.08335   0.00000   0.00016  -0.00003   0.00013   2.08348
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    A2        0.96927  -0.00001  -0.00184  -0.00042  -0.00227   0.96700
    A3        0.72362   0.00001   0.00033   0.00009   0.00042   0.72404
    A4        1.01772   0.00001   0.00026   0.00003   0.00029   1.01800
    A5        2.31725   0.00002   0.00085   0.00025   0.00109   2.31834
    A6        1.99701   0.00001   0.00086   0.00018   0.00105   1.99805
    A7        1.95416   0.00001   0.00091   0.00011   0.00101   1.95517
    A8        1.66142   0.00000   0.00103   0.00010   0.00113   1.66255
    A9        1.62853   0.00002   0.00073   0.00017   0.00090   1.62943
   A10        1.34630   0.00002   0.00071   0.00016   0.00087   1.34717
   A11        1.74045   0.00000  -0.00079  -0.00007  -0.00086   1.73959
   A12        2.03803   0.00000  -0.00023   0.00005  -0.00019   2.03785
   A13        1.93279   0.00001   0.00033   0.00022   0.00055   1.93334
   A14        2.01347   0.00002   0.00066   0.00032   0.00098   2.01445
   A15        2.43724   0.00000  -0.00052  -0.00007  -0.00059   2.43665
   A16        1.56425  -0.00003  -0.00168  -0.00091  -0.00257   1.56168
   A17        1.78809  -0.00003  -0.00221  -0.00092  -0.00314   1.78496
   A18        1.59555  -0.00002  -0.00188  -0.00084  -0.00272   1.59284
   A19        1.73027   0.00000  -0.00215  -0.00125  -0.00340   1.72687
   A20        2.19995  -0.00003  -0.00237  -0.00098  -0.00335   2.19660
   A21        2.42752  -0.00003  -0.00347  -0.00117  -0.00465   2.42287
   A22        0.65453  -0.00001  -0.00082  -0.00021  -0.00103   0.65350
   A23        0.66285   0.00000  -0.00011  -0.00012  -0.00024   0.66262
   A24        2.37962   0.00001   0.00020   0.00009   0.00029   2.37990
   A25        2.19934   0.00001   0.00045   0.00008   0.00053   2.19987
   A26        2.29693   0.00001   0.00070   0.00005   0.00075   2.29768
   A27        2.03267   0.00000   0.00091   0.00006   0.00098   2.03365
   A28        1.79290   0.00002   0.00034   0.00005   0.00039   1.79329
   A29        1.54772   0.00002   0.00055   0.00010   0.00065   1.54837
   A30        1.34524   0.00000  -0.00067  -0.00003  -0.00071   1.34453
   A31        1.64182   0.00000  -0.00039   0.00001  -0.00039   1.64143
   A32        1.58895   0.00000  -0.00024   0.00005  -0.00020   1.58876
   A33        1.73840   0.00001  -0.00014   0.00007  -0.00007   1.73832
   A34        2.03937   0.00000  -0.00048  -0.00005  -0.00052   2.03884
   A35        1.79634  -0.00002  -0.00076  -0.00067  -0.00143   1.79491
   A36        1.88937  -0.00003  -0.00126  -0.00071  -0.00197   1.88739
   A37        1.56292  -0.00002  -0.00088  -0.00058  -0.00146   1.56146
   A38        1.58058   0.00000  -0.00114  -0.00099  -0.00213   1.57845
   A39        2.26742  -0.00002  -0.00172  -0.00074  -0.00247   2.26495
   A40        2.36818  -0.00004  -0.00292  -0.00090  -0.00383   2.36435
   A41        0.69763   0.00000  -0.00060  -0.00022  -0.00082   0.69681
   A42        0.76386   0.00000  -0.00123  -0.00055  -0.00179   0.76207
   A43        2.66400   0.00000  -0.00091  -0.00023  -0.00114   2.66286
   A44        2.59078   0.00000  -0.00078  -0.00022  -0.00100   2.58978
   A45        2.64051   0.00000  -0.00004  -0.00008  -0.00012   2.64038
   A46        2.33482   0.00000   0.00023  -0.00004   0.00018   2.33500
   A47        2.18367   0.00001  -0.00087  -0.00025  -0.00112   2.18255
   A48        1.94402   0.00001  -0.00062  -0.00018  -0.00080   1.94322
   A49        1.11097   0.00000  -0.00077  -0.00015  -0.00092   1.11005
   A50        1.47113   0.00000  -0.00066  -0.00018  -0.00083   1.47029
   A51        1.57518   0.00000  -0.00100  -0.00028  -0.00128   1.57390
   A52        1.81061   0.00000  -0.00110  -0.00031  -0.00141   1.80921
   A53        1.79381   0.00000  -0.00029  -0.00012  -0.00041   1.79340
   A54        1.62200   0.00000   0.00067  -0.00020   0.00047   1.62247
   A55        1.59112  -0.00002   0.00025  -0.00029  -0.00004   1.59109
   A56        1.21106  -0.00001   0.00058  -0.00018   0.00041   1.21146
   A57        1.18913   0.00001   0.00018  -0.00065  -0.00048   1.18865
   A58        1.91859  -0.00002  -0.00033  -0.00031  -0.00065   1.91794
   A59        1.97693  -0.00003  -0.00163  -0.00056  -0.00220   1.97474
   A60        0.84727   0.00000   0.00122   0.00018   0.00140   0.84867
   A61        0.79355   0.00001   0.00106  -0.00006   0.00100   0.79455
   A62        2.60735   0.00001   0.00227   0.00047   0.00274   2.61009
   A63        2.76132   0.00001   0.00158   0.00029   0.00186   2.76319
   A64        2.59842  -0.00001  -0.00152  -0.00044  -0.00196   2.59646
   A65        2.38351   0.00001   0.00093   0.00012   0.00104   2.38455
   A66        2.18275   0.00001   0.00054   0.00006   0.00059   2.18334
   A67        0.86943   0.00001   0.00109   0.00027   0.00135   0.87079
   A68        1.24526   0.00001   0.00140   0.00027   0.00168   1.24693
   A69        1.42988   0.00001   0.00156   0.00026   0.00183   1.43171
   A70        1.70134   0.00001   0.00160   0.00025   0.00186   1.70319
   A71        1.52876   0.00000   0.00120   0.00023   0.00143   1.53019
   A72        1.63049   0.00000  -0.00173  -0.00065  -0.00238   1.62811
   A73        1.49413  -0.00002  -0.00178  -0.00069  -0.00247   1.49165
   A74        1.07569  -0.00002  -0.00135  -0.00054  -0.00188   1.07381
   A75        0.97881   0.00001  -0.00098  -0.00083  -0.00181   0.97700
   A76        1.75007  -0.00002  -0.00188  -0.00057  -0.00245   1.74761
   A77        1.74957  -0.00003  -0.00250  -0.00067  -0.00319   1.74639
   A78        1.98864   0.00000  -0.00038  -0.00001  -0.00039   1.98825
   A79        1.92532   0.00000  -0.00021  -0.00002  -0.00023   1.92509
   A80        2.20070   0.00000  -0.00003  -0.00004  -0.00006   2.20064
   A81        2.05665   0.00000   0.00038   0.00000   0.00039   2.05704
   A82        1.53635   0.00001  -0.00023  -0.00005  -0.00028   1.53607
   A83        1.36268   0.00001   0.00020   0.00006   0.00026   1.36294
   A84        1.18727   0.00001   0.00039   0.00020   0.00059   1.18786
   A85        1.37347   0.00001   0.00032   0.00019   0.00051   1.37398
   A86        1.20918   0.00001   0.00001   0.00014   0.00015   1.20934
   A87        1.31752   0.00000  -0.00020   0.00008  -0.00012   1.31739
   A88        1.79962   0.00000   0.00021   0.00015   0.00036   1.79998
   A89        2.22862  -0.00001  -0.00049  -0.00063  -0.00111   2.22750
   A90        2.28624  -0.00002  -0.00045  -0.00054  -0.00100   2.28525
   A91        1.90373  -0.00001   0.00010  -0.00035  -0.00025   1.90347
   A92        1.82185   0.00001   0.00013  -0.00063  -0.00051   1.82133
   A93        2.59731  -0.00002  -0.00065  -0.00039  -0.00106   2.59625
   A94        2.54076  -0.00002  -0.00126  -0.00033  -0.00160   2.53916
   A95        1.90167   0.00000   0.00040   0.00034   0.00074   1.90241
   A96        1.97120   0.00001   0.00082   0.00042   0.00124   1.97244
   A97        2.34418   0.00000   0.00095   0.00042   0.00137   2.34555
   A98        2.29564   0.00000   0.00135   0.00041   0.00176   2.29740
   A99        1.63933   0.00001   0.00093   0.00040   0.00133   1.64066
   A100       1.53755   0.00002   0.00146   0.00052   0.00198   1.53952
   A101       0.88477   0.00000  -0.00021  -0.00002  -0.00023   0.88455
   A102       1.05519   0.00000  -0.00011   0.00008  -0.00003   1.05516
   A103       0.92718   0.00000  -0.00011   0.00017   0.00005   0.92723
   A104       1.08932   0.00000  -0.00008   0.00020   0.00012   1.08944
   A105       1.48120   0.00000  -0.00023   0.00004  -0.00019   1.48101
   A106       2.38586   0.00000  -0.00057  -0.00076  -0.00132   2.38454
   A107       2.28296  -0.00001  -0.00078  -0.00074  -0.00152   2.28144
   A108       1.85665  -0.00001  -0.00049  -0.00061  -0.00109   1.85555
   A109       1.68516   0.00000  -0.00046  -0.00081  -0.00127   1.68389
   A110       2.44066  -0.00001  -0.00102  -0.00044  -0.00147   2.43919
   A111       2.28149  -0.00002  -0.00151  -0.00039  -0.00191   2.27958
   A112       0.71288   0.00000  -0.00006   0.00005  -0.00001   0.71287
   A113       1.00477   0.00000  -0.00008   0.00008  -0.00001   1.00476
   A114       0.69400   0.00000   0.00015   0.00008   0.00023   0.69423
   A115       0.98092   0.00000   0.00025   0.00010   0.00035   0.98127
   A116       1.79370   0.00001   0.00118   0.00025   0.00143   1.79513
   A117       1.41446   0.00001   0.00091   0.00025   0.00116   1.41562
   A118       1.17943   0.00001   0.00075   0.00023   0.00098   1.18041
   A119       0.90623   0.00001   0.00065   0.00021   0.00086   0.90709
   A120       1.24350   0.00000   0.00075   0.00025   0.00100   1.24451
   A121       1.99491   0.00000   0.00012   0.00040   0.00051   1.99543
   A122       2.00568   0.00001   0.00096   0.00059   0.00155   2.00722
   A123       2.33275   0.00001   0.00079   0.00053   0.00131   2.33406
   A124       2.23557  -0.00002   0.00132   0.00100   0.00233   2.23790
   A125       1.63580   0.00001   0.00154   0.00066   0.00219   1.63799
   A126       1.49557   0.00002   0.00277   0.00090   0.00367   1.49924
   A127       0.65704  -0.00001  -0.00008   0.00003  -0.00006   0.65699
   A128       0.66181  -0.00001   0.00004   0.00001   0.00004   0.66185
   A129       2.14988   0.00001   0.00144   0.00036   0.00180   2.15168
   A130       1.78071   0.00001   0.00115   0.00035   0.00150   1.78221
   A131       1.48284   0.00001   0.00111   0.00037   0.00147   1.48431
   A132       1.19078   0.00001   0.00104   0.00036   0.00139   1.19218
   A133       1.63590   0.00000   0.00081   0.00030   0.00111   1.63701
   A134       1.85701  -0.00001  -0.00073   0.00009  -0.00065   1.85635
   A135       2.02712   0.00001   0.00006   0.00036   0.00042   2.02755
   A136       2.44573   0.00001  -0.00012   0.00028   0.00015   2.44588
   A137       2.50283  -0.00002   0.00063   0.00089   0.00153   2.50436
   A138       1.75832   0.00001   0.00099   0.00047   0.00146   1.75978
   A139       1.71469   0.00002   0.00244   0.00079   0.00323   1.71792
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   A141       0.83826  -0.00001  -0.00025  -0.00010  -0.00035   0.83791
   A142       2.49183   0.00000   0.00088   0.00025   0.00113   2.49296
   A143       2.11220   0.00000   0.00064   0.00025   0.00089   2.11310
   A144       1.88473   0.00001   0.00082   0.00031   0.00113   1.88586
   A145       1.59925   0.00001   0.00079   0.00032   0.00110   1.60035
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   A149       2.07466   0.00001  -0.00055   0.00012  -0.00043   2.07423
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   A151       1.46875   0.00001   0.00041   0.00026   0.00068   1.46943
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   A167       1.83420   0.00001   0.00156   0.00046   0.00202   1.83622
   A168       1.44672   0.00002   0.00145   0.00046   0.00191   1.44864
   A169       1.16957   0.00001   0.00137   0.00046   0.00182   1.17139
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   A175       2.12172   0.00002   0.00255   0.00083   0.00338   2.12510
   A176       2.22334   0.00002   0.00219   0.00059   0.00278   2.22611
   A177       2.01053   0.00002   0.00213   0.00063   0.00275   2.01329
   A178       1.59972   0.00002   0.00202   0.00064   0.00266   1.60238
   A179       1.35292   0.00002   0.00188   0.00062   0.00250   1.35542
   A180       2.11063   0.00001   0.00160   0.00052   0.00212   2.11275
   A181       1.99328  -0.00004  -0.00236  -0.00060  -0.00296   1.99032
   A182       2.35345  -0.00002  -0.00185  -0.00030  -0.00216   2.35129
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   A184       2.30029   0.00000  -0.00015   0.00006  -0.00010   2.30019
   A185       2.35084   0.00001   0.00192   0.00060   0.00253   2.35336
   A186       0.69020   0.00000   0.00033  -0.00001   0.00032   0.69052
   A187       0.98055   0.00000   0.00041  -0.00001   0.00041   0.98097
   A188       0.69843   0.00000   0.00022  -0.00002   0.00020   0.69863
   A189       2.06474   0.00001   0.00009  -0.00004   0.00004   2.06477
   A190       1.70172   0.00000  -0.00011  -0.00020  -0.00031   1.70141
   A191       1.35793  -0.00002  -0.00028  -0.00015  -0.00042   1.35751
   A192       1.05789  -0.00001  -0.00006  -0.00015  -0.00021   1.05768
   A193       1.62149  -0.00001  -0.00043  -0.00009  -0.00052   1.62097
   A194       1.40541  -0.00002  -0.00106  -0.00023  -0.00129   1.40411
   A195       0.66619   0.00000   0.00020   0.00000   0.00020   0.66640
   A196       2.23031   0.00002   0.00053   0.00019   0.00071   2.23101
   A197       1.83682   0.00000   0.00037   0.00001   0.00038   1.83720
   A198       1.59497  -0.00001   0.00005  -0.00001   0.00004   1.59501
   A199       1.28093  -0.00002   0.00032   0.00014   0.00046   1.28139
   A200       1.61370  -0.00001   0.00010   0.00014   0.00024   1.61394
   A201       1.34108  -0.00001  -0.00020   0.00006  -0.00014   1.34094
   A202       0.70969   0.00000  -0.00010  -0.00005  -0.00015   0.70953
   A203       2.62690   0.00002   0.00076   0.00028   0.00102   2.62792
   A204       2.23684   0.00001   0.00060   0.00007   0.00067   2.23752
   A205       2.00526  -0.00001   0.00013  -0.00005   0.00009   2.00534
   A206       1.69140  -0.00002   0.00040   0.00008   0.00049   1.69188
   A207       1.95385   0.00000   0.00054   0.00028   0.00082   1.95466
   A208       1.66508  -0.00001   0.00054   0.00026   0.00080   1.66588
   A209       0.83351   0.00000  -0.00002  -0.00003  -0.00005   0.83347
   A210       2.69960   0.00001   0.00097   0.00054   0.00149   2.70109
   A211       2.37487   0.00001   0.00098   0.00029   0.00126   2.37613
   A212       2.24900  -0.00001   0.00034   0.00005   0.00039   2.24939
   A213       1.93794  -0.00002   0.00060   0.00023   0.00085   1.93879
   A214       2.00967   0.00000   0.00100   0.00045   0.00145   2.01112
   A215       1.72509   0.00000   0.00130   0.00048   0.00177   1.72687
   A216       1.92613   0.00002   0.00092   0.00041   0.00132   1.92745
   A217       1.55184   0.00001   0.00089   0.00024   0.00113   1.55297
   A218       1.45224  -0.00001   0.00047   0.00020   0.00067   1.45291
   A219       1.16697  -0.00002   0.00078   0.00051   0.00131   1.16828
   A220       1.24460   0.00000   0.00060   0.00031   0.00092   1.24552
   A221       0.95721  -0.00001   0.00050   0.00027   0.00077   0.95799
   A222       0.71290   0.00003   0.00028   0.00008   0.00037   0.71327
   A223       1.00685   0.00003   0.00014   0.00011   0.00025   1.00710
   A224       0.69846   0.00002   0.00008   0.00007   0.00014   0.69860
   A225       0.98767   0.00002  -0.00008   0.00005  -0.00003   0.98764
   A226       0.66135   0.00000  -0.00013   0.00004  -0.00009   0.66126
   A227       0.66755   0.00001  -0.00059  -0.00017  -0.00076   0.66680
   A228       0.70951   0.00000  -0.00089  -0.00014  -0.00103   0.70848
   A229       0.84244  -0.00001  -0.00184  -0.00035  -0.00220   0.84024
   A230       0.77990  -0.00002  -0.00072   0.00028  -0.00044   0.77946
   A231       0.78814  -0.00004  -0.00180   0.00010  -0.00170   0.78645
   A232       1.63152  -0.00007  -0.00525  -0.00149  -0.00674   1.62478
   A233       1.82910   0.00004   0.00457   0.00147   0.00604   1.83514
   A234       2.19187  -0.00003  -0.00012   0.00000  -0.00012   2.19175
   A235       2.12901   0.00001  -0.00015   0.00004  -0.00010   2.12891
   A236       1.96191   0.00002   0.00026  -0.00004   0.00022   1.96212
   A237       2.12235  -0.00002  -0.00042   0.00007  -0.00035   2.12199
   A238       2.12626   0.00000  -0.00049   0.00000  -0.00049   2.12577
   A239       2.03352   0.00002   0.00095  -0.00007   0.00088   2.03440
   A240       1.80724   0.00003   0.00839   0.00231   0.01070   1.81794
   A241       2.56352  -0.00002  -0.00772  -0.00228  -0.00998   2.55354
   A242       1.91256   0.00002  -0.00023   0.00006  -0.00017   1.91240
   A243       1.91791  -0.00001   0.00072  -0.00003   0.00068   1.91859
   A244       1.91876   0.00001  -0.00042  -0.00013  -0.00052   1.91824
   A245       1.90878   0.00000  -0.00045   0.00007  -0.00038   1.90840
   A246       1.90869  -0.00002  -0.00028   0.00002  -0.00026   1.90843
   A247       1.89702   0.00001   0.00067   0.00000   0.00064   1.89766
   A248       1.34802  -0.00006  -0.00695  -0.00196  -0.00891   1.33910
   A249       1.90677   0.00001   0.00026  -0.00016   0.00010   1.90687
   A250       1.90893   0.00000  -0.00039   0.00005  -0.00034   1.90859
   A251       1.92675   0.00000   0.00010   0.00000   0.00010   1.92685
   A252       1.91148  -0.00003  -0.00039   0.00001  -0.00038   1.91110
   A253       1.89538   0.00000   0.00036   0.00009   0.00045   1.89583
   A254       1.91440   0.00003   0.00006   0.00002   0.00008   1.91448
   A255       1.72193  -0.00003  -0.00006  -0.00003  -0.00008   1.72184
   A256       1.77498   0.00002  -0.00006  -0.00025  -0.00031   1.77467
   A257       2.19073  -0.00001  -0.00003   0.00003   0.00000   2.19073
   A258       2.13002   0.00000  -0.00006  -0.00001  -0.00006   2.12996
   A259       1.96224   0.00001   0.00009  -0.00002   0.00007   1.96230
   A260       2.12349   0.00000  -0.00014   0.00003  -0.00012   2.12337
   A261       2.12392   0.00001   0.00010   0.00003   0.00012   2.12404
   A262       2.03568  -0.00001   0.00005  -0.00006   0.00000   2.03568
   A263       1.34918  -0.00004   0.00062   0.00022   0.00084   1.35002
   A264       1.90041  -0.00001   0.00009  -0.00002   0.00008   1.90048
   A265       1.93162   0.00000  -0.00008   0.00001  -0.00008   1.93154
   A266       1.90977  -0.00001   0.00010  -0.00009   0.00001   1.90978
   A267       1.89797   0.00000  -0.00002   0.00002   0.00000   1.89798
   A268       1.91280   0.00000   0.00001   0.00005   0.00006   1.91286
   A269       1.91114   0.00002  -0.00009   0.00003  -0.00006   1.91107
   A270       2.64528   0.00002   0.00153   0.00044   0.00196   2.64725
   A271       1.71853  -0.00002  -0.00154  -0.00046  -0.00200   1.71653
   A272       1.92354   0.00001   0.00005   0.00006   0.00011   1.92365
   A273       1.91544  -0.00001  -0.00006  -0.00005  -0.00011   1.91533
   A274       1.91406  -0.00002  -0.00012   0.00001  -0.00012   1.91395
   A275       1.89410   0.00000   0.00007  -0.00004   0.00002   1.89412
   A276       1.91050   0.00000   0.00004   0.00002   0.00006   1.91056
   A277       1.90598   0.00001   0.00003   0.00001   0.00004   1.90601
   A278       1.81096   0.00000   0.00031   0.00013   0.00043   1.81139
   A279       1.75323  -0.00001  -0.00161  -0.00011  -0.00171   1.75152
   A280       2.18996   0.00001   0.00021  -0.00011   0.00011   2.19007
   A281       2.13027   0.00000   0.00004   0.00009   0.00013   2.13040
   A282       1.96287  -0.00001  -0.00025   0.00002  -0.00023   1.96263
   A283       2.12239   0.00001   0.00016  -0.00004   0.00013   2.12252
   A284       2.11600   0.00000   0.00042   0.00004   0.00046   2.11646
   A285       2.04116   0.00000  -0.00047  -0.00003  -0.00050   2.04067
   A286       2.69659  -0.00002  -0.00021  -0.00003  -0.00024   2.69635
   A287       1.66315   0.00002   0.00036  -0.00002   0.00034   1.66349
   A288       1.92587   0.00000  -0.00034   0.00006  -0.00029   1.92558
   A289       1.91450   0.00000   0.00036  -0.00001   0.00036   1.91486
   A290       1.91261   0.00001   0.00008  -0.00002   0.00006   1.91267
   A291       1.89185  -0.00001  -0.00004  -0.00005  -0.00009   1.89176
   A292       1.91216   0.00000  -0.00015   0.00003  -0.00012   1.91204
   A293       1.90664   0.00000   0.00010  -0.00001   0.00008   1.90672
   A294       1.35952  -0.00004   0.00275   0.00093   0.00369   1.36321
   A295       1.14739   0.00001  -0.00181  -0.00059  -0.00241   1.14498
   A296       1.93227   0.00000  -0.00009  -0.00003  -0.00012   1.93216
   A297       1.90735  -0.00002   0.00005   0.00004   0.00009   1.90744
   A298       1.90208   0.00001   0.00011  -0.00009   0.00003   1.90211
   A299       1.90950   0.00002   0.00023  -0.00002   0.00021   1.90972
   A300       1.89762   0.00000  -0.00021  -0.00003  -0.00024   1.89739
   A301       1.91495  -0.00001  -0.00011   0.00013   0.00002   1.91497
   A302       1.73494  -0.00004  -0.00486  -0.00087  -0.00573   1.72922
   A303       1.76340  -0.00005   0.00467  -0.00071   0.00398   1.76737
   A304       2.19283  -0.00004   0.00012   0.00013   0.00030   2.19313
   A305       2.12926   0.00003   0.00008  -0.00006   0.00003   2.12930
   A306       1.96086   0.00000  -0.00017  -0.00008  -0.00032   1.96054
   A307       2.12280   0.00006   0.00161   0.00005   0.00170   2.12450
   A308       2.12151   0.00000   0.00069  -0.00010   0.00057   2.12208
   A309       2.03874  -0.00006  -0.00236   0.00003  -0.00233   2.03641
   A310       1.39154  -0.00001   0.00498   0.00204   0.00701   1.39855
   A311       2.96516  -0.00002  -0.00531  -0.00236  -0.00767   2.95750
   A312       1.90794  -0.00004   0.00077   0.00012   0.00084   1.90879
   A313       1.92770   0.00001  -0.00029  -0.00009  -0.00035   1.92735
   A314       1.90582  -0.00003  -0.00033   0.00005  -0.00030   1.90552
   A315       1.91328   0.00003  -0.00019   0.00022   0.00003   1.91332
   A316       1.91115   0.00005   0.00158  -0.00013   0.00149   1.91263
   A317       1.89784  -0.00002  -0.00153  -0.00017  -0.00170   1.89614
   A318       1.70479   0.00000   0.00010  -0.00136  -0.00127   1.70352
   A319       1.91285  -0.00002   0.00112  -0.00019   0.00093   1.91378
   A320       1.91660  -0.00001  -0.00107  -0.00014  -0.00122   1.91538
   A321       1.92468   0.00001  -0.00006   0.00018   0.00013   1.92481
   A322       1.90385   0.00003   0.00141  -0.00025   0.00116   1.90500
   A323       1.91152  -0.00001  -0.00063   0.00021  -0.00042   1.91110
   A324       1.89412  -0.00001  -0.00077   0.00018  -0.00058   1.89353
   A325       2.92343   0.00000  -0.00093  -0.00032  -0.00125   2.92217
   A326       3.35880   0.00002  -0.00142  -0.00108  -0.00251   3.35629
   A327       3.07657   0.00002  -0.00144  -0.00108  -0.00253   3.07404
   A328       3.26242  -0.00003  -0.00689  -0.00195  -0.00883   3.25358
   A329       3.26032  -0.00002   0.00053   0.00025   0.00078   3.26109
   A330       3.26902  -0.00002   0.00298   0.00092   0.00390   3.27293
   A331       3.61631  -0.00001  -0.00053  -0.00115  -0.00168   3.61463
   A332       3.21745   0.00001   0.00241   0.00046   0.00288   3.22032
   A333       3.06010  -0.00001  -0.00145  -0.00018  -0.00164   3.05846
   A334       3.00397  -0.00001  -0.00204  -0.00033  -0.00237   3.00161
   A335       3.23756   0.00000  -0.00004  -0.00012  -0.00016   3.23740
   A336       3.07478   0.00000   0.00069   0.00000   0.00070   3.07548
   A337       3.10054   0.00000  -0.00072  -0.00020  -0.00092   3.09962
   A338       3.03451   0.00001  -0.00068   0.00031  -0.00037   3.03414
    D1        2.75540  -0.00001   0.00101   0.00027   0.00128   2.75668
    D2       -1.35665  -0.00001   0.00010   0.00015   0.00024  -1.35641
    D3        2.76706   0.00000   0.00507   0.00122   0.00629   2.77335
    D4       -1.34499   0.00000   0.00416   0.00110   0.00526  -1.33974
    D5        1.64726  -0.00001   0.00158   0.00057   0.00216   1.64942
    D6       -2.46479  -0.00001   0.00068   0.00045   0.00112  -2.46366
    D7        1.81000   0.00000   0.00336   0.00120   0.00455   1.81456
    D8       -2.30205   0.00000   0.00245   0.00107   0.00352  -2.29853
    D9        0.29019   0.00000   0.00306   0.00082   0.00389   0.29408
   D10        2.46132  -0.00001   0.00215   0.00070   0.00285   2.46418
   D11        0.01453   0.00000   0.00273   0.00077   0.00351   0.01804
   D12        2.18567  -0.00001   0.00183   0.00065   0.00247   2.18814
   D13       -0.45039   0.00000   0.00266   0.00076   0.00342  -0.44698
   D14        1.72074  -0.00001   0.00175   0.00063   0.00238   1.72313
   D15       -0.57371   0.00001   0.00258   0.00076   0.00335  -0.57036
   D16        1.59742   0.00001   0.00167   0.00064   0.00231   1.59974
   D17        0.19426  -0.00001   0.00271   0.00082   0.00353   0.19780
   D18        2.36540  -0.00001   0.00180   0.00070   0.00250   2.36790
   D19        0.13814  -0.00001   0.00213   0.00068   0.00281   0.14095
   D20        2.30927  -0.00001   0.00122   0.00055   0.00177   2.31105
   D21        2.34346   0.00001   0.00453   0.00130   0.00583   2.34929
   D22       -1.76859   0.00001   0.00362   0.00118   0.00480  -1.76380
   D23        2.09213   0.00002   0.00485   0.00145   0.00629   2.09842
   D24       -2.01992   0.00002   0.00394   0.00132   0.00526  -2.01466
   D25        1.65416   0.00002   0.00455   0.00138   0.00593   1.66009
   D26       -2.45789   0.00002   0.00364   0.00126   0.00489  -2.45299
   D27        1.34750   0.00002   0.00450   0.00137   0.00587   1.35336
   D28       -2.76455   0.00001   0.00359   0.00125   0.00483  -2.75972
   D29        2.28590   0.00003   0.00535   0.00169   0.00704   2.29293
   D30       -1.82616   0.00003   0.00444   0.00156   0.00601  -1.82015
   D31       -1.86840   0.00002   0.00423   0.00108   0.00531  -1.86309
   D32        0.30273   0.00002   0.00332   0.00095   0.00427   0.30701
   D33       -2.19458   0.00000   0.00374   0.00088   0.00462  -2.18996
   D34       -0.02345   0.00000   0.00283   0.00075   0.00359  -0.01986
   D35       -2.58067  -0.00001   0.00394   0.00101   0.00495  -2.57572
   D36       -0.40954  -0.00001   0.00303   0.00089   0.00392  -0.40562
   D37       -2.86583   0.00000   0.00416   0.00100   0.00517  -2.86066
   D38       -0.69470   0.00000   0.00325   0.00088   0.00414  -0.69056
   D39       -2.17954  -0.00001   0.00263   0.00083   0.00346  -2.17608
   D40       -0.00840  -0.00001   0.00172   0.00071   0.00242  -0.00598
   D41       -2.42634  -0.00002   0.00165   0.00075   0.00240  -2.42395
   D42       -0.25521  -0.00003   0.00074   0.00062   0.00136  -0.25384
   D43        1.28582  -0.00002  -0.00615  -0.00138  -0.00753   1.27830
   D44       -1.97094  -0.00002   0.00060  -0.00024   0.00036  -1.97057
   D45        2.45983   0.00000  -0.00422  -0.00086  -0.00508   2.45475
   D46       -0.79693   0.00000   0.00253   0.00028   0.00281  -0.79412
   D47        2.92986   0.00000  -0.00280  -0.00036  -0.00316   2.92670
   D48       -0.32690   0.00000   0.00395   0.00079   0.00473  -0.32217
   D49        2.83424   0.00000  -0.00500  -0.00091  -0.00591   2.82833
   D50       -0.42253   0.00000   0.00175   0.00023   0.00198  -0.42054
   D51        2.03173  -0.00001  -0.00392  -0.00070  -0.00462   2.02711
   D52       -1.22503  -0.00001   0.00283   0.00044   0.00328  -1.22176
   D53        1.16164  -0.00001  -0.00288  -0.00042  -0.00330   1.15835
   D54       -2.09512  -0.00001   0.00387   0.00073   0.00460  -2.09052
   D55        1.02578   0.00001  -0.00397  -0.00068  -0.00465   1.02113
   D56       -2.23098   0.00001   0.00278   0.00047   0.00325  -2.22773
   D57        2.01909  -0.00001  -0.00439  -0.00079  -0.00518   2.01391
   D58       -1.23767  -0.00001   0.00236   0.00035   0.00271  -1.23496
   D59        1.83755  -0.00002  -0.00500  -0.00097  -0.00597   1.83158
   D60       -1.41921  -0.00002   0.00174   0.00017   0.00192  -1.41729
   D61       -2.31180   0.00001  -0.00244  -0.00027  -0.00271  -2.31451
   D62        0.71463   0.00001   0.00431   0.00088   0.00519   0.71981
   D63       -2.44107   0.00001  -0.00301  -0.00038  -0.00339  -2.44445
   D64        0.58536   0.00001   0.00374   0.00076   0.00451   0.58986
   D65       -2.84206   0.00001  -0.00323  -0.00040  -0.00363  -2.84569
   D66        0.18437   0.00001   0.00351   0.00074   0.00426   0.18862
   D67       -3.01856   0.00001  -0.00346  -0.00044  -0.00391  -3.02247
   D68        0.00786   0.00001   0.00328   0.00070   0.00398   0.01184
   D69       -2.16090   0.00000  -0.00362  -0.00052  -0.00414  -2.16503
   D70        0.86552   0.00001   0.00313   0.00062   0.00376   0.86928
   D71       -0.21236   0.00002  -0.00253  -0.00017  -0.00271  -0.21506
   D72        2.81407   0.00002   0.00421   0.00097   0.00519   2.81925
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   D77       -1.14303  -0.00001  -0.00240  -0.00017  -0.00257  -1.14560
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   D87        0.31378   0.00000  -0.00041  -0.00052  -0.00093   0.31285
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   D288       1.31215   0.00000   0.00051  -0.00003   0.00048   1.31263
   D289      -2.90511   0.00000  -0.00047  -0.00017  -0.00064  -2.90575
   D290       1.21965  -0.00001  -0.00179  -0.00049  -0.00228   1.21737
   D291      -2.99761  -0.00001  -0.00277  -0.00063  -0.00340  -3.00101
   D292       2.02875   0.00000  -0.00012  -0.00026  -0.00038   2.02837
   D293      -2.18850   0.00000  -0.00110  -0.00040  -0.00150  -2.19000
   D294       2.01366   0.00000  -0.00083  -0.00057  -0.00141   2.01226
   D295      -2.20359   0.00000  -0.00182  -0.00071  -0.00253  -2.20612
   D296      -2.31437   0.00000  -0.00049  -0.00028  -0.00077  -2.31514
   D297      -0.24844   0.00000  -0.00147  -0.00042  -0.00189  -0.25033
   D298      -2.30207   0.00000  -0.00008  -0.00017  -0.00025  -2.30232
   D299      -0.23614   0.00000  -0.00106  -0.00031  -0.00137  -0.23751
   D300      -1.91927   0.00000   0.00014  -0.00010   0.00004  -1.91923
   D301       0.14666   0.00000  -0.00085  -0.00024  -0.00108   0.14557
   D302      -1.86844   0.00000   0.00082   0.00010   0.00093  -1.86751
   D303       0.19749   0.00000  -0.00016  -0.00004  -0.00020   0.19729
   D304      -2.65311   0.00001  -0.00002  -0.00017  -0.00019  -2.65330
   D305      -0.58718   0.00001  -0.00100  -0.00031  -0.00131  -0.58850
   D306      -2.79160   0.00002   0.00051  -0.00001   0.00050  -2.79111
   D307      -0.72567   0.00002  -0.00047  -0.00015  -0.00063  -0.72630
   D308       1.52321  -0.00001  -0.00128  -0.00039  -0.00168   1.52153
   D309      -2.69404   0.00000  -0.00227  -0.00053  -0.00280  -2.69684
   D310       2.62290   0.00000  -0.00081  -0.00036  -0.00117   2.62173
   D311      -1.59435   0.00000  -0.00179  -0.00050  -0.00229  -1.59664
   D312       3.00631   0.00000  -0.00072  -0.00035  -0.00107   3.00524
   D313      -1.21095   0.00000  -0.00170  -0.00049  -0.00219  -1.21314
   D314      -0.39925   0.00000  -0.00036   0.00013  -0.00023  -0.39948
   D315       1.66668   0.00000  -0.00134  -0.00001  -0.00136   1.66532
   D316      -0.27520   0.00001   0.00005   0.00021   0.00026  -0.27494
   D317       1.79073   0.00001  -0.00093   0.00007  -0.00086   1.78987
   D318       0.14256   0.00001  -0.00031   0.00007  -0.00024   0.14232
   D319       2.20849   0.00001  -0.00129  -0.00007  -0.00136   2.20713
   D320       0.27915  -0.00001  -0.00030   0.00042   0.00012   0.27927
   D321       2.34508  -0.00001  -0.00128   0.00028  -0.00100   2.34407
   D322      -0.55520   0.00001   0.00070   0.00023   0.00093  -0.55426
   D323       1.51073   0.00002  -0.00029   0.00009  -0.00019   1.51054
   D324      -0.60106   0.00003   0.00232   0.00058   0.00290  -0.59816
   D325       1.46487   0.00003   0.00134   0.00044   0.00178   1.46665
   D326      -0.00919   0.00001   0.00411   0.00088   0.00498  -0.00421
   D327       2.17975   0.00001   0.00407   0.00026   0.00432   2.18408
   D328       0.31769   0.00001   0.00345   0.00069   0.00413   0.32182
   D329       2.50663   0.00001   0.00341   0.00007   0.00347   2.51010
   D330       0.67754   0.00000   0.00282   0.00058   0.00340   0.68094
   D331       2.86649   0.00000   0.00278  -0.00003   0.00274   2.86923
   D332       0.95836   0.00000   0.00221   0.00041   0.00263   0.96100
   D333      -3.13588   0.00000   0.00217  -0.00020   0.00197  -3.13391
   D334       0.30152  -0.00001   0.00195   0.00034   0.00228   0.30381
   D335       2.49047  -0.00001   0.00191  -0.00028   0.00162   2.49209
   D336       0.67817  -0.00002   0.00255   0.00039   0.00294   0.68112
   D337       2.86712  -0.00002   0.00251  -0.00022   0.00228   2.86940
   D338      -2.41619   0.00002   0.00414   0.00099   0.00513  -2.41106
   D339      -0.22725   0.00002   0.00410   0.00037   0.00447  -0.22278
   D340      -2.02341   0.00001   0.00383   0.00097   0.00480  -2.01861
   D341       0.16553   0.00001   0.00379   0.00035   0.00414   0.16967
   D342      -1.96828   0.00000   0.00287   0.00064   0.00351  -1.96477
   D343       0.22066   0.00000   0.00283   0.00002   0.00285   0.22351
   D344      -1.67600   0.00000   0.00250   0.00051   0.00302  -1.67297
   D345       0.51295   0.00000   0.00246  -0.00010   0.00236   0.51531
   D346      -1.64197   0.00001   0.00420   0.00118   0.00538  -1.63659
   D347       0.54698   0.00001   0.00416   0.00056   0.00472   0.55170
   D348      -1.33038   0.00000   0.00380   0.00105   0.00485  -1.32552
   D349       0.85857   0.00001   0.00376   0.00043   0.00419   0.86276
   D350       1.75098   0.00000   0.00228   0.00030   0.00260   1.75358
   D351      -2.34326   0.00000   0.00224  -0.00031   0.00194  -2.34132
   D352       2.16189   0.00000   0.00248   0.00020   0.00269   2.16459
   D353      -1.93235   0.00000   0.00244  -0.00042   0.00203  -1.93032
   D354       2.34804   0.00000   0.00212  -0.00029   0.00184   2.34988
   D355      -1.74620   0.00000   0.00208  -0.00090   0.00118  -1.74502
   D356       2.97493   0.00002   0.00330   0.00010   0.00336   2.97829
   D357      -1.11931   0.00002   0.00326  -0.00052   0.00270  -1.11661
   D358       2.50643   0.00000   0.00290   0.00044   0.00334   2.50977
   D359      -1.58781   0.00001   0.00286  -0.00018   0.00268  -1.58513
   D360       1.60705   0.00001   0.00314   0.00064   0.00378   1.61083
   D361      -2.48719   0.00001   0.00310   0.00002   0.00312  -2.48408
   D362       1.75485   0.00003   0.00260  -0.00003   0.00256   1.75741
   D363      -2.33940   0.00003   0.00256  -0.00065   0.00190  -2.33750
   D364       2.73727  -0.00003   0.00134   0.00029   0.00163   2.73891
   D365      -1.35697  -0.00003   0.00130  -0.00032   0.00097  -1.35600
   D366       2.70404  -0.00003   0.00035   0.00003   0.00038   2.70442
   D367      -1.39020  -0.00003   0.00030  -0.00058  -0.00028  -1.39048
   D368       0.03641  -0.00001   0.00086   0.00056   0.00141   0.03782
   D369      -2.72392   0.00000   0.00259  -0.00063   0.00195  -2.72197
   D370       0.43377   0.00000   0.00097   0.00058   0.00154   0.43531
   D371      -2.32656   0.00000   0.00270  -0.00061   0.00209  -2.32448
   D372       0.62032  -0.00001   0.00123   0.00077   0.00200   0.62232
   D373      -2.14001   0.00000   0.00296  -0.00042   0.00254  -2.13747
   D374       0.89078  -0.00001  -0.00071   0.00038  -0.00035   0.89043
   D375      -1.86956  -0.00001   0.00102  -0.00081   0.00020  -1.86936
   D376       0.70510  -0.00001   0.00020   0.00036   0.00055   0.70565
   D377      -2.05523   0.00000   0.00193  -0.00083   0.00110  -2.05414
   D378       1.03628   0.00000   0.00059   0.00040   0.00098   1.03726
   D379      -1.72406   0.00000   0.00232  -0.00079   0.00152  -1.72253
   D380      -2.83037  -0.00001   0.00174   0.00082   0.00256  -2.82781
   D381       0.69248   0.00000   0.00347  -0.00037   0.00310   0.69558
   D382      -2.27502   0.00000   0.00243   0.00126   0.00369  -2.27133
   D383       1.24783   0.00000   0.00416   0.00007   0.00424   1.25207
   D384      -1.99099   0.00000   0.00113   0.00092   0.00204  -1.98894
   D385       1.53186   0.00000   0.00286  -0.00027   0.00259   1.53445
   D386      -1.64569   0.00000   0.00069   0.00085   0.00154  -1.64416
   D387       1.87716   0.00001   0.00242  -0.00034   0.00208   1.87924
   D388      -1.75630   0.00001   0.00426   0.00229   0.00655  -1.74975
   D389       1.76655   0.00001   0.00599   0.00111   0.00710   1.77365
   D390      -1.06966  -0.00001   0.00118   0.00143   0.00260  -1.06706
   D391       2.45319   0.00000   0.00291   0.00024   0.00314   2.45633
   D392       1.77545   0.00000   0.00046   0.00067   0.00112   1.77657
   D393      -0.98489   0.00001   0.00219  -0.00052   0.00167  -0.98322
   D394       2.07542   0.00000   0.00055   0.00057   0.00112   2.07654
   D395      -0.68491   0.00000   0.00228  -0.00062   0.00166  -0.68325
   D396       2.02093  -0.00001   0.00029   0.00036   0.00065   2.02158
   D397      -0.73940   0.00000   0.00202  -0.00083   0.00119  -0.73821
   D398       2.21398  -0.00001   0.00011   0.00020   0.00031   2.21429
   D399      -0.54635  -0.00001   0.00184  -0.00099   0.00085  -0.54550
   D400       2.47779   0.00000   0.00057   0.00060   0.00117   2.47895
   D401      -0.28255   0.00000   0.00230  -0.00059   0.00171  -0.28084
   D402      -1.49571   0.00001   0.00121   0.00097   0.00217  -1.49354
   D403       2.02714   0.00002   0.00294  -0.00022   0.00271   2.02985
   D404      -2.59927   0.00000   0.00065   0.00081   0.00147  -2.59780
   D405       0.92359   0.00001   0.00238  -0.00038   0.00201   0.92560
   D406      -2.96986  -0.00002  -0.00041   0.00055   0.00016  -2.96971
   D407       0.55299  -0.00001   0.00132  -0.00064   0.00070   0.55369
   D408       1.85017   0.00002   0.00390   0.00053   0.00442   1.85459
   D409       2.35093   0.00001   0.00298   0.00014   0.00312   2.35405
   D410       2.57030   0.00000   0.00295   0.00030   0.00325   2.57356
   D411       2.80294  -0.00001   0.00082  -0.00015   0.00067   2.80361
   D412       2.79293  -0.00001   0.00114  -0.00066   0.00050   2.79343
   D413      -3.00768  -0.00001   0.00116  -0.00074   0.00043  -3.00725
   D414      -0.81578   0.00001   0.00326   0.00044   0.00370  -0.81208
   D415      -0.43953   0.00001   0.00357   0.00059   0.00416  -0.43537
   D416      -0.12181   0.00000   0.00292   0.00040   0.00331  -0.11850
   D417       0.18551   0.00000   0.00302   0.00047   0.00349   0.18900
   D418      -0.31563   0.00001   0.00451   0.00094   0.00545  -0.31019
   D419      -0.00583   0.00002   0.00555   0.00132   0.00688   0.00105
   D420      -2.61364   0.00000   0.00201   0.00015   0.00215  -2.61148
   D421      -2.23259   0.00000   0.00229   0.00016   0.00245  -2.23014
   D422      -1.99040  -0.00001   0.00187  -0.00005   0.00182  -1.98858
   D423      -1.67613  -0.00001   0.00196  -0.00003   0.00193  -1.67421
   D424      -2.01604   0.00001   0.00292   0.00037   0.00329  -2.01275
   D425       1.35398  -0.00003   0.00125   0.00016   0.00141   1.35539
   D426       2.49265   0.00001   0.00237   0.00035   0.00273   2.49538
   D427       2.94683   0.00003   0.00231  -0.00004   0.00226   2.94909
   D428      -3.06732   0.00005   0.00017   0.00051   0.00067  -3.06665
   D429       0.02300   0.00004   0.00121   0.00040   0.00161   0.02461
   D430       0.04423   0.00002  -0.00016   0.00069   0.00053   0.04476
   D431       3.13455   0.00002   0.00088   0.00059   0.00147   3.13602
   D432      -0.07921  -0.00003  -0.00698  -0.00222  -0.00920  -0.08841
   D433       2.01858  -0.00003  -0.00723  -0.00211  -0.00935   2.00924
   D434      -2.17743  -0.00002  -0.00623  -0.00221  -0.00845  -2.18588
   D435       3.11106  -0.00002  -0.00793  -0.00212  -0.01005   3.10101
   D436      -1.07433  -0.00002  -0.00818  -0.00201  -0.01020  -1.08452
   D437       1.01284  -0.00002  -0.00718  -0.00211  -0.00930   1.00354
   D438      -2.34054   0.00000  -0.00231  -0.00086  -0.00317  -2.34371
   D439      -0.24849  -0.00003  -0.00287  -0.00092  -0.00379  -0.25228
   D440       1.85950   0.00000  -0.00298  -0.00087  -0.00384   1.85565
   D441       0.75225  -0.00001  -0.00136  -0.00095  -0.00231   0.74994
   D442       2.84430  -0.00004  -0.00191  -0.00101  -0.00293   2.84137
   D443      -1.33090  -0.00001  -0.00202  -0.00096  -0.00298  -1.33388
   D444      -0.00685  -0.00002  -0.00069   0.00010  -0.00059  -0.00743
   D445       3.11957  -0.00002  -0.00042  -0.00016  -0.00058   3.11898
   D446      -3.12741  -0.00002  -0.00082   0.00022  -0.00060  -3.12801
   D447      -0.00100  -0.00002  -0.00055  -0.00005  -0.00060  -0.00159
   D448       2.43303   0.00001   0.00001  -0.00047  -0.00046   2.43257
   D449      -1.76484   0.00001  -0.00001  -0.00045  -0.00045  -1.76529
   D450       0.34272   0.00002  -0.00011  -0.00046  -0.00058   0.34214
   D451      -0.69411   0.00001  -0.00025  -0.00022  -0.00046  -0.69457
   D452       1.39121   0.00001  -0.00027  -0.00019  -0.00046   1.39075
   D453      -2.78442   0.00002  -0.00037  -0.00021  -0.00058  -2.78501
   D454       2.06860  -0.00001  -0.00111  -0.00013  -0.00124   2.06736
   D455      -2.12957   0.00000  -0.00104  -0.00018  -0.00122  -2.13079
   D456      -0.03581  -0.00001  -0.00111  -0.00020  -0.00131  -0.03712
   D457      -1.08745  -0.00001  -0.00086  -0.00038  -0.00124  -1.08869
   D458       0.99757  -0.00001  -0.00078  -0.00043  -0.00121   0.99635
   D459       3.09132  -0.00001  -0.00086  -0.00045  -0.00131   3.09002
   D460      -3.07912   0.00001  -0.00030   0.00026  -0.00005  -3.07917
   D461      -0.03177   0.00001   0.00110  -0.00001   0.00109  -0.03068
   D462       0.07636   0.00001  -0.00016   0.00011  -0.00005   0.07631
   D463       3.12372   0.00001   0.00125  -0.00015   0.00109   3.12481
   D464       1.92890   0.00002   0.00217   0.00010   0.00227   1.93117
   D465      -2.27120   0.00001   0.00213   0.00007   0.00220  -2.26900
   D466      -0.17811   0.00001   0.00252   0.00003   0.00256  -0.17556
   D467      -1.12231   0.00002   0.00078   0.00035   0.00113  -1.12118
   D468       0.96077   0.00000   0.00074   0.00032   0.00106   0.96183
   D469       3.05386   0.00001   0.00113   0.00028   0.00142   3.05528
   D470      -1.64064   0.00001  -0.00444  -0.00089  -0.00533  -1.64597
   D471       0.46373   0.00003  -0.00418  -0.00091  -0.00508   0.45865
   D472       2.55621   0.00001  -0.00421  -0.00078  -0.00499   2.55123
   D473       1.41093   0.00001  -0.00307  -0.00115  -0.00422   1.40671
   D474      -2.76789   0.00003  -0.00281  -0.00116  -0.00396  -2.77185
   D475      -0.67541   0.00001  -0.00284  -0.00103  -0.00387  -0.67927
   D476       0.01241   0.00001   0.00361  -0.00028   0.00333   0.01574
   D477      -3.11157   0.00005   0.00651   0.00095   0.00748  -3.10409
   D478       3.13106  -0.00007   0.00490  -0.00072   0.00417   3.13523
   D479       0.00708  -0.00003   0.00779   0.00051   0.00832   0.01540
   D480      -0.31077   0.00004   0.00826   0.00377   0.01203  -0.29874
   D481       1.79579   0.00006   0.00833   0.00406   0.01239   1.80819
   D482      -2.40123   0.00002   0.00607   0.00383   0.00990  -2.39134
   D483       2.81400   0.00001   0.00551   0.00259   0.00810   2.82211
   D484      -1.36261   0.00002   0.00558   0.00289   0.00846  -1.35415
   D485       0.72354  -0.00002   0.00331   0.00265   0.00597   0.72951
   D486       0.03824  -0.00004  -0.00233  -0.00018  -0.00251   0.03573
   D487       2.12934  -0.00002  -0.00056  -0.00069  -0.00126   2.12808
   D488      -2.06738  -0.00003  -0.00223  -0.00044  -0.00267  -2.07005
   D489      -3.08655  -0.00001   0.00040   0.00100   0.00140  -3.08515
   D490      -0.99545   0.00001   0.00217   0.00049   0.00265  -0.99280
   D491       1.09101   0.00000   0.00050   0.00074   0.00124   1.09226
         Item               Value     Threshold  Converged?
 Maximum Force            0.000070     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.029273     0.001800     NO 
 RMS     Displacement     0.003076     0.001200     NO 
 Predicted change in Energy=-5.128915D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:24:28 2016, MaxMem=  2952790016 cpu:         8.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.863022   -0.605449    1.686459
      2          6           0       -2.124057    1.030166   -1.397429
      3          8           0       -2.621279    0.038196   -1.957588
      4          7           0       -0.845403    1.123243   -0.939818
      5          1           0       -2.714755    1.945268   -1.190861
      6          6           0       -0.376650    2.301573   -0.209376
      7          1           0       -1.167481    3.064464   -0.194979
      8          1           0       -0.118458    2.023914    0.825332
      9          1           0        0.520149    2.714557   -0.699216
     10          6           0        0.112508    0.026768   -1.097844
     11          1           0        0.643911   -0.131063   -0.146542
     12          1           0       -0.425574   -0.889524   -1.373358
     13          1           0        0.852149    0.272024   -1.877821
     14          6           0       -1.980924   -4.033845    2.622003
     15          8           0       -2.138129   -3.888327    3.846248
     16          7           0       -2.900851   -3.732914    1.665518
     17          1           0       -1.033945   -4.416311    2.192375
     18          6           0       -4.219637   -3.195234    2.009076
     19          1           0       -4.482826   -2.407045    1.285982
     20          1           0       -4.986224   -3.986796    1.965166
     21          1           0       -4.188564   -2.771012    3.021141
     22          6           0       -2.616231   -3.912290    0.241558
     23          1           0       -3.315103   -4.643072   -0.197529
     24          1           0       -2.736562   -2.951556   -0.286236
     25          1           0       -1.584730   -4.268851    0.112714
     26          6           0        1.527655    0.372982    2.614227
     27          8           0        1.362826    1.390748    3.307784
     28          7           0        1.147446   -0.887688    2.958488
     29          1           0        2.003845    0.413183    1.614718
     30          6           0        1.452554   -2.039538    2.109393
     31          1           0        2.203245   -2.685475    2.595100
     32          1           0        0.538593   -2.632165    1.944556
     33          1           0        1.838052   -1.691640    1.141362
     34          6           0        0.516068   -1.165143    4.251008
     35          1           0        1.269273   -1.479645    4.993629
     36          1           0        0.007647   -0.260470    4.607687
     37          1           0       -0.215426   -1.976661    4.124961
     38          6           0       -4.567639    1.336602    2.908686
     39          8           0       -4.796768    2.014762    1.892971
     40          7           0       -3.463840    1.438693    3.698533
     41          1           0       -5.262709    0.545475    3.256190
     42          6           0       -2.406223    2.413714    3.421888
     43          1           0       -2.501764    2.770892    2.388579
     44          1           0       -2.477938    3.267128    4.116968
     45          1           0       -1.425811    1.931710    3.556528
     46          6           0       -3.262610    0.560644    4.851401
     47          1           0       -4.091279   -0.158184    4.917607
     48          1           0       -2.314002    0.009743    4.738973
     49          1           0       -3.214739    1.153579    5.779686
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.500534   0.000000
     3  O    3.777342   1.242985   0.000000
     4  N    3.304732   1.361260   2.316661   0.000000
     5  H    3.938348   1.108606   2.057555   2.057481   0.000000
     6  C    3.775482   2.466045   3.635585   1.463467   2.560665
     7  H    4.182326   2.549371   3.791915   2.104010   2.153704
     8  H    3.270871   3.154462   4.236960   2.110784   3.288157
     9  H    4.732165   3.211931   4.314508   2.110663   3.361269
    10  C    3.471997   2.469572   2.865813   1.464522   3.417999
    11  H    3.141600   3.251895   3.737647   2.102529   4.084409
    12  H    3.392556   2.563325   2.454202   2.101296   3.648247
    13  H    4.565765   3.108595   3.482203   2.118043   3.999308
    14  C    3.555705   6.466879   6.161512   6.369579   7.129252
    15  O    3.939245   7.189431   7.023925   7.049354   7.728894
    16  N    3.295233   5.715941   5.237015   5.881743   6.358875
    17  H    3.932682   6.613558   6.291618   6.366541   7.398723
    18  C    3.516348   5.818052   5.361366   6.223397   6.239313
    19  H    3.204606   4.957711   4.468255   5.536060   5.310693
    20  H    4.611461   6.683483   6.097665   7.190120   7.092916
    21  H    3.446619   6.183438   5.927544   6.483143   6.492794
    22  C    3.686496   5.230333   4.521350   5.466998   6.030963
    23  H    4.686187   5.919796   5.049106   6.316709   6.689795
    24  H    3.187290   4.178998   3.427146   4.539564   4.979730
    25  H    3.996827   5.536333   4.889912   5.543384   6.449150
    26  C    3.648941   5.464456   6.182817   4.338840   5.911753
    27  O    4.125481   5.867487   6.739929   4.794784   6.096882
    28  N    3.280340   5.775371   6.263254   4.817891   6.337140
    29  H    3.999427   5.147161   5.856087   3.892049   5.699451
    30  C    3.637104   5.874779   6.119921   4.957971   6.643556
    31  H    4.656894   6.962171   7.170871   6.024636   7.743644
    32  H    3.153085   5.627720   5.687033   4.933371   6.431797
    33  H    3.895496   5.436175   5.699251   4.410874   6.276498
    34  C    3.542631   6.610180   7.059578   5.833951   7.051724
    35  H    4.638196   7.658946   8.109233   6.815620   8.114828
    36  H    3.485970   6.501640   7.078368   5.780758   6.774948
    37  H    3.246703   6.571200   6.844354   5.971454   7.063012
    38  C    3.546879   4.960606   5.399518   5.358315   4.539817
    39  O    3.938911   4.351958   4.844210   4.942953   3.721509
    40  N    3.284750   5.284954   5.887530   5.335731   4.972316
    41  H    3.917468   5.634024   5.866683   6.119877   5.312980
    42  C    3.524504   5.021916   5.884565   4.808945   4.646729
    43  H    3.507228   4.184094   5.135278   4.066510   3.679594
    44  H    4.613279   5.961359   6.880899   5.729964   5.475075
    45  H    3.182057   5.083504   5.951472   4.605173   4.919275
    46  C    3.651777   6.369036   6.859051   6.300605   6.223043
    47  H    3.950378   6.720253   7.033332   6.818151   6.605506
    48  H    3.146377   6.223566   6.703668   5.970371   6.250584
    49  H    4.655730   7.260564   7.839750   7.125054   7.033156
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098919   0.000000
     8  H    1.101988   1.795613   0.000000
     9  H    1.102156   1.795768   1.791383   0.000000
    10  C    2.490660   3.417767   2.782184   2.747596   0.000000
    11  H    2.638790   3.673538   2.483883   2.901434   1.101034
    12  H    3.397109   4.192019   3.662879   3.786589   1.097739
    13  H    2.900470   3.835177   3.364259   2.732270   1.102534
    14  C    7.122353   7.680043   6.587355   7.926335   5.891375
    15  O    7.606954   8.100307   6.939711   8.445457   6.696072
    16  N    6.804546   7.257436   6.448930   7.672358   5.554432
    17  H    7.164524   7.853616   6.647061   7.850209   5.646313
    18  C    7.064344   7.304611   6.742435   8.045249   6.229104
    19  H    6.424006   6.566748   6.236450   7.429776   5.720417
    20  H    8.094466   8.304775   7.818120   9.073433   7.175500
    21  H    7.120256   7.315952   6.661731   8.130467   6.579729
    22  C    6.620510   7.138945   6.466697   7.391686   4.975559
    23  H    7.540739   8.001150   7.464147   8.312374   5.862295
    24  H    5.759380   6.217945   5.731087   6.548401   4.200753
    25  H    6.688323   7.351617   6.500513   7.338782   4.774768
    26  C    3.913894   4.732808   2.938607   4.180543   3.987729
    27  O    4.028125   4.633911   2.959337   4.303327   4.778420
    28  N    4.746537   5.560823   3.824957   5.171892   4.284992
    29  H    3.544021   4.512383   2.778805   3.584963   3.329334
    30  C    5.250516   6.182682   4.541865   5.599918   4.043726
    31  H    6.276272   7.225520   5.540825   6.545661   5.036396
    32  H    5.460665   6.319801   4.833576   5.964671   4.062964
    33  H    4.761843   5.782695   4.211075   4.953702   3.308243
    34  C    5.719273   6.363231   4.723131   6.289419   5.494882
    35  H    6.639121   7.314940   5.619201   7.110625   6.380708
    36  H    5.469537   5.958332   4.420466   6.105461   5.713720
    37  H    6.092270   6.706805   5.186671   6.769141   5.603478
    38  C    5.312049   4.917247   4.960642   6.387589   6.298549
    39  O    4.903016   4.316612   4.798595   5.956404   6.082606
    40  N    5.054410   4.803732   4.448522   6.069612   6.147279
    41  H    6.242403   5.918342   5.878619   7.334275   6.936832
    42  C    4.161468   3.878104   3.482516   5.063364   5.698202
    43  H    3.389062   2.922545   2.946501   4.320835   5.149737
    44  H    4.905605   4.511237   4.236460   5.699955   6.663679
    45  H    3.926776   3.927298   3.029374   4.744572   5.259127
    46  C    6.080383   6.010377   5.313763   7.053931   6.860756
    47  H    6.792261   6.713612   6.106682   7.814512   7.341095
    48  H    5.787225   5.915211   4.918728   6.702412   6.321130
    49  H    6.726180   6.598437   5.906780   7.639516   7.722739
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795589   0.000000
    13  H    1.789740   1.798959   0.000000
    14  C    5.457683   5.316839   6.842165   0.000000
    15  O    6.148101   6.258590   7.682138   1.242845   0.000000
    16  N    5.368634   4.842172   6.532977   1.360768   2.315487
    17  H    5.162275   5.052009   6.488785   1.107984   2.057494
    18  C    6.139213   5.581404   7.269997   2.467952   2.861513
    19  H    5.789270   5.082937   6.756405   3.269701   3.774488
    20  H    7.143137   6.445026   8.184906   3.076602   3.414647
    21  H    6.352666   6.083726   7.659549   2.574439   2.476587
    22  C    5.007676   4.067437   5.833516   2.466761   3.636337
    23  H    6.002884   4.880684   6.659395   3.178200   4.278673
    24  H    4.404803   3.282450   5.079710   3.193774   4.279379
    25  H    4.706946   3.869354   5.524505   2.551221   3.793458
    26  C    2.942264   4.616261   4.543677   5.632966   5.754529
    27  O    3.842541   5.505553   5.329431   6.409147   6.357300
    28  N    3.235312   4.608610   4.982170   4.449519   4.537285
    29  H    2.290777   4.065430   3.680239   6.055498   6.374846
    30  C    3.063564   4.120614   4.647761   4.003598   4.396327
    31  H    4.058713   5.087710   5.529854   4.396145   4.675441
    32  H    3.261793   3.869751   4.810738   2.961689   3.515567
    33  H    2.349483   3.477242   3.734093   4.718347   5.286951
    34  C    4.519304   5.709304   6.304042   4.137400   3.824176
    35  H    5.350805   6.615079   7.103461   4.765745   4.327658
    36  H    4.798362   6.029618   6.561902   4.704861   4.283164
    37  H    4.731853   5.608703   6.498438   3.099656   2.725607
    38  C    6.216809   6.359893   7.308767   5.967828   5.837929
    39  O    6.193962   6.181515   7.011867   6.711640   6.762404
    40  N    5.841435   6.354191   7.147350   5.771189   5.491491
    41  H    6.850143   6.847614   7.989013   5.669434   5.456168
    42  C    5.339748   6.150507   6.579570   6.510891   6.321999
    43  H    4.974280   5.644589   5.974550   6.828632   6.826583
    44  H    6.282608   7.185655   7.483156   7.469012   7.168632
    45  H    4.717151   5.767462   6.121749   6.063772   5.870619
    46  C    6.381129   6.992810   7.892843   5.265193   4.697673
    47  H    6.933135   7.317683   8.414297   4.974348   4.344717
    48  H    5.712910   6.460297   7.339978   4.576364   4.002854
    49  H    7.187466   7.944794   8.715166   6.196985   5.506186
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056683   0.000000
    18  C    1.465036   3.416615   0.000000
    19  H    2.098719   4.093101   1.101533   0.000000
    20  H    2.122034   3.982036   1.102793   1.791734   0.000000
    21  H    2.102660   3.653147   1.097819   1.797175   1.797074
    22  C    1.463163   2.561904   2.491827   2.615484   2.931423
    23  H    2.114459   3.311608   2.789897   2.926465   2.810799
    24  H    2.108756   3.344835   2.743601   2.412011   3.346865
    25  H    2.104899   2.156409   3.419295   3.638933   3.883464
    26  C    6.113109   5.447668   6.791888   6.754159   7.865085
    27  O    6.864976   6.380484   7.340420   7.258276   8.427991
    28  N    5.114273   4.218599   5.918761   6.066769   6.943563
    29  H    6.422518   5.734620   7.204715   7.080865   8.267024
    30  C    4.692194   3.440729   5.789598   6.003483   6.728334
    31  H    5.292735   3.692883   6.469675   6.818714   7.333398
    32  H    3.622055   2.391122   4.791864   5.069423   5.688502
    33  H    5.186399   4.095953   6.301533   6.362878   7.246871
    34  C    4.995352   4.148567   5.619113   5.943286   6.592573
    35  H    5.791673   4.666460   6.479116   6.906038   7.388413
    36  H    5.401258   4.918299   5.765029   5.983800   6.768100
    37  H    4.042869   3.218191   4.689946   5.143514   5.609444
    38  C    5.479383   6.789410   4.633350   4.081085   5.422546
    39  O    6.056568   7.457022   5.243149   4.474302   6.004981
    40  N    5.585305   6.515671   4.989867   4.652788   5.895604
    41  H    5.139380   6.605563   4.078750   3.634187   4.720664
    42  C    6.411749   7.074185   6.061749   5.666930   7.053011
    43  H    6.556034   7.338180   6.220110   5.652554   7.212362
    44  H    7.428933   8.051360   7.017039   6.650586   7.971270
    45  H    6.151392   6.504755   6.040333   5.772826   7.087854
    46  C    5.358672   6.066914   4.806384   4.796699   5.655122
    47  H    4.977137   5.908115   4.207101   4.289450   4.916920
    48  H    4.878320   5.264377   4.621219   4.740023   5.550415
    49  H    6.395523   6.974835   5.842901   5.871922   6.641699
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391287   0.000000
    23  H    3.824576   1.102390   0.000000
    24  H    3.616580   1.102749   1.789918   0.000000
    25  H    4.181199   1.098968   1.797354   1.794754   0.000000
    26  C    6.536470   6.415988   7.517918   6.135861   6.123000
    27  O    6.944087   7.304577   8.401026   6.969761   7.136359
    28  N    5.658961   5.540323   6.631568   5.465647   5.195717
    29  H    7.103735   6.476139   7.559178   6.116089   6.087309
    30  C    5.760951   4.852939   5.901766   4.911162   4.263996
    31  H    6.406564   5.501962   6.487152   5.724910   4.797716
    32  H    4.850189   3.806814   4.845952   3.975560   3.246981
    33  H    6.404586   5.057822   6.087577   4.955050   4.406310
    34  C    5.121031   5.782197   6.823734   5.861523   5.583174
    35  H    5.945278   6.602808   7.613928   6.788977   6.304628
    36  H    5.140831   6.267664   7.303286   6.222790   6.229572
    37  H    4.199433   4.958965   5.949930   5.173510   4.819466
    38  C    4.126600   6.202614   6.853752   5.652315   6.938033
    39  O    4.954423   6.527775   7.133883   5.801526   7.278069
    40  N    4.325009   6.426674   7.224216   5.973408   6.997515
    41  H    3.494012   5.996959   6.530113   5.582063   6.825445
    42  C    5.497156   7.083567   7.982761   6.530347   7.502143
    43  H    5.827360   7.020522   7.894071   6.321090   7.455099
    44  H    6.370730   8.159777   9.049143   7.624114   8.580375
    45  H    5.480423   6.823376   7.803213   6.350684   7.094510
    46  C    3.912438   6.455664   7.250732   6.245605   6.970972
    47  H    3.230002   6.175314   6.846991   6.059551   6.802011
    48  H    3.767961   5.974983   6.857110   5.848126   6.343538
    49  H    4.894928   7.529415   8.326964   7.340040   8.010883
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242592   0.000000
    28  N    1.361016   2.315095   0.000000
    29  H    1.107878   2.057428   2.057037   0.000000
    30  C    2.465918   3.634701   1.463151   2.562122   0.000000
    31  H    3.132244   4.222537   2.116318   3.256163   1.103034
    32  H    3.233824   4.326844   2.107596   3.395571   1.101682
    33  H    2.555062   3.797412   2.103620   2.163754   1.098511
    34  C    2.463369   2.852936   1.465001   3.413886   2.495613
    35  H    3.026638   3.330162   2.122982   3.942009   2.943788
    36  H    2.585646   2.500555   2.100573   3.660120   3.390327
    37  H    3.292639   3.807637   2.098557   4.115561   2.616988
    38  C    6.178015   5.944126   6.132874   6.761024   6.948375
    39  O    6.573733   6.350724   6.700241   6.992196   7.452396
    40  N    5.217900   4.842695   5.217632   5.940500   6.228515
    41  H    6.822822   6.679436   6.575156   7.450821   7.286439
    42  C    4.504697   3.907072   4.872634   5.168819   6.036908
    43  H    4.694370   4.205330   5.198726   5.143750   6.233364
    44  H    5.165180   4.350524   5.634535   5.873043   6.902161
    45  H    3.469946   2.851493   3.863718   4.223635   5.113707
    46  C    5.290255   4.946361   5.012922   6.183317   6.042543
    47  H    6.095909   5.893894   5.640440   6.956009   6.493045
    48  H    4.405089   4.180256   3.994638   5.344861   5.030029
    49  H    5.754976   5.207749   5.581629   6.717794   6.741711
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788049   0.000000
    33  H    1.798452   1.793962   0.000000
    34  C    2.810695   2.733566   3.419757   0.000000
    35  H    2.842406   3.340516   3.899796   1.103501   0.000000
    36  H    3.840809   3.605429   4.173013   1.097336   1.796396
    37  H    2.948366   2.398416   3.633163   1.099788   1.790514
    38  C    7.881644   6.538674   7.302503   5.822768   6.807920
    39  O    8.460815   7.075498   7.636961   6.625584   7.656488
    40  N    7.095223   5.972252   6.666946   4.787991   5.709320
    41  H    8.161896   6.743359   7.739379   6.108203   7.055961
    42  C    6.923330   6.026222   6.329976   4.694192   5.580133
    43  H    7.207754   6.215623   6.348524   5.297955   6.250926
    44  H    7.724186   6.972840   7.216050   5.350426   6.110808
    45  H    5.950865   5.223629   5.441920   3.720712   4.578873
    46  C    6.745647   5.752645   6.697307   4.197288   4.972019
    47  H    7.169537   6.032854   7.195031   4.762979   5.521554
    48  H    5.680309   4.788084   5.751266   3.102864   3.888828
    49  H    7.364406   6.567159   7.425632   4.651048   5.259098
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796691   0.000000
    38  C    5.135220   5.603462   0.000000
    39  O    5.968984   6.473169   1.242609   0.000000
    40  N    3.970509   4.732724   1.361122   2.317025   0.000000
    41  H    5.500249   5.708852   1.108946   2.057734   2.056558
    42  C    3.792644   4.956742   2.468859   2.865564   1.464839
    43  H    4.517825   5.548119   2.568178   2.466658   2.101505
    44  H    4.343142   5.711072   3.090910   3.448413   2.119024
    45  H    2.822302   4.130800   3.262657   3.760009   2.101617
    46  C    3.380563   4.031248   2.465634   3.635987   1.463068
    47  H    4.111898   4.354007   2.548934   3.790492   2.104718
    48  H    2.341005   2.954121   3.192082   4.275974   2.108683
    49  H    3.709027   4.640300   3.179069   4.283807   2.115310
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417204   0.000000
    43  H    3.650759   1.097467   0.000000
    44  H    3.987891   1.102993   1.798373   0.000000
    45  H    4.090676   1.100755   1.796109   1.790085   0.000000
    46  C    2.558382   2.492142   3.395523   2.912070   2.632555
    47  H    2.151206   3.419246   4.183542   3.869968   3.650330
    48  H    3.343729   2.742680   3.630916   3.320289   2.425081
    49  H    3.306357   2.793000   3.824087   2.788296   2.957732
                   46         47         48         49
    46  C    0.000000
    47  H    1.098994   0.000000
    48  H    1.102719   1.794108   0.000000
    49  H    1.102532   1.797839   1.789628   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2132561      0.1914475      0.1854669
 Leave Link  202 at Mon Nov 14 01:24:28 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.1960248630 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840461998 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.0119786631 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4044
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.21D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     224
 GePol: Fraction of low-weight points (<1% of avg)   =       5.54%
 GePol: Cavity surface area                          =    466.159 Ang**2
 GePol: Cavity volume                                =    458.305 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039864525 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.0079922107 Hartrees.
 Leave Link  301 at Mon Nov 14 01:24:29 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11970 LenP2D=   37514.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:24:30 2016, MaxMem=  2952790016 cpu:        15.2
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:24:30 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000307   -0.000498    0.001094
         Rot=    1.000000   -0.000047    0.000079   -0.000156 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50901667471    
 Leave Link  401 at Mon Nov 14 01:24:37 2016, MaxMem=  2952790016 cpu:        79.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49061808.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.07D-14 for   3015.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.12D-14 for   1886    981.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.05D-14 for   3015.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.64D-12 for   3296   3160.
 E= -1013.45102210574    
 DIIS: error= 2.87D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45102210574     IErMin= 1 ErrMin= 2.87D-04
 ErrMax= 2.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.94D-05 BMatP= 9.94D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.87D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=5.55D-05 MaxDP=2.43D-03              OVMax= 2.71D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.55D-05    CP:  1.00D+00
 E= -1013.45119898929     Delta-E=       -0.000176883547 Rises=F Damp=F
 DIIS: error= 3.56D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45119898929     IErMin= 2 ErrMin= 3.56D-05
 ErrMax= 3.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-06 BMatP= 9.94D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.160D-01 0.984D+00
 Coeff:      0.160D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.99D-06 MaxDP=4.13D-04 DE=-1.77D-04 OVMax= 4.70D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.63D-06    CP:  1.00D+00  9.55D-01
 E= -1013.45119770621     Delta-E=        0.000001283078 Rises=F Damp=F
 DIIS: error= 9.34D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45119898929     IErMin= 2 ErrMin= 3.56D-05
 ErrMax= 9.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-06 BMatP= 1.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.205D-02 0.603D+00 0.395D+00
 Coeff:      0.205D-02 0.603D+00 0.395D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.29D-06 MaxDP=3.71D-04 DE= 1.28D-06 OVMax= 5.52D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.90D-06    CP:  1.00D+00  9.68D-01  4.36D-01
 E= -1013.45119965293     Delta-E=       -0.000001946713 Rises=F Damp=F
 DIIS: error= 4.37D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45119965293     IErMin= 2 ErrMin= 3.56D-05
 ErrMax= 4.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.32D-07 BMatP= 1.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.751D-04 0.266D+00 0.315D+00 0.418D+00
 Coeff:     -0.751D-04 0.266D+00 0.315D+00 0.418D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.50D-06 MaxDP=1.44D-04 DE=-1.95D-06 OVMax= 2.21D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.00D-07    CP:  1.00D+00  9.70D-01  5.12D-01  4.29D-01
 E= -1013.45120032825     Delta-E=       -0.000000675320 Rises=F Damp=F
 DIIS: error= 9.10D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45120032825     IErMin= 5 ErrMin= 9.10D-06
 ErrMax= 9.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-08 BMatP= 8.32D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-04 0.155D+00 0.200D+00 0.290D+00 0.355D+00
 Coeff:     -0.167D-04 0.155D+00 0.200D+00 0.290D+00 0.355D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.18D-07 MaxDP=3.23D-05 DE=-6.75D-07 OVMax= 3.83D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.14D-07    CP:  1.00D+00  9.71D-01  5.03D-01  4.55D-01  5.68D-01
 E= -1013.45120036640     Delta-E=       -0.000000038155 Rises=F Damp=F
 DIIS: error= 5.21D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45120036640     IErMin= 6 ErrMin= 5.21D-07
 ErrMax= 5.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-10 BMatP= 4.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.160D-04 0.393D-01 0.529D-01 0.795D-01 0.129D+00 0.699D+00
 Coeff:     -0.160D-04 0.393D-01 0.529D-01 0.795D-01 0.129D+00 0.699D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.48D-08 MaxDP=3.27D-06 DE=-3.82D-08 OVMax= 4.61D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.21D-08    CP:  1.00D+00  9.71D-01  5.06D-01  4.57D-01  5.68D-01
                    CP:  8.95D-01
 E= -1013.45120036668     Delta-E=       -0.000000000281 Rises=F Damp=F
 DIIS: error= 2.62D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45120036668     IErMin= 7 ErrMin= 2.62D-07
 ErrMax= 2.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-11 BMatP= 2.91D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-04 0.116D-01 0.162D-01 0.247D-01 0.458D-01 0.350D+00
 Coeff-Com:  0.552D+00
 Coeff:     -0.103D-04 0.116D-01 0.162D-01 0.247D-01 0.458D-01 0.350D+00
 Coeff:      0.552D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.11D-08 MaxDP=1.24D-06 DE=-2.81D-10 OVMax= 1.50D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.70D-08    CP:  1.00D+00  9.71D-01  5.05D-01  4.57D-01  5.71D-01
                    CP:  8.94D-01  8.08D-01
 E= -1013.45120036670     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 7.31D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45120036670     IErMin= 8 ErrMin= 7.31D-08
 ErrMax= 7.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-12 BMatP= 3.98D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.330D-05 0.910D-03 0.148D-02 0.239D-02 0.636D-02 0.798D-01
 Coeff-Com:  0.257D+00 0.652D+00
 Coeff:     -0.330D-05 0.910D-03 0.148D-02 0.239D-02 0.636D-02 0.798D-01
 Coeff:      0.257D+00 0.652D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.74D-09 MaxDP=2.73D-07 DE=-1.96D-11 OVMax= 3.90D-07

 Error on total polarization charges =  0.04279
 SCF Done:  E(RB97D) =  -1013.45120037     A.U. after    8 cycles
            NFock=  8  Conv=0.67D-08     -V/T= 2.0213
 KE= 9.923519884327D+02 PE=-6.025439667473D+03 EE= 2.172628486463D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:26:14 2016, MaxMem=  2952790016 cpu:      1108.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11970 LenP2D=   37514.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     363
 Leave Link  701 at Mon Nov 14 01:26:22 2016, MaxMem=  2952790016 cpu:        96.2
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:26:23 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:26:59 2016, MaxMem=  2952790016 cpu:       441.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.35355041D+00-2.73483643D+00 3.33391441D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000173636   -0.000317428    0.000087076
      2        6          -0.000023810    0.000170807    0.000075952
      3        8           0.000009619   -0.000016366    0.000063053
      4        7           0.000006726    0.000091708    0.000002732
      5        1           0.000038669    0.000039658   -0.000031667
      6        6          -0.000044449   -0.000015996    0.000019527
      7        1           0.000048601    0.000040673    0.000018972
      8        1           0.000027254   -0.000020989    0.000034830
      9        1           0.000048721   -0.000009636    0.000060816
     10        6           0.000000085    0.000076851   -0.000034363
     11        1           0.000013298    0.000049082    0.000014977
     12        1          -0.000000111    0.000017530    0.000045519
     13        1           0.000020942    0.000017172    0.000016030
     14        6           0.000003900   -0.000029872   -0.000066121
     15        8          -0.000021793    0.000019430   -0.000020187
     16        7          -0.000024642   -0.000000160   -0.000045888
     17        1          -0.000019087   -0.000015165   -0.000025699
     18        6          -0.000047164   -0.000022825   -0.000026022
     19        1           0.000002423    0.000000720   -0.000065347
     20        1          -0.000012784    0.000010534   -0.000038326
     21        1           0.000017523    0.000046480   -0.000045899
     22        6          -0.000071189    0.000030678   -0.000035966
     23        1           0.000008904    0.000007146   -0.000035406
     24        1          -0.000087232    0.000024845   -0.000000480
     25        1           0.000007792    0.000036144   -0.000027056
     26        6           0.000001514   -0.000056109    0.000055500
     27        8           0.000001979   -0.000013524    0.000034417
     28        7          -0.000028614   -0.000021781    0.000007709
     29        1           0.000016918    0.000002042    0.000032842
     30        6           0.000016007    0.000079384    0.000025083
     31        1          -0.000040241   -0.000053397    0.000004796
     32        1           0.000021197    0.000014556    0.000011604
     33        1           0.000008160   -0.000004978    0.000009986
     34        6          -0.000010276   -0.000007944    0.000059611
     35        1          -0.000020469   -0.000012323    0.000013223
     36        1          -0.000059968   -0.000032359   -0.000040665
     37        1           0.000012339   -0.000042096    0.000004876
     38        6          -0.000141297   -0.000060331   -0.000106694
     39        8           0.000030490    0.000025729   -0.000008548
     40        7          -0.000067200    0.000154405   -0.000000128
     41        1           0.000103875   -0.000110773   -0.000064621
     42        6          -0.000033871    0.000084397    0.000012814
     43        1           0.000014315   -0.000059782   -0.000005458
     44        1           0.000080824   -0.000012190    0.000007592
     45        1           0.000053986   -0.000024880   -0.000011564
     46        6          -0.000025022    0.000037330    0.000128008
     47        1          -0.000009027   -0.000040116   -0.000073062
     48        1           0.000014713   -0.000056358   -0.000011990
     49        1          -0.000016163   -0.000019923   -0.000026389
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000317428 RMS     0.000054968
 Leave Link  716 at Mon Nov 14 01:27:00 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000126778 RMS     0.000015241
 Search for a local minimum.
 Step number  26 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15241D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20   21   22
                                                     23   24   25   26
 DE= -1.18D-05 DEPred=-5.13D-07 R= 2.30D+01
 TightC=F SS=  1.41D+00  RLast= 8.26D-02 DXNew= 2.2445D+00 2.4781D-01
 Trust test= 2.30D+01 RLast= 8.26D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  0
     Eigenvalues ---    0.00037   0.00070   0.00126   0.00215   0.00351
     Eigenvalues ---    0.00357   0.00438   0.00442   0.00609   0.00704
     Eigenvalues ---    0.00716   0.00758   0.00787   0.00895   0.00919
     Eigenvalues ---    0.00988   0.01026   0.01056   0.01139   0.01213
     Eigenvalues ---    0.01301   0.01314   0.01374   0.01426   0.01531
     Eigenvalues ---    0.01547   0.01624   0.01727   0.01783   0.01822
     Eigenvalues ---    0.01838   0.01880   0.01948   0.01999   0.02040
     Eigenvalues ---    0.02112   0.02207   0.02252   0.02413   0.02617
     Eigenvalues ---    0.02677   0.03048   0.03112   0.03561   0.03734
     Eigenvalues ---    0.04159   0.04391   0.04711   0.04966   0.05439
     Eigenvalues ---    0.05636   0.05773   0.06045   0.06239   0.06372
     Eigenvalues ---    0.06611   0.06950   0.07234   0.07367   0.07552
     Eigenvalues ---    0.07894   0.07926   0.08185   0.08270   0.08416
     Eigenvalues ---    0.08491   0.08568   0.08789   0.08816   0.08988
     Eigenvalues ---    0.09095   0.09160   0.09723   0.09818   0.09921
     Eigenvalues ---    0.10034   0.10055   0.10222   0.10294   0.10517
     Eigenvalues ---    0.10569   0.10608   0.10737   0.11197   0.11277
     Eigenvalues ---    0.11319   0.11607   0.11649   0.12299   0.13349
     Eigenvalues ---    0.13490   0.14195   0.14626   0.15214   0.15430
     Eigenvalues ---    0.15650   0.16429   0.22038   0.23264   0.23593
     Eigenvalues ---    0.24092   0.24500   0.25173   0.25881   0.26633
     Eigenvalues ---    0.27023   0.27852   0.28643   0.29313   0.29737
     Eigenvalues ---    0.29908   0.29988   0.32718   0.32733   0.32822
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33423   0.33453   0.33531   0.33688
     Eigenvalues ---    0.33792   0.33831   0.33832   0.33915   0.33933
     Eigenvalues ---    0.33999   0.34004   0.34146   0.37283   0.39321
     Eigenvalues ---    0.40603   0.41455   0.85938   0.85996   0.86095
     Eigenvalues ---    0.87321
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    26   25   24   23   22
 RFO step:  Lambda=-1.00217408D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  8.22D-06 SmlDif=  1.00D-05
 RMS Error=  0.1214469795D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    3.07334   -3.33224    0.61650    1.81059   -1.16820
 Iteration  1 RMS(Cart)=  0.00548386 RMS(Int)=  0.00005447
 Iteration  2 RMS(Cart)=  0.00003422 RMS(Int)=  0.00003005
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003005
 ITry= 1 IFail=0 DXMaxC= 4.84D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.61505  -0.00001  -0.00238  -0.00136  -0.00371   6.61134
    R2        6.24504   0.00001   0.00549   0.00104   0.00645   6.25149
    R3        7.13463   0.00003   0.02782   0.00468   0.03226   7.16689
    R4        6.18105   0.00000   0.02708   0.00428   0.03159   6.21264
    R5        6.56112  -0.00004  -0.00994  -0.00258  -0.01260   6.54852
    R6        5.93676   0.00000   0.00282   0.00002   0.00288   5.93964
    R7        6.71931  -0.00003  -0.00341  -0.00102  -0.00443   6.71488
    R8        6.22709   0.00001  -0.00105  -0.00006  -0.00112   6.22597
    R9        6.64493   0.00000   0.00275   0.00005   0.00278   6.64771
   R10        6.05583   0.00001   0.00192   0.00017   0.00210   6.05793
   R11        6.96647   0.00002  -0.00318  -0.00037  -0.00355   6.96292
   R12        6.02310   0.00001  -0.00110   0.00022  -0.00087   6.02223
   R13        6.89550   0.00000  -0.00420   0.00044  -0.00376   6.89174
   R14        6.19895   0.00001   0.00018  -0.00010   0.00007   6.19902
   R15        6.87313   0.00002  -0.00094  -0.00044  -0.00138   6.87175
   R16        5.95847   0.00001  -0.00119  -0.00042  -0.00161   5.95686
   R17        6.69460  -0.00002   0.00443  -0.00042   0.00399   6.69859
   R18        6.70263  -0.00010  -0.01235  -0.00211  -0.01449   6.68814
   R19        6.20728  -0.00002   0.00250   0.00121   0.00368   6.21095
   R20        6.66035   0.00002   0.00510   0.00178   0.00686   6.66720
   R21        6.01322   0.00001  -0.00711   0.00096  -0.00615   6.00706
   R22        6.90086  -0.00001   0.00111   0.00030   0.00136   6.90222
   R23        5.94579   0.00001   0.00562   0.00082   0.00646   5.95225
   R24        2.34890   0.00001   0.00018   0.00002   0.00020   2.34910
   R25        2.57241   0.00000  -0.00019   0.00000  -0.00019   2.57221
   R26        2.09496   0.00000  -0.00004  -0.00001  -0.00006   2.09490
   R27        2.76555  -0.00004  -0.00034   0.00015  -0.00008   2.76547
   R28        2.76755   0.00000   0.00003   0.00010   0.00019   2.76773
   R29        2.07666   0.00000   0.00014   0.00000   0.00014   2.07679
   R30        2.08245   0.00001  -0.00008   0.00004   0.00009   2.08255
   R31        2.08277   0.00000  -0.00012  -0.00001  -0.00013   2.08265
   R32        2.08065   0.00000  -0.00007   0.00000  -0.00005   2.08061
   R33        2.07443   0.00000   0.00002  -0.00001   0.00001   2.07444
   R34        2.08349   0.00000  -0.00001  -0.00003  -0.00004   2.08345
   R35        2.34864   0.00001   0.00006  -0.00001   0.00006   2.34869
   R36        2.57148   0.00000   0.00001   0.00003   0.00006   2.57154
   R37        2.09379   0.00000   0.00002   0.00000   0.00002   2.09380
   R38        2.76852   0.00000  -0.00020   0.00009  -0.00011   2.76840
   R39        2.76498  -0.00003   0.00005   0.00002   0.00010   2.76508
   R40        2.08160   0.00000  -0.00002   0.00002   0.00002   2.08162
   R41        2.08398   0.00000   0.00005  -0.00002   0.00003   2.08400
   R42        2.07458   0.00001  -0.00003   0.00001  -0.00002   2.07456
   R43        2.08322   0.00000   0.00002   0.00000   0.00001   2.08323
   R44        2.08389   0.00001   0.00005   0.00000   0.00000   2.08389
   R45        2.07675   0.00000   0.00002   0.00000   0.00002   2.07677
   R46        2.34816   0.00001  -0.00010   0.00003  -0.00008   2.34808
   R47        2.57195  -0.00001   0.00001   0.00011   0.00013   2.57208
   R48        2.09359   0.00000   0.00004  -0.00002   0.00002   2.09361
   R49        2.76495  -0.00003  -0.00001  -0.00003  -0.00003   2.76492
   R50        2.76845  -0.00001  -0.00018  -0.00003  -0.00020   2.76825
   R51        2.08443   0.00000   0.00000  -0.00001  -0.00001   2.08442
   R52        2.08188  -0.00001   0.00013  -0.00003   0.00013   2.08200
   R53        2.07588   0.00000  -0.00002   0.00001  -0.00001   2.07588
   R54        2.08532   0.00000  -0.00001   0.00001   0.00000   2.08532
   R55        2.07366   0.00000  -0.00006   0.00001  -0.00004   2.07362
   R56        2.07830   0.00000   0.00016   0.00001   0.00017   2.07847
   R57        2.34819   0.00001   0.00002   0.00002   0.00004   2.34823
   R58        2.57215   0.00006  -0.00003   0.00012   0.00016   2.57231
   R59        2.09561   0.00000  -0.00002   0.00002   0.00000   2.09561
   R60        2.76814   0.00004  -0.00027  -0.00010  -0.00031   2.76783
   R61        2.76480   0.00006  -0.00007  -0.00005  -0.00007   2.76473
   R62        2.07391   0.00000   0.00006  -0.00019  -0.00013   2.07378
   R63        2.08435  -0.00001   0.00007  -0.00002   0.00005   2.08440
   R64        2.08013   0.00003   0.00031   0.00008   0.00046   2.08059
   R65        2.07680   0.00001   0.00001  -0.00002  -0.00001   2.07679
   R66        2.08384   0.00003   0.00001   0.00012   0.00020   2.08404
   R67        2.08348  -0.00002   0.00007  -0.00003   0.00003   2.08352
    A1        0.68758  -0.00001  -0.00194  -0.00021  -0.00213   0.68544
    A2        0.96700  -0.00001  -0.00336  -0.00046  -0.00385   0.96315
    A3        0.72404   0.00000   0.00059   0.00026   0.00085   0.72489
    A4        1.01800   0.00001   0.00032   0.00020   0.00050   1.01851
    A5        2.31834   0.00002   0.00186   0.00055   0.00243   2.32077
    A6        1.99805   0.00001   0.00172   0.00049   0.00222   2.00027
    A7        1.95517   0.00001   0.00151   0.00035   0.00187   1.95704
    A8        1.66255   0.00000   0.00171   0.00029   0.00200   1.66455
    A9        1.62943   0.00002   0.00150   0.00049   0.00199   1.63142
   A10        1.34717   0.00002   0.00144   0.00049   0.00195   1.34912
   A11        1.73959   0.00001  -0.00112  -0.00005  -0.00121   1.73839
   A12        2.03785   0.00001  -0.00019   0.00012  -0.00009   2.03776
   A13        1.93334   0.00002   0.00094   0.00042   0.00135   1.93469
   A14        2.01445   0.00002   0.00168   0.00055   0.00222   2.01667
   A15        2.43665   0.00000  -0.00086   0.00000  -0.00089   2.43576
   A16        1.56168  -0.00003  -0.00369  -0.00069  -0.00437   1.55731
   A17        1.78496  -0.00003  -0.00452  -0.00089  -0.00542   1.77954
   A18        1.59284  -0.00003  -0.00426  -0.00103  -0.00532   1.58752
   A19        1.72687  -0.00002  -0.00535  -0.00132  -0.00671   1.72015
   A20        2.19660  -0.00002  -0.00453  -0.00090  -0.00545   2.19115
   A21        2.42287  -0.00002  -0.00649  -0.00133  -0.00786   2.41501
   A22        0.65350  -0.00001  -0.00163  -0.00021  -0.00185   0.65165
   A23        0.66262   0.00000  -0.00051  -0.00007  -0.00057   0.66204
   A24        2.37990   0.00001   0.00053   0.00017   0.00070   2.38060
   A25        2.19987   0.00001   0.00083   0.00025   0.00108   2.20095
   A26        2.29768   0.00001   0.00105   0.00027   0.00131   2.29898
   A27        2.03365   0.00000   0.00144   0.00024   0.00167   2.03532
   A28        1.79329   0.00002   0.00058   0.00022   0.00079   1.79408
   A29        1.54837   0.00002   0.00097   0.00035   0.00132   1.54969
   A30        1.34453   0.00001  -0.00088  -0.00003  -0.00091   1.34362
   A31        1.64143   0.00001  -0.00050  -0.00001  -0.00051   1.64092
   A32        1.58876   0.00001  -0.00026   0.00005  -0.00021   1.58855
   A33        1.73832   0.00001  -0.00004   0.00005   0.00002   1.73834
   A34        2.03884   0.00000  -0.00075  -0.00001  -0.00076   2.03808
   A35        1.79491  -0.00002  -0.00170  -0.00004  -0.00175   1.79316
   A36        1.88739  -0.00003  -0.00258  -0.00024  -0.00282   1.88457
   A37        1.56146  -0.00003  -0.00216  -0.00027  -0.00243   1.55903
   A38        1.57845  -0.00002  -0.00330  -0.00062  -0.00393   1.57451
   A39        2.26495  -0.00002  -0.00300  -0.00034  -0.00336   2.26159
   A40        2.36435  -0.00001  -0.00543  -0.00091  -0.00636   2.35800
   A41        0.69681  -0.00001  -0.00140  -0.00028  -0.00169   0.69512
   A42        0.76207  -0.00001  -0.00289  -0.00071  -0.00359   0.75848
   A43        2.66286   0.00000  -0.00175  -0.00045  -0.00220   2.66066
   A44        2.58978   0.00000  -0.00147  -0.00015  -0.00162   2.58815
   A45        2.64038   0.00000  -0.00014   0.00022   0.00007   2.64045
   A46        2.33500   0.00000   0.00036   0.00026   0.00062   2.33563
   A47        2.18255   0.00001  -0.00169  -0.00017  -0.00187   2.18068
   A48        1.94322   0.00001  -0.00119   0.00001  -0.00116   1.94206
   A49        1.11005   0.00000  -0.00131  -0.00040  -0.00170   1.10836
   A50        1.47029   0.00000  -0.00130  -0.00047  -0.00177   1.46852
   A51        1.57390   0.00000  -0.00206  -0.00059  -0.00264   1.57126
   A52        1.80921  -0.00001  -0.00225  -0.00063  -0.00287   1.80634
   A53        1.79340   0.00000  -0.00068  -0.00031  -0.00098   1.79241
   A54        1.62247   0.00000   0.00139   0.00082   0.00220   1.62467
   A55        1.59109  -0.00001   0.00041   0.00049   0.00090   1.59199
   A56        1.21146  -0.00001   0.00073   0.00042   0.00116   1.21262
   A57        1.18865  -0.00001  -0.00082  -0.00015  -0.00096   1.18769
   A58        1.91794   0.00000  -0.00025   0.00025  -0.00002   1.91793
   A59        1.97474   0.00000  -0.00304  -0.00049  -0.00355   1.97119
   A60        0.84867  -0.00001   0.00165   0.00027   0.00187   0.85054
   A61        0.79455  -0.00001   0.00094  -0.00006   0.00086   0.79541
   A62        2.61009   0.00000   0.00359   0.00031   0.00387   2.61396
   A63        2.76319   0.00000   0.00233   0.00034   0.00260   2.76579
   A64        2.59646   0.00000  -0.00266  -0.00023  -0.00290   2.59356
   A65        2.38455   0.00001   0.00117   0.00023   0.00134   2.38589
   A66        2.18334   0.00001   0.00063   0.00029   0.00087   2.18421
   A67        0.87079   0.00000   0.00185   0.00009   0.00192   0.87270
   A68        1.24693   0.00000   0.00219   0.00007   0.00224   1.24917
   A69        1.43171  -0.00001   0.00220   0.00006   0.00224   1.43395
   A70        1.70319  -0.00001   0.00220   0.00004   0.00222   1.70541
   A71        1.53019   0.00000   0.00195   0.00011   0.00205   1.53223
   A72        1.62811   0.00001  -0.00240   0.00028  -0.00209   1.62602
   A73        1.49165  -0.00001  -0.00284   0.00004  -0.00277   1.48889
   A74        1.07381  -0.00001  -0.00222   0.00012  -0.00207   1.07174
   A75        0.97700   0.00000  -0.00246  -0.00025  -0.00270   0.97430
   A76        1.74761   0.00000  -0.00269  -0.00011  -0.00278   1.74483
   A77        1.74639   0.00000  -0.00441  -0.00068  -0.00508   1.74130
   A78        1.98825   0.00001  -0.00038  -0.00008  -0.00045   1.98780
   A79        1.92509   0.00001  -0.00023  -0.00001  -0.00024   1.92485
   A80        2.20064   0.00001  -0.00012   0.00003  -0.00009   2.20055
   A81        2.05704   0.00000   0.00057   0.00004   0.00061   2.05765
   A82        1.53607   0.00002  -0.00038  -0.00003  -0.00040   1.53567
   A83        1.36294   0.00002   0.00040   0.00021   0.00062   1.36357
   A84        1.18786   0.00001   0.00105   0.00039   0.00143   1.18929
   A85        1.37398   0.00001   0.00091   0.00031   0.00121   1.37520
   A86        1.20934   0.00001   0.00038   0.00018   0.00057   1.20991
   A87        1.31739   0.00001   0.00003   0.00004   0.00008   1.31748
   A88        1.79998   0.00001   0.00062   0.00033   0.00094   1.80093
   A89        2.22750  -0.00002  -0.00136   0.00006  -0.00132   2.22618
   A90        2.28525  -0.00002  -0.00121   0.00014  -0.00110   2.28415
   A91        1.90347  -0.00002  -0.00037   0.00027  -0.00013   1.90334
   A92        1.82133  -0.00001  -0.00089   0.00009  -0.00082   1.82051
   A93        2.59625  -0.00001  -0.00103   0.00015  -0.00092   2.59533
   A94        2.53916  -0.00001  -0.00255  -0.00027  -0.00285   2.53631
   A95        1.90241   0.00001   0.00126   0.00025   0.00151   1.90392
   A96        1.97244   0.00001   0.00190   0.00044   0.00233   1.97477
   A97        2.34555   0.00001   0.00198   0.00050   0.00246   2.34801
   A98        2.29740   0.00000   0.00256   0.00049   0.00303   2.30043
   A99        1.64066   0.00002   0.00193   0.00047   0.00239   1.64304
   A100       1.53952   0.00003   0.00286   0.00075   0.00360   1.54312
   A101       0.88455   0.00000  -0.00010   0.00012   0.00001   0.88456
   A102       1.05516   0.00001   0.00018   0.00013   0.00031   1.05547
   A103       0.92723   0.00001   0.00027   0.00013   0.00040   0.92763
   A104       1.08944   0.00001   0.00037   0.00009   0.00046   1.08990
   A105       1.48101   0.00001  -0.00012   0.00015   0.00003   1.48105
   A106       2.38454  -0.00001  -0.00150   0.00011  -0.00139   2.38315
   A107       2.28144  -0.00002  -0.00192   0.00001  -0.00191   2.27953
   A108       1.85555  -0.00002  -0.00149   0.00013  -0.00134   1.85421
   A109       1.68389  -0.00002  -0.00189  -0.00004  -0.00192   1.68198
   A110       2.43919  -0.00001  -0.00172  -0.00006  -0.00179   2.43741
   A111       2.27958  -0.00001  -0.00308  -0.00046  -0.00354   2.27603
   A112       0.71287   0.00000   0.00000   0.00009   0.00009   0.71296
   A113       1.00476   0.00000   0.00005   0.00008   0.00013   1.00490
   A114       0.69423   0.00000   0.00039   0.00007   0.00047   0.69470
   A115       0.98127   0.00000   0.00059   0.00010   0.00069   0.98196
   A116       1.79513   0.00000   0.00193   0.00030   0.00222   1.79735
   A117       1.41562   0.00000   0.00163   0.00031   0.00194   1.41756
   A118       1.18041   0.00000   0.00149   0.00028   0.00176   1.18217
   A119       0.90709   0.00001   0.00135   0.00026   0.00161   0.90870
   A120       1.24451   0.00000   0.00135   0.00027   0.00162   1.24612
   A121       1.99543   0.00000   0.00012  -0.00040  -0.00028   1.99514
   A122       2.00722   0.00001   0.00184   0.00001   0.00184   2.00907
   A123       2.33406   0.00001   0.00187   0.00021   0.00207   2.33613
   A124       2.23790   0.00000   0.00353   0.00078   0.00432   2.24222
   A125       1.63799   0.00000   0.00250   0.00018   0.00269   1.64068
   A126       1.49924   0.00000   0.00494   0.00077   0.00572   1.50497
   A127       0.65699   0.00000  -0.00003   0.00000  -0.00003   0.65696
   A128       0.66185  -0.00001   0.00010  -0.00003   0.00006   0.66191
   A129       2.15168   0.00000   0.00249   0.00048   0.00296   2.15464
   A130       1.78221   0.00000   0.00214   0.00047   0.00261   1.78482
   A131       1.48431   0.00001   0.00222   0.00050   0.00271   1.48702
   A132       1.19218   0.00001   0.00216   0.00049   0.00264   1.19481
   A133       1.63701   0.00000   0.00154   0.00032   0.00186   1.63887
   A134       1.85635  -0.00001  -0.00162  -0.00081  -0.00243   1.85393
   A135       2.02755   0.00001   0.00023  -0.00041  -0.00018   2.02736
   A136       2.44588   0.00001   0.00009  -0.00043  -0.00036   2.44552
   A137       2.50436   0.00000   0.00237   0.00032   0.00267   2.50704
   A138       1.75978   0.00000   0.00151  -0.00009   0.00143   1.76122
   A139       1.71792   0.00000   0.00453   0.00063   0.00518   1.72310
   A140       0.70499  -0.00001   0.00004   0.00002   0.00006   0.70505
   A141       0.83791  -0.00001  -0.00055  -0.00019  -0.00075   0.83716
   A142       2.49296   0.00000   0.00153   0.00026   0.00179   2.49475
   A143       2.11310   0.00000   0.00128   0.00029   0.00157   2.11467
   A144       1.88586   0.00001   0.00172   0.00042   0.00214   1.88800
   A145       1.60035   0.00001   0.00172   0.00044   0.00215   1.60250
   A146       1.84138   0.00000   0.00067   0.00009   0.00077   1.84215
   A147       1.43094  -0.00002  -0.00166  -0.00086  -0.00252   1.42843
   A148       1.64639   0.00000  -0.00043  -0.00058  -0.00101   1.64538
   A149       2.07423   0.00001  -0.00078  -0.00072  -0.00150   2.07272
   A150       2.24644   0.00001   0.00036  -0.00033   0.00002   2.24646
   A151       1.46943   0.00000   0.00054  -0.00031   0.00025   1.46968
   A152       1.52972   0.00000   0.00336   0.00038   0.00375   1.53346
   A153       0.76656  -0.00001   0.00032   0.00000   0.00031   0.76686
   A154       0.77386  -0.00002  -0.00044  -0.00028  -0.00073   0.77313
   A155       2.79985   0.00000   0.00196   0.00037   0.00229   2.80214
   A156       2.41938   0.00000   0.00154   0.00036   0.00188   2.42126
   A157       2.13898   0.00000   0.00235   0.00053   0.00286   2.14184
   A158       1.84579   0.00001   0.00231   0.00052   0.00280   1.84860
   A159       2.15395   0.00000   0.00034   0.00006   0.00039   2.15434
   A160       1.29481  -0.00001  -0.00312  -0.00102  -0.00412   1.29068
   A161       1.59879   0.00001  -0.00205  -0.00076  -0.00282   1.59598
   A162       2.00107   0.00001  -0.00230  -0.00097  -0.00327   1.99780
   A163       2.25754   0.00001  -0.00186  -0.00079  -0.00265   2.25488
   A164       1.54530   0.00000  -0.00104  -0.00046  -0.00149   1.54381
   A165       1.68503   0.00001   0.00167   0.00018   0.00185   1.68689
   A166       2.12944   0.00001   0.00304   0.00069   0.00373   2.13317
   A167       1.83622   0.00001   0.00286   0.00068   0.00355   1.83977
   A168       1.44864   0.00002   0.00282   0.00067   0.00350   1.45214
   A169       1.17139   0.00002   0.00278   0.00063   0.00341   1.17480
   A170       1.85378   0.00001   0.00218   0.00053   0.00272   1.85650
   A171       2.06055  -0.00003  -0.00294  -0.00104  -0.00399   2.05656
   A172       2.34443  -0.00001  -0.00086  -0.00064  -0.00152   2.34291
   A173       2.76494   0.00000  -0.00160  -0.00090  -0.00254   2.76240
   A174       2.15056  -0.00001   0.00131  -0.00015   0.00117   2.15172
   A175       2.12510   0.00000   0.00479   0.00067   0.00548   2.13058
   A176       2.22611   0.00002   0.00403   0.00104   0.00506   2.23118
   A177       2.01329   0.00002   0.00400   0.00101   0.00502   2.01830
   A178       1.60238   0.00002   0.00396   0.00100   0.00496   1.60734
   A179       1.35542   0.00002   0.00382   0.00091   0.00473   1.36015
   A180       2.11275   0.00001   0.00301   0.00076   0.00377   2.11652
   A181       1.99032  -0.00004  -0.00484  -0.00142  -0.00627   1.98405
   A182       2.35129  -0.00002  -0.00338  -0.00116  -0.00456   2.34673
   A183       2.67489  -0.00001  -0.00432  -0.00144  -0.00579   2.66910
   A184       2.30019  -0.00002  -0.00059  -0.00060  -0.00120   2.29900
   A185       2.35336  -0.00001   0.00367   0.00037   0.00403   2.35739
   A186       0.69052  -0.00001   0.00028   0.00001   0.00030   0.69082
   A187       0.98097  -0.00001   0.00034   0.00003   0.00038   0.98135
   A188       0.69863   0.00000   0.00016   0.00001   0.00017   0.69880
   A189       2.06477   0.00002   0.00064   0.00038   0.00102   2.06579
   A190       1.70141   0.00000  -0.00026   0.00015  -0.00009   1.70132
   A191       1.35751  -0.00001  -0.00032   0.00039   0.00010   1.35760
   A192       1.05768  -0.00001  -0.00017   0.00037   0.00022   1.05790
   A193       1.62097   0.00000  -0.00067  -0.00005  -0.00071   1.62026
   A194       1.40411  -0.00001  -0.00243  -0.00048  -0.00290   1.40122
   A195       0.66640  -0.00001   0.00010   0.00006   0.00017   0.66656
   A196       2.23101   0.00002   0.00141   0.00034   0.00173   2.23274
   A197       1.83720   0.00000   0.00063   0.00019   0.00082   1.83803
   A198       1.59501   0.00000   0.00032   0.00043   0.00078   1.59578
   A199       1.28139  -0.00001   0.00085   0.00054   0.00142   1.28280
   A200       1.61394   0.00000   0.00024   0.00003   0.00027   1.61421
   A201       1.34094  -0.00001  -0.00083  -0.00021  -0.00103   1.33991
   A202       0.70953   0.00000  -0.00034   0.00003  -0.00032   0.70922
   A203       2.62792   0.00001   0.00170   0.00032   0.00199   2.62991
   A204       2.23752   0.00000   0.00095   0.00022   0.00117   2.23868
   A205       2.00534  -0.00001   0.00030   0.00045   0.00077   2.00611
   A206       1.69188  -0.00001   0.00078   0.00054   0.00134   1.69323
   A207       1.95466   0.00000   0.00089   0.00009   0.00099   1.95565
   A208       1.66588  -0.00001   0.00046   0.00000   0.00047   1.66635
   A209       0.83347   0.00000  -0.00032   0.00007  -0.00025   0.83322
   A210       2.70109   0.00001   0.00194   0.00017   0.00209   2.70317
   A211       2.37613   0.00001   0.00160   0.00027   0.00187   2.37800
   A212       2.24939  -0.00001   0.00064   0.00051   0.00117   2.25056
   A213       1.93879  -0.00001   0.00123   0.00065   0.00191   1.94070
   A214       2.01112   0.00000   0.00157   0.00019   0.00177   2.01288
   A215       1.72687  -0.00001   0.00180   0.00027   0.00208   1.72894
   A216       1.92745   0.00002   0.00216   0.00026   0.00241   1.92986
   A217       1.55297   0.00001   0.00168   0.00020   0.00188   1.55485
   A218       1.45291   0.00000   0.00128   0.00044   0.00175   1.45466
   A219       1.16828  -0.00001   0.00220   0.00068   0.00290   1.17118
   A220       1.24552   0.00000   0.00118   0.00006   0.00124   1.24676
   A221       0.95799  -0.00001   0.00055  -0.00007   0.00051   0.95850
   A222       0.71327   0.00003   0.00086   0.00002   0.00088   0.71414
   A223       1.00710   0.00003   0.00079   0.00001   0.00079   1.00789
   A224       0.69860   0.00002   0.00057   0.00009   0.00066   0.69925
   A225       0.98764   0.00002   0.00063   0.00009   0.00073   0.98836
   A226       0.66126   0.00001   0.00005  -0.00008  -0.00002   0.66123
   A227       0.66680   0.00002  -0.00069  -0.00016  -0.00083   0.66596
   A228       0.70848   0.00001  -0.00094  -0.00011  -0.00104   0.70743
   A229       0.84024   0.00001  -0.00278  -0.00043  -0.00319   0.83705
   A230       0.77946   0.00001  -0.00007   0.00005   0.00000   0.77946
   A231       0.78645   0.00000  -0.00220  -0.00031  -0.00248   0.78396
   A232       1.62478  -0.00007  -0.01003  -0.00264  -0.01263   1.61215
   A233       1.83514   0.00004   0.00875   0.00192   0.01068   1.84582
   A234       2.19175  -0.00003  -0.00015  -0.00009  -0.00024   2.19151
   A235       2.12891   0.00001  -0.00020   0.00001  -0.00010   2.12881
   A236       1.96212   0.00002   0.00035   0.00008   0.00033   1.96245
   A237       2.12199   0.00001  -0.00046   0.00020  -0.00020   2.12180
   A238       2.12577   0.00001  -0.00041   0.00009  -0.00036   2.12540
   A239       2.03440  -0.00002   0.00090  -0.00032   0.00055   2.03494
   A240       1.81794   0.00002   0.01529   0.00338   0.01867   1.83661
   A241       2.55354  -0.00003  -0.01431  -0.00331  -0.01771   2.53583
   A242       1.91240  -0.00001  -0.00007   0.00025   0.00038   1.91277
   A243       1.91859  -0.00001   0.00067   0.00018   0.00073   1.91932
   A244       1.91824   0.00001  -0.00039  -0.00052  -0.00124   1.91700
   A245       1.90840   0.00002  -0.00044   0.00007  -0.00046   1.90794
   A246       1.90843   0.00000  -0.00039   0.00004  -0.00032   1.90810
   A247       1.89766  -0.00001   0.00063  -0.00002   0.00091   1.89857
   A248       1.33910  -0.00004  -0.01263  -0.00255  -0.01517   1.32393
   A249       1.90687   0.00001   0.00000  -0.00004  -0.00010   1.90677
   A250       1.90859   0.00000  -0.00032   0.00012  -0.00017   1.90842
   A251       1.92685   0.00000   0.00011  -0.00008   0.00005   1.92691
   A252       1.91110  -0.00001  -0.00034  -0.00005  -0.00039   1.91071
   A253       1.89583   0.00000   0.00054   0.00004   0.00059   1.89642
   A254       1.91448   0.00001   0.00001   0.00001   0.00002   1.91450
   A255       1.72184  -0.00003  -0.00002  -0.00003  -0.00005   1.72180
   A256       1.77467   0.00001  -0.00083  -0.00024  -0.00107   1.77361
   A257       2.19073  -0.00002   0.00005  -0.00004   0.00001   2.19073
   A258       2.12996   0.00001  -0.00013   0.00008  -0.00005   2.12991
   A259       1.96230   0.00001   0.00008  -0.00004   0.00004   1.96234
   A260       2.12337   0.00000  -0.00009   0.00006  -0.00003   2.12334
   A261       2.12404   0.00000   0.00018  -0.00003   0.00017   2.12422
   A262       2.03568  -0.00001  -0.00010  -0.00004  -0.00016   2.03552
   A263       1.35002  -0.00004   0.00210  -0.00013   0.00197   1.35198
   A264       1.90048  -0.00001   0.00015  -0.00003   0.00009   1.90057
   A265       1.93154   0.00001  -0.00014   0.00007  -0.00005   1.93149
   A266       1.90978  -0.00002   0.00008   0.00000   0.00007   1.90985
   A267       1.89798   0.00000  -0.00008  -0.00001  -0.00009   1.89789
   A268       1.91286   0.00000   0.00017  -0.00007   0.00013   1.91298
   A269       1.91107   0.00002  -0.00018   0.00004  -0.00014   1.91094
   A270       2.64725   0.00002   0.00290   0.00080   0.00369   2.65094
   A271       1.71653  -0.00002  -0.00308  -0.00081  -0.00389   1.71264
   A272       1.92365   0.00001   0.00023   0.00002   0.00025   1.92390
   A273       1.91533  -0.00001  -0.00015  -0.00012  -0.00030   1.91503
   A274       1.91395  -0.00002  -0.00009   0.00000  -0.00010   1.91385
   A275       1.89412   0.00000  -0.00016   0.00002  -0.00012   1.89400
   A276       1.91056   0.00000   0.00013   0.00002   0.00015   1.91071
   A277       1.90601   0.00001   0.00004   0.00006   0.00012   1.90613
   A278       1.81139   0.00000   0.00050  -0.00004   0.00046   1.81185
   A279       1.75152   0.00002  -0.00183  -0.00024  -0.00206   1.74946
   A280       2.19007   0.00000   0.00008   0.00016   0.00023   2.19029
   A281       2.13040  -0.00001   0.00018  -0.00017   0.00001   2.13041
   A282       1.96263   0.00000  -0.00025   0.00000  -0.00024   1.96239
   A283       2.12252   0.00000   0.00007   0.00002   0.00009   2.12261
   A284       2.11646  -0.00001   0.00068   0.00003   0.00073   2.11719
   A285       2.04067   0.00001  -0.00068  -0.00005  -0.00075   2.03992
   A286       2.69635  -0.00002  -0.00029  -0.00006  -0.00035   2.69601
   A287       1.66349   0.00001   0.00021   0.00004   0.00025   1.66374
   A288       1.92558   0.00000  -0.00018  -0.00004  -0.00021   1.92537
   A289       1.91486  -0.00001   0.00017   0.00017   0.00035   1.91521
   A290       1.91267   0.00001   0.00016  -0.00003   0.00012   1.91278
   A291       1.89176  -0.00001  -0.00030  -0.00003  -0.00033   1.89142
   A292       1.91204   0.00001   0.00000   0.00001   0.00001   1.91206
   A293       1.90672   0.00000   0.00014  -0.00008   0.00007   1.90679
   A294       1.36321  -0.00004   0.00593   0.00070   0.00662   1.36983
   A295       1.14498   0.00002  -0.00397  -0.00047  -0.00443   1.14056
   A296       1.93216   0.00000  -0.00023  -0.00008  -0.00028   1.93188
   A297       1.90744  -0.00002   0.00011   0.00004   0.00013   1.90757
   A298       1.90211   0.00001  -0.00001   0.00012   0.00003   1.90214
   A299       1.90972   0.00002   0.00033  -0.00010   0.00024   1.90995
   A300       1.89739  -0.00001  -0.00028  -0.00010  -0.00037   1.89702
   A301       1.91497  -0.00001   0.00007   0.00012   0.00025   1.91522
   A302       1.72922  -0.00002  -0.00509  -0.00080  -0.00592   1.72330
   A303       1.76737  -0.00011   0.00112  -0.00119  -0.00005   1.76732
   A304       2.19313  -0.00003   0.00032  -0.00002   0.00032   2.19345
   A305       2.12930   0.00004   0.00036  -0.00016   0.00013   2.12942
   A306       1.96054  -0.00001  -0.00067   0.00016  -0.00046   1.96009
   A307       2.12450   0.00004   0.00226  -0.00004   0.00218   2.12668
   A308       2.12208  -0.00003   0.00026  -0.00003   0.00018   2.12226
   A309       2.03641  -0.00001  -0.00257   0.00004  -0.00254   2.03387
   A310       1.39855  -0.00004   0.00913   0.00031   0.00944   1.40799
   A311       2.95750   0.00001  -0.01051  -0.00028  -0.01079   2.94670
   A312       1.90879  -0.00004   0.00094  -0.00029   0.00063   1.90942
   A313       1.92735   0.00002  -0.00011   0.00018   0.00007   1.92743
   A314       1.90552  -0.00002  -0.00057   0.00018  -0.00042   1.90509
   A315       1.91332   0.00004   0.00060  -0.00004   0.00056   1.91388
   A316       1.91263  -0.00001   0.00153  -0.00018   0.00138   1.91401
   A317       1.89614   0.00000  -0.00239   0.00016  -0.00223   1.89390
   A318       1.70352  -0.00005  -0.00512  -0.00162  -0.00673   1.69679
   A319       1.91378  -0.00002   0.00078  -0.00018   0.00057   1.91435
   A320       1.91538   0.00000  -0.00107  -0.00020  -0.00126   1.91411
   A321       1.92481  -0.00001   0.00016   0.00003   0.00020   1.92501
   A322       1.90500  -0.00002   0.00068  -0.00007   0.00062   1.90563
   A323       1.91110   0.00003  -0.00026   0.00029   0.00003   1.91114
   A324       1.89353   0.00001  -0.00030   0.00013  -0.00017   1.89336
   A325       2.92217   0.00000  -0.00185  -0.00011  -0.00198   2.92019
   A326       3.35629   0.00000  -0.00385  -0.00083  -0.00472   3.35157
   A327       3.07404   0.00000  -0.00391  -0.00083  -0.00476   3.06928
   A328       3.25358  -0.00002  -0.01262  -0.00254  -0.01515   3.23843
   A329       3.26109  -0.00002   0.00192  -0.00009   0.00183   3.26292
   A330       3.27293  -0.00002   0.00626   0.00059   0.00686   3.27978
   A331       3.61463  -0.00002  -0.00538  -0.00133  -0.00670   3.60793
   A332       3.22032  -0.00001   0.00358   0.00040   0.00393   3.22425
   A333       3.05846   0.00000  -0.00244  -0.00105  -0.00350   3.05496
   A334       3.00161  -0.00001  -0.00353  -0.00132  -0.00486   2.99675
   A335       3.23740   0.00000  -0.00023   0.00005  -0.00020   3.23720
   A336       3.07548   0.00000   0.00063   0.00000   0.00064   3.07612
   A337       3.09962   0.00000  -0.00147  -0.00032  -0.00177   3.09785
   A338       3.03414   0.00002   0.00061   0.00007   0.00070   3.03484
    D1        2.75668  -0.00002   0.00185   0.00042   0.00225   2.75893
    D2       -1.35641  -0.00002   0.00023  -0.00005   0.00013  -1.35627
    D3        2.77335  -0.00001   0.00894   0.00174   0.01063   2.78398
    D4       -1.33974  -0.00001   0.00731   0.00127   0.00852  -1.33122
    D5        1.64942   0.00000   0.00344   0.00096   0.00442   1.65384
    D6       -2.46366  -0.00001   0.00181   0.00048   0.00230  -2.46136
    D7        1.81456   0.00000   0.00698   0.00177   0.00874   1.82329
    D8       -2.29853   0.00000   0.00535   0.00130   0.00662  -2.29190
    D9        0.29408  -0.00001   0.00600   0.00156   0.00757   0.30165
   D10        2.46418  -0.00001   0.00437   0.00109   0.00546   2.46964
   D11        0.01804  -0.00001   0.00547   0.00143   0.00690   0.02494
   D12        2.18814  -0.00001   0.00384   0.00095   0.00479   2.19293
   D13       -0.44698  -0.00001   0.00536   0.00134   0.00670  -0.44027
   D14        1.72313  -0.00001   0.00373   0.00087   0.00459   1.72772
   D15       -0.57036   0.00000   0.00522   0.00148   0.00671  -0.56365
   D16        1.59974   0.00000   0.00360   0.00100   0.00460   1.60433
   D17        0.19780  -0.00001   0.00563   0.00151   0.00714   0.20493
   D18        2.36790  -0.00001   0.00400   0.00103   0.00503   2.37292
   D19        0.14095  -0.00001   0.00454   0.00124   0.00578   0.14673
   D20        2.31105  -0.00001   0.00292   0.00076   0.00367   2.31471
   D21        2.34929   0.00001   0.00892   0.00233   0.01125   2.36054
   D22       -1.76380   0.00001   0.00729   0.00186   0.00914  -1.75466
   D23        2.09842   0.00001   0.00969   0.00259   0.01229   2.11071
   D24       -2.01466   0.00001   0.00807   0.00211   0.01017  -2.00449
   D25        1.66009   0.00002   0.00923   0.00242   0.01166   1.67175
   D26       -2.45299   0.00002   0.00760   0.00195   0.00954  -2.44345
   D27        1.35336   0.00002   0.00922   0.00238   0.01161   1.36497
   D28       -2.75972   0.00002   0.00760   0.00190   0.00950  -2.75023
   D29        2.29293   0.00003   0.01081   0.00310   0.01391   2.30685
   D30       -1.82015   0.00003   0.00919   0.00262   0.01180  -1.80835
   D31       -1.86309   0.00002   0.00879   0.00258   0.01137  -1.85172
   D32        0.30701   0.00002   0.00716   0.00211   0.00926   0.31626
   D33       -2.18996   0.00000   0.00742   0.00229   0.00972  -2.18024
   D34       -0.01986   0.00000   0.00579   0.00182   0.00761  -0.01225
   D35       -2.57572   0.00000   0.00789   0.00255   0.01047  -2.56526
   D36       -0.40562  -0.00001   0.00626   0.00208   0.00835  -0.39727
   D37       -2.86066   0.00000   0.00807   0.00256   0.01064  -2.85002
   D38       -0.69056   0.00000   0.00644   0.00208   0.00853  -0.68204
   D39       -2.17608   0.00000   0.00581   0.00195   0.00775  -2.16833
   D40       -0.00598   0.00000   0.00418   0.00147   0.00563  -0.00034
   D41       -2.42395   0.00000   0.00328   0.00141   0.00474  -2.41921
   D42       -0.25384   0.00000   0.00165   0.00093   0.00262  -0.25122
   D43        1.27830  -0.00002  -0.01054  -0.00182  -0.01242   1.26588
   D44       -1.97057  -0.00003  -0.00039   0.00006  -0.00038  -1.97096
   D45        2.45475   0.00000  -0.00685  -0.00098  -0.00784   2.44691
   D46       -0.79412  -0.00001   0.00331   0.00090   0.00419  -0.78992
   D47        2.92670   0.00001  -0.00397  -0.00028  -0.00427   2.92243
   D48       -0.32217   0.00000   0.00618   0.00160   0.00777  -0.31440
   D49        2.82833   0.00001  -0.00746  -0.00026  -0.00772   2.82060
   D50       -0.42054   0.00000   0.00270   0.00162   0.00431  -0.41623
   D51        2.02711   0.00000  -0.00559  -0.00006  -0.00568   2.02144
   D52       -1.22176   0.00000   0.00457   0.00182   0.00636  -1.21540
   D53        1.15835   0.00000  -0.00364  -0.00006  -0.00371   1.15464
   D54       -2.09052  -0.00001   0.00652   0.00182   0.00833  -2.08219
   D55        1.02113   0.00001  -0.00587  -0.00040  -0.00627   1.01487
   D56       -2.22773   0.00001   0.00428   0.00149   0.00577  -2.22197
   D57        2.01391   0.00000  -0.00650  -0.00046  -0.00699   2.00691
   D58       -1.23496  -0.00001   0.00365   0.00142   0.00504  -1.22992
   D59        1.83158  -0.00001  -0.00776  -0.00088  -0.00866   1.82292
   D60       -1.41729  -0.00002   0.00239   0.00100   0.00337  -1.41392
   D61       -2.31451   0.00001  -0.00303   0.00023  -0.00281  -2.31731
   D62        0.71981   0.00000   0.00713   0.00211   0.00923   0.72904
   D63       -2.44445   0.00001  -0.00405   0.00003  -0.00403  -2.44848
   D64        0.58986   0.00000   0.00611   0.00191   0.00801   0.59787
   D65       -2.84569   0.00001  -0.00434  -0.00004  -0.00439  -2.85008
   D66        0.18862   0.00001   0.00582   0.00184   0.00765   0.19627
   D67       -3.02247   0.00001  -0.00463  -0.00011  -0.00476  -3.02723
   D68        0.01184   0.00001   0.00553   0.00177   0.00728   0.01912
   D69       -2.16503   0.00001  -0.00525  -0.00013  -0.00539  -2.17043
   D70        0.86928   0.00001   0.00491   0.00175   0.00664   0.87592
   D71       -0.21506   0.00003  -0.00275   0.00030  -0.00246  -0.21752
   D72        2.81925   0.00002   0.00741   0.00219   0.00957   2.82883
   D73       -0.60793   0.00001  -0.00344   0.00017  -0.00328  -0.61121
   D74        2.42639   0.00001   0.00672   0.00206   0.00876   2.43514
   D75       -0.80974   0.00000  -0.00327   0.00062  -0.00266  -0.81240
   D76        2.22458   0.00000   0.00689   0.00251   0.00937   2.23395
   D77       -1.14560   0.00000  -0.00261   0.00079  -0.00182  -1.14741
   D78        1.88872  -0.00001   0.00754   0.00267   0.01022   1.89894
   D79       -0.86405   0.00001  -0.00422  -0.00013  -0.00437  -0.86842
   D80        2.17027   0.00000   0.00594   0.00175   0.00766   2.17793
   D81       -1.17013   0.00000  -0.00486  -0.00032  -0.00517  -1.17529
   D82        1.86419   0.00000   0.00529   0.00157   0.00687   1.87106
   D83       -1.50923  -0.00002  -0.00424  -0.00111  -0.00535  -1.51458
   D84       -2.59480  -0.00001  -0.00145  -0.00075  -0.00219  -2.59700
   D85       -2.93344  -0.00001   0.00349   0.00012   0.00359  -2.92985
   D86        0.73175   0.00000  -0.00114  -0.00025  -0.00138   0.73036
   D87        0.31285  -0.00001  -0.00134  -0.00033  -0.00167   0.31118
   D88       -0.06256  -0.00001  -0.00094  -0.00031  -0.00125  -0.06380
   D89       -0.39550   0.00000  -0.00120  -0.00032  -0.00152  -0.39702
   D90        0.18972  -0.00001  -0.00162  -0.00039  -0.00202   0.18770
   D91       -0.04226  -0.00001  -0.00255  -0.00062  -0.00317  -0.04543
   D92        2.38634  -0.00001   0.00165   0.00028   0.00193   2.38826
   D93        2.03865   0.00000   0.00131   0.00029   0.00159   2.04025
   D94        1.64303   0.00001   0.00154   0.00035   0.00188   1.64491
   D95        1.35668   0.00001   0.00135   0.00028   0.00162   1.35831
   D96        2.04305   0.00000   0.00054   0.00016   0.00071   2.04376
   D97       -1.98458   0.00003   0.00337   0.00102   0.00438  -1.98019
   D98       -2.49029   0.00001   0.00294   0.00079   0.00375  -2.48654
   D99       -2.71652   0.00000   0.00205   0.00081   0.00289  -2.71364
   D100      -3.03281   0.00000   0.00282   0.00095   0.00379  -3.02902
   D101      -2.92008   0.00002   0.00405   0.00079   0.00483  -2.91525
   D102       2.83414   0.00001   0.00566   0.00093   0.00661   2.84075
   D103      -2.88543   0.00001  -0.00048  -0.00001  -0.00050  -2.88593
   D104       1.20896   0.00001  -0.00006  -0.00001  -0.00008   1.20888
   D105       2.84062   0.00000  -0.00152  -0.00039  -0.00190   2.83872
   D106       0.65183   0.00000  -0.00109  -0.00039  -0.00148   0.65035
   D107       2.35214   0.00000   0.00048  -0.00052  -0.00005   2.35209
   D108       0.16335   0.00000   0.00090  -0.00052   0.00037   0.16372
   D109       1.77775   0.00000   0.00008  -0.00027  -0.00013   1.77762
   D110      -0.41104   0.00000   0.00050  -0.00027   0.00029  -0.41075
   D111       2.61124   0.00000  -0.00042  -0.00013  -0.00056   2.61068
   D112       0.42245   0.00000   0.00000  -0.00013  -0.00014   0.42231
   D113       2.28036   0.00000  -0.00188  -0.00046  -0.00233   2.27803
   D114       0.09157   0.00000  -0.00145  -0.00046  -0.00190   0.08966
   D115      -1.60935   0.00000  -0.00020  -0.00001  -0.00022  -1.60957
   D116       2.48504   0.00000   0.00023  -0.00002   0.00020   2.48524
   D117      -1.77133  -0.00001   0.00048  -0.00002   0.00045  -1.77089
   D118       2.32306  -0.00001   0.00091  -0.00003   0.00087   2.32393
   D119      -2.73487   0.00002   0.00002   0.00006   0.00008  -2.73479
   D120       1.35953   0.00002   0.00044   0.00006   0.00050   1.36003
   D121      -2.70552   0.00002   0.00122   0.00038   0.00161  -2.70391
   D122       1.38887   0.00002   0.00164   0.00038   0.00203   1.39090
   D123       1.36412  -0.00001  -0.00230  -0.00067  -0.00295   1.36117
   D124      -0.82467  -0.00001  -0.00187  -0.00067  -0.00253  -0.82720
   D125       1.33039   0.00000  -0.00239  -0.00066  -0.00305   1.32734
   D126      -0.85840   0.00000  -0.00197  -0.00066  -0.00263  -0.86103
   D127       1.68501  -0.00001  -0.00257  -0.00069  -0.00325   1.68176
   D128      -0.50378  -0.00001  -0.00214  -0.00069  -0.00283  -0.50661
   D129       1.80889  -0.00001  -0.00291  -0.00069  -0.00359   1.80530
   D130      -0.37990  -0.00001  -0.00249  -0.00069  -0.00317  -0.38307
   D131       0.92792  -0.00001  -0.00178  -0.00064  -0.00242   0.92550
   D132      -1.26087  -0.00001  -0.00136  -0.00064  -0.00200  -1.26287
   D133      -0.89712  -0.00003  -0.00469  -0.00112  -0.00580  -0.90292
   D134      -3.08591  -0.00003  -0.00426  -0.00112  -0.00538  -3.09129
   D135      -0.46331  -0.00001  -0.00371  -0.00101  -0.00473  -0.46804
   D136      -2.65211  -0.00001  -0.00329  -0.00101  -0.00430  -2.65641
   D137      -0.12440   0.00001  -0.00395  -0.00152  -0.00550  -0.12990
   D138      -2.31319   0.00001  -0.00353  -0.00153  -0.00508  -2.31827
   D139       0.27269   0.00001  -0.00301  -0.00125  -0.00430   0.26839
   D140      -1.91610   0.00001  -0.00259  -0.00125  -0.00388  -1.91998
   D141      -0.27364   0.00000  -0.00235  -0.00068  -0.00304  -0.27667
   D142      -2.46243   0.00000  -0.00193  -0.00069  -0.00262  -2.46505
   D143      -0.01860   0.00000  -0.00078  -0.00033  -0.00112  -0.01972
   D144      -2.20739   0.00000  -0.00036  -0.00033  -0.00070  -2.20810
   D145      -2.48387   0.00002   0.00039   0.00052   0.00092  -2.48294
   D146      -2.72685   0.00002  -0.00085   0.00016  -0.00068  -2.72753
   D147      -2.40185   0.00001  -0.00447  -0.00069  -0.00516  -2.40701
   D148       3.01116   0.00001  -0.00130  -0.00002  -0.00131   3.00984
   D149       2.63637   0.00001  -0.00143  -0.00008  -0.00149   2.63488
   D150       1.51640   0.00000  -0.00080   0.00009  -0.00072   1.51568
   D151       2.61600   0.00000  -0.00016   0.00012  -0.00003   2.61598
   D152       2.98443   0.00001   0.00081   0.00039   0.00120   2.98564
   D153       1.24295  -0.00001  -0.00470  -0.00107  -0.00576   1.23719
   D154       1.28303  -0.00001  -0.00359  -0.00072  -0.00431   1.27873
   D155       1.66495  -0.00001  -0.00292  -0.00053  -0.00345   1.66151
   D156       1.73334  -0.00001  -0.00266  -0.00039  -0.00304   1.73030
   D157       0.92376  -0.00001  -0.00277  -0.00060  -0.00337   0.92040
   D158      -0.98000  -0.00002  -0.00457  -0.00065  -0.00522  -0.98521
   D159      -0.64948  -0.00001  -0.00445  -0.00065  -0.00511  -0.65459
   D160      -0.66047  -0.00001  -0.00445  -0.00096  -0.00542  -0.66589
   D161      -0.34374   0.00000  -0.00613  -0.00153  -0.00767  -0.35141
   D162      -0.27709   0.00000  -0.00406  -0.00054  -0.00461  -0.28169
   D163       0.00750   0.00000  -0.00447  -0.00065  -0.00514   0.00236
   D164      -1.27070   0.00001  -0.00052  -0.00028  -0.00081  -1.27151
   D165       1.68219   0.00001  -0.00158  -0.00032  -0.00191   1.68028
   D166      -1.63827   0.00001  -0.00105  -0.00049  -0.00154  -1.63981
   D167       1.31462   0.00001  -0.00211  -0.00053  -0.00264   1.31198
   D168      -1.71146   0.00001  -0.00157  -0.00089  -0.00245  -1.71391
   D169       1.24144   0.00001  -0.00263  -0.00093  -0.00355   1.23788
   D170      -1.96887   0.00000   0.00476   0.00009   0.00483  -1.96404
   D171       0.98402   0.00000   0.00370   0.00005   0.00373   0.98775
   D172      -1.98902   0.00001  -0.00089  -0.00048  -0.00137  -1.99039
   D173       0.96387   0.00001  -0.00195  -0.00052  -0.00247   0.96140
   D174      -2.29096   0.00001  -0.00096  -0.00052  -0.00147  -2.29243
   D175       0.66193   0.00001  -0.00202  -0.00056  -0.00257   0.65936
   D176       1.98130   0.00001  -0.00034  -0.00029  -0.00063   1.98068
   D177      -1.34899   0.00001  -0.00140  -0.00033  -0.00173  -1.35072
   D178       0.83604   0.00000  -0.00002  -0.00036  -0.00039   0.83565
   D179      -2.49425   0.00000  -0.00108  -0.00040  -0.00149  -2.49574
   D180       0.37152  -0.00001   0.00038  -0.00037   0.00001   0.37153
   D181      -2.95878  -0.00001  -0.00068  -0.00041  -0.00109  -2.95987
   D182      -3.07887  -0.00001  -0.00080  -0.00069  -0.00147  -3.08034
   D183      -0.12598  -0.00001  -0.00186  -0.00073  -0.00258  -0.12855
   D184       2.93720   0.00000  -0.00145  -0.00073  -0.00218   2.93502
   D185      -0.39309   0.00000  -0.00251  -0.00077  -0.00328  -0.39637
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   D187      -0.24695   0.00000  -0.00241  -0.00071  -0.00312  -0.25008
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   D189      -0.34637   0.00000  -0.00236  -0.00062  -0.00299  -0.34936
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   D191      -0.83554  -0.00001  -0.00255  -0.00087  -0.00343  -0.83897
   D192       0.32103  -0.00001  -0.00409  -0.00088  -0.00498   0.31605
   D193      -3.00926  -0.00001  -0.00515  -0.00092  -0.00609  -3.01535
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   D197      -2.82024  -0.00002  -0.01062  -0.00248  -0.01299  -2.83323
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   D199      -2.19743  -0.00001  -0.00551  -0.00124  -0.00677  -2.20420
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   D201      -1.85426   0.00000  -0.00421  -0.00106  -0.00531  -1.85957
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   D203      -0.58233  -0.00002  -0.00215  -0.00065  -0.00281  -0.58514
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   D209      -1.04112   0.00001  -0.00025   0.00019  -0.00003  -1.04115
   D210       2.11054  -0.00001   0.00094  -0.00004   0.00087   2.11141
   D211      -0.10435  -0.00001   0.00135   0.00027   0.00159  -0.10276
   D212       2.22769  -0.00002  -0.00015  -0.00030  -0.00045   2.22724
   D213       0.01280  -0.00002   0.00025   0.00001   0.00026   0.01306
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   D218      -2.05526   0.00001   0.00261   0.00059   0.00319  -2.05208
   D219       2.01303   0.00001   0.00301   0.00090   0.00390   2.01693
   D220      -2.22197   0.00000   0.00698   0.00144   0.00848  -2.21349
   D221       1.84632   0.00000   0.00738   0.00175   0.00920   1.85552
   D222      -2.90228   0.00001  -0.00062  -0.00020  -0.00085  -2.90313
   D223       1.16602   0.00001  -0.00021   0.00011  -0.00013   1.16588
   D224       3.05001   0.00001  -0.00136  -0.00032  -0.00170   3.04831
   D225       0.83512   0.00001  -0.00095  -0.00001  -0.00098   0.83413
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   D228      -2.65749   0.00000   0.00017  -0.00026  -0.00009  -2.65758
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   D230      -1.56581   0.00000  -0.00070  -0.00019  -0.00089  -1.56670
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   D232      -0.01959   0.00001   0.00219  -0.00021   0.00198  -0.01762
   D233      -2.23448   0.00001   0.00260   0.00010   0.00269  -2.23180
   D234      -0.18043   0.00001   0.00234  -0.00006   0.00229  -0.17814
   D235      -2.39532   0.00001   0.00275   0.00025   0.00300  -2.39232
   D236       0.07580   0.00001   0.00167   0.00004   0.00171   0.07751
   D237      -2.13909   0.00001   0.00207   0.00035   0.00242  -2.13667
   D238      -0.02330   0.00001   0.00302   0.00049   0.00353  -0.01977
   D239      -2.23819   0.00001   0.00343   0.00080   0.00425  -2.23395
   D240      -0.58612   0.00000   0.00251   0.00000   0.00251  -0.58361
   D241      -2.80101   0.00000   0.00291   0.00031   0.00322  -2.79779
   D242      -0.77961   0.00000   0.00414   0.00043   0.00458  -0.77504
   D243      -2.99450   0.00000   0.00455   0.00073   0.00529  -2.98921
   D244      -2.91319  -0.00002  -0.00204  -0.00051  -0.00257  -2.91576
   D245       0.00536  -0.00002  -0.00269  -0.00062  -0.00333   0.00203
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   D247      -0.20003  -0.00001  -0.00071  -0.00010  -0.00081  -0.20084
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   D249      -0.59463   0.00000   0.00152   0.00026   0.00177  -0.59286
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   D251      -0.83625   0.00000   0.00042   0.00012   0.00056  -0.83569
   D252      -2.90563   0.00000   0.00206   0.00053   0.00256  -2.90307
   D253       0.01291   0.00000   0.00142   0.00042   0.00181   0.01472
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   D256      -0.66062   0.00000   0.00001   0.00005   0.00006  -0.66056
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   D258      -0.91779   0.00000   0.00070   0.00024   0.00094  -0.91685
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   D260      -0.76548   0.00000   0.00157   0.00048   0.00204  -0.76344
   D261       2.15306   0.00000   0.00093   0.00037   0.00129   2.15435
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   D263       1.94273   0.00000   0.00192   0.00047   0.00239   1.94512
   D264      -1.32581   0.00001   0.00053   0.00022   0.00073  -1.32508
   D265       1.59273   0.00001  -0.00012   0.00011  -0.00002   1.59271
   D266      -1.56966   0.00001   0.00096   0.00038   0.00134  -1.56831
   D267       1.34889   0.00001   0.00032   0.00027   0.00059   1.34948
   D268       1.97714   0.00000   0.00089   0.00013   0.00103   1.97817
   D269      -1.38750   0.00000   0.00025   0.00002   0.00027  -1.38723
   D270       0.85733   0.00000   0.00055   0.00014   0.00070   0.85802
   D271      -2.50731   0.00000  -0.00009   0.00003  -0.00006  -2.50737
   D272       1.08838   0.00000   0.00264  -0.00032   0.00234   1.09072
   D273      -2.27626   0.00000   0.00200  -0.00043   0.00159  -2.27467
   D274       1.17095   0.00002   0.00324   0.00020   0.00343   1.17438
   D275      -2.19369   0.00002   0.00259   0.00009   0.00268  -2.19101
   D276       1.59577   0.00001   0.00242   0.00028   0.00271   1.59847
   D277      -1.76887   0.00001   0.00178   0.00017   0.00195  -1.76692
   D278       1.58392   0.00001   0.00327   0.00062   0.00390   1.58782
   D279      -1.78072   0.00000   0.00263   0.00051   0.00315  -1.77757
   D280       0.82217   0.00000   0.00319   0.00034   0.00353   0.82570
   D281      -2.54247   0.00000   0.00254   0.00023   0.00278  -2.53969
   D282       0.79301   0.00000   0.00542   0.00092   0.00635   0.79936
   D283      -2.57163   0.00000   0.00478   0.00081   0.00560  -2.56604
   D284       1.60797  -0.00003  -0.00559  -0.00153  -0.00712   1.60085
   D285      -2.61041  -0.00003  -0.00725  -0.00160  -0.00886  -2.61926
   D286       1.64266  -0.00002  -0.00233  -0.00052  -0.00285   1.63981
   D287      -2.57571  -0.00001  -0.00399  -0.00059  -0.00459  -2.58031
   D288       1.31263   0.00000   0.00064   0.00020   0.00083   1.31346
   D289      -2.90575   0.00000  -0.00103   0.00013  -0.00091  -2.90666
   D290       1.21737   0.00000  -0.00311  -0.00032  -0.00340   1.21396
   D291      -3.00101   0.00001  -0.00478  -0.00039  -0.00514  -3.00615
   D292       2.02837  -0.00001  -0.00083  -0.00009  -0.00094   2.02744
   D293      -2.19000  -0.00001  -0.00249  -0.00016  -0.00268  -2.19268
   D294       2.01226  -0.00001  -0.00233  -0.00039  -0.00272   2.00954
   D295      -2.20612  -0.00001  -0.00400  -0.00046  -0.00446  -2.21058
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   D299      -0.23751   0.00001  -0.00220  -0.00003  -0.00224  -0.23976
   D300      -1.91923   0.00000  -0.00020   0.00019  -0.00001  -1.91924
   D301       0.14557   0.00001  -0.00186   0.00013  -0.00175   0.14382
   D302      -1.86751   0.00000   0.00118   0.00043   0.00160  -1.86592
   D303       0.19729   0.00000  -0.00048   0.00036  -0.00014   0.19715
   D304      -2.65330   0.00001  -0.00052   0.00011  -0.00042  -2.65372
   D305      -0.58850   0.00001  -0.00219   0.00004  -0.00216  -0.59066
   D306      -2.79111   0.00002   0.00051   0.00047   0.00100  -2.79011
   D307      -0.72630   0.00002  -0.00115   0.00040  -0.00074  -0.72704
   D308       1.52153   0.00000  -0.00268  -0.00036  -0.00303   1.51851
   D309      -2.69684   0.00000  -0.00435  -0.00042  -0.00477  -2.70161
   D310       2.62173  -0.00001  -0.00205  -0.00036  -0.00240   2.61933
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   D312       3.00524  -0.00001  -0.00185  -0.00038  -0.00221   3.00303
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   D316      -0.27494   0.00001  -0.00018  -0.00035  -0.00053  -0.27547
   D317       1.78987   0.00001  -0.00184  -0.00042  -0.00227   1.78760
   D318       0.14232   0.00001  -0.00068  -0.00044  -0.00112   0.14121
   D319       2.20713   0.00002  -0.00234  -0.00051  -0.00286   2.20427
   D320       0.27927   0.00001   0.00003  -0.00017  -0.00013   0.27913
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   D326      -0.00421   0.00001   0.00632   0.00117   0.00752   0.00331
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   D404      -2.59780   0.00000   0.00192   0.00040   0.00231  -2.59549
   D405       0.92560   0.00001   0.00145   0.00033   0.00177   0.92737
   D406      -2.96971   0.00000  -0.00047   0.00001  -0.00047  -2.97018
   D407       0.55369   0.00000  -0.00094  -0.00006  -0.00101   0.55268
   D408       1.85459   0.00000   0.00716   0.00139   0.00857   1.86316
   D409       2.35405  -0.00001   0.00541   0.00110   0.00651   2.36057
   D410       2.57356   0.00000   0.00580   0.00155   0.00735   2.58090
   D411       2.80361   0.00000   0.00220   0.00098   0.00321   2.80682
   D412       2.79343  -0.00002   0.00176   0.00047   0.00225   2.79568
   D413      -3.00725  -0.00002   0.00181   0.00070   0.00251  -3.00474
   D414      -0.81208   0.00000   0.00623   0.00138   0.00762  -0.80447
   D415      -0.43537   0.00000   0.00687   0.00154   0.00842  -0.42695
   D416      -0.11850   0.00000   0.00576   0.00135   0.00712  -0.11138
   D417       0.18900   0.00000   0.00600   0.00140   0.00740   0.19640
   D418      -0.31019   0.00001   0.00857   0.00187   0.01046  -0.29972
   D419       0.00105   0.00001   0.01050   0.00220   0.01269   0.01375
   D420      -2.61148   0.00000   0.00419   0.00107   0.00526  -2.60622
   D421      -2.23014   0.00000   0.00451   0.00106   0.00557  -2.22458
   D422      -1.98858  -0.00001   0.00368   0.00101   0.00470  -1.98388
   D423      -1.67421  -0.00001   0.00377   0.00103   0.00481  -1.66940
   D424      -2.01275   0.00000   0.00551   0.00115   0.00667  -2.00609
   D425       1.35539  -0.00002   0.00254   0.00038   0.00292   1.35831
   D426       2.49538   0.00001   0.00434   0.00043   0.00475   2.50013
   D427       2.94909   0.00001   0.00351   0.00024   0.00372   2.95281
   D428      -3.06665   0.00005   0.00154   0.00154   0.00309  -3.06356
   D429       0.02461   0.00004   0.00220   0.00051   0.00272   0.02732
   D430       0.04476   0.00003   0.00151   0.00125   0.00278   0.04754
   D431       3.13602   0.00002   0.00217   0.00023   0.00241   3.13842
   D432      -0.08841  -0.00003  -0.01376  -0.00369  -0.01745  -0.10587
   D433       2.00924  -0.00002  -0.01394  -0.00333  -0.01733   1.99191
   D434      -2.18588  -0.00003  -0.01299  -0.00357  -0.01652  -2.20240
   D435       3.10101  -0.00002  -0.01436  -0.00272  -0.01708   3.08393
   D436      -1.08452   0.00000  -0.01454  -0.00237  -0.01695  -1.10148
   D437       1.00354  -0.00002  -0.01359  -0.00260  -0.01614   0.98740
   D438      -2.34371   0.00000  -0.00418  -0.00040  -0.00457  -2.34828
   D439      -0.25228  -0.00001  -0.00479  -0.00041  -0.00521  -0.25749
   D440       1.85565   0.00000  -0.00491  -0.00037  -0.00527   1.85039
   D441       0.74994  -0.00001  -0.00358  -0.00137  -0.00494   0.74500
   D442       2.84137  -0.00002  -0.00419  -0.00137  -0.00558   2.83579
   D443      -1.33388  -0.00001  -0.00431  -0.00133  -0.00564  -1.33952
   D444      -0.00743  -0.00001  -0.00052   0.00046  -0.00005  -0.00749
   D445       3.11898  -0.00002  -0.00113  -0.00016  -0.00130   3.11768
   D446      -3.12801   0.00000  -0.00042   0.00035  -0.00007  -3.12808
   D447      -0.00159  -0.00001  -0.00103  -0.00028  -0.00131  -0.00291
   D448       2.43257   0.00000  -0.00174  -0.00040  -0.00213   2.43044
   D449      -1.76529   0.00000  -0.00182  -0.00039  -0.00221  -1.76750
   D450       0.34214   0.00002  -0.00208  -0.00029  -0.00238   0.33977
   D451      -0.69457   0.00001  -0.00115   0.00020  -0.00095  -0.69552
   D452       1.39075   0.00001  -0.00124   0.00021  -0.00103   1.38972
   D453      -2.78501   0.00003  -0.00150   0.00030  -0.00119  -2.78620
   D454       2.06736   0.00000  -0.00134  -0.00032  -0.00165   2.06571
   D455      -2.13079   0.00000  -0.00149  -0.00036  -0.00183  -2.13262
   D456      -0.03712  -0.00001  -0.00158  -0.00035  -0.00193  -0.03906
   D457      -1.08869  -0.00001  -0.00192  -0.00091  -0.00284  -1.09152
   D458       0.99635  -0.00001  -0.00207  -0.00095  -0.00302   0.99333
   D459       3.09002  -0.00002  -0.00217  -0.00095  -0.00312   3.08690
   D460      -3.07917   0.00001   0.00008  -0.00029  -0.00022  -3.07939
   D461      -0.03068   0.00000   0.00089  -0.00026   0.00063  -0.03004
   D462       0.07631   0.00000  -0.00030   0.00034   0.00005   0.07636
   D463       3.12481  -0.00001   0.00052   0.00037   0.00090   3.12570
   D464       1.93117   0.00001   0.00281  -0.00011   0.00271   1.93388
   D465      -2.26900   0.00000   0.00244  -0.00006   0.00238  -2.26661
   D466      -0.17556   0.00000   0.00282  -0.00007   0.00275  -0.17280
   D467      -1.12118   0.00002   0.00197  -0.00014   0.00182  -1.11936
   D468       0.96183   0.00000   0.00160  -0.00010   0.00150   0.96333
   D469       3.05528   0.00001   0.00197  -0.00011   0.00187   3.05714
   D470      -1.64597   0.00002  -0.00790  -0.00055  -0.00846  -1.65443
   D471       0.45865   0.00004  -0.00755  -0.00070  -0.00826   0.45039
   D472       2.55123   0.00002  -0.00741  -0.00046  -0.00786   2.54337
   D473       1.40671   0.00002  -0.00709  -0.00052  -0.00761   1.39910
   D474      -2.77185   0.00003  -0.00674  -0.00067  -0.00741  -2.77926
   D475      -0.67927   0.00002  -0.00660  -0.00042  -0.00701  -0.68628
   D476       0.01574  -0.00003   0.00022  -0.00040  -0.00020   0.01554
   D477      -3.10409   0.00002   0.00713   0.00134   0.00849  -3.09560
   D478       3.13523  -0.00013   0.00106  -0.00147  -0.00047   3.13477
   D479       0.01540  -0.00008   0.00797   0.00027   0.00823   0.02363
   D480      -0.29874   0.00000   0.01670   0.00189   0.01859  -0.28015
   D481       1.80819   0.00004   0.01798   0.00176   0.01974   1.82793
   D482      -2.39134   0.00005   0.01461   0.00218   0.01678  -2.37455
   D483       2.82211  -0.00004   0.01012   0.00023   0.01034   2.83245
   D484      -1.35415   0.00000   0.01140   0.00010   0.01149  -1.34266
   D485       0.72951   0.00001   0.00804   0.00052   0.00853   0.73804
   D486       0.03573   0.00000  -0.00135  -0.00012  -0.00147   0.03426
   D487       2.12808  -0.00004  -0.00069  -0.00044  -0.00113   2.12694
   D488      -2.07005  -0.00003  -0.00163  -0.00039  -0.00201  -2.07206
   D489      -3.08515   0.00004   0.00521   0.00153   0.00673  -3.07842
   D490      -0.99280   0.00000   0.00587   0.00121   0.00707  -0.98573
   D491       1.09226   0.00001   0.00493   0.00127   0.00619   1.09845
         Item               Value     Threshold  Converged?
 Maximum Force            0.000127     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.048399     0.001800     NO 
 RMS     Displacement     0.005480     0.001200     NO 
 Predicted change in Energy=-3.727356D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:27:00 2016, MaxMem=  2952790016 cpu:         8.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.861728   -0.608792    1.688091
      2          6           0       -2.125575    1.037844   -1.387453
      3          8           0       -2.632357    0.043449   -1.934831
      4          7           0       -0.843905    1.126828   -0.937838
      5          1           0       -2.709300    1.958687   -1.186820
      6          6           0       -0.364511    2.307742   -0.218646
      7          1           0       -1.144269    3.082183   -0.220591
      8          1           0       -0.118612    2.040628    0.821867
      9          1           0        0.541477    2.701136   -0.707548
     10          6           0        0.106349    0.023203   -1.093233
     11          1           0        0.645588   -0.127698   -0.145249
     12          1           0       -0.439669   -0.892851   -1.353533
     13          1           0        0.839676    0.255718   -1.882983
     14          6           0       -1.980407   -4.036139    2.618460
     15          8           0       -2.134883   -3.892148    3.843263
     16          7           0       -2.902703   -3.734567    1.664415
     17          1           0       -1.034191   -4.417611    2.186252
     18          6           0       -4.220947   -3.198084    2.011652
     19          1           0       -4.485375   -2.407623    1.291477
     20          1           0       -4.987530   -3.989589    1.966320
     21          1           0       -4.188500   -2.777253    3.025077
     22          6           0       -2.620897   -3.910520    0.239412
     23          1           0       -3.318462   -4.642612   -0.199592
     24          1           0       -2.745663   -2.949107   -0.286105
     25          1           0       -1.588507   -4.263428    0.107578
     26          6           0        1.525042    0.375225    2.616407
     27          8           0        1.358697    1.392435    3.310343
     28          7           0        1.148856   -0.886660    2.960907
     29          1           0        1.999185    0.416830    1.615970
     30          6           0        1.455422   -2.037422    2.110892
     31          1           0        2.206690   -2.682823    2.596408
     32          1           0        0.542359   -2.631358    1.945349
     33          1           0        1.840845   -1.688386    1.143246
     34          6           0        0.519661   -1.167154    4.253714
     35          1           0        1.273639   -1.488128    4.992774
     36          1           0        0.015809   -0.262071    4.615728
     37          1           0       -0.215232   -1.975475    4.126101
     38          6           0       -4.566425    1.324906    2.901121
     39          8           0       -4.793269    1.994273    1.879052
     40          7           0       -3.467605    1.438085    3.696528
     41          1           0       -5.259295    0.532776    3.250733
     42          6           0       -2.411423    2.414778    3.421174
     43          1           0       -2.511702    2.779471    2.391018
     44          1           0       -2.478641    3.262872    4.123221
     45          1           0       -1.430374    1.931756    3.549363
     46          6           0       -3.263490    0.562739    4.850895
     47          1           0       -4.085922   -0.163414    4.914848
     48          1           0       -2.309231    0.020809    4.741705
     49          1           0       -3.223925    1.156671    5.778955
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.498571   0.000000
     3  O    3.760965   1.243090   0.000000
     4  N    3.308148   1.361157   2.316520   0.000000
     5  H    3.946573   1.108575   2.057565   2.057591   0.000000
     6  C    3.792555   2.465785   3.635304   1.463426   2.560710
     7  H    4.216765   2.550264   3.793010   2.104299   2.155264
     8  H    3.287586   3.148740   4.231668   2.111312   3.279207
     9  H    4.740264   3.215895   4.317725   2.109684   3.368752
    10  C    3.465330   2.469322   2.865172   1.464622   3.418002
    11  H    3.143123   3.252830   3.738558   2.102528   4.085725
    12  H    3.369632   2.563399   2.454067   2.101264   3.648326
    13  H    4.560431   3.106442   3.478901   2.118154   3.997496
    14  C    3.553362   6.466353   6.148215   6.371430   7.137883
    15  O    3.936980   7.187858   7.008765   7.050934   7.737180
    16  N    3.294642   5.717844   5.225043   5.885875   6.370250
    17  H    3.929388   6.612449   6.280010   6.366863   7.405456
    18  C    3.517818   5.821304   5.348447   6.229668   6.253605
    19  H    3.205717   4.961509   4.455390   5.542787   5.325510
    20  H    4.612791   6.686827   6.085328   7.195935   7.107363
    21  H    3.450163   6.187168   5.914274   6.490983   6.508243
    22  C    3.684619   5.232432   4.512354   5.469780   6.040657
    23  H    4.685843   5.924658   5.043904   6.320986   6.702450
    24  H    3.186828   4.182494   3.418557   4.544743   4.989895
    25  H    3.991120   5.534171   4.879575   5.540955   6.453399
    26  C    3.646953   5.458659   6.173152   4.336989   5.907752
    27  O    4.124045   5.859622   6.727565   4.792603   6.090461
    28  N    3.280379   5.773547   6.255472   4.819278   6.339164
    29  H    3.995466   5.140025   5.847973   3.887055   5.692345
    30  C    3.636376   5.875306   6.116195   4.959247   6.647458
    31  H    4.656035   6.962975   7.168058   6.025816   7.747476
    32  H    3.152235   5.629252   5.682359   4.935428   6.438344
    33  H    3.895051   5.437762   5.699416   4.411827   6.279663
    34  C    3.544742   6.609240   7.049742   5.837283   7.056662
    35  H    4.639470   7.657838   8.099028   6.818662   8.119835
    36  H    3.495199   6.504882   7.072196   5.788803   6.784360
    37  H    3.243865   6.567250   6.830333   5.971849   7.065772
    38  C    3.539211   4.942875   5.363691   5.351074   4.534517
    39  O    3.925092   4.324511   4.798016   4.927961   3.707258
    40  N    3.286695   5.273338   5.861301   5.334606   4.969219
    41  H    3.910050   5.620325   5.833551   6.114956   5.312962
    42  C    3.528132   5.010044   5.861638   4.808005   4.640082
    43  H    3.520923   4.178421   5.119897   4.073581   3.676093
    44  H    4.615215   5.953396   6.862092   5.731436   5.472717
    45  H    3.178802   5.065030   5.923416   4.596393   4.905895
    46  C    3.652499   6.359053   6.834769   6.299366   6.221720
    47  H    3.944282   6.708575   7.005266   6.813907   6.605206
    48  H    3.149795   6.215679   6.684389   5.968891   6.250026
    49  H    4.659142   7.251061   7.816119   7.126057   7.030653
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098992   0.000000
     8  H    1.102035   1.795418   0.000000
     9  H    1.102089   1.795568   1.791953   0.000000
    10  C    2.491131   3.418027   2.790738   2.740331   0.000000
    11  H    2.637624   3.675949   2.494184   2.886057   1.101010
    12  H    3.396677   4.192960   3.666161   3.781096   1.097746
    13  H    2.903599   3.832556   3.379412   2.729586   1.102513
    14  C    7.134783   7.709076   6.604629   7.925472   5.882982
    15  O    7.620496   8.132498   6.956437   8.446549   6.687458
    16  N    6.818933   7.287895   6.466369   7.675081   5.547960
    17  H    7.173729   7.877304   6.663984   7.844321   5.637081
    18  C    7.082404   7.341022   6.759352   8.054535   6.224347
    19  H    6.441790   6.602069   6.251087   7.440751   5.716616
    20  H    8.111890   8.340455   7.834516   9.082142   7.170144
    21  H    7.141555   7.357628   6.680577   8.143582   6.576380
    22  C    6.630828   7.161699   6.482040   7.389949   4.968701
    23  H    7.552060   8.024962   7.479847   8.311906   5.856429
    24  H    5.771387   6.240610   5.746865   6.550432   4.197626
    25  H    6.692150   7.366345   6.512444   7.328467   4.763370
    26  C    3.916958   4.743564   2.948820   4.174438   3.987234
    27  O    4.032493   4.646244   2.965656   4.303951   4.778562
    28  N    4.754371   5.579611   3.840701   5.167083   4.283774
    29  H    3.539552   4.512025   2.784311   3.569552   3.328296
    30  C    5.255412   6.197141   4.557375   5.588634   4.041360
    31  H    6.280235   7.238764   5.555809   6.532693   5.034626
    32  H    5.468089   6.338814   4.850418   5.955952   4.058298
    33  H    4.763128   5.790447   4.224725   4.937783   3.307544
    34  C    5.732248   6.391004   4.740763   6.291126   5.493416
    35  H    6.652148   7.342560   5.637992   7.111938   6.378571
    36  H    5.488147   5.993312   4.440031   6.115079   5.716801
    37  H    6.102873   6.733256   5.201575   6.768121   5.598176
    38  C    5.324940   4.954216   4.961713   6.403683   6.283638
    39  O    4.910447   4.348247   4.792933   5.970735   6.060186
    40  N    5.070905   4.841979   4.454491   6.088014   6.141404
    41  H    6.256676   5.956761   5.882145   7.349743   6.922416
    42  C    4.177271   3.913254   3.486168   5.084089   5.695496
    43  H    3.412228   2.963445   2.955504   4.350765   5.156667
    44  H    4.922766   4.547735   4.238226   5.724770   6.662508
    45  H    3.933868   3.951948   3.028500   4.754097   5.249551
    46  C    6.095028   6.046376   5.320478   7.067306   6.854165
    47  H    6.805018   6.749811   6.111452   7.824948   7.328506
    48  H    5.798024   5.945883   4.923781   6.708580   6.315183
    49  H    6.743325   6.635293   5.915833   7.657568   7.720262
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795325   0.000000
    13  H    1.790083   1.798958   0.000000
    14  C    5.459840   5.294418   6.829048   0.000000
    15  O    6.149011   6.235080   7.670899   1.242875   0.000000
    16  N    5.373524   4.821815   6.520108   1.360800   2.315547
    17  H    5.163420   5.030653   6.473798   1.107993   2.057503
    18  C    6.145133   5.562071   7.259947   2.467909   2.861502
    19  H    5.795604   5.065407   6.747351   3.269222   3.773625
    20  H    7.148772   6.426060   8.172887   3.077376   3.416139
    21  H    6.359208   6.064399   7.653138   2.574065   2.475837
    22  C    5.012747   4.049883   5.817015   2.466956   3.636521
    23  H    6.008418   4.866183   6.642104   3.177989   4.278870
    24  H    4.413703   3.268823   5.067108   3.194331   4.279493
    25  H    4.707374   3.849086   5.502825   2.551426   3.793642
    26  C    2.941618   4.607443   4.552858   5.634564   5.754190
    27  O    3.841933   5.496216   5.341549   6.410752   6.357352
    28  N    3.236898   4.597591   4.986370   4.452952   4.538112
    29  H    2.287057   4.059708   3.689593   6.055665   6.373276
    30  C    3.064808   4.111406   4.646361   4.007171   4.396750
    31  H    4.059850   5.080280   5.528896   4.400424   4.676148
    32  H    3.263368   3.856087   4.804137   2.964934   3.515578
    33  H    2.350448   3.473834   3.733623   4.721246   5.287066
    34  C    4.521858   5.695329   6.307616   4.141917   3.826312
    35  H    5.352056   6.600409   7.106712   4.766397   4.326512
    36  H    4.804330   6.019753   6.571157   4.713550   4.289481
    37  H    4.732834   5.590066   6.496163   3.104056   2.727397
    38  C    6.209308   6.328557   7.297721   5.958876   5.832469
    39  O    6.179136   6.143201   6.993250   6.695131   6.750933
    40  N    5.842027   6.332833   7.147139   5.774177   5.496278
    41  H    6.843724   6.816191   7.976794   5.659140   5.449129
    42  C    5.341243   6.134008   6.585231   6.514942   6.327081
    43  H    4.985255   5.639231   5.989002   6.840070   6.838239
    44  H    6.283041   7.170932   7.491908   7.469144   7.168742
    45  H    4.711807   5.744414   6.121488   6.065055   5.873719
    46  C    6.381148   6.970483   7.891473   5.270650   4.704795
    47  H    6.927702   7.288336   8.405218   4.970372   4.342615
    48  H    5.712734   6.440649   7.338752   4.590765   4.018560
    49  H    7.191588   7.926223   8.719510   6.204865   5.515750
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056745   0.000000
    18  C    1.464977   3.416599   0.000000
    19  H    2.098742   4.092841   1.101545   0.000000
    20  H    2.121954   3.982520   1.102807   1.791700   0.000000
    21  H    2.102648   3.652954   1.097808   1.797256   1.796990
    22  C    1.463218   2.562218   2.491698   2.615688   2.930771
    23  H    2.114692   3.310705   2.791190   2.929189   2.811300
    24  H    2.108586   3.346370   2.741922   2.410097   3.343948
    25  H    2.104886   2.156832   3.419093   3.638334   3.883719
    26  C    6.115685   5.450320   6.793428   6.754613   7.866880
    27  O    6.866932   6.383269   7.341110   7.257372   8.428949
    28  N    5.119238   4.222962   5.922716   6.069999   6.947849
    29  H    6.423780   5.735714   7.205152   7.080421   8.267615
    30  C    4.698180   3.445164   5.794666   6.008458   6.733757
    31  H    5.299119   3.698787   6.474716   6.823658   7.339035
    32  H    3.628284   2.394628   4.797359   5.075009   5.694286
    33  H    5.192275   4.099068   6.307031   6.368700   7.252564
    34  C    5.000865   4.153833   5.623601   5.946764   6.597534
    35  H    5.793642   4.667389   6.480858   6.907338   7.390464
    36  H    5.411672   4.926802   5.775075   5.992888   6.778433
    37  H    4.046826   3.224552   4.691633   5.143536   5.612142
    38  C    5.467695   6.779692   4.622548   4.065624   5.412489
    39  O    6.036549   7.438904   5.225486   4.451598   5.987650
    40  N    5.586138   6.518559   4.990030   4.648612   5.896052
    41  H    5.126417   6.594767   4.066055   3.617123   4.709072
    42  C    6.414204   7.078372   6.063444   5.665019   7.054703
    43  H    6.566090   7.350032   6.228692   5.657766   7.220129
    44  H    7.428977   8.051590   7.017001   6.648328   7.971507
    45  H    6.150447   6.506112   6.038800   5.767260   7.086727
    46  C    5.361965   6.072395   4.808515   4.794320   5.658336
    47  H    4.971766   5.903939   4.201904   4.280753   4.913891
    48  H    4.891295   5.277844   4.633478   4.747310   5.564111
    49  H    6.399753   6.983916   5.843845   5.867956   6.643077
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391402   0.000000
    23  H    3.825575   1.102397   0.000000
    24  H    3.615970   1.102746   1.789844   0.000000
    25  H    4.180967   1.098978   1.797464   1.794836   0.000000
    26  C    6.538325   6.419231   7.521175   6.141228   6.124175
    27  O    6.945435   7.306785   8.403407   6.973464   7.136701
    28  N    5.662671   5.546287   6.637233   5.473944   5.199732
    29  H    7.104590   6.478119   7.561190   6.120540   6.087003
    30  C    5.765149   4.860793   5.908919   4.921980   4.270115
    31  H    6.410236   5.510740   6.495051   5.736339   4.805841
    32  H    4.854701   3.814794   4.853024   3.986407   3.252944
    33  H    6.409362   5.065761   6.095007   4.966741   4.411792
    34  C    5.125305   5.788245   6.829490   5.869213   5.587641
    35  H    5.947154   6.605289   7.615696   6.793807   6.305499
    36  H    5.150974   6.278180   7.313947   6.234891   6.237637
    37  H    4.200234   4.963665   5.954433   5.178668   4.823810
    38  C    4.121396   6.187040   6.839818   5.633895   6.921081
    39  O    4.944348   6.501861   7.109434   5.772140   7.250341
    40  N    4.328927   6.424651   7.223356   5.969089   6.994200
    41  H    3.486232   5.980976   6.515844   5.563369   6.808648
    42  C    5.502007   7.083564   7.983697   6.528928   7.500370
    43  H    5.838738   7.028322   7.902496   6.327585   7.461154
    44  H    6.372805   8.158539   9.049236   7.622476   8.576883
    45  H    5.482417   6.819480   7.800119   6.345363   7.088808
    46  C    3.917244   6.456682   7.253008   6.244195   6.971120
    47  H    3.227058   6.168209   6.841762   6.050313   6.793898
    48  H    3.782540   5.985242   6.868948   5.855745   6.352107
    49  H    4.897959   7.531707   8.329685   7.339694   8.013526
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242551   0.000000
    28  N    1.361084   2.315256   0.000000
    29  H    1.107888   2.057408   2.056939   0.000000
    30  C    2.466021   3.634825   1.463134   2.562026   0.000000
    31  H    3.133162   4.223331   2.116146   3.257632   1.103028
    32  H    3.233501   4.326723   2.107883   3.394449   1.101749
    33  H    2.555079   3.797398   2.103688   2.163441   1.098506
    34  C    2.463838   2.854019   1.464894   3.414043   2.494935
    35  H    3.030249   3.336982   2.122692   3.944374   2.939390
    36  H    2.584805   2.498953   2.100558   3.659677   3.390953
    37  H    3.291431   3.805986   2.098555   4.114307   2.618394
    38  C    6.171622   5.939621   6.128543   6.751552   6.942071
    39  O    6.563997   6.344879   6.691714   6.978178   7.440057
    40  N    5.217552   4.841943   5.220852   5.937800   6.231339
    41  H    6.815747   6.673858   6.569870   7.441198   7.279600
    42  C    4.505905   3.907848   4.877185   5.167594   6.040813
    43  H    4.703881   4.212959   5.212003   5.150813   6.246520
    44  H    5.161247   4.345627   5.632790   5.868321   6.900684
    45  H    3.468094   2.850775   3.865511   4.218398   5.113843
    46  C    5.287546   4.942299   5.014142   6.179141   6.044550
    47  H    6.087354   5.885489   5.634171   6.946065   6.486954
    48  H    4.398199   4.169395   3.994135   5.337556   5.032902
    49  H    5.758911   5.210572   5.589080   6.720022   6.749312
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787883   0.000000
    33  H    1.798451   1.794055   0.000000
    34  C    2.808912   2.733672   3.419389   0.000000
    35  H    2.835569   3.335948   3.896241   1.103502   0.000000
    36  H    3.838966   3.608560   4.174118   1.097313   1.796529
    37  H    2.950594   2.399960   3.634184   1.099880   1.790353
    38  C    7.875902   6.531860   7.295420   5.823070   6.811352
    39  O    8.449215   7.061854   7.623309   6.622753   7.657006
    40  N    7.098575   5.975517   6.668861   4.795416   5.720347
    41  H    8.155314   6.736093   7.732208   6.106723   7.056768
    42  C    6.927680   6.030454   6.332985   4.702618   5.593057
    43  H    7.220946   6.229204   6.361081   5.313628   6.269796
    44  H    7.722355   6.972196   7.214788   5.350885   6.116186
    45  H    5.952369   5.223653   5.440193   3.728537   4.592464
    46  C    6.748278   5.755775   6.698392   4.202545   4.981137
    47  H    7.163767   6.027409   7.188678   4.759831   5.521398
    48  H    5.683790   4.794284   5.752685   3.106770   3.895752
    49  H    7.373053   6.574998   7.432096   4.662720   5.276469
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796905   0.000000
    38  C    5.143466   5.596961   0.000000
    39  O    5.975593   6.462704   1.242631   0.000000
    40  N    3.983671   4.734433   1.361208   2.317314   0.000000
    41  H    5.506516   5.700891   1.108949   2.057829   2.056324
    42  C    3.805777   4.959284   2.470285   2.868475   1.464673
    43  H    4.537469   5.558219   2.568628   2.466615   2.101766
    44  H    4.346270   5.706426   3.099690   3.464554   2.118953
    45  H    2.835746   4.132269   3.259341   3.755384   2.101351
    46  C    3.389605   4.032336   2.465798   3.636119   1.463030
    47  H    4.113807   4.346025   2.549721   3.791043   2.105094
    48  H    2.345571   2.957862   3.191135   4.273147   2.107818
    49  H    3.723144   4.646989   3.180022   4.286450   2.115438
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417799   0.000000
    43  H    3.651850   1.097396   0.000000
    44  H    3.993330   1.103019   1.798693   0.000000
    45  H    4.087415   1.101000   1.797124   1.788867   0.000000
    46  C    2.558251   2.490014   3.395597   2.904516   2.632206
    47  H    2.151921   3.417907   4.184311   3.866453   3.647770
    48  H    3.344844   2.735934   3.630006   3.304874   2.417807
    49  H    3.305129   2.793228   3.823461   2.780824   2.964568
                   46         47         48         49
    46  C    0.000000
    47  H    1.098992   0.000000
    48  H    1.102824   1.794588   0.000000
    49  H    1.102550   1.797873   1.789619   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2136089      0.1916851      0.1853907
 Leave Link  202 at Mon Nov 14 01:27:01 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.4677378286 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840163781 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.2837214505 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4040
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.42D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     216
 GePol: Fraction of low-weight points (<1% of avg)   =       5.35%
 GePol: Cavity surface area                          =    465.987 Ang**2
 GePol: Cavity volume                                =    458.104 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039822668 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.2797391837 Hartrees.
 Leave Link  301 at Mon Nov 14 01:27:01 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11972 LenP2D=   37509.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.48D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:27:02 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:27:02 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000122   -0.000202    0.001997
         Rot=    1.000000   -0.000097    0.000074   -0.000261 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50900328569    
 Leave Link  401 at Mon Nov 14 01:27:09 2016, MaxMem=  2952790016 cpu:        79.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48964800.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.99D-15 for   1884.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.02D-14 for   2361    929.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   2328.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.59D-11 for   1419   1415.
 E= -1013.45070440511    
 DIIS: error= 4.92D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45070440511     IErMin= 1 ErrMin= 4.92D-04
 ErrMax= 4.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-04 BMatP= 2.87D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.92D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=9.34D-05 MaxDP=3.11D-03              OVMax= 5.64D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.34D-05    CP:  1.00D+00
 E= -1013.45120853139     Delta-E=       -0.000504126278 Rises=F Damp=F
 DIIS: error= 6.20D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45120853139     IErMin= 2 ErrMin= 6.20D-05
 ErrMax= 6.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.18D-06 BMatP= 2.87D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-01 0.984D+00
 Coeff:      0.161D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.50D-05 MaxDP=5.56D-04 DE=-5.04D-04 OVMax= 9.76D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.44D-05    CP:  1.00D+00  9.56D-01
 E= -1013.45120411422     Delta-E=        0.000004417170 Rises=F Damp=F
 DIIS: error= 1.54D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45120853139     IErMin= 2 ErrMin= 6.20D-05
 ErrMax= 1.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.58D-06 BMatP= 4.18D-06
 IDIUse=3 WtCom= 4.46D-01 WtEn= 5.54D-01
 Coeff-Com:  0.160D-02 0.614D+00 0.384D+00
 Coeff-En:   0.000D+00 0.674D+00 0.326D+00
 Coeff:      0.715D-03 0.647D+00 0.352D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.41D-06 MaxDP=4.88D-04 DE= 4.42D-06 OVMax= 9.55D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.67D-06    CP:  1.00D+00  9.67D-01  4.85D-01
 E= -1013.45121139227     Delta-E=       -0.000007278051 Rises=F Damp=F
 DIIS: error= 4.10D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45121139227     IErMin= 4 ErrMin= 4.10D-05
 ErrMax= 4.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 4.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.127D-03 0.282D+00 0.253D+00 0.465D+00
 Coeff:     -0.127D-03 0.282D+00 0.253D+00 0.465D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.42D-06 MaxDP=1.99D-04 DE=-7.28D-06 OVMax= 3.08D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.70D-06    CP:  1.00D+00  9.71D-01  5.02D-01  4.83D-01
 E= -1013.45121222145     Delta-E=       -0.000000829181 Rises=F Damp=F
 DIIS: error= 1.61D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45121222145     IErMin= 5 ErrMin= 1.61D-05
 ErrMax= 1.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-07 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.311D-04 0.159D+00 0.155D+00 0.335D+00 0.351D+00
 Coeff:     -0.311D-04 0.159D+00 0.155D+00 0.335D+00 0.351D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.04D-06 MaxDP=5.89D-05 DE=-8.29D-07 OVMax= 7.71D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.54D-07    CP:  1.00D+00  9.73D-01  4.90D-01  5.23D-01  5.13D-01
 E= -1013.45121237898     Delta-E=       -0.000000157523 Rises=F Damp=F
 DIIS: error= 7.26D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45121237898     IErMin= 6 ErrMin= 7.26D-07
 ErrMax= 7.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.22D-10 BMatP= 1.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.207D-04 0.396D-01 0.403D-01 0.909D-01 0.118D+00 0.711D+00
 Coeff:     -0.207D-04 0.396D-01 0.403D-01 0.909D-01 0.118D+00 0.711D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.20D-07 MaxDP=5.47D-06 DE=-1.58D-07 OVMax= 7.55D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.01D-07    CP:  1.00D+00  9.72D-01  4.93D-01  5.24D-01  5.18D-01
                    CP:  9.16D-01
 E= -1013.45121237960     Delta-E=       -0.000000000625 Rises=F Damp=F
 DIIS: error= 4.52D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45121237960     IErMin= 7 ErrMin= 4.52D-07
 ErrMax= 4.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-10 BMatP= 7.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-04 0.111D-01 0.117D-01 0.272D-01 0.401D-01 0.374D+00
 Coeff-Com:  0.536D+00
 Coeff:     -0.121D-04 0.111D-01 0.117D-01 0.272D-01 0.401D-01 0.374D+00
 Coeff:      0.536D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.78D-08 MaxDP=2.27D-06 DE=-6.25D-10 OVMax= 2.72D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.88D-08    CP:  1.00D+00  9.72D-01  4.93D-01  5.25D-01  5.20D-01
                    CP:  9.18D-01  7.64D-01
 E= -1013.45121237957     Delta-E=        0.000000000030 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45121237960     IErMin= 8 ErrMin= 1.04D-07
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.44D-12 BMatP= 1.47D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.352D-05 0.102D-02 0.124D-02 0.305D-02 0.592D-02 0.895D-01
 Coeff-Com:  0.226D+00 0.674D+00
 Coeff:     -0.352D-05 0.102D-02 0.124D-02 0.305D-02 0.592D-02 0.895D-01
 Coeff:      0.226D+00 0.674D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.05D-08 MaxDP=4.63D-07 DE= 3.05D-11 OVMax= 5.94D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.42D-09    CP:  1.00D+00  9.72D-01  4.93D-01  5.25D-01  5.21D-01
                    CP:  9.25D-01  7.72D-01  7.84D-01
 E= -1013.45121237963     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 5.84D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45121237963     IErMin= 9 ErrMin= 5.84D-08
 ErrMax= 5.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-12 BMatP= 6.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.184D-05 0.304D-03 0.438D-03 0.114D-02 0.269D-02 0.500D-01
 Coeff-Com:  0.140D+00 0.475D+00 0.330D+00
 Coeff:     -0.184D-05 0.304D-03 0.438D-03 0.114D-02 0.269D-02 0.500D-01
 Coeff:      0.140D+00 0.475D+00 0.330D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.34D-09 MaxDP=3.51D-07 DE=-6.46D-11 OVMax= 5.48D-07

 Error on total polarization charges =  0.04285
 SCF Done:  E(RB97D) =  -1013.45121238     A.U. after    9 cycles
            NFock=  9  Conv=0.43D-08     -V/T= 2.0213
 KE= 9.923511803691D+02 PE=-6.026010773044D+03 EE= 2.172928641112D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:28:57 2016, MaxMem=  2952790016 cpu:      1222.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11972 LenP2D=   37509.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 01:29:05 2016, MaxMem=  2952790016 cpu:        96.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:29:05 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:29:42 2016, MaxMem=  2952790016 cpu:       439.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.33928591D+00-2.72145765D+00 3.32653595D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000307362   -0.000203277    0.000068180
      2        6          -0.000080701    0.000158398    0.000166972
      3        8           0.000024890   -0.000007632    0.000021357
      4        7          -0.000098470    0.000083897   -0.000070434
      5        1           0.000050553    0.000047341   -0.000035816
      6        6           0.000017295    0.000032569    0.000020604
      7        1           0.000017132   -0.000010797    0.000036777
      8        1           0.000088250   -0.000119680   -0.000001033
      9        1           0.000043326   -0.000005131    0.000085730
     10        6          -0.000010449    0.000078071    0.000017754
     11        1           0.000010992    0.000076421   -0.000006376
     12        1           0.000020984    0.000015718    0.000015698
     13        1           0.000021392    0.000012601    0.000017744
     14        6           0.000006364   -0.000034150   -0.000048701
     15        8          -0.000024200    0.000008323   -0.000028945
     16        7          -0.000023176   -0.000017882   -0.000040300
     17        1          -0.000015423    0.000003430   -0.000034405
     18        6          -0.000071669   -0.000018512   -0.000022911
     19        1           0.000001086    0.000006352   -0.000056850
     20        1          -0.000007286    0.000011998   -0.000042745
     21        1           0.000025318    0.000061077   -0.000051872
     22        6          -0.000063326    0.000018521   -0.000021393
     23        1           0.000008107    0.000001673   -0.000021815
     24        1          -0.000090407    0.000030914   -0.000002452
     25        1           0.000004750    0.000030452   -0.000027679
     26        6          -0.000019624   -0.000090470    0.000021391
     27        8          -0.000002062   -0.000011245    0.000040181
     28        7          -0.000035909   -0.000031659   -0.000010565
     29        1           0.000046952    0.000002098    0.000047633
     30        6           0.000013516    0.000053547    0.000029348
     31        1          -0.000023757   -0.000039902    0.000001707
     32        1           0.000029094    0.000023413    0.000005272
     33        1          -0.000005762   -0.000002156    0.000002446
     34        6          -0.000024985    0.000000687    0.000055893
     35        1          -0.000021932   -0.000007065    0.000022227
     36        1          -0.000072047   -0.000031406   -0.000047337
     37        1           0.000031161   -0.000048499    0.000030074
     38        6          -0.000076517   -0.000000155   -0.000084352
     39        8          -0.000000775    0.000045957    0.000033795
     40        7          -0.000011813    0.000122819    0.000056877
     41        1           0.000121940   -0.000125024   -0.000087467
     42        6           0.000081412    0.000100414    0.000041827
     43        1           0.000014674   -0.000084187    0.000002662
     44        1          -0.000065699   -0.000023304   -0.000015104
     45        1           0.000031937    0.000061844   -0.000116612
     46        6          -0.000073227    0.000016855    0.000177667
     47        1           0.000002480   -0.000048017   -0.000104397
     48        1          -0.000086751   -0.000125092   -0.000002822
     49        1          -0.000015002   -0.000020147   -0.000037435
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000307362 RMS     0.000061835
 Leave Link  716 at Mon Nov 14 01:29:42 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000137464 RMS     0.000018173
 Search for a local minimum.
 Step number  27 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .18173D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27
 DE= -1.20D-05 DEPred=-3.73D-06 R= 3.22D+00
 TightC=F SS=  1.41D+00  RLast= 1.40D-01 DXNew= 2.2445D+00 4.1991D-01
 Trust test= 3.22D+00 RLast= 1.40D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  0
     Eigenvalues ---    0.00035   0.00066   0.00122   0.00194   0.00352
     Eigenvalues ---    0.00357   0.00432   0.00448   0.00611   0.00673
     Eigenvalues ---    0.00706   0.00761   0.00780   0.00885   0.00919
     Eigenvalues ---    0.00979   0.01026   0.01053   0.01137   0.01218
     Eigenvalues ---    0.01302   0.01312   0.01375   0.01427   0.01535
     Eigenvalues ---    0.01551   0.01628   0.01723   0.01787   0.01797
     Eigenvalues ---    0.01840   0.01878   0.01947   0.01998   0.02014
     Eigenvalues ---    0.02110   0.02206   0.02252   0.02403   0.02607
     Eigenvalues ---    0.02669   0.03028   0.03071   0.03406   0.03711
     Eigenvalues ---    0.04153   0.04390   0.04710   0.04887   0.05457
     Eigenvalues ---    0.05677   0.05794   0.06061   0.06248   0.06452
     Eigenvalues ---    0.06611   0.06934   0.07254   0.07388   0.07551
     Eigenvalues ---    0.07899   0.07925   0.08187   0.08253   0.08408
     Eigenvalues ---    0.08495   0.08568   0.08797   0.08811   0.08941
     Eigenvalues ---    0.09091   0.09234   0.09729   0.09812   0.09889
     Eigenvalues ---    0.10040   0.10062   0.10220   0.10331   0.10508
     Eigenvalues ---    0.10576   0.10601   0.10700   0.11193   0.11281
     Eigenvalues ---    0.11332   0.11625   0.12170   0.12244   0.13448
     Eigenvalues ---    0.13555   0.14050   0.14623   0.15212   0.15518
     Eigenvalues ---    0.15656   0.16459   0.22042   0.23180   0.23605
     Eigenvalues ---    0.24000   0.24465   0.25065   0.25847   0.26564
     Eigenvalues ---    0.27031   0.27837   0.28610   0.29310   0.29730
     Eigenvalues ---    0.29908   0.29985   0.32718   0.32734   0.32822
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33376   0.33383
     Eigenvalues ---    0.33416   0.33424   0.33454   0.33543   0.33691
     Eigenvalues ---    0.33792   0.33831   0.33835   0.33915   0.33931
     Eigenvalues ---    0.33991   0.34004   0.34147   0.37279   0.39392
     Eigenvalues ---    0.40603   0.41426   0.85936   0.85997   0.86095
     Eigenvalues ---    0.87316
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    27   26   25   24   23
 RFO step:  Lambda=-1.00684471D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  7.29D-06 SmlDif=  1.00D-05
 RMS Error=  0.8144136507D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.89870   -1.89495    1.06388   -0.59434    0.52672
 Iteration  1 RMS(Cart)=  0.00206145 RMS(Int)=  0.00002954
 Iteration  2 RMS(Cart)=  0.00000392 RMS(Int)=  0.00002932
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002932
 ITry= 1 IFail=0 DXMaxC= 1.94D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.61134  -0.00002  -0.00111  -0.00191  -0.00304   6.60830
    R2        6.25149   0.00000   0.00107   0.00048   0.00162   6.25311
    R3        7.16689   0.00000   0.00091   0.00248   0.00364   7.17053
    R4        6.21264  -0.00005  -0.00007   0.00113   0.00082   6.21345
    R5        6.54852  -0.00002  -0.00123  -0.00190  -0.00305   6.54547
    R6        5.93964   0.00001   0.00195   0.00038   0.00230   5.94194
    R7        6.71488  -0.00002  -0.00123  -0.00039  -0.00162   6.71326
    R8        6.22597   0.00001   0.00011   0.00015   0.00026   6.22623
    R9        6.64771  -0.00001  -0.00044  -0.00006  -0.00049   6.64722
   R10        6.05793   0.00001   0.00167   0.00122   0.00289   6.06082
   R11        6.96292   0.00002  -0.00001   0.00046   0.00044   6.96337
   R12        6.02223   0.00001   0.00062   0.00116   0.00178   6.02402
   R13        6.89174  -0.00002   0.00191  -0.00082   0.00108   6.89283
   R14        6.19902   0.00000   0.00056  -0.00027   0.00028   6.19930
   R15        6.87175   0.00003   0.00029  -0.00020   0.00008   6.87183
   R16        5.95686   0.00001  -0.00037  -0.00031  -0.00067   5.95619
   R17        6.69859  -0.00002  -0.00027  -0.00021  -0.00047   6.69812
   R18        6.68814  -0.00010  -0.01387  -0.00166  -0.01553   6.67261
   R19        6.21095  -0.00002  -0.00054   0.00121   0.00069   6.21164
   R20        6.66720   0.00003   0.00327  -0.00041   0.00287   6.67007
   R21        6.00706   0.00004  -0.00155   0.00125  -0.00029   6.00678
   R22        6.90222   0.00000  -0.00452   0.00315  -0.00137   6.90086
   R23        5.95225   0.00002   0.00004   0.00094   0.00099   5.95324
   R24        2.34910   0.00002   0.00004   0.00003   0.00007   2.34917
   R25        2.57221  -0.00003  -0.00002  -0.00009  -0.00009   2.57213
   R26        2.09490  -0.00001  -0.00003   0.00000  -0.00003   2.09488
   R27        2.76547  -0.00001  -0.00016  -0.00002  -0.00030   2.76518
   R28        2.76773   0.00002   0.00000   0.00012   0.00004   2.76778
   R29        2.07679  -0.00002  -0.00001  -0.00005  -0.00006   2.07674
   R30        2.08255   0.00001   0.00016  -0.00006  -0.00007   2.08248
   R31        2.08265  -0.00001  -0.00002  -0.00010  -0.00011   2.08253
   R32        2.08061   0.00000   0.00013  -0.00004   0.00007   2.08067
   R33        2.07444   0.00000   0.00002  -0.00001   0.00001   2.07445
   R34        2.08345   0.00000  -0.00001  -0.00002  -0.00003   2.08342
   R35        2.34869   0.00000   0.00004   0.00001   0.00004   2.34874
   R36        2.57154   0.00000   0.00001  -0.00003  -0.00004   2.57150
   R37        2.09380   0.00000  -0.00001   0.00000  -0.00001   2.09380
   R38        2.76840   0.00000  -0.00001   0.00006   0.00005   2.76845
   R39        2.76508  -0.00004  -0.00004   0.00000  -0.00007   2.76501
   R40        2.08162   0.00000   0.00002  -0.00003  -0.00003   2.08159
   R41        2.08400   0.00000   0.00001  -0.00002  -0.00001   2.08400
   R42        2.07456   0.00001   0.00003  -0.00002   0.00001   2.07457
   R43        2.08323   0.00000   0.00001  -0.00001   0.00000   2.08323
   R44        2.08389   0.00002  -0.00003   0.00008   0.00009   2.08398
   R45        2.07677   0.00000   0.00000   0.00000   0.00000   2.07677
   R46        2.34808   0.00001   0.00001   0.00000   0.00001   2.34809
   R47        2.57208  -0.00002  -0.00007  -0.00003  -0.00011   2.57197
   R48        2.09361   0.00000   0.00001   0.00000   0.00001   2.09361
   R49        2.76492  -0.00003  -0.00014   0.00004  -0.00010   2.76483
   R50        2.76825   0.00001   0.00000   0.00008   0.00007   2.76832
   R51        2.08442   0.00000   0.00001   0.00001   0.00002   2.08444
   R52        2.08200  -0.00001  -0.00005   0.00002  -0.00004   2.08197
   R53        2.07588   0.00000   0.00002   0.00000   0.00002   2.07590
   R54        2.08532   0.00000  -0.00002   0.00000  -0.00002   2.08530
   R55        2.07362   0.00000  -0.00002   0.00002   0.00000   2.07362
   R56        2.07847  -0.00002  -0.00002  -0.00003  -0.00005   2.07842
   R57        2.34823  -0.00001  -0.00002  -0.00001  -0.00003   2.34820
   R58        2.57231   0.00004   0.00028  -0.00002   0.00026   2.57258
   R59        2.09561  -0.00001  -0.00002  -0.00006  -0.00007   2.09554
   R60        2.76783   0.00001   0.00017  -0.00009   0.00008   2.76791
   R61        2.76473   0.00004   0.00042  -0.00019   0.00021   2.76493
   R62        2.07378  -0.00001  -0.00003  -0.00011  -0.00014   2.07363
   R63        2.08440  -0.00003  -0.00010  -0.00002  -0.00011   2.08429
   R64        2.08059   0.00001   0.00032  -0.00002   0.00027   2.08086
   R65        2.07679   0.00000   0.00004  -0.00002   0.00003   2.07682
   R66        2.08404   0.00001   0.00018  -0.00004   0.00011   2.08415
   R67        2.08352  -0.00003  -0.00012  -0.00002  -0.00014   2.08338
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    A2        0.96315   0.00000  -0.00028  -0.00035  -0.00061   0.96254
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    A4        1.01851   0.00001   0.00006   0.00022   0.00029   1.01879
    A5        2.32077   0.00002   0.00057   0.00043   0.00099   2.32176
    A6        2.00027   0.00001   0.00040   0.00041   0.00081   2.00108
    A7        1.95704   0.00000   0.00012   0.00032   0.00044   1.95748
    A8        1.66455   0.00000  -0.00015   0.00020   0.00005   1.66460
    A9        1.63142   0.00002   0.00047   0.00045   0.00093   1.63234
   A10        1.34912   0.00002   0.00049   0.00046   0.00094   1.35006
   A11        1.73839   0.00001   0.00029  -0.00003   0.00028   1.73867
   A12        2.03776   0.00001   0.00041   0.00019   0.00062   2.03837
   A13        1.93469   0.00002   0.00076   0.00042   0.00119   1.93588
   A14        2.01667   0.00002   0.00086   0.00044   0.00130   2.01797
   A15        2.43576   0.00001   0.00022   0.00005   0.00029   2.43605
   A16        1.55731  -0.00003  -0.00252  -0.00014  -0.00266   1.55465
   A17        1.77954  -0.00003  -0.00202  -0.00047  -0.00248   1.77705
   A18        1.58752  -0.00003  -0.00131  -0.00083  -0.00211   1.58541
   A19        1.72015  -0.00004  -0.00157  -0.00074  -0.00228   1.71787
   A20        2.19115  -0.00002  -0.00166  -0.00070  -0.00235   2.18880
   A21        2.41501  -0.00001  -0.00219  -0.00071  -0.00287   2.41214
   A22        0.65165  -0.00001  -0.00015  -0.00019  -0.00033   0.65132
   A23        0.66204   0.00000  -0.00015  -0.00003  -0.00019   0.66185
   A24        2.38060   0.00001   0.00027   0.00007   0.00033   2.38093
   A25        2.20095   0.00001   0.00018   0.00018   0.00035   2.20130
   A26        2.29898   0.00000   0.00003   0.00025   0.00028   2.29927
   A27        2.03532  -0.00001  -0.00028   0.00015  -0.00012   2.03520
   A28        1.79408   0.00002   0.00018   0.00021   0.00039   1.79447
   A29        1.54969   0.00002   0.00031   0.00030   0.00060   1.55029
   A30        1.34362   0.00002   0.00034  -0.00003   0.00031   1.34393
   A31        1.64092   0.00002   0.00032   0.00005   0.00036   1.64128
   A32        1.58855   0.00002   0.00042   0.00007   0.00048   1.58903
   A33        1.73834   0.00002   0.00037  -0.00001   0.00036   1.73870
   A34        2.03808   0.00002   0.00026   0.00003   0.00028   2.03837
   A35        1.79316  -0.00002  -0.00202   0.00051  -0.00150   1.79166
   A36        1.88457  -0.00002  -0.00168   0.00017  -0.00150   1.88307
   A37        1.55903  -0.00002  -0.00106  -0.00009  -0.00114   1.55789
   A38        1.57451  -0.00003  -0.00128  -0.00009  -0.00135   1.57316
   A39        2.26159  -0.00001  -0.00107  -0.00022  -0.00128   2.26032
   A40        2.35800   0.00001  -0.00199   0.00001  -0.00197   2.35603
   A41        0.69512  -0.00001  -0.00012  -0.00015  -0.00026   0.69486
   A42        0.75848  -0.00002  -0.00051  -0.00047  -0.00099   0.75749
   A43        2.66066   0.00000  -0.00008  -0.00035  -0.00044   2.66023
   A44        2.58815   0.00001   0.00001  -0.00007  -0.00006   2.58809
   A45        2.64045   0.00000   0.00006   0.00025   0.00031   2.64076
   A46        2.33563   0.00000  -0.00007   0.00023   0.00015   2.33578
   A47        2.18068   0.00001   0.00002  -0.00004  -0.00001   2.18067
   A48        1.94206   0.00001   0.00020   0.00010   0.00029   1.94235
   A49        1.10836   0.00000   0.00001  -0.00033  -0.00033   1.10803
   A50        1.46852   0.00000  -0.00013  -0.00032  -0.00045   1.46808
   A51        1.57126   0.00000  -0.00015  -0.00041  -0.00056   1.57069
   A52        1.80634  -0.00001  -0.00022  -0.00049  -0.00072   1.80562
   A53        1.79241   0.00000  -0.00014  -0.00025  -0.00039   1.79202
   A54        1.62467   0.00000  -0.00126   0.00114  -0.00010   1.62456
   A55        1.59199  -0.00001  -0.00127   0.00068  -0.00058   1.59141
   A56        1.21262  -0.00001  -0.00082   0.00041  -0.00040   1.21223
   A57        1.18769  -0.00003  -0.00109   0.00022  -0.00087   1.18682
   A58        1.91793   0.00001  -0.00065   0.00015  -0.00048   1.91744
   A59        1.97119   0.00001  -0.00181   0.00030  -0.00150   1.96969
   A60        0.85054  -0.00002  -0.00002   0.00013   0.00016   0.85071
   A61        0.79541  -0.00003  -0.00041  -0.00011  -0.00049   0.79492
   A62        2.61396  -0.00002  -0.00002   0.00011   0.00014   2.61410
   A63        2.76579  -0.00001  -0.00006   0.00014   0.00016   2.76595
   A64        2.59356   0.00001  -0.00021  -0.00010  -0.00029   2.59327
   A65        2.38589   0.00000  -0.00006   0.00014   0.00016   2.38605
   A66        2.18421   0.00000   0.00012   0.00020   0.00039   2.18459
   A67        0.87270  -0.00001   0.00008  -0.00002   0.00007   0.87277
   A68        1.24917  -0.00001  -0.00008   0.00002  -0.00003   1.24914
   A69        1.43395  -0.00002  -0.00016  -0.00004  -0.00016   1.43378
   A70        1.70541  -0.00003  -0.00025  -0.00009  -0.00030   1.70511
   A71        1.53223  -0.00001  -0.00004   0.00003   0.00000   1.53224
   A72        1.62602   0.00003  -0.00089   0.00084  -0.00009   1.62593
   A73        1.48889   0.00001  -0.00110   0.00046  -0.00066   1.48822
   A74        1.07174   0.00001  -0.00079   0.00037  -0.00045   1.07129
   A75        0.97430  -0.00001  -0.00099   0.00026  -0.00075   0.97355
   A76        1.74483   0.00002  -0.00042  -0.00001  -0.00046   1.74437
   A77        1.74130   0.00003  -0.00168   0.00031  -0.00140   1.73991
   A78        1.98780   0.00001   0.00015  -0.00012   0.00001   1.98781
   A79        1.92485   0.00001   0.00002  -0.00003  -0.00003   1.92482
   A80        2.20055   0.00001  -0.00011   0.00005  -0.00007   2.20048
   A81        2.05765   0.00000  -0.00056  -0.00006  -0.00062   2.05703
   A82        1.53567   0.00002  -0.00001   0.00002   0.00000   1.53567
   A83        1.36357   0.00002   0.00018   0.00019   0.00035   1.36392
   A84        1.18929   0.00001   0.00070   0.00030   0.00101   1.19030
   A85        1.37520   0.00001   0.00069   0.00029   0.00098   1.37618
   A86        1.20991   0.00001   0.00065   0.00017   0.00081   1.21072
   A87        1.31748   0.00001   0.00048  -0.00003   0.00044   1.31792
   A88        1.80093   0.00001   0.00070   0.00031   0.00102   1.80194
   A89        2.22618  -0.00002  -0.00204   0.00059  -0.00143   2.22475
   A90        2.28415  -0.00002  -0.00147   0.00046  -0.00098   2.28317
   A91        1.90334  -0.00002  -0.00090   0.00036  -0.00050   1.90284
   A92        1.82051  -0.00003  -0.00095   0.00045  -0.00047   1.82004
   A93        2.59533   0.00000  -0.00046   0.00011  -0.00032   2.59501
   A94        2.53631   0.00001  -0.00123   0.00058  -0.00064   2.53567
   A95        1.90392   0.00001   0.00042   0.00011   0.00054   1.90446
   A96        1.97477   0.00002   0.00040   0.00028   0.00068   1.97544
   A97        2.34801   0.00002   0.00033   0.00035   0.00070   2.34871
   A98        2.30043   0.00000  -0.00021   0.00023   0.00004   2.30047
   A99        1.64304   0.00002   0.00035   0.00037   0.00073   1.64377
   A100       1.54312   0.00003   0.00057   0.00057   0.00114   1.54427
   A101       0.88456   0.00000   0.00048   0.00011   0.00059   0.88515
   A102       1.05547   0.00001   0.00056   0.00015   0.00072   1.05618
   A103       0.92763   0.00001   0.00059   0.00011   0.00070   0.92833
   A104       1.08990   0.00001   0.00046   0.00000   0.00046   1.09036
   A105       1.48105   0.00001   0.00057   0.00018   0.00075   1.48180
   A106       2.38315  -0.00001  -0.00177   0.00068  -0.00110   2.38205
   A107       2.27953  -0.00002  -0.00140   0.00037  -0.00103   2.27851
   A108       1.85421  -0.00002  -0.00113   0.00034  -0.00079   1.85342
   A109       1.68198  -0.00003  -0.00110   0.00034  -0.00076   1.68122
   A110       2.43741   0.00000  -0.00018  -0.00006  -0.00024   2.43717
   A111       2.27603   0.00001  -0.00109   0.00040  -0.00070   2.27534
   A112       0.71296   0.00000   0.00009   0.00003   0.00013   0.71309
   A113       1.00490   0.00000   0.00003  -0.00001   0.00003   1.00493
   A114       0.69470   0.00000   0.00007  -0.00002   0.00005   0.69475
   A115       0.98196   0.00000   0.00008   0.00000   0.00008   0.98204
   A116       1.79735  -0.00001   0.00006   0.00025   0.00031   1.79766
   A117       1.41756   0.00000   0.00020   0.00021   0.00041   1.41796
   A118       1.18217   0.00000   0.00018   0.00017   0.00035   1.18253
   A119       0.90870   0.00001   0.00023   0.00020   0.00042   0.90913
   A120       1.24612   0.00000   0.00027   0.00026   0.00053   1.24665
   A121       1.99514   0.00000   0.00127  -0.00081   0.00046   1.99560
   A122       2.00907   0.00001   0.00137  -0.00029   0.00108   2.01014
   A123       2.33613   0.00001   0.00077   0.00012   0.00089   2.33702
   A124       2.24222   0.00002   0.00099   0.00031   0.00130   2.24352
   A125       1.64068  -0.00001   0.00082   0.00016   0.00097   1.64166
   A126       1.50497  -0.00001   0.00173   0.00006   0.00179   1.50675
   A127       0.65696   0.00000  -0.00013  -0.00007  -0.00020   0.65677
   A128       0.66191  -0.00001  -0.00010  -0.00007  -0.00016   0.66174
   A129       2.15464   0.00000   0.00021   0.00038   0.00059   2.15523
   A130       1.78482   0.00000   0.00035   0.00032   0.00066   1.78549
   A131       1.48702   0.00001   0.00039   0.00035   0.00073   1.48775
   A132       1.19481   0.00001   0.00045   0.00035   0.00080   1.19561
   A133       1.63887   0.00000   0.00033   0.00027   0.00061   1.63948
   A134       1.85393  -0.00001   0.00057  -0.00107  -0.00051   1.85342
   A135       2.02736   0.00000   0.00107  -0.00062   0.00044   2.02781
   A136       2.44552   0.00000   0.00079  -0.00049   0.00031   2.44583
   A137       2.50704   0.00002   0.00106  -0.00013   0.00095   2.50798
   A138       1.76122  -0.00001   0.00054  -0.00005   0.00048   1.76170
   A139       1.72310  -0.00002   0.00179  -0.00023   0.00156   1.72467
   A140       0.70505  -0.00001  -0.00001  -0.00002  -0.00003   0.70502
   A141       0.83716  -0.00001  -0.00028  -0.00015  -0.00043   0.83673
   A142       2.49475   0.00000   0.00005   0.00017   0.00022   2.49498
   A143       2.11467   0.00000   0.00021   0.00013   0.00034   2.11501
   A144       1.88800   0.00001   0.00032   0.00027   0.00060   1.88859
   A145       1.60250   0.00001   0.00040   0.00031   0.00071   1.60322
   A146       1.84215   0.00000   0.00013   0.00002   0.00014   1.84229
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   A148       1.64538   0.00000   0.00085  -0.00075   0.00010   1.64547
   A149       2.07272   0.00000   0.00070  -0.00076  -0.00006   2.07266
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   A152       1.53346  -0.00002   0.00160  -0.00054   0.00105   1.53451
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   A158       1.84860   0.00001   0.00031   0.00029   0.00061   1.84920
   A159       2.15434   0.00000   0.00021   0.00003   0.00025   2.15459
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   A163       2.25488   0.00001   0.00091  -0.00075   0.00015   2.25504
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   A165       1.68689  -0.00001   0.00166  -0.00055   0.00111   1.68799
   A166       2.13317   0.00001   0.00044   0.00059   0.00103   2.13420
   A167       1.83977   0.00000   0.00056   0.00053   0.00108   1.84085
   A168       1.45214   0.00001   0.00060   0.00054   0.00113   1.45327
   A169       1.17480   0.00002   0.00063   0.00048   0.00111   1.17591
   A170       1.85650   0.00000   0.00053   0.00047   0.00098   1.85749
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   A172       2.34291  -0.00001   0.00069  -0.00081  -0.00012   2.34279
   A173       2.76240  -0.00001   0.00053  -0.00095  -0.00040   2.76201
   A174       2.15172  -0.00002   0.00040  -0.00015   0.00024   2.15197
   A175       2.13058  -0.00002   0.00179  -0.00025   0.00153   2.13212
   A176       2.23118   0.00002   0.00086   0.00083   0.00170   2.23287
   A177       2.01830   0.00001   0.00092   0.00078   0.00169   2.02000
   A178       1.60734   0.00002   0.00097   0.00078   0.00174   1.60908
   A179       1.36015   0.00002   0.00095   0.00066   0.00160   1.36175
   A180       2.11652   0.00001   0.00076   0.00064   0.00140   2.11792
   A181       1.98405  -0.00003  -0.00114  -0.00128  -0.00241   1.98163
   A182       2.34673  -0.00002  -0.00020  -0.00107  -0.00127   2.34546
   A183       2.66910  -0.00002  -0.00025  -0.00128  -0.00152   2.66758
   A184       2.29900  -0.00003  -0.00023  -0.00046  -0.00067   2.29832
   A185       2.35739  -0.00003   0.00147  -0.00054   0.00095   2.35835
   A186       0.69082  -0.00001  -0.00016   0.00004  -0.00012   0.69070
   A187       0.98135  -0.00001  -0.00021   0.00007  -0.00015   0.98120
   A188       0.69880   0.00000  -0.00013   0.00004  -0.00009   0.69872
   A189       2.06579   0.00001   0.00018   0.00048   0.00065   2.06644
   A190       1.70132   0.00000  -0.00054   0.00023  -0.00032   1.70101
   A191       1.35760   0.00001  -0.00078   0.00048  -0.00031   1.35729
   A192       1.05790   0.00000  -0.00067   0.00041  -0.00027   1.05764
   A193       1.62026   0.00001  -0.00008  -0.00013  -0.00021   1.62005
   A194       1.40122   0.00001  -0.00130   0.00029  -0.00100   1.40021
   A195       0.66656  -0.00001  -0.00007   0.00007   0.00000   0.66656
   A196       2.23274   0.00001   0.00073   0.00023   0.00095   2.23369
   A197       1.83803   0.00000  -0.00014   0.00013  -0.00002   1.83801
   A198       1.59578   0.00001  -0.00066   0.00050  -0.00018   1.59561
   A199       1.28280   0.00001  -0.00041   0.00044   0.00002   1.28282
   A200       1.61421   0.00001   0.00019  -0.00011   0.00008   1.61429
   A201       1.33991   0.00001  -0.00069   0.00025  -0.00044   1.33947
   A202       0.70922   0.00000   0.00000   0.00008   0.00009   0.70931
   A203       2.62991   0.00001   0.00094   0.00011   0.00105   2.63096
   A204       2.23868  -0.00001  -0.00002   0.00011   0.00009   2.23877
   A205       2.00611   0.00000  -0.00075   0.00052  -0.00024   2.00588
   A206       1.69323   0.00000  -0.00051   0.00045  -0.00006   1.69316
   A207       1.95565   0.00000   0.00032  -0.00005   0.00027   1.95592
   A208       1.66635   0.00000  -0.00027   0.00025  -0.00002   1.66634
   A209       0.83322   0.00000   0.00002   0.00019   0.00022   0.83343
   A210       2.70317   0.00001   0.00157  -0.00023   0.00135   2.70452
   A211       2.37800   0.00000   0.00047   0.00011   0.00057   2.37857
   A212       2.25056   0.00000  -0.00060   0.00058  -0.00004   2.25052
   A213       1.94070   0.00000  -0.00035   0.00052   0.00016   1.94086
   A214       2.01288   0.00000   0.00055   0.00011   0.00066   2.01354
   A215       1.72894   0.00000   0.00030   0.00032   0.00061   1.72956
   A216       1.92986   0.00001   0.00113  -0.00009   0.00103   1.93089
   A217       1.55485   0.00000   0.00024  -0.00005   0.00019   1.55504
   A218       1.45466   0.00001  -0.00035   0.00037   0.00000   1.45467
   A219       1.17118   0.00001   0.00005   0.00031   0.00034   1.17152
   A220       1.24676   0.00000   0.00031  -0.00014   0.00016   1.24693
   A221       0.95850   0.00000  -0.00035   0.00018  -0.00018   0.95832
   A222       0.71414   0.00001   0.00080   0.00009   0.00089   0.71503
   A223       1.00789   0.00001   0.00085   0.00007   0.00092   1.00881
   A224       0.69925   0.00001   0.00092  -0.00015   0.00077   0.70002
   A225       0.98836   0.00001   0.00130  -0.00037   0.00092   0.98928
   A226       0.66123   0.00000   0.00010  -0.00010   0.00001   0.66124
   A227       0.66596   0.00001   0.00018  -0.00026  -0.00009   0.66587
   A228       0.70743   0.00002   0.00012  -0.00020  -0.00008   0.70735
   A229       0.83705   0.00002  -0.00093   0.00013  -0.00083   0.83623
   A230       0.77946   0.00003   0.00064  -0.00035   0.00028   0.77974
   A231       0.78396   0.00004  -0.00070   0.00010  -0.00061   0.78336
   A232       1.61215  -0.00004  -0.00166  -0.00156  -0.00327   1.60888
   A233       1.84582   0.00004   0.00117   0.00191   0.00307   1.84889
   A234       2.19151  -0.00003  -0.00005  -0.00019  -0.00024   2.19127
   A235       2.12881   0.00001   0.00003   0.00018   0.00013   2.12894
   A236       1.96245   0.00002   0.00002   0.00005   0.00014   1.96260
   A237       2.12180   0.00002  -0.00004  -0.00004  -0.00013   2.12166
   A238       2.12540   0.00003   0.00006   0.00023   0.00031   2.12572
   A239       2.03494  -0.00005  -0.00011  -0.00024  -0.00032   2.03462
   A240       1.83661  -0.00002   0.00110   0.00188   0.00298   1.83960
   A241       2.53583  -0.00001  -0.00117  -0.00214  -0.00321   2.53262
   A242       1.91277  -0.00005   0.00033  -0.00029  -0.00019   1.91258
   A243       1.91932  -0.00003  -0.00033  -0.00039  -0.00061   1.91871
   A244       1.91700   0.00002  -0.00002   0.00006   0.00043   1.91742
   A245       1.90794   0.00005  -0.00010   0.00033   0.00034   1.90828
   A246       1.90810   0.00003  -0.00006   0.00029   0.00019   1.90829
   A247       1.89857  -0.00002   0.00018   0.00001  -0.00015   1.89842
   A248       1.32393  -0.00002  -0.00242  -0.00185  -0.00429   1.31965
   A249       1.90677   0.00001  -0.00004   0.00002   0.00002   1.90679
   A250       1.90842  -0.00001   0.00007   0.00009   0.00013   1.90855
   A251       1.92691   0.00000   0.00007   0.00000   0.00006   1.92697
   A252       1.91071   0.00001  -0.00009   0.00000  -0.00008   1.91063
   A253       1.89642  -0.00001   0.00007  -0.00001   0.00004   1.89646
   A254       1.91450   0.00000  -0.00009  -0.00010  -0.00018   1.91432
   A255       1.72180  -0.00003  -0.00070  -0.00017  -0.00088   1.72092
   A256       1.77361   0.00000   0.00035  -0.00006   0.00028   1.77389
   A257       2.19073  -0.00002  -0.00008  -0.00004  -0.00012   2.19061
   A258       2.12991   0.00001   0.00003   0.00004   0.00006   2.12998
   A259       1.96234   0.00001   0.00005   0.00000   0.00006   1.96240
   A260       2.12334   0.00001   0.00000   0.00002   0.00001   2.12336
   A261       2.12422   0.00000   0.00010  -0.00002   0.00006   2.12428
   A262       2.03552  -0.00001  -0.00011   0.00000  -0.00009   2.03543
   A263       1.35198  -0.00005  -0.00135  -0.00086  -0.00221   1.34977
   A264       1.90057  -0.00001  -0.00017  -0.00003  -0.00018   1.90039
   A265       1.93149   0.00001   0.00009  -0.00001   0.00008   1.93156
   A266       1.90985  -0.00002   0.00008   0.00001   0.00009   1.90994
   A267       1.89789   0.00000   0.00001   0.00003   0.00004   1.89793
   A268       1.91298  -0.00001   0.00004  -0.00010  -0.00007   1.91291
   A269       1.91094   0.00003  -0.00005   0.00009   0.00004   1.91097
   A270       2.65094   0.00002   0.00080   0.00058   0.00138   2.65232
   A271       1.71264  -0.00002  -0.00092  -0.00052  -0.00144   1.71120
   A272       1.92390   0.00001   0.00017  -0.00004   0.00013   1.92403
   A273       1.91503  -0.00001  -0.00023  -0.00005  -0.00026   1.91477
   A274       1.91385  -0.00002   0.00003  -0.00004   0.00000   1.91385
   A275       1.89400   0.00000  -0.00012   0.00007  -0.00005   1.89395
   A276       1.91071   0.00000   0.00010   0.00000   0.00009   1.91080
   A277       1.90613   0.00001   0.00005   0.00006   0.00010   1.90623
   A278       1.81185  -0.00001   0.00019   0.00006   0.00026   1.81210
   A279       1.74946   0.00004   0.00013   0.00014   0.00027   1.74972
   A280       2.19029   0.00000  -0.00002  -0.00001  -0.00002   2.19027
   A281       2.13041  -0.00001  -0.00007   0.00006  -0.00002   2.13040
   A282       1.96239   0.00001   0.00009  -0.00004   0.00004   1.96243
   A283       2.12261  -0.00001  -0.00008  -0.00007  -0.00014   2.12247
   A284       2.11719  -0.00001  -0.00007  -0.00011  -0.00019   2.11700
   A285       2.03992   0.00002   0.00013   0.00019   0.00033   2.04025
   A286       2.69601  -0.00001  -0.00053  -0.00017  -0.00070   2.69531
   A287       1.66374   0.00000   0.00024   0.00020   0.00044   1.66418
   A288       1.92537   0.00000   0.00021   0.00000   0.00021   1.92558
   A289       1.91521  -0.00001  -0.00009   0.00012   0.00002   1.91523
   A290       1.91278   0.00001   0.00004  -0.00002   0.00002   1.91281
   A291       1.89142   0.00000  -0.00035   0.00003  -0.00033   1.89109
   A292       1.91206   0.00001   0.00017  -0.00003   0.00014   1.91220
   A293       1.90679  -0.00001   0.00003  -0.00010  -0.00008   1.90671
   A294       1.36983  -0.00005  -0.00124  -0.00065  -0.00189   1.36795
   A295       1.14056   0.00004   0.00059   0.00064   0.00122   1.14178
   A296       1.93188   0.00001   0.00008   0.00011   0.00017   1.93205
   A297       1.90757  -0.00001  -0.00013   0.00001  -0.00010   1.90746
   A298       1.90214   0.00002  -0.00019   0.00006  -0.00006   1.90207
   A299       1.90995   0.00002  -0.00001  -0.00011  -0.00013   1.90982
   A300       1.89702  -0.00002   0.00024   0.00000   0.00023   1.89725
   A301       1.91522  -0.00001   0.00001  -0.00006  -0.00010   1.91512
   A302       1.72330   0.00002   0.00070  -0.00177  -0.00108   1.72222
   A303       1.76732  -0.00014  -0.00662   0.00067  -0.00596   1.76136
   A304       2.19345   0.00000   0.00007   0.00016   0.00025   2.19370
   A305       2.12942   0.00004   0.00023  -0.00007   0.00009   2.12952
   A306       1.96009  -0.00003  -0.00032  -0.00010  -0.00038   1.95971
   A307       2.12668  -0.00001   0.00066  -0.00004   0.00062   2.12730
   A308       2.12226  -0.00004  -0.00049  -0.00005  -0.00056   2.12170
   A309       2.03387   0.00005  -0.00034   0.00006  -0.00030   2.03357
   A310       1.40799  -0.00005   0.00328  -0.00144   0.00184   1.40983
   A311       2.94670   0.00004  -0.00411   0.00164  -0.00247   2.94423
   A312       1.90942  -0.00002  -0.00029  -0.00016  -0.00045   1.90897
   A313       1.92743   0.00002   0.00073  -0.00018   0.00052   1.92795
   A314       1.90509   0.00001  -0.00030   0.00023  -0.00005   1.90505
   A315       1.91388   0.00001   0.00062  -0.00016   0.00046   1.91434
   A316       1.91401  -0.00006  -0.00003  -0.00003  -0.00008   1.91393
   A317       1.89390   0.00004  -0.00074   0.00031  -0.00042   1.89349
   A318       1.69679  -0.00006  -0.00600   0.00212  -0.00388   1.69291
   A319       1.91435   0.00000  -0.00029   0.00001  -0.00028   1.91407
   A320       1.91411   0.00000   0.00024  -0.00041  -0.00019   1.91393
   A321       1.92501  -0.00001  -0.00012   0.00009  -0.00003   1.92499
   A322       1.90563  -0.00005  -0.00049   0.00020  -0.00029   1.90534
   A323       1.91114   0.00004   0.00037   0.00009   0.00046   1.91160
   A324       1.89336   0.00002   0.00029   0.00003   0.00032   1.89369
   A325       2.92019   0.00000  -0.00016  -0.00003  -0.00016   2.92002
   A326       3.35157  -0.00002  -0.00110  -0.00028  -0.00136   3.35021
   A327       3.06928  -0.00002  -0.00108  -0.00028  -0.00135   3.06793
   A328       3.23843  -0.00001  -0.00250  -0.00194  -0.00446   3.23397
   A329       3.26292  -0.00002  -0.00141  -0.00077  -0.00217   3.26075
   A330       3.27978  -0.00004  -0.00125  -0.00077  -0.00202   3.27777
   A331       3.60793  -0.00002  -0.00562   0.00220  -0.00342   3.60451
   A332       3.22425  -0.00003  -0.00013   0.00013   0.00005   3.22431
   A333       3.05496  -0.00001   0.00021  -0.00105  -0.00084   3.05412
   A334       2.99675  -0.00001  -0.00002  -0.00122  -0.00123   2.99552
   A335       3.23720   0.00000  -0.00031  -0.00007  -0.00037   3.23683
   A336       3.07612   0.00000   0.00040   0.00031   0.00071   3.07683
   A337       3.09785   0.00001   0.00027   0.00031   0.00057   3.09842
   A338       3.03484   0.00002   0.00070  -0.00023   0.00046   3.03530
    D1        2.75893  -0.00003   0.00042   0.00011   0.00054   2.75947
    D2       -1.35627  -0.00003   0.00000   0.00018   0.00022  -1.35606
    D3        2.78398  -0.00004   0.00088   0.00096   0.00189   2.78587
    D4       -1.33122  -0.00004   0.00046   0.00104   0.00156  -1.32966
    D5        1.65384  -0.00001   0.00070   0.00050   0.00118   1.65501
    D6       -2.46136   0.00000   0.00029   0.00058   0.00085  -2.46051
    D7        1.82329   0.00000   0.00135   0.00110   0.00245   1.82574
    D8       -2.29190   0.00001   0.00094   0.00117   0.00212  -2.28978
    D9        0.30165  -0.00001   0.00102   0.00100   0.00202   0.30367
   D10        2.46964  -0.00001   0.00061   0.00107   0.00169   2.47132
   D11        0.02494  -0.00001   0.00106   0.00091   0.00196   0.02690
   D12        2.19293  -0.00001   0.00064   0.00098   0.00163   2.19455
   D13       -0.44027  -0.00001   0.00101   0.00083   0.00183  -0.43844
   D14        1.72772  -0.00001   0.00059   0.00090   0.00150   1.72922
   D15       -0.56365   0.00000   0.00152   0.00107   0.00258  -0.56107
   D16        1.60433   0.00000   0.00111   0.00114   0.00225   1.60659
   D17        0.20493  -0.00001   0.00122   0.00093   0.00215   0.20709
   D18        2.37292  -0.00001   0.00081   0.00101   0.00182   2.37475
   D19        0.14673  -0.00001   0.00099   0.00076   0.00176   0.14848
   D20        2.31471  -0.00001   0.00058   0.00084   0.00143   2.31614
   D21        2.36054   0.00000   0.00184   0.00164   0.00349   2.36403
   D22       -1.75466   0.00001   0.00143   0.00172   0.00316  -1.75150
   D23        2.11071   0.00001   0.00222   0.00184   0.00406   2.11477
   D24       -2.00449   0.00001   0.00181   0.00192   0.00373  -2.00076
   D25        1.67175   0.00001   0.00206   0.00169   0.00374   1.67549
   D26       -2.44345   0.00002   0.00165   0.00177   0.00341  -2.44004
   D27        1.36497   0.00001   0.00205   0.00163   0.00367   1.36864
   D28       -2.75023   0.00002   0.00163   0.00171   0.00334  -2.74689
   D29        2.30685   0.00004   0.00296   0.00241   0.00537   2.31221
   D30       -1.80835   0.00004   0.00254   0.00249   0.00504  -1.80332
   D31       -1.85172   0.00001   0.00158   0.00211   0.00368  -1.84804
   D32        0.31626   0.00001   0.00117   0.00218   0.00335   0.31962
   D33       -2.18024   0.00000   0.00094   0.00178   0.00271  -2.17752
   D34       -0.01225   0.00000   0.00052   0.00185   0.00239  -0.00987
   D35       -2.56526   0.00000   0.00084   0.00199   0.00281  -2.56244
   D36       -0.39727   0.00001   0.00042   0.00206   0.00249  -0.39478
   D37       -2.85002   0.00000   0.00102   0.00198   0.00299  -2.84703
   D38       -0.68204   0.00000   0.00060   0.00205   0.00266  -0.67938
   D39       -2.16833   0.00001   0.00149   0.00125   0.00272  -2.16561
   D40       -0.00034   0.00002   0.00107   0.00132   0.00240   0.00205
   D41       -2.41921   0.00003   0.00007   0.00199   0.00202  -2.41718
   D42       -0.25122   0.00003  -0.00035   0.00206   0.00169  -0.24953
   D43        1.26588  -0.00003  -0.00073  -0.00170  -0.00238   1.26350
   D44       -1.97096  -0.00004  -0.00185  -0.00110  -0.00289  -1.97384
   D45        2.44691  -0.00001  -0.00028  -0.00099  -0.00126   2.44566
   D46       -0.78992  -0.00002  -0.00140  -0.00039  -0.00177  -0.79169
   D47        2.92243   0.00000   0.00025  -0.00051  -0.00025   2.92218
   D48       -0.31440   0.00000  -0.00087   0.00009  -0.00076  -0.31516
   D49        2.82060   0.00001   0.00065  -0.00042   0.00022   2.82082
   D50       -0.41623   0.00001  -0.00047   0.00018  -0.00029  -0.41652
   D51        2.02144   0.00000   0.00049  -0.00025   0.00026   2.02170
   D52       -1.21540   0.00000  -0.00063   0.00036  -0.00025  -1.21565
   D53        1.15464   0.00000   0.00040  -0.00034   0.00007   1.15472
   D54       -2.08219  -0.00001  -0.00072   0.00026  -0.00044  -2.08263
   D55        1.01487   0.00001   0.00084  -0.00040   0.00044   1.01531
   D56       -2.22197   0.00000  -0.00028   0.00020  -0.00007  -2.22204
   D57        2.00691   0.00000   0.00036  -0.00061  -0.00023   2.00669
   D58       -1.22992  -0.00001  -0.00076  -0.00001  -0.00074  -1.23066
   D59        1.82292  -0.00001   0.00000  -0.00091  -0.00089   1.82203
   D60       -1.41392  -0.00002  -0.00112  -0.00031  -0.00140  -1.41532
   D61       -2.31731   0.00000   0.00092  -0.00005   0.00088  -2.31644
   D62        0.72904   0.00000  -0.00020   0.00055   0.00037   0.72940
   D63       -2.44848   0.00000   0.00096  -0.00018   0.00078  -2.44770
   D64        0.59787   0.00000  -0.00016   0.00042   0.00027   0.59814
   D65       -2.85008   0.00001   0.00099  -0.00023   0.00076  -2.84931
   D66        0.19627   0.00001  -0.00013   0.00037   0.00025   0.19653
   D67       -3.02723   0.00001   0.00099  -0.00035   0.00065  -3.02657
   D68        0.01912   0.00001  -0.00013   0.00026   0.00014   0.01926
   D69       -2.17043   0.00001   0.00098  -0.00022   0.00077  -2.16966
   D70        0.87592   0.00001  -0.00014   0.00038   0.00026   0.87618
   D71       -0.21752   0.00002   0.00180  -0.00005   0.00175  -0.21577
   D72        2.82883   0.00001   0.00068   0.00055   0.00124   2.83007
   D73       -0.61121   0.00001   0.00093  -0.00012   0.00083  -0.61038
   D74        2.43514   0.00000  -0.00019   0.00048   0.00032   2.43546
   D75       -0.81240   0.00001   0.00038   0.00042   0.00082  -0.81159
   D76        2.23395   0.00001  -0.00074   0.00102   0.00031   2.23425
   D77       -1.14741   0.00001   0.00055   0.00041   0.00097  -1.14644
   D78        1.89894   0.00001  -0.00057   0.00102   0.00046   1.89940
   D79       -0.86842   0.00001   0.00117  -0.00043   0.00075  -0.86766
   D80        2.17793   0.00001   0.00005   0.00018   0.00024   2.17818
   D81       -1.17529   0.00001   0.00056  -0.00012   0.00044  -1.17485
   D82        1.87106   0.00000  -0.00056   0.00048  -0.00007   1.87099
   D83       -1.51458  -0.00002  -0.00105  -0.00091  -0.00198  -1.51655
   D84       -2.59700  -0.00002  -0.00086  -0.00059  -0.00146  -2.59846
   D85       -2.92985  -0.00003  -0.00055   0.00000  -0.00051  -2.93036
   D86        0.73036   0.00000  -0.00038  -0.00021  -0.00059   0.72977
   D87        0.31118  -0.00001  -0.00045  -0.00023  -0.00068   0.31050
   D88       -0.06380  -0.00001  -0.00059  -0.00017  -0.00076  -0.06456
   D89       -0.39702  -0.00001  -0.00034  -0.00014  -0.00048  -0.39750
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   D91       -0.04543  -0.00001  -0.00052  -0.00046  -0.00099  -0.04642
   D92        2.38826  -0.00001  -0.00008   0.00025   0.00018   2.38844
   D93        2.04025  -0.00001   0.00016   0.00021   0.00037   2.04062
   D94        1.64491   0.00000   0.00030   0.00027   0.00057   1.64548
   D95        1.35831   0.00001   0.00034   0.00019   0.00053   1.35884
   D96        2.04376   0.00000   0.00021   0.00019   0.00040   2.04416
   D97       -1.98019   0.00001   0.00093   0.00097   0.00189  -1.97830
   D98       -2.48654   0.00000   0.00061   0.00060   0.00122  -2.48532
   D99       -2.71364   0.00001  -0.00012   0.00077   0.00063  -2.71300
   D100      -3.02902   0.00002   0.00024   0.00064   0.00087  -3.02814
   D101      -2.91525   0.00003   0.00202   0.00042   0.00243  -2.91282
   D102       2.84075   0.00001   0.00207   0.00050   0.00254   2.84328
   D103      -2.88593   0.00002   0.00028  -0.00009   0.00019  -2.88574
   D104       1.20888   0.00002   0.00038  -0.00004   0.00034   1.20922
   D105       2.83872   0.00001  -0.00008  -0.00042  -0.00051   2.83821
   D106       0.65035   0.00001   0.00003  -0.00038  -0.00036   0.64999
   D107       2.35209  -0.00001  -0.00048  -0.00055  -0.00101   2.35108
   D108       0.16372  -0.00001  -0.00037  -0.00051  -0.00086   0.16286
   D109       1.77762   0.00001  -0.00009  -0.00017  -0.00034   1.77728
   D110      -0.41075   0.00001   0.00002  -0.00013  -0.00019  -0.41094
   D111       2.61068   0.00000   0.00013  -0.00023  -0.00009   2.61059
   D112       0.42231   0.00000   0.00024  -0.00019   0.00006   0.42237
   D113       2.27803   0.00000  -0.00014  -0.00046  -0.00060   2.27743
   D114       0.08966   0.00000  -0.00003  -0.00041  -0.00045   0.08921
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   D116       2.48524   0.00000  -0.00009   0.00001  -0.00007   2.48517
   D117      -1.77089  -0.00001  -0.00062  -0.00024  -0.00084  -1.77173
   D118       2.32393  -0.00001  -0.00051  -0.00020  -0.00069   2.32324
   D119      -2.73479   0.00002  -0.00006   0.00001  -0.00004  -2.73483
   D120       1.36003   0.00002   0.00005   0.00006   0.00011   1.36013
   D121      -2.70391   0.00002   0.00032   0.00021   0.00053  -2.70339
   D122       1.39090   0.00002   0.00043   0.00025   0.00068   1.39158
   D123       1.36117   0.00000  -0.00067  -0.00064  -0.00132   1.35984
   D124      -0.82720   0.00000  -0.00057  -0.00060  -0.00117  -0.82838
   D125       1.32734   0.00000  -0.00071  -0.00069  -0.00141   1.32593
   D126      -0.86103   0.00000  -0.00060  -0.00065  -0.00125  -0.86229
   D127       1.68176  -0.00001  -0.00080  -0.00071  -0.00151   1.68025
   D128      -0.50661  -0.00001  -0.00069  -0.00067  -0.00136  -0.50797
   D129       1.80530  -0.00001  -0.00085  -0.00063  -0.00148   1.80382
   D130      -0.38307  -0.00001  -0.00074  -0.00059  -0.00133  -0.38440
   D131       0.92550  -0.00001  -0.00073  -0.00073  -0.00146   0.92404
   D132      -1.26287  -0.00001  -0.00062  -0.00068  -0.00131  -1.26418
   D133      -0.90292  -0.00002  -0.00180  -0.00091  -0.00271  -0.90563
   D134      -3.09129  -0.00002  -0.00169  -0.00087  -0.00256  -3.09385
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   D138      -2.31827  -0.00001   0.00033  -0.00152  -0.00117  -2.31944
   D139       0.26839   0.00000   0.00027  -0.00132  -0.00102   0.26737
   D140      -1.91998   0.00000   0.00038  -0.00128  -0.00087  -1.92085
   D141      -0.27667  -0.00001  -0.00080  -0.00057  -0.00136  -0.27804
   D142      -2.46505  -0.00001  -0.00069  -0.00053  -0.00121  -2.46626
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   D145      -2.48294   0.00003   0.00144   0.00074   0.00217  -2.48077
   D146      -2.72753   0.00003   0.00115   0.00036   0.00150  -2.72603
   D147      -2.40701   0.00001   0.00069  -0.00019   0.00050  -2.40652
   D148       3.00984   0.00002   0.00117   0.00021   0.00137   3.01122
   D149       2.63488   0.00002   0.00123   0.00013   0.00136   2.63624
   D150       1.51568   0.00000   0.00071   0.00045   0.00117   1.51685
   D151       2.61598   0.00000   0.00078   0.00041   0.00118   2.61715
   D152       2.98564   0.00001   0.00108   0.00059   0.00167   2.98730
   D153       1.23719  -0.00001  -0.00010  -0.00062  -0.00072   1.23647
   D154       1.27873   0.00000   0.00008  -0.00035  -0.00027   1.27846
   D155       1.66151  -0.00001   0.00016  -0.00019  -0.00003   1.66148
   D156       1.73030   0.00000   0.00025   0.00002   0.00027   1.73057
   D157       0.92040  -0.00001   0.00011  -0.00030  -0.00018   0.92021
   D158      -0.98521  -0.00001  -0.00116   0.00007  -0.00109  -0.98630
   D159      -0.65459   0.00000  -0.00038  -0.00004  -0.00042  -0.65501
   D160      -0.66589  -0.00001   0.00026  -0.00052  -0.00025  -0.66614
   D161      -0.35141  -0.00002  -0.00007  -0.00068  -0.00074  -0.35215
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   D163       0.00236   0.00000  -0.00009  -0.00028  -0.00035   0.00201
   D164      -1.27151   0.00002   0.00020  -0.00069  -0.00049  -1.27200
   D165       1.68028   0.00002  -0.00015  -0.00019  -0.00034   1.67994
   D166      -1.63981   0.00002   0.00001  -0.00091  -0.00091  -1.64072
   D167       1.31198   0.00002  -0.00034  -0.00041  -0.00075   1.31123
   D168      -1.71391   0.00000  -0.00031  -0.00120  -0.00150  -1.71541
   D169       1.23788   0.00000  -0.00065  -0.00070  -0.00135   1.23654
   D170      -1.96404  -0.00002  -0.00006  -0.00058  -0.00063  -1.96467
   D171       0.98775  -0.00002  -0.00040  -0.00008  -0.00048   0.98727
   D172      -1.99039   0.00001   0.00012  -0.00091  -0.00079  -1.99118
   D173       0.96140   0.00001  -0.00023  -0.00041  -0.00064   0.96076
   D174      -2.29243   0.00001   0.00010  -0.00094  -0.00084  -2.29327
   D175       0.65936   0.00001  -0.00024  -0.00045  -0.00069   0.65867
   D176       1.98068   0.00002  -0.00010  -0.00066  -0.00076   1.97992
   D177      -1.35072   0.00002  -0.00045  -0.00016  -0.00060  -1.35132
   D178       0.83565   0.00000  -0.00022  -0.00075  -0.00096   0.83469
   D179      -2.49574   0.00000  -0.00056  -0.00025  -0.00081  -2.49655
   D180       0.37153  -0.00001  -0.00050  -0.00087  -0.00137   0.37016
   D181      -2.95987  -0.00001  -0.00085  -0.00037  -0.00122  -2.96109
   D182      -3.08034  -0.00001  -0.00057  -0.00108  -0.00166  -3.08201
   D183      -0.12855  -0.00001  -0.00092  -0.00058  -0.00151  -0.13007
   D184       2.93502  -0.00001  -0.00054  -0.00117  -0.00171   2.93331
   D185      -0.39637  -0.00001  -0.00089  -0.00067  -0.00155  -0.39793
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   D187      -0.25008   0.00000  -0.00089  -0.00058  -0.00146  -0.25154
   D188       2.98204   0.00001  -0.00045  -0.00091  -0.00135   2.98068
   D189      -0.34936   0.00001  -0.00080  -0.00041  -0.00120  -0.35056
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   D191      -0.83897  -0.00001  -0.00097  -0.00076  -0.00173  -0.84070
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   D199      -2.20420  -0.00001  -0.00173  -0.00086  -0.00257  -2.20677
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   D201      -1.85957  -0.00001  -0.00080  -0.00124  -0.00200  -1.86157
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   D210       2.11141  -0.00002  -0.00026   0.00011  -0.00012   2.11129
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   D213       0.01306  -0.00003  -0.00062  -0.00018  -0.00080   0.01227
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   D218      -2.05208   0.00001   0.00051   0.00064   0.00116  -2.05091
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   D267       1.34948   0.00001   0.00027   0.00038   0.00065   1.35012
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   D279      -1.77757   0.00002   0.00118   0.00014   0.00130  -1.77627
   D280       0.82570  -0.00001   0.00182   0.00025   0.00207   0.82777
   D281      -2.53969  -0.00001   0.00079   0.00030   0.00109  -2.53861
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   D283      -2.56604  -0.00001   0.00192   0.00001   0.00192  -2.56412
   D284       1.60085  -0.00004  -0.00117  -0.00087  -0.00205   1.59881
   D285      -2.61926  -0.00004  -0.00073  -0.00084  -0.00156  -2.62083
   D286       1.63981  -0.00002  -0.00009   0.00008  -0.00001   1.63980
   D287      -2.58031  -0.00002   0.00036   0.00011   0.00048  -2.57983
   D288       1.31346   0.00000   0.00040   0.00059   0.00100   1.31445
   D289      -2.90666   0.00000   0.00084   0.00062   0.00148  -2.90518
   D290       1.21396   0.00002   0.00054   0.00037   0.00087   1.21483
   D291      -3.00615   0.00002   0.00099   0.00040   0.00135  -3.00480
   D292       2.02744  -0.00001   0.00031   0.00043   0.00076   2.02820
   D293      -2.19268  -0.00001   0.00076   0.00046   0.00125  -2.19143
   D294       2.00954  -0.00001   0.00014   0.00026   0.00040   2.00994
   D295      -2.21058  -0.00001   0.00059   0.00029   0.00089  -2.20969
   D296      -2.31661   0.00000   0.00031   0.00025   0.00056  -2.31605
   D297      -0.25354   0.00000   0.00076   0.00028   0.00105  -0.25250
   D298      -2.30283   0.00000   0.00054   0.00053   0.00107  -2.30175
   D299      -0.23976   0.00001   0.00099   0.00056   0.00155  -0.23820
   D300      -1.91924   0.00001   0.00069   0.00069   0.00139  -1.91786
   D301       0.14382   0.00001   0.00114   0.00072   0.00187   0.14569
   D302      -1.86592   0.00000   0.00050   0.00076   0.00128  -1.86464
   D303       0.19715   0.00000   0.00095   0.00079   0.00176   0.19891
   D304      -2.65372   0.00001   0.00064   0.00067   0.00131  -2.65241
   D305      -0.59066   0.00002   0.00109   0.00070   0.00179  -0.58886
   D306      -2.79011   0.00002   0.00107   0.00096   0.00202  -2.78809
   D307      -0.72704   0.00003   0.00151   0.00099   0.00250  -0.72454
   D308       1.51851   0.00001   0.00052   0.00031   0.00083   1.51933
   D309      -2.70161   0.00001   0.00097   0.00034   0.00131  -2.70030
   D310       2.61933  -0.00001   0.00034   0.00029   0.00062   2.61995
   D311      -1.60079   0.00000   0.00078   0.00032   0.00110  -1.59968
   D312       3.00303  -0.00001   0.00023   0.00017   0.00040   3.00342
   D313      -1.21709  -0.00001   0.00067   0.00020   0.00088  -1.21621
   D314      -0.40136   0.00000   0.00152  -0.00054   0.00098  -0.40038
   D315       1.66171   0.00000   0.00197  -0.00051   0.00146   1.66317
   D316      -0.27547   0.00001   0.00164  -0.00009   0.00154  -0.27393
   D317       1.78760   0.00001   0.00209  -0.00007   0.00202   1.78962
   D318       0.14121   0.00001   0.00134   0.00000   0.00132   0.14253
   D319       2.20427   0.00001   0.00178   0.00003   0.00181   2.20608
   D320       0.27913   0.00002   0.00161   0.00002   0.00162   0.28075
   D321       2.34220   0.00002   0.00206   0.00004   0.00210   2.34430
   D322      -0.55386  -0.00001   0.00100   0.00038   0.00138  -0.55248
   D323       1.50920  -0.00001   0.00145   0.00041   0.00186   1.51107
   D324      -0.59364  -0.00002   0.00251   0.00006   0.00256  -0.59108
   D325       1.46942  -0.00002   0.00295   0.00008   0.00305   1.47247
   D326       0.00331   0.00001  -0.00028   0.00196   0.00166   0.00497
   D327       2.18961   0.00001  -0.00202   0.00148  -0.00055   2.18906
   D328       0.32746   0.00000  -0.00069   0.00159   0.00090   0.32836
   D329       2.51376  -0.00001  -0.00243   0.00111  -0.00132   2.51244
   D330       0.68571   0.00000  -0.00055   0.00172   0.00117   0.68688
   D331       2.87201   0.00000  -0.00229   0.00124  -0.00104   2.87097
   D332       0.96443   0.00000  -0.00070   0.00155   0.00085   0.96528
   D333      -3.13246   0.00000  -0.00244   0.00106  -0.00137  -3.13382
   D334       0.30562  -0.00001  -0.00146   0.00088  -0.00059   0.30503
   D335       2.49192  -0.00001  -0.00320   0.00040  -0.00280   2.48911
   D336       0.68407  -0.00001  -0.00209   0.00126  -0.00082   0.68325
   D337       2.87037  -0.00001  -0.00383   0.00078  -0.00304   2.86734
   D338      -2.40343   0.00001   0.00008   0.00192   0.00200  -2.40143
   D339      -0.21713   0.00001  -0.00166   0.00144  -0.00021  -0.21734
   D340      -2.01172   0.00000   0.00002   0.00170   0.00171  -2.01001
   D341       0.17458   0.00000  -0.00172   0.00122  -0.00050   0.17407
   D342      -1.96001   0.00000  -0.00079   0.00153   0.00073  -1.95928
   D343       0.22629   0.00000  -0.00253   0.00104  -0.00148   0.22480
   D344      -1.66896   0.00000  -0.00086   0.00167   0.00080  -1.66816
   D345       0.51734   0.00000  -0.00260   0.00119  -0.00142   0.51592
   D346      -1.62892   0.00000   0.00052   0.00154   0.00204  -1.62688
   D347       0.55738   0.00000  -0.00122   0.00106  -0.00018   0.55721
   D348      -1.31893   0.00000   0.00020   0.00136   0.00153  -1.31739
   D349       0.86737   0.00000  -0.00154   0.00088  -0.00068   0.86669
   D350       1.75743   0.00000  -0.00131   0.00189   0.00058   1.75801
   D351      -2.33945   0.00000  -0.00305   0.00141  -0.00163  -2.34109
   D352       2.16879   0.00001  -0.00169   0.00220   0.00051   2.16930
   D353      -1.92809   0.00000  -0.00343   0.00172  -0.00171  -1.92980
   D354       2.35362   0.00000  -0.00287   0.00295   0.00007   2.35369
   D355      -1.74326   0.00000  -0.00461   0.00247  -0.00215  -1.74541
   D356       2.98475   0.00000  -0.00175   0.00309   0.00133   2.98608
   D357      -1.11214   0.00000  -0.00350   0.00260  -0.00089  -1.11302
   D358       2.51473   0.00000  -0.00102   0.00189   0.00087   2.51560
   D359      -1.58216   0.00000  -0.00276   0.00141  -0.00134  -1.58350
   D360       1.61522  -0.00001   0.00059   0.00085   0.00145   1.61666
   D361      -2.48167  -0.00001  -0.00116   0.00036  -0.00077  -2.48243
   D362       1.75965  -0.00002  -0.00064   0.00116   0.00054   1.76018
   D363      -2.33724  -0.00003  -0.00238   0.00068  -0.00168  -2.33892
   D364       2.74037   0.00001  -0.00048   0.00055   0.00008   2.74045
   D365      -1.35651   0.00001  -0.00222   0.00006  -0.00214  -1.35865
   D366       2.70309   0.00001  -0.00221   0.00138  -0.00082   2.70228
   D367      -1.39379   0.00001  -0.00395   0.00090  -0.00303  -1.39682
   D368       0.04086  -0.00001  -0.00044   0.00045  -0.00002   0.04084
   D369      -2.71946  -0.00001  -0.00192   0.00162  -0.00032  -2.71979
   D370       0.43867  -0.00001  -0.00040   0.00058   0.00018   0.43884
   D371      -2.32166  -0.00002  -0.00188   0.00176  -0.00013  -2.32179
   D372       0.62720   0.00001  -0.00018   0.00112   0.00096   0.62816
   D373      -2.13313   0.00000  -0.00166   0.00230   0.00065  -2.13247
   D374       0.89157   0.00002  -0.00021   0.00080   0.00056   0.89213
   D375      -1.86875   0.00002  -0.00169   0.00198   0.00025  -1.86850
   D376       0.70687  -0.00001  -0.00065   0.00016  -0.00048   0.70639
   D377      -2.05346  -0.00001  -0.00213   0.00134  -0.00079  -2.05424
   D378       1.03927  -0.00001  -0.00064   0.00035  -0.00029   1.03898
   D379      -1.72106  -0.00001  -0.00212   0.00152  -0.00060  -1.72165
   D380      -2.82191   0.00001  -0.00058   0.00137   0.00077  -2.82114
   D381       0.70095   0.00000  -0.00206   0.00255   0.00047   0.70141
   D382      -2.26345   0.00002  -0.00002   0.00154   0.00153  -2.26193
   D383       1.25941   0.00001  -0.00150   0.00271   0.00122   1.26063
   D384      -1.98436   0.00001  -0.00001   0.00080   0.00078  -1.98358
   D385       1.53850   0.00000  -0.00149   0.00197   0.00048   1.53898
   D386      -1.64064   0.00001   0.00024   0.00067   0.00090  -1.63974
   D387       1.88222   0.00001  -0.00124   0.00184   0.00059   1.88282
   D388      -1.73707   0.00002   0.00114   0.00184   0.00306  -1.73401
   D389       1.78579   0.00002  -0.00034   0.00301   0.00276   1.78855
   D390      -1.06267   0.00000   0.00099  -0.00008   0.00086  -1.06181
   D391       2.46018  -0.00001  -0.00049   0.00109   0.00056   2.46074
   D392       1.77953   0.00001   0.00015   0.00059   0.00073   1.78026
   D393      -0.98080   0.00001  -0.00133   0.00176   0.00043  -0.98037
   D394       2.07932   0.00001  -0.00010   0.00062   0.00052   2.07983
   D395      -0.68101   0.00000  -0.00158   0.00179   0.00021  -0.68080
   D396       2.02357   0.00000  -0.00043   0.00061   0.00018   2.02375
   D397      -0.73676  -0.00001  -0.00191   0.00179  -0.00012  -0.73688
   D398       2.21585  -0.00001  -0.00089   0.00058  -0.00030   2.21555
   D399      -0.54447  -0.00001  -0.00237   0.00176  -0.00061  -0.54508
   D400       2.48175   0.00001   0.00003   0.00060   0.00062   2.48237
   D401      -0.27858   0.00000  -0.00145   0.00177   0.00032  -0.27826
   D402      -1.49003   0.00000   0.00185  -0.00031   0.00155  -1.48848
   D403       2.03283   0.00000   0.00037   0.00087   0.00124   2.03407
   D404      -2.59549   0.00001   0.00096  -0.00012   0.00084  -2.59465
   D405       0.92737   0.00000  -0.00052   0.00105   0.00054   0.92791
   D406      -2.97018   0.00001  -0.00076   0.00054  -0.00021  -2.97039
   D407       0.55268   0.00001  -0.00224   0.00171  -0.00051   0.55217
   D408       1.86316  -0.00001   0.00116   0.00031   0.00146   1.86462
   D409       2.36057  -0.00002   0.00055   0.00013   0.00069   2.36125
   D410       2.58090   0.00000   0.00105   0.00044   0.00149   2.58239
   D411       2.80682   0.00001   0.00102   0.00006   0.00105   2.80787
   D412       2.79568  -0.00003  -0.00094  -0.00026  -0.00119   2.79448
   D413      -3.00474  -0.00002  -0.00061  -0.00012  -0.00073  -3.00547
   D414      -0.80447   0.00000   0.00122   0.00027   0.00148  -0.80298
   D415      -0.42695   0.00000   0.00142   0.00036   0.00177  -0.42518
   D416      -0.11138   0.00000   0.00116   0.00021   0.00137  -0.11000
   D417       0.19640   0.00000   0.00121   0.00023   0.00144   0.19784
   D418      -0.29972   0.00001   0.00192   0.00060   0.00250  -0.29722
   D419       0.01375   0.00001   0.00243   0.00079   0.00322   0.01697
   D420      -2.60622   0.00000   0.00111   0.00002   0.00112  -2.60510
   D421      -2.22458   0.00000   0.00097   0.00006   0.00104  -2.22354
   D422      -1.98388   0.00000   0.00072   0.00001   0.00073  -1.98316
   D423      -1.66940  -0.00001   0.00066  -0.00001   0.00065  -1.66875
   D424      -2.00609   0.00000   0.00118   0.00007   0.00125  -2.00483
   D425       1.35831   0.00000   0.00160  -0.00124   0.00037   1.35868
   D426       2.50013   0.00000   0.00221  -0.00082   0.00140   2.50154
   D427       2.95281  -0.00002   0.00146  -0.00053   0.00095   2.95376
   D428      -3.06356   0.00003   0.00200   0.00086   0.00285  -3.06071
   D429       0.02732   0.00001  -0.00001  -0.00045  -0.00046   0.02686
   D430       0.04754   0.00004   0.00203   0.00202   0.00403   0.05157
   D431       3.13842   0.00002   0.00002   0.00071   0.00072   3.13915
   D432      -0.10587  -0.00001  -0.00228  -0.00282  -0.00509  -0.11096
   D433       1.99191   0.00001  -0.00240  -0.00283  -0.00517   1.98674
   D434      -2.20240  -0.00003  -0.00240  -0.00303  -0.00547  -2.20787
   D435       3.08393   0.00001  -0.00038  -0.00159  -0.00197   3.08196
   D436      -1.10148   0.00002  -0.00051  -0.00160  -0.00205  -1.10353
   D437       0.98740  -0.00001  -0.00050  -0.00180  -0.00235   0.98505
   D438      -2.34828   0.00000  -0.00078  -0.00009  -0.00087  -2.34915
   D439      -0.25749   0.00001  -0.00087  -0.00003  -0.00088  -0.25837
   D440       1.85039   0.00001  -0.00088  -0.00009  -0.00098   1.84941
   D441       0.74500  -0.00001  -0.00268  -0.00134  -0.00402   0.74098
   D442       2.83579  -0.00001  -0.00277  -0.00127  -0.00403   2.83176
   D443      -1.33952  -0.00001  -0.00279  -0.00133  -0.00413  -1.34364
   D444      -0.00749   0.00000   0.00007   0.00017   0.00024  -0.00725
   D445       3.11768  -0.00001  -0.00091  -0.00004  -0.00095   3.11674
   D446      -3.12808   0.00001   0.00003   0.00023   0.00025  -3.12782
   D447      -0.00291   0.00000  -0.00095   0.00002  -0.00093  -0.00384
   D448       2.43044   0.00000   0.00077   0.00056   0.00133   2.43177
   D449      -1.76750   0.00000   0.00073   0.00058   0.00131  -1.76619
   D450       0.33977   0.00003   0.00078   0.00069   0.00146   0.34123
   D451      -0.69552   0.00001   0.00170   0.00076   0.00245  -0.69306
   D452       1.38972   0.00001   0.00166   0.00078   0.00244   1.39216
   D453      -2.78620   0.00004   0.00171   0.00089   0.00259  -2.78360
   D454       2.06571   0.00000  -0.00016  -0.00051  -0.00067   2.06503
   D455      -2.13262   0.00000  -0.00034  -0.00048  -0.00082  -2.13344
   D456      -0.03906   0.00000  -0.00040  -0.00046  -0.00087  -0.03992
   D457      -1.09152  -0.00001  -0.00109  -0.00071  -0.00180  -1.09332
   D458       0.99333  -0.00001  -0.00127  -0.00068  -0.00195   0.99138
   D459       3.08690  -0.00001  -0.00134  -0.00066  -0.00199   3.08490
   D460      -3.07939   0.00001   0.00022   0.00008   0.00030  -3.07909
   D461      -0.03004   0.00000  -0.00009   0.00037   0.00027  -0.02977
   D462       0.07636  -0.00002   0.00038  -0.00040  -0.00003   0.07633
   D463       3.12570  -0.00003   0.00007  -0.00011  -0.00005   3.12566
   D464       1.93388   0.00001  -0.00001   0.00047   0.00047   1.93434
   D465      -2.26661   0.00000  -0.00037   0.00058   0.00021  -2.26641
   D466      -0.17280  -0.00001  -0.00037   0.00052   0.00014  -0.17266
   D467      -1.11936   0.00001   0.00030   0.00020   0.00051  -1.11885
   D468       0.96333   0.00001  -0.00006   0.00031   0.00025   0.96358
   D469       3.05714   0.00000  -0.00006   0.00025   0.00019   3.05733
   D470      -1.65443   0.00003   0.00186   0.00060   0.00247  -1.65196
   D471       0.45039   0.00005   0.00181   0.00053   0.00235   0.45274
   D472       2.54337   0.00004   0.00163   0.00050   0.00212   2.54549
   D473       1.39910   0.00002   0.00155   0.00087   0.00243   1.40153
   D474      -2.77926   0.00004   0.00150   0.00080   0.00230  -2.77696
   D475      -0.68628   0.00003   0.00132   0.00077   0.00208  -0.68420
   D476       0.01554  -0.00005  -0.00636   0.00020  -0.00615   0.00939
   D477      -3.09560  -0.00002   0.00098   0.00131   0.00230  -3.09330
   D478       3.13477  -0.00014  -0.00750  -0.00018  -0.00769   3.12708
   D479       0.02363  -0.00010  -0.00016   0.00092   0.00075   0.02439
   D480      -0.28015  -0.00002   0.00923   0.00038   0.00962  -0.27053
   D481       1.82793   0.00000   0.01027  -0.00004   0.01024   1.83817
   D482      -2.37455   0.00006   0.00962   0.00037   0.01001  -2.36454
   D483       2.83245  -0.00006   0.00224  -0.00067   0.00157   2.83402
   D484      -1.34266  -0.00004   0.00328  -0.00109   0.00219  -1.34047
   D485       0.73804   0.00002   0.00263  -0.00068   0.00197   0.74001
   D486       0.03426   0.00002  -0.00130  -0.00309  -0.00438   0.02988
   D487       2.12694  -0.00005  -0.00193  -0.00309  -0.00502   2.12192
   D488      -2.07206  -0.00003  -0.00150  -0.00326  -0.00476  -2.07682
   D489      -3.07842   0.00005   0.00566  -0.00204   0.00362  -3.07480
   D490      -0.98573  -0.00001   0.00502  -0.00204   0.00297  -0.98276
   D491       1.09845   0.00001   0.00545  -0.00221   0.00324   1.10169
         Item               Value     Threshold  Converged?
 Maximum Force            0.000137     0.000450     YES
 RMS     Force            0.000018     0.000300     YES
 Maximum Displacement     0.019411     0.001800     NO 
 RMS     Displacement     0.002062     0.001200     NO 
 Predicted change in Energy=-3.391382D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:29:43 2016, MaxMem=  2952790016 cpu:         5.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.861465   -0.609563    1.688657
      2          6           0       -2.128131    1.040944   -1.382736
      3          8           0       -2.638059    0.046318   -1.926848
      4          7           0       -0.844967    1.128488   -0.937259
      5          1           0       -2.709435    1.963493   -1.183000
      6          6           0       -0.362526    2.308273   -0.218569
      7          1           0       -1.139931    3.085029   -0.221865
      8          1           0       -0.118655    2.040524    0.822219
      9          1           0        0.545329    2.698541   -0.706380
     10          6           0        0.103095    0.023000   -1.093013
     11          1           0        0.645561   -0.126098   -0.146545
     12          1           0       -0.445102   -0.893035   -1.348788
     13          1           0        0.833861    0.252117   -1.886101
     14          6           0       -1.980052   -4.036495    2.617288
     15          8           0       -2.133153   -3.891963    3.842223
     16          7           0       -2.903450   -3.735142    1.664267
     17          1           0       -1.034397   -4.418269    2.184128
     18          6           0       -4.221106   -3.198034    2.012877
     19          1           0       -4.486609   -2.408863    1.291710
     20          1           0       -4.987832   -3.989545    1.970266
     21          1           0       -4.186946   -2.775290    3.025456
     22          6           0       -2.623082   -3.910539    0.238951
     23          1           0       -3.320241   -4.643354   -0.199495
     24          1           0       -2.749794   -2.949054   -0.286068
     25          1           0       -1.590371   -4.262041    0.105868
     26          6           0        1.525379    0.375496    2.617852
     27          8           0        1.358914    1.392525    3.312033
     28          7           0        1.149162   -0.886423    2.961972
     29          1           0        1.999975    0.417340    1.617635
     30          6           0        1.456260   -2.036860    2.111797
     31          1           0        2.207055   -2.682690    2.597497
     32          1           0        0.543342   -2.630771    1.945498
     33          1           0        1.842203   -1.687518    1.144456
     34          6           0        0.519465   -1.166916    4.254578
     35          1           0        1.273372   -1.485479    4.994741
     36          1           0        0.013482   -0.262452    4.615167
     37          1           0       -0.213784   -1.976706    4.127068
     38          6           0       -4.561962    1.319312    2.894749
     39          8           0       -4.787746    1.986457    1.871017
     40          7           0       -3.467602    1.439218    3.695541
     41          1           0       -5.251087    0.522504    3.240994
     42          6           0       -2.411341    2.416133    3.421063
     43          1           0       -2.512492    2.782074    2.391517
     44          1           0       -2.477152    3.263082    4.124530
     45          1           0       -1.430218    1.932500    3.547625
     46          6           0       -3.263584    0.563604    4.849860
     47          1           0       -4.084039   -0.165044    4.911010
     48          1           0       -2.307602    0.024304    4.742125
     49          1           0       -3.227776    1.157000    5.778328
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.496961   0.000000
     3  O    3.755683   1.243127   0.000000
     4  N    3.309006   1.361111   2.316368   0.000000
     5  H    3.947921   1.108561   2.057660   2.057635   0.000000
     6  C    3.794482   2.465516   3.634929   1.463269   2.560660
     7  H    4.221458   2.549989   3.792771   2.104006   2.155218
     8  H    3.288018   3.146265   4.228667   2.110711   3.277038
     9  H    4.740507   3.217526   4.319466   2.109809   3.370600
    10  C    3.463714   2.469518   2.865267   1.464645   3.418178
    11  H    3.144341   3.253232   3.739167   2.102591   4.086151
    12  H    3.363407   2.563983   2.454709   2.101381   3.648896
    13  H    4.559185   3.106287   3.478253   2.118205   3.997263
    14  C    3.552504   6.465486   6.144226   6.371834   7.139611
    15  O    3.935202   7.185666   7.003369   7.050376   7.737657
    16  N    3.294780   5.718072   5.221684   5.887290   6.373305
    17  H    3.928839   6.612244   6.277292   6.367531   7.407442
    18  C    3.517557   5.820624   5.343528   6.230603   6.256208
    19  H    3.207247   4.961476   4.450188   5.544611   5.329168
    20  H    4.612782   6.687775   6.082526   7.198006   7.111459
    21  H    3.447502   6.183406   5.906423   6.489330   6.507703
    22  C    3.684854   5.233739   4.510835   5.471467   6.044308
    23  H    4.686642   5.927261   5.044021   6.323404   6.707518
    24  H    3.187772   4.184403   3.417148   4.547391   4.993920
    25  H    3.989900   5.534146   4.877657   5.540897   6.455289
    26  C    3.647527   5.458540   6.172267   4.338704   5.907779
    27  O    4.124869   5.858664   6.725618   4.794088   6.089564
    28  N    3.280527   5.773377   6.254088   4.820832   6.339683
    29  H    3.996284   5.141241   5.849135   3.889332   5.693214
    30  C    3.636417   5.876436   6.116678   4.961030   6.649175
    31  H    4.655825   6.964305   7.168844   6.027804   7.749262
    32  H    3.151880   5.629866   5.681830   4.936569   6.440134
    33  H    3.895548   5.440105   5.701916   4.414103   6.282065
    34  C    3.544492   6.607853   7.046413   5.838298   7.056381
    35  H    4.639463   7.656712   8.096548   6.819736   8.119275
    36  H    3.492904   6.500784   7.065690   5.788012   6.781434
    37  H    3.244963   6.567258   6.827858   5.973946   7.067550
    38  C    3.530991   4.929290   5.345064   5.341979   4.524915
    39  O    3.916082   4.307489   4.775884   4.916099   3.694174
    40  N    3.287060   5.267039   5.851459   5.332692   4.964861
    41  H    3.896263   5.603616   5.810444   6.102369   5.301714
    42  C    3.529650   5.004782   5.853852   4.806925   4.635854
    43  H    3.524351   4.174238   5.113552   4.073786   3.672334
    44  H    4.616268   5.948924   6.855118   5.730813   5.469256
    45  H    3.178651   5.058697   5.914932   4.593814   4.900629
    46  C    3.651776   6.353138   6.825148   6.297582   6.217891
    47  H    3.939669   6.700091   6.992270   6.809336   6.599785
    48  H    3.150317   6.211255   6.677192   5.967740   6.247322
    49  H    4.659717   7.245932   7.807120   7.125847   7.027033
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098963   0.000000
     8  H    1.101999   1.795580   0.000000
     9  H    1.102029   1.795613   1.791779   0.000000
    10  C    2.490769   3.417607   2.790643   2.739266   0.000000
    11  H    2.635828   3.674913   2.493347   2.881327   1.101045
    12  H    3.395966   4.192580   3.664097   3.780616   1.097752
    13  H    2.905131   3.832875   3.382408   2.731298   1.102499
    14  C    7.135444   7.712503   6.604335   7.923700   5.880929
    15  O    7.620241   8.135215   6.955073   8.443862   6.684631
    16  N    6.820867   7.292614   6.467028   7.675045   5.546669
    17  H    7.174310   7.880318   6.664037   7.842165   5.635460
    18  C    7.084307   7.346059   6.759458   8.054990   6.222566
    19  H    6.445182   6.608631   6.252719   7.443006   5.715439
    20  H    8.114614   8.346339   7.835090   9.083545   7.169500
    21  H    7.140903   7.360212   6.678122   8.141489   6.572416
    22  C    6.632726   7.165895   6.482863   7.390021   4.967786
    23  H    7.554704   8.030078   7.481195   8.312820   5.855977
    24  H    5.774348   6.245473   5.748660   6.552086   4.198004
    25  H    6.691927   7.368157   6.511638   7.326026   4.760957
    26  C    3.917282   4.744412   2.949486   4.172236   3.989694
    27  O    4.033249   4.647282   2.966865   4.302934   4.780910
    28  N    4.754695   5.581147   3.840954   5.164629   4.285348
    29  H    3.539588   4.512132   2.784961   3.566640   3.331856
    30  C    5.255357   6.198382   4.557240   5.585333   4.042881
    31  H    6.280342   7.240007   5.556015   6.529517   5.036593
    32  H    5.467901   6.340445   4.849845   5.952649   4.058185
    33  H    4.762878   5.791128   4.224583   4.934064   3.310080
    34  C    5.732703   6.393057   4.740882   6.289160   5.494178
    35  H    6.651865   7.343470   5.637409   7.109068   6.380109
    36  H    5.487715   5.994404   4.439327   6.113036   5.716015
    37  H    6.104730   6.737368   5.202809   6.767304   5.598971
    38  C    5.320343   4.953921   4.955654   6.399595   6.272593
    39  O    4.904336   4.346674   4.785741   5.965880   6.046567
    40  N    5.071194   4.844875   4.453425   6.088219   6.138876
    41  H    6.249446   5.954790   5.873391   7.342706   6.906547
    42  C    4.178062   3.915972   3.485898   5.085020   5.694414
    43  H    3.414585   2.967402   2.956865   4.353643   5.157106
    44  H    4.924004   4.550935   4.238209   5.726411   6.661723
    45  H    3.932605   3.952422   3.026500   4.752489   5.247166
    46  C    6.094996   6.048957   5.319189   7.066652   6.851607
    47  H    6.802907   6.751086   6.107947   7.822163   7.322277
    48  H    5.797269   5.947495   4.921616   6.706487   6.313501
    49  H    6.745210   6.639180   5.916948   7.659250   7.719844
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795307   0.000000
    13  H    1.790128   1.798840   0.000000
    14  C    5.461119   5.288400   6.825746   0.000000
    15  O    6.149249   6.228136   7.667481   1.242898   0.000000
    16  N    5.375846   4.816591   6.516966   1.360781   2.315478
    17  H    5.164981   5.025539   6.470677   1.107990   2.057557
    18  C    6.146897   5.556260   7.256602   2.467926   2.861397
    19  H    5.798169   5.060014   6.744383   3.269431   3.774051
    20  H    7.151380   6.421907   8.170396   3.076944   3.415104
    21  H    6.358689   6.056260   7.648338   2.574416   2.476314
    22  C    5.015439   4.045966   5.813261   2.466950   3.636474
    23  H    6.011322   4.863352   6.638286   3.177837   4.278931
    24  H    4.417803   3.266220   5.064601   3.194450   4.279265
    25  H    4.708410   3.844199   5.497496   2.551461   3.793668
    26  C    2.944073   4.607190   4.558400   5.635043   5.752838
    27  O    3.844066   5.495590   5.347598   6.411367   6.356214
    28  N    3.239535   4.596126   4.989940   4.453508   4.536706
    29  H    2.289561   4.061422   3.696388   6.056118   6.371941
    30  C    3.067304   4.110860   4.648655   4.007780   4.395414
    31  H    4.062536   5.080352   5.531854   4.400573   4.674301
    32  H    3.265039   3.853449   4.803810   2.965616   3.514512
    33  H    2.353012   3.475519   3.736738   4.721923   5.285922
    34  C    4.524277   5.692374   6.310344   4.142800   3.825220
    35  H    5.354893   6.598826   7.110443   4.769144   4.327109
    36  H    4.805415   6.014707   6.572997   4.712653   4.287054
    37  H    4.735715   5.586846   6.497955   3.105135   2.726412
    38  C    6.201368   6.312734   7.287684   5.952135   5.827024
    39  O    6.168815   6.125126   6.980426   6.687004   6.744505
    40  N    5.842084   6.326149   7.146085   5.775714   5.497615
    41  H    6.831293   6.794655   7.961583   5.645632   5.437878
    42  C    5.341855   6.129287   6.586372   6.516784   6.328257
    43  H    4.987236   5.636525   5.991393   6.843051   6.840411
    44  H    6.283308   7.166571   7.493758   7.470121   7.168871
    45  H    4.711005   5.738376   6.121692   6.066032   5.874120
    46  C    6.381313   6.963395   7.890453   5.271882   4.705878
    47  H    6.924557   7.277149   8.400029   4.967500   4.340298
    48  H    5.713395   6.435032   7.338534   4.594814   4.022115
    49  H    7.193970   7.920966   8.721192   6.206560   5.517131
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056763   0.000000
    18  C    1.465003   3.416638   0.000000
    19  H    2.098621   4.092908   1.101529   0.000000
    20  H    2.122028   3.982359   1.102803   1.791709   0.000000
    21  H    2.102739   3.653187   1.097814   1.797204   1.797014
    22  C    1.463181   2.562308   2.491618   2.614588   2.931849
    23  H    2.114751   3.310197   2.791970   2.928661   2.813572
    24  H    2.108401   3.347095   2.740785   2.407845   3.344021
    25  H    2.104853   2.157007   3.419000   3.637126   3.884967
    26  C    6.117286   5.451674   6.793982   6.756871   7.867329
    27  O    6.868467   6.384782   7.341503   7.259642   8.429010
    28  N    5.120830   4.224560   5.923184   6.072027   6.948060
    29  H    6.425640   5.736850   7.206178   7.083038   8.268883
    30  C    4.700161   3.446696   5.795740   6.010710   6.734934
    31  H    5.300550   3.700017   6.475232   6.825336   7.339461
    32  H    3.630303   2.396112   4.798572   5.077115   5.695679
    33  H    5.194630   4.100335   6.308687   6.371490   7.254699
    34  C    5.002184   4.156026   5.623494   5.948261   6.596639
    35  H    5.796454   4.671895   6.481793   6.909592   7.390566
    36  H    5.410719   4.927354   5.772460   5.991934   6.774944
    37  H    4.048677   3.226399   4.692555   5.146168   5.612027
    38  C    5.460059   6.772631   4.615224   4.058903   5.405553
    39  O    6.027438   7.430086   5.217294   4.443548   5.980175
    40  N    5.587338   6.520353   4.990314   4.650216   5.895689
    41  H    5.111264   6.580933   4.051115   3.602367   4.694959
    42  C    6.416127   7.080609   6.064413   5.667580   7.055199
    43  H    6.569311   7.353415   6.230925   5.661496   7.222160
    44  H    7.430327   8.052941   7.017583   6.650846   7.971510
    45  H    6.151391   6.507539   6.038782   5.768718   7.086276
    46  C    5.362547   6.074081   4.807831   4.794975   5.656524
    47  H    4.967970   5.901366   4.197260   4.277396   4.908322
    48  H    4.895067   5.282126   4.636136   4.751183   5.565773
    49  H    6.400292   6.986616   5.842229   5.867689   6.639733
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391028   0.000000
    23  H    3.826375   1.102399   0.000000
    24  H    3.614110   1.102793   1.789848   0.000000
    25  H    4.180504   1.098979   1.797525   1.794939   0.000000
    26  C    6.536378   6.421759   7.523717   6.145119   6.125741
    27  O    6.943297   7.309077   8.405781   6.976899   7.138059
    28  N    5.660909   5.548869   6.639651   5.477779   5.201650
    29  H    7.103015   6.481046   7.564210   6.125112   6.088729
    30  C    5.764184   4.864078   5.911924   4.926738   4.272838
    31  H    6.408976   5.513672   6.497567   5.740754   4.808639
    32  H    4.854154   3.817898   4.855796   3.990731   3.255458
    33  H    6.408747   5.069569   6.098688   4.972354   4.414679
    34  C    5.123272   5.790366   6.831379   5.872099   5.589545
    35  H    5.946155   6.609146   7.619287   6.798151   6.309627
    36  H    5.146370   6.277840   7.313479   6.235033   6.237214
    37  H    4.199678   4.966073   5.956528   5.181947   4.825743
    38  C    4.113816   6.177690   6.831515   5.623211   6.910839
    39  O    4.936388   6.490298   7.098942   5.758953   7.237588
    40  N    4.327649   6.425039   7.224313   5.968701   6.993861
    41  H    3.471930   5.964105   6.500094   5.545120   6.791297
    42  C    5.500922   7.085016   7.985668   6.530131   7.500834
    43  H    5.838661   7.031134   7.905870   6.330214   7.462845
    44  H    6.371287   8.159648   9.050951   7.623539   8.576916
    45  H    5.480465   6.819923   7.800958   6.345712   7.088277
    46  C    3.915260   6.456677   7.253385   6.243437   6.970792
    47  H    3.221690   6.163705   6.837829   6.044877   6.789193
    48  H    3.783730   5.988414   6.872560   5.858253   6.354687
    49  H    4.895019   7.531952   8.329887   7.339281   8.013981
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242556   0.000000
    28  N    1.361028   2.315198   0.000000
    29  H    1.107893   2.057409   2.056921   0.000000
    30  C    2.465833   3.634656   1.463083   2.561820   0.000000
    31  H    3.133305   4.223421   2.116260   3.257791   1.103039
    32  H    3.233280   4.326603   2.107840   3.394150   1.101728
    33  H    2.554858   3.797186   2.103669   2.163150   1.098518
    34  C    2.463690   2.853735   1.464931   3.413978   2.495175
    35  H    3.029246   3.334926   2.122839   3.943795   2.940890
    36  H    2.584971   2.499459   2.100515   3.659710   3.390722
    37  H    3.291698   3.806492   2.098520   4.114540   2.618011
    38  C    6.166293   5.936014   6.122640   6.745635   6.935121
    39  O    6.558087   6.341192   6.685096   6.971334   7.431869
    40  N    5.217545   4.841954   5.221230   5.937704   6.231837
    41  H    6.806644   6.667391   6.559430   7.431302   7.267320
    42  C    4.506341   3.908258   4.877993   5.167904   6.041660
    43  H    4.706086   4.214971   5.214499   5.152982   6.249110
    44  H    5.160279   4.344483   5.632059   5.867490   6.900160
    45  H    3.467606   2.850672   3.865555   4.217439   5.113627
    46  C    5.286909   4.941610   5.013883   6.178489   6.044529
    47  H    6.084104   5.882898   5.630766   6.942674   6.483379
    48  H    4.396318   4.166597   3.993443   5.335929   5.033258
    49  H    5.761236   5.213043   5.591514   6.722191   6.751621
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787664   0.000000
    33  H    1.798559   1.793999   0.000000
    34  C    2.809173   2.734099   3.419579   0.000000
    35  H    2.837580   3.338042   3.897318   1.103493   0.000000
    36  H    3.839311   3.607884   4.173832   1.097314   1.796439
    37  H    2.949316   2.400061   3.634101   1.099853   1.790473
    38  C    7.869179   6.524444   7.288201   5.818193   6.806463
    39  O    8.441325   7.053003   7.614605   6.617524   7.651741
    40  N    7.099124   5.976214   6.669223   4.795953   5.720018
    41  H    8.143172   6.722861   7.719743   6.097603   7.048133
    42  C    6.928625   6.031474   6.333681   4.703467   5.592507
    43  H    7.223587   6.231850   6.363630   5.315852   6.270689
    44  H    7.721777   6.972021   7.214299   5.349907   6.113307
    45  H    5.952519   5.223523   5.439530   3.729266   4.591963
    46  C    6.748293   5.756044   6.698255   4.202442   4.980331
    47  H    7.160220   6.023847   7.185068   4.756774   5.518370
    48  H    5.684134   4.795668   5.752777   3.106286   3.894436
    49  H    7.375520   6.577168   7.434295   4.665214   5.277976
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796819   0.000000
    38  C    5.137753   5.593657   0.000000
    39  O    5.969904   6.458913   1.242614   0.000000
    40  N    3.982379   4.737308   1.361348   2.317572   0.000000
    41  H    5.497290   5.692592   1.108910   2.057834   2.056160
    42  C    3.805321   4.962331   2.470869   2.869594   1.464714
    43  H    4.538095   5.562570   2.567731   2.465910   2.101422
    44  H    4.344349   5.707733   3.104358   3.470871   2.119317
    45  H    2.835795   4.134896   3.257310   3.753255   2.101462
    46  C    3.387714   4.034462   2.465632   3.636082   1.463139
    47  H    4.109342   4.344601   2.548928   3.790214   2.104998
    48  H    2.342174   2.960812   3.189355   4.271350   2.107824
    49  H    3.724720   4.650906   3.181419   4.288192   2.115459
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417955   0.000000
    43  H    3.650640   1.097319   0.000000
    44  H    3.998265   1.102960   1.798875   0.000000
    45  H    4.084257   1.101145   1.797130   1.788670   0.000000
    46  C    2.557403   2.489908   3.395467   2.903750   2.632665
    47  H    2.150274   3.417651   4.183672   3.866871   3.647092
    48  H    3.341512   2.734376   3.629412   3.301493   2.416164
    49  H    3.306726   2.794401   3.824001   2.781019   2.967938
                   46         47         48         49
    46  C    0.000000
    47  H    1.099006   0.000000
    48  H    1.102884   1.794465   0.000000
    49  H    1.102476   1.798118   1.789815   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2138393      0.1918303      0.1854356
 Leave Link  202 at Mon Nov 14 01:29:43 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.8196849558 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841263091 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.6355586466 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4043
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.99D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     221
 GePol: Fraction of low-weight points (<1% of avg)   =       5.47%
 GePol: Cavity surface area                          =    465.854 Ang**2
 GePol: Cavity volume                                =    457.976 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039802905 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.6315783562 Hartrees.
 Leave Link  301 at Mon Nov 14 01:29:43 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11974 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.48D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:29:44 2016, MaxMem=  2952790016 cpu:        15.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:29:45 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000081   -0.000094    0.000401
         Rot=    1.000000   -0.000016    0.000004   -0.000046 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 01:29:45 2016, MaxMem=  2952790016 cpu:         8.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49037547.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.33D-15 for   3012.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.99D-15 for   3685   2482.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   2637.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.61D-11 for   1420   1416.
 E= -1013.45115305771    
 DIIS: error= 2.08D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45115305771     IErMin= 1 ErrMin= 2.08D-04
 ErrMax= 2.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-05 BMatP= 3.71D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.08D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.90D-05 MaxDP=1.62D-03              OVMax= 2.40D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.90D-05    CP:  1.00D+00
 E= -1013.45122056488     Delta-E=       -0.000067507170 Rises=F Damp=F
 DIIS: error= 4.67D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45122056488     IErMin= 2 ErrMin= 4.67D-05
 ErrMax= 4.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 3.71D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.360D-01 0.964D+00
 Coeff:      0.360D-01 0.964D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.65D-06 MaxDP=5.00D-04 DE=-6.75D-05 OVMax= 1.10D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.39D-06    CP:  1.00D+00  9.47D-01
 E= -1013.45121674796     Delta-E=        0.000003816921 Rises=F Damp=F
 DIIS: error= 1.16D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45122056488     IErMin= 2 ErrMin= 4.67D-05
 ErrMax= 1.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.54D-06 BMatP= 1.14D-06
 IDIUse=3 WtCom= 4.82D-01 WtEn= 5.18D-01
 Coeff-Com:  0.310D-02 0.697D+00 0.300D+00
 Coeff-En:   0.000D+00 0.776D+00 0.224D+00
 Coeff:      0.149D-02 0.738D+00 0.260D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.58D-06 MaxDP=3.34D-04 DE= 3.82D-06 OVMax= 7.66D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.37D-06    CP:  1.00D+00  9.63D-01  4.02D-01
 E= -1013.45122152856     Delta-E=       -0.000004780598 Rises=F Damp=F
 DIIS: error= 9.76D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45122152856     IErMin= 4 ErrMin= 9.76D-06
 ErrMax= 9.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.95D-08 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.366D-04 0.323D+00 0.117D+00 0.560D+00
 Coeff:     -0.366D-04 0.323D+00 0.117D+00 0.560D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.20D-06 MaxDP=5.69D-05 DE=-4.78D-06 OVMax= 1.04D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.64D-07    CP:  1.00D+00  9.71D-01  3.54D-01  6.75D-01
 E= -1013.45122158841     Delta-E=       -0.000000059847 Rises=F Damp=F
 DIIS: error= 6.93D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45122158841     IErMin= 5 ErrMin= 6.93D-06
 ErrMax= 6.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-08 BMatP= 9.95D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.365D-04 0.158D+00 0.543D-01 0.388D+00 0.399D+00
 Coeff:      0.365D-04 0.158D+00 0.543D-01 0.388D+00 0.399D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.41D-07 MaxDP=2.49D-05 DE=-5.98D-08 OVMax= 4.42D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.75D-07    CP:  1.00D+00  9.71D-01  3.46D-01  6.80D-01  5.60D-01
 E= -1013.45122161689     Delta-E=       -0.000000028484 Rises=F Damp=F
 DIIS: error= 3.03D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45122161689     IErMin= 6 ErrMin= 3.03D-07
 ErrMax= 3.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-10 BMatP= 3.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.283D-04 0.349D-01 0.121D-01 0.948D-01 0.122D+00 0.736D+00
 Coeff:     -0.283D-04 0.349D-01 0.121D-01 0.948D-01 0.122D+00 0.736D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.51D-08 MaxDP=2.59D-06 DE=-2.85D-08 OVMax= 3.00D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.51D-08    CP:  1.00D+00  9.71D-01  3.48D-01  6.83D-01  5.74D-01
                    CP:  9.17D-01
 E= -1013.45122161698     Delta-E=       -0.000000000092 Rises=F Damp=F
 DIIS: error= 1.72D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45122161698     IErMin= 7 ErrMin= 1.72D-07
 ErrMax= 1.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.24D-11 BMatP= 1.36D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.219D-04 0.989D-02 0.348D-02 0.292D-01 0.431D-01 0.395D+00
 Coeff-Com:  0.519D+00
 Coeff:     -0.219D-04 0.989D-02 0.348D-02 0.292D-01 0.431D-01 0.395D+00
 Coeff:      0.519D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.97D-08 MaxDP=7.88D-07 DE=-9.19D-11 OVMax= 8.86D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.30D-08    CP:  1.00D+00  9.71D-01  3.48D-01  6.83D-01  5.73D-01
                    CP:  9.28D-01  6.82D-01
 E= -1013.45122161705     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 3.18D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45122161705     IErMin= 8 ErrMin= 3.18D-08
 ErrMax= 3.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-12 BMatP= 3.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.735D-05 0.194D-02 0.702D-03 0.623D-02 0.104D-01 0.122D+00
 Coeff-Com:  0.234D+00 0.625D+00
 Coeff:     -0.735D-05 0.194D-02 0.702D-03 0.623D-02 0.104D-01 0.122D+00
 Coeff:      0.234D+00 0.625D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.99D-09 MaxDP=3.39D-07 DE=-6.87D-11 OVMax= 4.87D-07

 Error on total polarization charges =  0.04286
 SCF Done:  E(RB97D) =  -1013.45122162     A.U. after    8 cycles
            NFock=  8  Conv=0.50D-08     -V/T= 2.0213
 KE= 9.923518344612D+02 PE=-6.026719682284D+03 EE= 2.173285047849D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:31:23 2016, MaxMem=  2952790016 cpu:      1110.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11974 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 01:31:31 2016, MaxMem=  2952790016 cpu:        97.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:31:31 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:32:08 2016, MaxMem=  2952790016 cpu:       441.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.33813325D+00-2.71993706D+00 3.32481909D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000440388   -0.000261360    0.000043708
      2        6          -0.000054054    0.000132863    0.000042764
      3        8           0.000004781    0.000005525    0.000030022
      4        7          -0.000066629    0.000056032   -0.000075638
      5        1           0.000041116    0.000021893    0.000001330
      6        6           0.000005993    0.000063426    0.000081808
      7        1           0.000028175    0.000023264    0.000069716
      8        1           0.000104470   -0.000057774    0.000055109
      9        1           0.000038437   -0.000015836    0.000030012
     10        6          -0.000015040    0.000035737    0.000006247
     11        1           0.000002151    0.000062874    0.000007551
     12        1           0.000013756    0.000014294    0.000014260
     13        1           0.000019871    0.000022487    0.000014359
     14        6          -0.000015407   -0.000022961   -0.000026280
     15        8          -0.000016461   -0.000007817   -0.000024606
     16        7          -0.000028706    0.000004841   -0.000031709
     17        1          -0.000010694    0.000008499   -0.000034148
     18        6          -0.000071554   -0.000014121   -0.000017980
     19        1          -0.000001333    0.000018971   -0.000050246
     20        1          -0.000007144    0.000010412   -0.000042743
     21        1           0.000024309    0.000046395   -0.000045176
     22        6          -0.000064969    0.000038142   -0.000054974
     23        1           0.000009264   -0.000001455   -0.000021633
     24        1          -0.000071838    0.000008905    0.000004041
     25        1           0.000003850    0.000025543   -0.000030332
     26        6           0.000012498   -0.000048042    0.000012958
     27        8          -0.000018110   -0.000018245    0.000037595
     28        7          -0.000039439   -0.000034468    0.000006599
     29        1           0.000033769    0.000008446    0.000042939
     30        6          -0.000009547   -0.000002953    0.000024845
     31        1          -0.000006618   -0.000010026    0.000002423
     32        1           0.000013288    0.000009469   -0.000008356
     33        1          -0.000009425    0.000003154    0.000003308
     34        6          -0.000030335    0.000008237    0.000038121
     35        1          -0.000015677   -0.000016457    0.000014568
     36        1          -0.000062075   -0.000025734   -0.000043112
     37        1           0.000020267   -0.000053514    0.000015571
     38        6           0.000002880    0.000036275   -0.000050490
     39        8          -0.000010416    0.000050818    0.000045924
     40        7           0.000000005    0.000048913    0.000047156
     41        1           0.000050249   -0.000066923   -0.000043450
     42        6           0.000071556    0.000038159    0.000037047
     43        1           0.000016896   -0.000016896   -0.000018873
     44        1          -0.000119888   -0.000017582   -0.000008061
     45        1          -0.000017586    0.000071675   -0.000115153
     46        6          -0.000059182   -0.000026787    0.000061848
     47        1          -0.000002926   -0.000032468   -0.000050814
     48        1          -0.000113188   -0.000101484    0.000021256
     49        1          -0.000019726   -0.000022345   -0.000019311
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000440388 RMS     0.000058905
 Leave Link  716 at Mon Nov 14 01:32:08 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000069042 RMS     0.000013857
 Search for a local minimum.
 Step number  28 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .13857D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28
 DE= -9.24D-06 DEPred=-3.39D-06 R= 2.72D+00
 TightC=F SS=  1.41D+00  RLast= 4.84D-02 DXNew= 2.2445D+00 1.4510D-01
 Trust test= 2.72D+00 RLast= 4.84D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00029   0.00068   0.00132   0.00194   0.00352
     Eigenvalues ---    0.00360   0.00398   0.00451   0.00524   0.00626
     Eigenvalues ---    0.00709   0.00765   0.00783   0.00885   0.00900
     Eigenvalues ---    0.00918   0.01023   0.01037   0.01156   0.01208
     Eigenvalues ---    0.01237   0.01308   0.01338   0.01430   0.01526
     Eigenvalues ---    0.01552   0.01627   0.01691   0.01737   0.01788
     Eigenvalues ---    0.01835   0.01866   0.01887   0.01948   0.02014
     Eigenvalues ---    0.02111   0.02162   0.02252   0.02381   0.02452
     Eigenvalues ---    0.02678   0.02788   0.03068   0.03237   0.03659
     Eigenvalues ---    0.04150   0.04391   0.04716   0.04868   0.05328
     Eigenvalues ---    0.05480   0.05827   0.05988   0.06167   0.06382
     Eigenvalues ---    0.06599   0.06777   0.07246   0.07359   0.07534
     Eigenvalues ---    0.07721   0.07926   0.08022   0.08222   0.08268
     Eigenvalues ---    0.08412   0.08510   0.08582   0.08807   0.08812
     Eigenvalues ---    0.09035   0.09098   0.09385   0.09820   0.09825
     Eigenvalues ---    0.10012   0.10087   0.10105   0.10251   0.10347
     Eigenvalues ---    0.10517   0.10597   0.10629   0.10801   0.11246
     Eigenvalues ---    0.11306   0.11437   0.11662   0.12164   0.13221
     Eigenvalues ---    0.13486   0.14138   0.14632   0.15225   0.15327
     Eigenvalues ---    0.15621   0.16399   0.22046   0.23156   0.23669
     Eigenvalues ---    0.23966   0.24436   0.25030   0.25810   0.26543
     Eigenvalues ---    0.27016   0.27820   0.28596   0.29295   0.29720
     Eigenvalues ---    0.29880   0.29970   0.32721   0.32733   0.32821
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33427   0.33452   0.33494   0.33688
     Eigenvalues ---    0.33792   0.33830   0.33831   0.33915   0.33940
     Eigenvalues ---    0.33998   0.34008   0.34154   0.37276   0.39324
     Eigenvalues ---    0.40608   0.41407   0.85935   0.85994   0.86080
     Eigenvalues ---    0.87319
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    28   27   26   25   24
 RFO step:  Lambda=-1.12208469D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  7.25D-06 SmlDif=  1.00D-05
 RMS Error=  0.1334132658D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.81912    0.31394   -3.02136    2.45970   -0.57139
 Iteration  1 RMS(Cart)=  0.00483316 RMS(Int)=  0.00002904
 Iteration  2 RMS(Cart)=  0.00002151 RMS(Int)=  0.00001414
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001414
 ITry= 1 IFail=0 DXMaxC= 4.79D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.60830   0.00000  -0.00500  -0.00209  -0.00710   6.60120
    R2        6.25311   0.00000   0.00373   0.00129   0.00501   6.25812
    R3        7.17053   0.00000   0.01165   0.00535   0.01705   7.18759
    R4        6.21345  -0.00001   0.00875   0.00501   0.01368   6.22713
    R5        6.54547  -0.00001  -0.00538  -0.00338  -0.00875   6.53672
    R6        5.94194   0.00000   0.00267  -0.00048   0.00220   5.94415
    R7        6.71326  -0.00002  -0.00313  -0.00062  -0.00375   6.70951
    R8        6.22623   0.00000   0.00004   0.00008   0.00011   6.22634
    R9        6.64722   0.00000   0.00025   0.00013   0.00038   6.64760
   R10        6.06082   0.00000   0.00038   0.00179   0.00217   6.06299
   R11        6.96337   0.00002  -0.00158   0.00037  -0.00120   6.96217
   R12        6.02402   0.00001   0.00001   0.00145   0.00146   6.02547
   R13        6.89283  -0.00001   0.00135  -0.00133   0.00002   6.89284
   R14        6.19930  -0.00001   0.00047  -0.00058  -0.00011   6.19919
   R15        6.87183   0.00002   0.00040  -0.00029   0.00011   6.87194
   R16        5.95619   0.00001   0.00004  -0.00028  -0.00024   5.95595
   R17        6.69812  -0.00003   0.00087  -0.00100  -0.00013   6.69799
   R18        6.67261  -0.00003  -0.01536  -0.00058  -0.01596   6.65664
   R19        6.21164   0.00000  -0.00037   0.00056   0.00020   6.21184
   R20        6.67007   0.00003   0.00323  -0.00330  -0.00005   6.67002
   R21        6.00678   0.00003   0.00212   0.00184   0.00395   6.01073
   R22        6.90086   0.00000  -0.00305   0.00308   0.00001   6.90087
   R23        5.95324   0.00002   0.00354  -0.00094   0.00260   5.95584
   R24        2.34917   0.00001   0.00015   0.00005   0.00021   2.34938
   R25        2.57213  -0.00001  -0.00023  -0.00001  -0.00020   2.57193
   R26        2.09488  -0.00002  -0.00005  -0.00004  -0.00009   2.09479
   R27        2.76518   0.00003  -0.00033   0.00022  -0.00010   2.76508
   R28        2.76778   0.00002   0.00003   0.00012   0.00015   2.76792
   R29        2.07674   0.00000  -0.00004   0.00002  -0.00002   2.07672
   R30        2.08248   0.00002   0.00016   0.00004   0.00013   2.08260
   R31        2.08253   0.00001  -0.00007  -0.00006  -0.00013   2.08240
   R32        2.08067   0.00001   0.00014   0.00002   0.00015   2.08083
   R33        2.07445   0.00001  -0.00001   0.00003   0.00002   2.07447
   R34        2.08342   0.00000  -0.00003  -0.00001  -0.00004   2.08338
   R35        2.34874   0.00001   0.00002   0.00002   0.00004   2.34878
   R36        2.57150   0.00000   0.00007  -0.00001   0.00008   2.57159
   R37        2.09380   0.00000  -0.00001   0.00001   0.00000   2.09380
   R38        2.76845   0.00000   0.00004   0.00002   0.00007   2.76853
   R39        2.76501  -0.00002  -0.00007   0.00007   0.00002   2.76503
   R40        2.08159   0.00001   0.00008  -0.00002   0.00005   2.08164
   R41        2.08400   0.00000  -0.00002   0.00000  -0.00002   2.08398
   R42        2.07457   0.00001   0.00003  -0.00001   0.00002   2.07458
   R43        2.08323   0.00000   0.00001   0.00000   0.00001   2.08325
   R44        2.08398   0.00001   0.00003   0.00000  -0.00001   2.08396
   R45        2.07677   0.00000   0.00000   0.00000   0.00001   2.07678
   R46        2.34809   0.00001   0.00004  -0.00002   0.00002   2.34811
   R47        2.57197   0.00001  -0.00007  -0.00001  -0.00009   2.57188
   R48        2.09361   0.00000   0.00000   0.00000   0.00000   2.09361
   R49        2.76483  -0.00002  -0.00025   0.00005  -0.00020   2.76462
   R50        2.76832   0.00000  -0.00004   0.00000  -0.00004   2.76828
   R51        2.08444   0.00000   0.00002  -0.00001   0.00001   2.08445
   R52        2.08197   0.00000  -0.00011   0.00006  -0.00004   2.08192
   R53        2.07590   0.00000   0.00003   0.00000   0.00003   2.07592
   R54        2.08530   0.00000   0.00002   0.00000   0.00002   2.08532
   R55        2.07362   0.00000  -0.00005   0.00001  -0.00003   2.07359
   R56        2.07842   0.00000  -0.00001   0.00000  -0.00001   2.07841
   R57        2.34820  -0.00001   0.00006  -0.00005   0.00001   2.34821
   R58        2.57258   0.00000   0.00042  -0.00005   0.00037   2.57294
   R59        2.09554   0.00000  -0.00004  -0.00002  -0.00006   2.09547
   R60        2.76791  -0.00001   0.00033   0.00003   0.00038   2.76829
   R61        2.76493   0.00002   0.00063  -0.00013   0.00051   2.76544
   R62        2.07363   0.00003  -0.00013   0.00019   0.00006   2.07369
   R63        2.08429  -0.00002  -0.00022   0.00001  -0.00022   2.08407
   R64        2.08086  -0.00001   0.00033  -0.00007   0.00025   2.08111
   R65        2.07682   0.00000   0.00004  -0.00002   0.00002   2.07684
   R66        2.08415  -0.00001   0.00025  -0.00003   0.00023   2.08438
   R67        2.08338  -0.00002  -0.00025   0.00000  -0.00025   2.08313
    A1        0.68522   0.00001  -0.00063  -0.00027  -0.00090   0.68432
    A2        0.96254   0.00001  -0.00147  -0.00058  -0.00204   0.96050
    A3        0.72530   0.00001   0.00070   0.00036   0.00107   0.72638
    A4        1.01879   0.00000   0.00042   0.00030   0.00071   1.01951
    A5        2.32176   0.00001   0.00196   0.00082   0.00278   2.32454
    A6        2.00108   0.00001   0.00168   0.00080   0.00248   2.00356
    A7        1.95748   0.00000   0.00105   0.00069   0.00174   1.95922
    A8        1.66460  -0.00001   0.00082   0.00053   0.00136   1.66596
    A9        1.63234   0.00001   0.00170   0.00082   0.00251   1.63485
   A10        1.35006   0.00001   0.00170   0.00084   0.00253   1.35260
   A11        1.73867   0.00001   0.00002  -0.00014  -0.00013   1.73854
   A12        2.03837   0.00001   0.00056   0.00018   0.00073   2.03911
   A13        1.93588   0.00002   0.00153   0.00058   0.00210   1.93798
   A14        2.01797   0.00002   0.00201   0.00068   0.00268   2.02065
   A15        2.43605   0.00001   0.00002   0.00001   0.00002   2.43607
   A16        1.55465  -0.00002  -0.00234   0.00046  -0.00187   1.55278
   A17        1.77705  -0.00002  -0.00280  -0.00038  -0.00318   1.77387
   A18        1.58541  -0.00003  -0.00343  -0.00142  -0.00486   1.58055
   A19        1.71787  -0.00004  -0.00418  -0.00091  -0.00510   1.71277
   A20        2.18880  -0.00002  -0.00247  -0.00059  -0.00305   2.18574
   A21        2.41214  -0.00001  -0.00378  -0.00050  -0.00428   2.40785
   A22        0.65132   0.00001  -0.00083  -0.00027  -0.00110   0.65022
   A23        0.66185   0.00000  -0.00042  -0.00005  -0.00048   0.66138
   A24        2.38093   0.00001   0.00061   0.00017   0.00077   2.38170
   A25        2.20130   0.00001   0.00077   0.00038   0.00113   2.20243
   A26        2.29927   0.00000   0.00068   0.00053   0.00120   2.30047
   A27        2.03520  -0.00001   0.00057   0.00041   0.00098   2.03618
   A28        1.79447   0.00001   0.00066   0.00038   0.00103   1.79550
   A29        1.55029   0.00001   0.00102   0.00055   0.00157   1.55186
   A30        1.34393   0.00001   0.00013  -0.00010   0.00002   1.34395
   A31        1.64128   0.00001   0.00016  -0.00001   0.00015   1.64143
   A32        1.58903   0.00002   0.00029   0.00002   0.00030   1.58933
   A33        1.73870   0.00001   0.00030  -0.00006   0.00023   1.73893
   A34        2.03837   0.00001   0.00003   0.00001   0.00004   2.03841
   A35        1.79166  -0.00002  -0.00006   0.00166   0.00160   1.79326
   A36        1.88307  -0.00001  -0.00063   0.00084   0.00021   1.88329
   A37        1.55789  -0.00002  -0.00099   0.00001  -0.00098   1.55691
   A38        1.57316  -0.00003  -0.00197   0.00033  -0.00163   1.57153
   A39        2.26032   0.00000  -0.00051   0.00018  -0.00032   2.26000
   A40        2.35603   0.00001  -0.00260   0.00058  -0.00202   2.35401
   A41        0.69486   0.00000  -0.00097  -0.00027  -0.00124   0.69362
   A42        0.75749  -0.00001  -0.00226  -0.00074  -0.00300   0.75449
   A43        2.66023   0.00000  -0.00128  -0.00061  -0.00190   2.65833
   A44        2.58809   0.00001  -0.00041  -0.00010  -0.00052   2.58757
   A45        2.64076   0.00001   0.00063   0.00051   0.00113   2.64189
   A46        2.33578   0.00000   0.00076   0.00051   0.00126   2.33704
   A47        2.18067   0.00001  -0.00049  -0.00008  -0.00058   2.18008
   A48        1.94235   0.00002   0.00009   0.00018   0.00027   1.94261
   A49        1.10803   0.00000  -0.00100  -0.00061  -0.00161   1.10642
   A50        1.46808   0.00000  -0.00127  -0.00061  -0.00188   1.46619
   A51        1.57069   0.00000  -0.00174  -0.00080  -0.00254   1.56815
   A52        1.80562   0.00000  -0.00190  -0.00091  -0.00281   1.80281
   A53        1.79202   0.00000  -0.00092  -0.00041  -0.00133   1.79070
   A54        1.62456   0.00000   0.00273   0.00282   0.00555   1.63012
   A55        1.59141  -0.00001   0.00155   0.00181   0.00337   1.59478
   A56        1.21223  -0.00001   0.00105   0.00099   0.00206   1.21429
   A57        1.18682  -0.00003  -0.00060   0.00091   0.00033   1.18716
   A58        1.91744   0.00000   0.00123   0.00081   0.00205   1.91949
   A59        1.96969   0.00001  -0.00144   0.00108  -0.00035   1.96934
   A60        0.85071  -0.00001   0.00015   0.00030   0.00046   0.85117
   A61        0.79492  -0.00002  -0.00090  -0.00007  -0.00095   0.79397
   A62        2.61410  -0.00002   0.00031   0.00012   0.00045   2.61455
   A63        2.76595   0.00000   0.00030   0.00027   0.00061   2.76656
   A64        2.59327   0.00001  -0.00045   0.00000  -0.00044   2.59283
   A65        2.38605   0.00001   0.00009   0.00028   0.00040   2.38646
   A66        2.18459   0.00001   0.00042   0.00042   0.00088   2.18547
   A67        0.87277  -0.00001   0.00007  -0.00015  -0.00008   0.87270
   A68        1.24914  -0.00001  -0.00008  -0.00009  -0.00016   1.24898
   A69        1.43378  -0.00002  -0.00043  -0.00018  -0.00061   1.43318
   A70        1.70511  -0.00002  -0.00057  -0.00024  -0.00080   1.70431
   A71        1.53224  -0.00001   0.00013   0.00001   0.00014   1.53237
   A72        1.62593   0.00001   0.00193   0.00226   0.00418   1.63011
   A73        1.48822   0.00001   0.00086   0.00142   0.00227   1.49049
   A74        1.07129   0.00001   0.00080   0.00097   0.00175   1.07304
   A75        0.97355  -0.00002  -0.00044   0.00096   0.00051   0.97406
   A76        1.74437   0.00001   0.00068   0.00039   0.00107   1.74543
   A77        1.73991   0.00002  -0.00172   0.00093  -0.00079   1.73912
   A78        1.98781   0.00001   0.00004  -0.00019  -0.00015   1.98766
   A79        1.92482   0.00001   0.00008  -0.00006   0.00001   1.92483
   A80        2.20048   0.00001   0.00000   0.00007   0.00006   2.20054
   A81        2.05703   0.00000  -0.00010  -0.00003  -0.00013   2.05690
   A82        1.53567   0.00001  -0.00002   0.00000  -0.00003   1.53564
   A83        1.36392   0.00001   0.00062   0.00028   0.00090   1.36482
   A84        1.19030   0.00001   0.00141   0.00057   0.00199   1.19228
   A85        1.37618   0.00001   0.00124   0.00048   0.00172   1.37790
   A86        1.21072   0.00001   0.00089   0.00025   0.00113   1.21185
   A87        1.31792   0.00001   0.00049  -0.00005   0.00043   1.31835
   A88        1.80194   0.00001   0.00118   0.00055   0.00173   1.80367
   A89        2.22475  -0.00001   0.00003   0.00176   0.00177   2.22652
   A90        2.28317  -0.00001   0.00031   0.00141   0.00172   2.28489
   A91        1.90284  -0.00001   0.00046   0.00094   0.00140   1.90424
   A92        1.82004  -0.00002  -0.00002   0.00137   0.00135   1.82138
   A93        2.59501   0.00000   0.00081   0.00069   0.00151   2.59652
   A94        2.53567   0.00002  -0.00114   0.00127   0.00016   2.53583
   A95        1.90446   0.00001   0.00096   0.00011   0.00107   1.90553
   A96        1.97544   0.00001   0.00131   0.00037   0.00168   1.97712
   A97        2.34871   0.00001   0.00130   0.00049   0.00179   2.35050
   A98        2.30047   0.00000   0.00108   0.00039   0.00148   2.30196
   A99        1.64377   0.00002   0.00128   0.00050   0.00178   1.64555
   A100       1.54427   0.00002   0.00203   0.00084   0.00288   1.54715
   A101       0.88515   0.00000   0.00072   0.00030   0.00101   0.88617
   A102       1.05618   0.00001   0.00082   0.00025   0.00106   1.05725
   A103       0.92833   0.00001   0.00075   0.00010   0.00085   0.92917
   A104       1.09036   0.00001   0.00057  -0.00009   0.00048   1.09083
   A105       1.48180   0.00001   0.00076   0.00032   0.00107   1.48286
   A106       2.38205  -0.00001   0.00047   0.00208   0.00253   2.38458
   A107       2.27851  -0.00001   0.00009   0.00139   0.00148   2.27999
   A108       1.85342  -0.00001   0.00021   0.00110   0.00131   1.85472
   A109       1.68122  -0.00002  -0.00027   0.00128   0.00101   1.68223
   A110       2.43717   0.00001   0.00028   0.00025   0.00053   2.43770
   A111       2.27534   0.00002  -0.00162   0.00083  -0.00078   2.27456
   A112       0.71309   0.00000   0.00023   0.00002   0.00025   0.71334
   A113       1.00493   0.00000   0.00022  -0.00003   0.00019   1.00512
   A114       0.69475   0.00000   0.00024   0.00002   0.00027   0.69501
   A115       0.98204   0.00000   0.00034   0.00004   0.00038   0.98242
   A116       1.79766   0.00000   0.00066   0.00043   0.00110   1.79876
   A117       1.41796   0.00000   0.00077   0.00035   0.00111   1.41908
   A118       1.18253   0.00000   0.00083   0.00034   0.00117   1.18369
   A119       0.90913   0.00000   0.00087   0.00036   0.00123   0.91035
   A120       1.24665   0.00000   0.00068   0.00033   0.00101   1.24767
   A121       1.99560   0.00000  -0.00157  -0.00224  -0.00380   1.99180
   A122       2.01014   0.00000  -0.00017  -0.00113  -0.00130   2.00884
   A123       2.33702   0.00001   0.00067   0.00003   0.00070   2.33772
   A124       2.24352   0.00003   0.00225   0.00011   0.00235   2.24586
   A125       1.64166  -0.00001  -0.00008  -0.00035  -0.00043   1.64123
   A126       1.50675  -0.00001   0.00191  -0.00061   0.00131   1.50806
   A127       0.65677   0.00000  -0.00002  -0.00011  -0.00014   0.65663
   A128       0.66174  -0.00001  -0.00009  -0.00008  -0.00018   0.66157
   A129       2.15523   0.00000   0.00119   0.00065   0.00184   2.15707
   A130       1.78549   0.00000   0.00122   0.00053   0.00175   1.78724
   A131       1.48775   0.00001   0.00146   0.00061   0.00208   1.48983
   A132       1.19561   0.00001   0.00153   0.00061   0.00214   1.19775
   A133       1.63948   0.00000   0.00086   0.00035   0.00121   1.64069
   A134       1.85342   0.00000  -0.00285  -0.00259  -0.00542   1.84800
   A135       2.02781   0.00000  -0.00129  -0.00172  -0.00301   2.02480
   A136       2.44583   0.00000  -0.00108  -0.00121  -0.00230   2.44353
   A137       2.50798   0.00002   0.00106  -0.00078   0.00026   2.50824
   A138       1.76170  -0.00001  -0.00076  -0.00061  -0.00137   1.76033
   A139       1.72467  -0.00002   0.00180  -0.00099   0.00082   1.72549
   A140       0.70502  -0.00001   0.00003  -0.00002   0.00001   0.70503
   A141       0.83673  -0.00001  -0.00063  -0.00022  -0.00086   0.83587
   A142       2.49498   0.00000   0.00055   0.00025   0.00081   2.49578
   A143       2.11501   0.00000   0.00071   0.00020   0.00091   2.11592
   A144       1.88859   0.00001   0.00122   0.00046   0.00168   1.89028
   A145       1.60322   0.00001   0.00134   0.00051   0.00186   1.60507
   A146       1.84229   0.00000   0.00026  -0.00008   0.00017   1.84246
   A147       1.42777   0.00000  -0.00294  -0.00260  -0.00554   1.42223
   A148       1.64547   0.00000  -0.00168  -0.00189  -0.00357   1.64190
   A149       2.07266  -0.00001  -0.00184  -0.00172  -0.00357   2.06909
   A150       2.24670   0.00001  -0.00064  -0.00167  -0.00232   2.24439
   A151       1.46968  -0.00001  -0.00120  -0.00077  -0.00197   1.46771
   A152       1.53451  -0.00002   0.00143  -0.00133   0.00011   1.53462
   A153       0.76637  -0.00001  -0.00007  -0.00022  -0.00029   0.76608
   A154       0.77205  -0.00002  -0.00094  -0.00051  -0.00146   0.77059
   A155       2.80246   0.00000   0.00083   0.00038   0.00122   2.80368
   A156       2.42167   0.00000   0.00088   0.00027   0.00116   2.42282
   A157       2.14239   0.00000   0.00150   0.00053   0.00204   2.14443
   A158       1.84920   0.00000   0.00157   0.00052   0.00209   1.85130
   A159       2.15459   0.00000   0.00017  -0.00008   0.00009   2.15468
   A160       1.28986   0.00000  -0.00341  -0.00237  -0.00578   1.28408
   A161       1.59609   0.00000  -0.00213  -0.00178  -0.00392   1.59218
   A162       1.99780  -0.00001  -0.00255  -0.00196  -0.00452   1.99328
   A163       2.25504   0.00000  -0.00190  -0.00187  -0.00377   2.25127
   A164       1.54389  -0.00001  -0.00149  -0.00063  -0.00212   1.54178
   A165       1.68799  -0.00002   0.00106  -0.00124  -0.00018   1.68781
   A166       2.13420   0.00001   0.00183   0.00104   0.00287   2.13707
   A167       1.84085   0.00000   0.00183   0.00090   0.00274   1.84359
   A168       1.45327   0.00001   0.00197   0.00093   0.00291   1.45618
   A169       1.17591   0.00001   0.00197   0.00083   0.00281   1.17872
   A170       1.85749   0.00000   0.00142   0.00069   0.00213   1.85962
   A171       2.05519  -0.00001  -0.00354  -0.00256  -0.00609   2.04910
   A172       2.34279  -0.00001  -0.00189  -0.00197  -0.00386   2.33893
   A173       2.76201  -0.00002  -0.00244  -0.00208  -0.00453   2.75748
   A174       2.15197  -0.00002  -0.00089  -0.00070  -0.00158   2.15039
   A175       2.13212  -0.00002   0.00191  -0.00099   0.00093   2.13305
   A176       2.23287   0.00002   0.00293   0.00145   0.00439   2.23726
   A177       2.02000   0.00001   0.00286   0.00130   0.00417   2.02417
   A178       1.60908   0.00002   0.00297   0.00130   0.00429   1.61336
   A179       1.36175   0.00001   0.00284   0.00112   0.00397   1.36572
   A180       2.11792   0.00001   0.00213   0.00098   0.00311   2.12102
   A181       1.98163  -0.00002  -0.00468  -0.00253  -0.00721   1.97442
   A182       2.34546  -0.00001  -0.00338  -0.00227  -0.00565   2.33981
   A183       2.66758  -0.00002  -0.00410  -0.00259  -0.00670   2.66088
   A184       2.29832  -0.00002  -0.00213  -0.00107  -0.00318   2.29514
   A185       2.35835  -0.00003   0.00116  -0.00138  -0.00021   2.35814
   A186       0.69070   0.00000  -0.00017   0.00009  -0.00009   0.69062
   A187       0.98120   0.00000  -0.00023   0.00013  -0.00010   0.98111
   A188       0.69872   0.00000  -0.00013   0.00010  -0.00003   0.69868
   A189       2.06644   0.00000   0.00175   0.00119   0.00293   2.06937
   A190       1.70101   0.00000   0.00050   0.00076   0.00126   1.70227
   A191       1.35729   0.00001   0.00111   0.00124   0.00236   1.35966
   A192       1.05764   0.00001   0.00090   0.00105   0.00195   1.05959
   A193       1.62005   0.00001  -0.00008  -0.00026  -0.00033   1.61972
   A194       1.40021   0.00001  -0.00204   0.00043  -0.00161   1.39861
   A195       0.66656   0.00000  -0.00011   0.00010  -0.00001   0.66655
   A196       2.23369   0.00000   0.00149   0.00050   0.00198   2.23567
   A197       1.83801   0.00000   0.00051   0.00046   0.00097   1.83899
   A198       1.59561   0.00001   0.00123   0.00129   0.00253   1.59814
   A199       1.28282   0.00002   0.00141   0.00098   0.00239   1.28521
   A200       1.61429   0.00001  -0.00007  -0.00037  -0.00044   1.61385
   A201       1.33947   0.00001  -0.00136   0.00017  -0.00118   1.33829
   A202       0.70931   0.00000  -0.00008   0.00011   0.00003   0.70934
   A203       2.63096   0.00000   0.00127   0.00016   0.00143   2.63239
   A204       2.23877   0.00000   0.00046   0.00036   0.00083   2.23961
   A205       2.00588   0.00001   0.00113   0.00132   0.00246   2.00834
   A206       1.69316   0.00001   0.00125   0.00103   0.00229   1.69545
   A207       1.95592   0.00000  -0.00008  -0.00040  -0.00047   1.95545
   A208       1.66634   0.00000  -0.00082   0.00002  -0.00079   1.66555
   A209       0.83343   0.00000  -0.00008   0.00024   0.00016   0.83359
   A210       2.70452   0.00000   0.00047  -0.00091  -0.00045   2.70407
   A211       2.37857   0.00000   0.00047   0.00011   0.00059   2.37916
   A212       2.25052   0.00001   0.00119   0.00137   0.00258   2.25310
   A213       1.94086   0.00002   0.00147   0.00104   0.00251   1.94337
   A214       2.01354   0.00000  -0.00001  -0.00028  -0.00029   2.01326
   A215       1.72956   0.00000  -0.00009  -0.00004  -0.00012   1.72944
   A216       1.93089   0.00000   0.00117  -0.00027   0.00090   1.93179
   A217       1.55504   0.00000   0.00055   0.00003   0.00058   1.55563
   A218       1.45467   0.00001   0.00134   0.00103   0.00238   1.45704
   A219       1.17152   0.00002   0.00192   0.00061   0.00253   1.17406
   A220       1.24693   0.00000   0.00001  -0.00050  -0.00050   1.24643
   A221       0.95832   0.00000  -0.00084  -0.00006  -0.00089   0.95743
   A222       0.71503  -0.00001   0.00076   0.00018   0.00094   0.71597
   A223       1.00881  -0.00001   0.00084   0.00013   0.00098   1.00979
   A224       0.70002   0.00000   0.00085  -0.00018   0.00067   0.70069
   A225       0.98928   0.00000   0.00126  -0.00043   0.00084   0.99011
   A226       0.66124   0.00000   0.00004  -0.00014  -0.00009   0.66115
   A227       0.66587   0.00000   0.00004  -0.00004   0.00001   0.66588
   A228       0.70735   0.00001   0.00035  -0.00002   0.00034   0.70769
   A229       0.83623   0.00002  -0.00082   0.00084   0.00004   0.83626
   A230       0.77974   0.00003   0.00079  -0.00078   0.00002   0.77976
   A231       0.78336   0.00004  -0.00072   0.00023  -0.00048   0.78287
   A232       1.60888  -0.00003  -0.00704  -0.00312  -0.01017   1.59871
   A233       1.84889   0.00001   0.00561   0.00235   0.00798   1.85687
   A234       2.19127  -0.00002  -0.00030  -0.00005  -0.00034   2.19094
   A235       2.12894   0.00001   0.00018   0.00003   0.00021   2.12915
   A236       1.96260   0.00001   0.00014   0.00002   0.00014   1.96274
   A237       2.12166   0.00002   0.00035  -0.00004   0.00032   2.12198
   A238       2.12572   0.00002   0.00065   0.00017   0.00080   2.12652
   A239       2.03462  -0.00004  -0.00117  -0.00020  -0.00140   2.03322
   A240       1.83960  -0.00001   0.00808   0.00334   0.01143   1.85103
   A241       2.53262  -0.00001  -0.00826  -0.00338  -0.01162   2.52099
   A242       1.91258  -0.00003   0.00058   0.00004   0.00056   1.91314
   A243       1.91871  -0.00001  -0.00057   0.00011  -0.00044   1.91827
   A244       1.91742   0.00001  -0.00054  -0.00027  -0.00072   1.91671
   A245       1.90828   0.00004   0.00039   0.00007   0.00049   1.90877
   A246       1.90829   0.00002   0.00026   0.00013   0.00038   1.90867
   A247       1.89842  -0.00003  -0.00011  -0.00007  -0.00027   1.89815
   A248       1.31965  -0.00001  -0.00692  -0.00295  -0.00989   1.30976
   A249       1.90679   0.00000  -0.00030  -0.00003  -0.00033   1.90646
   A250       1.90855   0.00000   0.00049   0.00010   0.00058   1.90913
   A251       1.92697   0.00000  -0.00011  -0.00010  -0.00021   1.92676
   A252       1.91063   0.00001   0.00015   0.00002   0.00018   1.91080
   A253       1.89646   0.00000  -0.00001   0.00006   0.00005   1.89651
   A254       1.91432   0.00000  -0.00022  -0.00005  -0.00027   1.91405
   A255       1.72092  -0.00001  -0.00027  -0.00016  -0.00043   1.72049
   A256       1.77389  -0.00001  -0.00088  -0.00020  -0.00107   1.77282
   A257       2.19061  -0.00001  -0.00005   0.00005  -0.00001   2.19060
   A258       2.12998   0.00001   0.00011  -0.00005   0.00006   2.13004
   A259       1.96240   0.00001  -0.00006   0.00000  -0.00005   1.96235
   A260       2.12336   0.00001   0.00021  -0.00004   0.00017   2.12353
   A261       2.12428   0.00000   0.00001   0.00003   0.00005   2.12432
   A262       2.03543  -0.00001  -0.00025   0.00001  -0.00026   2.03517
   A263       1.34977  -0.00004  -0.00002  -0.00101  -0.00103   1.34874
   A264       1.90039  -0.00001  -0.00008  -0.00009  -0.00017   1.90022
   A265       1.93156   0.00001   0.00009  -0.00001   0.00008   1.93165
   A266       1.90994  -0.00002   0.00011  -0.00002   0.00009   1.91002
   A267       1.89793   0.00000  -0.00010   0.00007  -0.00003   1.89790
   A268       1.91291   0.00000  -0.00003  -0.00003  -0.00006   1.91285
   A269       1.91097   0.00002   0.00001   0.00008   0.00009   1.91106
   A270       2.65232   0.00001   0.00234   0.00094   0.00328   2.65561
   A271       1.71120  -0.00001  -0.00252  -0.00086  -0.00339   1.70781
   A272       1.92403   0.00001   0.00016   0.00002   0.00018   1.92421
   A273       1.91477  -0.00001  -0.00034  -0.00007  -0.00043   1.91434
   A274       1.91385  -0.00001   0.00007  -0.00005   0.00001   1.91386
   A275       1.89395   0.00000  -0.00018   0.00007  -0.00011   1.89384
   A276       1.91080   0.00000   0.00013  -0.00002   0.00011   1.91091
   A277       1.90623   0.00001   0.00016   0.00006   0.00023   1.90646
   A278       1.81210  -0.00002  -0.00009  -0.00026  -0.00035   1.81175
   A279       1.74972   0.00003   0.00043   0.00029   0.00072   1.75044
   A280       2.19027  -0.00001   0.00011  -0.00011   0.00000   2.19028
   A281       2.13040  -0.00001  -0.00020   0.00008  -0.00011   2.13028
   A282       1.96243   0.00001   0.00008   0.00004   0.00011   1.96254
   A283       2.12247   0.00000  -0.00019   0.00000  -0.00020   2.12227
   A284       2.11700  -0.00001   0.00002  -0.00012  -0.00010   2.11690
   A285       2.04025   0.00001   0.00011   0.00016   0.00028   2.04053
   A286       2.69531   0.00000  -0.00032  -0.00019  -0.00051   2.69480
   A287       1.66418   0.00000  -0.00008   0.00025   0.00018   1.66436
   A288       1.92558   0.00001   0.00032  -0.00003   0.00029   1.92587
   A289       1.91523  -0.00001  -0.00010   0.00014   0.00003   1.91526
   A290       1.91281   0.00000   0.00005  -0.00006  -0.00001   1.91280
   A291       1.89109   0.00001  -0.00037   0.00006  -0.00031   1.89078
   A292       1.91220   0.00000   0.00027  -0.00003   0.00023   1.91243
   A293       1.90671  -0.00001  -0.00016  -0.00008  -0.00024   1.90647
   A294       1.36795  -0.00005   0.00148  -0.00104   0.00044   1.36839
   A295       1.14178   0.00003  -0.00097   0.00073  -0.00024   1.14154
   A296       1.93205   0.00000  -0.00006   0.00004  -0.00003   1.93202
   A297       1.90746  -0.00001  -0.00001  -0.00008  -0.00009   1.90738
   A298       1.90207   0.00002   0.00005   0.00000   0.00005   1.90212
   A299       1.90982   0.00002  -0.00020   0.00003  -0.00017   1.90965
   A300       1.89725  -0.00001  -0.00002   0.00005   0.00003   1.89728
   A301       1.91512  -0.00001   0.00025  -0.00003   0.00021   1.91533
   A302       1.72222   0.00004   0.00156  -0.00165  -0.00007   1.72215
   A303       1.76136  -0.00007  -0.00954   0.00145  -0.00813   1.75323
   A304       2.19370   0.00001   0.00002   0.00006   0.00001   2.19371
   A305       2.12952   0.00001   0.00004   0.00017   0.00016   2.12968
   A306       1.95971  -0.00002  -0.00012  -0.00023  -0.00023   1.95948
   A307       2.12730  -0.00003  -0.00010  -0.00014  -0.00030   2.12700
   A308       2.12170  -0.00002  -0.00099   0.00000  -0.00096   2.12074
   A309       2.03357   0.00006   0.00083   0.00011   0.00096   2.03453
   A310       1.40983  -0.00001   0.00005  -0.00407  -0.00401   1.40582
   A311       2.94423   0.00004  -0.00070   0.00452   0.00381   2.94804
   A312       1.90897   0.00002  -0.00099   0.00014  -0.00079   1.90819
   A313       1.92795   0.00001   0.00097  -0.00034   0.00057   1.92852
   A314       1.90505   0.00002   0.00014  -0.00006   0.00009   1.90514
   A315       1.91434  -0.00002   0.00071  -0.00036   0.00035   1.91469
   A316       1.91393  -0.00006  -0.00102   0.00003  -0.00102   1.91291
   A317       1.89349   0.00004   0.00017   0.00060   0.00079   1.89428
   A318       1.69291  -0.00002  -0.00860   0.00484  -0.00376   1.68914
   A319       1.91407   0.00001  -0.00105   0.00019  -0.00086   1.91321
   A320       1.91393   0.00002   0.00023  -0.00008   0.00016   1.91409
   A321       1.92499  -0.00002   0.00012  -0.00006   0.00006   1.92505
   A322       1.90534  -0.00004  -0.00134   0.00038  -0.00096   1.90438
   A323       1.91160   0.00002   0.00106  -0.00024   0.00082   1.91242
   A324       1.89369   0.00001   0.00099  -0.00020   0.00079   1.89447
   A325       2.92002   0.00001  -0.00042   0.00011  -0.00030   2.91972
   A326       3.35021  -0.00003  -0.00248  -0.00010  -0.00259   3.34762
   A327       3.06793  -0.00003  -0.00248  -0.00008  -0.00257   3.06537
   A328       3.23397   0.00000  -0.00714  -0.00300  -0.01016   3.22381
   A329       3.26075  -0.00002  -0.00001  -0.00093  -0.00095   3.25980
   A330       3.27777  -0.00003   0.00128  -0.00101   0.00027   3.27803
   A331       3.60451  -0.00001  -0.00755   0.00460  -0.00295   3.60156
   A332       3.22431  -0.00002   0.00015   0.00020   0.00037   3.22467
   A333       3.05412  -0.00002  -0.00276  -0.00220  -0.00495   3.04917
   A334       2.99552  -0.00002  -0.00353  -0.00250  -0.00603   2.98949
   A335       3.23683   0.00000  -0.00015   0.00016   0.00000   3.23683
   A336       3.07683   0.00000  -0.00005   0.00050   0.00046   3.07729
   A337       3.09842   0.00001  -0.00042   0.00035  -0.00007   3.09835
   A338       3.03530   0.00001   0.00177  -0.00065   0.00111   3.03641
    D1        2.75947  -0.00002   0.00099   0.00068   0.00167   2.76114
    D2       -1.35606  -0.00002  -0.00013   0.00012  -0.00001  -1.35607
    D3        2.78587  -0.00003   0.00421   0.00215   0.00637   2.79224
    D4       -1.32966  -0.00003   0.00309   0.00159   0.00469  -1.32497
    D5        1.65501   0.00000   0.00281   0.00125   0.00406   1.65907
    D6       -2.46051   0.00000   0.00170   0.00069   0.00238  -2.45814
    D7        1.82574   0.00000   0.00512   0.00220   0.00732   1.83307
    D8       -2.28978   0.00000   0.00400   0.00164   0.00565  -2.28414
    D9        0.30367  -0.00001   0.00456   0.00229   0.00685   0.31051
   D10        2.47132  -0.00001   0.00344   0.00172   0.00517   2.47649
   D11        0.02690  -0.00001   0.00427   0.00208   0.00635   0.03324
   D12        2.19455  -0.00001   0.00315   0.00152   0.00467   2.19922
   D13       -0.43844  -0.00001   0.00406   0.00195   0.00601  -0.43243
   D14        1.72922  -0.00001   0.00295   0.00138   0.00433   1.73355
   D15       -0.56107   0.00000   0.00460   0.00227   0.00687  -0.55420
   D16        1.60659   0.00000   0.00348   0.00171   0.00519   1.61178
   D17        0.20709  -0.00001   0.00465   0.00211   0.00675   0.21384
   D18        2.37475  -0.00001   0.00353   0.00155   0.00507   2.37982
   D19        0.14848  -0.00001   0.00388   0.00181   0.00568   0.15416
   D20        2.31614  -0.00001   0.00276   0.00124   0.00400   2.32014
   D21        2.36403   0.00001   0.00695   0.00335   0.01031   2.37434
   D22       -1.75150   0.00000   0.00583   0.00279   0.00863  -1.74287
   D23        2.11477   0.00001   0.00783   0.00364   0.01148   2.12625
   D24       -2.00076   0.00001   0.00671   0.00308   0.00980  -1.99096
   D25        1.67549   0.00001   0.00743   0.00343   0.01087   1.68636
   D26       -2.44004   0.00001   0.00632   0.00286   0.00919  -2.43084
   D27        1.36864   0.00001   0.00741   0.00335   0.01077   1.37941
   D28       -2.74689   0.00001   0.00630   0.00278   0.00909  -2.73779
   D29        2.31221   0.00003   0.00949   0.00446   0.01396   2.32617
   D30       -1.80332   0.00003   0.00838   0.00390   0.01228  -1.79103
   D31       -1.84804   0.00000   0.00832   0.00463   0.01294  -1.83510
   D32        0.31962   0.00000   0.00720   0.00407   0.01126   0.33088
   D33       -2.17752   0.00000   0.00690   0.00403   0.01093  -2.16659
   D34       -0.00987   0.00000   0.00579   0.00347   0.00925  -0.00061
   D35       -2.56244   0.00001   0.00750   0.00437   0.01188  -2.55056
   D36       -0.39478   0.00001   0.00639   0.00381   0.01020  -0.38459
   D37       -2.84703   0.00001   0.00741   0.00431   0.01171  -2.83533
   D38       -0.67938   0.00001   0.00629   0.00374   0.01003  -0.66935
   D39       -2.16561   0.00002   0.00615   0.00274   0.00887  -2.15673
   D40        0.00205   0.00002   0.00503   0.00218   0.00719   0.00924
   D41       -2.41718   0.00003   0.00360   0.00379   0.00736  -2.40982
   D42       -0.24953   0.00003   0.00248   0.00322   0.00568  -0.24384
   D43        1.26350  -0.00002  -0.00488  -0.00233  -0.00721   1.25629
   D44       -1.97384  -0.00002  -0.00260  -0.00058  -0.00317  -1.97702
   D45        2.44566  -0.00001  -0.00232  -0.00125  -0.00356   2.44210
   D46       -0.79169  -0.00002  -0.00003   0.00050   0.00048  -0.79121
   D47        2.92218   0.00000  -0.00031  -0.00046  -0.00076   2.92142
   D48       -0.31516  -0.00001   0.00198   0.00129   0.00328  -0.31188
   D49        2.82082   0.00002   0.00040  -0.00004   0.00034   2.82116
   D50       -0.41652   0.00002   0.00269   0.00171   0.00438  -0.41215
   D51        2.02170   0.00001   0.00091   0.00023   0.00114   2.02284
   D52       -1.21565   0.00000   0.00320   0.00198   0.00518  -1.21047
   D53        1.15472  -0.00001   0.00099   0.00006   0.00106   1.15578
   D54       -2.08263  -0.00001   0.00327   0.00180   0.00510  -2.07753
   D55        1.01531   0.00000   0.00001  -0.00020  -0.00019   1.01512
   D56       -2.22204   0.00000   0.00230   0.00154   0.00385  -2.21819
   D57        2.00669   0.00000  -0.00027  -0.00046  -0.00073   2.00596
   D58       -1.23066   0.00000   0.00202   0.00129   0.00331  -1.22735
   D59        1.82203   0.00000  -0.00155  -0.00097  -0.00252   1.81951
   D60       -1.41532  -0.00001   0.00074   0.00078   0.00152  -1.41380
   D61       -2.31644   0.00001   0.00158   0.00052   0.00211  -2.31432
   D62        0.72940   0.00000   0.00387   0.00227   0.00615   0.73555
   D63       -2.44770   0.00001   0.00105   0.00021   0.00127  -2.44643
   D64        0.59814   0.00000   0.00334   0.00196   0.00530   0.60345
   D65       -2.84931   0.00001   0.00097   0.00012   0.00110  -2.84822
   D66        0.19653   0.00001   0.00326   0.00187   0.00513   0.20166
   D67       -3.02657   0.00001   0.00088  -0.00004   0.00084  -3.02573
   D68        0.01926   0.00001   0.00317   0.00171   0.00488   0.02414
   D69       -2.16966   0.00001   0.00052   0.00007   0.00059  -2.16907
   D70        0.87618   0.00001   0.00280   0.00182   0.00463   0.88080
   D71       -0.21577   0.00001   0.00232   0.00047   0.00279  -0.21298
   D72        2.83007   0.00001   0.00461   0.00222   0.00683   2.83690
   D73       -0.61038   0.00001   0.00141   0.00050   0.00191  -0.60846
   D74        2.43546   0.00000   0.00370   0.00224   0.00595   2.44141
   D75       -0.81159   0.00002   0.00273   0.00170   0.00444  -0.80715
   D76        2.23425   0.00002   0.00502   0.00345   0.00848   2.24273
   D77       -1.14644   0.00003   0.00306   0.00152   0.00459  -1.14186
   D78        1.89940   0.00002   0.00535   0.00327   0.00862   1.90802
   D79       -0.86766   0.00001   0.00040  -0.00049  -0.00009  -0.86775
   D80        2.17818   0.00001   0.00269   0.00126   0.00395   2.18213
   D81       -1.17485   0.00001  -0.00072  -0.00014  -0.00085  -1.17570
   D82        1.87099   0.00001   0.00157   0.00160   0.00319   1.87417
   D83       -1.51655  -0.00001  -0.00341  -0.00121  -0.00463  -1.52119
   D84       -2.59846  -0.00002  -0.00243  -0.00065  -0.00308  -2.60154
   D85       -2.93036  -0.00003  -0.00034   0.00032  -0.00002  -2.93037
   D86        0.72977   0.00000  -0.00066   0.00014  -0.00054   0.72924
   D87        0.31050  -0.00001  -0.00090   0.00010  -0.00081   0.30969
   D88       -0.06456  -0.00001  -0.00097   0.00022  -0.00075  -0.06531
   D89       -0.39750  -0.00001  -0.00091   0.00025  -0.00067  -0.39816
   D90        0.18706   0.00000  -0.00093  -0.00004  -0.00099   0.18606
   D91       -0.04642  -0.00001  -0.00160  -0.00030  -0.00192  -0.04834
   D92        2.38844   0.00000   0.00066   0.00094   0.00160   2.39004
   D93        2.04062   0.00000   0.00083   0.00084   0.00166   2.04228
   D94        1.64548   0.00000   0.00118   0.00096   0.00213   1.64761
   D95        1.35884   0.00000   0.00115   0.00082   0.00196   1.36080
   D96        2.04416   0.00000   0.00056   0.00069   0.00125   2.04541
   D97       -1.97830   0.00000   0.00382   0.00257   0.00640  -1.97190
   D98       -2.48532   0.00001   0.00253   0.00180   0.00434  -2.48098
   D99       -2.71300   0.00002   0.00250   0.00220   0.00470  -2.70830
   D100      -3.02814   0.00002   0.00278   0.00165   0.00442  -3.02373
   D101      -2.91282   0.00002   0.00234   0.00050   0.00286  -2.90996
   D102       2.84328   0.00001   0.00211   0.00018   0.00232   2.84560
   D103      -2.88574   0.00002   0.00026  -0.00031  -0.00005  -2.88580
   D104       1.20922   0.00002   0.00053  -0.00013   0.00040   1.20962
   D105       2.83821   0.00001  -0.00102  -0.00087  -0.00189   2.83632
   D106       0.64999   0.00001  -0.00075  -0.00069  -0.00144   0.64855
   D107       2.35108  -0.00002  -0.00170  -0.00112  -0.00278   2.34830
   D108       0.16286  -0.00002  -0.00143  -0.00094  -0.00233   0.16053
   D109       1.77728  -0.00001  -0.00024  -0.00059  -0.00087   1.77642
   D110      -0.41094  -0.00001   0.00003  -0.00041  -0.00042  -0.41135
   D111       2.61059   0.00001  -0.00016  -0.00041  -0.00057   2.61001
   D112       0.42237   0.00001   0.00011  -0.00023  -0.00012   0.42224
   D113       2.27743   0.00000  -0.00101  -0.00076  -0.00178   2.27565
   D114       0.08921   0.00000  -0.00074  -0.00058  -0.00133   0.08788
   D115      -1.60980   0.00000  -0.00024  -0.00010  -0.00034  -1.61014
   D116       2.48517   0.00000   0.00003   0.00007   0.00011   2.48528
   D117      -1.77173   0.00000  -0.00025  -0.00035  -0.00060  -1.77233
   D118       2.32324   0.00000   0.00002  -0.00018  -0.00015   2.32308
   D119      -2.73483   0.00001   0.00006  -0.00005   0.00002  -2.73481
   D120       1.36013   0.00001   0.00033   0.00013   0.00047   1.36060
   D121      -2.70339   0.00002   0.00109   0.00028   0.00138  -2.70200
   D122       1.39158   0.00002   0.00136   0.00046   0.00183   1.39341
   D123       1.35984   0.00000  -0.00198  -0.00119  -0.00317   1.35668
   D124      -0.82838   0.00000  -0.00171  -0.00101  -0.00272  -0.83109
   D125       1.32593   0.00000  -0.00194  -0.00118  -0.00313   1.32280
   D126      -0.86229   0.00000  -0.00167  -0.00100  -0.00268  -0.86497
   D127       1.68025  -0.00001  -0.00206  -0.00119  -0.00326   1.67700
   D128      -0.50797   0.00000  -0.00179  -0.00101  -0.00281  -0.51077
   D129       1.80382   0.00000  -0.00219  -0.00108  -0.00327   1.80055
   D130      -0.38440   0.00000  -0.00191  -0.00090  -0.00282  -0.38722
   D131       0.92404  -0.00001  -0.00177  -0.00121  -0.00298   0.92106
   D132      -1.26418   0.00000  -0.00149  -0.00104  -0.00253  -1.26671
   D133      -0.90563   0.00000  -0.00371  -0.00154  -0.00524  -0.91087
   D134      -3.09385   0.00000  -0.00344  -0.00136  -0.00479  -3.09864
   D135      -0.46956   0.00000  -0.00287  -0.00190  -0.00477  -0.47432
   D136      -2.65778   0.00000  -0.00260  -0.00173  -0.00432  -2.66209
   D137      -0.13122  -0.00002  -0.00427  -0.00333  -0.00762  -0.13884
   D138      -2.31944  -0.00002  -0.00400  -0.00316  -0.00717  -2.32661
   D139       0.26737  -0.00001  -0.00331  -0.00286  -0.00619   0.26118
   D140      -1.92085  -0.00001  -0.00304  -0.00269  -0.00574  -1.92659
   D141      -0.27804  -0.00001  -0.00195  -0.00088  -0.00282  -0.28086
   D142      -2.46626  -0.00001  -0.00168  -0.00070  -0.00237  -2.46863
   D143      -0.02042  -0.00001  -0.00028  -0.00143  -0.00172  -0.02213
   D144      -2.20864  -0.00001  -0.00001  -0.00125  -0.00126  -2.20990
   D145      -2.48077   0.00002   0.00195   0.00097   0.00292  -2.47785
   D146      -2.72603   0.00002   0.00065   0.00032   0.00096  -2.72507
   D147      -2.40652   0.00001  -0.00207  -0.00066  -0.00274  -2.40925
   D148       3.01122   0.00001   0.00042   0.00010   0.00051   3.01173
   D149       2.63624   0.00001   0.00039  -0.00008   0.00031   2.63655
   D150       1.51685   0.00000   0.00016   0.00048   0.00064   1.51750
   D151       2.61715   0.00000   0.00038   0.00051   0.00090   2.61805
   D152       2.98730   0.00001   0.00124   0.00078   0.00202   2.98933
   D153       1.23647  -0.00001  -0.00289  -0.00139  -0.00428   1.23219
   D154       1.27846   0.00000  -0.00196  -0.00081  -0.00277   1.27568
   D155       1.66148  -0.00001  -0.00151  -0.00053  -0.00204   1.65943
   D156       1.73057   0.00000  -0.00120  -0.00021  -0.00141   1.72916
   D157       0.92021  -0.00001  -0.00154  -0.00066  -0.00220   0.91802
   D158      -0.98630   0.00000  -0.00202   0.00026  -0.00177  -0.98807
   D159      -0.65501   0.00000  -0.00166  -0.00015  -0.00182  -0.65683
   D160      -0.66614  -0.00002  -0.00273  -0.00133  -0.00406  -0.67019
   D161      -0.35215  -0.00003  -0.00417  -0.00131  -0.00546  -0.35761
   D162      -0.28202   0.00000  -0.00108   0.00012  -0.00097  -0.28298
   D163       0.00201   0.00000  -0.00111  -0.00012  -0.00124   0.00078
   D164      -1.27200   0.00002   0.00016  -0.00093  -0.00078  -1.27279
   D165       1.67994   0.00002  -0.00080  -0.00045  -0.00126   1.67868
   D166      -1.64072   0.00002  -0.00058  -0.00126  -0.00185  -1.64257
   D167       1.31123   0.00002  -0.00154  -0.00078  -0.00233   1.30890
   D168      -1.71541   0.00000  -0.00191  -0.00177  -0.00367  -1.71908
   D169       1.23654   0.00000  -0.00287  -0.00128  -0.00415   1.23239
   D170      -1.96467  -0.00002   0.00034  -0.00080  -0.00046  -1.96513
   D171       0.98727  -0.00002  -0.00062  -0.00031  -0.00093   0.98634
   D172      -1.99118   0.00001  -0.00034  -0.00120  -0.00155  -1.99273
   D173       0.96076   0.00001  -0.00130  -0.00072  -0.00202   0.95874
   D174      -2.29327   0.00001  -0.00038  -0.00128  -0.00167  -2.29494
   D175       0.65867   0.00001  -0.00134  -0.00080  -0.00214   0.65653
   D176       1.97992   0.00001  -0.00019  -0.00082  -0.00100   1.97892
   D177      -1.35132   0.00001  -0.00114  -0.00033  -0.00147  -1.35279
   D178       0.83469   0.00000  -0.00038  -0.00086  -0.00123   0.83346
   D179      -2.49655   0.00000  -0.00133  -0.00037  -0.00170  -2.49825
   D180       0.37016  -0.00001  -0.00042  -0.00101  -0.00143   0.36873
   D181      -2.96109  -0.00001  -0.00138  -0.00053  -0.00190  -2.96299
   D182      -3.08201  -0.00001  -0.00140  -0.00153  -0.00293  -3.08494
   D183      -0.13007  -0.00001  -0.00236  -0.00105  -0.00341  -0.13347
   D184       2.93331   0.00000  -0.00145  -0.00161  -0.00307   2.93024
   D185      -0.39793   0.00000  -0.00241  -0.00113  -0.00355  -0.40147
   D186       3.07970   0.00000  -0.00125  -0.00145  -0.00271   3.07699
   D187      -0.25154   0.00000  -0.00221  -0.00097  -0.00318  -0.25472
   D188       2.98068   0.00000  -0.00103  -0.00121  -0.00224   2.97845
   D189      -0.35056   0.00001  -0.00198  -0.00072  -0.00271  -0.35327
   D190       2.49054  -0.00001  -0.00162  -0.00179  -0.00341   2.48713
   D191      -0.84070  -0.00001  -0.00257  -0.00131  -0.00389  -0.84459
   D192       0.31294   0.00000  -0.00183  -0.00016  -0.00201   0.31093
   D193      -3.01830   0.00000  -0.00279   0.00032  -0.00249  -3.02079
   D194       0.65248   0.00000  -0.00293  -0.00146  -0.00439   0.64809
   D195      -2.67876   0.00000  -0.00389  -0.00098  -0.00487  -2.68363
   D196       0.49401  -0.00003  -0.00630  -0.00391  -0.01016   0.48385
   D197      -2.83723  -0.00003  -0.00726  -0.00343  -0.01063  -2.84786
   D198       1.12448  -0.00001  -0.00236  -0.00149  -0.00385   1.12063
   D199      -2.20677  -0.00001  -0.00332  -0.00101  -0.00432  -2.21109
   D200       1.46967  -0.00001  -0.00136  -0.00215  -0.00351   1.46616
   D201      -1.86157  -0.00001  -0.00232  -0.00167  -0.00398  -1.86556
   D202       1.62746  -0.00002  -0.00274  -0.00103  -0.00377   1.62369
   D203      -0.58692  -0.00002  -0.00267  -0.00114  -0.00381  -0.59074
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   D205      -0.52884  -0.00001  -0.00064  -0.00018  -0.00081  -0.52965
   D206       1.35154  -0.00001   0.00138   0.00079   0.00218   1.35372
   D207      -0.86284  -0.00001   0.00145   0.00068   0.00214  -0.86071
   D208       1.17344   0.00001   0.00078   0.00041   0.00117   1.17461
   D209      -1.04094   0.00001   0.00084   0.00030   0.00112  -1.03982
   D210       2.11129  -0.00001  -0.00008   0.00035   0.00028   2.11157
   D211      -0.10309  -0.00001  -0.00002   0.00024   0.00023  -0.10286
   D212       2.22665  -0.00002  -0.00087   0.00024  -0.00062   2.22603
   D213       0.01227  -0.00002  -0.00080   0.00013  -0.00067   0.01160
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   D216      -2.41698   0.00001   0.00052   0.00044   0.00096  -2.41601
   D217       1.65183   0.00001   0.00059   0.00033   0.00092   1.65274
   D218      -2.05091   0.00001   0.00196   0.00131   0.00327  -2.04765
   D219       2.01789   0.00001   0.00202   0.00120   0.00322   2.02111
   D220      -2.21236   0.00000   0.00434   0.00221   0.00655  -2.20580
   D221       1.85645   0.00000   0.00441   0.00210   0.00651   1.86295
   D222      -2.90308   0.00001  -0.00013   0.00017   0.00004  -2.90305
   D223       1.16572   0.00001  -0.00006   0.00005  -0.00001   1.16571
   D224       3.04823   0.00001  -0.00042   0.00000  -0.00041   3.04782
   D225       0.83385   0.00001  -0.00035  -0.00012  -0.00046   0.83339
   D226      -2.71305   0.00000  -0.00028   0.00005  -0.00023  -2.71328
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   D228      -2.65775   0.00000  -0.00030  -0.00013  -0.00043  -2.65818
   D229       1.41106   0.00000  -0.00023  -0.00024  -0.00048   1.41058
   D230      -1.56637   0.00001  -0.00018   0.00009  -0.00009  -1.56646
   D231       2.50243   0.00000  -0.00011  -0.00002  -0.00013   2.50230
   D232      -0.01641   0.00000  -0.00042  -0.00173  -0.00214  -0.01855
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   D236       0.07825   0.00001   0.00063   0.00020   0.00083   0.07908
   D237      -2.13614   0.00001   0.00070   0.00008   0.00079  -2.13535
   D238      -0.01852   0.00003   0.00199  -0.00019   0.00179  -0.01672
   D239      -2.23290   0.00003   0.00206  -0.00030   0.00175  -2.23115
   D240      -0.58276   0.00000  -0.00018  -0.00033  -0.00051  -0.58327
   D241      -2.79714   0.00000  -0.00011  -0.00045  -0.00056  -2.79770
   D242      -0.77360  -0.00001   0.00123  -0.00055   0.00068  -0.77292
   D243      -2.98798  -0.00001   0.00129  -0.00067   0.00063  -2.98735
   D244      -2.91574  -0.00001  -0.00096  -0.00105  -0.00201  -2.91776
   D245       0.00106  -0.00001  -0.00211  -0.00070  -0.00282  -0.00176
   D246      -3.11765   0.00000   0.00084  -0.00025   0.00059  -3.11706
   D247      -0.20084   0.00000  -0.00032   0.00010  -0.00021  -0.20106
   D248       2.77387  -0.00001   0.00187   0.00016   0.00204   2.77591
   D249      -0.59251  -0.00001   0.00071   0.00051   0.00123  -0.59128
   D250       2.53118   0.00000   0.00187   0.00008   0.00194   2.53312
   D251      -0.83520   0.00000   0.00072   0.00043   0.00113  -0.83407
   D252      -2.90123   0.00000   0.00233   0.00050   0.00283  -2.89840
   D253       0.01558   0.00000   0.00117   0.00085   0.00203   0.01760
   D254      -3.07562  -0.00001   0.00156   0.00024   0.00180  -3.07382
   D255      -0.15881   0.00000   0.00040   0.00059   0.00099  -0.15782
   D256      -0.65966   0.00000   0.00099  -0.00022   0.00077  -0.65890
   D257       2.25715   0.00000  -0.00017   0.00013  -0.00004   2.25711
   D258      -0.91559   0.00000   0.00153   0.00010   0.00163  -0.91396
   D259       2.00122   0.00000   0.00037   0.00045   0.00082   2.00204
   D260      -0.76170   0.00000   0.00217   0.00051   0.00267  -0.75902
   D261       2.15511   0.00001   0.00101   0.00085   0.00187   2.15698
   D262      -0.97123   0.00000   0.00245   0.00052   0.00297  -0.96826
   D263       1.94558   0.00000   0.00129   0.00087   0.00216   1.94774
   D264      -1.32377   0.00001   0.00145   0.00012   0.00157  -1.32220
   D265       1.59304   0.00001   0.00030   0.00047   0.00076   1.59380
   D266      -1.56669   0.00001   0.00193   0.00032   0.00226  -1.56443
   D267       1.35012   0.00001   0.00077   0.00067   0.00145   1.35157
   D268       1.97933   0.00000   0.00110  -0.00010   0.00099   1.98032
   D269      -1.38705   0.00000  -0.00006   0.00025   0.00019  -1.38686
   D270       0.85932   0.00000   0.00114  -0.00013   0.00101   0.86034
   D271      -2.50705   0.00000  -0.00002   0.00022   0.00021  -2.50685
   D272       1.09308   0.00000  -0.00086  -0.00423  -0.00511   1.08796
   D273      -2.27330   0.00000  -0.00202  -0.00388  -0.00592  -2.27922
   D274       1.17690   0.00000   0.00126  -0.00152  -0.00026   1.17664
   D275      -2.18948   0.00000   0.00010  -0.00117  -0.00107  -2.19055
   D276       1.60049   0.00001   0.00178  -0.00029   0.00150   1.60199
   D277      -1.76588   0.00001   0.00062   0.00006   0.00069  -1.76520
   D278       1.59011   0.00002   0.00276  -0.00060   0.00216   1.59227
   D279      -1.77627   0.00003   0.00161  -0.00025   0.00135  -1.77491
   D280       0.82777  -0.00001   0.00129  -0.00031   0.00098   0.82876
   D281      -2.53861  -0.00001   0.00014   0.00004   0.00018  -2.53843
   D282       0.80226  -0.00002   0.00353  -0.00085   0.00269   0.80495
   D283      -2.56412  -0.00002   0.00238  -0.00050   0.00188  -2.56224
   D284       1.59881  -0.00003  -0.00461  -0.00137  -0.00599   1.59282
   D285      -2.62083  -0.00003  -0.00479  -0.00110  -0.00590  -2.62673
   D286       1.63980  -0.00001  -0.00129   0.00017  -0.00112   1.63869
   D287      -2.57983  -0.00001  -0.00147   0.00043  -0.00103  -2.58086
   D288       1.31445  -0.00001   0.00085   0.00106   0.00192   1.31637
   D289      -2.90518   0.00000   0.00067   0.00133   0.00200  -2.90318
   D290       1.21483   0.00001  -0.00003   0.00062   0.00057   1.21540
   D291      -3.00480   0.00001  -0.00021   0.00088   0.00065  -3.00415
   D292       2.02820  -0.00001  -0.00016   0.00079   0.00063   2.02883
   D293      -2.19143   0.00000  -0.00034   0.00105   0.00072  -2.19072
   D294       2.00994  -0.00001  -0.00092   0.00056  -0.00037   2.00958
   D295      -2.20969  -0.00001  -0.00110   0.00083  -0.00028  -2.20997
   D296      -2.31605   0.00000  -0.00035   0.00048   0.00013  -2.31592
   D297      -0.25250   0.00000  -0.00053   0.00075   0.00022  -0.25228
   D298      -2.30175   0.00001   0.00036   0.00092   0.00128  -2.30048
   D299      -0.23820   0.00001   0.00018   0.00118   0.00136  -0.23684
   D300      -1.91786   0.00001   0.00071   0.00116   0.00187  -1.91599
   D301       0.14569   0.00001   0.00053   0.00142   0.00195   0.14765
   D302      -1.86464   0.00000   0.00131   0.00132   0.00263  -1.86201
   D303       0.19891   0.00000   0.00113   0.00158   0.00272   0.20163
   D304      -2.65241   0.00001   0.00052   0.00112   0.00165  -2.65077
   D305      -0.58886   0.00001   0.00035   0.00139   0.00173  -0.58713
   D306      -2.78809   0.00002   0.00164   0.00161   0.00326  -2.78483
   D307      -0.72454   0.00002   0.00146   0.00188   0.00335  -0.72119
   D308       1.51933   0.00000  -0.00072   0.00034  -0.00038   1.51895
   D309      -2.70030   0.00001  -0.00090   0.00061  -0.00030  -2.70060
   D310       2.61995   0.00000  -0.00087   0.00034  -0.00053   2.61943
   D311      -1.59968   0.00000  -0.00104   0.00061  -0.00044  -1.60012
   D312       3.00342  -0.00001  -0.00092   0.00023  -0.00070   3.00272
   D313      -1.21621   0.00000  -0.00110   0.00049  -0.00061  -1.21683
   D314      -0.40038   0.00000  -0.00212  -0.00181  -0.00393  -0.40431
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   D318       0.14253   0.00000  -0.00085  -0.00037  -0.00123   0.14130
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   D320       0.28075   0.00002   0.00001  -0.00060  -0.00060   0.28015
   D321       2.34430   0.00002  -0.00017  -0.00034  -0.00051   2.34379
   D322      -0.55248  -0.00001  -0.00072   0.00015  -0.00057  -0.55305
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   D324      -0.59108  -0.00002   0.00199  -0.00053   0.00146  -0.58962
   D325       1.47247  -0.00002   0.00181  -0.00027   0.00155   1.47402
   D326       0.00497   0.00000   0.00232   0.00319   0.00553   0.01050
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   D328       0.32836  -0.00001   0.00084   0.00246   0.00330   0.33165
   D329       2.51244   0.00000  -0.00169   0.00255   0.00085   2.51330
   D330       0.68688   0.00001   0.00119   0.00271   0.00388   0.69076
   D331       2.87097   0.00001  -0.00134   0.00279   0.00143   2.87240
   D332       0.96528   0.00001   0.00058   0.00251   0.00307   0.96835
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   D409       2.36125  -0.00002   0.00396   0.00098   0.00494   2.36620
   D410       2.58239   0.00000   0.00541   0.00146   0.00687   2.58926
   D411       2.80787   0.00002   0.00416   0.00084   0.00498   2.81285
   D412       2.79448  -0.00003   0.00210   0.00069   0.00277   2.79725
   D413      -3.00547  -0.00002   0.00294   0.00108   0.00400  -3.00147
   D414      -0.80298   0.00000   0.00481   0.00099   0.00580  -0.79719
   D415      -0.42518   0.00000   0.00522   0.00109   0.00630  -0.41888
   D416      -0.11000   0.00000   0.00478   0.00092   0.00571  -0.10430
   D417       0.19784   0.00000   0.00487   0.00093   0.00581   0.20365
   D418      -0.29722   0.00001   0.00601   0.00132   0.00733  -0.28990
   D419       0.01697   0.00001   0.00678   0.00143   0.00821   0.02518
   D420      -2.60510   0.00000   0.00415   0.00060   0.00475  -2.60035
   D421      -2.22354   0.00000   0.00405   0.00068   0.00473  -2.21881
   D422      -1.98316   0.00000   0.00393   0.00073   0.00467  -1.97849
   D423      -1.66875   0.00000   0.00384   0.00069   0.00454  -1.66420
   D424      -2.00483   0.00000   0.00404   0.00060   0.00464  -2.00019
   D425       1.35868   0.00001   0.00165  -0.00221  -0.00055   1.35813
   D426       2.50154  -0.00001   0.00205  -0.00174   0.00030   2.50184
   D427       2.95376  -0.00003   0.00137  -0.00082   0.00056   2.95432
   D428      -3.06071   0.00003   0.00457   0.00195   0.00652  -3.05420
   D429       0.02686   0.00001   0.00033   0.00014   0.00046   0.02732
   D430       0.05157   0.00002   0.00536   0.00191   0.00727   0.05884
   D431       3.13915   0.00000   0.00112   0.00011   0.00122   3.14037
   D432      -0.11096  -0.00001  -0.01049  -0.00414  -0.01462  -0.12558
   D433       1.98674   0.00001  -0.01001  -0.00396  -0.01394   1.97280
   D434      -2.20787  -0.00002  -0.01084  -0.00415  -0.01499  -2.22286
   D435       3.08196   0.00001  -0.00652  -0.00243  -0.00894   3.07303
   D436      -1.10353   0.00003  -0.00603  -0.00226  -0.00825  -1.11178
   D437       0.98505   0.00000  -0.00686  -0.00244  -0.00931   0.97575
   D438      -2.34915   0.00000  -0.00067   0.00000  -0.00064  -2.34980
   D439      -0.25837   0.00000  -0.00037   0.00008  -0.00028  -0.25865
   D440       1.84941   0.00000  -0.00039   0.00001  -0.00037   1.84903
   D441       0.74098  -0.00002  -0.00466  -0.00171  -0.00636   0.73462
   D442       2.83176  -0.00001  -0.00436  -0.00164  -0.00599   2.82577
   D443      -1.34364  -0.00001  -0.00439  -0.00171  -0.00609  -1.34973
   D444      -0.00725   0.00001   0.00127   0.00012   0.00139  -0.00586
   D445       3.11674   0.00000  -0.00106  -0.00009  -0.00115   3.11559
   D446      -3.12782   0.00001   0.00129   0.00028   0.00158  -3.12624
   D447      -0.00384   0.00001  -0.00103   0.00007  -0.00096  -0.00480
   D448       2.43177   0.00000  -0.00144   0.00077  -0.00067   2.43110
   D449      -1.76619   0.00000  -0.00156   0.00080  -0.00077  -1.76696
   D450       0.34123   0.00002  -0.00142   0.00088  -0.00054   0.34069
   D451      -0.69306   0.00001   0.00077   0.00097   0.00174  -0.69132
   D452       1.39216   0.00001   0.00065   0.00100   0.00165   1.39380
   D453      -2.78360   0.00003   0.00079   0.00108   0.00187  -2.78173
   D454       2.06503  -0.00001  -0.00054  -0.00080  -0.00133   2.06370
   D455      -2.13344   0.00000  -0.00087  -0.00075  -0.00162  -2.13506
   D456      -0.03992   0.00000  -0.00084  -0.00075  -0.00159  -0.04151
   D457      -1.09332  -0.00001  -0.00275  -0.00100  -0.00375  -1.09707
   D458       0.99138  -0.00001  -0.00309  -0.00095  -0.00403   0.98735
   D459       3.08490  -0.00001  -0.00305  -0.00095  -0.00401   3.08090
   D460      -3.07909  -0.00001  -0.00014  -0.00021  -0.00034  -3.07944
   D461      -0.02977  -0.00001  -0.00086   0.00034  -0.00053  -0.03030
   D462       0.07633  -0.00002  -0.00008  -0.00054  -0.00062   0.07572
   D463       3.12566  -0.00002  -0.00080   0.00000  -0.00080   3.12485
   D464       1.93434   0.00000  -0.00002   0.00053   0.00052   1.93486
   D465      -2.26641   0.00000  -0.00035   0.00068   0.00033  -2.26608
   D466      -0.17266  -0.00001  -0.00058   0.00063   0.00005  -0.17261
   D467      -1.11885   0.00000   0.00068   0.00003   0.00071  -1.11814
   D468       0.96358   0.00001   0.00035   0.00018   0.00052   0.96411
   D469       3.05733  -0.00001   0.00012   0.00012   0.00024   3.05757
   D470      -1.65196   0.00002  -0.00085   0.00063  -0.00022  -1.65218
   D471       0.45274   0.00004  -0.00114   0.00064  -0.00051   0.45223
   D472       2.54549   0.00003  -0.00082   0.00055  -0.00028   2.54521
   D473       1.40153   0.00002  -0.00156   0.00114  -0.00042   1.40111
   D474      -2.77696   0.00004  -0.00185   0.00115  -0.00071  -2.77766
   D475      -0.68420   0.00003  -0.00153   0.00106  -0.00048  -0.68468
   D476       0.00939  -0.00004  -0.00854  -0.00015  -0.00866   0.00073
   D477      -3.09330  -0.00003  -0.00080   0.00090   0.00008  -3.09322
   D478       3.12708  -0.00006  -0.01125  -0.00011  -0.01134   3.11574
   D479       0.02439  -0.00005  -0.00351   0.00094  -0.00260   0.02179
   D480      -0.27053  -0.00002   0.00661  -0.00282   0.00378  -0.26674
   D481       1.83817  -0.00003   0.00747  -0.00339   0.00407   1.84224
   D482      -2.36454   0.00003   0.00837  -0.00290   0.00545  -2.35909
   D483       2.83402  -0.00003  -0.00075  -0.00383  -0.00459   2.82943
   D484      -1.34047  -0.00004   0.00010  -0.00439  -0.00430  -1.34477
   D485       0.74001   0.00002   0.00100  -0.00391  -0.00293   0.73709
   D486       0.02988   0.00001   0.00101  -0.00515  -0.00415   0.02573
   D487       2.12192  -0.00002  -0.00114  -0.00461  -0.00576   2.11616
   D488      -2.07682  -0.00001   0.00030  -0.00494  -0.00465  -2.08147
   D489      -3.07480   0.00002   0.00832  -0.00415   0.00418  -3.07062
   D490      -0.98276  -0.00001   0.00617  -0.00361   0.00257  -0.98019
   D491       1.10169   0.00000   0.00761  -0.00394   0.00368   1.10536
         Item               Value     Threshold  Converged?
 Maximum Force            0.000069     0.000450     YES
 RMS     Force            0.000014     0.000300     YES
 Maximum Displacement     0.047884     0.001800     NO 
 RMS     Displacement     0.004836     0.001200     NO 
 Predicted change in Energy=-7.259230D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:32:09 2016, MaxMem=  2952790016 cpu:         9.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.859415   -0.609808    1.688760
      2          6           0       -2.129254    1.049563   -1.373291
      3          8           0       -2.648926    0.053991   -1.906595
      4          7           0       -0.842498    1.132258   -0.937674
      5          1           0       -2.703265    1.977305   -1.176802
      6          6           0       -0.349373    2.310520   -0.223861
      7          1           0       -1.117348    3.096520   -0.234514
      8          1           0       -0.112276    2.045403    0.819235
      9          1           0        0.565001    2.686616   -0.710466
     10          6           0        0.098596    0.020566   -1.092260
     11          1           0        0.647132   -0.124196   -0.148527
     12          1           0       -0.455730   -0.894645   -1.337605
     13          1           0        0.824711    0.240276   -1.892224
     14          6           0       -1.980459   -4.035192    2.615192
     15          8           0       -2.130567   -3.890616    3.840514
     16          7           0       -2.906218   -3.733841    1.664400
     17          1           0       -1.035827   -4.416806    2.179663
     18          6           0       -4.222471   -3.195068    2.015890
     19          1           0       -4.488613   -2.405911    1.294901
     20          1           0       -4.990268   -3.985634    1.975360
     21          1           0       -4.185502   -2.771782    3.028153
     22          6           0       -2.628907   -3.907923    0.238314
     23          1           0       -3.325507   -4.641946   -0.199017
     24          1           0       -2.759284   -2.946299   -0.285536
     25          1           0       -1.595704   -4.256949    0.102542
     26          6           0        1.526510    0.376757    2.619738
     27          8           0        1.358798    1.393656    3.313829
     28          7           0        1.150706   -0.885356    2.963405
     29          1           0        2.002299    0.419023    1.620107
     30          6           0        1.459016   -2.035248    2.113116
     31          1           0        2.209474   -2.681280    2.599084
     32          1           0        0.546521   -2.629461    1.945726
     33          1           0        1.845441   -1.685348    1.146153
     34          6           0        0.520554   -1.166257    4.255675
     35          1           0        1.274254   -1.484825    4.996061
     36          1           0        0.014521   -0.261862    4.616312
     37          1           0       -0.212524   -1.976127    4.127736
     38          6           0       -4.561918    1.303072    2.891125
     39          8           0       -4.791810    1.967369    1.866447
     40          7           0       -3.471177    1.435083    3.695274
     41          1           0       -5.241910    0.497165    3.234249
     42          6           0       -2.419495    2.416228    3.417239
     43          1           0       -2.522086    2.776245    2.385717
     44          1           0       -2.489731    3.266201    4.116438
     45          1           0       -1.435888    1.937813    3.545470
     46          6           0       -3.262318    0.561236    4.850410
     47          1           0       -4.078125   -0.172746    4.910155
     48          1           0       -2.303162    0.027212    4.743340
     49          1           0       -3.231211    1.155179    5.778539
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.493205   0.000000
     3  O    3.740392   1.243236   0.000000
     4  N    3.311657   1.361007   2.316171   0.000000
     5  H    3.951795   1.108513   2.057836   2.057605   0.000000
     6  C    3.803507   2.465599   3.634758   1.463217   2.561237
     7  H    4.241051   2.551627   3.794545   2.104353   2.157702
     8  H    3.295256   3.141189   4.222613   2.110400   3.271394
     9  H    4.743468   3.221535   4.323282   2.109196   3.376707
    10  C    3.459082   2.470046   2.865856   1.464723   3.418537
    11  H    3.145508   3.253625   3.739860   2.102481   4.086418
    12  H    3.348185   2.565522   2.456373   2.101873   3.650393
    13  H    4.555285   3.106469   3.478658   2.118109   3.996963
    14  C    3.550518   6.464122   6.133092   6.373410   7.145054
    15  O    3.932845   7.182558   6.989841   7.051203   7.741702
    16  N    3.294840   5.719457   5.212089   5.891404   6.382070
    17  H    3.925877   6.610617   6.267984   6.367674   7.411536
    18  C    3.517757   5.821082   5.330883   6.234862   6.265358
    19  H    3.208395   4.962472   4.436795   5.549521   5.339417
    20  H    4.613088   6.689699   6.072070   7.202956   7.122019
    21  H    3.446562   6.180902   5.890484   6.491917   6.514024
    22  C    3.684220   5.236754   4.505308   5.475183   6.053429
    23  H    4.687351   5.933229   5.042361   6.328694   6.719951
    24  H    3.188542   4.188921   3.412001   4.553458   5.003936
    25  H    3.985883   5.533699   4.871356   5.540119   6.459825
    26  C    3.647536   5.455415   6.166533   4.340295   5.904783
    27  O    4.124514   5.852692   6.716352   4.794717   6.083319
    28  N    3.280469   5.771393   6.247918   4.823074   6.339498
    29  H    3.997004   5.140792   5.848484   3.891506   5.691509
    30  C    3.636473   5.877650   6.115405   4.963605   6.651971
    31  H    4.655700   6.965882   7.168466   6.030445   7.752079
    32  H    3.151754   5.631240   5.679100   4.939018   6.444656
    33  H    3.895788   5.442934   5.704726   4.416588   6.285051
    34  C    3.544424   6.604287   7.036206   5.840545   7.055977
    35  H    4.639372   7.653472   8.087395   6.821948   8.118574
    36  H    3.493317   6.495457   7.052803   5.790062   6.779411
    37  H    3.244639   6.564294   6.816934   5.976396   7.069055
    38  C    3.522544   4.916032   5.313932   5.340690   4.522966
    39  O    3.907987   4.292724   4.742238   4.915036   3.691001
    40  N    3.287165   5.257351   5.827903   5.335341   4.961937
    41  H    3.880103   5.587772   5.774795   6.096156   5.300275
    42  C    3.529621   4.990110   5.828895   4.806326   4.623678
    43  H    3.519977   4.155224   5.084359   4.070459   3.655499
    44  H    4.616748   5.931319   6.827925   5.728101   5.452086
    45  H    3.180742   5.046182   5.894511   4.593431   4.889546
    46  C    3.651782   6.344821   6.803725   6.299485   6.216517
    47  H    3.935872   6.691325   6.968652   6.809510   6.600304
    48  H    3.151692   6.203919   6.658972   5.968968   6.245881
    49  H    4.660827   7.236998   7.785433   7.128394   7.023631
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098952   0.000000
     8  H    1.102066   1.795940   0.000000
     9  H    1.101958   1.795787   1.791603   0.000000
    10  C    2.489715   3.416978   2.792534   2.733335   0.000000
    11  H    2.631832   3.673389   2.494077   2.867609   1.101127
    12  H    3.394823   4.193322   3.662486   3.776324   1.097763
    13  H    2.906514   3.831152   3.389460   2.729209   1.102479
    14  C    7.140639   7.728330   6.609781   7.919726   5.875103
    15  O    7.625345   8.151842   6.959738   8.440230   6.678231
    16  N    6.829150   7.311618   6.474571   7.675390   5.542892
    17  H    7.176703   7.892082   6.668122   7.834162   5.628736
    18  C    7.094284   7.368187   6.766699   8.058976   6.218723
    19  H    6.456367   6.631839   6.260414   7.449453   5.712164
    20  H    8.125026   8.368987   7.842502   9.088102   7.166343
    21  H    7.149915   7.382109   6.683993   8.144855   6.567229
    22  C    6.639196   7.181267   6.489453   7.388449   4.964144
    23  H    7.562723   8.047426   7.488813   8.312969   5.853322
    24  H    5.783219   6.262125   5.757105   6.554477   4.197686
    25  H    6.692648   7.376716   6.514127   7.317289   4.753455
    26  C    3.917197   4.746983   2.951578   4.165358   3.993086
    27  O    4.034072   4.649923   2.968474   4.300792   4.784047
    28  N    4.756314   5.588031   3.844729   5.157457   4.286729
    29  H    3.536713   4.510078   2.785307   3.555189   3.337632
    30  C    5.255229   6.203552   4.560132   5.573856   4.043705
    31  H    6.279712   7.244307   5.558770   6.517033   5.038035
    32  H    5.469291   6.348918   4.853591   5.942757   4.056185
    33  H    4.760368   5.792289   4.225877   4.919413   3.312416
    34  C    5.736811   6.404357   4.745984   6.285631   5.494271
    35  H    6.654952   7.353053   5.641884   7.104112   6.380911
    36  H    5.493346   6.007526   4.444924   6.113192   5.716173
    37  H    6.109866   6.751272   5.208544   6.764164   5.597494
    38  C    5.335132   4.985091   4.964182   6.416459   6.263591
    39  O    4.921625   4.380718   4.795913   5.987756   6.038217
    40  N    5.086420   4.872793   4.463889   6.104720   6.137150
    41  H    6.259689   5.983391   5.877285   7.353549   6.889618
    42  C    4.189772   3.936202   3.494338   5.100811   5.693466
    43  H    3.427460   2.990230   2.965667   4.373156   5.153452
    44  H    4.932814   4.565414   4.244312   5.741629   6.660639
    45  H    3.940467   3.966402   3.032471   4.762064   5.247763
    46  C    6.106838   6.073303   5.326903   7.077355   6.848605
    47  H    6.813834   6.776571   6.114227   7.831089   7.315146
    48  H    5.805503   5.967062   4.926629   6.711392   6.310524
    49  H    6.757856   6.662885   5.925788   7.672269   7.718993
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795495   0.000000
    13  H    1.790210   1.798660   0.000000
    14  C    5.462442   5.273749   6.816554   0.000000
    15  O    6.149308   6.212394   7.659127   1.242920   0.000000
    16  N    5.379827   4.803952   6.508687   1.360825   2.315531
    17  H    5.165203   5.011317   6.459898   1.107991   2.057610
    18  C    6.150446   5.543122   7.249068   2.468114   2.861660
    19  H    5.802205   5.047589   6.737321   3.269336   3.774238
    20  H    7.155549   6.410303   8.162751   3.077465   3.415511
    21  H    6.360453   6.041083   7.640997   2.574675   2.476787
    22  C    5.019828   4.035599   5.802950   2.467029   3.636549
    23  H    6.016185   4.855333   6.627771   3.177590   4.279041
    24  H    4.425687   3.259216   5.057739   3.194758   4.279171
    25  H    4.708821   3.831273   5.482931   2.551592   3.793773
    26  C    2.947465   4.605030   4.568254   5.635969   5.751085
    27  O    3.846850   5.492238   5.358967   6.411796   6.354258
    28  N    3.243003   4.591231   4.995043   4.454988   4.535159
    29  H    2.293388   4.063950   3.708791   6.057441   6.370540
    30  C    3.070229   4.107882   4.650064   4.010218   4.394474
    31  H    4.065582   5.078670   5.533977   4.403280   4.673286
    32  H    3.266860   3.846343   4.800275   2.968147   3.513906
    33  H    2.355703   3.477017   3.739204   4.724125   5.285020
    34  C    4.527572   5.684337   6.314073   4.144520   3.823995
    35  H    5.358300   6.592152   7.115232   4.771380   4.326191
    36  H    4.808622   6.005887   6.577963   4.714069   4.286155
    37  H    4.738680   5.576621   6.498324   3.106950   2.725189
    38  C    6.197643   6.290700   7.281878   5.936087   5.812676
    39  O    6.165781   6.103988   6.975369   6.670461   6.730167
    40  N    5.845222   6.312719   7.148591   5.771717   5.493760
    41  H    6.819830   6.763616   7.946736   5.618056   5.413006
    42  C    5.345338   6.117745   6.591665   6.515892   6.327632
    43  H    4.987874   5.622134   5.994412   6.836789   6.834966
    44  H    6.286861   7.155165   7.499718   7.471508   7.171134
    45  H    4.715555   5.729568   6.128659   6.069494   5.877092
    46  C    6.383023   6.948961   7.891130   5.269394   4.703162
    47  H    6.922476   7.257919   8.395282   4.958381   4.331244
    48  H    5.714676   6.421893   7.338916   4.597421   4.024209
    49  H    7.197810   7.908514   8.725146   6.205731   5.516105
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056769   0.000000
    18  C    1.465040   3.416747   0.000000
    19  H    2.098547   4.092460   1.101556   0.000000
    20  H    2.122113   3.983121   1.102792   1.791705   0.000000
    21  H    2.102843   3.653285   1.097822   1.797192   1.797069
    22  C    1.463191   2.562363   2.491463   2.613603   2.932472
    23  H    2.114895   3.309297   2.793531   2.929924   2.816042
    24  H    2.108095   3.348119   2.738497   2.404242   3.342029
    25  H    2.104873   2.157185   3.418829   3.635517   3.886402
    26  C    6.120356   5.453208   6.795097   6.758708   7.868549
    27  O    6.870386   6.386081   7.341089   7.259821   8.428458
    28  N    5.124442   4.226856   5.924828   6.074366   6.949786
    29  H    6.429757   5.738341   7.208749   7.086463   8.271832
    30  C    4.705510   3.449708   5.799476   6.015077   6.739157
    31  H    5.305829   3.704044   6.478735   6.829428   7.343477
    32  H    3.635960   2.398573   4.802928   5.081941   5.700537
    33  H    5.200304   4.102525   6.313101   6.376643   7.259877
    34  C    5.004994   4.159112   5.623966   5.949343   6.596809
    35  H    5.799515   4.676011   6.482309   6.910689   7.390732
    36  H    5.412868   4.929913   5.772174   5.992240   6.774143
    37  H    4.051366   3.229509   4.693121   5.147292   5.612280
    38  C    5.442122   6.756959   4.595054   4.038547   5.384470
    39  O    6.008334   7.413717   5.195886   4.420880   5.957306
    40  N    5.582240   6.517101   4.982275   4.642220   5.886418
    41  H    5.081466   6.553655   4.019482   3.571608   4.663005
    42  C    6.413477   7.080712   6.058147   5.660265   7.047817
    43  H    6.561179   7.347884   6.219699   5.649058   7.209946
    44  H    7.428764   8.055651   7.011610   6.643000   7.964045
    45  H    6.153694   6.512039   6.037476   5.766466   7.084214
    46  C    5.359585   6.072154   4.802730   4.790554   5.650288
    47  H    4.958799   5.892640   4.187127   4.269144   4.897259
    48  H    4.897863   5.284683   4.637436   4.752685   5.566434
    49  H    6.397990   6.987034   5.836504   5.862205   6.632226
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390724   0.000000
    23  H    3.827758   1.102406   0.000000
    24  H    3.611799   1.102786   1.789780   0.000000
    25  H    4.179949   1.098982   1.797604   1.795084   0.000000
    26  C    6.535073   6.426286   7.528268   6.152345   6.128272
    27  O    6.940587   7.312136   8.409001   6.982066   7.139383
    28  N    5.660204   5.554054   6.644499   5.485538   5.205280
    29  H    7.103008   6.486902   7.570214   6.134292   6.092072
    30  C    5.765445   4.871643   5.918825   4.937367   4.278980
    31  H    6.409993   5.521578   6.504583   5.751506   4.816101
    32  H    4.856330   3.825320   4.862368   4.000908   3.261161
    33  H    6.410502   5.077776   6.106526   4.984297   4.420829
    34  C    5.121668   5.794397   6.834975   5.877796   5.592802
    35  H    5.944565   6.613791   7.623257   6.804454   6.314099
    36  H    5.144137   6.280792   7.316305   6.239256   6.239203
    37  H    4.198417   4.969744   5.959702   5.186925   4.828822
    38  C    4.094496   6.158605   6.813291   5.603376   6.891187
    39  O    4.916983   6.469005   7.078081   5.736404   7.215857
    40  N    4.318915   6.419323   7.219211   5.962395   6.987442
    41  H    3.441583   5.933651   6.470733   5.514505   6.760474
    42  C    5.494144   7.081265   7.982229   6.525542   7.496475
    43  H    5.827545   7.021457   7.896574   6.319760   7.452308
    44  H    6.365315   8.156425   9.047677   7.618739   8.573705
    45  H    5.477981   6.821526   7.802889   6.346852   7.089031
    46  C    3.909207   6.453373   7.250780   6.239695   6.966689
    47  H    3.210678   6.154501   6.829628   6.035491   6.779106
    48  H    3.784103   5.990548   6.875545   5.859984   6.355434
    49  H    4.888387   7.529401   8.327469   7.336065   8.011427
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242568   0.000000
    28  N    1.360979   2.315167   0.000000
    29  H    1.107892   2.057353   2.056955   0.000000
    30  C    2.465560   3.634438   1.462975   2.561574   0.000000
    31  H    3.133441   4.223697   2.116379   3.257790   1.103046
    32  H    3.232957   4.326311   2.107750   3.393902   1.101705
    33  H    2.554495   3.796829   2.103580   2.162779   1.098532
    34  C    2.463560   2.853574   1.464910   3.413928   2.495279
    35  H    3.029196   3.335072   2.122809   3.943571   2.940829
    36  H    2.584618   2.498856   2.100420   3.659524   3.390790
    37  H    3.291558   3.806170   2.098534   4.114656   2.618442
    38  C    6.164468   5.936477   6.117885   6.744329   6.928299
    39  O    6.558862   6.344607   6.682429   6.972660   7.426615
    40  N    5.220508   4.845191   5.223206   5.941182   6.233235
    41  H    6.797325   6.661785   6.546012   7.422273   7.250687
    42  C    4.512916   3.915590   4.883929   5.174049   6.046423
    43  H    4.712052   4.223056   5.218280   5.158751   6.250916
    44  H    5.169061   4.354513   5.640718   5.875068   6.907334
    45  H    3.474144   2.856577   3.872926   4.223136   5.120285
    46  C    5.286096   4.940518   5.012804   6.178291   6.043633
    47  H    6.079466   5.878946   5.624796   6.938744   6.477058
    48  H    4.392978   4.161805   3.991260   5.333395   5.032475
    49  H    5.763669   5.215348   5.593744   6.724888   6.753695
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787449   0.000000
    33  H    1.798725   1.793839   0.000000
    34  C    2.809277   2.734502   3.419636   0.000000
    35  H    2.837540   3.338312   3.897211   1.103503   0.000000
    36  H    3.839350   3.608403   4.173797   1.097296   1.796322
    37  H    2.949592   2.400867   3.634503   1.099846   1.790495
    38  C    7.862067   6.515730   7.282158   5.813012   6.801767
    39  O    8.435916   7.045205   7.610143   6.614321   7.649135
    40  N    7.100413   5.976900   6.670947   4.797389   5.721628
    41  H    8.125827   6.703881   7.704158   6.084101   7.035102
    42  C    6.934070   6.035029   6.338015   4.709678   5.599525
    43  H    7.226186   6.231500   6.365345   5.319561   6.275573
    44  H    7.730292   6.977796   7.220398   5.359840   6.124832
    45  H    5.959893   5.229638   5.445286   3.737286   4.600384
    46  C    6.747065   5.755431   6.697602   4.200960   4.978762
    47  H    7.153160   6.017528   7.179437   4.750080   5.511524
    48  H    5.683102   4.796378   5.751828   3.104120   3.892048
    49  H    7.377561   6.579150   7.436397   4.667326   5.280257
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796930   0.000000
    38  C    5.135084   5.585658   0.000000
    39  O    5.969259   6.452476   1.242621   0.000000
    40  N    3.984724   4.737319   1.361543   2.317759   0.000000
    41  H    5.487831   5.675405   1.108877   2.057905   2.056144
    42  C    3.812398   4.966720   2.471010   2.869549   1.464918
    43  H    4.543130   5.563609   2.566435   2.464867   2.101054
    44  H    4.355271   5.715575   3.106320   3.471165   2.119813
    45  H    2.844110   4.141808   3.256244   3.752627   2.101804
    46  C    3.386735   4.032582   2.465375   3.636013   1.463410
    47  H    4.104149   4.336731   2.547268   3.788614   2.104623
    48  H    2.339093   2.960254   3.187553   4.270139   2.108269
    49  H    3.727407   4.652172   3.182737   4.289474   2.115638
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417940   0.000000
    43  H    3.648514   1.097349   0.000000
    44  H    4.002537   1.102844   1.799027   0.000000
    45  H    4.081437   1.101275   1.796614   1.789191   0.000000
    46  C    2.556338   2.491049   3.395426   2.907308   2.633188
    47  H    2.147519   3.417988   4.182176   3.870315   3.646676
    48  H    3.336832   2.734862   3.628153   3.304370   2.416082
    49  H    3.308973   2.797296   3.826481   2.787254   2.970236
                   46         47         48         49
    46  C    0.000000
    47  H    1.099018   0.000000
    48  H    1.103008   1.793963   0.000000
    49  H    1.102343   1.798538   1.790314   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2140569      0.1922092      0.1853998
 Leave Link  202 at Mon Nov 14 01:32:09 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.2201157996 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842409210 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.0358748786 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4032
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.13D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.18%
 GePol: Cavity surface area                          =    465.754 Ang**2
 GePol: Cavity volume                                =    457.836 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039780560 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.0318968226 Hartrees.
 Leave Link  301 at Mon Nov 14 01:32:10 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37515.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.48D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:32:11 2016, MaxMem=  2952790016 cpu:        14.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:32:11 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000726    0.002005    0.001216
         Rot=    1.000000   -0.000166   -0.000044   -0.000226 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50898218077    
 Leave Link  401 at Mon Nov 14 01:32:18 2016, MaxMem=  2952790016 cpu:        79.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48771072.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   3402.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.71D-15 for   1931    305.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.07D-14 for   1968.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.38D-10 for   1446   1415.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.33D-15 for    231.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.55D-14 for   2293    111.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.33D-15 for   1906.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.19D-15 for   1955    648.
 E= -1013.45089992544    
 DIIS: error= 3.57D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45089992544     IErMin= 1 ErrMin= 3.57D-04
 ErrMax= 3.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-04 BMatP= 1.94D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.57D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=7.58D-05 MaxDP=2.60D-03              OVMax= 4.67D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.58D-05    CP:  1.00D+00
 E= -1013.45122714898     Delta-E=       -0.000327223535 Rises=F Damp=F
 DIIS: error= 5.91D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45122714898     IErMin= 2 ErrMin= 5.91D-05
 ErrMax= 5.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-06 BMatP= 1.94D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-01 0.980D+00
 Coeff:      0.201D-01 0.980D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.21D-05 MaxDP=4.95D-04 DE=-3.27D-04 OVMax= 7.74D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.16D-05    CP:  1.00D+00  9.57D-01
 E= -1013.45122464508     Delta-E=        0.000002503900 Rises=F Damp=F
 DIIS: error= 1.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45122714898     IErMin= 2 ErrMin= 5.91D-05
 ErrMax= 1.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-06 BMatP= 3.23D-06
 IDIUse=3 WtCom= 4.69D-01 WtEn= 5.31D-01
 Coeff-Com:  0.138D-02 0.594D+00 0.404D+00
 Coeff-En:   0.000D+00 0.642D+00 0.358D+00
 Coeff:      0.648D-03 0.619D+00 0.380D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.04D-06 MaxDP=3.75D-04 DE= 2.50D-06 OVMax= 6.25D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.21D-06    CP:  1.00D+00  9.67D-01  5.19D-01
 E= -1013.45122968428     Delta-E=       -0.000005039200 Rises=F Damp=F
 DIIS: error= 3.24D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45122968428     IErMin= 4 ErrMin= 3.24D-05
 ErrMax= 3.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.26D-07 BMatP= 3.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.147D-04 0.263D+00 0.242D+00 0.495D+00
 Coeff:     -0.147D-04 0.263D+00 0.242D+00 0.495D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.67D-06 MaxDP=1.21D-04 DE=-5.04D-06 OVMax= 2.30D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.59D-06    CP:  1.00D+00  9.72D-01  5.24D-01  4.99D-01
 E= -1013.45122998366     Delta-E=       -0.000000299382 Rises=F Damp=F
 DIIS: error= 1.67D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45122998366     IErMin= 5 ErrMin= 1.67D-05
 ErrMax= 1.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-07 BMatP= 5.26D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.978D-06 0.151D+00 0.152D+00 0.382D+00 0.315D+00
 Coeff:     -0.978D-06 0.151D+00 0.152D+00 0.382D+00 0.315D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=6.05D-05 DE=-2.99D-07 OVMax= 9.94D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.00D-07    CP:  1.00D+00  9.72D-01  5.13D-01  5.68D-01  4.46D-01
 E= -1013.45123014142     Delta-E=       -0.000000157759 Rises=F Damp=F
 DIIS: error= 8.58D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45123014142     IErMin= 6 ErrMin= 8.58D-07
 ErrMax= 8.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-10 BMatP= 1.88D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.219D-04 0.428D-01 0.447D-01 0.118D+00 0.123D+00 0.672D+00
 Coeff:     -0.219D-04 0.428D-01 0.447D-01 0.118D+00 0.123D+00 0.672D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.30D-07 MaxDP=5.09D-06 DE=-1.58D-07 OVMax= 7.75D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.06D-07    CP:  1.00D+00  9.72D-01  5.16D-01  5.67D-01  4.67D-01
                    CP:  8.90D-01
 E= -1013.45123014215     Delta-E=       -0.000000000733 Rises=F Damp=F
 DIIS: error= 4.65D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45123014215     IErMin= 7 ErrMin= 4.65D-07
 ErrMax= 4.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-10 BMatP= 9.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-04 0.112D-01 0.123D-01 0.333D-01 0.414D-01 0.366D+00
 Coeff-Com:  0.535D+00
 Coeff:     -0.174D-04 0.112D-01 0.123D-01 0.333D-01 0.414D-01 0.366D+00
 Coeff:      0.535D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.22D-08 MaxDP=2.30D-06 DE=-7.33D-10 OVMax= 2.52D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.70D-08    CP:  1.00D+00  9.72D-01  5.16D-01  5.68D-01  4.65D-01
                    CP:  9.00D-01  7.04D-01
 E= -1013.45123014234     Delta-E=       -0.000000000188 Rises=F Damp=F
 DIIS: error= 8.05D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45123014234     IErMin= 8 ErrMin= 8.05D-08
 ErrMax= 8.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-12 BMatP= 1.77D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.512D-05 0.137D-02 0.165D-02 0.462D-02 0.729D-02 0.919D-01
 Coeff-Com:  0.205D+00 0.688D+00
 Coeff:     -0.512D-05 0.137D-02 0.165D-02 0.462D-02 0.729D-02 0.919D-01
 Coeff:      0.205D+00 0.688D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.99D-09 MaxDP=3.57D-07 DE=-1.88D-10 OVMax= 4.51D-07

 Error on total polarization charges =  0.04289
 SCF Done:  E(RB97D) =  -1013.45123014     A.U. after    8 cycles
            NFock=  8  Conv=0.90D-08     -V/T= 2.0213
 KE= 9.923511694842D+02 PE=-6.027530623245D+03 EE= 2.173696326796D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:34:01 2016, MaxMem=  2952790016 cpu:      1171.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37515.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     358
 Leave Link  701 at Mon Nov 14 01:34:09 2016, MaxMem=  2952790016 cpu:        96.2
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:34:09 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:34:46 2016, MaxMem=  2952790016 cpu:       440.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.31721137D+00-2.71317916D+00 3.30917516D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000549947   -0.000244221    0.000043145
      2        6          -0.000046599    0.000091626    0.000042069
      3        8           0.000030268    0.000042629   -0.000028789
      4        7          -0.000018271    0.000038444   -0.000021766
      5        1           0.000026756    0.000019548    0.000032551
      6        6           0.000063635    0.000105024    0.000101017
      7        1           0.000006547   -0.000000752    0.000083293
      8        1           0.000082180   -0.000010524    0.000064128
      9        1          -0.000008969    0.000029043   -0.000015734
     10        6           0.000011660   -0.000013776   -0.000031037
     11        1          -0.000013568    0.000019960   -0.000011026
     12        1          -0.000007229    0.000024613    0.000027157
     13        1           0.000016916    0.000017703    0.000011568
     14        6          -0.000056337   -0.000006375   -0.000035091
     15        8          -0.000014027   -0.000018667   -0.000029669
     16        7          -0.000017989    0.000031503   -0.000007642
     17        1          -0.000007752   -0.000001164   -0.000033015
     18        6          -0.000063718   -0.000010410   -0.000012982
     19        1          -0.000006817    0.000009488   -0.000033187
     20        1          -0.000007061    0.000005890   -0.000040336
     21        1           0.000023594    0.000019919   -0.000049775
     22        6          -0.000067390    0.000028305   -0.000060633
     23        1           0.000012049   -0.000005069   -0.000017279
     24        1          -0.000045662    0.000020058   -0.000004252
     25        1           0.000003552    0.000021920   -0.000028977
     26        6           0.000024083    0.000024556    0.000007460
     27        8          -0.000037621   -0.000007169    0.000042148
     28        7          -0.000010297   -0.000012553    0.000025074
     29        1           0.000011849    0.000003438    0.000032003
     30        6          -0.000039806   -0.000071797   -0.000002307
     31        1           0.000014259    0.000021222    0.000003680
     32        1          -0.000014317   -0.000012912   -0.000020604
     33        1          -0.000004625    0.000004875    0.000005845
     34        6          -0.000013150   -0.000006264    0.000042767
     35        1          -0.000015102   -0.000025774    0.000005303
     36        1          -0.000069295   -0.000030271   -0.000051017
     37        1           0.000013035   -0.000053612    0.000011245
     38        6           0.000113388    0.000062185   -0.000080331
     39        8          -0.000022776    0.000003033    0.000075171
     40        7          -0.000000331   -0.000062759   -0.000004544
     41        1          -0.000066747    0.000047431    0.000041605
     42        6           0.000016622   -0.000090991    0.000010682
     43        1          -0.000024045    0.000065478    0.000015338
     44        1          -0.000097550    0.000009101    0.000002107
     45        1          -0.000066579    0.000044586   -0.000016010
     46        6           0.000016002   -0.000114397   -0.000204826
     47        1          -0.000012896    0.000011780    0.000062141
     48        1          -0.000137902    0.000002132    0.000032734
     49        1          -0.000021915   -0.000026033    0.000020599
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000549947 RMS     0.000066368
 Leave Link  716 at Mon Nov 14 01:34:46 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000076457 RMS     0.000013408
 Search for a local minimum.
 Step number  29 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .13408D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   21   22   23   24   25
                                                     26   27   28   29
 DE= -8.53D-06 DEPred=-7.26D-06 R= 1.17D+00
 TightC=F SS=  1.41D+00  RLast= 1.09D-01 DXNew= 2.2445D+00 3.2651D-01
 Trust test= 1.17D+00 RLast= 1.09D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00032   0.00076   0.00129   0.00199   0.00338
     Eigenvalues ---    0.00352   0.00390   0.00464   0.00485   0.00629
     Eigenvalues ---    0.00709   0.00752   0.00785   0.00850   0.00884
     Eigenvalues ---    0.00917   0.01022   0.01035   0.01155   0.01189
     Eigenvalues ---    0.01237   0.01309   0.01335   0.01430   0.01530
     Eigenvalues ---    0.01555   0.01627   0.01697   0.01755   0.01794
     Eigenvalues ---    0.01827   0.01865   0.01891   0.01948   0.02022
     Eigenvalues ---    0.02110   0.02192   0.02252   0.02381   0.02455
     Eigenvalues ---    0.02680   0.02759   0.03072   0.03225   0.03658
     Eigenvalues ---    0.04154   0.04394   0.04722   0.04848   0.05113
     Eigenvalues ---    0.05470   0.05849   0.05962   0.06175   0.06351
     Eigenvalues ---    0.06605   0.06793   0.07243   0.07323   0.07513
     Eigenvalues ---    0.07676   0.07921   0.08018   0.08210   0.08255
     Eigenvalues ---    0.08414   0.08530   0.08583   0.08807   0.08811
     Eigenvalues ---    0.09044   0.09090   0.09418   0.09827   0.09836
     Eigenvalues ---    0.09996   0.10080   0.10208   0.10241   0.10359
     Eigenvalues ---    0.10532   0.10597   0.10624   0.10873   0.11256
     Eigenvalues ---    0.11315   0.11441   0.11730   0.12162   0.13225
     Eigenvalues ---    0.13489   0.14116   0.14663   0.15219   0.15315
     Eigenvalues ---    0.15617   0.16404   0.22066   0.23166   0.23684
     Eigenvalues ---    0.24038   0.24468   0.25064   0.25848   0.26577
     Eigenvalues ---    0.27021   0.27813   0.28590   0.29295   0.29715
     Eigenvalues ---    0.29877   0.29974   0.32719   0.32735   0.32821
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33427   0.33452   0.33499   0.33688
     Eigenvalues ---    0.33792   0.33830   0.33832   0.33915   0.33939
     Eigenvalues ---    0.33991   0.34005   0.34157   0.37285   0.39327
     Eigenvalues ---    0.40607   0.41418   0.85935   0.85997   0.86079
     Eigenvalues ---    0.87356
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    29   28   27   26   25
 RFO step:  Lambda=-5.71964549D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.18D-05 SmlDif=  1.00D-05
 RMS Error=  0.6083548361D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.78584   -1.15184   -0.52809    2.06858   -1.17449
 Iteration  1 RMS(Cart)=  0.00255545 RMS(Int)=  0.00002694
 Iteration  2 RMS(Cart)=  0.00001152 RMS(Int)=  0.00001481
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001481
 ITry= 1 IFail=0 DXMaxC= 2.22D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.60120  -0.00001  -0.00277  -0.00054  -0.00329   6.59791
    R2        6.25812   0.00000   0.00133   0.00078   0.00208   6.26021
    R3        7.18759   0.00001   0.00575   0.00224   0.00787   7.19545
    R4        6.22713   0.00001   0.00490   0.00269   0.00771   6.23484
    R5        6.53672   0.00002  -0.00350  -0.00118  -0.00472   6.53200
    R6        5.94415   0.00001  -0.00030   0.00039   0.00011   5.94425
    R7        6.70951  -0.00001  -0.00080  -0.00050  -0.00130   6.70821
    R8        6.22634   0.00001   0.00009  -0.00002   0.00007   6.22642
    R9        6.64760   0.00001   0.00012  -0.00012   0.00000   6.64759
   R10        6.06299   0.00001   0.00131   0.00152   0.00283   6.06581
   R11        6.96217   0.00001   0.00015   0.00045   0.00061   6.96277
   R12        6.02547   0.00001   0.00125   0.00100   0.00225   6.02772
   R13        6.89284  -0.00002  -0.00133   0.00051  -0.00083   6.89201
   R14        6.19919  -0.00002  -0.00055  -0.00035  -0.00091   6.19828
   R15        6.87194   0.00001  -0.00027  -0.00018  -0.00044   6.87150
   R16        5.95595   0.00001  -0.00020  -0.00013  -0.00033   5.95562
   R17        6.69799  -0.00002  -0.00071  -0.00169  -0.00241   6.69559
   R18        6.65664   0.00005  -0.00042  -0.00120  -0.00159   6.65505
   R19        6.21184   0.00001   0.00078   0.00001   0.00076   6.21261
   R20        6.67002   0.00000  -0.00225  -0.00108  -0.00334   6.66667
   R21        6.01073   0.00000   0.00280   0.00010   0.00290   6.01364
   R22        6.90087  -0.00004   0.00272   0.00138   0.00410   6.90497
   R23        5.95584   0.00001   0.00007   0.00055   0.00063   5.95646
   R24        2.34938   0.00000   0.00006   0.00002   0.00008   2.34946
   R25        2.57193   0.00000  -0.00001  -0.00004  -0.00006   2.57188
   R26        2.09479  -0.00001  -0.00003  -0.00003  -0.00006   2.09472
   R27        2.76508   0.00005   0.00018   0.00012   0.00034   2.76542
   R28        2.76792   0.00003   0.00012   0.00012   0.00027   2.76820
   R29        2.07672   0.00000   0.00000  -0.00002  -0.00003   2.07669
   R30        2.08260   0.00002  -0.00005   0.00014   0.00018   2.08278
   R31        2.08240   0.00000  -0.00007   0.00001  -0.00006   2.08234
   R32        2.08083   0.00000   0.00001   0.00004   0.00006   2.08089
   R33        2.07447   0.00001   0.00001   0.00001   0.00003   2.07450
   R34        2.08338   0.00000  -0.00002  -0.00001  -0.00002   2.08336
   R35        2.34878   0.00000   0.00001   0.00001   0.00003   2.34880
   R36        2.57159  -0.00002   0.00002  -0.00005  -0.00003   2.57156
   R37        2.09380   0.00000   0.00001   0.00001   0.00001   2.09381
   R38        2.76853  -0.00001   0.00006   0.00000   0.00005   2.76857
   R39        2.76503  -0.00001   0.00006  -0.00002   0.00005   2.76508
   R40        2.08164   0.00000  -0.00002   0.00000  -0.00001   2.08163
   R41        2.08398   0.00000  -0.00001   0.00000  -0.00001   2.08397
   R42        2.07458  -0.00001  -0.00001   0.00000  -0.00001   2.07457
   R43        2.08325   0.00000   0.00000   0.00001   0.00001   2.08325
   R44        2.08396   0.00001  -0.00001   0.00001  -0.00002   2.08395
   R45        2.07678   0.00000   0.00000   0.00000   0.00000   2.07678
   R46        2.34811   0.00002  -0.00001   0.00004   0.00004   2.34815
   R47        2.57188   0.00004  -0.00002   0.00007   0.00005   2.57193
   R48        2.09361   0.00000   0.00000   0.00000  -0.00001   2.09360
   R49        2.76462   0.00001   0.00002   0.00002   0.00005   2.76467
   R50        2.76828   0.00000   0.00000   0.00002   0.00002   2.76830
   R51        2.08445   0.00000   0.00000  -0.00001  -0.00002   2.08444
   R52        2.08192   0.00001   0.00004  -0.00001   0.00004   2.08196
   R53        2.07592   0.00000   0.00000   0.00001   0.00001   2.07594
   R54        2.08532   0.00000   0.00001  -0.00001   0.00000   2.08531
   R55        2.07359   0.00000   0.00001   0.00000   0.00001   2.07360
   R56        2.07841   0.00000  -0.00001   0.00000  -0.00001   2.07840
   R57        2.34821  -0.00006  -0.00003  -0.00001  -0.00004   2.34818
   R58        2.57294  -0.00005  -0.00004  -0.00004  -0.00008   2.57286
   R59        2.09547   0.00002  -0.00002   0.00005   0.00002   2.09550
   R60        2.76829  -0.00004   0.00002   0.00003   0.00004   2.76834
   R61        2.76544  -0.00003  -0.00009  -0.00002  -0.00009   2.76535
   R62        2.07369   0.00003   0.00010   0.00005   0.00015   2.07384
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   R64        2.08111  -0.00002  -0.00008   0.00001  -0.00005   2.08106
   R65        2.07684  -0.00002  -0.00003  -0.00005  -0.00008   2.07676
   R66        2.08438  -0.00006  -0.00003  -0.00011  -0.00013   2.08425
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    A8        1.66596   0.00000   0.00058   0.00011   0.00069   1.66665
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   A10        1.35260   0.00001   0.00093   0.00041   0.00135   1.35394
   A11        1.73854   0.00000  -0.00014   0.00004  -0.00011   1.73843
   A12        2.03911   0.00001   0.00022   0.00014   0.00035   2.03945
   A13        1.93798   0.00001   0.00065   0.00038   0.00103   1.93901
   A14        2.02065   0.00001   0.00079   0.00043   0.00122   2.02187
   A15        2.43607   0.00001   0.00000   0.00011   0.00011   2.43617
   A16        1.55278  -0.00001   0.00039  -0.00042  -0.00003   1.55275
   A17        1.77387  -0.00002  -0.00043  -0.00067  -0.00111   1.77277
   A18        1.58055  -0.00002  -0.00149  -0.00091  -0.00241   1.57814
   A19        1.71277  -0.00003  -0.00117  -0.00076  -0.00195   1.71082
   A20        2.18574  -0.00002  -0.00060  -0.00077  -0.00138   2.18437
   A21        2.40785  -0.00002  -0.00074  -0.00054  -0.00129   2.40656
   A22        0.65022   0.00001  -0.00030  -0.00012  -0.00042   0.64980
   A23        0.66138   0.00000  -0.00007  -0.00007  -0.00014   0.66124
   A24        2.38170   0.00001   0.00020   0.00016   0.00037   2.38207
   A25        2.20243   0.00001   0.00042   0.00020   0.00063   2.20306
   A26        2.30047   0.00000   0.00055   0.00021   0.00076   2.30123
   A27        2.03618   0.00000   0.00046   0.00003   0.00049   2.03667
   A28        1.79550   0.00001   0.00041   0.00024   0.00065   1.79615
   A29        1.55186   0.00001   0.00060   0.00031   0.00092   1.55278
   A30        1.34395   0.00000  -0.00011   0.00009  -0.00002   1.34393
   A31        1.64143   0.00001  -0.00001   0.00009   0.00007   1.64151
   A32        1.58933   0.00001   0.00001   0.00016   0.00018   1.58951
   A33        1.73893   0.00001  -0.00005   0.00013   0.00008   1.73901
   A34        2.03841   0.00001  -0.00001   0.00015   0.00014   2.03855
   A35        1.79326  -0.00001   0.00169   0.00002   0.00171   1.79497
   A36        1.88329  -0.00001   0.00092  -0.00021   0.00070   1.88399
   A37        1.55691  -0.00001   0.00011  -0.00040  -0.00030   1.55661
   A38        1.57153  -0.00002   0.00022  -0.00030  -0.00010   1.57143
   A39        2.26000  -0.00001   0.00032  -0.00040  -0.00008   2.25991
   A40        2.35401   0.00000   0.00033   0.00009   0.00041   2.35442
   A41        0.69362   0.00001  -0.00033  -0.00005  -0.00039   0.69323
   A42        0.75449   0.00000  -0.00088  -0.00028  -0.00116   0.75333
   A43        2.65833   0.00001  -0.00070  -0.00012  -0.00082   2.65751
   A44        2.58757   0.00002  -0.00011   0.00003  -0.00008   2.58748
   A45        2.64189   0.00001   0.00057   0.00016   0.00073   2.64262
   A46        2.33704   0.00000   0.00059   0.00008   0.00067   2.33772
   A47        2.18008   0.00002  -0.00010   0.00007  -0.00003   2.18006
   A48        1.94261   0.00002   0.00020   0.00017   0.00037   1.94299
   A49        1.10642  -0.00001  -0.00070  -0.00013  -0.00084   1.10559
   A50        1.46619   0.00000  -0.00072  -0.00019  -0.00091   1.46529
   A51        1.56815   0.00000  -0.00093  -0.00021  -0.00114   1.56701
   A52        1.80281   0.00001  -0.00104  -0.00025  -0.00128   1.80153
   A53        1.79070   0.00000  -0.00050  -0.00008  -0.00059   1.79011
   A54        1.63012  -0.00001   0.00298   0.00052   0.00351   1.63362
   A55        1.59478  -0.00001   0.00201   0.00020   0.00219   1.59697
   A56        1.21429  -0.00001   0.00121  -0.00002   0.00119   1.21548
   A57        1.18716  -0.00002   0.00088  -0.00007   0.00080   1.18796
   A58        1.91949  -0.00001   0.00104  -0.00008   0.00095   1.92044
   A59        1.96934   0.00000   0.00086   0.00032   0.00118   1.97052
   A60        0.85117   0.00001   0.00027   0.00008   0.00032   0.85149
   A61        0.79397   0.00000  -0.00017  -0.00015  -0.00034   0.79363
   A62        2.61455   0.00000   0.00006  -0.00002   0.00002   2.61457
   A63        2.76656   0.00001   0.00028   0.00007   0.00030   2.76685
   A64        2.59283   0.00001   0.00006   0.00002   0.00007   2.59290
   A65        2.38646   0.00001   0.00029   0.00012   0.00036   2.38682
   A66        2.18547   0.00001   0.00047   0.00022   0.00064   2.18612
   A67        0.87270  -0.00002  -0.00021  -0.00012  -0.00034   0.87236
   A68        1.24898  -0.00001  -0.00015  -0.00017  -0.00033   1.24865
   A69        1.43318  -0.00001  -0.00027  -0.00019  -0.00048   1.43269
   A70        1.70431  -0.00001  -0.00033  -0.00022  -0.00057   1.70374
   A71        1.53237  -0.00001  -0.00004  -0.00005  -0.00010   1.53227
   A72        1.63011   0.00000   0.00238   0.00058   0.00299   1.63309
   A73        1.49049   0.00000   0.00159   0.00027   0.00188   1.49237
   A74        1.07304   0.00001   0.00119   0.00013   0.00134   1.07438
   A75        0.97406  -0.00001   0.00096   0.00004   0.00101   0.97507
   A76        1.74543   0.00000   0.00062  -0.00004   0.00058   1.74602
   A77        1.73912   0.00000   0.00069   0.00039   0.00109   1.74021
   A78        1.98766   0.00000  -0.00018   0.00000  -0.00017   1.98749
   A79        1.92483   0.00000  -0.00004   0.00000  -0.00003   1.92480
   A80        2.20054   0.00000   0.00008   0.00001   0.00010   2.20064
   A81        2.05690  -0.00001   0.00003  -0.00023  -0.00019   2.05671
   A82        1.53564   0.00001   0.00000   0.00004   0.00005   1.53568
   A83        1.36482   0.00001   0.00033   0.00015   0.00049   1.36531
   A84        1.19228   0.00001   0.00061   0.00046   0.00106   1.19335
   A85        1.37790   0.00001   0.00051   0.00040   0.00091   1.37880
   A86        1.21185   0.00001   0.00026   0.00033   0.00059   1.21243
   A87        1.31835   0.00001  -0.00004   0.00017   0.00014   1.31849
   A88        1.80367   0.00001   0.00056   0.00051   0.00106   1.80473
   A89        2.22652  -0.00001   0.00179   0.00005   0.00183   2.22836
   A90        2.28489   0.00000   0.00152   0.00007   0.00157   2.28646
   A91        1.90424   0.00000   0.00110   0.00002   0.00110   1.90534
   A92        1.82138   0.00000   0.00136   0.00020   0.00155   1.82293
   A93        2.59652   0.00000   0.00088   0.00003   0.00089   2.59741
   A94        2.53583   0.00002   0.00103   0.00072   0.00173   2.53756
   A95        1.90553   0.00001   0.00016   0.00016   0.00032   1.90585
   A96        1.97712   0.00001   0.00044   0.00021   0.00065   1.97776
   A97        2.35050   0.00000   0.00056   0.00023   0.00079   2.35129
   A98        2.30196  -0.00001   0.00051  -0.00003   0.00047   2.30243
   A99        1.64555   0.00001   0.00056   0.00025   0.00081   1.64636
   A100       1.54715   0.00001   0.00095   0.00039   0.00133   1.54848
   A101       0.88617   0.00001   0.00030   0.00035   0.00065   0.88681
   A102       1.05725   0.00001   0.00027   0.00030   0.00057   1.05781
   A103       0.92917   0.00001   0.00012   0.00025   0.00036   0.92954
   A104       1.09083   0.00001  -0.00006   0.00013   0.00007   1.09090
   A105       1.48286   0.00001   0.00032   0.00041   0.00073   1.48359
   A106       2.38458  -0.00001   0.00209   0.00024   0.00233   2.38692
   A107       2.27999   0.00000   0.00146   0.00018   0.00164   2.28162
   A108       1.85472   0.00001   0.00124   0.00011   0.00134   1.85607
   A109       1.68223   0.00000   0.00129   0.00020   0.00149   1.68372
   A110       2.43770   0.00001   0.00038   0.00010   0.00048   2.43817
   A111       2.27456   0.00002   0.00057   0.00064   0.00120   2.27576
   A112       0.71334   0.00000   0.00005   0.00002   0.00007   0.71341
   A113       1.00512   0.00000   0.00001  -0.00003  -0.00001   1.00510
   A114       0.69501   0.00000   0.00004  -0.00001   0.00003   0.69504
   A115       0.98242   0.00000   0.00007  -0.00001   0.00005   0.98247
   A116       1.79876   0.00001   0.00044   0.00021   0.00066   1.79941
   A117       1.41908   0.00000   0.00036   0.00024   0.00060   1.41967
   A118       1.18369   0.00000   0.00036   0.00019   0.00055   1.18425
   A119       0.91035   0.00000   0.00038   0.00020   0.00058   0.91093
   A120       1.24767   0.00000   0.00034   0.00022   0.00055   1.24822
   A121       1.99180   0.00000  -0.00230  -0.00043  -0.00274   1.98906
   A122       2.00884   0.00000  -0.00125  -0.00002  -0.00126   2.00758
   A123       2.33772   0.00000  -0.00009   0.00032   0.00023   2.33795
   A124       2.24586   0.00002   0.00024   0.00039   0.00063   2.24650
   A125       1.64123   0.00000  -0.00052   0.00024  -0.00028   1.64095
   A126       1.50806   0.00000  -0.00043  -0.00007  -0.00050   1.50757
   A127       0.65663   0.00000  -0.00008  -0.00011  -0.00018   0.65644
   A128       0.66157   0.00000  -0.00008  -0.00008  -0.00016   0.66140
   A129       2.15707   0.00001   0.00069   0.00033   0.00102   2.15809
   A130       1.78724   0.00000   0.00056   0.00034   0.00090   1.78814
   A131       1.48983   0.00000   0.00067   0.00035   0.00101   1.49084
   A132       1.19775   0.00000   0.00067   0.00034   0.00101   1.19876
   A133       1.64069   0.00000   0.00037   0.00023   0.00060   1.64128
   A134       1.84800   0.00000  -0.00267  -0.00072  -0.00340   1.84460
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   A136       2.44353  -0.00001  -0.00142  -0.00019  -0.00161   2.44192
   A137       2.50824   0.00001  -0.00074   0.00006  -0.00068   2.50756
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   A200       1.61385   0.00000  -0.00033   0.00002  -0.00031   1.61354
   A201       1.33829   0.00001  -0.00001   0.00029   0.00028   1.33857
   A202       0.70934   0.00000   0.00010   0.00011   0.00020   0.70954
   A203       2.63239  -0.00001   0.00015   0.00019   0.00033   2.63272
   A204       2.23961   0.00000   0.00037   0.00019   0.00055   2.24016
   A205       2.00834   0.00001   0.00143   0.00035   0.00178   2.01012
   A206       1.69545   0.00002   0.00119   0.00026   0.00146   1.69691
   A207       1.95545   0.00000  -0.00039   0.00007  -0.00032   1.95513
   A208       1.66555   0.00001  -0.00010   0.00024   0.00014   1.66569
   A209       0.83359   0.00000   0.00021   0.00016   0.00037   0.83396
   A210       2.70407   0.00000  -0.00096   0.00003  -0.00094   2.70313
   A211       2.37916   0.00000   0.00007   0.00024   0.00030   2.37946
   A212       2.25310   0.00002   0.00145   0.00043   0.00189   2.25499
   A213       1.94337   0.00002   0.00120   0.00033   0.00155   1.94492
   A214       2.01326   0.00001  -0.00034   0.00020  -0.00013   2.01312
   A215       1.72944   0.00001  -0.00009   0.00023   0.00013   1.72957
   A216       1.93179  -0.00001  -0.00028   0.00003  -0.00024   1.93155
   A217       1.55563   0.00000   0.00003   0.00008   0.00010   1.55573
   A218       1.45704   0.00001   0.00110   0.00034   0.00143   1.45848
   A219       1.17406   0.00002   0.00080   0.00024   0.00106   1.17512
   A220       1.24643   0.00000  -0.00048  -0.00004  -0.00052   1.24591
   A221       0.95743   0.00001  -0.00018   0.00014  -0.00004   0.95739
   A222       0.71597  -0.00002   0.00006   0.00013   0.00020   0.71617
   A223       1.00979  -0.00002   0.00002   0.00015   0.00017   1.00995
   A224       0.70069  -0.00001  -0.00017  -0.00005  -0.00023   0.70046
   A225       0.99011  -0.00001  -0.00037  -0.00012  -0.00049   0.98962
   A226       0.66115   0.00000  -0.00016   0.00002  -0.00015   0.66100
   A227       0.66588  -0.00001  -0.00010   0.00004  -0.00005   0.66583
   A228       0.70769   0.00000   0.00002  -0.00002   0.00000   0.70769
   A229       0.83626   0.00000   0.00060   0.00042   0.00103   0.83729
   A230       0.77976   0.00001  -0.00060  -0.00014  -0.00074   0.77902
   A231       0.78287   0.00002   0.00007   0.00040   0.00048   0.78335
   A232       1.59871   0.00002  -0.00342  -0.00088  -0.00428   1.59443
   A233       1.85687  -0.00002   0.00268   0.00077   0.00345   1.86032
   A234       2.19094  -0.00001  -0.00010  -0.00019  -0.00029   2.19065
   A235       2.12915   0.00000   0.00009   0.00009   0.00021   2.12936
   A236       1.96274   0.00001   0.00002   0.00010   0.00009   1.96283
   A237       2.12198  -0.00001   0.00006  -0.00005   0.00003   2.12201
   A238       2.12652   0.00000   0.00026  -0.00016   0.00009   2.12661
   A239       2.03322   0.00001  -0.00043   0.00017  -0.00027   2.03296
   A240       1.85103  -0.00004   0.00376   0.00088   0.00463   1.85566
   A241       2.52099   0.00003  -0.00384  -0.00078  -0.00466   2.51633
   A242       1.91314  -0.00002  -0.00003   0.00025   0.00033   1.91347
   A243       1.91827  -0.00001   0.00002   0.00014   0.00011   1.91838
   A244       1.91671   0.00002  -0.00021  -0.00026  -0.00064   1.91607
   A245       1.90877   0.00001   0.00023  -0.00008   0.00010   1.90887
   A246       1.90867   0.00000   0.00021  -0.00006   0.00016   1.90883
   A247       1.89815  -0.00001  -0.00022   0.00001  -0.00006   1.89810
   A248       1.30976  -0.00001  -0.00310  -0.00163  -0.00473   1.30504
   A249       1.90646  -0.00002  -0.00006  -0.00007  -0.00016   1.90631
   A250       1.90913   0.00000   0.00016  -0.00006   0.00011   1.90924
   A251       1.92676   0.00001  -0.00012   0.00013   0.00002   1.92678
   A252       1.91080  -0.00001   0.00007  -0.00003   0.00004   1.91084
   A253       1.89651   0.00001   0.00002   0.00010   0.00012   1.89664
   A254       1.91405   0.00001  -0.00007  -0.00006  -0.00014   1.91391
   A255       1.72049   0.00000  -0.00007  -0.00016  -0.00024   1.72025
   A256       1.77282   0.00000  -0.00035   0.00007  -0.00029   1.77253
   A257       2.19060  -0.00001   0.00003  -0.00004  -0.00001   2.19059
   A258       2.13004   0.00000  -0.00001   0.00003   0.00002   2.13005
   A259       1.96235   0.00001  -0.00002   0.00001  -0.00001   1.96234
   A260       2.12353   0.00001   0.00001  -0.00003  -0.00002   2.12351
   A261       2.12432   0.00000   0.00000   0.00001   0.00002   2.12434
   A262       2.03517  -0.00001  -0.00002   0.00002  -0.00001   2.03516
   A263       1.34874  -0.00003  -0.00077  -0.00108  -0.00186   1.34688
   A264       1.90022  -0.00001  -0.00006  -0.00013  -0.00020   1.90002
   A265       1.93165   0.00001   0.00000   0.00013   0.00013   1.93178
   A266       1.91002  -0.00002  -0.00001  -0.00007  -0.00008   1.90994
   A267       1.89790   0.00000   0.00004   0.00005   0.00010   1.89800
   A268       1.91285   0.00000  -0.00007   0.00002  -0.00005   1.91280
   A269       1.91106   0.00002   0.00011   0.00000   0.00010   1.91117
   A270       2.65561   0.00001   0.00108   0.00046   0.00154   2.65714
   A271       1.70781  -0.00001  -0.00101  -0.00043  -0.00144   1.70637
   A272       1.92421   0.00001   0.00000   0.00001   0.00002   1.92423
   A273       1.91434   0.00000  -0.00010  -0.00013  -0.00024   1.91410
   A274       1.91386  -0.00001  -0.00004  -0.00001  -0.00005   1.91381
   A275       1.89384   0.00001   0.00007   0.00008   0.00015   1.89400
   A276       1.91091   0.00000  -0.00001   0.00002   0.00000   1.91091
   A277       1.90646   0.00000   0.00008   0.00003   0.00012   1.90658
   A278       1.81175  -0.00002  -0.00026  -0.00027  -0.00053   1.81122
   A279       1.75044   0.00001   0.00030   0.00026   0.00056   1.75099
   A280       2.19028   0.00000  -0.00007  -0.00002  -0.00009   2.19019
   A281       2.13028   0.00000   0.00005  -0.00006  -0.00001   2.13028
   A282       1.96254   0.00000   0.00002   0.00007   0.00009   1.96264
   A283       2.12227   0.00001  -0.00003   0.00009   0.00006   2.12233
   A284       2.11690   0.00000  -0.00012  -0.00011  -0.00023   2.11667
   A285       2.04053   0.00000   0.00019   0.00003   0.00021   2.04074
   A286       2.69480   0.00001  -0.00011  -0.00019  -0.00029   2.69450
   A287       1.66436  -0.00001   0.00015   0.00020   0.00036   1.66472
   A288       1.92587   0.00001   0.00000  -0.00005  -0.00004   1.92583
   A289       1.91526   0.00000   0.00012   0.00011   0.00023   1.91549
   A290       1.91280  -0.00001  -0.00005  -0.00004  -0.00009   1.91271
   A291       1.89078   0.00001   0.00007  -0.00001   0.00006   1.89084
   A292       1.91243  -0.00001  -0.00002   0.00001  -0.00001   1.91242
   A293       1.90647  -0.00001  -0.00012  -0.00002  -0.00014   1.90633
   A294       1.36839  -0.00005  -0.00055  -0.00149  -0.00204   1.36634
   A295       1.14154   0.00003   0.00050   0.00078   0.00128   1.14282
   A296       1.93202   0.00000   0.00003   0.00002   0.00006   1.93208
   A297       1.90738  -0.00003  -0.00004  -0.00005  -0.00009   1.90728
   A298       1.90212   0.00002   0.00007  -0.00010  -0.00005   1.90208
   A299       1.90965   0.00003  -0.00005   0.00005   0.00000   1.90965
   A300       1.89728  -0.00001  -0.00001   0.00010   0.00009   1.89737
   A301       1.91533  -0.00001   0.00000  -0.00002  -0.00001   1.91532
   A302       1.72215   0.00005  -0.00110  -0.00140  -0.00250   1.71965
   A303       1.75323   0.00005   0.00051   0.00156   0.00210   1.75533
   A304       2.19371   0.00003  -0.00002  -0.00007  -0.00005   2.19367
   A305       2.12968  -0.00003   0.00002   0.00007   0.00014   2.12983
   A306       1.95948   0.00000  -0.00001   0.00001  -0.00010   1.95938
   A307       2.12700  -0.00003  -0.00043   0.00003  -0.00037   2.12663
   A308       2.12074   0.00001  -0.00004  -0.00008  -0.00013   2.12061
   A309       2.03453   0.00002   0.00040   0.00004   0.00045   2.03498
   A310       1.40582   0.00005  -0.00403  -0.00097  -0.00501   1.40082
   A311       2.94804   0.00001   0.00454   0.00103   0.00557   2.95361
   A312       1.90819   0.00004  -0.00003  -0.00025  -0.00032   1.90787
   A313       1.92852  -0.00001  -0.00022  -0.00003  -0.00024   1.92828
   A314       1.90514   0.00002   0.00011   0.00010   0.00018   1.90532
   A315       1.91469  -0.00006  -0.00036  -0.00006  -0.00041   1.91428
   A316       1.91291   0.00000  -0.00026   0.00017  -0.00006   1.91285
   A317       1.89428   0.00001   0.00077   0.00008   0.00086   1.89514
   A318       1.68914   0.00005   0.00299   0.00200   0.00499   1.69413
   A319       1.91321   0.00003   0.00001   0.00006   0.00008   1.91329
   A320       1.91409   0.00003  -0.00011   0.00036   0.00024   1.91433
   A321       1.92505  -0.00001   0.00002  -0.00023  -0.00021   1.92484
   A322       1.90438   0.00000   0.00016  -0.00006   0.00009   1.90447
   A323       1.91242  -0.00004  -0.00004  -0.00015  -0.00019   1.91222
   A324       1.89447  -0.00001  -0.00003   0.00002  -0.00001   1.89446
   A325       2.91972   0.00001   0.00013   0.00007   0.00019   2.91991
   A326       3.34762  -0.00001  -0.00026  -0.00037  -0.00064   3.34698
   A327       3.06537  -0.00002  -0.00024  -0.00035  -0.00060   3.06477
   A328       3.22381  -0.00001  -0.00318  -0.00170  -0.00486   3.21895
   A329       3.25980  -0.00001  -0.00067  -0.00108  -0.00175   3.25805
   A330       3.27803  -0.00002  -0.00060  -0.00145  -0.00204   3.27599
   A331       3.60156   0.00001   0.00295   0.00185   0.00479   3.60636
   A332       3.22467  -0.00001   0.00013   0.00000   0.00010   3.22478
   A333       3.04917  -0.00002  -0.00238  -0.00077  -0.00315   3.04602
   A334       2.98949  -0.00002  -0.00272  -0.00090  -0.00362   2.98586
   A335       3.23683   0.00000   0.00013   0.00003   0.00016   3.23700
   A336       3.07729   0.00000   0.00035   0.00038   0.00073   3.07801
   A337       3.09835   0.00001   0.00023   0.00023   0.00046   3.09881
   A338       3.03641  -0.00001  -0.00035   0.00015  -0.00020   3.03621
    D1        2.76114   0.00000   0.00060  -0.00003   0.00056   2.76170
    D2       -1.35607   0.00000   0.00008  -0.00008  -0.00001  -1.35608
    D3        2.79224  -0.00002   0.00220   0.00032   0.00250   2.79474
    D4       -1.32497  -0.00001   0.00168   0.00027   0.00192  -1.32304
    D5        1.65907  -0.00002   0.00134   0.00004   0.00139   1.66046
    D6       -2.45814  -0.00001   0.00082  -0.00001   0.00082  -2.45732
    D7        1.83307  -0.00001   0.00240   0.00047   0.00287   1.83594
    D8       -2.28414  -0.00001   0.00187   0.00043   0.00229  -2.28185
    D9        0.31051  -0.00002   0.00244   0.00045   0.00289   0.31340
   D10        2.47649  -0.00001   0.00191   0.00040   0.00232   2.47881
   D11        0.03324  -0.00001   0.00222   0.00039   0.00261   0.03585
   D12        2.19922  -0.00001   0.00170   0.00034   0.00203   2.20125
   D13       -0.43243  -0.00001   0.00207   0.00033   0.00239  -0.43004
   D14        1.73355  -0.00001   0.00155   0.00028   0.00182   1.73536
   D15       -0.55420   0.00000   0.00238   0.00062   0.00301  -0.55119
   D16        1.61178   0.00000   0.00186   0.00057   0.00243   1.61421
   D17        0.21384  -0.00001   0.00229   0.00041   0.00270   0.21655
   D18        2.37982  -0.00001   0.00176   0.00037   0.00213   2.38195
   D19        0.15416  -0.00001   0.00194   0.00028   0.00223   0.15639
   D20        2.32014  -0.00001   0.00142   0.00023   0.00165   2.32179
   D21        2.37434   0.00001   0.00361   0.00108   0.00469   2.37903
   D22       -1.74287   0.00001   0.00309   0.00103   0.00412  -1.73875
   D23        2.12625   0.00001   0.00394   0.00126   0.00521   2.13145
   D24       -1.99096   0.00001   0.00342   0.00122   0.00463  -1.98633
   D25        1.68636   0.00000   0.00371   0.00113   0.00485   1.69121
   D26       -2.43084   0.00000   0.00319   0.00108   0.00427  -2.42657
   D27        1.37941   0.00000   0.00363   0.00108   0.00472   1.38413
   D28       -2.73779   0.00000   0.00311   0.00103   0.00414  -2.73365
   D29        2.32617   0.00002   0.00484   0.00177   0.00661   2.33278
   D30       -1.79103   0.00002   0.00431   0.00172   0.00603  -1.78500
   D31       -1.83510  -0.00001   0.00489   0.00134   0.00624  -1.82886
   D32        0.33088  -0.00001   0.00437   0.00129   0.00566   0.33654
   D33       -2.16659   0.00000   0.00433   0.00111   0.00544  -2.16115
   D34       -0.00061   0.00001   0.00381   0.00106   0.00487   0.00425
   D35       -2.55056   0.00001   0.00476   0.00119   0.00595  -2.54461
   D36       -0.38459   0.00001   0.00424   0.00114   0.00538  -0.37921
   D37       -2.83533   0.00001   0.00467   0.00118   0.00585  -2.82947
   D38       -0.66935   0.00001   0.00414   0.00113   0.00528  -0.66407
   D39       -2.15673   0.00001   0.00311   0.00076   0.00388  -2.15286
   D40        0.00924   0.00001   0.00258   0.00071   0.00330   0.01255
   D41       -2.40982   0.00003   0.00362   0.00154   0.00518  -2.40465
   D42       -0.24384   0.00003   0.00310   0.00149   0.00460  -0.23924
   D43        1.25629  -0.00001  -0.00254  -0.00041  -0.00297   1.25332
   D44       -1.97702  -0.00001  -0.00067   0.00039  -0.00029  -1.97731
   D45        2.44210  -0.00001  -0.00129  -0.00013  -0.00142   2.44067
   D46       -0.79121  -0.00001   0.00058   0.00068   0.00125  -0.78996
   D47        2.92142  -0.00001  -0.00040   0.00019  -0.00022   2.92120
   D48       -0.31188  -0.00002   0.00147   0.00099   0.00245  -0.30943
   D49        2.82116   0.00001   0.00015   0.00041   0.00057   2.82173
   D50       -0.41215   0.00001   0.00202   0.00122   0.00325  -0.40890
   D51        2.02284   0.00000   0.00045   0.00038   0.00083   2.02367
   D52       -1.21047   0.00000   0.00232   0.00119   0.00350  -1.20697
   D53        1.15578  -0.00002   0.00025   0.00025   0.00049   1.15627
   D54       -2.07753  -0.00002   0.00212   0.00106   0.00316  -2.07437
   D55        1.01512   0.00000  -0.00016   0.00048   0.00031   1.01543
   D56       -2.21819   0.00000   0.00171   0.00129   0.00299  -2.21520
   D57        2.00596   0.00000  -0.00032   0.00021  -0.00012   2.00584
   D58       -1.22735   0.00000   0.00154   0.00102   0.00256  -1.22480
   D59        1.81951  -0.00001  -0.00092   0.00001  -0.00091   1.81860
   D60       -1.41380  -0.00001   0.00095   0.00082   0.00176  -1.41204
   D61       -2.31432   0.00001   0.00067   0.00081   0.00147  -2.31285
   D62        0.73555   0.00001   0.00254   0.00161   0.00415   0.73970
   D63       -2.44643   0.00001   0.00033   0.00072   0.00104  -2.44538
   D64        0.60345   0.00001   0.00220   0.00153   0.00372   0.60717
   D65       -2.84822   0.00001   0.00024   0.00070   0.00093  -2.84729
   D66        0.20166   0.00001   0.00211   0.00151   0.00360   0.20526
   D67       -3.02573   0.00001   0.00008   0.00063   0.00071  -3.02503
   D68        0.02414   0.00001   0.00195   0.00144   0.00338   0.02752
   D69       -2.16907   0.00001   0.00015   0.00076   0.00090  -2.16817
   D70        0.88080   0.00001   0.00202   0.00157   0.00358   0.88438
   D71       -0.21298   0.00000   0.00057   0.00092   0.00149  -0.21149
   D72        2.83690   0.00000   0.00244   0.00173   0.00416   2.84106
   D73       -0.60846   0.00001   0.00061   0.00088   0.00148  -0.60698
   D74        2.44141   0.00001   0.00248   0.00169   0.00416   2.44557
   D75       -0.80715   0.00002   0.00195   0.00116   0.00311  -0.80404
   D76        2.24273   0.00002   0.00382   0.00197   0.00578   2.24851
   D77       -1.14186   0.00002   0.00186   0.00107   0.00292  -1.13893
   D78        1.90802   0.00002   0.00373   0.00188   0.00560   1.91362
   D79       -0.86775   0.00001  -0.00039   0.00068   0.00029  -0.86747
   D80        2.18213   0.00001   0.00148   0.00149   0.00296   2.18509
   D81       -1.17570   0.00002  -0.00023   0.00088   0.00064  -1.17506
   D82        1.87417   0.00002   0.00164   0.00169   0.00332   1.87749
   D83       -1.52119  -0.00002  -0.00142  -0.00048  -0.00189  -1.52307
   D84       -2.60154  -0.00001  -0.00087  -0.00023  -0.00109  -2.60263
   D85       -2.93037  -0.00002   0.00018  -0.00001   0.00014  -2.93023
   D86        0.72924  -0.00001   0.00007   0.00008   0.00016   0.72939
   D87        0.30969   0.00000   0.00001   0.00005   0.00007   0.30976
   D88       -0.06531  -0.00001   0.00012   0.00005   0.00017  -0.06514
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   D94        1.64761   0.00000   0.00093   0.00061   0.00154   1.64915
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   D199      -2.21109  -0.00001  -0.00110  -0.00094  -0.00205  -2.21314
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   D304      -2.65077   0.00001   0.00097   0.00097   0.00194  -2.64883
   D305      -0.58713   0.00001   0.00109   0.00151   0.00260  -0.58453
   D306      -2.78483   0.00001   0.00152   0.00125   0.00277  -2.78206
   D307      -0.72119   0.00002   0.00165   0.00179   0.00343  -0.71776
   D308       1.51895  -0.00001   0.00013   0.00062   0.00075   1.51971
   D309      -2.70060  -0.00001   0.00026   0.00116   0.00142  -2.69918
   D310       2.61943   0.00000   0.00014   0.00053   0.00067   2.62010
   D311      -1.60012   0.00000   0.00026   0.00107   0.00133  -1.59879
   D312       3.00272   0.00000   0.00003   0.00046   0.00050   3.00322
   D313      -1.21683   0.00000   0.00016   0.00100   0.00116  -1.21567
   D314      -0.40431   0.00001  -0.00204   0.00015  -0.00189  -0.40620
   D315       1.65933   0.00001  -0.00191   0.00069  -0.00123   1.65810
   D316      -0.27561   0.00000  -0.00110   0.00048  -0.00061  -0.27622
   D317       1.78803   0.00000  -0.00097   0.00102   0.00006   1.78808
   D318       0.14130  -0.00001  -0.00073   0.00061  -0.00011   0.14118
   D319       2.20493   0.00000  -0.00060   0.00115   0.00055   2.20548
   D320       0.28015   0.00000  -0.00080   0.00061  -0.00019   0.27996
   D321       2.34379   0.00001  -0.00068   0.00115   0.00048   2.34426
   D322      -0.55305   0.00000  -0.00022   0.00077   0.00056  -0.55249
   D323       1.51058   0.00000  -0.00009   0.00131   0.00122   1.51181
   D324      -0.58962  -0.00001  -0.00042   0.00026  -0.00017  -0.58979
   D325       1.47402  -0.00001  -0.00029   0.00079   0.00050   1.47451
   D326       0.01050   0.00000   0.00287   0.00136   0.00424   0.01474
   D327       2.19215   0.00001   0.00275   0.00147   0.00422   2.19637
   D328       0.33165   0.00000   0.00208   0.00104   0.00312   0.33478
   D329       2.51330   0.00000   0.00197   0.00115   0.00311   2.51641
   D330       0.69076   0.00001   0.00235   0.00113   0.00348   0.69424
   D331       2.87240   0.00001   0.00224   0.00123   0.00346   2.87586
   D332       0.96835   0.00001   0.00213   0.00109   0.00323   0.97158
   D333      -3.13319   0.00001   0.00201   0.00119   0.00321  -3.12998
   D334       0.30406   0.00000   0.00052   0.00033   0.00085   0.30491
   D335       2.48571   0.00000   0.00041   0.00043   0.00083   2.48654
   D336       0.68359  -0.00001   0.00137   0.00039   0.00176   0.68535
   D337       2.86523   0.00000   0.00126   0.00050   0.00174   2.86698
   D338      -2.39620   0.00000   0.00257   0.00139   0.00396  -2.39224
   D339      -0.21456   0.00000   0.00246   0.00149   0.00395  -0.21062
   D340      -2.00586   0.00000   0.00211   0.00121   0.00333  -2.00253
   D341       0.17578   0.00000   0.00200   0.00131   0.00331   0.17910
   D342      -1.95627   0.00000   0.00197   0.00096   0.00293  -1.95334
   D343       0.22537   0.00000   0.00186   0.00106   0.00292   0.22829
   D344      -1.66488   0.00000   0.00225   0.00109   0.00335  -1.66152
   D345       0.51677   0.00000   0.00214   0.00119   0.00333   0.52010
   D346      -1.62311   0.00000   0.00168   0.00115   0.00283  -1.62027
   D347       0.55854   0.00000   0.00156   0.00125   0.00282   0.56135
   D348      -1.31471   0.00000   0.00134   0.00096   0.00231  -1.31240
   D349       0.86693   0.00000   0.00123   0.00107   0.00229   0.86923
   D350       1.76261  -0.00001   0.00301   0.00120   0.00422   1.76683
   D351      -2.33893   0.00000   0.00290   0.00131   0.00420  -2.33473
   D352       2.17510  -0.00001   0.00377   0.00129   0.00506   2.18016
   D353      -1.92644   0.00000   0.00366   0.00139   0.00505  -1.92140
   D354       2.36267  -0.00001   0.00585   0.00169   0.00754   2.37021
   D355      -1.73887  -0.00001   0.00574   0.00179   0.00753  -1.73135
   D356       2.99662  -0.00001   0.00597   0.00194   0.00790   3.00451
   D357      -1.10492  -0.00001   0.00585   0.00205   0.00788  -1.09704
   D358       2.52043   0.00000   0.00297   0.00125   0.00423   2.52466
   D359      -1.58111   0.00000   0.00286   0.00136   0.00421  -1.57690
   D360       1.61688  -0.00001   0.00015   0.00044   0.00058   1.61746
   D361      -2.48466   0.00000   0.00004   0.00054   0.00056  -2.48410
   D362       1.76072  -0.00002   0.00123   0.00071   0.00192   1.76264
   D363      -2.34082  -0.00001   0.00112   0.00081   0.00190  -2.33892
   D364       2.74006   0.00001   0.00027   0.00034   0.00060   2.74065
   D365      -1.36148   0.00002   0.00016   0.00044   0.00058  -1.36090
   D366       2.70163   0.00002   0.00142   0.00118   0.00260   2.70422
   D367      -1.39992   0.00002   0.00131   0.00129   0.00258  -1.39734
   D368       0.04317  -0.00001   0.00077   0.00031   0.00108   0.04425
   D369      -2.71558  -0.00001   0.00348   0.00134   0.00484  -2.71074
   D370       0.44170   0.00000   0.00099   0.00035   0.00134   0.44304
   D371      -2.31704  -0.00001   0.00371   0.00139   0.00510  -2.31195
   D372       0.63394   0.00001   0.00217   0.00076   0.00293   0.63686
   D373      -2.12480   0.00000   0.00489   0.00180   0.00668  -2.11812
   D374       0.89635   0.00002   0.00168   0.00079   0.00248   0.89883
   D375      -1.86239   0.00002   0.00440   0.00183   0.00623  -1.85616
   D376       0.70670  -0.00001  -0.00002  -0.00012  -0.00014   0.70656
   D377      -2.05204  -0.00002   0.00270   0.00092   0.00362  -2.04843
   D378       1.04018  -0.00001   0.00041   0.00001   0.00041   1.04059
   D379      -1.71856  -0.00002   0.00312   0.00105   0.00417  -1.71439
   D380      -2.81428   0.00002   0.00284   0.00104   0.00388  -2.81039
   D381       0.71017   0.00002   0.00556   0.00208   0.00764   0.71781
   D382      -2.25398   0.00002   0.00298   0.00132   0.00430  -2.24969
   D383       1.27046   0.00001   0.00570   0.00236   0.00805   1.27851
   D384      -1.97932   0.00001   0.00136   0.00067   0.00203  -1.97730
   D385       1.54512   0.00000   0.00408   0.00171   0.00578   1.55090
   D386      -1.63641   0.00000   0.00094   0.00063   0.00157  -1.63484
   D387       1.88803   0.00000   0.00366   0.00166   0.00532   1.89336
   D388      -1.72384   0.00001   0.00323   0.00188   0.00507  -1.71877
   D389       1.80060   0.00001   0.00594   0.00292   0.00883   1.80943
   D390      -1.06147  -0.00002  -0.00092   0.00029  -0.00062  -1.06209
   D391       2.46297  -0.00002   0.00180   0.00133   0.00314   2.46611
   D392       1.78344   0.00000   0.00091   0.00054   0.00144   1.78488
   D393      -0.97530  -0.00001   0.00362   0.00157   0.00520  -0.97011
   D394       2.08278   0.00000   0.00096   0.00042   0.00139   2.08417
   D395      -0.67596   0.00000   0.00368   0.00146   0.00514  -0.67082
   D396       2.02646   0.00000   0.00105   0.00034   0.00138   2.02785
   D397      -0.73228   0.00000   0.00376   0.00138   0.00514  -0.72714
   D398       2.21830   0.00001   0.00124   0.00025   0.00148   2.21978
   D399      -0.54044   0.00000   0.00395   0.00129   0.00524  -0.53520
   D400       2.48523   0.00000   0.00089   0.00053   0.00142   2.48664
   D401      -0.27351   0.00000   0.00360   0.00157   0.00517  -0.26834
   D402      -1.48896   0.00000  -0.00153  -0.00012  -0.00166  -1.49062
   D403       2.03549  -0.00001   0.00118   0.00092   0.00209   2.03758
   D404      -2.59533  -0.00001  -0.00119   0.00005  -0.00113  -2.59646
   D405       0.92911  -0.00001   0.00153   0.00109   0.00262   0.93174
   D406      -2.97151   0.00001  -0.00020   0.00065   0.00045  -2.97106
   D407       0.55293   0.00001   0.00251   0.00169   0.00420   0.55714
   D408       1.87047   0.00000   0.00159  -0.00001   0.00157   1.87205
   D409       2.36620  -0.00001   0.00148  -0.00030   0.00117   2.36736
   D410       2.58926   0.00000   0.00210  -0.00004   0.00206   2.59133
   D411       2.81285   0.00001   0.00144  -0.00007   0.00139   2.81424
   D412       2.79725  -0.00002   0.00119  -0.00105   0.00015   2.79740
   D413      -3.00147  -0.00001   0.00167  -0.00073   0.00095  -3.00052
   D414      -0.79719   0.00001   0.00155   0.00001   0.00156  -0.79562
   D415      -0.41888   0.00001   0.00166   0.00011   0.00178  -0.41710
   D416      -0.10430   0.00000   0.00150  -0.00007   0.00143  -0.10287
   D417       0.20365   0.00000   0.00152  -0.00004   0.00147   0.20512
   D418      -0.28990   0.00001   0.00189   0.00039   0.00229  -0.28761
   D419       0.02518   0.00001   0.00200   0.00057   0.00257   0.02775
   D420      -2.60035   0.00000   0.00115  -0.00021   0.00094  -2.59940
   D421      -2.21881   0.00000   0.00123  -0.00024   0.00099  -2.21782
   D422      -1.97849   0.00001   0.00134  -0.00029   0.00105  -1.97744
   D423      -1.66420   0.00001   0.00130  -0.00029   0.00101  -1.66319
   D424      -2.00019   0.00000   0.00109  -0.00012   0.00096  -1.99922
   D425       1.35813   0.00002  -0.00152  -0.00102  -0.00256   1.35557
   D426       2.50184  -0.00001  -0.00132  -0.00074  -0.00206   2.49978
   D427       2.95432  -0.00002  -0.00058  -0.00052  -0.00112   2.95320
   D428      -3.05420  -0.00002   0.00211   0.00027   0.00239  -3.05181
   D429       0.02732  -0.00003  -0.00001  -0.00049  -0.00050   0.02683
   D430       0.05884  -0.00001   0.00238   0.00061   0.00300   0.06185
   D431       3.14037  -0.00002   0.00026  -0.00016   0.00011   3.14048
   D432      -0.12558   0.00002  -0.00483  -0.00102  -0.00586  -0.13144
   D433       1.97280   0.00002  -0.00454  -0.00088  -0.00546   1.96734
   D434      -2.22286   0.00002  -0.00493  -0.00095  -0.00586  -2.22872
   D435       3.07303   0.00003  -0.00284  -0.00028  -0.00313   3.06990
   D436      -1.11178   0.00003  -0.00256  -0.00014  -0.00273  -1.11451
   D437       0.97575   0.00003  -0.00295  -0.00021  -0.00313   0.97261
   D438      -2.34980   0.00000   0.00017  -0.00037  -0.00020  -2.35000
   D439      -0.25865  -0.00002   0.00032  -0.00048  -0.00017  -0.25882
   D440       1.84903   0.00000   0.00026  -0.00052  -0.00026   1.84877
   D441       0.73462  -0.00001  -0.00183  -0.00111  -0.00294   0.73168
   D442       2.82577  -0.00003  -0.00168  -0.00122  -0.00291   2.82285
   D443      -1.34973  -0.00001  -0.00174  -0.00126  -0.00300  -1.35274
   D444      -0.00586   0.00001   0.00036   0.00010   0.00046  -0.00540
   D445       3.11559   0.00001  -0.00008   0.00005  -0.00004   3.11555
   D446      -3.12624   0.00000   0.00050   0.00002   0.00052  -3.12572
   D447      -0.00480   0.00000   0.00006  -0.00003   0.00003  -0.00477
   D448       2.43110   0.00000   0.00035   0.00090   0.00125   2.43235
   D449      -1.76696   0.00001   0.00036   0.00096   0.00132  -1.76564
   D450       0.34069   0.00002   0.00048   0.00099   0.00148   0.34216
   D451      -0.69132   0.00000   0.00077   0.00094   0.00172  -0.68961
   D452       1.39380   0.00000   0.00078   0.00101   0.00179   1.39559
   D453      -2.78173   0.00002   0.00090   0.00104   0.00195  -2.77979
   D454       2.06370  -0.00001  -0.00079  -0.00043  -0.00121   2.06249
   D455      -2.13506   0.00000  -0.00076  -0.00040  -0.00116  -2.13622
   D456      -0.04151  -0.00001  -0.00075  -0.00045  -0.00120  -0.04271
   D457      -1.09707  -0.00001  -0.00121  -0.00048  -0.00168  -1.09876
   D458       0.98735   0.00000  -0.00118  -0.00045  -0.00163   0.98572
   D459       3.08090   0.00000  -0.00116  -0.00050  -0.00167   3.07923
   D460      -3.07944  -0.00002  -0.00024  -0.00029  -0.00052  -3.07996
   D461      -0.03030  -0.00002   0.00020  -0.00016   0.00005  -0.03025
   D462       0.07572  -0.00001  -0.00057   0.00016  -0.00041   0.07530
   D463       3.12485   0.00000  -0.00013   0.00029   0.00016   3.12501
   D464       1.93486  -0.00001   0.00047  -0.00027   0.00020   1.93506
   D465      -2.26608   0.00001   0.00063  -0.00024   0.00039  -2.26569
   D466      -0.17261   0.00000   0.00053  -0.00023   0.00030  -0.17231
   D467      -1.11814  -0.00001   0.00006  -0.00039  -0.00032  -1.11846
   D468       0.96411   0.00000   0.00022  -0.00036  -0.00014   0.96397
   D469       3.05757  -0.00001   0.00012  -0.00034  -0.00022   3.05735
   D470      -1.65218   0.00001   0.00022   0.00159   0.00181  -1.65038
   D471       0.45223   0.00003   0.00016   0.00163   0.00179   0.45402
   D472       2.54521   0.00001   0.00018   0.00152   0.00169   2.54691
   D473       1.40111   0.00002   0.00063   0.00171   0.00234   1.40345
   D474      -2.77766   0.00004   0.00057   0.00175   0.00232  -2.77534
   D475      -0.68468   0.00002   0.00059   0.00164   0.00223  -0.68245
   D476       0.00073  -0.00001  -0.00047   0.00066   0.00018   0.00091
   D477      -3.09322  -0.00004   0.00041   0.00113   0.00156  -3.09166
   D478       3.11574   0.00008  -0.00078   0.00113   0.00035   3.11609
   D479       0.02179   0.00005   0.00010   0.00160   0.00172   0.02351
   D480      -0.26674   0.00000  -0.00304   0.00002  -0.00302  -0.26976
   D481       1.84224  -0.00005  -0.00364  -0.00023  -0.00388   1.83836
   D482      -2.35909  -0.00003  -0.00276  -0.00009  -0.00286  -2.36195
   D483       2.82943   0.00002  -0.00391  -0.00043  -0.00434   2.82510
   D484      -1.34477  -0.00003  -0.00452  -0.00068  -0.00520  -1.34997
   D485       0.73709   0.00000  -0.00364  -0.00054  -0.00418   0.73290
   D486       0.02573  -0.00002  -0.00329  -0.00239  -0.00567   0.02006
   D487       2.11616   0.00002  -0.00316  -0.00220  -0.00536   2.11080
   D488      -2.08147   0.00002  -0.00325  -0.00209  -0.00535  -2.08682
   D489      -3.07062  -0.00004  -0.00241  -0.00194  -0.00435  -3.07497
   D490      -0.98019   0.00000  -0.00228  -0.00175  -0.00403  -0.98423
   D491       1.10536  -0.00001  -0.00237  -0.00165  -0.00403   1.10134
         Item               Value     Threshold  Converged?
 Maximum Force            0.000076     0.000450     YES
 RMS     Force            0.000013     0.000300     YES
 Maximum Displacement     0.022183     0.001800     NO 
 RMS     Displacement     0.002565     0.001200     NO 
 Predicted change in Energy=-7.991579D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:34:46 2016, MaxMem=  2952790016 cpu:         5.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.857632   -0.609767    1.688334
      2          6           0       -2.128527    1.054165   -1.369157
      3          8           0       -2.652517    0.058498   -1.898143
      4          7           0       -0.840149    1.134270   -0.937964
      5          1           0       -2.699104    1.984229   -1.173836
      6          6           0       -0.341989    2.311855   -0.226163
      7          1           0       -1.105772    3.101869   -0.239454
      8          1           0       -0.107132    2.047981    0.817854
      9          1           0        0.574818    2.681701   -0.712912
     10          6           0        0.097242    0.019203   -1.092105
     11          1           0        0.648443   -0.123997   -0.149651
     12          1           0       -0.460489   -0.895228   -1.332655
     13          1           0        0.821274    0.234134   -1.895234
     14          6           0       -1.980362   -4.034740    2.613427
     15          8           0       -2.128853   -3.890216    3.838966
     16          7           0       -2.907201   -3.732910    1.663864
     17          1           0       -1.036423   -4.416646    2.176634
     18          6           0       -4.222585   -3.193082    2.017090
     19          1           0       -4.489529   -2.404802    1.295445
     20          1           0       -4.990886   -3.983281    1.979148
     21          1           0       -4.183399   -2.768285    3.028631
     22          6           0       -2.631792   -3.906922    0.237373
     23          1           0       -3.328431   -4.641538   -0.198908
     24          1           0       -2.763688   -2.945334   -0.286145
     25          1           0       -1.598506   -4.255163    0.100214
     26          6           0        1.527312    0.377394    2.620528
     27          8           0        1.358449    1.394167    3.314559
     28          7           0        1.151655   -0.884899    2.963802
     29          1           0        2.003999    0.419988    1.621343
     30          6           0        1.460677   -2.034642    2.113528
     31          1           0        2.210882   -2.680626    2.599931
     32          1           0        0.548441   -2.629004    1.945132
     33          1           0        1.847799   -1.684450    1.146941
     34          6           0        0.520279   -1.165740    4.255502
     35          1           0        1.273529   -1.482150    4.997266
     36          1           0        0.012077   -0.261901    4.614495
     37          1           0       -0.211148   -1.977053    4.127291
     38          6           0       -4.564151    1.294956    2.892145
     39          8           0       -4.795613    1.955631    1.865504
     40          7           0       -3.473551    1.431735    3.695618
     41          1           0       -5.242396    0.488761    3.238078
     42          6           0       -2.424367    2.414567    3.414011
     43          1           0       -2.526730    2.768648    2.380331
     44          1           0       -2.498974    3.268292    4.108147
     45          1           0       -1.439466    1.939920    3.546057
     46          6           0       -3.261791    0.560577    4.852194
     47          1           0       -4.078422   -0.172004    4.916896
     48          1           0       -2.303799    0.024964    4.743381
     49          1           0       -3.226731    1.157009    5.778565
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.491462   0.000000
     3  O    3.733797   1.243280   0.000000
     4  N    3.312759   1.360978   2.316011   0.000000
     5  H    3.953341   1.108479   2.057967   2.057615   0.000000
     6  C    3.807670   2.465753   3.634787   1.463397   2.561526
     7  H    4.249459   2.552518   3.795494   2.104737   2.158911
     8  H    3.299335   3.139542   4.220624   2.110706   3.269436
     9  H    4.745162   3.222981   4.324542   2.108868   3.378977
    10  C    3.456585   2.470213   2.865732   1.464868   3.418707
    11  H    3.145564   3.253739   3.739902   2.102517   4.086519
    12  H    3.340639   2.565895   2.456493   2.102090   3.650739
    13  H    4.553094   3.106530   3.478229   2.118239   3.997037
    14  C    3.549831   6.463736   6.128674   6.374254   7.147582
    15  O    3.931936   7.181327   6.984338   7.051615   7.743544
    16  N    3.294878   5.720284   5.208410   5.893356   6.386041
    17  H    3.924939   6.610227   6.264382   6.368038   7.413592
    18  C    3.517755   5.821585   5.326061   6.236921   6.269573
    19  H    3.209890   4.963758   4.431869   5.552577   5.344769
    20  H    4.613291   6.691795   6.069377   7.206073   7.127745
    21  H    3.444530   6.178524   5.882805   6.491619   6.515385
    22  C    3.684541   5.238950   4.503933   5.477683   6.058192
    23  H    4.688295   5.937195   5.043272   6.332275   6.726613
    24  H    3.189730   4.191938   3.410851   4.557196   5.009267
    25  H    3.984744   5.534342   4.869501   5.540659   6.462548
    26  C    3.647097   5.453509   6.163688   4.340576   5.902687
    27  O    4.123535   5.849086   6.711492   4.794302   6.079277
    28  N    3.279989   5.770103   6.245016   4.823702   6.338792
    29  H    3.997133   5.140335   5.848128   3.892227   5.690260
    30  C    3.636239   5.878113   6.114990   4.964615   6.652959
    31  H    4.655349   6.966549   7.168551   6.031494   7.753074
    32  H    3.151579   5.631732   5.677990   4.939904   6.446428
    33  H    3.895930   5.444440   5.706422   4.417813   6.286456
    34  C    3.543151   6.601587   7.030842   5.840625   7.054392
    35  H    4.638346   7.651027   8.082951   6.822041   8.116656
    36  H    3.489877   6.489862   7.043946   5.788383   6.774982
    37  H    3.244826   6.563198   6.812460   5.977690   7.069910
    38  C    3.521701   4.914158   5.303776   5.344506   4.526114
    39  O    3.904405   4.288242   4.728320   4.917291   3.692392
    40  N    3.287569   5.253913   5.818079   5.337918   4.961513
    41  H    3.881378   5.589498   5.768307   6.102113   5.307518
    42  C    3.527852   4.981657   5.815676   4.805058   4.616169
    43  H    3.512867   4.142062   5.066169   4.065320   3.643780
    44  H    4.615859   5.919497   6.811892   5.724420   5.439505
    45  H    3.182279   5.041696   5.886472   4.595073   4.885288
    46  C    3.653953   6.342959   6.796348   6.302332   6.217430
    47  H    3.942988   6.694778   6.966426   6.817048   6.606730
    48  H    3.152025   6.201056   6.650757   5.970805   6.245674
    49  H    4.661107   7.232328   7.776137   7.127977   7.021294
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098937   0.000000
     8  H    1.102161   1.796068   0.000000
     9  H    1.101928   1.795853   1.791620   0.000000
    10  C    2.489786   3.417175   2.793860   2.731440   0.000000
    11  H    2.630624   3.673084   2.494885   2.862625   1.101157
    12  H    3.394665   4.193836   3.662244   3.774966   1.097776
    13  H    2.907903   3.831320   3.393056   2.729324   1.102467
    14  C    7.143305   7.735310   6.613060   7.918589   5.872125
    15  O    7.627833   8.159010   6.962518   8.439166   6.674917
    16  N    6.833133   7.319971   6.478798   7.675986   5.540794
    17  H    7.178328   7.897490   6.670927   7.831481   5.625531
    18  C    7.098982   7.377867   6.770809   8.061083   6.216653
    19  H    6.462525   6.642977   6.265841   7.453430   5.710925
    20  H    8.130460   8.379478   7.847024   9.090998   7.165300
    21  H    7.152477   7.389917   6.685798   8.145067   6.563112
    22  C    6.643136   7.188828   6.493977   7.388866   4.962821
    23  H    7.567645   8.056190   7.494013   8.314408   5.852823
    24  H    5.788459   6.270529   5.762751   6.556773   4.197972
    25  H    6.694108   7.381333   6.516811   7.314684   4.750515
    26  C    3.916641   4.747146   2.951593   4.162799   3.994627
    27  O    4.033653   4.649693   2.967985   4.300273   4.785380
    28  N    4.756688   5.590272   3.845961   5.154765   4.287139
    29  H    3.534982   4.508406   2.784391   3.550585   3.340531
    30  C    5.255073   6.205395   4.561207   5.569327   4.043923
    31  H    6.279238   7.245658   5.559561   6.512004   5.038619
    32  H    5.469870   6.352302   4.855381   5.938812   4.054798
    33  H    4.759311   5.792626   4.226239   4.913533   3.313639
    34  C    5.737813   6.407898   4.747533   6.284180   5.493628
    35  H    6.654967   7.355103   5.642298   7.101548   6.381077
    36  H    5.493773   6.010437   4.445699   6.112506   5.714153
    37  H    6.112644   6.757534   5.211918   6.763823   5.596627
    38  C    5.346456   5.003223   4.973404   6.428726   6.263417
    39  O    4.933227   4.399958   4.804992   6.001411   6.036326
    40  N    5.095259   4.886770   4.471472   6.114479   6.137435
    41  H    6.272052   6.002768   5.887239   7.366091   6.890770
    42  C    4.194963   3.944475   3.499141   5.108617   5.692219
    43  H    3.431554   2.998905   2.969031   4.381246   5.148057
    44  H    4.934936   4.568407   4.246892   5.747599   6.658794
    45  H    3.946192   3.973860   3.038071   4.769318   5.250064
    46  C    6.114076   6.085348   5.332929   7.084429   6.849151
    47  H    6.825067   6.792852   6.123856   7.841621   7.319892
    48  H    5.811621   5.977563   4.932312   6.716831   6.310145
    49  H    6.761078   6.670645   5.927426   7.675659   7.716833
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795557   0.000000
    13  H    1.790304   1.798575   0.000000
    14  C    5.462520   5.266698   6.811789   0.000000
    15  O    6.148727   6.204760   7.654709   1.242933   0.000000
    16  N    5.381050   4.797704   6.504318   1.360809   2.315522
    17  H    5.164998   5.004717   6.454526   1.107998   2.057639
    18  C    6.151501   5.536632   7.245178   2.468111   2.861633
    19  H    5.804234   5.041715   6.734170   3.269510   3.774751
    20  H    7.157366   6.405358   8.159573   3.077046   3.414501
    21  H    6.359279   6.032347   7.635818   2.574815   2.477202
    22  C    5.021977   4.031109   5.798278   2.467049   3.636578
    23  H    6.018814   4.852351   6.623425   3.177219   4.278773
    24  H    4.429583   3.256201   5.054715   3.194983   4.279294
    25  H    4.709325   3.825880   5.476398   2.551595   3.793774
    26  C    2.949186   4.604191   4.572868   5.636555   5.750185
    27  O    3.848336   5.490580   5.364344   6.411886   6.353030
    28  N    3.244346   4.588971   4.997161   4.455759   4.534267
    29  H    2.295620   4.065660   3.714794   6.058379   6.369943
    30  C    3.071200   4.106740   4.650415   4.011363   4.393747
    31  H    4.066666   5.078297   5.534741   4.404581   4.672432
    32  H    3.266983   3.842890   4.797960   2.969437   3.513569
    33  H    2.356824   3.478427   3.740261   4.725384   5.284521
    34  C    4.528469   5.680016   6.315204   4.144970   3.822848
    35  H    5.359670   6.589324   7.117354   4.773490   4.326274
    36  H    4.808437   5.999417   6.578558   4.712579   4.283655
    37  H    4.739720   5.571672   6.498158   3.107407   2.724136
    38  C    6.199765   6.283780   7.283347   5.929528   5.806302
    39  O    6.166315   6.094991   6.975393   6.661048   6.721613
    40  N    5.847840   6.306888   7.151042   5.769150   5.491076
    41  H    6.823061   6.758229   7.948826   5.611872   5.406538
    42  C    5.346601   6.110842   6.593675   6.513956   6.325994
    43  H    4.984970   5.610668   5.992774   6.829270   6.828352
    44  H    6.288298   7.147912   7.501383   7.472444   7.173122
    45  H    4.719891   5.726979   6.134191   6.071156   5.878056
    46  C    6.385688   6.943991   7.893400   5.269826   4.703162
    47  H    6.929318   7.257367   8.401017   4.962716   4.334495
    48  H    5.716614   6.415821   7.340371   4.595923   4.022089
    49  H    7.197340   7.901470   8.724978   6.206915   5.517414
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056754   0.000000
    18  C    1.465067   3.416752   0.000000
    19  H    2.098420   4.092426   1.101552   0.000000
    20  H    2.122223   3.983037   1.102788   1.791761   0.000000
    21  H    2.102801   3.653279   1.097817   1.797156   1.797127
    22  C    1.463218   2.562373   2.491502   2.612866   2.933417
    23  H    2.114936   3.308636   2.794313   2.929886   2.817975
    24  H    2.107938   3.348654   2.737636   2.402526   3.342050
    25  H    2.104859   2.157205   3.418804   3.634616   3.887487
    26  C    6.121659   5.454594   6.795127   6.760091   7.868530
    27  O    6.870771   6.387162   7.339906   7.260017   8.427000
    28  N    5.125946   4.228541   5.925068   6.075894   6.949844
    29  H    6.431816   5.739820   7.209801   7.088833   8.273162
    30  C    4.707937   3.451584   5.800927   6.017577   6.740765
    31  H    5.308324   3.706472   6.480110   6.831784   7.344913
    32  H    3.638569   2.400218   4.804795   5.084634   5.702575
    33  H    5.203213   4.104132   6.315275   6.379866   7.262562
    34  C    5.005454   4.160937   5.622754   5.949403   6.594942
    35  H    5.801379   4.680075   6.481976   6.911411   7.389695
    36  H    5.410760   4.929952   5.768076   5.989372   6.769296
    37  H    4.052186   3.230751   4.692900   5.148482   5.611182
    38  C    5.434482   6.751238   4.585288   4.030289   5.373589
    39  O    5.997187   7.405013   5.182719   4.408177   5.943208
    40  N    5.578740   6.515401   4.976689   4.638109   5.879709
    41  H    5.074820   6.548273   4.010834   3.565576   4.652668
    42  C    6.409962   7.079756   6.052330   5.655044   7.041187
    43  H    6.551972   7.341045   6.208871   5.638629   7.198719
    44  H    7.426843   8.057795   7.006618   6.637589   7.957862
    45  H    6.154503   6.514882   6.035827   5.765826   7.081815
    46  C    5.359591   6.073189   4.801134   4.790749   5.647195
    47  H    4.963268   5.897438   4.190056   4.274261   4.897835
    48  H    4.895829   5.284157   4.633597   4.750730   5.561245
    49  H    6.398764   6.988346   5.836413   5.863405   6.631018
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390442   0.000000
    23  H    3.828453   1.102409   0.000000
    24  H    3.610355   1.102777   1.789875   0.000000
    25  H    4.179486   1.098984   1.797609   1.795153   0.000000
    26  C    6.532539   6.429070   7.531078   6.156456   6.130522
    27  O    6.936847   7.313867   8.410769   6.984866   7.140766
    28  N    5.658105   5.557024   6.647273   5.489759   5.207898
    29  H    7.101368   6.490615   7.574111   6.139604   6.094990
    30  C    5.764654   4.875827   5.922737   4.942979   4.282843
    31  H    6.409235   5.526027   6.508660   5.757243   4.820704
    32  H    4.856303   3.829282   4.865936   4.006102   3.264582
    33  H    6.410211   5.082660   6.111385   4.990929   4.425067
    34  C    5.118393   5.796119   6.836337   5.880302   5.594658
    35  H    5.942031   6.617223   7.626269   6.808411   6.318172
    36  H    5.137991   6.279763   7.314989   6.238746   6.238498
    37  H    4.196651   4.971456   5.960950   5.189551   4.830310
    38  C    4.083323   6.151533   6.806142   5.596718   6.884312
    39  O    4.903371   6.457743   7.066615   5.725187   7.204977
    40  N    4.311487   6.416329   7.216165   5.959620   6.984521
    41  H    3.431281   5.928028   6.464990   5.509732   6.754920
    42  C    5.486772   7.077801   7.978667   6.521873   7.493236
    43  H    5.815709   7.011885   7.887081   6.309978   7.442745
    44  H    6.359473   8.153786   9.044563   7.615052   8.571857
    45  H    5.473947   6.823093   7.804392   6.348625   7.090711
    46  C    3.905901   6.453837   7.251211   6.240356   6.967006
    47  H    3.212046   6.159569   6.834520   6.040821   6.783996
    48  H    3.778294   5.989275   6.874033   5.859206   6.354205
    49  H    4.887257   7.530084   8.328486   7.336507   8.011641
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242587   0.000000
    28  N    1.361006   2.315154   0.000000
    29  H    1.107888   2.057363   2.057040   0.000000
    30  C    2.465646   3.634510   1.463001   2.561768   0.000000
    31  H    3.133557   4.223894   2.116365   3.257951   1.103038
    32  H    3.233076   4.326356   2.107951   3.394089   1.101725
    33  H    2.554481   3.796830   2.103540   2.162895   1.098539
    34  C    2.463436   2.853249   1.464923   3.413905   2.495475
    35  H    3.028397   3.333454   2.122861   3.943167   2.942145
    36  H    2.584673   2.499022   2.100369   3.659464   3.390559
    37  H    3.291808   3.806481   2.098509   4.114906   2.617930
    38  C    6.166167   5.938474   6.117789   6.746933   6.927555
    39  O    6.560508   6.347242   6.681681   6.975136   7.424618
    40  N    5.222651   4.847148   5.224450   5.943888   6.234211
    41  H    6.798729   6.663090   6.545691   7.424877   7.250060
    42  C    4.516132   3.919286   4.886419   5.177106   6.048163
    43  H    4.712860   4.225707   5.217217   5.159435   6.248375
    44  H    5.175063   4.361403   5.646735   5.879948   6.912196
    45  H    3.478485   2.860029   3.877181   4.227548   5.124463
    46  C    5.286718   4.940223   5.013375   6.179539   6.044597
    47  H    6.082712   5.880471   5.628188   6.943123   6.481505
    48  H    4.394100   4.162729   3.991856   5.334818   5.032830
    49  H    5.760375   5.210705   5.591292   6.722071   6.752106
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787495   0.000000
    33  H    1.798716   1.793774   0.000000
    34  C    2.809615   2.734912   3.419726   0.000000
    35  H    2.839399   3.340142   3.898168   1.103501   0.000000
    36  H    3.839719   3.607820   4.173422   1.097302   1.796325
    37  H    2.948571   2.400798   3.634194   1.099842   1.790545
    38  C    7.860771   6.514054   7.282562   5.810783   6.798703
    39  O    8.433577   7.041600   7.609299   6.611637   7.645963
    40  N    7.101044   5.977476   6.672565   4.796981   5.720121
    41  H    8.124260   6.702683   7.704970   6.081197   7.031111
    42  C    6.936083   6.035959   6.339790   4.711438   5.600494
    43  H    7.224111   6.227417   6.363005   5.317889   6.273723
    44  H    7.736090   6.981652   7.224460   5.366399   6.130988
    45  H    5.964029   5.233527   5.449580   3.740193   4.601838
    46  C    6.747461   5.756935   6.699026   4.200031   4.976234
    47  H    7.156595   6.022963   7.184716   4.751105   5.510564
    48  H    5.683039   4.796771   5.752585   3.103420   3.890132
    49  H    7.375554   6.578832   7.434830   4.664223   5.275219
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796927   0.000000
    38  C    5.131487   5.583929   0.000000
    39  O    5.965591   6.449729   1.242601   0.000000
    40  N    3.982755   4.738085   1.361501   2.317678   0.000000
    41  H    5.483385   5.673130   1.108890   2.057980   2.056054
    42  C    3.813253   4.969249   2.470739   2.869025   1.464940
    43  H    4.541063   5.561966   2.566088   2.464522   2.100902
    44  H    4.361654   5.722601   3.104460   3.468007   2.119651
    45  H    2.845444   4.145996   3.256876   3.753428   2.101934
    46  C    3.383959   4.033791   2.465207   3.635808   1.463361
    47  H    4.102647   4.340217   2.547061   3.788428   2.104606
    48  H    2.337132   2.960883   3.185773   4.268347   2.108348
    49  H    3.722667   4.652182   3.184202   4.290831   2.115434
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417744   0.000000
    43  H    3.648076   1.097427   0.000000
    44  H    4.001147   1.102832   1.798823   0.000000
    45  H    4.082033   1.101252   1.796622   1.789713   0.000000
    46  C    2.556037   2.491371   3.394996   2.909848   2.632385
    47  H    2.147063   3.418320   4.182026   3.870964   3.647398
    48  H    3.334127   2.737145   3.627879   3.310709   2.418205
    49  H    3.311123   2.795775   3.825622   2.788807   2.965023
                   46         47         48         49
    46  C    0.000000
    47  H    1.098976   0.000000
    48  H    1.102937   1.793932   0.000000
    49  H    1.102327   1.798367   1.790234   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2141072      0.1923846      0.1853830
 Leave Link  202 at Mon Nov 14 01:34:46 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.3594875818 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842770139 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.1752105679 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4032
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     216
 GePol: Fraction of low-weight points (<1% of avg)   =       5.36%
 GePol: Cavity surface area                          =    465.738 Ang**2
 GePol: Cavity volume                                =    457.799 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039741794 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.1712363885 Hartrees.
 Leave Link  301 at Mon Nov 14 01:34:47 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37518.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.48D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:34:48 2016, MaxMem=  2952790016 cpu:        14.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:34:48 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000198    0.001458    0.000533
         Rot=    1.000000   -0.000131    0.000005   -0.000152 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50895808894    
 Leave Link  401 at Mon Nov 14 01:34:55 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48771072.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.44D-15 for   2781.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.61D-15 for   1459   1209.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.22D-15 for   2211.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.33D-10 for   1422   1418.
 Iteration    2 A*A^-1 deviation from unit magnitude is 8.99D-15 for    194.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.33D-14 for   2349    149.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for    134.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.32D-16 for   1869    981.
 E= -1013.45114991334    
 DIIS: error= 2.18D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45114991334     IErMin= 1 ErrMin= 2.18D-04
 ErrMax= 2.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.21D-05 BMatP= 5.21D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.18D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.71D-05 MaxDP=1.53D-03              OVMax= 1.98D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.71D-05    CP:  1.00D+00
 E= -1013.45123402733     Delta-E=       -0.000084113987 Rises=F Damp=F
 DIIS: error= 2.41D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45123402733     IErMin= 2 ErrMin= 2.41D-05
 ErrMax= 2.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.63D-07 BMatP= 5.21D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-01 0.982D+00
 Coeff:      0.181D-01 0.982D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.86D-06 MaxDP=2.24D-04 DE=-8.41D-05 OVMax= 3.05D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.68D-06    CP:  1.00D+00  9.62D-01
 E= -1013.45123330682     Delta-E=        0.000000720508 Rises=F Damp=F
 DIIS: error= 3.81D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45123402733     IErMin= 2 ErrMin= 2.41D-05
 ErrMax= 3.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-06 BMatP= 7.63D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-02 0.611D+00 0.388D+00
 Coeff:      0.155D-02 0.611D+00 0.388D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.94D-06 MaxDP=2.17D-04 DE= 7.21D-07 OVMax= 2.87D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.35D-06    CP:  1.00D+00  9.71D-01  4.51D-01
 E= -1013.45123451776     Delta-E=       -0.000001210937 Rises=F Damp=F
 DIIS: error= 2.34D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45123451776     IErMin= 4 ErrMin= 2.34D-05
 ErrMax= 2.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-07 BMatP= 7.63D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.333D-04 0.277D+00 0.274D+00 0.449D+00
 Coeff:     -0.333D-04 0.277D+00 0.274D+00 0.449D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.57D-06 MaxDP=8.24D-05 DE=-1.21D-06 OVMax= 1.52D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.91D-07    CP:  1.00D+00  9.74D-01  5.01D-01  4.44D-01
 E= -1013.45123467291     Delta-E=       -0.000000155152 Rises=F Damp=F
 DIIS: error= 1.06D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45123467291     IErMin= 5 ErrMin= 1.06D-05
 ErrMax= 1.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.44D-08 BMatP= 2.32D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.152D-04 0.152D+00 0.170D+00 0.342D+00 0.336D+00
 Coeff:     -0.152D-04 0.152D+00 0.170D+00 0.342D+00 0.336D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.10D-07 MaxDP=2.75D-05 DE=-1.55D-07 OVMax= 5.42D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.36D-07    CP:  1.00D+00  9.75D-01  4.90D-01  5.08D-01  4.71D-01
 E= -1013.45123471184     Delta-E=       -0.000000038935 Rises=F Damp=F
 DIIS: error= 3.85D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45123471184     IErMin= 6 ErrMin= 3.85D-07
 ErrMax= 3.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-10 BMatP= 4.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.214D-04 0.463D-01 0.540D-01 0.112D+00 0.129D+00 0.659D+00
 Coeff:     -0.214D-04 0.463D-01 0.540D-01 0.112D+00 0.129D+00 0.659D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.34D-08 MaxDP=2.43D-06 DE=-3.89D-08 OVMax= 3.33D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.64D-08    CP:  1.00D+00  9.75D-01  4.92D-01  5.11D-01  4.78D-01
                    CP:  9.11D-01
 E= -1013.45123471205     Delta-E=       -0.000000000205 Rises=F Damp=F
 DIIS: error= 2.27D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45123471205     IErMin= 7 ErrMin= 2.27D-07
 ErrMax= 2.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.01D-11 BMatP= 1.85D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.148D-04 0.112D-01 0.138D-01 0.294D-01 0.388D-01 0.361D+00
 Coeff-Com:  0.546D+00
 Coeff:     -0.148D-04 0.112D-01 0.138D-01 0.294D-01 0.388D-01 0.361D+00
 Coeff:      0.546D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.79D-08 MaxDP=1.13D-06 DE=-2.05D-10 OVMax= 1.12D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.23D-08    CP:  1.00D+00  9.75D-01  4.92D-01  5.12D-01  4.77D-01
                    CP:  9.18D-01  7.26D-01
 E= -1013.45123471210     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 3.50D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45123471210     IErMin= 8 ErrMin= 3.50D-08
 ErrMax= 3.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.43D-13 BMatP= 4.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.415D-05 0.146D-02 0.200D-02 0.425D-02 0.694D-02 0.932D-01
 Coeff-Com:  0.204D+00 0.688D+00
 Coeff:     -0.415D-05 0.146D-02 0.200D-02 0.425D-02 0.694D-02 0.932D-01
 Coeff:      0.204D+00 0.688D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.77D-09 MaxDP=2.10D-07 DE=-4.77D-11 OVMax= 3.14D-07

 Error on total polarization charges =  0.04291
 SCF Done:  E(RB97D) =  -1013.45123471     A.U. after    8 cycles
            NFock=  8  Conv=0.48D-08     -V/T= 2.0213
 KE= 9.923508654089D+02 PE=-6.027817350606D+03 EE= 2.173844014096D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.49
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:36:37 2016, MaxMem=  2952790016 cpu:      1166.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37518.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 01:36:45 2016, MaxMem=  2952790016 cpu:        96.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:36:45 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:37:22 2016, MaxMem=  2952790016 cpu:       439.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.30692739D+00-2.70672184D+00 3.30334569D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000489080   -0.000211704    0.000062144
      2        6           0.000000478    0.000070417    0.000019045
      3        8           0.000004823    0.000060726   -0.000051572
      4        7           0.000011266    0.000068669    0.000079120
      5        1           0.000008755    0.000017488    0.000047690
      6        6           0.000113976    0.000033817    0.000075653
      7        1          -0.000014160   -0.000020476    0.000069545
      8        1           0.000057705   -0.000012843    0.000008558
      9        1          -0.000024818    0.000062814   -0.000016243
     10        6           0.000008508    0.000021549   -0.000037507
     11        1          -0.000011134    0.000013878   -0.000022970
     12        1          -0.000003793    0.000030491    0.000028998
     13        1           0.000014086    0.000020147    0.000013407
     14        6          -0.000055505   -0.000009981   -0.000034079
     15        8          -0.000010541   -0.000020828   -0.000026800
     16        7          -0.000024787    0.000029136   -0.000011991
     17        1          -0.000005092   -0.000002077   -0.000030750
     18        6          -0.000040777    0.000005292   -0.000015710
     19        1          -0.000011969    0.000012239   -0.000024722
     20        1          -0.000006084    0.000003655   -0.000042044
     21        1           0.000007970    0.000011520   -0.000041734
     22        6          -0.000061361    0.000025114   -0.000039403
     23        1           0.000010754    0.000004070   -0.000026357
     24        1          -0.000036289    0.000021698   -0.000006261
     25        1           0.000004804    0.000022493   -0.000029975
     26        6          -0.000002123    0.000015243    0.000006741
     27        8          -0.000027410   -0.000013022    0.000044242
     28        7           0.000004741    0.000006885    0.000008995
     29        1           0.000011503   -0.000003416    0.000031260
     30        6          -0.000022266   -0.000053094   -0.000005802
     31        1           0.000012717    0.000012679    0.000000825
     32        1          -0.000010120   -0.000004702   -0.000004929
     33        1          -0.000005276    0.000007808    0.000004736
     34        6          -0.000006598   -0.000028967    0.000047525
     35        1          -0.000017743   -0.000023789    0.000006316
     36        1          -0.000063989   -0.000033154   -0.000042822
     37        1           0.000012984   -0.000043809    0.000005091
     38        6           0.000066385    0.000027558   -0.000033746
     39        8          -0.000036448    0.000012970    0.000045078
     40        7          -0.000007182   -0.000088311   -0.000035797
     41        1          -0.000076021    0.000045218    0.000018515
     42        6          -0.000034595   -0.000072659   -0.000023530
     43        1          -0.000001977    0.000051083    0.000039609
     44        1          -0.000032023    0.000004024    0.000010071
     45        1          -0.000056731    0.000034744    0.000002994
     46        6          -0.000000921   -0.000060635   -0.000155132
     47        1          -0.000016144   -0.000005441    0.000041591
     48        1          -0.000092898   -0.000014884    0.000018939
     49        1          -0.000023759   -0.000029632    0.000023192
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000489080 RMS     0.000057360
 Leave Link  716 at Mon Nov 14 01:37:22 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000073500 RMS     0.000011885
 Search for a local minimum.
 Step number  30 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .11885D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   22   23   24   25   26
                                                     27   28   29   30
 DE= -4.57D-06 DEPred=-7.99D-07 R= 5.72D+00
 TightC=F SS=  1.41D+00  RLast= 6.57D-02 DXNew= 2.2445D+00 1.9708D-01
 Trust test= 5.72D+00 RLast= 6.57D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00025   0.00078   0.00127   0.00176   0.00271
     Eigenvalues ---    0.00352   0.00387   0.00450   0.00497   0.00632
     Eigenvalues ---    0.00705   0.00712   0.00780   0.00821   0.00881
     Eigenvalues ---    0.00915   0.01023   0.01029   0.01132   0.01199
     Eigenvalues ---    0.01253   0.01298   0.01337   0.01387   0.01502
     Eigenvalues ---    0.01539   0.01559   0.01629   0.01709   0.01783
     Eigenvalues ---    0.01797   0.01871   0.01879   0.01948   0.01991
     Eigenvalues ---    0.02109   0.02151   0.02255   0.02373   0.02432
     Eigenvalues ---    0.02667   0.02684   0.03050   0.03091   0.03640
     Eigenvalues ---    0.04074   0.04391   0.04522   0.04777   0.04915
     Eigenvalues ---    0.05468   0.05670   0.05957   0.06154   0.06341
     Eigenvalues ---    0.06573   0.06776   0.07197   0.07326   0.07506
     Eigenvalues ---    0.07764   0.07944   0.08077   0.08204   0.08246
     Eigenvalues ---    0.08366   0.08437   0.08589   0.08689   0.08826
     Eigenvalues ---    0.08838   0.09090   0.09341   0.09672   0.09840
     Eigenvalues ---    0.09876   0.10001   0.10112   0.10240   0.10363
     Eigenvalues ---    0.10482   0.10592   0.10606   0.10646   0.11216
     Eigenvalues ---    0.11301   0.11367   0.11603   0.12154   0.13229
     Eigenvalues ---    0.13491   0.14173   0.14559   0.15176   0.15315
     Eigenvalues ---    0.15619   0.16361   0.22025   0.23146   0.23770
     Eigenvalues ---    0.23864   0.24446   0.25123   0.25775   0.26519
     Eigenvalues ---    0.26980   0.27808   0.28613   0.29295   0.29714
     Eigenvalues ---    0.29874   0.30002   0.32721   0.32732   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33426   0.33451   0.33489   0.33689
     Eigenvalues ---    0.33792   0.33828   0.33831   0.33915   0.33943
     Eigenvalues ---    0.33998   0.34008   0.34156   0.37283   0.39369
     Eigenvalues ---    0.40577   0.41363   0.85936   0.85986   0.86080
     Eigenvalues ---    0.87287
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    30   29   28   27   26
 RFO step:  Lambda=-8.29101011D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.20D-05 SmlDif=  1.00D-05
 RMS Error=  0.1172175148D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    3.11714   -2.25851    0.05206   -0.22614    0.31544
 Iteration  1 RMS(Cart)=  0.00462361 RMS(Int)=  0.00013069
 Iteration  2 RMS(Cart)=  0.00006746 RMS(Int)=  0.00001682
 Iteration  3 RMS(Cart)=  0.00000007 RMS(Int)=  0.00001682
 ITry= 1 IFail=0 DXMaxC= 3.77D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59791  -0.00001  -0.00453  -0.00004  -0.00460   6.59331
    R2        6.26021   0.00000   0.00152   0.00033   0.00189   6.26209
    R3        7.19545   0.00000   0.00374   0.00332   0.00718   7.20263
    R4        6.23484   0.00001   0.00435   0.00413   0.00837   6.24321
    R5        6.53200   0.00003  -0.00451  -0.00142  -0.00588   6.52611
    R6        5.94425   0.00002  -0.00120   0.00182   0.00060   5.94485
    R7        6.70821   0.00000  -0.00068   0.00008  -0.00060   6.70761
    R8        6.22642   0.00000   0.00047  -0.00002   0.00046   6.22687
    R9        6.64759   0.00000  -0.00089  -0.00011  -0.00101   6.64659
   R10        6.06581   0.00001   0.00476   0.00161   0.00638   6.07219
   R11        6.96277   0.00000   0.00253  -0.00015   0.00239   6.96517
   R12        6.02772   0.00000   0.00466   0.00055   0.00520   6.03292
   R13        6.89201  -0.00003  -0.00067  -0.00133  -0.00200   6.89001
   R14        6.19828  -0.00001  -0.00195  -0.00017  -0.00213   6.19615
   R15        6.87150   0.00001  -0.00052  -0.00013  -0.00066   6.87084
   R16        5.95562   0.00001  -0.00010   0.00001  -0.00008   5.95554
   R17        6.69559  -0.00001  -0.00629  -0.00060  -0.00690   6.68869
   R18        6.65505   0.00007   0.00484   0.00231   0.00717   6.66222
   R19        6.21261   0.00000   0.00037  -0.00014   0.00020   6.21280
   R20        6.66667  -0.00001  -0.00949   0.00008  -0.00944   6.65723
   R21        6.01364   0.00000   0.00756   0.00055   0.00816   6.02180
   R22        6.90497  -0.00004   0.00837  -0.00157   0.00676   6.91174
   R23        5.95646   0.00000  -0.00116  -0.00003  -0.00116   5.95530
   R24        2.34946   0.00001   0.00008   0.00005   0.00013   2.34959
   R25        2.57188   0.00002  -0.00002   0.00011   0.00010   2.57197
   R26        2.09472   0.00000  -0.00010   0.00004  -0.00007   2.09465
   R27        2.76542  -0.00001   0.00079  -0.00021   0.00053   2.76595
   R28        2.76820   0.00001   0.00050   0.00006   0.00054   2.76874
   R29        2.07669  -0.00001  -0.00009  -0.00003  -0.00012   2.07657
   R30        2.08278  -0.00002   0.00034  -0.00017   0.00011   2.08289
   R31        2.08234   0.00000  -0.00005  -0.00002  -0.00006   2.08228
   R32        2.08089   0.00000   0.00011   0.00001   0.00010   2.08098
   R33        2.07450   0.00000   0.00005  -0.00003   0.00002   2.07452
   R34        2.08336   0.00000  -0.00002  -0.00003  -0.00005   2.08331
   R35        2.34880   0.00000   0.00003   0.00003   0.00005   2.34886
   R36        2.57156  -0.00001  -0.00009   0.00000  -0.00010   2.57146
   R37        2.09381   0.00000   0.00002   0.00002   0.00004   2.09385
   R38        2.76857  -0.00001   0.00013   0.00000   0.00012   2.76869
   R39        2.76508  -0.00001   0.00008  -0.00003   0.00003   2.76512
   R40        2.08163   0.00000  -0.00003  -0.00003  -0.00006   2.08158
   R41        2.08397   0.00000  -0.00002   0.00001  -0.00002   2.08395
   R42        2.07457   0.00000  -0.00002   0.00001  -0.00001   2.07457
   R43        2.08325   0.00000   0.00001   0.00000   0.00000   2.08326
   R44        2.08395   0.00001  -0.00004  -0.00004  -0.00011   2.08383
   R45        2.07678   0.00000   0.00000   0.00000   0.00000   2.07678
   R46        2.34815   0.00001   0.00010   0.00002   0.00012   2.34827
   R47        2.57193   0.00002   0.00009  -0.00007   0.00003   2.57196
   R48        2.09360   0.00000  -0.00002  -0.00001  -0.00003   2.09357
   R49        2.76467   0.00001   0.00015   0.00002   0.00018   2.76485
   R50        2.76830   0.00001   0.00011   0.00007   0.00019   2.76849
   R51        2.08444   0.00000  -0.00003   0.00001  -0.00003   2.08441
   R52        2.08196   0.00001   0.00005   0.00004   0.00011   2.08207
   R53        2.07594   0.00000   0.00003   0.00002   0.00005   2.07598
   R54        2.08531   0.00000  -0.00001  -0.00002  -0.00003   2.08528
   R55        2.07360   0.00000   0.00004  -0.00002   0.00002   2.07362
   R56        2.07840   0.00000  -0.00006  -0.00004  -0.00010   2.07830
   R57        2.34818  -0.00002  -0.00009   0.00001  -0.00008   2.34810
   R58        2.57286  -0.00002  -0.00029   0.00005  -0.00026   2.57260
   R59        2.09550   0.00002   0.00006   0.00008   0.00014   2.09564
   R60        2.76834  -0.00001   0.00013   0.00006   0.00021   2.76854
   R61        2.76535  -0.00002  -0.00026  -0.00004  -0.00032   2.76503
   R62        2.07384   0.00000   0.00036  -0.00006   0.00030   2.07414
   R63        2.08405   0.00001  -0.00002   0.00000  -0.00002   2.08403
   R64        2.08106  -0.00002  -0.00030  -0.00009  -0.00034   2.08072
   R65        2.07676  -0.00001  -0.00017   0.00003  -0.00015   2.07662
   R66        2.08425  -0.00004  -0.00039  -0.00002  -0.00042   2.08383
   R67        2.08310   0.00001  -0.00003   0.00005   0.00002   2.08312
    A1        0.68393   0.00000   0.00000  -0.00028  -0.00028   0.68365
    A2        0.95969   0.00000  -0.00016  -0.00043  -0.00057   0.95912
    A3        0.72689   0.00000   0.00063   0.00011   0.00074   0.72763
    A4        1.01988   0.00000   0.00051   0.00005   0.00058   1.02046
    A5        2.32586   0.00001   0.00155   0.00087   0.00240   2.32827
    A6        2.00481   0.00001   0.00152   0.00081   0.00233   2.00714
    A7        1.96022   0.00000   0.00124   0.00057   0.00180   1.96202
    A8        1.66665   0.00000   0.00063   0.00036   0.00100   1.66765
    A9        1.63616   0.00001   0.00170   0.00085   0.00255   1.63870
   A10        1.35394   0.00001   0.00179   0.00086   0.00266   1.35660
   A11        1.73843   0.00000   0.00014  -0.00007   0.00008   1.73851
   A12        2.03945   0.00000   0.00061   0.00023   0.00085   2.04030
   A13        1.93901   0.00001   0.00136   0.00061   0.00197   1.94098
   A14        2.02187   0.00001   0.00138   0.00087   0.00226   2.02413
   A15        2.43617   0.00000   0.00048   0.00007   0.00056   2.43673
   A16        1.55275  -0.00001   0.00183  -0.00091   0.00091   1.55366
   A17        1.77277  -0.00002   0.00004  -0.00125  -0.00121   1.77156
   A18        1.57814  -0.00002  -0.00255  -0.00137  -0.00391   1.57423
   A19        1.71082  -0.00002  -0.00108  -0.00126  -0.00234   1.70848
   A20        2.18437  -0.00002  -0.00055  -0.00115  -0.00170   2.18267
   A21        2.40656  -0.00001   0.00062  -0.00161  -0.00098   2.40558
   A22        0.64980  -0.00001  -0.00013  -0.00031  -0.00044   0.64936
   A23        0.66124   0.00000  -0.00002  -0.00010  -0.00012   0.66112
   A24        2.38207   0.00001   0.00042   0.00043   0.00086   2.38292
   A25        2.20306   0.00001   0.00079   0.00050   0.00130   2.20436
   A26        2.30123   0.00001   0.00100   0.00043   0.00144   2.30267
   A27        2.03667   0.00000   0.00039   0.00021   0.00062   2.03729
   A28        1.79615   0.00002   0.00094   0.00050   0.00144   1.79759
   A29        1.55278   0.00001   0.00126   0.00062   0.00188   1.55466
   A30        1.34393  -0.00001   0.00021   0.00004   0.00025   1.34418
   A31        1.64151   0.00000   0.00026   0.00014   0.00041   1.64191
   A32        1.58951   0.00000   0.00036   0.00021   0.00056   1.59007
   A33        1.73901   0.00001   0.00009   0.00030   0.00039   1.73939
   A34        2.03855   0.00000   0.00050   0.00015   0.00065   2.03920
   A35        1.79497  -0.00001   0.00408  -0.00022   0.00386   1.79883
   A36        1.88399  -0.00001   0.00247  -0.00039   0.00208   1.88607
   A37        1.55661  -0.00001   0.00037  -0.00044  -0.00006   1.55655
   A38        1.57143  -0.00002   0.00139  -0.00038   0.00100   1.57243
   A39        2.25991  -0.00001   0.00104  -0.00036   0.00068   2.26059
   A40        2.35442   0.00000   0.00333  -0.00101   0.00232   2.35675
   A41        0.69323   0.00000  -0.00009  -0.00018  -0.00026   0.69297
   A42        0.75333   0.00000  -0.00081  -0.00046  -0.00127   0.75206
   A43        2.65751   0.00001  -0.00073  -0.00016  -0.00089   2.65662
   A44        2.58748   0.00001   0.00042   0.00013   0.00054   2.58803
   A45        2.64262   0.00001   0.00133   0.00034   0.00167   2.64428
   A46        2.33772   0.00000   0.00104   0.00026   0.00131   2.33902
   A47        2.18006   0.00001   0.00061   0.00013   0.00074   2.18080
   A48        1.94299   0.00001   0.00109   0.00031   0.00141   1.94440
   A49        1.10559  -0.00001  -0.00098  -0.00038  -0.00136   1.10423
   A50        1.46529   0.00000  -0.00105  -0.00036  -0.00142   1.46387
   A51        1.56701   0.00000  -0.00117  -0.00048  -0.00165   1.56536
   A52        1.80153   0.00000  -0.00135  -0.00046  -0.00181   1.79972
   A53        1.79011   0.00000  -0.00071  -0.00022  -0.00093   1.78918
   A54        1.63362  -0.00001   0.00595   0.00065   0.00661   1.64023
   A55        1.59697  -0.00001   0.00394   0.00041   0.00435   1.60132
   A56        1.21548  -0.00001   0.00189   0.00027   0.00218   1.21765
   A57        1.18796  -0.00002   0.00203   0.00009   0.00211   1.19006
   A58        1.92044  -0.00001   0.00177   0.00026   0.00204   1.92248
   A59        1.97052   0.00000   0.00380  -0.00061   0.00320   1.97372
   A60        0.85149  -0.00001   0.00001  -0.00004   0.00000   0.85149
   A61        0.79363  -0.00001  -0.00080  -0.00032  -0.00112   0.79252
   A62        2.61457   0.00000  -0.00125  -0.00015  -0.00139   2.61318
   A63        2.76685   0.00000  -0.00029   0.00002  -0.00025   2.76660
   A64        2.59290   0.00001   0.00115   0.00015   0.00131   2.59421
   A65        2.38682   0.00001   0.00028   0.00007   0.00037   2.38719
   A66        2.18612   0.00001   0.00093   0.00028   0.00124   2.18736
   A67        0.87236  -0.00001  -0.00133  -0.00039  -0.00171   0.87064
   A68        1.24865  -0.00001  -0.00138  -0.00035  -0.00172   1.24692
   A69        1.43269  -0.00001  -0.00163  -0.00052  -0.00214   1.43055
   A70        1.70374  -0.00001  -0.00176  -0.00052  -0.00226   1.70148
   A71        1.53227   0.00000  -0.00088  -0.00014  -0.00102   1.53125
   A72        1.63309   0.00001   0.00640   0.00083   0.00723   1.64032
   A73        1.49237   0.00001   0.00458   0.00066   0.00524   1.49761
   A74        1.07438   0.00001   0.00328   0.00060   0.00389   1.07827
   A75        0.97507   0.00000   0.00299   0.00040   0.00339   0.97846
   A76        1.74602   0.00001   0.00200   0.00044   0.00244   1.74845
   A77        1.74021   0.00001   0.00415  -0.00047   0.00368   1.74389
   A78        1.98749   0.00001  -0.00019   0.00017  -0.00003   1.98746
   A79        1.92480   0.00001   0.00001   0.00012   0.00013   1.92493
   A80        2.20064   0.00000   0.00023   0.00005   0.00028   2.20092
   A81        2.05671   0.00000  -0.00053  -0.00024  -0.00077   2.05594
   A82        1.53568   0.00001   0.00023   0.00010   0.00033   1.53601
   A83        1.36531   0.00001   0.00068   0.00027   0.00095   1.36626
   A84        1.19335   0.00000   0.00143   0.00076   0.00219   1.19554
   A85        1.37880   0.00001   0.00120   0.00072   0.00192   1.38073
   A86        1.21243   0.00001   0.00083   0.00054   0.00136   1.21379
   A87        1.31849   0.00001   0.00016   0.00042   0.00058   1.31906
   A88        1.80473   0.00001   0.00162   0.00077   0.00239   1.80712
   A89        2.22836  -0.00001   0.00417  -0.00020   0.00397   2.23233
   A90        2.28646   0.00000   0.00352   0.00008   0.00362   2.29008
   A91        1.90534   0.00000   0.00222   0.00023   0.00246   1.90780
   A92        1.82293   0.00000   0.00339   0.00050   0.00389   1.82682
   A93        2.59741   0.00000   0.00199   0.00038   0.00239   2.59980
   A94        2.53756   0.00001   0.00460  -0.00007   0.00455   2.54211
   A95        1.90585   0.00001  -0.00001   0.00027   0.00027   1.90611
   A96        1.97776   0.00001   0.00034   0.00030   0.00064   1.97841
   A97        2.35129   0.00000   0.00057   0.00029   0.00087   2.35216
   A98        2.30243   0.00000  -0.00017  -0.00002  -0.00018   2.30225
   A99        1.64636   0.00001   0.00064   0.00029   0.00094   1.64730
   A100       1.54848   0.00001   0.00118   0.00051   0.00171   1.55019
   A101       0.88681   0.00001   0.00117   0.00065   0.00181   0.88862
   A102       1.05781   0.00001   0.00089   0.00057   0.00146   1.05927
   A103       0.92954   0.00001   0.00046   0.00035   0.00081   0.93035
   A104       1.09090   0.00001  -0.00011   0.00024   0.00014   1.09104
   A105       1.48359   0.00001   0.00131   0.00063   0.00193   1.48552
   A106       2.38692  -0.00001   0.00512   0.00018   0.00530   2.39222
   A107       2.28162   0.00000   0.00395   0.00046   0.00442   2.28604
   A108       1.85607   0.00001   0.00316   0.00048   0.00364   1.85971
   A109       1.68372   0.00000   0.00369   0.00064   0.00433   1.68804
   A110       2.43817   0.00001   0.00152   0.00060   0.00212   2.44029
   A111       2.27576   0.00002   0.00383   0.00000   0.00383   2.27960
   A112       0.71341   0.00000   0.00008   0.00001   0.00009   0.71350
   A113       1.00510   0.00000  -0.00010  -0.00004  -0.00015   1.00496
   A114       0.69504   0.00000  -0.00013   0.00000  -0.00013   0.69491
   A115       0.98247   0.00000  -0.00017   0.00002  -0.00016   0.98232
   A116       1.79941   0.00001   0.00050   0.00045   0.00095   1.80037
   A117       1.41967   0.00001   0.00046   0.00036   0.00082   1.42049
   A118       1.18425   0.00001   0.00042   0.00040   0.00082   1.18507
   A119       0.91093   0.00000   0.00051   0.00036   0.00086   0.91179
   A120       1.24822   0.00000   0.00047   0.00026   0.00073   1.24895
   A121       1.98906   0.00000  -0.00522  -0.00052  -0.00573   1.98334
   A122       2.00758   0.00000  -0.00317  -0.00016  -0.00333   2.00425
   A123       2.33795   0.00000  -0.00033   0.00013  -0.00022   2.33773
   A124       2.24650   0.00001  -0.00047   0.00039  -0.00007   2.24643
   A125       1.64095   0.00000  -0.00146  -0.00006  -0.00151   1.63944
   A126       1.50757  -0.00001  -0.00320   0.00067  -0.00254   1.50502
   A127       0.65644   0.00000  -0.00035  -0.00010  -0.00045   0.65599
   A128       0.66140   0.00000  -0.00033  -0.00007  -0.00040   0.66100
   A129       2.15809   0.00001   0.00091   0.00060   0.00151   2.15960
   A130       1.78814   0.00001   0.00077   0.00047   0.00124   1.78938
   A131       1.49084   0.00001   0.00093   0.00058   0.00151   1.49236
   A132       1.19876   0.00001   0.00093   0.00057   0.00149   1.20025
   A133       1.64128   0.00000   0.00046   0.00024   0.00070   1.64198
   A134       1.84460   0.00000  -0.00562  -0.00090  -0.00653   1.83807
   A135       2.02258  -0.00001  -0.00426  -0.00070  -0.00496   2.01762
   A136       2.44192  -0.00001  -0.00300  -0.00061  -0.00362   2.43829
   A137       2.50756   0.00000  -0.00240  -0.00020  -0.00259   2.50497
   A138       1.75953  -0.00001  -0.00198  -0.00043  -0.00241   1.75712
   A139       1.72438  -0.00001  -0.00423   0.00048  -0.00376   1.72063
   A140       0.70501  -0.00001  -0.00007   0.00000  -0.00008   0.70493
   A141       0.83547   0.00000  -0.00045  -0.00022  -0.00067   0.83480
   A142       2.49618   0.00001   0.00014   0.00027   0.00041   2.49659
   A143       2.11632   0.00000   0.00018   0.00023   0.00041   2.11672
   A144       1.89106   0.00000   0.00070   0.00048   0.00118   1.89224
   A145       1.60594   0.00000   0.00082   0.00049   0.00131   1.60724
   A146       1.84237   0.00000  -0.00047  -0.00006  -0.00054   1.84183
   A147       1.41878   0.00000  -0.00567  -0.00095  -0.00663   1.41215
   A148       1.63936  -0.00001  -0.00455  -0.00091  -0.00546   1.63390
   A149       2.06671  -0.00001  -0.00406  -0.00091  -0.00498   2.06173
   A150       2.24231   0.00000  -0.00410  -0.00081  -0.00491   2.23740
   A151       1.46655  -0.00001  -0.00225  -0.00069  -0.00294   1.46361
   A152       1.53293  -0.00001  -0.00488   0.00020  -0.00468   1.52825
   A153       0.76569  -0.00001  -0.00084  -0.00022  -0.00105   0.76464
   A154       0.76967  -0.00001  -0.00141  -0.00052  -0.00194   0.76773
   A155       2.80428   0.00001   0.00035   0.00038   0.00074   2.80502
   A156       2.42333   0.00000   0.00028   0.00028   0.00057   2.42390
   A157       2.14531   0.00000   0.00061   0.00050   0.00110   2.14641
   A158       1.85215   0.00000   0.00057   0.00048   0.00105   1.85320
   A159       2.15462   0.00000  -0.00029  -0.00003  -0.00033   2.15429
   A160       1.28091   0.00000  -0.00453  -0.00092  -0.00547   1.27544
   A161       1.58978  -0.00001  -0.00365  -0.00092  -0.00458   1.58520
   A162       1.99057  -0.00001  -0.00405  -0.00097  -0.00503   1.98554
   A163       2.24882  -0.00001  -0.00383  -0.00094  -0.00477   2.24404
   A164       1.54080  -0.00001  -0.00130  -0.00063  -0.00194   1.53886
   A165       1.68624  -0.00001  -0.00399   0.00022  -0.00377   1.68246
   A166       2.13871   0.00001   0.00179   0.00092   0.00271   2.14142
   A167       1.84506   0.00001   0.00150   0.00075   0.00225   1.84732
   A168       1.45769   0.00001   0.00158   0.00080   0.00238   1.46006
   A169       1.18008   0.00001   0.00132   0.00076   0.00208   1.18216
   A170       1.86076   0.00000   0.00118   0.00051   0.00168   1.86244
   A171       2.04555  -0.00001  -0.00525  -0.00115  -0.00642   2.03914
   A172       2.33623  -0.00002  -0.00467  -0.00102  -0.00568   2.33056
   A173       2.75452  -0.00002  -0.00479  -0.00113  -0.00592   2.74859
   A174       2.14940  -0.00001  -0.00226  -0.00054  -0.00280   2.14660
   A175       2.13192  -0.00001  -0.00438   0.00049  -0.00390   2.12803
   A176       2.23959   0.00001   0.00257   0.00129   0.00386   2.24346
   A177       2.02629   0.00001   0.00216   0.00111   0.00327   2.02955
   A178       1.61549   0.00001   0.00218   0.00112   0.00330   1.61879
   A179       1.36756   0.00001   0.00172   0.00104   0.00276   1.37032
   A180       2.12262   0.00000   0.00163   0.00075   0.00237   2.12499
   A181       1.97068  -0.00001  -0.00471  -0.00151  -0.00624   1.96444
   A182       2.33646  -0.00002  -0.00474  -0.00155  -0.00629   2.33017
   A183       2.65701  -0.00002  -0.00528  -0.00160  -0.00689   2.65012
   A184       2.29342  -0.00001  -0.00276  -0.00102  -0.00378   2.28964
   A185       2.35634  -0.00002  -0.00514   0.00016  -0.00498   2.35135
   A186       0.69071   0.00001   0.00012   0.00009   0.00021   0.69092
   A187       0.98126   0.00001   0.00022   0.00010   0.00033   0.98158
   A188       0.69881   0.00001   0.00023   0.00009   0.00032   0.69913
   A189       2.07091  -0.00001   0.00245   0.00023   0.00267   2.07358
   A190       1.70324   0.00000   0.00192   0.00028   0.00220   1.70543
   A191       1.36130   0.00000   0.00314   0.00035   0.00350   1.36480
   A192       1.06096   0.00001   0.00258   0.00035   0.00293   1.06389
   A193       1.61947   0.00000  -0.00024   0.00005  -0.00019   1.61928
   A194       1.39909   0.00001   0.00225  -0.00057   0.00169   1.40077
   A195       0.66669   0.00000   0.00025   0.00000   0.00026   0.66696
   A196       2.23641   0.00000   0.00065   0.00026   0.00091   2.23732
   A197       1.83964   0.00001   0.00099   0.00039   0.00137   1.84102
   A198       1.59988   0.00001   0.00311   0.00049   0.00361   1.60349
   A199       1.28663   0.00001   0.00221   0.00050   0.00272   1.28934
   A200       1.61354   0.00001  -0.00069   0.00013  -0.00056   1.61298
   A201       1.33857   0.00001   0.00112  -0.00028   0.00084   1.33942
   A202       0.70954   0.00000   0.00052   0.00007   0.00058   0.71013
   A203       2.63272   0.00000  -0.00022   0.00025   0.00001   2.63273
   A204       2.24016   0.00001   0.00067   0.00041   0.00107   2.24123
   A205       2.01012   0.00001   0.00320   0.00049   0.00370   2.01382
   A206       1.69691   0.00001   0.00235   0.00050   0.00286   1.69977
   A207       1.95513   0.00001  -0.00094   0.00016  -0.00077   1.95437
   A208       1.66569   0.00001   0.00025  -0.00005   0.00020   1.66589
   A209       0.83396   0.00000   0.00082   0.00002   0.00085   0.83481
   A210       2.70313   0.00000  -0.00271   0.00005  -0.00268   2.70046
   A211       2.37946   0.00000  -0.00008   0.00035   0.00026   2.37972
   A212       2.25499   0.00001   0.00327   0.00051   0.00379   2.25878
   A213       1.94492   0.00001   0.00230   0.00051   0.00283   1.94775
   A214       2.01312   0.00000  -0.00086   0.00013  -0.00072   2.01240
   A215       1.72957   0.00001  -0.00041   0.00014  -0.00026   1.72931
   A216       1.93155   0.00000  -0.00149   0.00016  -0.00133   1.93022
   A217       1.55573   0.00001  -0.00048   0.00035  -0.00014   1.55559
   A218       1.45848   0.00001   0.00215   0.00049   0.00265   1.46112
   A219       1.17512   0.00002   0.00094   0.00050   0.00145   1.17657
   A220       1.24591   0.00001  -0.00143   0.00010  -0.00133   1.24458
   A221       0.95739   0.00001  -0.00010  -0.00016  -0.00026   0.95713
   A222       0.71617  -0.00001  -0.00007  -0.00008  -0.00014   0.71603
   A223       1.00995  -0.00001  -0.00011  -0.00012  -0.00024   1.00972
   A224       0.70046   0.00000  -0.00085   0.00000  -0.00085   0.69961
   A225       0.98962  -0.00001  -0.00147   0.00010  -0.00139   0.98823
   A226       0.66100   0.00000  -0.00029  -0.00004  -0.00033   0.66067
   A227       0.66583   0.00000   0.00015   0.00001   0.00014   0.66597
   A228       0.70769   0.00000   0.00029   0.00005   0.00035   0.70804
   A229       0.83729   0.00001   0.00325  -0.00037   0.00287   0.84016
   A230       0.77902   0.00000  -0.00159  -0.00007  -0.00164   0.77738
   A231       0.78335   0.00001   0.00192  -0.00065   0.00128   0.78463
   A232       1.59443   0.00004  -0.00334  -0.00096  -0.00432   1.59011
   A233       1.86032  -0.00003   0.00254   0.00075   0.00328   1.86360
   A234       2.19065   0.00001  -0.00047   0.00020  -0.00026   2.19038
   A235       2.12936  -0.00001   0.00044  -0.00028   0.00010   2.12946
   A236       1.96283   0.00000   0.00006   0.00007   0.00018   1.96301
   A237       2.12201   0.00000   0.00009  -0.00016  -0.00011   2.12191
   A238       2.12661  -0.00001   0.00017   0.00002   0.00022   2.12683
   A239       2.03296   0.00001  -0.00051   0.00016  -0.00034   2.03262
   A240       1.85566  -0.00005   0.00204   0.00067   0.00270   1.85837
   A241       2.51633   0.00005  -0.00235  -0.00050  -0.00283   2.51350
   A242       1.91347  -0.00003   0.00052  -0.00041   0.00002   1.91349
   A243       1.91838  -0.00001   0.00011  -0.00011   0.00008   1.91846
   A244       1.91607   0.00002  -0.00090   0.00021  -0.00058   1.91549
   A245       1.90887   0.00001   0.00025   0.00008   0.00036   1.90922
   A246       1.90883   0.00000   0.00037  -0.00008   0.00028   1.90911
   A247       1.89810   0.00001  -0.00035   0.00032  -0.00015   1.89795
   A248       1.30504  -0.00001  -0.00344  -0.00245  -0.00589   1.29915
   A249       1.90631  -0.00002  -0.00025  -0.00003  -0.00023   1.90607
   A250       1.90924   0.00001   0.00020  -0.00009   0.00010   1.90934
   A251       1.92678   0.00001   0.00004   0.00008   0.00011   1.92689
   A252       1.91084  -0.00002   0.00019  -0.00011   0.00008   1.91092
   A253       1.89664   0.00001   0.00006   0.00016   0.00020   1.89684
   A254       1.91391   0.00001  -0.00024  -0.00001  -0.00026   1.91366
   A255       1.72025   0.00000  -0.00034  -0.00013  -0.00047   1.71978
   A256       1.77253   0.00000  -0.00014  -0.00001  -0.00015   1.77238
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   A259       1.96234   0.00001  -0.00003   0.00005   0.00002   1.96236
   A260       2.12351   0.00000  -0.00005   0.00003  -0.00002   2.12349
   A261       2.12434   0.00000  -0.00003   0.00000  -0.00003   2.12430
   A262       2.03516  -0.00001   0.00008  -0.00004   0.00005   2.03521
   A263       1.34688  -0.00002  -0.00421  -0.00095  -0.00516   1.34172
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   A266       1.90994  -0.00001  -0.00022   0.00007  -0.00015   1.90979
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   A268       1.91280   0.00000  -0.00012  -0.00001  -0.00013   1.91267
   A269       1.91117   0.00001   0.00025   0.00001   0.00026   1.91143
   A270       2.65714   0.00001   0.00150   0.00089   0.00238   2.65953
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   A272       1.92423   0.00000  -0.00007   0.00004  -0.00002   1.92421
   A273       1.91410   0.00000  -0.00033  -0.00013  -0.00047   1.91363
   A274       1.91381  -0.00001  -0.00008  -0.00003  -0.00011   1.91370
   A275       1.89400   0.00000   0.00039   0.00009   0.00047   1.89447
   A276       1.91091   0.00000  -0.00007   0.00003  -0.00004   1.91088
   A277       1.90658   0.00000   0.00017   0.00000   0.00018   1.90676
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   A279       1.75099   0.00001   0.00170   0.00010   0.00180   1.75280
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   A281       2.13028   0.00000   0.00000   0.00012   0.00012   2.13040
   A282       1.96264   0.00000   0.00026  -0.00003   0.00022   1.96286
   A283       2.12233   0.00001   0.00014   0.00008   0.00022   2.12255
   A284       2.11667   0.00000  -0.00068  -0.00009  -0.00077   2.11589
   A285       2.04074  -0.00001   0.00062   0.00007   0.00068   2.04142
   A286       2.69450   0.00001  -0.00038   0.00012  -0.00026   2.69424
   A287       1.66472  -0.00001   0.00061  -0.00012   0.00049   1.66521
   A288       1.92583   0.00001  -0.00008  -0.00001  -0.00009   1.92574
   A289       1.91549  -0.00001   0.00037  -0.00006   0.00032   1.91580
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   A291       1.89084   0.00001   0.00030  -0.00001   0.00029   1.89112
   A292       1.91242   0.00000  -0.00008   0.00002  -0.00006   1.91236
   A293       1.90633   0.00000  -0.00027   0.00007  -0.00020   1.90613
   A294       1.36634  -0.00005  -0.00631  -0.00152  -0.00783   1.35851
   A295       1.14282   0.00003   0.00403   0.00094   0.00498   1.14780
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   A297       1.90728  -0.00003  -0.00021  -0.00011  -0.00033   1.90695
   A298       1.90208   0.00002  -0.00011  -0.00014  -0.00028   1.90180
   A299       1.90965   0.00003  -0.00004   0.00001  -0.00003   1.90962
   A300       1.89737  -0.00001   0.00027   0.00016   0.00044   1.89780
   A301       1.91532  -0.00001  -0.00012  -0.00007  -0.00017   1.91515
   A302       1.71965   0.00005  -0.00332   0.00084  -0.00247   1.71718
   A303       1.75533   0.00006   0.00615  -0.00019   0.00595   1.76128
   A304       2.19367   0.00002  -0.00022  -0.00009  -0.00035   2.19332
   A305       2.12983  -0.00003   0.00023  -0.00016   0.00012   2.12994
   A306       1.95938   0.00001   0.00001   0.00025   0.00025   1.95963
   A307       2.12663  -0.00001  -0.00149   0.00017  -0.00127   2.12536
   A308       2.12061   0.00001  -0.00014   0.00004  -0.00010   2.12050
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   A310       1.40082   0.00004  -0.01318   0.00004  -0.01312   1.38770
   A311       2.95361   0.00000   0.01488   0.00014   0.01500   2.96861
   A312       1.90787   0.00003  -0.00073   0.00032  -0.00040   1.90746
   A313       1.92828   0.00000  -0.00066   0.00031  -0.00051   1.92776
   A314       1.90532   0.00002   0.00050  -0.00007   0.00038   1.90570
   A315       1.91428  -0.00004  -0.00113  -0.00028  -0.00135   1.91294
   A316       1.91285   0.00000  -0.00040  -0.00001  -0.00038   1.91247
   A317       1.89514   0.00000   0.00245  -0.00027   0.00228   1.89742
   A318       1.69413   0.00004   0.01357  -0.00197   0.01159   1.70572
   A319       1.91329   0.00001   0.00014   0.00003   0.00018   1.91347
   A320       1.91433   0.00003   0.00091   0.00002   0.00086   1.91519
   A321       1.92484  -0.00001  -0.00051   0.00016  -0.00034   1.92450
   A322       1.90447   0.00000   0.00016  -0.00011   0.00007   1.90454
   A323       1.91222  -0.00003  -0.00058  -0.00009  -0.00067   1.91155
   A324       1.89446  -0.00001  -0.00012   0.00000  -0.00010   1.89436
   A325       2.91991   0.00000   0.00108   0.00014   0.00123   2.92114
   A326       3.34698  -0.00001   0.00062  -0.00040   0.00020   3.34718
   A327       3.06477  -0.00001   0.00071  -0.00039   0.00031   3.06508
   A328       3.21895  -0.00001  -0.00368  -0.00246  -0.00614   3.21281
   A329       3.25805  -0.00001  -0.00396  -0.00094  -0.00490   3.25315
   A330       3.27599  -0.00002  -0.00635  -0.00151  -0.00786   3.26813
   A331       3.60636   0.00001   0.01299  -0.00206   0.01092   3.61727
   A332       3.22478  -0.00001  -0.00107  -0.00023  -0.00128   3.22350
   A333       3.04602  -0.00002  -0.00479  -0.00135  -0.00616   3.03987
   A334       2.98586  -0.00002  -0.00518  -0.00158  -0.00678   2.97908
   A335       3.23700   0.00000   0.00044  -0.00052  -0.00007   3.23693
   A336       3.07801   0.00000   0.00121   0.00044   0.00165   3.07967
   A337       3.09881   0.00001   0.00150   0.00045   0.00196   3.10077
   A338       3.03621  -0.00001  -0.00083   0.00002  -0.00081   3.03540
    D1        2.76170   0.00000   0.00020   0.00041   0.00063   2.76233
    D2       -1.35608  -0.00001  -0.00009  -0.00008  -0.00014  -1.35623
    D3        2.79474  -0.00002   0.00087   0.00093   0.00182   2.79656
    D4       -1.32304  -0.00002   0.00058   0.00044   0.00105  -1.32199
    D5        1.66046  -0.00001   0.00088   0.00063   0.00149   1.66196
    D6       -2.45732  -0.00001   0.00059   0.00013   0.00072  -2.45660
    D7        1.83594  -0.00001   0.00206   0.00124   0.00331   1.83925
    D8       -2.28185  -0.00001   0.00177   0.00075   0.00254  -2.27930
    D9        0.31340  -0.00001   0.00259   0.00135   0.00393   0.31733
   D10        2.47881  -0.00001   0.00230   0.00086   0.00316   2.48197
   D11        0.03585  -0.00001   0.00227   0.00129   0.00355   0.03940
   D12        2.20125  -0.00001   0.00198   0.00079   0.00278   2.20403
   D13       -0.43004  -0.00001   0.00194   0.00116   0.00310  -0.42694
   D14        1.73536  -0.00001   0.00165   0.00067   0.00233   1.73770
   D15       -0.55119   0.00000   0.00305   0.00158   0.00463  -0.54656
   D16        1.61421   0.00000   0.00276   0.00109   0.00386   1.61807
   D17        0.21655  -0.00001   0.00233   0.00142   0.00374   0.22029
   D18        2.38195  -0.00001   0.00204   0.00093   0.00297   2.38492
   D19        0.15639  -0.00001   0.00193   0.00119   0.00312   0.15951
   D20        2.32179  -0.00001   0.00165   0.00070   0.00235   2.32414
   D21        2.37903   0.00001   0.00462   0.00257   0.00719   2.38622
   D22       -1.73875   0.00001   0.00433   0.00208   0.00642  -1.73233
   D23        2.13145   0.00001   0.00516   0.00282   0.00798   2.13944
   D24       -1.98633   0.00001   0.00488   0.00233   0.00721  -1.97912
   D25        1.69121   0.00001   0.00471   0.00262   0.00733   1.69854
   D26       -2.42657   0.00001   0.00443   0.00213   0.00656  -2.42001
   D27        1.38413   0.00001   0.00448   0.00259   0.00704   1.39117
   D28       -2.73365   0.00000   0.00419   0.00209   0.00627  -2.72738
   D29        2.33278   0.00002   0.00715   0.00356   0.01071   2.34349
   D30       -1.78500   0.00002   0.00686   0.00307   0.00994  -1.77506
   D31       -1.82886   0.00000   0.00746   0.00263   0.01008  -1.81878
   D32        0.33654   0.00000   0.00717   0.00214   0.00931   0.34585
   D33       -2.16115   0.00001   0.00667   0.00259   0.00924  -2.15190
   D34        0.00425   0.00001   0.00638   0.00209   0.00847   0.01273
   D35       -2.54461   0.00001   0.00737   0.00269   0.01007  -2.53455
   D36       -0.37921   0.00001   0.00708   0.00220   0.00930  -0.36991
   D37       -2.82947   0.00001   0.00711   0.00277   0.00990  -2.81958
   D38       -0.66407   0.00001   0.00683   0.00228   0.00913  -0.65494
   D39       -2.15286   0.00001   0.00427   0.00224   0.00650  -2.14635
   D40        0.01255   0.00001   0.00398   0.00175   0.00573   0.01828
   D41       -2.40465   0.00002   0.00824   0.00150   0.00970  -2.39494
   D42       -0.23924   0.00002   0.00795   0.00101   0.00893  -0.23031
   D43        1.25332  -0.00001  -0.00114  -0.00130  -0.00241   1.25091
   D44       -1.97731  -0.00001   0.00020   0.00041   0.00065  -1.97667
   D45        2.44067  -0.00001   0.00007  -0.00074  -0.00065   2.44002
   D46       -0.78996  -0.00001   0.00141   0.00098   0.00241  -0.78755
   D47        2.92120  -0.00002   0.00101  -0.00026   0.00077   2.92197
   D48       -0.30943  -0.00001   0.00235   0.00146   0.00383  -0.30560
   D49        2.82173   0.00001   0.00358   0.00052   0.00409   2.82583
   D50       -0.40890   0.00001   0.00492   0.00223   0.00715  -0.40175
   D51        2.02367  -0.00001   0.00336   0.00045   0.00383   2.02749
   D52       -1.20697   0.00000   0.00470   0.00217   0.00689  -1.20008
   D53        1.15627  -0.00002   0.00205   0.00012   0.00217   1.15843
   D54       -2.07437  -0.00002   0.00339   0.00183   0.00523  -2.06914
   D55        1.01543  -0.00001   0.00263   0.00029   0.00292   1.01835
   D56       -2.21520   0.00000   0.00397   0.00200   0.00597  -2.20923
   D57        2.00584   0.00000   0.00208   0.00013   0.00222   2.00805
   D58       -1.22480   0.00000   0.00342   0.00184   0.00527  -1.21952
   D59        1.81860  -0.00001   0.00123  -0.00027   0.00097   1.81957
   D60       -1.41204  -0.00001   0.00257   0.00145   0.00403  -1.40801
   D61       -2.31285   0.00000   0.00362   0.00103   0.00465  -2.30820
   D62        0.73970   0.00000   0.00496   0.00274   0.00771   0.74741
   D63       -2.44538   0.00000   0.00323   0.00080   0.00404  -2.44134
   D64        0.60717   0.00000   0.00457   0.00252   0.00710   0.61427
   D65       -2.84729   0.00000   0.00313   0.00075   0.00388  -2.84340
   D66        0.20526   0.00000   0.00447   0.00247   0.00694   0.21221
   D67       -3.02503   0.00001   0.00282   0.00076   0.00357  -3.02145
   D68        0.02752   0.00001   0.00416   0.00248   0.00663   0.03416
   D69       -2.16817   0.00000   0.00346   0.00071   0.00417  -2.16400
   D70        0.88438   0.00001   0.00480   0.00243   0.00723   0.89161
   D71       -0.21149   0.00000   0.00338   0.00102   0.00440  -0.20708
   D72        2.84106   0.00000   0.00472   0.00273   0.00746   2.84853
   D73       -0.60698   0.00001   0.00383   0.00115   0.00498  -0.60200
   D74        2.44557   0.00001   0.00517   0.00287   0.00804   2.45361
   D75       -0.80404   0.00001   0.00672   0.00144   0.00816  -0.79587
   D76        2.24851   0.00002   0.00806   0.00315   0.01122   2.25974
   D77       -1.13893   0.00002   0.00603   0.00148   0.00751  -1.13142
   D78        1.91362   0.00002   0.00737   0.00320   0.01057   1.92419
   D79       -0.86747   0.00001   0.00193   0.00078   0.00271  -0.86475
   D80        2.18509   0.00001   0.00327   0.00250   0.00577   2.19086
   D81       -1.17506   0.00001   0.00307   0.00047   0.00352  -1.17154
   D82        1.87749   0.00001   0.00441   0.00219   0.00658   1.88407
   D83       -1.52307  -0.00001  -0.00148  -0.00095  -0.00244  -1.52551
   D84       -2.60263  -0.00001  -0.00105  -0.00051  -0.00156  -2.60419
   D85       -2.93023  -0.00002  -0.00078  -0.00019  -0.00097  -2.93120
   D86        0.72939   0.00000   0.00089   0.00017   0.00105   0.73044
   D87        0.30976   0.00000   0.00085   0.00015   0.00099   0.31075
   D88       -0.06514  -0.00001   0.00093   0.00006   0.00099  -0.06416
   D89       -0.39788   0.00000   0.00121   0.00021   0.00142  -0.39647
   D90        0.18601   0.00000   0.00071   0.00021   0.00091   0.18691
   D91       -0.04879   0.00000   0.00041   0.00004   0.00044  -0.04834
   D92        2.39144   0.00001   0.00212   0.00093   0.00305   2.39449
   D93        2.04363   0.00000   0.00208   0.00089   0.00296   2.04659
   D94        1.64915   0.00000   0.00231   0.00103   0.00333   1.65248
   D95        1.36215   0.00000   0.00203   0.00100   0.00302   1.36517
   D96        2.04657   0.00000   0.00203   0.00078   0.00280   2.04937
   D97       -1.96809   0.00000   0.00561   0.00176   0.00741  -1.96068
   D98       -2.47805   0.00002   0.00430   0.00201   0.00633  -2.47172
   D99       -2.70497   0.00002   0.00540   0.00163   0.00703  -2.69794
   D100      -3.02101   0.00002   0.00385   0.00152   0.00538  -3.01563
   D101      -2.90819   0.00003   0.00159   0.00217   0.00376  -2.90443
   D102       2.84673   0.00002  -0.00025   0.00191   0.00164   2.84838
   D103      -2.88604   0.00001  -0.00037   0.00005  -0.00031  -2.88635
   D104       1.20954   0.00002  -0.00024   0.00017  -0.00007   1.20947
   D105       2.83520   0.00000  -0.00145  -0.00043  -0.00188   2.83332
   D106       0.64759   0.00000  -0.00133  -0.00031  -0.00164   0.64595
   D107       2.34669  -0.00001  -0.00289  -0.00078  -0.00367   2.34302
   D108       0.15908  -0.00001  -0.00277  -0.00067  -0.00343   0.15565
   D109       1.77564   0.00000  -0.00146  -0.00036  -0.00184   1.77379
   D110      -0.41197   0.00000  -0.00133  -0.00024  -0.00160  -0.41358
   D111       2.60961   0.00001  -0.00059   0.00002  -0.00057   2.60904
   D112       0.42200   0.00001  -0.00047   0.00014  -0.00033   0.42166
   D113       2.27470   0.00001  -0.00097  -0.00020  -0.00118   2.27352
   D114       0.08709   0.00001  -0.00084  -0.00008  -0.00094   0.08615
   D115      -1.61023   0.00000  -0.00005  -0.00008  -0.00012  -1.61035
   D116       2.48534   0.00000   0.00008   0.00004   0.00012   2.48546
   D117      -1.77289   0.00000  -0.00116  -0.00037  -0.00152  -1.77442
   D118       2.32268   0.00000  -0.00104  -0.00025  -0.00128   2.32140
   D119      -2.73478   0.00001   0.00005  -0.00007  -0.00002  -2.73480
   D120       1.36080   0.00001   0.00017   0.00004   0.00022   1.36102
   D121      -2.70141   0.00001   0.00050   0.00027   0.00077  -2.70064
   D122       1.39416   0.00001   0.00062   0.00039   0.00101   1.39517
   D123       1.35486   0.00000  -0.00234  -0.00101  -0.00335   1.35151
   D124      -0.83275   0.00000  -0.00222  -0.00089  -0.00311  -0.83586
   D125       1.32102   0.00000  -0.00224  -0.00093  -0.00316   1.31786
   D126      -0.86659   0.00000  -0.00211  -0.00081  -0.00293  -0.86951
   D127       1.67517   0.00000  -0.00224  -0.00092  -0.00316   1.67201
   D128      -0.51244   0.00000  -0.00212  -0.00081  -0.00292  -0.51536
   D129       1.79886   0.00000  -0.00185  -0.00100  -0.00284   1.79602
   D130      -0.38875   0.00000  -0.00172  -0.00088  -0.00260  -0.39135
   D131       0.91918   0.00000  -0.00267  -0.00091  -0.00357   0.91561
   D132      -1.26843   0.00000  -0.00254  -0.00079  -0.00334  -1.27176
   D133      -0.91330   0.00000  -0.00235  -0.00130  -0.00366  -0.91696
   D134      -3.10092   0.00000  -0.00222  -0.00118  -0.00342  -3.10433
   D135      -0.47715  -0.00001  -0.00369  -0.00152  -0.00520  -0.48235
   D136      -2.66476  -0.00001  -0.00357  -0.00141  -0.00496  -2.66973
   D137      -0.14361  -0.00002  -0.00717  -0.00194  -0.00912  -0.15272
   D138      -2.33122  -0.00002  -0.00705  -0.00183  -0.00888  -2.34010
   D139       0.25719  -0.00002  -0.00614  -0.00175  -0.00789   0.24930
   D140      -1.93042  -0.00001  -0.00601  -0.00164  -0.00765  -1.93807
   D141      -0.28241  -0.00001  -0.00179  -0.00109  -0.00288  -0.28529
   D142      -2.47002  -0.00001  -0.00167  -0.00097  -0.00264  -2.47266
   D143      -0.02425  -0.00001  -0.00382  -0.00054  -0.00435  -0.02860
   D144      -2.21186  -0.00001  -0.00369  -0.00042  -0.00411  -2.21597
   D145      -2.47609   0.00002   0.00281   0.00132   0.00413  -2.47196
   D146      -2.72424   0.00001   0.00170   0.00094   0.00264  -2.72160
   D147      -2.40986   0.00002   0.00069   0.00035   0.00104  -2.40882
   D148       3.01224   0.00001   0.00130   0.00084   0.00214   3.01438
   D149       2.63686   0.00001   0.00095   0.00073   0.00167   2.63853
   D150       1.51835   0.00000   0.00184   0.00061   0.00245   1.52081
   D151       2.61892   0.00000   0.00161   0.00060   0.00222   2.62114
   D152       2.99065   0.00000   0.00197   0.00086   0.00283   2.99348
   D153       1.23007  -0.00001  -0.00200  -0.00102  -0.00302   1.22706
   D154       1.27448   0.00000  -0.00076  -0.00043  -0.00119   1.27330
   D155       1.65866   0.00000  -0.00025  -0.00017  -0.00041   1.65825
   D156       1.72887   0.00000   0.00052  -0.00004   0.00048   1.72935
   D157       0.91701   0.00000  -0.00074  -0.00025  -0.00099   0.91603
   D158      -0.98799   0.00000   0.00216  -0.00019   0.00196  -0.98604
   D159      -0.65723  -0.00001   0.00106  -0.00035   0.00071  -0.65652
   D160      -0.67215  -0.00001  -0.00183  -0.00053  -0.00236  -0.67450
   D161      -0.35980  -0.00002  -0.00138  -0.00080  -0.00219  -0.36199
   D162      -0.28307  -0.00001   0.00144  -0.00013   0.00131  -0.28176
   D163       0.00043  -0.00001   0.00110  -0.00018   0.00093   0.00136
   D164      -1.27422   0.00001  -0.00263  -0.00032  -0.00295  -1.27717
   D165       1.67805   0.00001  -0.00052  -0.00023  -0.00076   1.67730
   D166      -1.64450   0.00001  -0.00326  -0.00053  -0.00380  -1.64830
   D167       1.30777   0.00001  -0.00115  -0.00044  -0.00160   1.30617
   D168      -1.72179   0.00000  -0.00432  -0.00092  -0.00524  -1.72703
   D169       1.23048   0.00001  -0.00221  -0.00083  -0.00304   1.22744
   D170      -1.96668  -0.00001  -0.00469  -0.00078  -0.00547  -1.97216
   D171       0.98559  -0.00001  -0.00259  -0.00069  -0.00328   0.98231
   D172      -1.99452   0.00001  -0.00308  -0.00034  -0.00342  -1.99794
   D173       0.95775   0.00001  -0.00097  -0.00025  -0.00122   0.95653
   D174      -2.29684   0.00001  -0.00325  -0.00043  -0.00368  -2.30053
   D175       0.65543   0.00001  -0.00114  -0.00034  -0.00149   0.65395
   D176       1.97756   0.00000  -0.00248  -0.00050  -0.00297   1.97459
   D177      -1.35335   0.00000  -0.00037  -0.00041  -0.00078  -1.35413
   D178       0.83197   0.00000  -0.00277  -0.00051  -0.00328   0.82869
   D179      -2.49894   0.00000  -0.00067  -0.00042  -0.00109  -2.50003
   D180       0.36694   0.00000  -0.00347  -0.00068  -0.00415   0.36279
   D181      -2.96397   0.00000  -0.00136  -0.00060  -0.00195  -2.96592
   D182      -3.08748   0.00000  -0.00436  -0.00102  -0.00539  -3.09287
   D183      -0.13521   0.00000  -0.00225  -0.00093  -0.00319  -0.13840
   D184       2.92763   0.00000  -0.00426  -0.00105  -0.00531   2.92232
   D185      -0.40328   0.00000  -0.00215  -0.00096  -0.00311  -0.40639
   D186       3.07461   0.00000  -0.00389  -0.00088  -0.00476   3.06984
   D187      -0.25630   0.00000  -0.00178  -0.00079  -0.00257  -0.25887
   D188       2.97642   0.00000  -0.00325  -0.00081  -0.00406   2.97236
   D189      -0.35449   0.00000  -0.00114  -0.00072  -0.00186  -0.35635
   D190       2.48417   0.00000  -0.00488  -0.00119  -0.00607   2.47809
   D191      -0.84674   0.00000  -0.00277  -0.00110  -0.00388  -0.85062
   D192       0.30989   0.00000  -0.00008  -0.00100  -0.00111   0.30878
   D193      -3.02102   0.00000   0.00203  -0.00091   0.00109  -3.01994
   D194       0.64528  -0.00001  -0.00274  -0.00168  -0.00442   0.64086
   D195      -2.68563  -0.00001  -0.00063  -0.00159  -0.00222  -2.68785
   D196       0.47762  -0.00001  -0.00764  -0.00246  -0.01008   0.46754
   D197      -2.85329  -0.00001  -0.00553  -0.00237  -0.00788  -2.86117
   D198       1.11777  -0.00001  -0.00348  -0.00152  -0.00500   1.11276
   D199      -2.21314  -0.00001  -0.00137  -0.00143  -0.00281  -2.21595
   D200       1.46257  -0.00002  -0.00559  -0.00127  -0.00682   1.45575
   D201      -1.86834  -0.00001  -0.00348  -0.00118  -0.00462  -1.87296
   D202       1.62186  -0.00001  -0.00210  -0.00094  -0.00305   1.61881
   D203      -0.59259  -0.00002  -0.00235  -0.00104  -0.00339  -0.59598
   D204       1.68443  -0.00001  -0.00039  -0.00016  -0.00055   1.68389
   D205      -0.53002  -0.00001  -0.00063  -0.00026  -0.00089  -0.53091
   D206       1.35471  -0.00001   0.00076   0.00056   0.00133   1.35604
   D207      -0.85974  -0.00001   0.00052   0.00047   0.00099  -0.85876
   D208       1.17529   0.00001   0.00147   0.00082   0.00228   1.17757
   D209      -1.03916   0.00001   0.00123   0.00072   0.00194  -1.03722
   D210       2.11183   0.00000   0.00025   0.00015   0.00041   2.11224
   D211      -0.10262  -0.00001   0.00000   0.00005   0.00006  -0.10255
   D212       2.22608   0.00000   0.00038   0.00023   0.00061   2.22669
   D213       0.01163   0.00000   0.00014   0.00013   0.00027   0.01189
   D214      -2.23789   0.00000   0.00002   0.00025   0.00027  -2.23761
   D215       1.83085   0.00000  -0.00022   0.00015  -0.00007   1.83078
   D216      -2.41543   0.00001   0.00088   0.00059   0.00147  -2.41396
   D217       1.65330   0.00001   0.00064   0.00049   0.00113   1.65444
   D218      -2.04568   0.00001   0.00259   0.00134   0.00393  -2.04176
   D219       2.02305   0.00001   0.00234   0.00124   0.00359   2.02664
   D220      -2.20258   0.00001   0.00311   0.00193   0.00502  -2.19756
   D221       1.86615   0.00001   0.00287   0.00183   0.00468   1.87083
   D222      -2.90289   0.00001   0.00060   0.00032   0.00092  -2.90197
   D223       1.16585   0.00000   0.00035   0.00022   0.00058   1.16643
   D224       3.04774   0.00000   0.00043   0.00018   0.00063   3.04837
   D225       0.83329   0.00000   0.00019   0.00008   0.00029   0.83358
   D226      -2.71336   0.00000  -0.00014   0.00009  -0.00006  -2.71342
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   D228      -2.65848   0.00000  -0.00055   0.00015  -0.00041  -2.65889
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   D230      -1.56635  -0.00001   0.00049   0.00006   0.00055  -1.56580
   D231       2.50239  -0.00001   0.00024  -0.00003   0.00021   2.50259
   D232      -0.02061   0.00001  -0.00480   0.00011  -0.00470  -0.02531
   D233      -2.23506   0.00000  -0.00504   0.00001  -0.00504  -2.24011
   D234      -0.17875   0.00000  -0.00256   0.00030  -0.00227  -0.18102
   D235      -2.39320   0.00000  -0.00281   0.00020  -0.00261  -2.39581
   D236       0.07943   0.00000   0.00002   0.00040   0.00041   0.07984
   D237      -2.13502   0.00000  -0.00022   0.00030   0.00007  -2.13495
   D238      -0.01655   0.00001  -0.00113   0.00042  -0.00069  -0.01724
   D239      -2.23100   0.00001  -0.00137   0.00032  -0.00103  -2.23203
   D240      -0.58361   0.00000  -0.00150   0.00024  -0.00126  -0.58487
   D241      -2.79806   0.00000  -0.00175   0.00014  -0.00160  -2.79966
   D242      -0.77349   0.00000  -0.00286   0.00072  -0.00215  -0.77564
   D243      -2.98794   0.00000  -0.00311   0.00062  -0.00249  -2.99043
   D244      -2.91952  -0.00001  -0.00264  -0.00096  -0.00359  -2.92312
   D245      -0.00298  -0.00001  -0.00106  -0.00086  -0.00191  -0.00489
   D246      -3.11757  -0.00001  -0.00124  -0.00027  -0.00152  -3.11909
   D247      -0.20103  -0.00001   0.00034  -0.00017   0.00017  -0.20086
   D248       2.77601  -0.00001  -0.00098   0.00007  -0.00092   2.77509
   D249      -0.59063  -0.00001   0.00060   0.00017   0.00077  -0.58986
   D250       2.53320   0.00000  -0.00065   0.00022  -0.00044   2.53276
   D251      -0.83345   0.00000   0.00093   0.00032   0.00125  -0.83220
   D252      -2.89770   0.00000   0.00009   0.00045   0.00055  -2.89715
   D253       0.01884   0.00000   0.00168   0.00056   0.00224   0.02108
   D254      -3.07348   0.00000   0.00019   0.00054   0.00072  -3.07276
   D255      -0.15693   0.00001   0.00177   0.00065   0.00240  -0.15453
   D256      -0.65935   0.00000  -0.00116  -0.00008  -0.00124  -0.66059
   D257       2.25719   0.00000   0.00042   0.00002   0.00044   2.25764
   D258      -0.91390   0.00000  -0.00051   0.00019  -0.00031  -0.91421
   D259       2.00265   0.00000   0.00108   0.00030   0.00137   2.00402
   D260      -0.75832   0.00000   0.00031   0.00048   0.00080  -0.75752
   D261       2.15822   0.00000   0.00190   0.00059   0.00248   2.16070
   D262      -0.96761   0.00000  -0.00018   0.00039   0.00021  -0.96740
   D263       1.94893   0.00000   0.00140   0.00049   0.00190   1.95082
   D264      -1.32209   0.00001  -0.00034   0.00020  -0.00014  -1.32223
   D265       1.59445   0.00001   0.00124   0.00030   0.00155   1.59600
   D266      -1.56398   0.00000   0.00007   0.00037   0.00046  -1.56352
   D267       1.35257   0.00001   0.00166   0.00047   0.00214   1.35471
   D268       1.98003   0.00000  -0.00118  -0.00011  -0.00129   1.97875
   D269      -1.38661   0.00000   0.00040   0.00000   0.00040  -1.38621
   D270       0.86005  -0.00001  -0.00108  -0.00015  -0.00123   0.85882
   D271      -2.50659   0.00000   0.00050  -0.00005   0.00045  -2.50614
   D272       1.08282   0.00001  -0.01112  -0.00047  -0.01158   1.07124
   D273      -2.28383   0.00001  -0.00953  -0.00037  -0.00990  -2.29372
   D274       1.17483   0.00000  -0.00509  -0.00008  -0.00518   1.16965
   D275      -2.19181   0.00000  -0.00351   0.00002  -0.00350  -2.19531
   D276       1.60170   0.00000  -0.00186   0.00011  -0.00177   1.59993
   D277      -1.76495   0.00000  -0.00028   0.00021  -0.00008  -1.76503
   D278       1.59180   0.00001  -0.00273   0.00007  -0.00265   1.58915
   D279      -1.77484   0.00001  -0.00115   0.00018  -0.00096  -1.77581
   D280       0.82837   0.00000  -0.00226  -0.00004  -0.00231   0.82606
   D281      -2.53828   0.00000  -0.00068   0.00006  -0.00062  -2.53890
   D282       0.80397  -0.00001  -0.00470   0.00073  -0.00398   0.79999
   D283      -2.56267  -0.00001  -0.00312   0.00083  -0.00229  -2.56496
   D284       1.59063  -0.00002  -0.00137  -0.00095  -0.00232   1.58831
   D285      -2.62826  -0.00002   0.00053  -0.00054  -0.00001  -2.62827
   D286       1.63895  -0.00001   0.00161   0.00035   0.00196   1.64091
   D287      -2.57994  -0.00001   0.00351   0.00076   0.00427  -2.57567
   D288       1.31804  -0.00001   0.00291   0.00108   0.00400   1.32204
   D289      -2.90085   0.00000   0.00481   0.00150   0.00631  -2.89453
   D290       1.21667   0.00001   0.00360   0.00124   0.00483   1.22150
   D291      -3.00222   0.00001   0.00550   0.00165   0.00714  -2.99508
   D292       2.03011   0.00000   0.00284   0.00093   0.00378   2.03389
   D293      -2.18878   0.00000   0.00474   0.00134   0.00609  -2.18268
   D294       2.01054   0.00000   0.00291   0.00095   0.00385   2.01439
   D295      -2.20834   0.00000   0.00481   0.00136   0.00616  -2.20218
   D296      -2.31503   0.00001   0.00227   0.00094   0.00321  -2.31182
   D297      -0.25073   0.00001   0.00417   0.00135   0.00552  -0.24521
   D298      -2.29888   0.00001   0.00327   0.00126   0.00453  -2.29434
   D299      -0.23458   0.00001   0.00517   0.00167   0.00684  -0.22773
   D300      -1.91400   0.00001   0.00384   0.00143   0.00527  -1.90872
   D301       0.15030   0.00001   0.00574   0.00185   0.00758   0.15789
   D302      -1.85981   0.00000   0.00367   0.00146   0.00514  -1.85467
   D303       0.20449   0.00000   0.00557   0.00187   0.00745   0.21194
   D304      -2.64883   0.00001   0.00388   0.00140   0.00529  -2.64354
   D305      -0.58453   0.00001   0.00578   0.00181   0.00760  -0.57693
   D306      -2.78206   0.00001   0.00491   0.00184   0.00676  -2.77530
   D307      -0.71776   0.00002   0.00681   0.00226   0.00907  -0.70869
   D308       1.51971  -0.00001   0.00253   0.00058   0.00311   1.52282
   D309      -2.69918  -0.00001   0.00443   0.00099   0.00542  -2.69376
   D310       2.62010   0.00000   0.00219   0.00062   0.00281   2.62291
   D311      -1.59879   0.00000   0.00410   0.00103   0.00512  -1.59367
   D312       3.00322   0.00000   0.00181   0.00066   0.00248   3.00570
   D313      -1.21567   0.00000   0.00371   0.00108   0.00479  -1.21087
   D314      -0.40620   0.00000  -0.00295   0.00041  -0.00254  -0.40874
   D315       1.65810   0.00001  -0.00105   0.00082  -0.00023   1.65787
   D316      -0.27622   0.00000  -0.00102   0.00059  -0.00043  -0.27665
   D317       1.78808   0.00000   0.00088   0.00100   0.00188   1.78996
   D318       0.14118   0.00000   0.00017   0.00061   0.00077   0.14195
   D319       2.20548   0.00000   0.00207   0.00103   0.00308   2.20856
   D320       0.27996   0.00000  -0.00042   0.00059   0.00018   0.28015
   D321       2.34426   0.00001   0.00148   0.00101   0.00250   2.34676
   D322      -0.55249   0.00000   0.00101   0.00073   0.00174  -0.55075
   D323       1.51181   0.00000   0.00291   0.00114   0.00405   1.51586
   D324      -0.58979  -0.00001  -0.00222   0.00168  -0.00054  -0.59033
   D325       1.47451   0.00000  -0.00032   0.00209   0.00177   1.47628
   D326       0.01474   0.00001   0.00567   0.00067   0.00633   0.02106
   D327       2.19637   0.00001   0.00680   0.00071   0.00749   2.20386
   D328       0.33478   0.00001   0.00429   0.00014   0.00442   0.33920
   D329       2.51641   0.00001   0.00542   0.00018   0.00559   2.52200
   D330       0.69424   0.00001   0.00521   0.00021   0.00543   0.69967
   D331       2.87586   0.00001   0.00634   0.00025   0.00660   2.88246
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   D334       0.30491   0.00000   0.00141  -0.00099   0.00039   0.30530
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   D336       0.68535  -0.00001   0.00282  -0.00106   0.00174   0.68709
   D337       2.86698  -0.00001   0.00395  -0.00101   0.00291   2.86989
   D338      -2.39224   0.00000   0.00506   0.00047   0.00554  -2.38670
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   D411       2.81424   0.00001   0.00113   0.00192   0.00305   2.81729
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   D423      -1.66319   0.00001  -0.00008   0.00160   0.00154  -1.66166
   D424      -1.99922   0.00000  -0.00083   0.00163   0.00080  -1.99842
   D425       1.35557   0.00001  -0.00630   0.00115  -0.00517   1.35040
   D426       2.49978  -0.00001  -0.00602   0.00097  -0.00505   2.49473
   D427       2.95320  -0.00001  -0.00370   0.00100  -0.00272   2.95048
   D428      -3.05181  -0.00004   0.00291  -0.00017   0.00274  -3.04907
   D429       0.02683  -0.00004  -0.00193   0.00037  -0.00156   0.02527
   D430       0.06185  -0.00002   0.00409  -0.00057   0.00351   0.06535
   D431       3.14048  -0.00002  -0.00076  -0.00003  -0.00079   3.13969
   D432      -0.13144   0.00004  -0.00437  -0.00014  -0.00452  -0.13596
   D433       1.96734   0.00002  -0.00366  -0.00038  -0.00401   1.96332
   D434      -2.22872   0.00004  -0.00459   0.00008  -0.00451  -2.23324
   D435       3.06990   0.00003   0.00021  -0.00066  -0.00046   3.06944
   D436      -1.11451   0.00002   0.00092  -0.00089   0.00004  -1.11447
   D437       0.97261   0.00004  -0.00001  -0.00043  -0.00046   0.97216
   D438      -2.35000   0.00000   0.00119  -0.00170  -0.00052  -2.35051
   D439      -0.25882  -0.00002   0.00139  -0.00190  -0.00050  -0.25933
   D440       1.84877  -0.00001   0.00125  -0.00192  -0.00069   1.84809
   D441       0.73168   0.00000  -0.00340  -0.00119  -0.00460   0.72708
   D442       2.82285  -0.00002  -0.00320  -0.00139  -0.00458   2.81827
   D443      -1.35274   0.00000  -0.00335  -0.00141  -0.00477  -1.35750
   D444      -0.00540   0.00000   0.00077  -0.00018   0.00059  -0.00481
   D445       3.11555   0.00001   0.00058  -0.00023   0.00035   3.11590
   D446      -3.12572   0.00000   0.00088   0.00006   0.00094  -3.12478
   D447      -0.00477   0.00000   0.00069   0.00000   0.00070  -0.00407
   D448       2.43235   0.00000   0.00329   0.00117   0.00446   2.43681
   D449      -1.76564   0.00001   0.00349   0.00113   0.00461  -1.76103
   D450       0.34216   0.00001   0.00382   0.00119   0.00501   0.34717
   D451      -0.68961   0.00000   0.00347   0.00122   0.00469  -0.68492
   D452       1.39559   0.00000   0.00366   0.00118   0.00484   1.40044
   D453      -2.77979   0.00001   0.00400   0.00124   0.00524  -2.77455
   D454       2.06249  -0.00001  -0.00180  -0.00100  -0.00280   2.05969
   D455      -2.13622   0.00000  -0.00158  -0.00094  -0.00252  -2.13875
   D456      -0.04271  -0.00001  -0.00162  -0.00104  -0.00267  -0.04538
   D457      -1.09876  -0.00001  -0.00198  -0.00105  -0.00303  -1.10178
   D458       0.98572   0.00000  -0.00176  -0.00099  -0.00275   0.98297
   D459       3.07923   0.00000  -0.00180  -0.00109  -0.00289   3.07634
   D460      -3.07996  -0.00002  -0.00101  -0.00021  -0.00122  -3.08118
   D461      -0.03025  -0.00001  -0.00005   0.00060   0.00055  -0.02970
   D462       0.07530  -0.00001  -0.00080  -0.00059  -0.00139   0.07391
   D463       3.12501   0.00000   0.00017   0.00022   0.00039   3.12540
   D464       1.93506   0.00000  -0.00055   0.00043  -0.00011   1.93495
   D465      -2.26569   0.00001   0.00000   0.00038   0.00038  -2.26531
   D466      -0.17231   0.00000  -0.00025   0.00042   0.00018  -0.17213
   D467      -1.11846  -0.00001  -0.00141  -0.00033  -0.00174  -1.12021
   D468       0.96397   0.00000  -0.00086  -0.00039  -0.00125   0.96272
   D469       3.05735  -0.00001  -0.00111  -0.00035  -0.00146   3.05590
   D470      -1.65038   0.00001   0.00631   0.00097   0.00727  -1.64310
   D471       0.45402   0.00003   0.00625   0.00101   0.00726   0.46127
   D472       2.54691   0.00001   0.00592   0.00077   0.00669   2.55360
   D473       1.40345   0.00002   0.00721   0.00175   0.00895   1.41240
   D474      -2.77534   0.00003   0.00715   0.00179   0.00894  -2.76640
   D475      -0.68245   0.00002   0.00682   0.00155   0.00837  -0.67408
   D476       0.00091  -0.00001   0.00222   0.00023   0.00245   0.00336
   D477      -3.09166  -0.00004   0.00040  -0.00042  -0.00003  -3.09170
   D478       3.11609   0.00007   0.00318   0.00005   0.00324   3.11932
   D479       0.02351   0.00004   0.00135  -0.00060   0.00075   0.02426
   D480      -0.26976   0.00000  -0.01364  -0.00138  -0.01501  -0.28477
   D481       1.83836  -0.00004  -0.01593  -0.00133  -0.01727   1.82109
   D482      -2.36195  -0.00003  -0.01301  -0.00152  -0.01454  -2.37649
   D483       2.82510   0.00002  -0.01194  -0.00076  -0.01268   2.81242
   D484      -1.34997  -0.00001  -0.01422  -0.00071  -0.01493  -1.36490
   D485       0.73290   0.00000  -0.01131  -0.00089  -0.01221   0.72070
   D486       0.02006  -0.00001  -0.01057   0.00299  -0.00758   0.01248
   D487       2.11080   0.00002  -0.00972   0.00288  -0.00686   2.10395
   D488      -2.08682   0.00002  -0.00961   0.00299  -0.00664  -2.09346
   D489      -3.07497  -0.00003  -0.01224   0.00236  -0.00987  -3.08484
   D490      -0.98423   0.00000  -0.01140   0.00225  -0.00915  -0.99337
   D491       1.10134   0.00000  -0.01129   0.00236  -0.00894   1.09240
         Item               Value     Threshold  Converged?
 Maximum Force            0.000073     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.037739     0.001800     NO 
 RMS     Displacement     0.004687     0.001200     NO 
 Predicted change in Energy=-5.600664D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:37:23 2016, MaxMem=  2952790016 cpu:         5.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.853599   -0.608993    1.686882
      2          6           0       -2.126116    1.062562   -1.363522
      3          8           0       -2.656953    0.068269   -1.888414
      4          7           0       -0.835247    1.137460   -0.938733
      5          1           0       -2.691431    1.995673   -1.167640
      6          6           0       -0.329207    2.312726   -0.228081
      7          1           0       -1.088364    3.107110   -0.240720
      8          1           0       -0.093930    2.047968    0.815678
      9          1           0        0.588983    2.676535   -0.716691
     10          6           0        0.096184    0.017176   -1.093895
     11          1           0        0.651412   -0.125292   -0.153637
     12          1           0       -0.467048   -0.895439   -1.328501
     13          1           0        0.817034    0.225732   -1.901515
     14          6           0       -1.980182   -4.033760    2.610996
     15          8           0       -2.125837   -3.888813    3.836854
     16          7           0       -2.908522   -3.730594    1.663402
     17          1           0       -1.037638   -4.416923    2.172243
     18          6           0       -4.222058   -3.187892    2.019347
     19          1           0       -4.490621   -2.402749    1.294932
     20          1           0       -4.991412   -3.977354    1.988249
     21          1           0       -4.178191   -2.758082    3.028571
     22          6           0       -2.636540   -3.905687    0.236368
     23          1           0       -3.333639   -4.641323   -0.197459
     24          1           0       -2.770438   -2.944463   -0.287181
     25          1           0       -1.603320   -4.253279    0.097067
     26          6           0        1.529498    0.378114    2.621691
     27          8           0        1.358180    1.394665    3.315559
     28          7           0        1.153674   -0.884367    2.964145
     29          1           0        2.008797    0.421102    1.623792
     30          6           0        1.463965   -2.034091    2.114146
     31          1           0        2.213693   -2.679882    2.601507
     32          1           0        0.552076   -2.628594    1.944000
     33          1           0        1.852453   -1.683528    1.148215
     34          6           0        0.518669   -1.164258    4.254387
     35          1           0        1.270573   -1.472572    5.000886
     36          1           0        0.002953   -0.262245    4.607239
     37          1           0       -0.207028   -1.980598    4.125980
     38          6           0       -4.570969    1.283050    2.897331
     39          8           0       -4.806846    1.939752    1.869198
     40          7           0       -3.477649    1.424326    3.696080
     41          1           0       -5.247395    0.477748    3.249100
     42          6           0       -2.433250    2.410239    3.406982
     43          1           0       -2.532823    2.749854    2.368021
     44          1           0       -2.518837    3.273292    4.088176
     45          1           0       -1.446004    1.944059    3.549732
     46          6           0       -3.260488    0.557850    4.854955
     47          1           0       -4.079831   -0.170584    4.930047
     48          1           0       -2.305913    0.017452    4.742102
     49          1           0       -3.216045    1.158780    5.778026
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489029   0.000000
     3  O    3.726500   1.243350   0.000000
     4  N    3.313757   1.361028   2.315962   0.000000
     5  H    3.954053   1.108443   2.058055   2.057753   0.000000
     6  C    3.811469   2.465971   3.634927   1.463678   2.561912
     7  H    4.255661   2.552996   3.796041   2.104950   2.159698
     8  H    3.303766   3.138426   4.219054   2.111050   3.268532
     9  H    4.747427   3.224137   4.325747   2.108669   3.380539
    10  C    3.453471   2.470657   2.865944   1.465153   3.419165
    11  H    3.145879   3.254148   3.740615   2.102634   4.086722
    12  H    3.331232   2.566612   2.457217   2.102419   3.651340
    13  H    4.550345   3.106743   3.477578   2.118544   3.997573
    14  C    3.549513   6.464565   6.126121   6.375968   7.151086
    15  O    3.931122   7.180532   6.979920   7.052324   7.745452
    16  N    3.295119   5.722654   5.206730   5.896399   6.391561
    17  H    3.924500   6.611443   6.263231   6.369482   7.416956
    18  C    3.517222   5.822640   5.321910   6.239342   6.274476
    19  H    3.213265   4.966553   4.427410   5.557346   5.352332
    20  H    4.613301   6.696644   6.070031   7.211258   7.136287
    21  H    3.438377   6.172424   5.871896   6.487682   6.512819
    22  C    3.685808   5.244395   4.506378   5.482595   6.066325
    23  H    4.690516   5.945765   5.049503   6.339225   6.738204
    24  H    3.192482   4.198799   3.413704   4.564162   5.018604
    25  H    3.983839   5.537581   4.871144   5.542822   6.467833
    26  C    3.646038   5.451046   6.161447   4.341111   5.898455
    27  O    4.121015   5.843322   6.705368   4.793357   6.071213
    28  N    3.278860   5.768558   6.243054   4.824526   6.336490
    29  H    3.997897   5.141305   5.850582   3.894649   5.688894
    30  C    3.635890   5.879806   6.117383   4.966405   6.654054
    31  H    4.654889   6.968593   7.171814   6.033360   7.754194
    32  H    3.151535   5.633564   5.679642   4.941454   6.448758
    33  H    3.896102   5.447829   5.711799   4.420074   6.288607
    34  C    3.539500   6.596553   7.024080   5.839476   7.048991
    35  H    4.635607   7.646574   8.078497   6.820983   8.110297
    36  H    3.477860   6.475959   7.026938   5.780965   6.760705
    37  H    3.246798   6.563410   6.809766   5.980657   7.071449
    38  C    3.525494   4.917397   5.295517   5.356510   4.534808
    39  O    3.905253   4.290251   4.716369   4.929680   3.701417
    40  N    3.287674   5.249485   5.805085   5.342853   4.959874
    41  H    3.890936   5.600060   5.768198   6.118841   5.323968
    42  C    3.522854   4.966716   5.794488   4.801960   4.600618
    43  H    3.493873   4.115431   5.032251   4.051691   3.618679
    44  H    4.613121   5.895979   6.783132   5.715423   5.411626
    45  H    3.186599   5.037822   5.878640   4.601080   4.879277
    46  C    3.657533   6.341214   6.788002   6.307500   6.217942
    47  H    3.958084   6.704227   6.969436   6.832341   6.618316
    48  H    3.151411   6.197034   6.639997   5.974040   6.243959
    49  H    4.660337   7.224881   7.763768   7.126254   7.015546
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098875   0.000000
     8  H    1.102219   1.796291   0.000000
     9  H    1.101894   1.795950   1.791542   0.000000
    10  C    2.490008   3.417420   2.794052   2.730810   0.000000
    11  H    2.628894   3.671897   2.493624   2.858524   1.101209
    12  H    3.394443   4.194007   3.660651   3.774720   1.097787
    13  H    2.910291   3.832900   3.396106   2.731712   1.102439
    14  C    7.145906   7.740779   6.615779   7.918471   5.869207
    15  O    7.629592   8.163695   6.964304   8.438532   6.671313
    16  N    6.837564   7.327541   6.483235   7.677805   5.538657
    17  H    7.179945   7.901648   6.672756   7.830005   5.622672
    18  C    7.103662   7.386135   6.775285   8.063717   6.213851
    19  H    6.470907   6.655233   6.274509   7.459768   5.709756
    20  H    8.137160   8.389977   7.852691   9.095699   7.165159
    21  H    7.150772   7.391601   6.684025   8.141744   6.554926
    22  C    6.648922   7.197485   6.499729   7.391750   4.962482
    23  H    7.575377   8.067301   7.501251   8.319111   5.853963
    24  H    5.796649   6.281168   5.770993   6.562455   4.199954
    25  H    6.696380   7.386109   6.519230   7.313734   4.747998
    26  C    3.913913   4.742786   2.947136   4.160782   3.998780
    27  O    4.030819   4.643831   2.963921   4.300453   4.788882
    28  N    4.755066   5.588362   3.843308   5.152423   4.289377
    29  H    3.531847   4.503716   2.778705   3.546930   3.347696
    30  C    5.253220   6.204171   4.558098   5.565001   4.045992
    31  H    6.276866   7.243695   5.555796   6.507021   5.041226
    32  H    5.469117   6.353137   4.853932   5.935068   4.054225
    33  H    4.756456   5.790316   4.221735   4.907584   3.317217
    34  C    5.735925   6.405711   4.745354   6.282376   5.493486
    35  H    6.650555   7.349321   5.636669   7.097207   6.383172
    36  H    5.488272   6.003852   4.440991   6.109345   5.708739
    37  H    6.115996   6.762366   5.215384   6.765647   5.597332
    38  C    5.368517   5.030219   4.996225   6.451982   6.270138
    39  O    4.958521   4.431882   4.830444   6.028652   6.042840
    40  N    5.108912   4.902942   4.487227   6.130096   6.139724
    41  H    6.296547   6.032407   5.911458   7.390905   6.901273
    42  C    4.201213   3.949693   3.509774   5.119520   5.690578
    43  H    3.433184   3.003268   2.974998   4.389362   5.134595
    44  H    4.934293   4.562150   4.253332   5.753383   6.655410
    45  H    3.956643   3.980969   3.051876   4.783310   5.258753
    46  C    6.124480   6.097767   5.344465   7.095809   6.851889
    47  H    6.843997   6.813882   6.143078   7.860634   7.332273
    48  H    5.820513   5.988065   4.942941   6.726780   6.311016
    49  H    6.763043   6.674453   5.929853   7.678748   7.713457
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795658   0.000000
    13  H    1.790455   1.798398   0.000000
    14  C    5.463022   5.259114   6.806647   0.000000
    15  O    6.148270   6.196190   7.649762   1.242962   0.000000
    16  N    5.382654   4.790656   6.499301   1.360757   2.315496
    17  H    5.165337   4.998163   6.448996   1.108020   2.057671
    18  C    6.152405   5.528429   7.240057   2.468107   2.861602
    19  H    5.807381   5.034235   6.730333   3.270248   3.776500
    20  H    7.160134   6.400695   8.156852   3.075467   3.411260
    21  H    6.354769   6.018811   7.626346   2.575454   2.478715
    22  C    5.025348   4.027047   5.793646   2.466996   3.636565
    23  H    6.023046   4.850592   6.619675   3.176224   4.277937
    24  H    4.435608   3.253990   5.052342   3.195388   4.279600
    25  H    4.710302   3.820791   5.469367   2.551480   3.793662
    26  C    2.954132   4.605665   4.581509   5.637606   5.748457
    27  O    3.852935   5.490294   5.373742   6.411620   6.350218
    28  N    3.247927   4.588428   5.002029   4.456955   4.532495
    29  H    2.302236   4.071747   3.726427   6.060720   6.369318
    30  C    3.073532   4.108182   4.653048   4.013438   4.392538
    31  H    4.069087   5.080903   5.538091   4.407002   4.671095
    32  H    3.267487   3.840794   4.796391   2.971819   3.513157
    33  H    2.359113   3.483574   3.744091   4.727834   5.283830
    34  C    4.530755   5.675609   6.317928   4.144760   3.819810
    35  H    5.363546   6.588896   7.122715   4.778982   4.327678
    36  H    4.806786   5.987892   6.577593   4.705544   4.275189
    37  H    4.742805   5.567454   6.499791   3.107205   2.721527
    38  C    6.210080   6.280576   7.292285   5.921371   5.797373
    39  O    6.176475   6.090766   6.984566   6.650048   6.710563
    40  N    5.854125   6.300115   7.156396   5.762858   5.484220
    41  H    6.836534   6.759570   7.960505   5.606743   5.399670
    42  C    5.349959   6.100677   6.596708   6.508763   6.321183
    43  H    4.976401   5.587473   5.985121   6.810424   6.811389
    44  H    6.292362   7.136423   7.502803   7.474304   7.177281
    45  H    4.732473   5.728722   6.147363   6.074611   5.879372
    46  C    6.391841   6.939055   7.898505   5.268531   4.700721
    47  H    6.944822   7.262715   8.414665   4.970981   4.340322
    48  H    5.721399   6.408355   7.343965   4.589122   4.013827
    49  H    7.196574   7.891738   8.724199   6.206441   5.516783
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056739   0.000000
    18  C    1.465128   3.416786   0.000000
    19  H    2.098089   4.092635   1.101522   0.000000
    20  H    2.122462   3.982386   1.102779   1.791887   0.000000
    21  H    2.102742   3.653508   1.097814   1.797046   1.797281
    22  C    1.463236   2.562316   2.491608   2.610938   2.935923
    23  H    2.114937   3.307183   2.795707   2.928661   2.822479
    24  H    2.107568   3.349552   2.736152   2.399076   3.343228
    25  H    2.104794   2.157111   3.418771   3.632609   3.889970
    26  C    6.123383   5.457524   6.794087   6.762789   7.867249
    27  O    6.870418   6.389184   7.336147   7.260287   8.422449
    28  N    5.127804   4.231774   5.924303   6.078636   6.948454
    29  H    6.435695   5.743522   7.211439   7.093992   8.275395
    30  C    4.711680   3.455326   5.802680   6.021969   6.742700
    31  H    5.312356   3.711164   6.481966   6.836064   7.346636
    32  H    3.642647   2.403624   4.807374   5.089311   5.705380
    33  H    5.207953   4.107640   6.318359   6.385404   7.266758
    34  C    5.004490   4.163802   5.618273   5.948548   6.588617
    35  H    5.805368   4.690231   6.480810   6.913080   7.386634
    36  H    5.401140   4.926803   5.753897   5.978741   6.753134
    37  H    4.052757   3.231513   4.692113   5.151913   5.607784
    38  C    5.424291   6.745359   4.569673   4.019857   5.354908
    39  O    5.983210   7.396356   5.163067   4.391708   5.921181
    40  N    5.570358   6.511216   4.963682   4.630133   5.863984
    41  H    5.069014   6.545188   4.000066   3.562126   4.637155
    42  C    6.401233   7.076896   6.038580   5.644323   7.025549
    43  H    6.529459   7.323701   6.183197   5.615498   7.172462
    44  H    7.421980   8.062515   6.994849   6.626280   7.943247
    45  H    6.156207   6.521222   6.032038   5.766156   7.076105
    46  C    5.357298   6.073415   4.795401   4.790839   5.637568
    47  H    4.971579   5.906930   4.194825   4.285483   4.896596
    48  H    4.887676   5.279809   4.621606   4.744819   5.545636
    49  H    6.397708   6.988247   5.833806   5.865762   6.625270
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389702   0.000000
    23  H    3.829770   1.102412   0.000000
    24  H    3.607037   1.102717   1.790133   0.000000
    25  H    4.178431   1.098985   1.797589   1.795219   0.000000
    26  C    6.525257   6.434018   7.536076   6.163644   6.134987
    27  O    6.926693   7.316621   8.413537   6.989511   7.143419
    28  N    5.651879   5.561912   6.651799   5.496706   5.212554
    29  H    7.096438   6.498093   7.581999   6.149791   6.101484
    30  C    5.761445   4.882936   5.929433   4.952304   4.289713
    31  H    6.406612   5.533647   6.515700   5.766809   4.828808
    32  H    4.854738   3.835915   4.871930   4.014603   3.270549
    33  H    6.407735   5.091219   6.120043   5.002143   4.432933
    34  C    5.109148   5.797867   6.837338   5.883298   5.597159
    35  H    5.935620   6.624667   7.632990   6.816149   6.327640
    36  H    5.118922   6.272649   7.307140   6.232283   6.232986
    37  H    4.192722   4.973689   5.962153   5.193852   4.831857
    38  C    4.062295   6.143755   6.797566   5.590608   6.877452
    39  O    4.879447   6.445582   7.053507   5.714235   7.194210
    40  N    4.292885   6.409846   7.209195   5.954229   6.978625
    41  H    3.415029   5.925169   6.461124   5.509277   6.752570
    42  C    5.468049   7.070011   7.970397   6.514091   7.486441
    43  H    5.786270   6.989344   7.864635   6.287432   7.420584
    44  H    6.344579   8.147884   9.037239   7.607071   8.568336
    45  H    5.463202   6.827539   7.808448   6.354028   7.095959
    46  C    3.895287   6.453203   7.250078   6.240826   6.966395
    47  H    3.212543   6.169660   6.843656   6.052139   6.794056
    48  H    3.761011   5.983476   6.867290   5.855119   6.348947
    49  H    4.881294   7.529584   8.328352   7.336341   8.010278
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242650   0.000000
    28  N    1.361021   2.315017   0.000000
    29  H    1.107872   2.057475   2.057191   0.000000
    30  C    2.465893   3.634688   1.463094   2.562277   0.000000
    31  H    3.133667   4.224182   2.116370   3.257915   1.103023
    32  H    3.233405   4.326383   2.108303   3.394880   1.101782
    33  H    2.554565   3.796968   2.103463   2.163350   1.098564
    34  C    2.463002   2.852063   1.465023   3.413777   2.496161
    35  H    3.025334   3.327019   2.123196   3.941540   2.947197
    36  H    2.585111   2.500086   2.100227   3.659417   3.389617
    37  H    3.292708   3.807763   2.098354   4.115700   2.615827
    38  C    6.173377   5.944929   6.121576   6.757084   6.930889
    39  O    6.569186   6.355834   6.685982   6.987096   7.427954
    40  N    5.226891   4.850868   5.226371   5.949952   6.235601
    41  H    6.806603   6.669241   6.550591   7.436206   7.255330
    42  C    4.522122   3.926155   4.890456   5.183456   6.050767
    43  H    4.710833   4.227797   5.210872   5.157836   6.238982
    44  H    5.188607   4.376921   5.660116   5.891320   6.922992
    45  H    3.488130   2.867075   3.886030   4.238431   5.133664
    46  C    5.288075   4.939848   5.013978   6.182595   6.045713
    47  H    6.090496   5.884602   5.635941   6.953618   6.491196
    48  H    4.397339   4.166211   3.992887   5.338868   5.032590
    49  H    5.752570   5.200281   5.584516   6.715714   6.746920
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787714   0.000000
    33  H    1.798687   1.793712   0.000000
    34  C    2.811091   2.735559   3.420077   0.000000
    35  H    2.846769   3.346218   3.902072   1.103485   0.000000
    36  H    3.841263   3.604717   4.171996   1.097313   1.796305
    37  H    2.944980   2.399411   3.632740   1.099789   1.790770
    38  C    7.862823   6.515779   7.288370   5.808213   6.792791
    39  O    8.435951   7.042259   7.615394   6.609472   7.641103
    40  N    7.101690   5.977845   6.675355   4.794063   5.713157
    41  H    8.127598   6.707198   7.713149   6.079004   7.025412
    42  C    6.939179   6.036748   6.342571   4.712638   5.597773
    43  H    7.215675   6.214829   6.354010   5.309450   6.263121
    44  H    7.749020   6.990011   7.233368   5.380141   6.141327
    45  H    5.972717   5.242122   5.459532   3.744077   4.599892
    46  C    6.747414   5.758709   6.701184   4.196233   4.967336
    47  H    7.164295   6.034306   7.196058   4.752905   5.506997
    48  H    5.681954   4.795731   5.753379   3.100414   3.883091
    49  H    7.369373   6.575917   7.429908   4.654683   5.259059
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796787   0.000000
    38  C    5.121766   5.586139   0.000000
    39  O    5.956495   6.451398   1.242560   0.000000
    40  N    3.973579   4.740811   1.361362   2.317310   0.000000
    41  H    5.473417   5.676062   1.108965   2.058075   2.056162
    42  C    3.810233   4.975186   2.469847   2.867070   1.465050
    43  H    4.529570   5.556700   2.566267   2.465009   2.100824
    44  H    4.373657   5.740144   3.096841   3.455022   2.119371
    45  H    2.843515   4.155726   3.260056   3.757588   2.102171
    46  C    3.374014   4.037170   2.464867   3.635330   1.463192
    47  H    4.096552   4.349859   2.546802   3.788254   2.104527
    48  H    2.329653   2.962622   3.183614   4.266554   2.108654
    49  H    3.708370   4.651788   3.185854   4.291795   2.115053
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417435   0.000000
    43  H    3.647968   1.097585   0.000000
    44  H    3.995515   1.102819   1.798087   0.000000
    45  H    4.085465   1.101071   1.796363   1.791020   0.000000
    46  C    2.555971   2.492448   3.393998   2.917468   2.630121
    47  H    2.146887   3.419299   4.181647   3.873723   3.648839
    48  H    3.330652   2.743026   3.626813   3.327679   2.423428
    49  H    3.314461   2.792986   3.824454   2.795148   2.952119
                   46         47         48         49
    46  C    0.000000
    47  H    1.098898   0.000000
    48  H    1.102715   1.793730   0.000000
    49  H    1.102339   1.797888   1.790002   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2140730      0.1926482      0.1853124
 Leave Link  202 at Mon Nov 14 01:37:23 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.4539574629 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843257539 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.2696317090 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4035
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     219
 GePol: Fraction of low-weight points (<1% of avg)   =       5.43%
 GePol: Cavity surface area                          =    465.856 Ang**2
 GePol: Cavity volume                                =    457.819 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039728370 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.2656588720 Hartrees.
 Leave Link  301 at Mon Nov 14 01:37:23 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37510.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.48D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:37:24 2016, MaxMem=  2952790016 cpu:        15.2
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:37:25 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000697    0.003313    0.000627
         Rot=    1.000000   -0.000269   -0.000004   -0.000240 Ang=  -0.04 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50892514254    
 Leave Link  401 at Mon Nov 14 01:37:31 2016, MaxMem=  2952790016 cpu:        79.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48843675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.05D-14 for   3953.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.17D-14 for   1840    998.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.09D-14 for   2317.
 Iteration    1 A^-1*A deviation from orthogonality  is 9.81D-11 for   1784   1362.
 E= -1013.45099259634    
 DIIS: error= 3.89D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45099259634     IErMin= 1 ErrMin= 3.89D-04
 ErrMax= 3.89D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-04 BMatP= 1.54D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.89D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.49D-05 MaxDP=2.60D-03              OVMax= 3.08D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.49D-05    CP:  1.00D+00
 E= -1013.45124076166     Delta-E=       -0.000248165318 Rises=F Damp=F
 DIIS: error= 4.62D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45124076166     IErMin= 2 ErrMin= 4.62D-05
 ErrMax= 4.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-06 BMatP= 1.54D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.213D-01 0.979D+00
 Coeff:      0.213D-01 0.979D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.22D-05 MaxDP=6.63D-04 DE=-2.48D-04 OVMax= 1.09D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.20D-05    CP:  1.00D+00  9.70D-01
 E= -1013.45123385667     Delta-E=        0.000006904996 Rises=F Damp=F
 DIIS: error= 1.42D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45124076166     IErMin= 2 ErrMin= 4.62D-05
 ErrMax= 1.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-05 BMatP= 2.48D-06
 IDIUse=3 WtCom= 4.56D-01 WtEn= 5.44D-01
 Coeff-Com:  0.267D-02 0.690D+00 0.307D+00
 Coeff-En:   0.000D+00 0.768D+00 0.232D+00
 Coeff:      0.122D-02 0.732D+00 0.266D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.98D-06 MaxDP=5.19D-04 DE= 6.90D-06 OVMax= 8.70D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.68D-06    CP:  1.00D+00  9.79D-01  4.15D-01
 E= -1013.45124275497     Delta-E=       -0.000008898299 Rises=F Damp=F
 DIIS: error= 2.00D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45124275497     IErMin= 4 ErrMin= 2.00D-05
 ErrMax= 2.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-07 BMatP= 2.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.944D-05 0.304D+00 0.124D+00 0.573D+00
 Coeff:      0.944D-05 0.304D+00 0.124D+00 0.573D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.89D-06 MaxDP=1.29D-04 DE=-8.90D-06 OVMax= 1.31D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  1.00D+00  9.82D-01  3.77D-01  6.45D-01
 E= -1013.45124286521     Delta-E=       -0.000000110248 Rises=F Damp=F
 DIIS: error= 1.68D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45124286521     IErMin= 5 ErrMin= 1.68D-05
 ErrMax= 1.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.31D-08 BMatP= 2.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.332D-04 0.147D+00 0.571D-01 0.405D+00 0.391D+00
 Coeff:     -0.332D-04 0.147D+00 0.571D-01 0.405D+00 0.391D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.09D-07 MaxDP=5.99D-05 DE=-1.10D-07 OVMax= 5.94D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.77D-07    CP:  1.00D+00  9.82D-01  3.70D-01  6.83D-01  5.52D-01
 E= -1013.45124294519     Delta-E=       -0.000000079981 Rises=F Damp=F
 DIIS: error= 6.56D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45124294519     IErMin= 6 ErrMin= 6.56D-07
 ErrMax= 6.56D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.72D-10 BMatP= 9.31D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.222D-04 0.463D-01 0.180D-01 0.136D+00 0.149D+00 0.651D+00
 Coeff:     -0.222D-04 0.463D-01 0.180D-01 0.136D+00 0.149D+00 0.651D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.63D-08 MaxDP=4.42D-06 DE=-8.00D-08 OVMax= 6.11D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.71D-08    CP:  1.00D+00  9.82D-01  3.71D-01  6.87D-01  5.55D-01
                    CP:  9.18D-01
 E= -1013.45124294548     Delta-E=       -0.000000000281 Rises=F Damp=F
 DIIS: error= 4.14D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45124294548     IErMin= 7 ErrMin= 4.14D-07
 ErrMax= 4.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-10 BMatP= 4.72D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.125D-04 0.975D-02 0.386D-02 0.317D-01 0.395D-01 0.366D+00
 Coeff-Com:  0.549D+00
 Coeff:     -0.125D-04 0.975D-02 0.386D-02 0.317D-01 0.395D-01 0.366D+00
 Coeff:      0.549D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.09D-08 MaxDP=1.85D-06 DE=-2.81D-10 OVMax= 2.09D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.92D-08    CP:  1.00D+00  9.82D-01  3.71D-01  6.88D-01  5.55D-01
                    CP:  9.25D-01  7.02D-01
 E= -1013.45124294566     Delta-E=       -0.000000000184 Rises=F Damp=F
 DIIS: error= 5.31D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45124294566     IErMin= 8 ErrMin= 5.31D-08
 ErrMax= 5.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.13D-12 BMatP= 1.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.524D-05 0.254D-02 0.108D-02 0.870D-02 0.119D-01 0.139D+00
 Coeff-Com:  0.254D+00 0.583D+00
 Coeff:     -0.524D-05 0.254D-02 0.108D-02 0.870D-02 0.119D-01 0.139D+00
 Coeff:      0.254D+00 0.583D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.75D-09 MaxDP=5.84D-07 DE=-1.84D-10 OVMax= 9.38D-07

 Error on total polarization charges =  0.04294
 SCF Done:  E(RB97D) =  -1013.45124295     A.U. after    8 cycles
            NFock=  8  Conv=0.98D-08     -V/T= 2.0213
 KE= 9.923504386241D+02 PE=-6.028013294480D+03 EE= 2.173945954038D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.49
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:39:09 2016, MaxMem=  2952790016 cpu:      1112.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37510.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 01:39:17 2016, MaxMem=  2952790016 cpu:        97.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:39:17 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:39:54 2016, MaxMem=  2952790016 cpu:       439.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.28664430D+00-2.70121116D+00 3.29274666D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000276105   -0.000180307    0.000096169
      2        6           0.000082200    0.000008601   -0.000021253
      3        8           0.000020467    0.000097851   -0.000070651
      4        7           0.000043138    0.000076092    0.000228272
      5        1          -0.000001488    0.000016283    0.000065994
      6        6           0.000145796   -0.000085741   -0.000016491
      7        1          -0.000026053    0.000000821    0.000072755
      8        1           0.000013058   -0.000000631   -0.000043371
      9        1          -0.000037053    0.000099805   -0.000024328
     10        6          -0.000030653    0.000110290   -0.000057269
     11        1           0.000000850    0.000013893   -0.000011791
     12        1          -0.000005907    0.000028067    0.000026885
     13        1           0.000016029    0.000029304    0.000011837
     14        6          -0.000030630    0.000013811   -0.000022194
     15        8          -0.000012280   -0.000030165   -0.000028694
     16        7          -0.000034555    0.000018729   -0.000010298
     17        1          -0.000006892   -0.000010230   -0.000027823
     18        6           0.000004809    0.000030611   -0.000013685
     19        1          -0.000019938    0.000026200   -0.000009578
     20        1          -0.000007916    0.000001442   -0.000044956
     21        1          -0.000030260   -0.000014315   -0.000026058
     22        6          -0.000032436    0.000002638    0.000007401
     23        1           0.000005262    0.000028971   -0.000058570
     24        1          -0.000029658    0.000039132   -0.000023239
     25        1           0.000006708    0.000022621   -0.000034644
     26        6          -0.000016154   -0.000016379    0.000030434
     27        8          -0.000002714   -0.000021289    0.000035828
     28        7           0.000025687    0.000029391   -0.000010405
     29        1          -0.000004845   -0.000003464    0.000018219
     30        6           0.000012071    0.000007665   -0.000005243
     31        1          -0.000000995   -0.000014198   -0.000008751
     32        1           0.000018722    0.000016608    0.000022699
     33        1          -0.000010274    0.000011449    0.000004579
     34        6           0.000004296   -0.000077471    0.000025819
     35        1          -0.000019221   -0.000018070    0.000003294
     36        1          -0.000038602   -0.000034400   -0.000006823
     37        1          -0.000002545   -0.000022903   -0.000008353
     38        6          -0.000045179   -0.000059042    0.000009158
     39        8          -0.000047669    0.000032686   -0.000033974
     40        7          -0.000031014   -0.000113325   -0.000113744
     41        1          -0.000042291    0.000032578   -0.000023979
     42        6          -0.000186325   -0.000000287   -0.000060473
     43        1           0.000024511   -0.000006423    0.000057125
     44        1           0.000136869   -0.000008846    0.000043034
     45        1          -0.000013586   -0.000020529    0.000052138
     46        6          -0.000056882    0.000051252    0.000022878
     47        1          -0.000021078   -0.000032807   -0.000011061
     48        1           0.000024762   -0.000041874   -0.000020609
     49        1          -0.000016249   -0.000034097    0.000013788
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000276105 RMS     0.000054223
 Leave Link  716 at Mon Nov 14 01:39:54 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000082179 RMS     0.000012719
 Search for a local minimum.
 Step number  31 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .12719D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   23   24   25   26   27
                                                     28   29   30   31
 DE= -8.23D-06 DEPred=-5.60D-06 R= 1.47D+00
 TightC=F SS=  1.41D+00  RLast= 1.28D-01 DXNew= 2.2445D+00 3.8461D-01
 Trust test= 1.47D+00 RLast= 1.28D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00027   0.00072   0.00119   0.00161   0.00250
     Eigenvalues ---    0.00352   0.00382   0.00444   0.00510   0.00619
     Eigenvalues ---    0.00685   0.00708   0.00777   0.00815   0.00878
     Eigenvalues ---    0.00911   0.01023   0.01025   0.01117   0.01195
     Eigenvalues ---    0.01236   0.01282   0.01331   0.01345   0.01512
     Eigenvalues ---    0.01557   0.01582   0.01629   0.01705   0.01782
     Eigenvalues ---    0.01798   0.01873   0.01879   0.01949   0.01988
     Eigenvalues ---    0.02113   0.02144   0.02257   0.02364   0.02423
     Eigenvalues ---    0.02640   0.02685   0.03019   0.03081   0.03634
     Eigenvalues ---    0.04017   0.04381   0.04438   0.04761   0.04899
     Eigenvalues ---    0.05467   0.05657   0.05964   0.06157   0.06357
     Eigenvalues ---    0.06548   0.06761   0.07168   0.07352   0.07501
     Eigenvalues ---    0.07791   0.07962   0.08024   0.08222   0.08232
     Eigenvalues ---    0.08302   0.08443   0.08576   0.08738   0.08831
     Eigenvalues ---    0.08885   0.09093   0.09326   0.09648   0.09850
     Eigenvalues ---    0.09869   0.10006   0.10206   0.10245   0.10397
     Eigenvalues ---    0.10503   0.10592   0.10615   0.10646   0.11251
     Eigenvalues ---    0.11320   0.11369   0.11625   0.12148   0.13261
     Eigenvalues ---    0.13497   0.14317   0.14569   0.15183   0.15322
     Eigenvalues ---    0.15631   0.16409   0.22039   0.23167   0.23833
     Eigenvalues ---    0.24124   0.24457   0.25429   0.25812   0.26693
     Eigenvalues ---    0.27018   0.27795   0.28628   0.29295   0.29713
     Eigenvalues ---    0.29871   0.30026   0.32725   0.32732   0.32821
     Eigenvalues ---    0.32827   0.33301   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33427   0.33451   0.33488   0.33689
     Eigenvalues ---    0.33793   0.33830   0.33842   0.33916   0.33950
     Eigenvalues ---    0.34001   0.34017   0.34184   0.37294   0.39357
     Eigenvalues ---    0.40583   0.41390   0.85936   0.85988   0.86087
     Eigenvalues ---    0.87417
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    31   30   29   28   27
 RFO step:  Lambda=-5.46268376D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  9.24D-06 SmlDif=  1.00D-05
 RMS Error=  0.7085518840D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.49676   -0.64033    0.06866    0.20444   -0.12953
 Iteration  1 RMS(Cart)=  0.00214997 RMS(Int)=  0.00001233
 Iteration  2 RMS(Cart)=  0.00000554 RMS(Int)=  0.00000391
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000391
 ITry= 1 IFail=0 DXMaxC= 1.59D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59331  -0.00001  -0.00167   0.00138  -0.00030   6.59301
    R2        6.26209   0.00001   0.00047   0.00054   0.00100   6.26310
    R3        7.20263  -0.00001   0.00163   0.00401   0.00564   7.20827
    R4        6.24321   0.00001   0.00213   0.00514   0.00727   6.25048
    R5        6.52611   0.00004  -0.00199  -0.00141  -0.00340   6.52271
    R6        5.94485   0.00003   0.00041   0.00186   0.00227   5.94712
    R7        6.70761   0.00001  -0.00004  -0.00061  -0.00065   6.70695
    R8        6.22687   0.00000   0.00024  -0.00018   0.00006   6.22693
    R9        6.64659   0.00001  -0.00059   0.00039  -0.00020   6.64638
   R10        6.07219   0.00000   0.00297   0.00099   0.00396   6.07615
   R11        6.96517  -0.00001   0.00125  -0.00051   0.00074   6.96590
   R12        6.03292  -0.00001   0.00238   0.00001   0.00239   6.03531
   R13        6.89001  -0.00002  -0.00074  -0.00057  -0.00130   6.88871
   R14        6.19615   0.00001  -0.00088  -0.00004  -0.00093   6.19522
   R15        6.87084   0.00001  -0.00026  -0.00014  -0.00041   6.87043
   R16        5.95554   0.00000  -0.00006   0.00031   0.00025   5.95578
   R17        6.68869   0.00002  -0.00313  -0.00022  -0.00336   6.68533
   R18        6.66222   0.00006   0.00297   0.00048   0.00345   6.66567
   R19        6.21280  -0.00002   0.00006  -0.00026  -0.00021   6.21260
   R20        6.65723  -0.00002  -0.00384   0.00183  -0.00201   6.65522
   R21        6.02180  -0.00002   0.00331  -0.00109   0.00222   6.02402
   R22        6.91174  -0.00001   0.00259  -0.00143   0.00115   6.91289
   R23        5.95530  -0.00002  -0.00073  -0.00063  -0.00135   5.95395
   R24        2.34959  -0.00002   0.00005   0.00000   0.00004   2.34964
   R25        2.57197   0.00000   0.00006  -0.00007  -0.00001   2.57196
   R26        2.09465   0.00001  -0.00002   0.00000  -0.00002   2.09463
   R27        2.76595  -0.00008   0.00018  -0.00009   0.00011   2.76606
   R28        2.76874  -0.00004   0.00022  -0.00006   0.00017   2.76891
   R29        2.07657   0.00002  -0.00006   0.00006   0.00000   2.07657
   R30        2.08289  -0.00004   0.00001  -0.00005  -0.00003   2.08286
   R31        2.08228   0.00001  -0.00003   0.00002  -0.00001   2.08227
   R32        2.08098   0.00001   0.00004   0.00006   0.00010   2.08108
   R33        2.07452   0.00000   0.00001   0.00004   0.00005   2.07456
   R34        2.08331   0.00000  -0.00002   0.00001  -0.00001   2.08329
   R35        2.34886   0.00000   0.00003   0.00001   0.00004   2.34889
   R36        2.57146   0.00000  -0.00006   0.00000  -0.00004   2.57141
   R37        2.09385   0.00000   0.00002   0.00001   0.00002   2.09388
   R38        2.76869  -0.00001   0.00005   0.00001   0.00006   2.76875
   R39        2.76512   0.00000   0.00000   0.00002   0.00003   2.76515
   R40        2.08158   0.00000  -0.00003   0.00001  -0.00002   2.08156
   R41        2.08395   0.00000  -0.00001   0.00001   0.00000   2.08395
   R42        2.07457   0.00000   0.00000   0.00000  -0.00001   2.07456
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08383   0.00001  -0.00004   0.00001  -0.00004   2.08379
   R45        2.07678   0.00000   0.00000   0.00000   0.00001   2.07679
   R46        2.34827   0.00000   0.00005   0.00001   0.00006   2.34833
   R47        2.57196  -0.00002   0.00000  -0.00003  -0.00003   2.57192
   R48        2.09357   0.00000  -0.00001   0.00001   0.00000   2.09357
   R49        2.76485  -0.00001   0.00008  -0.00001   0.00007   2.76492
   R50        2.76849   0.00001   0.00010   0.00003   0.00014   2.76863
   R51        2.08441   0.00000  -0.00001   0.00000  -0.00001   2.08440
   R52        2.08207  -0.00001   0.00005  -0.00002   0.00003   2.08210
   R53        2.07598   0.00000   0.00002   0.00001   0.00003   2.07601
   R54        2.08528  -0.00001  -0.00002  -0.00002  -0.00004   2.08524
   R55        2.07362   0.00000   0.00001   0.00000   0.00001   2.07363
   R56        2.07830   0.00000  -0.00005   0.00001  -0.00005   2.07825
   R57        2.34810   0.00006  -0.00004   0.00002  -0.00002   2.34807
   R58        2.57260   0.00003  -0.00011   0.00008  -0.00003   2.57257
   R59        2.09564  -0.00001   0.00006  -0.00002   0.00005   2.09569
   R60        2.76854   0.00004   0.00008  -0.00005   0.00004   2.76858
   R61        2.76503   0.00003  -0.00016   0.00001  -0.00014   2.76489
   R62        2.07414  -0.00004   0.00010  -0.00005   0.00005   2.07419
   R63        2.08403   0.00001  -0.00001   0.00002   0.00001   2.08404
   R64        2.08072   0.00000  -0.00015   0.00000  -0.00013   2.08059
   R65        2.07662   0.00001  -0.00006   0.00000  -0.00006   2.07656
   R66        2.08383   0.00004  -0.00019   0.00007  -0.00012   2.08371
   R67        2.08312   0.00000   0.00002   0.00002   0.00003   2.08315
    A1        0.68365  -0.00001  -0.00004  -0.00033  -0.00038   0.68328
    A2        0.95912  -0.00002  -0.00009  -0.00047  -0.00056   0.95856
    A3        0.72763  -0.00001   0.00027  -0.00007   0.00020   0.72783
    A4        1.02046  -0.00001   0.00022  -0.00013   0.00009   1.02055
    A5        2.32827   0.00002   0.00092   0.00063   0.00155   2.32982
    A6        2.00714   0.00002   0.00090   0.00054   0.00143   2.00857
    A7        1.96202   0.00001   0.00068   0.00033   0.00100   1.96302
    A8        1.66765   0.00001   0.00030   0.00025   0.00055   1.66820
    A9        1.63870   0.00001   0.00101   0.00055   0.00155   1.64025
   A10        1.35660   0.00001   0.00106   0.00054   0.00159   1.35819
   A11        1.73851  -0.00001   0.00010  -0.00010  -0.00001   1.73850
   A12        2.04030  -0.00001   0.00040   0.00010   0.00049   2.04079
   A13        1.94098  -0.00001   0.00083   0.00038   0.00120   1.94218
   A14        2.02413   0.00000   0.00092   0.00068   0.00159   2.02572
   A15        2.43673  -0.00001   0.00030  -0.00002   0.00027   2.43700
   A16        1.55366  -0.00001   0.00025  -0.00138  -0.00113   1.55253
   A17        1.77156  -0.00002  -0.00052  -0.00156  -0.00208   1.76948
   A18        1.57423  -0.00001  -0.00150  -0.00144  -0.00295   1.57128
   A19        1.70848  -0.00001  -0.00080  -0.00181  -0.00261   1.70587
   A20        2.18267  -0.00001  -0.00072  -0.00146  -0.00218   2.18049
   A21        2.40558  -0.00001  -0.00035  -0.00172  -0.00207   2.40351
   A22        0.64936  -0.00002  -0.00012  -0.00034  -0.00046   0.64890
   A23        0.66112  -0.00001  -0.00003  -0.00015  -0.00017   0.66095
   A24        2.38292   0.00002   0.00036   0.00045   0.00080   2.38372
   A25        2.20436   0.00002   0.00052   0.00038   0.00089   2.20525
   A26        2.30267   0.00002   0.00055   0.00020   0.00076   2.30343
   A27        2.03729   0.00001   0.00015   0.00010   0.00025   2.03754
   A28        1.79759   0.00002   0.00060   0.00035   0.00094   1.79853
   A29        1.55466   0.00002   0.00076   0.00040   0.00116   1.55582
   A30        1.34418  -0.00001   0.00016   0.00007   0.00023   1.34441
   A31        1.64191  -0.00001   0.00023   0.00014   0.00037   1.64228
   A32        1.59007  -0.00001   0.00029   0.00019   0.00049   1.59056
   A33        1.73939   0.00000   0.00021   0.00035   0.00056   1.73995
   A34        2.03920  -0.00001   0.00034   0.00014   0.00047   2.03967
   A35        1.79883  -0.00001   0.00136  -0.00105   0.00031   1.79914
   A36        1.88607  -0.00001   0.00072  -0.00110  -0.00037   1.88570
   A37        1.55655  -0.00002  -0.00006  -0.00091  -0.00097   1.55558
   A38        1.57243  -0.00001   0.00046  -0.00124  -0.00079   1.57165
   A39        2.26059  -0.00001   0.00021  -0.00100  -0.00079   2.25980
   A40        2.35675  -0.00001   0.00099  -0.00126  -0.00027   2.35648
   A41        0.69297  -0.00001  -0.00001  -0.00021  -0.00022   0.69275
   A42        0.75206   0.00000  -0.00037  -0.00053  -0.00089   0.75117
   A43        2.65662   0.00001  -0.00024  -0.00002  -0.00026   2.65636
   A44        2.58803   0.00001   0.00031   0.00001   0.00032   2.58835
   A45        2.64428   0.00000   0.00068   0.00002   0.00070   2.64498
   A46        2.33902   0.00000   0.00048   0.00001   0.00049   2.33951
   A47        2.18080   0.00001   0.00041  -0.00003   0.00038   2.18118
   A48        1.94440   0.00000   0.00066   0.00007   0.00073   1.94512
   A49        1.10423   0.00000  -0.00048  -0.00020  -0.00068   1.10355
   A50        1.46387   0.00000  -0.00049  -0.00022  -0.00071   1.46315
   A51        1.56536  -0.00001  -0.00054  -0.00036  -0.00090   1.56446
   A52        1.79972   0.00000  -0.00060  -0.00029  -0.00089   1.79883
   A53        1.78918   0.00000  -0.00033  -0.00008  -0.00041   1.78877
   A54        1.64023   0.00000   0.00235  -0.00031   0.00204   1.64228
   A55        1.60132   0.00000   0.00152  -0.00038   0.00114   1.60246
   A56        1.21765   0.00000   0.00071  -0.00028   0.00043   1.21809
   A57        1.19006   0.00000   0.00079  -0.00077   0.00002   1.19009
   A58        1.92248   0.00000   0.00066  -0.00037   0.00029   1.92277
   A59        1.97372   0.00000   0.00125  -0.00081   0.00045   1.97417
   A60        0.85149  -0.00002  -0.00006  -0.00008  -0.00014   0.85134
   A61        0.79252  -0.00001  -0.00050  -0.00041  -0.00091   0.79161
   A62        2.61318   0.00000  -0.00071   0.00011  -0.00060   2.61257
   A63        2.76660   0.00000  -0.00019   0.00006  -0.00014   2.76647
   A64        2.59421   0.00000   0.00063  -0.00012   0.00051   2.59472
   A65        2.38719   0.00000   0.00012  -0.00002   0.00010   2.38730
   A66        2.18736   0.00000   0.00051   0.00006   0.00057   2.18794
   A67        0.87064   0.00000  -0.00079  -0.00019  -0.00097   0.86967
   A68        1.24692   0.00000  -0.00080  -0.00019  -0.00099   1.24593
   A69        1.43055  -0.00001  -0.00097  -0.00036  -0.00133   1.42922
   A70        1.70148  -0.00001  -0.00102  -0.00032  -0.00134   1.70014
   A71        1.53125   0.00000  -0.00050   0.00000  -0.00049   1.53076
   A72        1.64032   0.00001   0.00284  -0.00012   0.00272   1.64304
   A73        1.49761   0.00001   0.00208  -0.00016   0.00192   1.49953
   A74        1.07827   0.00001   0.00155  -0.00005   0.00151   1.07978
   A75        0.97846   0.00001   0.00140  -0.00051   0.00089   0.97935
   A76        1.74845   0.00001   0.00099  -0.00017   0.00081   1.74926
   A77        1.74389   0.00001   0.00155  -0.00065   0.00091   1.74480
   A78        1.98746   0.00002   0.00002   0.00027   0.00029   1.98775
   A79        1.92493   0.00002   0.00006   0.00014   0.00020   1.92514
   A80        2.20092   0.00001   0.00011  -0.00001   0.00010   2.20101
   A81        2.05594   0.00001  -0.00042  -0.00018  -0.00060   2.05534
   A82        1.53601   0.00002   0.00016   0.00006   0.00022   1.53623
   A83        1.36626   0.00001   0.00038   0.00015   0.00053   1.36678
   A84        1.19554   0.00000   0.00092   0.00066   0.00158   1.19712
   A85        1.38073   0.00000   0.00082   0.00063   0.00145   1.38218
   A86        1.21379   0.00001   0.00061   0.00049   0.00110   1.21489
   A87        1.31906   0.00001   0.00029   0.00047   0.00077   1.31983
   A88        1.80712   0.00001   0.00104   0.00065   0.00169   1.80881
   A89        2.23233  -0.00002   0.00139  -0.00105   0.00033   2.23266
   A90        2.29008  -0.00001   0.00131  -0.00073   0.00058   2.29066
   A91        1.90780  -0.00002   0.00090  -0.00039   0.00050   1.90830
   A92        1.82682  -0.00001   0.00155  -0.00048   0.00106   1.82788
   A93        2.59980  -0.00001   0.00090  -0.00029   0.00061   2.60041
   A94        2.54211   0.00000   0.00192  -0.00021   0.00170   2.54381
   A95        1.90611   0.00001   0.00008   0.00051   0.00058   1.90670
   A96        1.97841   0.00001   0.00019   0.00048   0.00067   1.97908
   A97        2.35216   0.00001   0.00028   0.00039   0.00066   2.35282
   A98        2.30225   0.00000  -0.00026   0.00017  -0.00009   2.30216
   A99        1.64730   0.00001   0.00031   0.00038   0.00069   1.64799
   A100       1.55019   0.00001   0.00059   0.00050   0.00109   1.55128
   A101       0.88862   0.00000   0.00081   0.00049   0.00130   0.88992
   A102       1.05927   0.00000   0.00066   0.00049   0.00114   1.06042
   A103       0.93035   0.00000   0.00038   0.00037   0.00075   0.93111
   A104       1.09104   0.00001   0.00008   0.00039   0.00047   1.09151
   A105       1.48552   0.00000   0.00087   0.00051   0.00138   1.48690
   A106       2.39222   0.00000   0.00196  -0.00085   0.00111   2.39333
   A107       2.28604   0.00000   0.00171  -0.00046   0.00126   2.28730
   A108       1.85971   0.00000   0.00141  -0.00030   0.00111   1.86082
   A109       1.68804   0.00000   0.00176  -0.00037   0.00139   1.68944
   A110       2.44029   0.00000   0.00091   0.00002   0.00094   2.44123
   A111       2.27960   0.00000   0.00170  -0.00010   0.00161   2.28120
   A112       0.71350   0.00000   0.00003   0.00002   0.00005   0.71355
   A113       1.00496   0.00000  -0.00008   0.00000  -0.00008   1.00487
   A114       0.69491   0.00000  -0.00008   0.00007  -0.00002   0.69489
   A115       0.98232   0.00000  -0.00010   0.00010  -0.00001   0.98231
   A116       1.80037   0.00001   0.00034   0.00049   0.00082   1.80119
   A117       1.42049   0.00001   0.00029   0.00044   0.00073   1.42122
   A118       1.18507   0.00001   0.00029   0.00049   0.00078   1.18585
   A119       0.91179   0.00001   0.00031   0.00042   0.00073   0.91252
   A120       1.24895   0.00000   0.00028   0.00029   0.00057   1.24952
   A121       1.98334  -0.00001  -0.00211   0.00027  -0.00184   1.98150
   A122       2.00425  -0.00001  -0.00124   0.00054  -0.00070   2.00355
   A123       2.33773   0.00000  -0.00008   0.00056   0.00048   2.33821
   A124       2.24643  -0.00001  -0.00013   0.00117   0.00104   2.24747
   A125       1.63944   0.00000  -0.00055   0.00057   0.00002   1.63945
   A126       1.50502  -0.00001  -0.00106   0.00100  -0.00006   1.50496
   A127       0.65599   0.00000  -0.00021  -0.00005  -0.00026   0.65573
   A128       0.66100   0.00000  -0.00018  -0.00001  -0.00019   0.66081
   A129       2.15960   0.00001   0.00054   0.00063   0.00117   2.16077
   A130       1.78938   0.00001   0.00044   0.00056   0.00100   1.79037
   A131       1.49236   0.00001   0.00055   0.00065   0.00120   1.49355
   A132       1.20025   0.00001   0.00054   0.00061   0.00115   1.20140
   A133       1.64198   0.00000   0.00025   0.00032   0.00057   1.64255
   A134       1.83807  -0.00002  -0.00242  -0.00017  -0.00259   1.83548
   A135       2.01762  -0.00001  -0.00186   0.00005  -0.00181   2.01582
   A136       2.43829  -0.00001  -0.00136   0.00000  -0.00136   2.43693
   A137       2.50497  -0.00001  -0.00109   0.00078  -0.00031   2.50466
   A138       1.75712  -0.00001  -0.00092   0.00024  -0.00068   1.75645
   A139       1.72063  -0.00001  -0.00157   0.00082  -0.00075   1.71988
   A140       0.70493   0.00000  -0.00004   0.00001  -0.00003   0.70490
   A141       0.83480   0.00000  -0.00027  -0.00016  -0.00043   0.83436
   A142       2.49659   0.00000   0.00012   0.00038   0.00049   2.49708
   A143       2.11672   0.00001   0.00012   0.00037   0.00049   2.11721
   A144       1.89224   0.00001   0.00042   0.00056   0.00099   1.89323
   A145       1.60724   0.00001   0.00048   0.00053   0.00101   1.60825
   A146       1.84183   0.00000  -0.00025   0.00011  -0.00014   1.84170
   A147       1.41215  -0.00001  -0.00247  -0.00021  -0.00267   1.40947
   A148       1.63390  -0.00001  -0.00207  -0.00015  -0.00222   1.63168
   A149       2.06173  -0.00001  -0.00187  -0.00027  -0.00214   2.05958
   A150       2.23740  -0.00001  -0.00193   0.00015  -0.00178   2.23562
   A151       1.46361  -0.00001  -0.00115  -0.00005  -0.00119   1.46242
   A152       1.52825  -0.00001  -0.00195   0.00050  -0.00145   1.52679
   A153       0.76464   0.00000  -0.00051  -0.00006  -0.00057   0.76407
   A154       0.76773   0.00000  -0.00086  -0.00029  -0.00115   0.76658
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   A156       2.42390   0.00001   0.00017   0.00041   0.00058   2.42448
   A157       2.14641   0.00001   0.00034   0.00061   0.00096   2.14736
   A158       1.85320   0.00001   0.00032   0.00059   0.00091   1.85410
   A159       2.15429   0.00000  -0.00013   0.00008  -0.00005   2.15424
   A160       1.27544  -0.00002  -0.00193  -0.00046  -0.00239   1.27305
   A161       1.58520  -0.00002  -0.00162  -0.00044  -0.00207   1.58313
   A162       1.98554  -0.00001  -0.00177  -0.00055  -0.00233   1.98322
   A163       2.24404  -0.00001  -0.00172  -0.00035  -0.00207   2.24197
   A164       1.53886  -0.00001  -0.00065  -0.00029  -0.00094   1.53792
   A165       1.68246  -0.00001  -0.00149   0.00026  -0.00124   1.68122
   A166       2.14142   0.00001   0.00103   0.00081   0.00184   2.14326
   A167       1.84732   0.00001   0.00084   0.00073   0.00157   1.84889
   A168       1.46006   0.00001   0.00089   0.00076   0.00166   1.46172
   A169       1.18216   0.00001   0.00077   0.00076   0.00153   1.18369
   A170       1.86244   0.00000   0.00064   0.00049   0.00113   1.86357
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   A172       2.33056  -0.00002  -0.00216  -0.00029  -0.00245   2.32811
   A173       2.74859  -0.00001  -0.00223  -0.00053  -0.00277   2.74583
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   A175       2.12803  -0.00001  -0.00165   0.00086  -0.00078   2.12724
   A176       2.24346   0.00001   0.00148   0.00108   0.00256   2.24602
   A177       2.02955   0.00001   0.00123   0.00100   0.00222   2.03177
   A178       1.61879   0.00001   0.00124   0.00101   0.00224   1.62103
   A179       1.37032   0.00002   0.00101   0.00100   0.00201   1.37233
   A180       2.12499   0.00000   0.00090   0.00069   0.00158   2.12657
   A181       1.96444  -0.00002  -0.00234  -0.00108  -0.00342   1.96102
   A182       2.33017  -0.00002  -0.00239  -0.00096  -0.00335   2.32682
   A183       2.65012  -0.00001  -0.00256  -0.00124  -0.00381   2.64631
   A184       2.28964  -0.00001  -0.00148  -0.00037  -0.00185   2.28779
   A185       2.35135   0.00000  -0.00208   0.00053  -0.00155   2.34980
   A186       0.69092   0.00000   0.00008   0.00003   0.00012   0.69104
   A187       0.98158  -0.00001   0.00013   0.00005   0.00018   0.98176
   A188       0.69913   0.00000   0.00013   0.00006   0.00019   0.69932
   A189       2.07358   0.00002   0.00097  -0.00005   0.00092   2.07450
   A190       1.70543   0.00001   0.00082  -0.00002   0.00080   1.70623
   A191       1.36480   0.00000   0.00129   0.00001   0.00129   1.36609
   A192       1.06389   0.00000   0.00108   0.00002   0.00111   1.06500
   A193       1.61928   0.00001  -0.00006  -0.00006  -0.00011   1.61917
   A194       1.40077   0.00000   0.00076  -0.00042   0.00034   1.40111
   A195       0.66696  -0.00001   0.00011  -0.00003   0.00009   0.66704
   A196       2.23732   0.00002   0.00032   0.00030   0.00062   2.23794
   A197       1.84102   0.00002   0.00051   0.00032   0.00083   1.84185
   A198       1.60349   0.00000   0.00133   0.00025   0.00158   1.60507
   A199       1.28934   0.00000   0.00097   0.00042   0.00140   1.29074
   A200       1.61298   0.00001  -0.00019   0.00026   0.00007   1.61305
   A201       1.33942   0.00000   0.00041  -0.00001   0.00041   1.33982
   A202       0.71013   0.00000   0.00027   0.00001   0.00028   0.71041
   A203       2.63273   0.00002  -0.00002   0.00046   0.00044   2.63317
   A204       2.24123   0.00002   0.00040   0.00043   0.00083   2.24206
   A205       2.01382   0.00000   0.00137   0.00022   0.00159   2.01541
   A206       1.69977   0.00000   0.00103   0.00037   0.00141   1.70118
   A207       1.95437   0.00001  -0.00027   0.00044   0.00018   1.95454
   A208       1.66589   0.00000   0.00014   0.00029   0.00043   1.66632
   A209       0.83481  -0.00001   0.00038  -0.00010   0.00028   0.83509
   A210       2.70046   0.00001  -0.00099   0.00064  -0.00035   2.70011
   A211       2.37972   0.00001   0.00012   0.00056   0.00067   2.38040
   A212       2.25878   0.00000   0.00141   0.00029   0.00171   2.26049
   A213       1.94775  -0.00001   0.00102   0.00049   0.00151   1.94927
   A214       2.01240   0.00000  -0.00023   0.00050   0.00027   2.01268
   A215       1.72931  -0.00001  -0.00006   0.00046   0.00040   1.72971
   A216       1.93022   0.00002  -0.00056   0.00054  -0.00002   1.93020
   A217       1.55559   0.00002  -0.00010   0.00057   0.00047   1.55607
   A218       1.46112   0.00001   0.00093   0.00052   0.00145   1.46258
   A219       1.17657   0.00001   0.00042   0.00086   0.00129   1.17786
   A220       1.24458   0.00001  -0.00053   0.00041  -0.00011   1.24447
   A221       0.95713   0.00000  -0.00008   0.00022   0.00015   0.95728
   A222       0.71603   0.00001  -0.00005  -0.00009  -0.00014   0.71589
   A223       1.00972   0.00001  -0.00010  -0.00007  -0.00017   1.00954
   A224       0.69961   0.00001  -0.00034   0.00011  -0.00023   0.69938
   A225       0.98823   0.00002  -0.00057   0.00020  -0.00037   0.98786
   A226       0.66067   0.00001  -0.00014   0.00005  -0.00009   0.66058
   A227       0.66597   0.00001   0.00007   0.00005   0.00012   0.66609
   A228       0.70804   0.00000   0.00014  -0.00008   0.00006   0.70810
   A229       0.84016   0.00000   0.00117  -0.00034   0.00083   0.84098
   A230       0.77738   0.00000  -0.00068   0.00027  -0.00040   0.77698
   A231       0.78463   0.00000   0.00053  -0.00002   0.00051   0.78514
   A232       1.59011   0.00006  -0.00119  -0.00053  -0.00172   1.58839
   A233       1.86360  -0.00004   0.00093   0.00087   0.00181   1.86541
   A234       2.19038   0.00003  -0.00009  -0.00007  -0.00016   2.19022
   A235       2.12946  -0.00001   0.00002   0.00000   0.00002   2.12948
   A236       1.96301  -0.00002   0.00008   0.00007   0.00015   1.96316
   A237       2.12191   0.00000  -0.00010   0.00006  -0.00003   2.12187
   A238       2.12683  -0.00003   0.00007  -0.00022  -0.00015   2.12669
   A239       2.03262   0.00002  -0.00007   0.00023   0.00016   2.03278
   A240       1.85837  -0.00005   0.00021   0.00084   0.00105   1.85942
   A241       2.51350   0.00007  -0.00028  -0.00064  -0.00092   2.51258
   A242       1.91349  -0.00002  -0.00010   0.00015   0.00005   1.91354
   A243       1.91846  -0.00001  -0.00002  -0.00011  -0.00012   1.91833
   A244       1.91549   0.00003  -0.00009   0.00005  -0.00003   1.91545
   A245       1.90922  -0.00001   0.00017  -0.00020  -0.00003   1.90919
   A246       1.90911  -0.00002   0.00011  -0.00012  -0.00001   1.90909
   A247       1.89795   0.00003  -0.00007   0.00023   0.00016   1.89810
   A248       1.29915  -0.00001  -0.00206  -0.00258  -0.00464   1.29451
   A249       1.90607   0.00000  -0.00007  -0.00011  -0.00018   1.90589
   A250       1.90934   0.00001   0.00001  -0.00008  -0.00007   1.90927
   A251       1.92689   0.00000   0.00007   0.00008   0.00016   1.92705
   A252       1.91092  -0.00003   0.00001  -0.00007  -0.00006   1.91086
   A253       1.89684   0.00001   0.00009   0.00018   0.00026   1.89711
   A254       1.91366   0.00001  -0.00011   0.00000  -0.00011   1.91355
   A255       1.71978   0.00001  -0.00028   0.00007  -0.00022   1.71956
   A256       1.77238   0.00000   0.00009  -0.00010  -0.00001   1.77237
   A257       2.19059   0.00000  -0.00002   0.00000  -0.00002   2.19057
   A258       2.13003  -0.00001  -0.00001  -0.00002  -0.00003   2.13000
   A259       1.96236   0.00000   0.00002   0.00003   0.00005   1.96240
   A260       2.12349   0.00000  -0.00002   0.00003   0.00001   2.12350
   A261       2.12430   0.00000  -0.00002   0.00001   0.00000   2.12431
   A262       2.03521   0.00000   0.00003  -0.00005  -0.00002   2.03520
   A263       1.34172   0.00001  -0.00251  -0.00011  -0.00262   1.33910
   A264       1.89952   0.00000  -0.00023  -0.00006  -0.00030   1.89922
   A265       1.93205   0.00000   0.00012   0.00001   0.00014   1.93218
   A266       1.90979   0.00000  -0.00006   0.00008   0.00002   1.90981
   A267       1.89824   0.00000   0.00011   0.00000   0.00011   1.89836
   A268       1.91267   0.00001  -0.00006   0.00000  -0.00006   1.91261
   A269       1.91143  -0.00001   0.00011  -0.00003   0.00009   1.91151
   A270       2.65953   0.00000   0.00090   0.00068   0.00158   2.66111
   A271       1.70426   0.00000  -0.00077  -0.00072  -0.00149   1.70277
   A272       1.92421   0.00000  -0.00001   0.00007   0.00006   1.92427
   A273       1.91363   0.00001  -0.00020  -0.00010  -0.00031   1.91332
   A274       1.91370   0.00000  -0.00005   0.00002  -0.00003   1.91367
   A275       1.89447  -0.00001   0.00021  -0.00004   0.00017   1.89465
   A276       1.91088   0.00000  -0.00001   0.00003   0.00001   1.91089
   A277       1.90676   0.00000   0.00007   0.00002   0.00009   1.90685
   A278       1.80978   0.00000  -0.00058  -0.00006  -0.00064   1.80914
   A279       1.75280  -0.00001   0.00080  -0.00015   0.00064   1.75344
   A280       2.18984   0.00000  -0.00016  -0.00004  -0.00020   2.18964
   A281       2.13040   0.00000   0.00007   0.00001   0.00008   2.13048
   A282       1.96286  -0.00001   0.00009   0.00003   0.00012   1.96298
   A283       2.12255   0.00000   0.00010   0.00002   0.00012   2.12267
   A284       2.11589   0.00001  -0.00037   0.00005  -0.00031   2.11558
   A285       2.04142  -0.00001   0.00033  -0.00004   0.00029   2.04171
   A286       2.69424   0.00001  -0.00014   0.00035   0.00021   2.69445
   A287       1.66521  -0.00001   0.00024  -0.00038  -0.00015   1.66506
   A288       1.92574   0.00000  -0.00003  -0.00001  -0.00004   1.92569
   A289       1.91580  -0.00001   0.00012  -0.00004   0.00009   1.91589
   A290       1.91246  -0.00001  -0.00011   0.00000  -0.00011   1.91235
   A291       1.89112   0.00000   0.00011  -0.00006   0.00005   1.89118
   A292       1.91236   0.00000  -0.00003   0.00005   0.00002   1.91238
   A293       1.90613   0.00001  -0.00007   0.00007  -0.00001   1.90613
   A294       1.35851  -0.00002  -0.00387  -0.00052  -0.00440   1.35411
   A295       1.14780   0.00001   0.00246   0.00030   0.00276   1.15056
   A296       1.93245   0.00000   0.00020   0.00001   0.00021   1.93266
   A297       1.90695  -0.00002  -0.00016  -0.00004  -0.00020   1.90675
   A298       1.90180   0.00001  -0.00014  -0.00005  -0.00021   1.90159
   A299       1.90962   0.00001  -0.00002   0.00000  -0.00002   1.90961
   A300       1.89780   0.00000   0.00023   0.00013   0.00036   1.89817
   A301       1.91515  -0.00001  -0.00011  -0.00005  -0.00015   1.91500
   A302       1.71718   0.00003  -0.00100   0.00102   0.00002   1.71720
   A303       1.76128   0.00004   0.00249  -0.00088   0.00161   1.76289
   A304       2.19332   0.00001  -0.00013   0.00010  -0.00004   2.19327
   A305       2.12994  -0.00002   0.00004  -0.00013  -0.00010   2.12984
   A306       1.95963   0.00002   0.00011   0.00003   0.00015   1.95978
   A307       2.12536   0.00002  -0.00047   0.00020  -0.00028   2.12508
   A308       2.12050   0.00002  -0.00003   0.00016   0.00012   2.12062
   A309       2.03644  -0.00004   0.00055  -0.00032   0.00022   2.03666
   A310       1.38770   0.00001  -0.00526   0.00247  -0.00278   1.38492
   A311       2.96861  -0.00004   0.00605  -0.00258   0.00346   2.97207
   A312       1.90746  -0.00001  -0.00015   0.00015  -0.00001   1.90746
   A313       1.92776   0.00000  -0.00020   0.00035   0.00011   1.92788
   A314       1.90570   0.00000   0.00015  -0.00006   0.00008   1.90578
   A315       1.91294   0.00003  -0.00058  -0.00003  -0.00059   1.91235
   A316       1.91247   0.00002  -0.00011   0.00010   0.00000   1.91248
   A317       1.89742  -0.00004   0.00090  -0.00051   0.00041   1.89782
   A318       1.70572   0.00001   0.00482  -0.00125   0.00357   1.70929
   A319       1.91347  -0.00002   0.00010   0.00004   0.00014   1.91361
   A320       1.91519   0.00001   0.00036  -0.00002   0.00033   1.91552
   A321       1.92450   0.00001  -0.00015   0.00004  -0.00010   1.92440
   A322       1.90454   0.00000   0.00005  -0.00002   0.00004   1.90458
   A323       1.91155   0.00000  -0.00031   0.00001  -0.00030   1.91125
   A324       1.89436  -0.00001  -0.00006  -0.00005  -0.00011   1.89425
   A325       2.92114   0.00000   0.00059  -0.00015   0.00044   2.92158
   A326       3.34718   0.00001   0.00021  -0.00126  -0.00106   3.34612
   A327       3.06508   0.00000   0.00026  -0.00127  -0.00102   3.06406
   A328       3.21281  -0.00001  -0.00217  -0.00257  -0.00474   3.20806
   A329       3.25315   0.00001  -0.00240  -0.00014  -0.00253   3.25061
   A330       3.26813  -0.00001  -0.00389  -0.00052  -0.00441   3.26372
   A331       3.61727   0.00001   0.00451  -0.00124   0.00327   3.62055
   A332       3.22350   0.00000  -0.00067  -0.00004  -0.00070   3.22280
   A333       3.03987  -0.00001  -0.00234  -0.00076  -0.00311   3.03676
   A334       2.97908  -0.00001  -0.00255  -0.00095  -0.00351   2.97557
   A335       3.23693   0.00000  -0.00011  -0.00049  -0.00060   3.23633
   A336       3.07967   0.00000   0.00078   0.00027   0.00104   3.08071
   A337       3.10077   0.00001   0.00099   0.00020   0.00119   3.10197
   A338       3.03540   0.00000  -0.00040  -0.00007  -0.00046   3.03494
    D1        2.76233   0.00000   0.00018  -0.00007   0.00010   2.76243
    D2       -1.35623   0.00000  -0.00004  -0.00007  -0.00011  -1.35634
    D3        2.79656  -0.00001   0.00031   0.00034   0.00065   2.79722
    D4       -1.32199  -0.00001   0.00010   0.00034   0.00044  -1.32155
    D5        1.66196   0.00000   0.00039   0.00002   0.00041   1.66237
    D6       -2.45660   0.00000   0.00017   0.00002   0.00020  -2.45640
    D7        1.83925   0.00000   0.00100   0.00068   0.00168   1.84093
    D8       -2.27930  -0.00001   0.00079   0.00068   0.00147  -2.27784
    D9        0.31733   0.00000   0.00129   0.00045   0.00173   0.31907
   D10        2.48197   0.00000   0.00107   0.00045   0.00152   2.48348
   D11        0.03940  -0.00001   0.00117   0.00042   0.00158   0.04099
   D12        2.20403  -0.00001   0.00095   0.00042   0.00137   2.20540
   D13       -0.42694  -0.00001   0.00098   0.00037   0.00136  -0.42558
   D14        1.73770  -0.00001   0.00077   0.00038   0.00114   1.73884
   D15       -0.54656   0.00000   0.00169   0.00059   0.00228  -0.54429
   D16        1.61807  -0.00001   0.00147   0.00059   0.00206   1.62013
   D17        0.22029  -0.00001   0.00124   0.00057   0.00181   0.22210
   D18        2.38492  -0.00001   0.00103   0.00057   0.00160   2.38652
   D19        0.15951  -0.00001   0.00103   0.00038   0.00141   0.16092
   D20        2.32414  -0.00001   0.00082   0.00038   0.00119   2.32533
   D21        2.38622   0.00000   0.00258   0.00153   0.00411   2.39033
   D22       -1.73233   0.00000   0.00236   0.00153   0.00389  -1.72844
   D23        2.13944   0.00001   0.00288   0.00174   0.00462   2.14406
   D24       -1.97912   0.00001   0.00267   0.00174   0.00441  -1.97471
   D25        1.69854   0.00001   0.00261   0.00161   0.00423   1.70277
   D26       -2.42001   0.00001   0.00240   0.00161   0.00401  -2.41600
   D27        1.39117   0.00002   0.00249   0.00160   0.00409   1.39527
   D28       -2.72738   0.00001   0.00227   0.00160   0.00388  -2.72350
   D29        2.34349   0.00000   0.00402   0.00219   0.00622   2.34971
   D30       -1.77506   0.00000   0.00380   0.00219   0.00600  -1.76906
   D31       -1.81878   0.00002   0.00362   0.00121   0.00483  -1.81395
   D32        0.34585   0.00001   0.00340   0.00121   0.00461   0.35046
   D33       -2.15190   0.00001   0.00334   0.00116   0.00450  -2.14740
   D34        0.01273   0.00001   0.00313   0.00116   0.00429   0.01702
   D35       -2.53455   0.00000   0.00362   0.00129   0.00491  -2.52964
   D36       -0.36991   0.00000   0.00340   0.00129   0.00469  -0.36522
   D37       -2.81958   0.00000   0.00359   0.00133   0.00492  -2.81466
   D38       -0.65494   0.00000   0.00337   0.00133   0.00470  -0.65024
   D39       -2.14635   0.00000   0.00236   0.00095   0.00331  -2.14305
   D40        0.01828   0.00000   0.00215   0.00095   0.00309   0.02137
   D41       -2.39494  -0.00001   0.00379   0.00062   0.00440  -2.39054
   D42       -0.23031  -0.00001   0.00357   0.00062   0.00419  -0.22612
   D43        1.25091   0.00000  -0.00054  -0.00055  -0.00109   1.24982
   D44       -1.97667   0.00000   0.00023   0.00104   0.00127  -1.97540
   D45        2.44002  -0.00001  -0.00002  -0.00022  -0.00024   2.43979
   D46       -0.78755  -0.00001   0.00075   0.00137   0.00212  -0.78543
   D47        2.92197  -0.00001   0.00044   0.00031   0.00074   2.92271
   D48       -0.30560  -0.00001   0.00120   0.00189   0.00310  -0.30251
   D49        2.82583   0.00000   0.00195   0.00040   0.00235   2.82818
   D50       -0.40175   0.00001   0.00272   0.00199   0.00471  -0.39704
   D51        2.02749  -0.00001   0.00173   0.00031   0.00204   2.02954
   D52       -1.20008  -0.00001   0.00250   0.00190   0.00440  -1.19568
   D53        1.15843  -0.00001   0.00094   0.00033   0.00127   1.15970
   D54       -2.06914  -0.00001   0.00170   0.00192   0.00363  -2.06552
   D55        1.01835  -0.00001   0.00147   0.00039   0.00186   1.02021
   D56       -2.20923  -0.00001   0.00224   0.00198   0.00422  -2.20501
   D57        2.00805   0.00000   0.00114   0.00029   0.00143   2.00948
   D58       -1.21952   0.00000   0.00191   0.00188   0.00379  -1.21574
   D59        1.81957  -0.00001   0.00069   0.00003   0.00072   1.82028
   D60       -1.40801  -0.00001   0.00145   0.00162   0.00307  -1.40494
   D61       -2.30820   0.00000   0.00206   0.00120   0.00326  -2.30494
   D62        0.74741   0.00000   0.00282   0.00279   0.00561   0.75303
   D63       -2.44134   0.00000   0.00186   0.00102   0.00288  -2.43846
   D64        0.61427   0.00000   0.00263   0.00261   0.00524   0.61951
   D65       -2.84340   0.00000   0.00181   0.00097   0.00278  -2.84062
   D66        0.21221   0.00000   0.00258   0.00256   0.00514   0.21734
   D67       -3.02145   0.00001   0.00170   0.00102   0.00272  -3.01874
   D68        0.03416   0.00001   0.00246   0.00261   0.00507   0.03923
   D69       -2.16400   0.00000   0.00200   0.00088   0.00288  -2.16112
   D70        0.89161   0.00000   0.00277   0.00247   0.00523   0.89685
   D71       -0.20708   0.00002   0.00199   0.00135   0.00334  -0.20374
   D72        2.84853   0.00002   0.00276   0.00294   0.00569   2.85422
   D73       -0.60200   0.00002   0.00222   0.00138   0.00360  -0.59840
   D74        2.45361   0.00002   0.00299   0.00297   0.00596   2.45956
   D75       -0.79587   0.00001   0.00338   0.00141   0.00479  -0.79108
   D76        2.25974   0.00001   0.00415   0.00300   0.00715   2.26689
   D77       -1.13142   0.00000   0.00309   0.00156   0.00466  -1.12676
   D78        1.92419   0.00000   0.00386   0.00315   0.00702   1.93121
   D79       -0.86475   0.00001   0.00141   0.00125   0.00266  -0.86209
   D80        2.19086   0.00001   0.00218   0.00284   0.00502   2.19588
   D81       -1.17154   0.00000   0.00178   0.00110   0.00288  -1.16865
   D82        1.88407   0.00000   0.00255   0.00269   0.00524   1.88931
   D83       -1.52551  -0.00001  -0.00085  -0.00090  -0.00174  -1.52725
   D84       -2.60419  -0.00001  -0.00058  -0.00052  -0.00109  -2.60528
   D85       -2.93120  -0.00001  -0.00057  -0.00024  -0.00081  -2.93201
   D86        0.73044   0.00000   0.00046  -0.00019   0.00027   0.73072
   D87        0.31075   0.00000   0.00046  -0.00024   0.00021   0.31096
   D88       -0.06416  -0.00001   0.00042  -0.00037   0.00005  -0.06411
   D89       -0.39647  -0.00001   0.00065  -0.00025   0.00040  -0.39607
   D90        0.18691   0.00000   0.00045  -0.00012   0.00033   0.18724
   D91       -0.04834   0.00000   0.00030  -0.00025   0.00005  -0.04829
   D92        2.39449   0.00000   0.00122   0.00054   0.00176   2.39625
   D93        2.04659   0.00000   0.00120   0.00055   0.00175   2.04834
   D94        1.65248   0.00000   0.00135   0.00067   0.00202   1.65450
   D95        1.36517   0.00001   0.00123   0.00068   0.00190   1.36707
   D96        2.04937   0.00000   0.00118   0.00043   0.00160   2.05098
   D97       -1.96068   0.00002   0.00290   0.00107   0.00397  -1.95671
   D98       -2.47172   0.00003   0.00255   0.00153   0.00409  -2.46763
   D99       -2.69794   0.00001   0.00275   0.00113   0.00388  -2.69407
   D100      -3.01563   0.00001   0.00207   0.00137   0.00344  -3.01218
   D101      -2.90443   0.00003   0.00172   0.00235   0.00407  -2.90036
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   D320       0.28015   0.00000   0.00037   0.00115   0.00153   0.28167
   D321       2.34676   0.00000   0.00148   0.00127   0.00275   2.34951
   D322      -0.55075   0.00000   0.00101   0.00103   0.00204  -0.54871
   D323       1.51586   0.00000   0.00211   0.00115   0.00326   1.51912
   D324      -0.59033   0.00000  -0.00002   0.00165   0.00163  -0.58870
   D325       1.47628   0.00000   0.00109   0.00177   0.00286   1.47913
   D326       0.02106   0.00002   0.00233   0.00050   0.00284   0.02391
   D327       2.20386   0.00001   0.00281   0.00043   0.00325   2.20711
   D328       0.33920   0.00001   0.00162   0.00009   0.00171   0.34091
   D329       2.52200   0.00001   0.00210   0.00002   0.00212   2.52412
   D330       0.69967   0.00000   0.00206   0.00002   0.00207   0.70174
   D331       2.88246   0.00000   0.00254  -0.00006   0.00248   2.88495
   D332       0.97692   0.00000   0.00207  -0.00010   0.00197   0.97889
   D333      -3.12347  -0.00001   0.00255  -0.00017   0.00238  -3.12109
   D334       0.30530  -0.00001   0.00007  -0.00075  -0.00068   0.30462
   D335       2.48809  -0.00001   0.00055  -0.00082  -0.00027   2.48782
   D336       0.68709  -0.00002   0.00048  -0.00101  -0.00054   0.68656
   D337       2.86989  -0.00003   0.00096  -0.00109  -0.00013   2.86976
   D338      -2.38670   0.00001   0.00205   0.00051   0.00256  -2.38414
   D339      -0.20390   0.00001   0.00253   0.00043   0.00297  -0.20094
   D340      -1.99816   0.00000   0.00160   0.00037   0.00197  -1.99619
   D341       0.18463   0.00000   0.00208   0.00030   0.00238   0.18701
   D342      -1.94925   0.00000   0.00148  -0.00010   0.00139  -1.94786
   D343       0.23355  -0.00001   0.00196  -0.00017   0.00179   0.23534
   D344      -1.65624   0.00000   0.00200  -0.00020   0.00180  -1.65444
   D345       0.52656  -0.00001   0.00248  -0.00028   0.00220   0.52876
   D346      -1.61716   0.00001   0.00112   0.00060   0.00172  -1.61544
   D347       0.56563   0.00000   0.00160   0.00052   0.00213   0.56776
   D348      -1.31013   0.00000   0.00080   0.00039   0.00119  -1.30894
   D349       0.87267   0.00000   0.00128   0.00031   0.00160   0.87427
   D350       1.77397   0.00000   0.00267  -0.00039   0.00229   1.77625
   D351      -2.32642  -0.00001   0.00315  -0.00046   0.00269  -2.32373
   D352       2.18897   0.00000   0.00328  -0.00051   0.00277   2.19174
   D353      -1.91142  -0.00001   0.00376  -0.00058   0.00318  -1.90825
   D354       2.38419   0.00000   0.00520  -0.00115   0.00404   2.38824
   D355      -1.71620  -0.00001   0.00568  -0.00123   0.00445  -1.71175
   D356       3.01832   0.00001   0.00511  -0.00048   0.00463   3.02295
   D357      -1.08206   0.00001   0.00559  -0.00055   0.00503  -1.07703
   D358       2.53155   0.00001   0.00257  -0.00010   0.00246   2.53401
   D359      -1.56884   0.00000   0.00305  -0.00018   0.00287  -1.56597
   D360       1.61680   0.00001  -0.00024  -0.00011  -0.00035   1.61645
   D361      -2.48359   0.00000   0.00024  -0.00018   0.00006  -2.48353
   D362       1.76563   0.00001   0.00124  -0.00075   0.00048   1.76612
   D363      -2.33476   0.00001   0.00172  -0.00082   0.00089  -2.33387
   D364       2.74129  -0.00001   0.00027  -0.00025   0.00002   2.74131
   D365      -1.35910  -0.00001   0.00075  -0.00032   0.00043  -1.35867
   D366       2.70929   0.00000   0.00209  -0.00080   0.00129   2.71058
   D367      -1.39110  -0.00001   0.00257  -0.00088   0.00169  -1.38940
   D368       0.04491   0.00000  -0.00001   0.00039   0.00039   0.04530
   D369      -2.70063   0.00001   0.00397  -0.00066   0.00332  -2.69731
   D370       0.44412   0.00000   0.00015   0.00033   0.00048   0.44460
   D371      -2.30142   0.00001   0.00412  -0.00072   0.00341  -2.29801
   D372       0.64101   0.00000   0.00133   0.00079   0.00212   0.64313
   D373      -2.10453   0.00000   0.00530  -0.00025   0.00505  -2.09948
   D374       0.90344   0.00000   0.00169   0.00082   0.00250   0.90593
   D375      -1.84210   0.00000   0.00566  -0.00023   0.00543  -1.83668
   D376       0.70479  -0.00001  -0.00095  -0.00033  -0.00128   0.70351
   D377      -2.04075  -0.00001   0.00303  -0.00138   0.00165  -2.03910
   D378       1.03983  -0.00001  -0.00057  -0.00020  -0.00077   1.03906
   D379      -1.70571  -0.00001   0.00340  -0.00125   0.00216  -1.70356
   D380      -2.80427   0.00000   0.00207   0.00122   0.00329  -2.80097
   D381       0.73338   0.00001   0.00604   0.00017   0.00622   0.73960
   D382      -2.24342   0.00000   0.00210   0.00166   0.00375  -2.23967
   D383       1.29422   0.00001   0.00607   0.00062   0.00668   1.30090
   D384      -1.97507   0.00000   0.00060   0.00094   0.00153  -1.97354
   D385       1.56257   0.00000   0.00457  -0.00010   0.00446   1.56703
   D386      -1.63327   0.00000   0.00042   0.00079   0.00121  -1.63206
   D387       1.90438   0.00000   0.00440  -0.00026   0.00414   1.90852
   D388      -1.71244   0.00000   0.00205   0.00273   0.00475  -1.70769
   D389       1.82521   0.00001   0.00602   0.00168   0.00768   1.83288
   D390      -1.06583  -0.00001  -0.00168   0.00102  -0.00065  -1.06648
   D391       2.47181   0.00000   0.00229  -0.00003   0.00228   2.47409
   D392       1.78634  -0.00001   0.00038   0.00059   0.00097   1.78731
   D393      -0.95920   0.00000   0.00435  -0.00046   0.00389  -0.95530
   D394       2.08561  -0.00001   0.00036   0.00044   0.00080   2.08641
   D395      -0.65993   0.00000   0.00433  -0.00061   0.00373  -0.65620
   D396       2.02949  -0.00001   0.00044   0.00011   0.00055   2.03004
   D397      -0.71605  -0.00001   0.00441  -0.00093   0.00348  -0.71257
   D398       2.22191  -0.00001   0.00060   0.00007   0.00067   2.22257
   D399      -0.52363   0.00000   0.00457  -0.00098   0.00360  -0.52004
   D400       2.48819  -0.00001   0.00043   0.00055   0.00098   2.48917
   D401      -0.25735   0.00000   0.00440  -0.00050   0.00391  -0.25344
   D402      -1.49583   0.00000  -0.00211   0.00084  -0.00127  -1.49710
   D403       2.04182   0.00001   0.00186  -0.00021   0.00165   2.04347
   D404      -2.60010   0.00000  -0.00148   0.00054  -0.00095  -2.60104
   D405       0.93755   0.00001   0.00249  -0.00051   0.00198   0.93953
   D406      -2.97092  -0.00001   0.00006   0.00007   0.00013  -2.97079
   D407       0.56672   0.00000   0.00404  -0.00098   0.00306   0.56979
   D408       1.87352   0.00001   0.00026   0.00115   0.00141   1.87493
   D409       2.36837   0.00001   0.00005   0.00045   0.00050   2.36887
   D410       2.59419   0.00000   0.00081   0.00084   0.00165   2.59584
   D411       2.81729   0.00000   0.00108   0.00084   0.00192   2.81921
   D412       2.79683  -0.00003  -0.00067  -0.00114  -0.00181   2.79501
   D413      -2.99884  -0.00002   0.00030  -0.00064  -0.00033  -2.99917
   D414      -0.79372   0.00001   0.00048   0.00118   0.00165  -0.79207
   D415      -0.41500   0.00001   0.00055   0.00134   0.00189  -0.41311
   D416      -0.10119   0.00000   0.00038   0.00104   0.00142  -0.09977
   D417       0.20680   0.00000   0.00037   0.00110   0.00147   0.20827
   D418      -0.28488   0.00001   0.00080   0.00181   0.00261  -0.28227
   D419       0.03041   0.00001   0.00076   0.00223   0.00298   0.03340
   D420      -2.59834   0.00000   0.00018   0.00065   0.00083  -2.59751
   D421      -2.21665   0.00000   0.00022   0.00070   0.00091  -2.21574
   D422      -1.97588   0.00000   0.00037   0.00045   0.00082  -1.97506
   D423      -1.66166   0.00000   0.00036   0.00053   0.00090  -1.66076
   D424      -1.99842   0.00000   0.00007   0.00100   0.00107  -1.99735
   D425       1.35040  -0.00001  -0.00211   0.00078  -0.00133   1.34908
   D426       2.49473   0.00000  -0.00205   0.00061  -0.00144   2.49329
   D427       2.95048   0.00001  -0.00111   0.00020  -0.00092   2.94956
   D428      -3.04907  -0.00008   0.00090  -0.00109  -0.00019  -3.04926
   D429       0.02527  -0.00005  -0.00080   0.00032  -0.00047   0.02480
   D430       0.06535  -0.00005   0.00129  -0.00113   0.00016   0.06551
   D431       3.13969  -0.00002  -0.00041   0.00029  -0.00012   3.13957
   D432      -0.13596   0.00005  -0.00097   0.00077  -0.00020  -0.13615
   D433       1.96332   0.00002  -0.00084   0.00055  -0.00028   1.96304
   D434      -2.23324   0.00007  -0.00099   0.00080  -0.00019  -2.23342
   D435       3.06944   0.00002   0.00063  -0.00056   0.00008   3.06952
   D436      -1.11447   0.00000   0.00077  -0.00078  -0.00001  -1.11448
   D437       0.97216   0.00004   0.00062  -0.00053   0.00009   0.97225
   D438      -2.35051  -0.00001  -0.00029  -0.00247  -0.00276  -2.35327
   D439      -0.25933  -0.00003  -0.00032  -0.00267  -0.00299  -0.26232
   D440       1.84809  -0.00002  -0.00040  -0.00267  -0.00307   1.84502
   D441       0.72708   0.00002  -0.00191  -0.00113  -0.00303   0.72405
   D442       2.81827  -0.00001  -0.00193  -0.00133  -0.00326   2.81501
   D443      -1.35750   0.00001  -0.00202  -0.00132  -0.00334  -1.36084
   D444      -0.00481   0.00001   0.00016   0.00007   0.00022  -0.00458
   D445       3.11590   0.00001   0.00014  -0.00009   0.00006   3.11596
   D446      -3.12478  -0.00001   0.00031  -0.00007   0.00024  -3.12454
   D447      -0.00407   0.00000   0.00030  -0.00022   0.00007  -0.00400
   D448       2.43681   0.00000   0.00226   0.00020   0.00246   2.43927
   D449      -1.76103   0.00000   0.00233   0.00016   0.00249  -1.75853
   D450       0.34717  -0.00001   0.00251   0.00019   0.00270   0.34987
   D451      -0.68492   0.00000   0.00227   0.00034   0.00262  -0.68230
   D452       1.40044   0.00000   0.00234   0.00031   0.00265   1.40308
   D453      -2.77455  -0.00001   0.00252   0.00034   0.00286  -2.77170
   D454       2.05969   0.00000  -0.00120  -0.00042  -0.00162   2.05807
   D455      -2.13875  -0.00001  -0.00107  -0.00049  -0.00156  -2.14031
   D456      -0.04538   0.00000  -0.00115  -0.00051  -0.00166  -0.04703
   D457      -1.10178   0.00000  -0.00122  -0.00057  -0.00178  -1.10356
   D458       0.98297   0.00000  -0.00108  -0.00064  -0.00172   0.98125
   D459       3.07634   0.00000  -0.00116  -0.00066  -0.00181   3.07452
   D460      -3.08118   0.00000  -0.00047  -0.00010  -0.00057  -3.08175
   D461      -0.02970   0.00000   0.00034   0.00030   0.00064  -0.02906
   D462       0.07391   0.00000  -0.00059  -0.00006  -0.00065   0.07326
   D463       3.12540   0.00001   0.00022   0.00034   0.00056   3.12596
   D464       1.93495   0.00000  -0.00006  -0.00011  -0.00017   1.93478
   D465      -2.26531  -0.00001   0.00014  -0.00021  -0.00007  -2.26538
   D466      -0.17213  -0.00001   0.00006  -0.00015  -0.00009  -0.17223
   D467      -1.12021  -0.00001  -0.00081  -0.00049  -0.00130  -1.12151
   D468       0.96272  -0.00001  -0.00061  -0.00060  -0.00121   0.96151
   D469       3.05590  -0.00001  -0.00069  -0.00054  -0.00123   3.05467
   D470      -1.64310   0.00001   0.00369   0.00030   0.00398  -1.63912
   D471       0.46127   0.00001   0.00369   0.00028   0.00397   0.46524
   D472       2.55360  -0.00001   0.00337   0.00016   0.00354   2.55714
   D473       1.41240   0.00001   0.00446   0.00068   0.00514   1.41754
   D474      -2.76640   0.00001   0.00446   0.00066   0.00512  -2.76128
   D475      -0.67408   0.00000   0.00414   0.00055   0.00469  -0.66939
   D476       0.00336   0.00000   0.00105   0.00004   0.00108   0.00445
   D477      -3.09170  -0.00003   0.00005  -0.00070  -0.00064  -3.09234
   D478       3.11932   0.00004   0.00141  -0.00001   0.00140   3.12072
   D479       0.02426   0.00001   0.00042  -0.00074  -0.00033   0.02394
   D480      -0.28477  -0.00001  -0.00606   0.00167  -0.00439  -0.28916
   D481       1.82109   0.00002  -0.00700   0.00195  -0.00505   1.81604
   D482      -2.37649  -0.00002  -0.00592   0.00150  -0.00443  -2.38093
   D483       2.81242   0.00002  -0.00513   0.00239  -0.00274   2.80967
   D484      -1.36490   0.00004  -0.00607   0.00266  -0.00340  -1.36831
   D485       0.72070   0.00000  -0.00499   0.00221  -0.00279   0.71791
   D486       0.01248   0.00002  -0.00321   0.00140  -0.00181   0.01067
   D487       2.10395   0.00001  -0.00286   0.00139  -0.00147   2.10248
   D488      -2.09346   0.00002  -0.00280   0.00134  -0.00146  -2.09493
   D489      -3.08484  -0.00001  -0.00412   0.00068  -0.00344  -3.08828
   D490      -0.99337  -0.00001  -0.00377   0.00067  -0.00310  -0.99648
   D491       1.09240   0.00000  -0.00372   0.00063  -0.00309   1.08931
         Item               Value     Threshold  Converged?
 Maximum Force            0.000082     0.000450     YES
 RMS     Force            0.000013     0.000300     YES
 Maximum Displacement     0.015937     0.001800     NO 
 RMS     Displacement     0.002154     0.001200     NO 
 Predicted change in Energy=-2.236800D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:39:55 2016, MaxMem=  2952790016 cpu:         9.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.851304   -0.609737    1.686777
      2          6           0       -2.125636    1.067752   -1.360026
      3          8           0       -2.660046    0.074703   -1.883703
      4          7           0       -0.833654    1.139296   -0.938062
      5          1           0       -2.688116    2.002392   -1.163349
      6          6           0       -0.322958    2.313434   -0.228760
      7          1           0       -1.079931    3.109920   -0.240097
      8          1           0       -0.086444    2.048246    0.814593
      9          1           0        0.595234    2.674559   -0.719349
     10          6           0        0.094251    0.016187   -1.094780
     11          1           0        0.653096   -0.125507   -0.156489
     12          1           0       -0.472450   -0.895500   -1.324702
     13          1           0        0.812013    0.220800   -1.906141
     14          6           0       -1.979859   -4.034357    2.609836
     15          8           0       -2.123922   -3.889409    3.835901
     16          7           0       -2.909112   -3.730395    1.663427
     17          1           0       -1.038109   -4.418189    2.169931
     18          6           0       -4.221725   -3.186457    2.021009
     19          1           0       -4.491331   -2.402925    1.295256
     20          1           0       -4.991494   -3.975648    1.993446
     21          1           0       -4.175482   -2.754156    3.029060
     22          6           0       -2.639040   -3.905622    0.236029
     23          1           0       -3.336157   -4.641899   -0.196681
     24          1           0       -2.774457   -2.944487   -0.287245
     25          1           0       -1.605731   -4.252409    0.095357
     26          6           0        1.530313    0.378432    2.623131
     27          8           0        1.357454    1.394638    3.317181
     28          7           0        1.155088   -0.884364    2.965014
     29          1           0        2.010650    0.422049    1.625759
     30          6           0        1.466374   -2.033769    2.114882
     31          1           0        2.216359   -2.679140    2.602389
     32          1           0        0.554928   -2.628836    1.944216
     33          1           0        1.854997   -1.682670    1.149183
     34          6           0        0.518297   -1.164367    4.254431
     35          1           0        1.269613   -1.467966    5.003419
     36          1           0       -0.002000   -0.263737    4.604093
     37          1           0       -0.203869   -1.983749    4.125711
     38          6           0       -4.573623    1.278335    2.897629
     39          8           0       -4.811425    1.933709    1.869106
     40          7           0       -3.479350    1.421450    3.694719
     41          1           0       -5.249149    0.473068    3.251279
     42          6           0       -2.437055    2.408995    3.403505
     43          1           0       -2.536149    2.744721    2.363206
     44          1           0       -2.526020    3.274574    4.081060
     45          1           0       -1.448845    1.945931    3.549169
     46          6           0       -3.260122    0.557099    4.854698
     47          1           0       -4.079827   -0.170508    4.933343
     48          1           0       -2.306239    0.015775    4.741061
     49          1           0       -3.213269    1.159864    5.776475
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.488873   0.000000
     3  O    3.724358   1.243373   0.000000
     4  N    3.314289   1.361025   2.315881   0.000000
     5  H    3.955589   1.108430   2.058077   2.057843   0.000000
     6  C    3.814453   2.465996   3.634932   1.463735   2.562065
     7  H    4.259543   2.553075   3.796149   2.105033   2.159924
     8  H    3.307614   3.138254   4.218898   2.110998   3.268494
     9  H    4.749904   3.224194   4.325716   2.108693   3.380729
    10  C    3.451669   2.470636   2.865655   1.465244   3.419251
    11  H    3.147083   3.254799   3.741693   2.102620   4.087226
    12  H    3.324440   2.566832   2.457509   2.102464   3.651436
    13  H    4.548857   3.105695   3.475204   2.118733   3.997087
    14  C    3.549167   6.466264   6.126901   6.377151   7.154082
    15  O    3.930561   7.181302   6.979648   7.052900   7.747524
    16  N    3.295149   5.725147   5.207968   5.898234   6.395650
    17  H    3.924160   6.613536   6.264879   6.370798   7.420049
    18  C    3.517115   5.824370   5.321728   6.240776   6.278236
    19  H    3.215362   4.969168   4.426965   5.560004   5.357531
    20  H    4.613480   6.700358   6.072337   7.214155   7.141979
    21  H    3.435413   6.170326   5.868069   6.485742   6.512549
    22  C    3.686198   5.248373   4.509622   5.485354   6.071679
    23  H    4.691539   5.951373   5.054651   6.343058   6.745443
    24  H    3.193749   4.203557   3.417203   4.568103   5.024602
    25  H    3.982710   5.540086   4.873618   5.543875   6.471354
    26  C    3.645350   5.450382   6.161405   4.341584   5.896594
    27  O    4.119692   5.840807   6.703113   4.793041   6.067219
    28  N    3.278370   5.768871   6.243806   4.825381   6.336163
    29  H    3.997874   5.142052   5.852553   3.895855   5.688146
    30  C    3.635675   5.881917   6.120595   4.967791   6.655613
    31  H    4.654746   6.970857   7.175514   6.034718   7.755733
    32  H    3.151665   5.636329   5.683146   4.943128   6.451555
    33  H    3.895750   5.450357   5.715975   4.421417   6.290259
    34  C    3.537722   6.595064   7.022382   5.839232   7.047112
    35  H    4.634307   7.645326   8.078026   6.820759   8.107776
    36  H    3.471366   6.469421   7.019348   5.777165   6.753810
    37  H    3.248131   6.564918   6.810513   5.982628   7.073539
    38  C    3.527322   4.915752   5.288823   5.359033   4.535520
    39  O    3.907003   4.288431   4.708281   4.932945   3.702559
    40  N    3.287565   5.244816   5.796877   5.342470   4.956246
    41  H    3.894288   5.601261   5.764563   6.122993   5.327914
    42  C    3.521789   4.958543   5.783875   4.799191   4.591788
    43  H    3.489836   4.104048   5.018026   4.046511   3.607041
    44  H    4.612559   5.885218   6.770194   5.710963   5.398940
    45  H    3.187776   5.032836   5.872359   4.600474   4.873070
    46  C    3.658142   6.338030   6.782245   6.307359   6.215542
    47  H    3.962250   6.705120   6.967641   6.835687   6.620272
    48  H    3.150696   6.193750   6.634467   5.973546   6.241357
    49  H    4.659621   7.219493   7.756413   7.123763   7.010477
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098875   0.000000
     8  H    1.102202   1.796257   0.000000
     9  H    1.101891   1.795939   1.791628   0.000000
    10  C    2.490260   3.417655   2.794212   2.731093   0.000000
    11  H    2.627991   3.671289   2.493015   2.856664   1.101261
    12  H    3.394215   4.193899   3.659402   3.775145   1.097811
    13  H    2.912195   3.834340   3.398408   2.734300   1.102431
    14  C    7.148245   7.744203   6.618609   7.919856   5.867965
    15  O    7.631527   8.166657   6.966733   8.439774   6.669751
    16  N    6.840792   7.332067   6.486961   7.679941   5.537578
    17  H    7.181915   7.904581   6.675132   7.830888   5.621767
    18  C    7.107085   7.391065   6.779241   8.066236   6.212304
    19  H    6.476264   6.662313   6.280684   7.464088   5.708935
    20  H    8.141620   8.396089   7.857258   9.099232   7.164963
    21  H    7.150931   7.393052   6.684846   8.141330   6.550685
    22  C    6.652588   7.202454   6.503770   7.394055   4.962108
    23  H    7.580044   8.073608   7.506088   8.322233   5.854234
    24  H    5.801638   6.287248   5.776404   6.566217   4.200856
    25  H    6.697825   7.388700   6.521027   7.313746   4.746291
    26  C    3.913072   4.740514   2.944995   4.161579   4.002044
    27  O    4.030095   4.640826   2.962261   4.302644   4.791785
    28  N    4.755074   5.587696   3.842644   5.153047   4.291653
    29  H    3.530199   4.500862   2.774943   3.546369   3.352407
    30  C    5.252861   6.203800   4.556846   5.564180   4.048083
    31  H    6.276092   7.242822   5.554034   6.505696   5.043529
    32  H    5.469785   6.354314   4.854123   5.934829   4.055104
    33  H    4.755109   5.789026   4.219109   4.905492   3.319896
    34  C    5.736011   6.405049   4.745428   6.283451   5.494322
    35  H    6.649133   7.346554   5.634617   7.096857   6.385313
    36  H    5.486465   6.000806   4.439899   6.109771   5.706555
    37  H    6.118937   6.765592   5.218647   6.768530   5.598406
    38  C    5.377164   5.040428   5.006653   6.461351   6.270677
    39  O    4.969061   4.444801   4.842578   6.039943   6.043771
    40  N    5.113916   4.908251   4.494420   6.136490   6.138785
    41  H    6.305948   6.043598   5.922174   7.400626   6.902818
    42  C    4.203795   3.950813   3.515391   5.124766   5.689253
    43  H    3.435479   3.005184   2.980660   4.394614   5.130455
    44  H    4.934757   4.559680   4.257372   5.757271   6.653737
    45  H    3.959221   3.981144   3.056879   4.788466   5.260353
    46  C    6.128067   6.101399   5.349598   7.100522   6.851328
    47  H    6.850645   6.820928   6.150941   7.867879   7.334578
    48  H    5.823381   5.990785   4.947280   6.730806   6.310260
    49  H    6.763688   6.674803   5.931823   7.680802   7.711149
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795680   0.000000
    13  H    1.790660   1.798344   0.000000
    14  C    5.464807   5.254074   6.804039   0.000000
    15  O    6.149631   6.190531   7.647521   1.242980   0.000000
    16  N    5.384852   4.785694   6.496193   1.360733   2.315481
    17  H    5.167158   4.994173   6.446513   1.108033   2.057681
    18  C    6.154251   5.522620   7.236742   2.468120   2.861600
    19  H    5.810278   5.028709   6.727431   3.270655   3.777452
    20  H    7.162905   6.396810   8.154609   3.074627   3.409553
    21  H    6.353951   6.010182   7.621133   2.575932   2.479656
    22  C    5.028071   4.023783   5.790165   2.466992   3.636577
    23  H    6.026073   4.848583   6.616299   3.175719   4.277555
    24  H    4.439805   3.251754   5.050013   3.195665   4.279767
    25  H    4.711374   3.817032   5.464529   2.551493   3.793673
    26  C    2.957998   4.606446   4.588584   5.638634   5.747931
    27  O    3.856597   5.490023   5.381309   6.411863   6.349032
    28  N    3.251405   4.588100   5.006719   4.458307   4.532179
    29  H    2.306334   4.075161   3.735177   6.062353   6.369308
    30  C    3.076038   4.109189   4.656168   4.015452   4.392667
    31  H    4.071392   5.082628   5.541541   4.409639   4.671653
    32  H    3.269443   3.840024   4.797058   2.973833   3.513367
    33  H    2.360953   3.486654   3.747802   4.729700   5.283933
    34  C    4.533610   5.672794   6.321203   4.145156   3.818683
    35  H    5.367210   6.588446   7.127647   4.782747   4.329268
    36  H    4.807432   5.980891   6.578795   4.701762   4.270617
    37  H    4.746018   5.564479   6.501945   3.107573   2.720686
    38  C    6.214258   6.274812   7.293809   5.919049   5.795427
    39  O    6.180970   6.085354   6.986386   6.647124   6.708179
    40  N    5.856790   6.293194   7.157303   5.761187   5.482914
    41  H    6.841613   6.754956   7.962430   5.605050   5.398151
    42  C    5.352223   6.093874   6.598255   6.508128   6.320990
    43  H    4.975777   5.577699   5.983952   6.806334   6.808116
    44  H    6.294771   7.129441   7.504303   7.475511   7.179446
    45  H    4.737184   5.725530   6.152069   6.076855   5.881253
    46  C    6.394625   6.932975   7.899640   5.268771   4.701099
    47  H    6.950465   7.259608   8.417942   4.973719   4.342830
    48  H    5.723951   6.402084   7.345122   4.588269   4.012856
    49  H    7.197292   7.884372   8.723950   6.207160   5.517940
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056760   0.000000
    18  C    1.465158   3.416834   0.000000
    19  H    2.097890   4.092810   1.101512   0.000000
    20  H    2.122587   3.981990   1.102781   1.791952   0.000000
    21  H    2.102781   3.653795   1.097811   1.796997   1.797335
    22  C    1.463253   2.562359   2.491635   2.609798   2.937254
    23  H    2.114996   3.306347   2.796550   2.928022   2.825011
    24  H    2.107345   3.350286   2.735173   2.396926   3.343665
    25  H    2.104790   2.157205   3.418744   3.631396   3.891365
    26  C    6.124703   5.459831   6.793890   6.764569   7.866924
    27  O    6.870549   6.390920   7.334422   7.260713   8.420296
    28  N    5.129497   4.234405   5.924602   6.080803   6.948414
    29  H    6.438033   5.746212   7.212492   7.096863   8.276772
    30  C    4.714576   3.458456   5.804479   6.025140   6.744605
    31  H    5.315754   3.715222   6.484158   6.839444   7.348802
    32  H    3.645799   2.406345   4.809704   5.092830   5.707812
    33  H    5.210985   4.110359   6.320445   6.388739   7.269455
    34  C    5.004491   4.165920   5.616479   5.948707   6.585830
    35  H    5.808259   4.696600   6.480955   6.914702   7.385788
    36  H    5.395974   4.925255   5.746364   5.973159   6.744540
    37  H    4.053635   3.232264   4.692488   5.154562   5.606743
    38  C    5.420446   6.743871   4.563625   4.015725   5.347570
    39  O    5.978559   7.394256   5.156251   4.386132   5.913407
    40  N    5.567120   6.510454   4.958350   4.626810   5.857438
    41  H    5.066177   6.544201   3.995158   3.559726   4.630292
    42  C    6.398657   7.077372   6.033691   5.640863   7.019764
    43  H    6.523490   7.320434   6.175528   5.609056   7.164412
    44  H    7.420330   8.065041   6.990290   6.622472   7.937406
    45  H    6.157035   6.524801   6.030386   5.766228   7.073594
    46  C    5.356307   6.074439   4.792566   4.790328   5.632957
    47  H    4.973502   5.910270   4.194970   4.288204   4.894203
    48  H    4.885599   5.280047   4.617582   4.743238   5.539985
    49  H    6.397211   6.989503   5.831896   5.865852   6.621697
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389329   0.000000
    23  H    3.830593   1.102413   0.000000
    24  H    3.605131   1.102694   1.790228   0.000000
    25  H    4.177917   1.098988   1.797599   1.795261   0.000000
    26  C    6.521809   6.436993   7.539072   6.167911   6.137516
    27  O    6.921625   7.318348   8.415283   6.992323   7.144911
    28  N    5.649355   5.565138   6.654823   5.501147   5.215436
    29  H    7.094066   6.502284   7.586383   6.155518   6.104990
    30  C    5.760662   4.887570   5.933799   4.958253   4.294028
    31  H    6.406506   5.538846   6.520556   5.773096   4.834124
    32  H    4.854830   3.840510   4.876106   4.020430   3.274556
    33  H    6.406927   5.096247   6.125069   5.008728   4.437426
    34  C    5.104952   5.799208   6.838307   5.885395   5.598695
    35  H    5.933081   6.629310   7.637278   6.820978   6.333230
    36  H    5.108902   6.268756   7.302900   6.228814   6.229780
    37  H    4.191644   4.975267   5.963226   5.196645   4.832783
    38  C    4.054230   6.140044   6.793766   5.586828   6.873881
    39  O    4.870934   6.440806   7.048583   5.709280   7.189625
    40  N    4.285253   6.406743   7.206088   5.950993   6.975566
    41  H    3.408389   5.922612   6.458394   5.506808   6.750145
    42  C    5.460812   7.067396   7.967737   6.511163   7.483932
    43  H    5.776541   6.983017   7.858447   6.280826   7.414084
    44  H    6.338219   8.145689   9.034707   7.603981   8.566693
    45  H    5.458561   6.828919   7.809792   6.355431   7.097383
    46  C    3.890405   6.452420   7.249262   6.239916   6.965608
    47  H    3.211025   6.171848   6.845695   6.054212   6.796261
    48  H    3.754669   5.981925   6.865563   5.853737   6.347493
    49  H    4.877878   7.528972   8.327914   7.335322   8.009492
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242683   0.000000
    28  N    1.361004   2.314914   0.000000
    29  H    1.107871   2.057548   2.057257   0.000000
    30  C    2.465993   3.634744   1.463131   2.562522   0.000000
    31  H    3.133662   4.224253   2.116368   3.257836   1.103016
    32  H    3.233568   4.326364   2.108412   3.395356   1.101801
    33  H    2.554620   3.797050   2.103427   2.163607   1.098579
    34  C    2.462833   2.851514   1.465095   3.413759   2.496473
    35  H    3.023727   3.323495   2.123395   3.940797   2.949999
    36  H    2.585455   2.500893   2.100146   3.659445   3.388998
    37  H    3.293180   3.808537   2.098245   4.116032   2.614507
    38  C    6.176019   5.947035   6.123720   6.760439   6.932842
    39  O    6.573057   6.359448   6.688933   6.991784   7.430481
    40  N    5.228089   4.851590   5.227549   5.951428   6.236554
    41  H    6.809158   6.670894   6.552772   7.439731   7.257677
    42  C    4.524620   3.928698   4.893055   5.185597   6.052723
    43  H    4.712006   4.230004   5.211302   5.158684   6.238255
    44  H    5.192979   4.381671   5.665058   5.894640   6.927017
    45  H    3.491416   2.869330   3.890023   4.241442   5.137479
    46  C    5.287730   4.938364   5.014261   6.182664   6.046400
    47  H    6.091969   5.884359   5.638107   6.955943   6.494290
    48  H    4.397304   4.165494   3.993167   5.339073   5.032897
    49  H    5.749416   5.195648   5.582627   6.712834   6.745785
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787757   0.000000
    33  H    1.798706   1.793736   0.000000
    34  C    2.811973   2.735526   3.420230   0.000000
    35  H    2.851003   3.349197   3.904345   1.103463   0.000000
    36  H    3.842149   3.602612   4.171117   1.097319   1.796282
    37  H    2.943057   2.398089   3.631708   1.099763   1.790964
    38  C    7.864645   6.517440   7.290527   5.808215   6.791165
    39  O    8.438354   7.044161   7.618246   6.610128   7.640310
    40  N    7.102754   5.978668   6.676120   4.793841   5.710872
    41  H    8.129654   6.709510   7.715887   6.078728   7.023664
    42  C    6.941554   6.038313   6.343927   4.714563   5.597315
    43  H    7.215387   6.213327   6.352780   5.309176   6.261093
    44  H    7.753924   6.993468   7.236262   5.385362   6.144043
    45  H    5.976738   5.245901   5.462788   3.747132   4.599951
    46  C    6.748184   5.759835   6.701631   4.195262   4.964021
    47  H    7.167185   6.038146   7.199211   4.753044   5.504981
    48  H    5.682462   4.796101   5.753450   3.099604   3.880339
    49  H    7.368421   6.575695   7.428267   4.652231   5.253507
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796675   0.000000
    38  C    5.117592   5.589644   0.000000
    39  O    5.953108   6.455099   1.242548   0.000000
    40  N    3.969732   4.744460   1.361348   2.317261   0.000000
    41  H    5.468597   5.679386   1.108990   2.058028   2.056273
    42  C    3.809777   4.980452   2.469660   2.866689   1.465069
    43  H    4.527064   5.559171   2.566553   2.465513   2.100857
    44  H    4.377657   5.748420   3.094859   3.451627   2.119473
    45  H    2.844092   4.162301   3.261047   3.758950   2.102193
    46  C    3.369263   4.040793   2.464870   3.635293   1.463118
    47  H    4.092160   4.354671   2.546980   3.788470   2.104540
    48  H    2.325167   2.965924   3.183289   4.266445   2.108778
    49  H    3.703156   4.654439   3.186275   4.291907   2.114930
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417434   0.000000
    43  H    3.648212   1.097613   0.000000
    44  H    3.994046   1.102825   1.797739   0.000000
    45  H    4.086609   1.101002   1.796331   1.791230   0.000000
    46  C    2.556216   2.492573   3.393724   2.919262   2.629446
    47  H    2.147287   3.419493   4.181758   3.874182   3.649290
    48  H    3.330058   2.744754   3.626872   3.332218   2.425126
    49  H    3.315585   2.791742   3.823698   2.796201   2.948217
                   46         47         48         49
    46  C    0.000000
    47  H    1.098868   0.000000
    48  H    1.102651   1.793680   0.000000
    49  H    1.102358   1.797688   1.789896   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2140922      0.1927466      0.1852198
 Leave Link  202 at Mon Nov 14 01:39:55 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.4392015886 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843182191 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.2548833695 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4033
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.22D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     217
 GePol: Fraction of low-weight points (<1% of avg)   =       5.38%
 GePol: Cavity surface area                          =    465.994 Ang**2
 GePol: Cavity volume                                =    457.844 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039767667 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.2509066027 Hartrees.
 Leave Link  301 at Mon Nov 14 01:39:56 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37512.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:39:57 2016, MaxMem=  2952790016 cpu:        13.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:39:57 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000681    0.001121    0.000719
         Rot=    1.000000   -0.000129    0.000024   -0.000106 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 01:39:58 2016, MaxMem=  2952790016 cpu:         8.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48795267.
 Iteration    1 A*A^-1 deviation from unit magnitude is 7.99D-15 for   3164.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.01D-14 for   2037    871.
 Iteration    1 A^-1*A deviation from unit magnitude is 7.99D-15 for   3396.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.04D-11 for   2798   1883.
 E= -1013.45119393614    
 DIIS: error= 1.75D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45119393614     IErMin= 1 ErrMin= 1.75D-04
 ErrMax= 1.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-05 BMatP= 3.34D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.75D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.99D-05 MaxDP=9.85D-04              OVMax= 1.28D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.99D-05    CP:  1.00D+00
 E= -1013.45124597988     Delta-E=       -0.000052043741 Rises=F Damp=F
 DIIS: error= 2.57D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45124597988     IErMin= 2 ErrMin= 2.57D-05
 ErrMax= 2.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-07 BMatP= 3.34D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.247D-01 0.975D+00
 Coeff:      0.247D-01 0.975D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.39D-06 MaxDP=4.10D-04 DE=-5.20D-05 OVMax= 5.01D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.31D-06    CP:  1.00D+00  9.71D-01
 E= -1013.45124385370     Delta-E=        0.000002126183 Rises=F Damp=F
 DIIS: error= 7.22D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45124597988     IErMin= 2 ErrMin= 2.57D-05
 ErrMax= 7.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-06 BMatP= 6.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.290D-02 0.704D+00 0.293D+00
 Coeff:      0.290D-02 0.704D+00 0.293D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.87D-06 MaxDP=3.27D-04 DE= 2.13D-06 OVMax= 4.39D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.94D-06    CP:  1.00D+00  9.81D-01  2.97D-01
 E= -1013.45124643447     Delta-E=       -0.000002580770 Rises=F Damp=F
 DIIS: error= 1.30D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45124643447     IErMin= 4 ErrMin= 1.30D-05
 ErrMax= 1.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-07 BMatP= 6.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.205D-04 0.298D+00 0.180D+00 0.522D+00
 Coeff:      0.205D-04 0.298D+00 0.180D+00 0.522D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=7.56D-05 DE=-2.58D-06 OVMax= 1.06D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.02D-07    CP:  1.00D+00  9.82D-01  3.44D-01  5.80D-01
 E= -1013.45124650811     Delta-E=       -0.000000073641 Rises=F Damp=F
 DIIS: error= 7.75D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45124650811     IErMin= 5 ErrMin= 7.75D-06
 ErrMax= 7.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-08 BMatP= 1.02D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.358D-04 0.143D+00 0.982D-01 0.365D+00 0.394D+00
 Coeff:     -0.358D-04 0.143D+00 0.982D-01 0.365D+00 0.394D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.21D-07 MaxDP=3.06D-05 DE=-7.36D-08 OVMax= 3.15D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.75D-07    CP:  1.00D+00  9.83D-01  3.37D-01  6.10D-01  5.71D-01
 E= -1013.45124652475     Delta-E=       -0.000000016639 Rises=F Damp=F
 DIIS: error= 3.01D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45124652475     IErMin= 6 ErrMin= 3.01D-07
 ErrMax= 3.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.21D-11 BMatP= 1.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D-04 0.434D-01 0.308D-01 0.119D+00 0.145D+00 0.662D+00
 Coeff:     -0.215D-04 0.434D-01 0.308D-01 0.119D+00 0.145D+00 0.662D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.03D-08 MaxDP=2.10D-06 DE=-1.66D-08 OVMax= 2.76D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.53D-08    CP:  1.00D+00  9.83D-01  3.38D-01  6.13D-01  5.70D-01
                    CP:  9.09D-01
 E= -1013.45124652483     Delta-E=       -0.000000000084 Rises=F Damp=F
 DIIS: error= 1.99D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45124652483     IErMin= 7 ErrMin= 1.99D-07
 ErrMax= 1.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-11 BMatP= 9.21D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-04 0.892D-02 0.672D-02 0.273D-01 0.382D-01 0.377D+00
 Coeff-Com:  0.542D+00
 Coeff:     -0.118D-04 0.892D-02 0.672D-02 0.273D-01 0.382D-01 0.377D+00
 Coeff:      0.542D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.48D-08 MaxDP=8.86D-07 DE=-8.37D-11 OVMax= 9.78D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.04D-09    CP:  1.00D+00  9.83D-01  3.38D-01  6.14D-01  5.71D-01
                    CP:  9.16D-01  6.85D-01
 E= -1013.45124652487     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 4.14D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45124652487     IErMin= 8 ErrMin= 4.14D-08
 ErrMax= 4.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-12 BMatP= 2.64D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.643D-05 0.340D-02 0.266D-02 0.108D-01 0.160D-01 0.185D+00
 Coeff-Com:  0.304D+00 0.478D+00
 Coeff:     -0.643D-05 0.340D-02 0.266D-02 0.108D-01 0.160D-01 0.185D+00
 Coeff:      0.304D+00 0.478D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.16D-09 MaxDP=2.56D-07 DE=-3.27D-11 OVMax= 5.03D-07

 Error on total polarization charges =  0.04296
 SCF Done:  E(RB97D) =  -1013.45124652     A.U. after    8 cycles
            NFock=  8  Conv=0.52D-08     -V/T= 2.0213
 KE= 9.923500829904D+02 PE=-6.027987513852D+03 EE= 2.173935277734D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:41:35 2016, MaxMem=  2952790016 cpu:      1103.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37512.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 01:41:43 2016, MaxMem=  2952790016 cpu:        96.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:41:43 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:42:20 2016, MaxMem=  2952790016 cpu:       440.7
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.27644375D+00-2.70180238D+00 3.28863050D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000161017   -0.000138461    0.000077231
      2        6           0.000106369   -0.000014597   -0.000028235
      3        8           0.000015829    0.000093407   -0.000080230
      4        7           0.000030310    0.000083938    0.000248292
      5        1          -0.000002488    0.000013906    0.000069160
      6        6           0.000136456   -0.000100361   -0.000021395
      7        1          -0.000024220   -0.000005600    0.000063319
      8        1           0.000029832    0.000004658   -0.000051916
      9        1          -0.000037764    0.000095479   -0.000025985
     10        6          -0.000027650    0.000139726   -0.000031235
     11        1           0.000008247    0.000020461   -0.000011389
     12        1           0.000016327    0.000023539    0.000012261
     13        1           0.000020579    0.000027482    0.000013313
     14        6          -0.000024150    0.000014134   -0.000007604
     15        8          -0.000010451   -0.000033122   -0.000032544
     16        7          -0.000038560    0.000008893   -0.000009978
     17        1          -0.000005162   -0.000003195   -0.000030204
     18        6           0.000020170    0.000045433   -0.000017934
     19        1          -0.000023793    0.000034826    0.000005016
     20        1          -0.000005672    0.000001387   -0.000048366
     21        1          -0.000041596   -0.000028591   -0.000018775
     22        6          -0.000018178    0.000000447    0.000026941
     23        1           0.000002165    0.000037767   -0.000068487
     24        1          -0.000018542    0.000037532   -0.000028664
     25        1           0.000005241    0.000021114   -0.000033564
     26        6          -0.000024420   -0.000024003    0.000034210
     27        8           0.000007912   -0.000022809    0.000034016
     28        7           0.000021868    0.000023394   -0.000016236
     29        1          -0.000012424   -0.000005802    0.000014530
     30        6           0.000032509    0.000028341    0.000001707
     31        1          -0.000001470   -0.000024081   -0.000016522
     32        1           0.000024188    0.000022114    0.000018993
     33        1          -0.000016396    0.000011539    0.000003010
     34        6           0.000007918   -0.000081932   -0.000001572
     35        1          -0.000020111   -0.000020426    0.000005807
     36        1          -0.000021333   -0.000029555    0.000015545
     37        1          -0.000009423   -0.000013327   -0.000012643
     38        6          -0.000085105   -0.000084441    0.000018684
     39        8          -0.000027619    0.000039601   -0.000044115
     40        7          -0.000042161   -0.000082982   -0.000129351
     41        1          -0.000016325    0.000017925   -0.000024208
     42        6          -0.000210898    0.000027807   -0.000081895
     43        1           0.000031513   -0.000039788    0.000051052
     44        1           0.000154697   -0.000027378    0.000067085
     45        1           0.000017080   -0.000046954    0.000064920
     46        6          -0.000086269    0.000070655    0.000097267
     47        1          -0.000024428   -0.000042204   -0.000037973
     48        1           0.000040278   -0.000041517   -0.000034017
     49        1          -0.000013901   -0.000034377    0.000002680
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000248292 RMS     0.000054916
 Leave Link  716 at Mon Nov 14 01:42:20 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000098031 RMS     0.000013661
 Search for a local minimum.
 Step number  32 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .13661D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   24   25   26   27   28
                                                     29   30   31   32
 DE= -3.58D-06 DEPred=-2.24D-06 R= 1.60D+00
 TightC=F SS=  1.41D+00  RLast= 6.22D-02 DXNew= 2.2445D+00 1.8652D-01
 Trust test= 1.60D+00 RLast= 6.22D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00031   0.00077   0.00106   0.00139   0.00238
     Eigenvalues ---    0.00352   0.00370   0.00431   0.00512   0.00584
     Eigenvalues ---    0.00680   0.00708   0.00774   0.00806   0.00876
     Eigenvalues ---    0.00912   0.01016   0.01024   0.01087   0.01158
     Eigenvalues ---    0.01204   0.01270   0.01319   0.01350   0.01519
     Eigenvalues ---    0.01559   0.01624   0.01645   0.01700   0.01776
     Eigenvalues ---    0.01800   0.01869   0.01885   0.01950   0.01965
     Eigenvalues ---    0.02115   0.02144   0.02254   0.02350   0.02405
     Eigenvalues ---    0.02599   0.02691   0.02975   0.03082   0.03630
     Eigenvalues ---    0.03918   0.04358   0.04405   0.04749   0.04911
     Eigenvalues ---    0.05467   0.05661   0.05957   0.06138   0.06350
     Eigenvalues ---    0.06515   0.06733   0.07138   0.07354   0.07505
     Eigenvalues ---    0.07718   0.07807   0.07970   0.08206   0.08261
     Eigenvalues ---    0.08277   0.08440   0.08574   0.08751   0.08822
     Eigenvalues ---    0.08887   0.09107   0.09308   0.09649   0.09849
     Eigenvalues ---    0.09862   0.10014   0.10243   0.10252   0.10384
     Eigenvalues ---    0.10511   0.10590   0.10630   0.10733   0.11270
     Eigenvalues ---    0.11327   0.11368   0.11624   0.12139   0.13238
     Eigenvalues ---    0.13500   0.14253   0.14594   0.15194   0.15320
     Eigenvalues ---    0.15623   0.16487   0.22044   0.23179   0.23809
     Eigenvalues ---    0.24174   0.24469   0.25311   0.25817   0.26647
     Eigenvalues ---    0.27019   0.27780   0.28578   0.29293   0.29732
     Eigenvalues ---    0.29868   0.29999   0.32723   0.32735   0.32821
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33416   0.33426   0.33451   0.33491   0.33689
     Eigenvalues ---    0.33793   0.33830   0.33834   0.33915   0.33949
     Eigenvalues ---    0.34002   0.34012   0.34185   0.37297   0.39347
     Eigenvalues ---    0.40588   0.41375   0.85936   0.85991   0.86082
     Eigenvalues ---    0.87387
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    32   31   30   29   28
 RFO step:  Lambda=-6.41413955D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  8.53D-06 SmlDif=  1.00D-05
 RMS Error=  0.8069787545D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.98770   -2.08812   -1.58847    1.60762    0.08128
 Iteration  1 RMS(Cart)=  0.00218921 RMS(Int)=  0.00003206
 Iteration  2 RMS(Cart)=  0.00000718 RMS(Int)=  0.00002758
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002758
 ITry= 1 IFail=0 DXMaxC= 2.33D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59301  -0.00001   0.00601   0.00003   0.00604   6.59905
    R2        6.26310   0.00000  -0.00212  -0.00010  -0.00218   6.26092
    R3        7.20827  -0.00002  -0.00418   0.00110  -0.00304   7.20523
    R4        6.25048   0.00002  -0.00052   0.00318   0.00264   6.25313
    R5        6.52271   0.00004   0.00251   0.00085   0.00341   6.52612
    R6        5.94712   0.00004   0.00410   0.00198   0.00604   5.95317
    R7        6.70695   0.00001   0.00126  -0.00045   0.00081   6.70776
    R8        6.22693   0.00000  -0.00006  -0.00002  -0.00008   6.22685
    R9        6.64638   0.00001  -0.00033   0.00024  -0.00008   6.64630
   R10        6.07615   0.00000   0.00229   0.00007   0.00236   6.07851
   R11        6.96590  -0.00002   0.00030  -0.00031  -0.00003   6.96588
   R12        6.03531  -0.00001   0.00033  -0.00019   0.00015   6.03546
   R13        6.88871  -0.00002  -0.00099  -0.00001  -0.00100   6.88772
   R14        6.19522   0.00001  -0.00009  -0.00018  -0.00027   6.19496
   R15        6.87043   0.00000   0.00000   0.00013   0.00014   6.87057
   R16        5.95578   0.00000   0.00107   0.00061   0.00168   5.95747
   R17        6.68533   0.00003  -0.00191  -0.00054  -0.00244   6.68288
   R18        6.66567   0.00004   0.01014  -0.00006   0.01007   6.67574
   R19        6.21260  -0.00002  -0.00174  -0.00060  -0.00228   6.21032
   R20        6.65522  -0.00003   0.00260  -0.00151   0.00114   6.65636
   R21        6.02402  -0.00003  -0.00163  -0.00192  -0.00360   6.02042
   R22        6.91289   0.00001  -0.00532   0.00048  -0.00476   6.90813
   R23        5.95395  -0.00003  -0.00384  -0.00012  -0.00403   5.94993
   R24        2.34964  -0.00001  -0.00008   0.00001  -0.00008   2.34956
   R25        2.57196  -0.00001   0.00009  -0.00011  -0.00008   2.57188
   R26        2.09463   0.00001   0.00007  -0.00004   0.00003   2.09466
   R27        2.76606  -0.00010  -0.00041   0.00006  -0.00043   2.76562
   R28        2.76891  -0.00005  -0.00019   0.00002  -0.00023   2.76868
   R29        2.07657   0.00001   0.00006  -0.00002   0.00004   2.07661
   R30        2.08286  -0.00004  -0.00039   0.00010  -0.00026   2.08260
   R31        2.08227   0.00001   0.00010   0.00002   0.00012   2.08240
   R32        2.08108   0.00001   0.00007   0.00000   0.00006   2.08114
   R33        2.07456   0.00000   0.00004   0.00002   0.00006   2.07462
   R34        2.08329   0.00000   0.00002   0.00003   0.00005   2.08334
   R35        2.34889   0.00000   0.00002  -0.00002   0.00000   2.34889
   R36        2.57141   0.00000  -0.00003   0.00000  -0.00008   2.57133
   R37        2.09388   0.00000   0.00002   0.00000   0.00002   2.09390
   R38        2.76875  -0.00001   0.00001  -0.00001  -0.00001   2.76874
   R39        2.76515   0.00000  -0.00003  -0.00001  -0.00010   2.76505
   R40        2.08156   0.00000  -0.00002   0.00002  -0.00001   2.08155
   R41        2.08395   0.00000   0.00002  -0.00001   0.00002   2.08397
   R42        2.07456   0.00000   0.00000  -0.00001  -0.00001   2.07455
   R43        2.08326   0.00000  -0.00001   0.00001   0.00000   2.08326
   R44        2.08379   0.00001  -0.00005   0.00001   0.00008   2.08386
   R45        2.07679   0.00000   0.00001  -0.00002  -0.00001   2.07678
   R46        2.34833  -0.00001   0.00005   0.00001   0.00006   2.34839
   R47        2.57192  -0.00003  -0.00014  -0.00003  -0.00017   2.57175
   R48        2.09357   0.00000   0.00001   0.00001   0.00002   2.09359
   R49        2.76492  -0.00001   0.00006  -0.00002   0.00003   2.76495
   R50        2.76863   0.00001   0.00021  -0.00003   0.00018   2.76881
   R51        2.08440   0.00000   0.00000   0.00000   0.00001   2.08440
   R52        2.08210  -0.00002   0.00000  -0.00003  -0.00006   2.08204
   R53        2.07601   0.00000   0.00003   0.00000   0.00002   2.07604
   R54        2.08524   0.00000  -0.00007   0.00000  -0.00007   2.08517
   R55        2.07363   0.00000   0.00000   0.00003   0.00004   2.07367
   R56        2.07825  -0.00001  -0.00007  -0.00001  -0.00008   2.07817
   R57        2.34807   0.00006   0.00002  -0.00001   0.00002   2.34809
   R58        2.57257   0.00003   0.00008  -0.00005   0.00001   2.57259
   R59        2.09569  -0.00002   0.00004  -0.00006  -0.00001   2.09568
   R60        2.76858   0.00004  -0.00005  -0.00008  -0.00020   2.76838
   R61        2.76489   0.00004  -0.00013   0.00010  -0.00009   2.76481
   R62        2.07419  -0.00004  -0.00018   0.00002  -0.00016   2.07402
   R63        2.08404   0.00000   0.00008   0.00001   0.00009   2.08412
   R64        2.08059   0.00002  -0.00017   0.00016  -0.00010   2.08049
   R65        2.07656   0.00002   0.00004   0.00000   0.00003   2.07659
   R66        2.08371   0.00005   0.00001  -0.00003  -0.00005   2.08366
   R67        2.08315   0.00000   0.00014  -0.00008   0.00006   2.08322
    A1        0.68328  -0.00001   0.00001  -0.00004  -0.00005   0.68323
    A2        0.95856  -0.00001   0.00048   0.00008   0.00055   0.95911
    A3        0.72783  -0.00002  -0.00063  -0.00008  -0.00072   0.72711
    A4        1.02055  -0.00001  -0.00058  -0.00012  -0.00070   1.01985
    A5        2.32982   0.00001   0.00039   0.00017   0.00056   2.33039
    A6        2.00857   0.00001   0.00030   0.00012   0.00043   2.00899
    A7        1.96302   0.00001  -0.00002   0.00003   0.00002   1.96305
    A8        1.66820   0.00001  -0.00028   0.00003  -0.00026   1.66794
    A9        1.64025   0.00001   0.00042   0.00012   0.00057   1.64083
   A10        1.35819   0.00001   0.00042   0.00011   0.00052   1.35871
   A11        1.73850  -0.00001   0.00018   0.00007   0.00028   1.73878
   A12        2.04079  -0.00001   0.00024   0.00008   0.00036   2.04115
   A13        1.94218  -0.00001   0.00028   0.00010   0.00040   1.94259
   A14        2.02572   0.00000   0.00066   0.00020   0.00088   2.02660
   A15        2.43700  -0.00001   0.00030   0.00008   0.00044   2.43744
   A16        1.55253  -0.00001  -0.00214  -0.00045  -0.00262   1.54991
   A17        1.76948  -0.00001  -0.00189  -0.00053  -0.00242   1.76705
   A18        1.57128  -0.00001  -0.00101  -0.00060  -0.00158   1.56970
   A19        1.70587   0.00000  -0.00126  -0.00056  -0.00176   1.70411
   A20        2.18049  -0.00001  -0.00158  -0.00055  -0.00212   2.17837
   A21        2.40351  -0.00001  -0.00150  -0.00034  -0.00183   2.40168
   A22        0.64890  -0.00002  -0.00006  -0.00010  -0.00016   0.64874
   A23        0.66095  -0.00001  -0.00006  -0.00010  -0.00017   0.66078
   A24        2.38372   0.00002   0.00082   0.00025   0.00108   2.38481
   A25        2.20525   0.00002   0.00050   0.00020   0.00071   2.20596
   A26        2.30343   0.00002  -0.00003   0.00008   0.00006   2.30349
   A27        2.03754   0.00002  -0.00048   0.00005  -0.00042   2.03712
   A28        1.79853   0.00002   0.00055   0.00018   0.00076   1.79929
   A29        1.55582   0.00002   0.00044   0.00017   0.00060   1.55642
   A30        1.34441  -0.00001   0.00047   0.00010   0.00057   1.34498
   A31        1.64228  -0.00001   0.00055   0.00010   0.00065   1.64293
   A32        1.59056  -0.00001   0.00059   0.00008   0.00067   1.59124
   A33        1.73995   0.00000   0.00092   0.00015   0.00108   1.74103
   A34        2.03967  -0.00001   0.00063   0.00011   0.00075   2.04042
   A35        1.79914  -0.00001  -0.00279  -0.00037  -0.00316   1.79598
   A36        1.88570  -0.00001  -0.00215  -0.00042  -0.00257   1.88312
   A37        1.55558  -0.00001  -0.00133  -0.00049  -0.00182   1.55375
   A38        1.57165  -0.00001  -0.00137  -0.00048  -0.00183   1.56982
   A39        2.25980  -0.00001  -0.00147  -0.00042  -0.00189   2.25791
   A40        2.35648  -0.00001  -0.00129  -0.00001  -0.00130   2.35518
   A41        0.69275  -0.00002   0.00034  -0.00012   0.00021   0.69296
   A42        0.75117  -0.00001   0.00055  -0.00019   0.00035   0.75152
   A43        2.65636   0.00001   0.00111   0.00013   0.00125   2.65761
   A44        2.58835   0.00001   0.00077   0.00012   0.00090   2.58925
   A45        2.64498   0.00000  -0.00010  -0.00001  -0.00010   2.64488
   A46        2.33951   0.00000  -0.00039  -0.00001  -0.00039   2.33912
   A47        2.18118   0.00000   0.00078   0.00009   0.00090   2.18208
   A48        1.94512   0.00000   0.00066   0.00008   0.00073   1.94585
   A49        1.10355   0.00000   0.00033   0.00001   0.00032   1.10387
   A50        1.46315  -0.00001   0.00040  -0.00002   0.00038   1.46353
   A51        1.56446  -0.00001   0.00051  -0.00009   0.00042   1.56488
   A52        1.79883  -0.00001   0.00082  -0.00005   0.00076   1.79960
   A53        1.78877   0.00000   0.00038   0.00003   0.00040   1.78916
   A54        1.64228   0.00000  -0.00298  -0.00010  -0.00307   1.63920
   A55        1.60246   0.00000  -0.00215  -0.00018  -0.00234   1.60012
   A56        1.21809   0.00000  -0.00153  -0.00029  -0.00185   1.21623
   A57        1.19009   0.00001  -0.00154  -0.00036  -0.00191   1.18817
   A58        1.92277   0.00000  -0.00140  -0.00020  -0.00160   1.92117
   A59        1.97417   0.00000  -0.00140   0.00015  -0.00127   1.97290
   A60        0.85134  -0.00002  -0.00086  -0.00035  -0.00120   0.85014
   A61        0.79161  -0.00001  -0.00105  -0.00054  -0.00159   0.79002
   A62        2.61257   0.00000  -0.00113  -0.00032  -0.00143   2.61114
   A63        2.76647   0.00000  -0.00080  -0.00019  -0.00098   2.76548
   A64        2.59472   0.00000   0.00080   0.00023   0.00102   2.59574
   A65        2.38730   0.00000  -0.00048  -0.00014  -0.00061   2.38669
   A66        2.18794  -0.00001  -0.00014  -0.00004  -0.00020   2.18774
   A67        0.86967   0.00000  -0.00117  -0.00035  -0.00151   0.86817
   A68        1.24593  -0.00001  -0.00122  -0.00039  -0.00159   1.24434
   A69        1.42922  -0.00001  -0.00155  -0.00055  -0.00209   1.42713
   A70        1.70014  -0.00001  -0.00141  -0.00053  -0.00194   1.69821
   A71        1.53076   0.00000  -0.00072  -0.00022  -0.00093   1.52983
   A72        1.64304   0.00002  -0.00071   0.00046  -0.00026   1.64278
   A73        1.49953   0.00001  -0.00006   0.00031   0.00025   1.49978
   A74        1.07978   0.00001   0.00021   0.00019   0.00037   1.08015
   A75        0.97935   0.00002  -0.00031  -0.00005  -0.00037   0.97899
   A76        1.74926   0.00001   0.00030   0.00017   0.00048   1.74974
   A77        1.74480   0.00001  -0.00034   0.00039   0.00005   1.74485
   A78        1.98775   0.00002   0.00087   0.00027   0.00115   1.98890
   A79        1.92514   0.00002   0.00044   0.00024   0.00068   1.92581
   A80        2.20101   0.00002  -0.00001   0.00014   0.00013   2.20115
   A81        2.05534   0.00001  -0.00077   0.00009  -0.00069   2.05465
   A82        1.53623   0.00002   0.00032   0.00020   0.00052   1.53675
   A83        1.36678   0.00001   0.00006   0.00018   0.00021   1.36700
   A84        1.19712   0.00000   0.00096   0.00022   0.00120   1.19832
   A85        1.38218   0.00000   0.00103   0.00022   0.00126   1.38344
   A86        1.21489   0.00000   0.00096   0.00018   0.00115   1.21604
   A87        1.31983   0.00001   0.00120   0.00023   0.00142   1.32125
   A88        1.80881   0.00000   0.00118   0.00025   0.00144   1.81025
   A89        2.23266  -0.00002  -0.00298  -0.00042  -0.00335   2.22930
   A90        2.29066  -0.00002  -0.00201  -0.00035  -0.00233   2.28834
   A91        1.90830  -0.00002  -0.00122  -0.00037  -0.00155   1.90675
   A92        1.82788  -0.00001  -0.00100  -0.00032  -0.00128   1.82660
   A93        2.60041  -0.00001  -0.00065  -0.00020  -0.00083   2.59958
   A94        2.54381  -0.00001  -0.00001   0.00041   0.00040   2.54421
   A95        1.90670   0.00001   0.00051   0.00033   0.00085   1.90754
   A96        1.97908   0.00001   0.00003   0.00031   0.00035   1.97942
   A97        2.35282   0.00001  -0.00024   0.00024   0.00000   2.35282
   A98        2.30216   0.00001  -0.00108   0.00015  -0.00093   2.30123
   A99        1.64799   0.00001  -0.00022   0.00024   0.00003   1.64802
   A100       1.55128   0.00001  -0.00049   0.00022  -0.00029   1.55099
   A101       0.88992   0.00000   0.00122   0.00024   0.00147   0.89139
   A102       1.06042   0.00000   0.00108   0.00025   0.00134   1.06175
   A103       0.93111   0.00000   0.00073   0.00019   0.00093   0.93203
   A104       1.09151   0.00000   0.00077   0.00022   0.00099   1.09249
   A105       1.48690   0.00000   0.00124   0.00027   0.00152   1.48842
   A106       2.39333   0.00000  -0.00247  -0.00030  -0.00276   2.39057
   A107       2.28730   0.00000  -0.00083  -0.00015  -0.00098   2.28631
   A108       1.86082  -0.00001  -0.00053  -0.00022  -0.00074   1.86008
   A109       1.68944   0.00000  -0.00026  -0.00020  -0.00046   1.68898
   A110       2.44123   0.00000   0.00080   0.00009   0.00089   2.44212
   A111       2.28120   0.00000   0.00084   0.00054   0.00138   2.28258
   A112       0.71355   0.00000  -0.00005   0.00002  -0.00003   0.71352
   A113       1.00487   0.00000  -0.00014   0.00003  -0.00012   1.00476
   A114       0.69489   0.00000  -0.00009   0.00004  -0.00007   0.69482
   A115       0.98231   0.00001  -0.00011   0.00005  -0.00005   0.98226
   A116       1.80119   0.00000   0.00035   0.00015   0.00050   1.80169
   A117       1.42122   0.00001   0.00028   0.00015   0.00043   1.42165
   A118       1.18585   0.00001   0.00044   0.00024   0.00068   1.18653
   A119       0.91252   0.00001   0.00028   0.00021   0.00050   0.91302
   A120       1.24952   0.00000   0.00004   0.00007   0.00010   1.24962
   A121       1.98150  -0.00001   0.00186  -0.00006   0.00179   1.98329
   A122       2.00355  -0.00001   0.00118   0.00011   0.00129   2.00484
   A123       2.33821   0.00000   0.00052   0.00030   0.00084   2.33905
   A124       2.24747  -0.00001   0.00082   0.00039   0.00119   2.24866
   A125       1.63945  -0.00001   0.00069   0.00018   0.00085   1.64030
   A126       1.50496  -0.00001   0.00087  -0.00004   0.00082   1.50578
   A127       0.65573   0.00000  -0.00016   0.00000  -0.00015   0.65557
   A128       0.66081   0.00001  -0.00005   0.00002  -0.00002   0.66079
   A129       2.16077   0.00000   0.00031   0.00023   0.00054   2.16131
   A130       1.79037   0.00001   0.00020   0.00021   0.00041   1.79078
   A131       1.49355   0.00001   0.00035   0.00030   0.00065   1.49420
   A132       1.20140   0.00001   0.00027   0.00029   0.00056   1.20196
   A133       1.64255   0.00000  -0.00005   0.00009   0.00003   1.64258
   A134       1.83548  -0.00002   0.00170  -0.00027   0.00143   1.83690
   A135       2.01582  -0.00001   0.00090  -0.00012   0.00077   2.01659
   A136       2.43693  -0.00001   0.00056   0.00000   0.00060   2.43753
   A137       2.50466  -0.00001   0.00077   0.00025   0.00103   2.50569
   A138       1.75645  -0.00001   0.00035   0.00000   0.00033   1.75678
   A139       1.71988  -0.00001   0.00069  -0.00024   0.00045   1.72033
   A140       0.70490   0.00000  -0.00001   0.00000  -0.00001   0.70489
   A141       0.83436   0.00000  -0.00004  -0.00003  -0.00006   0.83431
   A142       2.49708   0.00000   0.00021   0.00012   0.00034   2.49742
   A143       2.11721   0.00001   0.00020   0.00015   0.00034   2.11756
   A144       1.89323   0.00001   0.00038   0.00028   0.00066   1.89388
   A145       1.60825   0.00001   0.00027   0.00026   0.00053   1.60878
   A146       1.84170   0.00000  -0.00008   0.00002  -0.00006   1.84164
   A147       1.40947  -0.00002   0.00163  -0.00027   0.00136   1.41083
   A148       1.63168  -0.00001   0.00070  -0.00020   0.00049   1.63217
   A149       2.05958  -0.00001   0.00055  -0.00012   0.00044   2.06002
   A150       2.23562  -0.00001   0.00066   0.00004   0.00070   2.23632
   A151       1.46242  -0.00001   0.00004  -0.00013  -0.00010   1.46231
   A152       1.52679   0.00000   0.00044  -0.00042   0.00001   1.52681
   A153       0.76407   0.00000  -0.00034   0.00002  -0.00032   0.76375
   A154       0.76658   0.00000  -0.00042  -0.00003  -0.00043   0.76615
   A155       2.80571   0.00000   0.00019   0.00017   0.00037   2.80608
   A156       2.42448   0.00001   0.00015   0.00016   0.00032   2.42480
   A157       2.14736   0.00001   0.00015   0.00031   0.00046   2.14783
   A158       1.85410   0.00001   0.00008   0.00029   0.00039   1.85449
   A159       2.15424   0.00000   0.00004  -0.00001   0.00004   2.15428
   A160       1.27305  -0.00002   0.00163  -0.00040   0.00123   1.27428
   A161       1.58313  -0.00002   0.00072  -0.00036   0.00036   1.58349
   A162       1.98322  -0.00001   0.00081  -0.00032   0.00051   1.98373
   A163       2.24197  -0.00001   0.00081  -0.00018   0.00064   2.24261
   A164       1.53792  -0.00001   0.00014  -0.00029  -0.00016   1.53776
   A165       1.68122  -0.00001   0.00059  -0.00056   0.00003   1.68126
   A166       2.14326   0.00000   0.00039   0.00032   0.00070   2.14396
   A167       1.84889   0.00000   0.00020   0.00027   0.00045   1.84933
   A168       1.46172   0.00001   0.00027   0.00032   0.00057   1.46229
   A169       1.18369   0.00001   0.00029   0.00031   0.00060   1.18429
   A170       1.86357   0.00000  -0.00003   0.00016   0.00011   1.86368
   A171       2.03618  -0.00002   0.00124  -0.00040   0.00085   2.03703
   A172       2.32811  -0.00002   0.00056  -0.00026   0.00030   2.32840
   A173       2.74583  -0.00001   0.00046  -0.00027   0.00024   2.74606
   A174       2.14566  -0.00001   0.00020  -0.00004   0.00014   2.14579
   A175       2.12724   0.00000   0.00066  -0.00021   0.00044   2.12768
   A176       2.24602   0.00000   0.00040   0.00039   0.00078   2.24680
   A177       2.03177   0.00000   0.00017   0.00033   0.00050   2.03228
   A178       1.62103   0.00001   0.00019   0.00036   0.00055   1.62158
   A179       1.37233   0.00001   0.00027   0.00036   0.00063   1.37297
   A180       2.12657   0.00000  -0.00004   0.00022   0.00019   2.12677
   A181       1.96102  -0.00002   0.00074  -0.00053   0.00023   1.96126
   A182       2.32682  -0.00002   0.00008  -0.00047  -0.00038   2.32644
   A183       2.64631  -0.00001   0.00019  -0.00057  -0.00033   2.64598
   A184       2.28779  -0.00001  -0.00013  -0.00023  -0.00035   2.28744
   A185       2.34980   0.00000   0.00048  -0.00037   0.00014   2.34995
   A186       0.69104  -0.00001   0.00007  -0.00003   0.00004   0.69108
   A187       0.98176  -0.00001   0.00008  -0.00002   0.00004   0.98180
   A188       0.69932   0.00000   0.00013   0.00001   0.00014   0.69945
   A189       2.07450   0.00002  -0.00127   0.00013  -0.00113   2.07337
   A190       1.70623   0.00002  -0.00036   0.00011  -0.00026   1.70597
   A191       1.36609   0.00000  -0.00075   0.00009  -0.00068   1.36541
   A192       1.06500   0.00000  -0.00057  -0.00002  -0.00061   1.06439
   A193       1.61917   0.00001   0.00024   0.00009   0.00033   1.61949
   A194       1.40111   0.00000  -0.00018   0.00036   0.00016   1.40127
   A195       0.66704  -0.00001  -0.00010  -0.00004  -0.00015   0.66690
   A196       2.23794   0.00002  -0.00026   0.00024   0.00000   2.23794
   A197       1.84185   0.00002   0.00033   0.00025   0.00058   1.84243
   A198       1.60507   0.00000  -0.00037   0.00024  -0.00016   1.60491
   A199       1.29074   0.00000  -0.00008   0.00015   0.00003   1.29077
   A200       1.61305   0.00001   0.00075   0.00025   0.00098   1.61403
   A201       1.33982   0.00000   0.00035   0.00041   0.00075   1.34057
   A202       0.71041   0.00000   0.00016   0.00003   0.00019   0.71060
   A203       2.63317   0.00002   0.00019   0.00028   0.00052   2.63368
   A204       2.24206   0.00002   0.00054   0.00028   0.00082   2.24288
   A205       2.01541   0.00000  -0.00043   0.00020  -0.00026   2.01515
   A206       1.70118  -0.00001  -0.00014   0.00010  -0.00007   1.70111
   A207       1.95454   0.00001   0.00100   0.00033   0.00131   1.95585
   A208       1.66632   0.00000   0.00067   0.00042   0.00108   1.66739
   A209       0.83509  -0.00001  -0.00016  -0.00004  -0.00021   0.83488
   A210       2.70011   0.00001   0.00120   0.00026   0.00150   2.70161
   A211       2.38040   0.00001   0.00075   0.00030   0.00105   2.38144
   A212       2.26049  -0.00001  -0.00039   0.00024  -0.00019   2.26030
   A213       1.94927  -0.00001  -0.00009   0.00015   0.00001   1.94928
   A214       2.01268   0.00000   0.00086   0.00032   0.00116   2.01384
   A215       1.72971   0.00000   0.00060   0.00031   0.00090   1.73061
   A216       1.93020   0.00003   0.00043   0.00028   0.00072   1.93092
   A217       1.55607   0.00002   0.00073   0.00031   0.00104   1.55710
   A218       1.46258   0.00001   0.00001   0.00037   0.00035   1.46293
   A219       1.17786   0.00000   0.00042   0.00031   0.00069   1.17855
   A220       1.24447   0.00002   0.00082   0.00029   0.00109   1.24556
   A221       0.95728   0.00001   0.00046   0.00039   0.00083   0.95811
   A222       0.71589   0.00002  -0.00067   0.00006  -0.00062   0.71527
   A223       1.00954   0.00002  -0.00069   0.00015  -0.00053   1.00902
   A224       0.69938   0.00001  -0.00004  -0.00005  -0.00011   0.69928
   A225       0.98786   0.00002   0.00017  -0.00008   0.00009   0.98795
   A226       0.66058   0.00001   0.00011   0.00017   0.00028   0.66086
   A227       0.66609   0.00001   0.00031   0.00005   0.00037   0.66646
   A228       0.70810   0.00000   0.00005   0.00008   0.00012   0.70822
   A229       0.84098   0.00000  -0.00039   0.00033  -0.00006   0.84092
   A230       0.77698   0.00000   0.00061   0.00018   0.00077   0.77774
   A231       0.78514  -0.00001   0.00012   0.00049   0.00058   0.78572
   A232       1.58839   0.00007   0.00507   0.00047   0.00553   1.59392
   A233       1.86541  -0.00004  -0.00321  -0.00028  -0.00350   1.86191
   A234       2.19022   0.00004   0.00022  -0.00011   0.00009   2.19031
   A235       2.12948  -0.00002  -0.00034   0.00016  -0.00022   2.12926
   A236       1.96316  -0.00003   0.00012  -0.00004   0.00013   1.96329
   A237       2.12187   0.00001  -0.00013   0.00024   0.00008   2.12195
   A238       2.12669  -0.00002  -0.00054  -0.00007  -0.00059   2.12610
   A239       2.03278   0.00001   0.00092  -0.00011   0.00084   2.03363
   A240       1.85942  -0.00005  -0.00694  -0.00063  -0.00758   1.85184
   A241       2.51258   0.00007   0.00728   0.00073   0.00803   2.52062
   A242       1.91354  -0.00002  -0.00051   0.00033  -0.00023   1.91331
   A243       1.91833   0.00000  -0.00040   0.00020  -0.00019   1.91814
   A244       1.91545   0.00003   0.00113  -0.00027   0.00095   1.91640
   A245       1.90919  -0.00001  -0.00031   0.00006  -0.00023   1.90896
   A246       1.90909  -0.00002  -0.00036  -0.00004  -0.00041   1.90868
   A247       1.89810   0.00002   0.00045  -0.00028   0.00010   1.89821
   A248       1.29451   0.00000   0.00016  -0.00031  -0.00014   1.29437
   A249       1.90589   0.00000  -0.00005  -0.00010  -0.00011   1.90578
   A250       1.90927   0.00001  -0.00039   0.00020  -0.00020   1.90907
   A251       1.92705   0.00001   0.00030   0.00015   0.00042   1.92747
   A252       1.91086  -0.00002  -0.00022  -0.00011  -0.00033   1.91053
   A253       1.89711   0.00001   0.00029  -0.00002   0.00026   1.89737
   A254       1.91355   0.00000   0.00007  -0.00012  -0.00005   1.91350
   A255       1.71956   0.00002   0.00005   0.00014   0.00019   1.71975
   A256       1.77237   0.00000   0.00056  -0.00029   0.00026   1.77263
   A257       2.19057   0.00000  -0.00001   0.00002   0.00001   2.19058
   A258       2.13000   0.00000  -0.00009   0.00001  -0.00008   2.12993
   A259       1.96240   0.00000   0.00011  -0.00004   0.00007   1.96248
   A260       2.12350   0.00000   0.00004   0.00005   0.00010   2.12360
   A261       2.12431   0.00000  -0.00002  -0.00002  -0.00007   2.12424
   A262       2.03520   0.00000  -0.00001  -0.00004  -0.00002   2.03518
   A263       1.33910   0.00003  -0.00146   0.00013  -0.00133   1.33777
   A264       1.89922   0.00001  -0.00019  -0.00001  -0.00017   1.89905
   A265       1.93218   0.00000   0.00002   0.00001   0.00002   1.93221
   A266       1.90981   0.00001   0.00019  -0.00003   0.00016   1.90997
   A267       1.89836   0.00000   0.00003   0.00002   0.00005   1.89841
   A268       1.91261   0.00001  -0.00002   0.00000  -0.00004   1.91258
   A269       1.91151  -0.00002  -0.00004   0.00001  -0.00003   1.91148
   A270       2.66111   0.00000   0.00004   0.00012   0.00016   2.66127
   A271       1.70277   0.00000  -0.00005  -0.00016  -0.00020   1.70257
   A272       1.92427  -0.00001   0.00007   0.00003   0.00007   1.92434
   A273       1.91332   0.00001  -0.00012   0.00004  -0.00004   1.91328
   A274       1.91367   0.00000   0.00004  -0.00001   0.00005   1.91372
   A275       1.89465  -0.00001   0.00005  -0.00009  -0.00006   1.89459
   A276       1.91089   0.00001   0.00001   0.00002   0.00003   1.91091
   A277       1.90685   0.00000  -0.00005   0.00002  -0.00005   1.90680
   A278       1.80914   0.00001  -0.00019  -0.00008  -0.00028   1.80887
   A279       1.75344  -0.00002   0.00010   0.00003   0.00013   1.75357
   A280       2.18964   0.00000  -0.00020   0.00000  -0.00021   2.18944
   A281       2.13048   0.00000   0.00016  -0.00005   0.00012   2.13060
   A282       1.96298  -0.00001   0.00005   0.00005   0.00009   1.96307
   A283       2.12267  -0.00001   0.00013  -0.00007   0.00007   2.12273
   A284       2.11558   0.00001  -0.00015  -0.00004  -0.00020   2.11538
   A285       2.04171  -0.00001   0.00012   0.00010   0.00022   2.04193
   A286       2.69445   0.00001   0.00098   0.00037   0.00134   2.69579
   A287       1.66506  -0.00002  -0.00096  -0.00040  -0.00136   1.66369
   A288       1.92569   0.00000  -0.00003   0.00013   0.00011   1.92580
   A289       1.91589  -0.00002  -0.00025  -0.00007  -0.00033   1.91556
   A290       1.91235   0.00000  -0.00004   0.00000  -0.00003   1.91232
   A291       1.89118   0.00000   0.00001  -0.00003  -0.00001   1.89116
   A292       1.91238   0.00001   0.00005   0.00004   0.00009   1.91247
   A293       1.90613   0.00001   0.00026  -0.00008   0.00019   1.90631
   A294       1.35411   0.00000  -0.00454  -0.00052  -0.00506   1.34905
   A295       1.15056   0.00000   0.00285   0.00034   0.00319   1.15375
   A296       1.93266   0.00001   0.00029   0.00000   0.00029   1.93295
   A297       1.90675  -0.00001  -0.00021   0.00000  -0.00021   1.90654
   A298       1.90159   0.00001  -0.00032  -0.00002  -0.00032   1.90127
   A299       1.90961   0.00000  -0.00001  -0.00004  -0.00006   1.90955
   A300       1.89817   0.00000   0.00053   0.00006   0.00059   1.89876
   A301       1.91500   0.00000  -0.00028   0.00000  -0.00030   1.91470
   A302       1.71720   0.00001   0.00452   0.00021   0.00471   1.72191
   A303       1.76289   0.00003  -0.00029  -0.00003  -0.00032   1.76257
   A304       2.19327   0.00000   0.00002  -0.00001   0.00005   2.19332
   A305       2.12984  -0.00001  -0.00047   0.00029  -0.00020   2.12964
   A306       1.95978   0.00002   0.00046  -0.00027   0.00017   1.95995
   A307       2.12508   0.00003   0.00023  -0.00005   0.00018   2.12526
   A308       2.12062   0.00001   0.00054  -0.00012   0.00041   2.12103
   A309       2.03666  -0.00004  -0.00054   0.00018  -0.00037   2.03629
   A310       1.38492  -0.00001   0.00457  -0.00005   0.00449   1.38940
   A311       2.97207  -0.00005  -0.00435  -0.00040  -0.00471   2.96735
   A312       1.90746  -0.00002   0.00063  -0.00014   0.00047   1.90793
   A313       1.92788   0.00000   0.00064  -0.00037   0.00049   1.92837
   A314       1.90578   0.00000  -0.00019   0.00012   0.00002   1.90580
   A315       1.91235   0.00005  -0.00038   0.00045  -0.00002   1.91233
   A316       1.91248   0.00002   0.00022   0.00001   0.00015   1.91263
   A317       1.89782  -0.00005  -0.00093  -0.00006  -0.00113   1.89669
   A318       1.70929  -0.00001  -0.00218   0.00089  -0.00129   1.70801
   A319       1.91361  -0.00002   0.00019  -0.00014   0.00005   1.91366
   A320       1.91552  -0.00001   0.00014  -0.00001   0.00020   1.91572
   A321       1.92440   0.00001   0.00018  -0.00011   0.00004   1.92444
   A322       1.90458   0.00000  -0.00001  -0.00005  -0.00007   1.90451
   A323       1.91125   0.00001  -0.00027   0.00024  -0.00003   1.91122
   A324       1.89425   0.00000  -0.00025   0.00007  -0.00020   1.89405
   A325       2.92158   0.00000   0.00046   0.00011   0.00057   2.92215
   A326       3.34612   0.00001  -0.00084  -0.00044  -0.00119   3.34493
   A327       3.06406   0.00001  -0.00084  -0.00045  -0.00124   3.06282
   A328       3.20806   0.00000   0.00023  -0.00043  -0.00019   3.20787
   A329       3.25061   0.00001  -0.00150   0.00014  -0.00136   3.24925
   A330       3.26372  -0.00001  -0.00455  -0.00056  -0.00512   3.25860
   A331       3.62055   0.00001  -0.00245   0.00113  -0.00132   3.61923
   A332       3.22280   0.00000  -0.00148  -0.00038  -0.00185   3.22094
   A333       3.03676   0.00000   0.00016  -0.00029  -0.00011   3.03665
   A334       2.97557  -0.00001   0.00032  -0.00031   0.00002   2.97559
   A335       3.23633   0.00000  -0.00146  -0.00040  -0.00184   3.23449
   A336       3.08071   0.00000   0.00065   0.00002   0.00066   3.08137
   A337       3.10197   0.00000   0.00140   0.00016   0.00156   3.10352
   A338       3.03494   0.00000  -0.00060   0.00018  -0.00044   3.03451
    D1        2.76243   0.00000  -0.00094  -0.00049  -0.00143   2.76100
    D2       -1.35634   0.00000  -0.00018  -0.00021  -0.00038  -1.35672
    D3        2.79722  -0.00001  -0.00362  -0.00095  -0.00456   2.79266
    D4       -1.32155  -0.00001  -0.00286  -0.00067  -0.00351  -1.32506
    D5        1.66237   0.00001  -0.00201  -0.00037  -0.00241   1.65996
    D6       -2.45640   0.00001  -0.00125  -0.00009  -0.00136  -2.45776
    D7        1.84093   0.00000  -0.00243  -0.00031  -0.00274   1.83820
    D8       -2.27784   0.00000  -0.00167  -0.00002  -0.00169  -2.27952
    D9        0.31907   0.00000  -0.00239  -0.00058  -0.00297   0.31609
   D10        2.48348   0.00000  -0.00163  -0.00029  -0.00192   2.48156
   D11        0.04099   0.00000  -0.00213  -0.00058  -0.00270   0.03829
   D12        2.20540  -0.00001  -0.00137  -0.00029  -0.00165   2.20375
   D13       -0.42558  -0.00001  -0.00215  -0.00057  -0.00271  -0.42829
   D14        1.73884  -0.00001  -0.00139  -0.00028  -0.00166   1.73718
   D15       -0.54429  -0.00001  -0.00157  -0.00054  -0.00211  -0.54639
   D16        1.62013  -0.00001  -0.00081  -0.00025  -0.00106   1.61907
   D17        0.22210   0.00000  -0.00189  -0.00051  -0.00239   0.21971
   D18        2.38652  -0.00001  -0.00113  -0.00023  -0.00134   2.38518
   D19        0.16092  -0.00001  -0.00173  -0.00053  -0.00226   0.15866
   D20        2.32533  -0.00001  -0.00097  -0.00025  -0.00121   2.32413
   D21        2.39033   0.00000  -0.00133  -0.00014  -0.00147   2.38886
   D22       -1.72844   0.00000  -0.00057   0.00015  -0.00042  -1.72886
   D23        2.14406   0.00000  -0.00134  -0.00011  -0.00146   2.14260
   D24       -1.97471   0.00000  -0.00058   0.00017  -0.00041  -1.97512
   D25        1.70277   0.00001  -0.00141  -0.00012  -0.00154   1.70122
   D26       -2.41600   0.00001  -0.00065   0.00017  -0.00049  -2.41650
   D27        1.39527   0.00002  -0.00141  -0.00012  -0.00155   1.39372
   D28       -2.72350   0.00001  -0.00065   0.00016  -0.00050  -2.72400
   D29        2.34971   0.00000  -0.00102   0.00001  -0.00102   2.34869
   D30       -1.76906  -0.00001  -0.00026   0.00029   0.00003  -1.76903
   D31       -1.81395   0.00002  -0.00300  -0.00008  -0.00307  -1.81703
   D32        0.35046   0.00002  -0.00224   0.00020  -0.00202   0.34844
   D33       -2.14740   0.00001  -0.00206  -0.00012  -0.00217  -2.14957
   D34        0.01702   0.00001  -0.00130   0.00017  -0.00112   0.01589
   D35       -2.52964   0.00000  -0.00227  -0.00015  -0.00244  -2.53208
   D36       -0.36522   0.00000  -0.00151   0.00014  -0.00139  -0.36661
   D37       -2.81466   0.00000  -0.00205  -0.00022  -0.00228  -2.81693
   D38       -0.65024   0.00000  -0.00129   0.00006  -0.00123  -0.65147
   D39       -2.14305   0.00000  -0.00135  -0.00014  -0.00148  -2.14453
   D40        0.02137   0.00000  -0.00060   0.00015  -0.00043   0.02094
   D41       -2.39054  -0.00001  -0.00156   0.00043  -0.00110  -2.39164
   D42       -0.22612  -0.00001  -0.00080   0.00072  -0.00005  -0.22618
   D43        1.24982   0.00000   0.00368   0.00076   0.00446   1.25428
   D44       -1.97540   0.00000   0.00321   0.00179   0.00502  -1.97037
   D45        2.43979  -0.00001   0.00229   0.00075   0.00303   2.44282
   D46       -0.78543   0.00000   0.00182   0.00178   0.00359  -0.78184
   D47        2.92271   0.00000   0.00183   0.00083   0.00265   2.92537
   D48       -0.30251   0.00000   0.00136   0.00186   0.00321  -0.29929
   D49        2.82818   0.00000   0.00327   0.00094   0.00425   2.83243
   D50       -0.39704   0.00000   0.00280   0.00198   0.00481  -0.39223
   D51        2.02954  -0.00001   0.00218   0.00070   0.00290   2.03243
   D52       -1.19568   0.00000   0.00171   0.00173   0.00346  -1.19222
   D53        1.15970  -0.00001   0.00140   0.00062   0.00200   1.16170
   D54       -2.06552  -0.00001   0.00092   0.00165   0.00256  -2.06295
   D55        1.02021  -0.00001   0.00290   0.00071   0.00360   1.02381
   D56       -2.20501  -0.00001   0.00243   0.00174   0.00416  -2.20085
   D57        2.00948   0.00000   0.00288   0.00079   0.00369   2.01318
   D58       -1.21574   0.00000   0.00241   0.00182   0.00425  -1.21148
   D59        1.82028  -0.00001   0.00307   0.00075   0.00383   1.82412
   D60       -1.40494   0.00000   0.00260   0.00178   0.00439  -1.40054
   D61       -2.30494   0.00000   0.00335   0.00117   0.00451  -2.30043
   D62        0.75303   0.00000   0.00288   0.00220   0.00507   0.75810
   D63       -2.43846   0.00000   0.00346   0.00111   0.00457  -2.43388
   D64        0.61951   0.00000   0.00299   0.00214   0.00513   0.62464
   D65       -2.84062   0.00000   0.00349   0.00111   0.00460  -2.83602
   D66        0.21734   0.00000   0.00301   0.00214   0.00516   0.22250
   D67       -3.01874   0.00001   0.00378   0.00115   0.00494  -3.01380
   D68        0.03923   0.00001   0.00331   0.00218   0.00550   0.04473
   D69       -2.16112  -0.00001   0.00373   0.00110   0.00484  -2.15628
   D70        0.89685  -0.00001   0.00326   0.00213   0.00540   0.90225
   D71       -0.20374   0.00002   0.00345   0.00137   0.00483  -0.19892
   D72        2.85422   0.00002   0.00298   0.00240   0.00539   2.85961
   D73       -0.59840   0.00002   0.00400   0.00138   0.00539  -0.59301
   D74        2.45956   0.00002   0.00353   0.00241   0.00596   2.46552
   D75       -0.79108   0.00000   0.00310   0.00141   0.00451  -0.78657
   D76        2.26689   0.00000   0.00263   0.00244   0.00507   2.27195
   D77       -1.12676   0.00000   0.00321   0.00128   0.00447  -1.12229
   D78        1.93121   0.00000   0.00274   0.00231   0.00503   1.93624
   D79       -0.86209   0.00001   0.00454   0.00140   0.00593  -0.85616
   D80        2.19588   0.00001   0.00407   0.00243   0.00649   2.20237
   D81       -1.16865   0.00000   0.00437   0.00153   0.00590  -1.16275
   D82        1.88931   0.00000   0.00389   0.00256   0.00646   1.89577
   D83       -1.52725   0.00000   0.00035  -0.00046  -0.00012  -1.52737
   D84       -2.60528  -0.00001   0.00007  -0.00053  -0.00046  -2.60574
   D85       -2.93201  -0.00001  -0.00176  -0.00099  -0.00273  -2.93474
   D86        0.73072   0.00000   0.00022  -0.00047  -0.00024   0.73047
   D87        0.31096  -0.00001   0.00027  -0.00054  -0.00026   0.31070
   D88       -0.06411  -0.00001  -0.00023  -0.00064  -0.00086  -0.06497
   D89       -0.39607  -0.00001   0.00024  -0.00062  -0.00037  -0.39643
   D90        0.18724   0.00000   0.00074  -0.00048   0.00030   0.18754
   D91       -0.04829   0.00000   0.00097  -0.00049   0.00050  -0.04779
   D92        2.39625  -0.00001   0.00069  -0.00030   0.00042   2.39667
   D93        2.04834   0.00000   0.00078  -0.00027   0.00053   2.04887
   D94        1.65450   0.00000   0.00091  -0.00021   0.00072   1.65522
   D95        1.36707   0.00001   0.00104  -0.00019   0.00087   1.36794
   D96        2.05098   0.00000   0.00084  -0.00026   0.00059   2.05157
   D97       -1.95671   0.00002   0.00019   0.00008   0.00022  -1.95648
   D98       -2.46763   0.00002   0.00219   0.00026   0.00241  -2.46522
   D99       -2.69407   0.00000   0.00100   0.00014   0.00111  -2.69295
   D100      -3.01218   0.00000   0.00136   0.00006   0.00138  -3.01080
   D101      -2.90036   0.00003   0.00451   0.00075   0.00522  -2.89513
   D102       2.85149   0.00002   0.00393   0.00056   0.00449   2.85598
   D103      -2.88619   0.00000   0.00074   0.00014   0.00089  -2.88531
   D104       1.20973   0.00000   0.00064   0.00017   0.00082   1.21055
   D105       2.83264  -0.00001   0.00088   0.00006   0.00094   2.83359
   D106       0.64539  -0.00001   0.00078   0.00009   0.00087   0.64626
   D107       2.34143   0.00000   0.00013  -0.00006   0.00004   2.34147
   D108       0.15417   0.00000   0.00003  -0.00003  -0.00003   0.15414
   D109       1.77309   0.00001   0.00016  -0.00001   0.00016   1.77325
   D110      -0.41417   0.00001   0.00006   0.00002   0.00009  -0.41408
   D111       2.60914   0.00000   0.00099   0.00006   0.00106   2.61020
   D112       0.42188   0.00000   0.00089   0.00009   0.00099   0.42287
   D113       2.27314   0.00000   0.00111   0.00003   0.00114   2.27428
   D114       0.08588   0.00000   0.00101   0.00006   0.00107   0.08696
   D115      -1.61042   0.00000   0.00006  -0.00002   0.00004  -1.61038
   D116       2.48551   0.00000  -0.00004   0.00001  -0.00003   2.48548
   D117      -1.77521   0.00001  -0.00043   0.00003  -0.00040  -1.77561
   D118       2.32072   0.00001  -0.00053   0.00006  -0.00047   2.32024
   D119      -2.73478   0.00000  -0.00003   0.00003  -0.00002  -2.73480
   D120       1.36114   0.00000  -0.00013   0.00006  -0.00008   1.36106
   D121      -2.70004   0.00000   0.00000   0.00009   0.00007  -2.69997
   D122       1.39588   0.00000  -0.00010   0.00012   0.00000   1.39589
   D123       1.34953   0.00000  -0.00029  -0.00028  -0.00057   1.34896
   D124      -0.83773   0.00000  -0.00039  -0.00024  -0.00064  -0.83837
   D125       1.31603   0.00001  -0.00006  -0.00020  -0.00026   1.31577
   D126      -0.87123   0.00001  -0.00016  -0.00016  -0.00032  -0.87155
   D127       1.67018   0.00001   0.00003  -0.00017  -0.00014   1.67004
   D128      -0.51707   0.00001  -0.00007  -0.00014  -0.00021  -0.51728
   D129       1.79417   0.00000  -0.00028  -0.00024  -0.00052   1.79364
   D130      -0.39309   0.00000  -0.00038  -0.00020  -0.00059  -0.39368
   D131       0.91365   0.00001  -0.00011  -0.00018  -0.00028   0.91337
   D132      -1.27360   0.00001  -0.00021  -0.00015  -0.00035  -1.27396
   D133      -0.91952  -0.00002  -0.00018  -0.00052  -0.00071  -0.92023
   D134      -3.10678  -0.00002  -0.00028  -0.00049  -0.00078  -3.10756
   D135      -0.48546  -0.00002  -0.00048  -0.00053  -0.00102  -0.48648
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   D138      -2.34465   0.00000   0.00023  -0.00058  -0.00031  -2.34495
   D139       0.24540   0.00000   0.00028  -0.00032  -0.00001   0.24539
   D140      -1.94186   0.00000   0.00018  -0.00029  -0.00008  -1.94194
   D141      -0.28723  -0.00001  -0.00073  -0.00043  -0.00115  -0.28838
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   D146      -2.71953   0.00001   0.00238   0.00027   0.00265  -2.71688
   D147      -2.40773   0.00001   0.00331   0.00025   0.00357  -2.40416
   D148       3.01622   0.00002   0.00255   0.00025   0.00280   3.01902
   D149       2.64018   0.00001   0.00258   0.00028   0.00286   2.64304
   D150       1.52223   0.00000   0.00108  -0.00007   0.00100   1.52323
   D151       2.62251   0.00000   0.00097  -0.00003   0.00091   2.62343
   D152       2.99531   0.00000   0.00096   0.00004   0.00100   2.99631
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   D155       1.65804   0.00000   0.00109  -0.00019   0.00089   1.65894
   D156       1.72950   0.00000   0.00085  -0.00020   0.00065   1.73015
   D157       0.91550   0.00001   0.00092  -0.00024   0.00067   0.91617
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   D211      -0.10249  -0.00002  -0.00030  -0.00002  -0.00030  -0.10279
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   D213       0.01200  -0.00001   0.00019  -0.00006   0.00014   0.01214
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   D216      -2.41289   0.00001   0.00090   0.00028   0.00119  -2.41170
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   D219       2.02914   0.00001   0.00107   0.00057   0.00165   2.03079
   D220      -2.19407   0.00001   0.00048   0.00098   0.00144  -2.19263
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   D222      -2.90137   0.00000   0.00081   0.00016   0.00100  -2.90038
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   D224       3.04870   0.00000   0.00075   0.00008   0.00083   3.04953
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   D228      -2.65884   0.00000   0.00070   0.00006   0.00076  -2.65808
   D229       1.40945   0.00000   0.00056   0.00013   0.00069   1.41014
   D230      -1.56551  -0.00001   0.00035   0.00002   0.00037  -1.56514
   D231       2.50278  -0.00001   0.00021   0.00009   0.00030   2.50308
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   D233      -2.24095   0.00001   0.00253   0.00039   0.00293  -2.23802
   D234      -0.18089   0.00001   0.00202   0.00038   0.00239  -0.17850
   D235      -2.39579   0.00001   0.00187   0.00045   0.00232  -2.39347
   D236       0.08081   0.00000   0.00123   0.00049   0.00171   0.08253
   D237      -2.13409   0.00000   0.00109   0.00056   0.00164  -2.13245
   D238      -0.01624  -0.00001   0.00163   0.00055   0.00215  -0.01409
   D239      -2.23114  -0.00001   0.00149   0.00062   0.00208  -2.22906
   D240      -0.58445   0.00000   0.00156   0.00040   0.00195  -0.58250
   D241      -2.79935   0.00000   0.00142   0.00047   0.00188  -2.79748
   D242      -0.77540   0.00000   0.00157   0.00019   0.00177  -0.77364
   D243      -2.99030   0.00000   0.00143   0.00027   0.00169  -2.98861
   D244      -2.92532  -0.00001  -0.00087  -0.00019  -0.00103  -2.92635
   D245      -0.00637  -0.00001  -0.00046  -0.00020  -0.00064  -0.00701
   D246      -3.11998  -0.00001  -0.00080  -0.00011  -0.00092  -3.12090
   D247      -0.20103  -0.00001  -0.00039  -0.00013  -0.00053  -0.20156
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   D249      -0.58953   0.00000  -0.00059  -0.00004  -0.00064  -0.59017
   D250       2.53278   0.00001  -0.00022   0.00013  -0.00008   2.53269
   D251      -0.83147   0.00001   0.00019   0.00011   0.00031  -0.83116
   D252      -2.89665  -0.00001  -0.00046  -0.00001  -0.00045  -2.89710
   D253       0.02230  -0.00001  -0.00005  -0.00003  -0.00006   0.02223
   D254      -3.07218   0.00000   0.00035   0.00005   0.00040  -3.07177
   D255      -0.15323   0.00000   0.00076   0.00003   0.00079  -0.15244
   D256      -0.66121   0.00001  -0.00040   0.00002  -0.00038  -0.66159
   D257       2.25774   0.00001   0.00001   0.00000   0.00001   2.25775
   D258      -0.91428   0.00001  -0.00036   0.00007  -0.00028  -0.91456
   D259       2.00466   0.00001   0.00005   0.00005   0.00011   2.00477
   D260      -0.75697   0.00001  -0.00039   0.00011  -0.00028  -0.75725
   D261       2.16197   0.00000   0.00002   0.00009   0.00012   2.16209
   D262      -0.96716   0.00001  -0.00087   0.00015  -0.00072  -0.96788
   D263       1.95178   0.00000  -0.00046   0.00013  -0.00033   1.95146
   D264      -1.32224   0.00001  -0.00031   0.00006  -0.00023  -1.32247
   D265       1.59670   0.00001   0.00010   0.00004   0.00016   1.59686
   D266      -1.56318   0.00000  -0.00033   0.00007  -0.00028  -1.56346
   D267       1.35576   0.00000   0.00008   0.00005   0.00011   1.35588
   D268       1.97805   0.00000  -0.00084  -0.00016  -0.00100   1.97705
   D269      -1.38619   0.00000  -0.00043  -0.00017  -0.00061  -1.38680
   D270       0.85811  -0.00001  -0.00089  -0.00017  -0.00106   0.85704
   D271      -2.50614  -0.00001  -0.00049  -0.00018  -0.00067  -2.50681
   D272       1.06815   0.00000   0.00414   0.00028   0.00444   1.07259
   D273      -2.29609   0.00000   0.00455   0.00026   0.00483  -2.29126
   D274       1.16851   0.00001   0.00133   0.00027   0.00160   1.17011
   D275      -2.19573   0.00001   0.00174   0.00026   0.00199  -2.19374
   D276       1.59985   0.00001   0.00040   0.00039   0.00078   1.60064
   D277      -1.76439   0.00001   0.00081   0.00037   0.00117  -1.76321
   D278       1.58896  -0.00001   0.00050   0.00036   0.00083   1.58980
   D279      -1.77528  -0.00001   0.00091   0.00034   0.00123  -1.77405
   D280       0.82573   0.00000   0.00015   0.00019   0.00032   0.82605
   D281      -2.53851   0.00000   0.00055   0.00017   0.00072  -2.53780
   D282       0.79924   0.00000   0.00033  -0.00017   0.00016   0.79940
   D283      -2.56500   0.00000   0.00074  -0.00019   0.00055  -2.56445
   D284       1.58686   0.00000   0.00155   0.00002   0.00157   1.58843
   D285      -2.62849   0.00000   0.00263   0.00017   0.00280  -2.62568
   D286       1.64199  -0.00001   0.00160   0.00015   0.00175   1.64373
   D287      -2.57336  -0.00001   0.00268   0.00030   0.00298  -2.57038
   D288       1.32449   0.00001   0.00149   0.00033   0.00181   1.32631
   D289      -2.89086   0.00000   0.00257   0.00048   0.00305  -2.88781
   D290       1.22458   0.00001   0.00346   0.00075   0.00421   1.22879
   D291      -2.99077   0.00001   0.00454   0.00090   0.00544  -2.98533
   D292       2.03616  -0.00001   0.00192   0.00023   0.00216   2.03833
   D293      -2.17919  -0.00001   0.00300   0.00038   0.00340  -2.17579
   D294       2.01664   0.00000   0.00249   0.00023   0.00273   2.01937
   D295      -2.19871   0.00000   0.00357   0.00038   0.00396  -2.19475
   D296      -2.30961   0.00001   0.00255   0.00046   0.00302  -2.30660
   D297      -0.24178   0.00001   0.00363   0.00061   0.00425  -0.23753
   D298      -2.29140   0.00001   0.00259   0.00054   0.00314  -2.28827
   D299      -0.22357   0.00001   0.00367   0.00070   0.00437  -0.21920
   D300      -1.90537   0.00001   0.00261   0.00057   0.00319  -1.90218
   D301       0.16247   0.00001   0.00369   0.00072   0.00442   0.16689
   D302      -1.85133   0.00001   0.00219   0.00067   0.00287  -1.84846
   D303       0.21651   0.00001   0.00327   0.00083   0.00410   0.22061
   D304      -2.64023   0.00001   0.00264   0.00055   0.00320  -2.63703
   D305      -0.57240   0.00001   0.00372   0.00071   0.00443  -0.56796
   D306      -2.77110   0.00000   0.00273   0.00063   0.00332  -2.76778
   D307      -0.70326   0.00000   0.00381   0.00078   0.00455  -0.69871
   D308       1.52462   0.00000   0.00203   0.00024   0.00227   1.52689
   D309      -2.69073   0.00000   0.00311   0.00039   0.00350  -2.68722
   D310       2.62458  -0.00001   0.00194   0.00016   0.00210   2.62668
   D311      -1.59077  -0.00001   0.00302   0.00032   0.00334  -1.58744
   D312       3.00735   0.00000   0.00224   0.00024   0.00247   3.00982
   D313      -1.20800   0.00000   0.00332   0.00039   0.00371  -1.20430
   D314      -0.40837  -0.00001   0.00450   0.00035   0.00484  -0.40353
   D315       1.65946  -0.00001   0.00558   0.00050   0.00608   1.66554
   D316      -0.27548   0.00000   0.00354   0.00045   0.00398  -0.27149
   D317       1.79236   0.00000   0.00462   0.00060   0.00522   1.79758
   D318       0.14345   0.00000   0.00319   0.00053   0.00373   0.14718
   D319       2.21128   0.00000   0.00427   0.00069   0.00497   2.21625
   D320       0.28167   0.00000   0.00338   0.00062   0.00399   0.28567
   D321       2.34951  -0.00001   0.00446   0.00077   0.00523   2.35474
   D322      -0.54871   0.00000   0.00298   0.00052   0.00349  -0.54523
   D323       1.51912   0.00000   0.00406   0.00067   0.00472   1.52384
   D324      -0.58870   0.00000   0.00345   0.00018   0.00364  -0.58506
   D325       1.47913   0.00000   0.00453   0.00033   0.00487   1.48401
   D326       0.02391   0.00001  -0.00259   0.00024  -0.00239   0.02152
   D327       2.20711   0.00001  -0.00167   0.00062  -0.00110   2.20602
   D328       0.34091   0.00001  -0.00259   0.00014  -0.00244   0.33847
   D329       2.52412   0.00001  -0.00167   0.00051  -0.00115   2.52297
   D330       0.70174   0.00000  -0.00261   0.00015  -0.00243   0.69931
   D331       2.88495   0.00000  -0.00169   0.00053  -0.00113   2.88381
   D332       0.97889   0.00000  -0.00231   0.00024  -0.00209   0.97680
   D333      -3.12109  -0.00001  -0.00140   0.00062  -0.00079  -3.12188
   D334       0.30462   0.00000  -0.00274  -0.00012  -0.00283   0.30179
   D335       2.48782  -0.00001  -0.00182   0.00026  -0.00153   2.48629
   D336       0.68656  -0.00002  -0.00424  -0.00038  -0.00457   0.68199
   D337       2.86976  -0.00002  -0.00332   0.00000  -0.00327   2.86649
   D338      -2.38414   0.00001  -0.00259   0.00035  -0.00223  -2.38637
   D339      -0.20094   0.00001  -0.00167   0.00073  -0.00093  -0.20187
   D340      -1.99619   0.00000  -0.00248   0.00028  -0.00223  -1.99842
   D341       0.18701   0.00000  -0.00156   0.00065  -0.00093   0.18608
   D342      -1.94786   0.00000  -0.00285   0.00010  -0.00277  -1.95064
   D343       0.23534   0.00000  -0.00194   0.00048  -0.00148   0.23386
   D344      -1.65444   0.00000  -0.00288   0.00005  -0.00287  -1.65731
   D345       0.52876  -0.00001  -0.00197   0.00042  -0.00157   0.52719
   D346      -1.61544   0.00000  -0.00198   0.00033  -0.00173  -1.61717
   D347       0.56776   0.00000  -0.00106   0.00071  -0.00043   0.56733
   D348      -1.30894   0.00000  -0.00198   0.00025  -0.00181  -1.31074
   D349       0.87427   0.00000  -0.00106   0.00063  -0.00051   0.87376
   D350       1.77625   0.00000  -0.00368   0.00008  -0.00362   1.77264
   D351      -2.32373  -0.00001  -0.00276   0.00045  -0.00232  -2.32605
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   D353      -1.90825   0.00000  -0.00348   0.00043  -0.00306  -1.91131
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   D355      -1.71175   0.00000  -0.00592   0.00025  -0.00570  -1.71744
   D356       3.02295   0.00001  -0.00638   0.00026  -0.00603   3.01692
   D357      -1.07703   0.00001  -0.00547   0.00064  -0.00473  -1.08176
   D358       2.53401   0.00001  -0.00334   0.00020  -0.00313   2.53088
   D359      -1.56597   0.00000  -0.00242   0.00057  -0.00183  -1.56781
   D360       1.61645   0.00001  -0.00163  -0.00016  -0.00176   1.61468
   D361      -2.48353   0.00001  -0.00071   0.00021  -0.00047  -2.48400
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   D363      -2.33387   0.00001  -0.00171   0.00022  -0.00144  -2.33530
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   D365      -1.35867  -0.00001  -0.00008   0.00034   0.00029  -1.35838
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   D434      -2.23342   0.00007   0.01120   0.00148   0.01266  -2.22076
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   D441       0.72405   0.00003  -0.00008   0.00017   0.00007   0.72412
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   D444      -0.00458   0.00001  -0.00051   0.00028  -0.00023  -0.00481
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   D449      -1.75853   0.00000   0.00232  -0.00028   0.00205  -1.75649
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   D451      -0.68230   0.00000   0.00168  -0.00007   0.00160  -0.68070
   D452       1.40308   0.00000   0.00162  -0.00005   0.00157   1.40465
   D453      -2.77170  -0.00002   0.00171  -0.00005   0.00165  -2.77004
   D454       2.05807   0.00000  -0.00079   0.00017  -0.00063   2.05744
   D455      -2.14031   0.00000  -0.00076   0.00009  -0.00068  -2.14099
   D456      -0.04703   0.00000  -0.00087   0.00014  -0.00074  -0.04777
   D457      -1.10356   0.00000  -0.00008  -0.00006  -0.00015  -1.10371
   D458       0.98125   0.00000  -0.00006  -0.00014  -0.00020   0.98105
   D459       3.07452   0.00000  -0.00017  -0.00009  -0.00026   3.07426
   D460      -3.08175   0.00001  -0.00011   0.00003  -0.00008  -3.08183
   D461      -0.02906   0.00001   0.00118  -0.00003   0.00115  -0.02791
   D462       0.07326   0.00001  -0.00041   0.00020  -0.00021   0.07305
   D463       3.12596   0.00001   0.00088   0.00014   0.00102   3.12697
   D464       1.93478   0.00000  -0.00070  -0.00054  -0.00124   1.93354
   D465      -2.26538  -0.00001  -0.00086  -0.00053  -0.00140  -2.26678
   D466      -0.17223  -0.00001  -0.00072  -0.00067  -0.00140  -0.17362
   D467      -1.12151  -0.00001  -0.00193  -0.00048  -0.00240  -1.12391
   D468       0.96151  -0.00001  -0.00209  -0.00047  -0.00256   0.95895
   D469       3.05467  -0.00001  -0.00195  -0.00061  -0.00256   3.05211
   D470      -1.63912   0.00000   0.00415   0.00062   0.00477  -1.63435
   D471       0.46524  -0.00001   0.00418   0.00057   0.00475   0.46999
   D472       2.55714  -0.00001   0.00352   0.00055   0.00407   2.56120
   D473       1.41754   0.00000   0.00539   0.00055   0.00594   1.42348
   D474      -2.76128   0.00000   0.00542   0.00050   0.00591  -2.75537
   D475      -0.66939  -0.00001   0.00476   0.00048   0.00524  -0.66415
   D476       0.00445   0.00000   0.00230  -0.00042   0.00188   0.00633
   D477      -3.09234  -0.00002  -0.00391  -0.00073  -0.00464  -3.09698
   D478       3.12072   0.00001   0.00279  -0.00031   0.00249   3.12321
   D479       0.02394   0.00000  -0.00342  -0.00061  -0.00404   0.01990
   D480      -0.28916  -0.00001  -0.00243   0.00013  -0.00230  -0.29146
   D481       1.81604   0.00004  -0.00209   0.00037  -0.00171   1.81433
   D482      -2.38093  -0.00002  -0.00296   0.00014  -0.00279  -2.38371
   D483       2.80967   0.00001   0.00353   0.00041   0.00394   2.81361
   D484      -1.36831   0.00006   0.00387   0.00065   0.00453  -1.36378
   D485       0.71791   0.00000   0.00299   0.00042   0.00345   0.72136
   D486       0.01067   0.00003   0.00708  -0.00049   0.00659   0.01726
   D487       2.10248   0.00001   0.00728  -0.00064   0.00667   2.10914
   D488      -2.09493   0.00001   0.00718  -0.00062   0.00657  -2.08835
   D489      -3.08828   0.00001   0.00115  -0.00077   0.00038  -3.08791
   D490      -0.99648  -0.00001   0.00135  -0.00092   0.00045  -0.99603
   D491       1.08931   0.00000   0.00125  -0.00091   0.00036   1.08966
         Item               Value     Threshold  Converged?
 Maximum Force            0.000098     0.000450     YES
 RMS     Force            0.000014     0.000300     YES
 Maximum Displacement     0.023317     0.001800     NO 
 RMS     Displacement     0.002190     0.001200     NO 
 Predicted change in Energy=-7.965120D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:42:21 2016, MaxMem=  2952790016 cpu:         7.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.849990   -0.611684    1.687687
      2          6           0       -2.126286    1.069179   -1.360738
      3          8           0       -2.658857    0.078914   -1.891416
      4          7           0       -0.835314    1.139241   -0.935585
      5          1           0       -2.690098    2.002103   -1.159678
      6          6           0       -0.324925    2.312699   -0.225410
      7          1           0       -1.085947    3.105424   -0.227759
      8          1           0       -0.079769    2.044301    0.814976
      9          1           0        0.587837    2.681110   -0.720838
     10          6           0        0.093074    0.017375   -1.097143
     11          1           0        0.654446   -0.125779   -0.160546
     12          1           0       -0.473684   -0.894341   -1.326969
     13          1           0        0.808427    0.223738   -1.910220
     14          6           0       -1.979408   -4.036647    2.611000
     15          8           0       -2.123364   -3.891842    3.837095
     16          7           0       -2.908499   -3.732064    1.664693
     17          1           0       -1.037873   -4.421030    2.171088
     18          6           0       -4.220967   -3.187787    2.022278
     19          1           0       -4.491013   -2.405470    1.295383
     20          1           0       -4.990650   -3.977130    1.996432
     21          1           0       -4.174297   -2.753807    3.029583
     22          6           0       -2.638587   -3.907526    0.237345
     23          1           0       -3.335771   -4.643806   -0.195255
     24          1           0       -2.774046   -2.946419   -0.286053
     25          1           0       -1.605297   -4.254308    0.096566
     26          6           0        1.530464    0.377692    2.624919
     27          8           0        1.356594    1.393328    3.319610
     28          7           0        1.156228   -0.885473    2.966156
     29          1           0        2.011027    0.422227    1.627685
     30          6           0        1.468408   -2.034300    2.115544
     31          1           0        2.219791   -2.678722    2.602159
     32          1           0        0.557546   -2.630512    1.945978
     33          1           0        1.855467   -1.682438    1.149478
     34          6           0        0.518183   -1.166089    4.254927
     35          1           0        1.269254   -1.464219    5.006300
     36          1           0       -0.007437   -0.267307    4.601438
     37          1           0       -0.199860   -1.988991    4.125961
     38          6           0       -4.574652    1.284719    2.895785
     39          8           0       -4.813067    1.944115    1.869967
     40          7           0       -3.478156    1.422201    3.690822
     41          1           0       -5.251990    0.480588    3.248534
     42          6           0       -2.434905    2.409284    3.402001
     43          1           0       -2.534005    2.748825    2.363032
     44          1           0       -2.521407    3.272747    4.082643
     45          1           0       -1.447213    1.944668    3.545806
     46          6           0       -3.261023    0.557475    4.850857
     47          1           0       -4.080852   -0.170200    4.927812
     48          1           0       -2.306952    0.016167    4.738991
     49          1           0       -3.215814    1.159900    5.772976
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.492067   0.000000
     3  O    3.733788   1.243333   0.000000
     4  N    3.313134   1.360982   2.315862   0.000000
     5  H    3.955395   1.108447   2.057929   2.057905   0.000000
     6  C    3.812843   2.465809   3.634915   1.463506   2.561908
     7  H    4.250833   2.551909   3.794939   2.104687   2.158493
     8  H    3.309012   3.142105   4.223624   2.110556   3.273356
     9  H    4.752524   3.220909   4.322349   2.109227   3.376165
    10  C    3.453475   2.470088   2.864923   1.465124   3.418933
    11  H    3.150280   3.255896   3.743767   2.102462   4.088046
    12  H    3.325998   2.566641   2.457806   2.102240   3.651009
    13  H    4.550829   3.103102   3.470359   2.118949   3.995694
    14  C    3.549596   6.470374   6.137691   6.377855   7.154691
    15  O    3.931174   7.185347   6.990673   7.053322   7.747743
    16  N    3.295109   5.728614   5.218408   5.898232   6.395736
    17  H    3.924835   6.618220   6.275430   6.372524   7.421623
    18  C    3.517071   5.827027   5.331840   6.239773   6.277209
    19  H    3.216610   4.971932   4.436739   5.559346   5.356988
    20  H    4.613599   6.703760   6.083100   7.213930   7.141764
    21  H    3.433916   6.171263   5.876827   6.482837   6.509334
    22  C    3.686185   5.252040   4.519264   5.486111   6.072729
    23  H    4.691591   5.954780   5.063523   6.343816   6.746489
    24  H    3.193825   4.207086   3.426821   4.568718   5.025747
    25  H    3.982493   5.543887   4.882507   5.545140   6.472837
    26  C    3.644822   5.453021   6.167411   4.342125   5.897036
    27  O    4.118910   5.843046   6.708676   4.793298   6.067153
    28  N    3.278229   5.772138   6.251474   4.825898   6.336784
    29  H    3.997502   5.144568   5.857453   3.896938   5.689111
    30  C    3.635748   5.885401   6.128273   4.968691   6.656786
    31  H    4.655322   6.974217   7.183174   6.035407   7.756839
    32  H    3.152556   5.641369   5.693139   4.945149   6.453946
    33  H    3.894431   5.452242   5.720885   4.421501   6.290486
    34  C    3.536429   6.597373   7.030018   5.838486   7.046166
    35  H    4.633539   7.647677   8.086396   6.820059   8.106241
    36  H    3.464612   6.467090   7.021898   5.772554   6.748137
    37  H    3.250397   6.570189   6.821417   5.984053   7.075881
    38  C    3.532652   4.915174   5.295425   5.355670   4.529124
    39  O    3.917290   4.292057   4.718856   4.933706   3.699880
    40  N    3.286360   5.241224   5.799746   5.335571   4.948199
    41  H    3.899090   5.600165   5.771028   6.119452   5.320774
    42  C    3.522392   4.957298   5.788008   4.794408   4.586920
    43  H    3.495280   4.105351   5.024375   4.044402   3.604365
    44  H    4.612528   5.885765   6.775607   5.707659   5.396752
    45  H    3.185870   5.030088   5.874734   4.594126   4.867201
    46  C    3.655625   6.335092   6.786006   6.301225   6.208015
    47  H    3.958543   6.700914   6.970366   6.828438   6.611402
    48  H    3.148566   6.192589   6.640036   5.968905   6.235787
    49  H    4.657636   7.217006   7.760261   7.118427   7.003384
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098897   0.000000
     8  H    1.102062   1.796015   0.000000
     9  H    1.101957   1.795751   1.791633   0.000000
    10  C    2.490613   3.417889   2.791864   2.735303   0.000000
    11  H    2.628602   3.670716   2.489972   2.863039   1.101293
    12  H    3.394210   4.193000   3.657693   3.778634   1.097843
    13  H    2.913215   3.837113   3.395590   2.738972   1.102457
    14  C    7.148198   7.737312   6.619083   7.925917   5.872018
    15  O    7.631164   8.158493   6.967588   8.445654   6.673925
    16  N    6.840065   7.324909   6.487690   7.684004   5.540348
    17  H    7.182938   7.899638   6.675141   7.838786   5.626705
    18  C    7.105391   7.382107   6.780991   8.068037   6.214080
    19  H    6.475355   6.654652   6.284134   7.465465   5.710360
    20  H    8.140486   8.387866   7.859403   9.101386   7.167323
    21  H    7.147176   7.380973   6.685169   8.141369   6.551318
    22  C    6.652697   7.197811   6.504264   7.398517   4.964642
    23  H    7.580175   8.069282   7.506856   8.326184   5.856362
    24  H    5.801740   6.283142   5.777428   6.569656   4.202655
    25  H    6.698402   7.385158   6.520416   7.319700   4.749387
    26  C    3.912939   4.735388   2.940464   4.169937   4.006203
    27  O    4.029878   4.634771   2.959746   4.309825   4.795565
    28  N    4.754809   5.581729   3.839120   5.161154   4.296025
    29  H    3.530512   4.498162   2.768221   3.555782   3.356656
    30  C    5.252857   6.199400   4.552287   5.572752   4.052440
    31  H    6.275747   7.238279   5.548779   6.514092   5.047445
    32  H    5.470741   6.350367   4.851723   5.943581   4.060495
    33  H    4.754529   5.785527   4.212555   4.913810   3.323056
    34  C    5.734650   6.396368   4.743144   6.289995   5.497814
    35  H    6.646600   7.336482   5.629988   7.102689   6.389877
    36  H    5.482307   5.988292   4.436898   6.113439   5.706572
    37  H    6.120017   6.759666   5.219625   6.776561   5.602868
    38  C    5.372037   5.024197   5.011058   6.456095   6.271945
    39  O    4.966878   4.431762   4.850479   6.035329   6.048660
    40  N    5.106146   4.889906   4.495168   6.130244   6.136109
    41  H    6.300864   6.027461   5.926151   7.396065   6.904287
    42  C    4.197554   3.934393   3.517467   5.119439   5.688075
    43  H    3.430784   2.989353   2.985985   4.388705   5.131781
    44  H    4.930066   4.546219   4.260085   5.752466   6.653055
    45  H    3.951841   3.964550   3.055694   4.784143   5.257748
    46  C    6.121273   6.084023   5.349708   7.096995   6.849845
    47  H    6.843060   6.802872   6.150455   7.863451   7.331911
    48  H    5.817883   5.975195   4.946874   6.729893   6.310355
    49  H    6.757724   6.658094   5.932850   7.677986   7.710554
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795524   0.000000
    13  H    1.790875   1.798358   0.000000
    14  C    5.469327   5.258221   6.809136   0.000000
    15  O    6.154721   6.194677   7.652779   1.242981   0.000000
    16  N    5.388075   4.788636   6.499531   1.360691   2.315448
    17  H    5.172005   4.999225   6.452888   1.108043   2.057647
    18  C    6.157130   5.524443   7.238635   2.468146   2.861677
    19  H    5.813129   5.029829   6.728499   3.271047   3.778276
    20  H    7.166070   6.399341   8.157114   3.073893   3.408320
    21  H    6.356115   6.010964   7.622005   2.576515   2.480630
    22  C    5.030307   4.026558   5.793210   2.466866   3.636469
    23  H    6.027902   4.850856   6.618797   3.175441   4.277292
    24  H    4.441432   3.253643   5.051923   3.195773   4.279903
    25  H    4.713522   3.820521   5.468652   2.551414   3.793591
    26  C    2.963056   4.609999   4.594836   5.639661   5.748804
    27  O    3.861630   5.493091   5.386980   6.412150   6.349088
    28  N    3.256560   4.592125   5.013019   4.459624   4.533488
    29  H    2.310496   4.078863   3.741980   6.063995   6.370704
    30  C    3.079865   4.113651   4.662733   4.017749   4.394887
    31  H    4.074354   5.086931   5.547773   4.413310   4.675438
    32  H    3.274220   3.845765   4.804159   2.975837   3.514905
    33  H    2.362584   3.489819   3.753872   4.731238   5.285438
    34  C    4.538415   5.675845   6.326524   4.144944   3.818650
    35  H    5.372681   6.593397   7.134410   4.786298   4.332465
    36  H    4.809845   5.979679   6.580915   4.696641   4.265984
    37  H    4.751372   5.568455   6.507557   3.107217   2.721057
    38  C    6.218852   6.276774   7.293895   5.927338   5.804452
    39  O    6.188791   6.091591   6.989328   6.659450   6.720305
    40  N    5.857275   6.290584   7.154214   5.762924   5.485974
    41  H    6.846567   6.757060   7.962874   5.614415   5.408590
    42  C    5.353725   6.092904   6.596628   6.510237   6.323809
    43  H    4.979760   5.579757   5.984028   6.812613   6.814686
    44  H    6.296084   7.128934   7.503243   7.475743   7.179837
    45  H    4.737168   5.722907   6.149612   6.077271   5.882761
    46  C    6.396241   6.931275   7.898352   5.269294   4.703021
    47  H    6.951000   7.256606   8.415397   4.973239   4.344196
    48  H    5.726734   6.402013   7.345793   4.589220   4.014929
    49  H    7.199901   7.883426   8.723670   6.207327   5.519165
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056782   0.000000
    18  C    1.465154   3.416887   0.000000
    19  H    2.097759   4.093106   1.101508   0.000000
    20  H    2.122607   3.981457   1.102789   1.791987   0.000000
    21  H    2.102892   3.654285   1.097807   1.796969   1.797318
    22  C    1.463202   2.562291   2.491573   2.609042   2.937930
    23  H    2.115003   3.305986   2.796608   2.926898   2.826052
    24  H    2.107303   3.350570   2.735001   2.396152   3.344464
    25  H    2.104779   2.157176   3.418708   3.630802   3.891906
    26  C    6.125072   5.461689   6.793730   6.765489   7.866663
    27  O    6.870182   6.392130   7.333407   7.261052   8.419033
    28  N    5.130194   4.236316   5.925013   6.082204   6.948584
    29  H    6.439040   5.748757   7.212880   7.098086   8.277306
    30  C    4.716247   3.461359   5.805878   6.027034   6.745977
    31  H    5.318621   3.719386   6.486815   6.842311   7.351410
    32  H    3.647740   2.408732   4.811503   5.095279   5.709502
    33  H    5.211697   4.112783   6.320673   6.389200   7.269956
    34  C    5.003568   4.166334   5.615294   5.948699   6.584071
    35  H    5.810600   4.701488   6.482098   6.916468   7.386503
    36  H    5.389357   4.921565   5.738911   5.966925   6.736561
    37  H    4.053747   3.230883   4.693814   5.157482   5.607072
    38  C    5.427685   6.752004   4.570712   4.023155   5.354338
    39  O    5.990703   7.406607   5.168191   4.399177   5.925257
    40  N    5.567419   6.512136   4.958608   4.627642   5.857591
    41  H    5.074144   6.553284   4.002959   3.566962   4.637597
    42  C    6.399897   7.079550   6.034969   5.643339   7.020950
    43  H    6.529153   7.326805   6.181044   5.615738   7.169935
    44  H    7.420491   8.065303   6.990858   6.624977   7.937893
    45  H    6.156234   6.525298   6.029671   5.766526   7.072778
    46  C    5.355003   6.075283   4.790546   4.788874   5.630452
    47  H    4.970838   5.910059   4.191371   4.284764   4.890137
    48  H    4.884916   5.281420   4.616200   4.742667   5.538076
    49  H    6.395604   6.990265   5.829276   5.864030   6.618264
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389110   0.000000
    23  H    3.830770   1.102414   0.000000
    24  H    3.604337   1.102734   1.790224   0.000000
    25  H    4.177781   1.098983   1.797612   1.795256   0.000000
    26  C    6.520301   6.437747   7.539831   6.168652   6.138484
    27  O    6.919074   7.318530   8.415435   6.992596   7.145390
    28  N    5.648822   5.565953   6.655647   5.501947   5.216284
    29  H    7.093006   6.503746   7.587888   6.156873   6.106726
    30  C    5.761361   4.889174   5.935440   4.959642   4.295622
    31  H    6.408798   5.541312   6.523139   5.775105   4.836503
    32  H    4.855897   3.842585   4.878129   4.022594   3.276420
    33  H    6.406300   5.097012   6.125925   5.009071   4.438471
    34  C    5.103105   5.798417   6.837514   5.884628   5.598056
    35  H    5.933185   6.632036   7.640170   6.823063   6.336649
    36  H    5.100601   6.262543   7.296561   6.222486   6.224403
    37  H    4.193225   4.974887   5.962792   5.197016   4.831453
    38  C    4.060526   6.146142   6.799761   5.591852   6.879935
    39  O    4.880902   6.452560   7.060329   5.720433   7.201055
    40  N    4.284961   6.406042   7.205436   5.949466   6.974886
    41  H    3.416236   5.928970   6.464595   5.511614   6.756664
    42  C    5.460923   7.068141   7.968556   6.511552   7.484491
    43  H    5.780467   6.988311   7.863755   6.285784   7.419113
    44  H    6.337217   8.145942   9.035231   7.604430   8.566482
    45  H    5.457026   6.827405   7.808339   6.353452   7.095741
    46  C    3.887891   6.450439   7.247217   6.237168   6.964048
    47  H    3.207340   6.168324   6.842083   6.049754   6.793324
    48  H    3.752573   5.980817   6.864444   5.852022   6.346762
    49  H    4.874628   7.526966   8.325694   7.332725   8.008062
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242717   0.000000
    28  N    1.360912   2.314738   0.000000
    29  H    1.107881   2.057652   2.057247   0.000000
    30  C    2.465972   3.634682   1.463148   2.562609   0.000000
    31  H    3.133266   4.223913   2.116460   3.257156   1.103019
    32  H    3.233701   4.326272   2.108162   3.396046   1.101767
    33  H    2.554739   3.797195   2.103428   2.163908   1.098592
    34  C    2.462702   2.851029   1.465189   3.413756   2.496735
    35  H    3.021893   3.319356   2.123654   3.940043   2.953155
    36  H    2.586076   2.502273   2.100093   3.659625   3.388222
    37  H    3.293681   3.809571   2.098065   4.116233   2.612844
    38  C    6.178066   5.947361   6.128431   6.761888   6.938533
    39  O    6.577538   6.361567   6.696318   6.995934   7.439424
    40  N    5.226224   4.849066   5.227621   5.948749   6.236778
    41  H    6.811839   6.671695   6.558286   7.441906   7.264439
    42  C    4.522762   3.926120   4.893018   5.182944   6.052790
    43  H    4.712829   4.229559   5.214374   5.158595   6.241702
    44  H    5.188831   4.376451   5.662361   5.890267   6.924800
    45  H    3.488554   2.866439   3.888907   4.237504   5.136018
    46  C    5.286348   4.936168   5.014609   6.180748   6.047046
    47  H    6.090186   5.881900   5.637971   6.953617   6.494460
    48  H    4.396107   4.163265   3.993684   5.337607   5.033909
    49  H    5.748849   5.194267   5.583596   6.711741   6.746975
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787723   0.000000
    33  H    1.798776   1.793838   0.000000
    34  C    2.813392   2.734472   3.420345   0.000000
    35  H    2.856297   3.351468   3.907216   1.103426   0.000000
    36  H    3.843512   3.599362   4.170016   1.097339   1.796232
    37  H    2.941499   2.395317   3.630124   1.099721   1.791278
    38  C    7.871438   6.524617   7.293836   5.812976   6.794274
    39  O    8.447948   7.055245   7.624982   6.616920   7.645125
    40  N    7.104179   5.979620   6.674186   4.794599   5.709623
    41  H    8.137969   6.717611   7.720147   6.084345   7.028416
    42  C    6.942172   6.039397   6.342188   4.715029   5.594514
    43  H    7.219004   6.218431   6.354233   5.312406   6.261100
    44  H    7.751824   6.992407   7.232866   5.382569   6.136864
    45  H    5.976046   5.245072   5.459486   3.747324   4.597036
    46  C    6.750477   5.760474   6.700440   4.196213   4.963347
    47  H    7.169341   6.038146   7.197399   4.753492   5.504932
    48  H    5.685058   4.796997   5.752877   3.100553   3.879722
    49  H    7.371222   6.576579   7.427888   4.653754   5.252583
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796468   0.000000
    38  C    5.116394   5.600831   0.000000
    39  O    5.953604   6.468424   1.242557   0.000000
    40  N    3.966050   4.751084   1.361355   2.317303   0.000000
    41  H    5.467635   5.691459   1.108984   2.057915   2.056390
    42  C    3.807282   4.986418   2.469700   2.866908   1.464965
    43  H    4.526705   5.568038   2.567425   2.466737   2.101042
    44  H    4.372777   5.751290   3.094625   3.451507   2.119767
    45  H    2.842560   4.167270   3.261737   3.759974   2.102077
    46  C    3.365754   4.047305   2.465119   3.635563   1.463072
    47  H    4.087623   4.360397   2.547501   3.789048   2.104549
    48  H    2.321001   2.972591   3.185765   4.269531   2.108864
    49  H    3.701771   4.660918   3.184376   4.289486   2.114945
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417511   0.000000
    43  H    3.649172   1.097526   0.000000
    44  H    3.993491   1.102871   1.797697   0.000000
    45  H    4.087569   1.100947   1.796312   1.790498   0.000000
    46  C    2.556814   2.492159   3.394090   2.917171   2.630089
    47  H    2.148270   3.419207   4.182288   3.872991   3.649473
    48  H    3.333226   2.744253   3.628243   3.328978   2.425274
    49  H    3.313651   2.791470   3.823253   2.793483   2.950271
                   46         47         48         49
    46  C    0.000000
    47  H    1.098886   0.000000
    48  H    1.102624   1.793630   0.000000
    49  H    1.102390   1.797710   1.789772   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2140319      0.1925988      0.1850511
 Leave Link  202 at Mon Nov 14 01:42:21 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1177671358 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842095006 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9335576352 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4036
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.24D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     220
 GePol: Fraction of low-weight points (<1% of avg)   =       5.45%
 GePol: Cavity surface area                          =    466.271 Ang**2
 GePol: Cavity volume                                =    457.942 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039949103 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9295627248 Hartrees.
 Leave Link  301 at Mon Nov 14 01:42:21 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11976 LenP2D=   37509.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:42:22 2016, MaxMem=  2952790016 cpu:        15.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:42:23 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001214   -0.000851    0.000652
         Rot=    1.000000    0.000000    0.000060    0.000080 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50895189660    
 Leave Link  401 at Mon Nov 14 01:42:30 2016, MaxMem=  2952790016 cpu:        81.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48867888.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.99D-15 for   2390.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.17D-14 for   2659   1791.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.77D-15 for   3858.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.20D-11 for   1894   1886.
 E= -1013.45115856642    
 DIIS: error= 2.52D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45115856642     IErMin= 1 ErrMin= 2.52D-04
 ErrMax= 2.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.05D-05 BMatP= 5.05D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.52D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.33D-05 MaxDP=1.50D-03              OVMax= 2.76D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.33D-05    CP:  1.00D+00
 E= -1013.45125152017     Delta-E=       -0.000092953753 Rises=F Damp=F
 DIIS: error= 4.55D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45125152017     IErMin= 2 ErrMin= 4.55D-05
 ErrMax= 4.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-06 BMatP= 5.05D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.292D-01 0.971D+00
 Coeff:      0.292D-01 0.971D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.51D-06 MaxDP=5.70D-04 DE=-9.30D-05 OVMax= 1.00D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.11D-06    CP:  1.00D+00  9.38D-01
 E= -1013.45124717704     Delta-E=        0.000004343136 Rises=F Damp=F
 DIIS: error= 1.16D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45125152017     IErMin= 2 ErrMin= 4.55D-05
 ErrMax= 1.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.37D-06 BMatP= 1.37D-06
 IDIUse=3 WtCom= 4.81D-01 WtEn= 5.19D-01
 Coeff-Com:  0.221D-02 0.695D+00 0.303D+00
 Coeff-En:   0.000D+00 0.775D+00 0.225D+00
 Coeff:      0.106D-02 0.737D+00 0.262D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.15D-06 MaxDP=4.23D-04 DE= 4.34D-06 OVMax= 7.49D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.61D-06    CP:  1.00D+00  9.60D-01  4.00D-01
 E= -1013.45125266965     Delta-E=       -0.000005492616 Rises=F Damp=F
 DIIS: error= 9.22D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45125266965     IErMin= 4 ErrMin= 9.22D-06
 ErrMax= 9.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-07 BMatP= 1.37D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.261D-03 0.299D+00 0.119D+00 0.582D+00
 Coeff:     -0.261D-03 0.299D+00 0.119D+00 0.582D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.33D-06 MaxDP=5.75D-05 DE=-5.49D-06 OVMax= 8.73D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.55D-07    CP:  1.00D+00  9.68D-01  3.61D-01  6.29D-01
 E= -1013.45125273825     Delta-E=       -0.000000068599 Rises=F Damp=F
 DIIS: error= 5.86D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45125273825     IErMin= 5 ErrMin= 5.86D-06
 ErrMax= 5.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-08 BMatP= 1.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.348D-04 0.163D+00 0.640D-01 0.398D+00 0.374D+00
 Coeff:     -0.348D-04 0.163D+00 0.640D-01 0.398D+00 0.374D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.42D-07 MaxDP=2.14D-05 DE=-6.86D-08 OVMax= 4.09D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.99D-07    CP:  1.00D+00  9.69D-01  3.54D-01  6.40D-01  5.81D-01
 E= -1013.45125276749     Delta-E=       -0.000000029243 Rises=F Damp=F
 DIIS: error= 2.62D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45125276749     IErMin= 6 ErrMin= 2.62D-07
 ErrMax= 2.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-10 BMatP= 3.59D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.187D-04 0.453D-01 0.176D-01 0.117D+00 0.128D+00 0.692D+00
 Coeff:     -0.187D-04 0.453D-01 0.176D-01 0.117D+00 0.128D+00 0.692D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.69D-08 MaxDP=1.89D-06 DE=-2.92D-08 OVMax= 2.91D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.23D-08    CP:  1.00D+00  9.69D-01  3.55D-01  6.46D-01  5.84D-01
                    CP:  9.54D-01
 E= -1013.45125276751     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 1.77D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45125276751     IErMin= 7 ErrMin= 1.77D-07
 ErrMax= 1.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-11 BMatP= 1.35D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D-04 0.129D-01 0.503D-02 0.354D-01 0.427D-01 0.376D+00
 Coeff-Com:  0.528D+00
 Coeff:     -0.123D-04 0.129D-01 0.503D-02 0.354D-01 0.427D-01 0.376D+00
 Coeff:      0.528D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.98D-08 MaxDP=8.61D-07 DE=-1.64D-11 OVMax= 1.03D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.47D-08    CP:  1.00D+00  9.69D-01  3.55D-01  6.46D-01  5.85D-01
                    CP:  9.61D-01  7.58D-01
 E= -1013.45125276759     Delta-E=       -0.000000000075 Rises=F Damp=F
 DIIS: error= 6.43D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45125276759     IErMin= 8 ErrMin= 6.43D-08
 ErrMax= 6.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-12 BMatP= 3.26D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.567D-05 0.338D-02 0.132D-02 0.987D-02 0.130D-01 0.149D+00
 Coeff-Com:  0.292D+00 0.532D+00
 Coeff:     -0.567D-05 0.338D-02 0.132D-02 0.987D-02 0.130D-01 0.149D+00
 Coeff:      0.292D+00 0.532D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.94D-09 MaxDP=4.27D-07 DE=-7.50D-11 OVMax= 8.19D-07

 Error on total polarization charges =  0.04294
 SCF Done:  E(RB97D) =  -1013.45125277     A.U. after    8 cycles
            NFock=  8  Conv=0.79D-08     -V/T= 2.0213
 KE= 9.923505245640D+02 PE=-6.027337075776D+03 EE= 2.173605735719D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:44:08 2016, MaxMem=  2952790016 cpu:      1118.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11976 LenP2D=   37509.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 01:44:16 2016, MaxMem=  2952790016 cpu:        97.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:44:16 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:44:53 2016, MaxMem=  2952790016 cpu:       442.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.27626943D+00-2.71487770D+00 3.29357111D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000097875   -0.000145422   -0.000081845
      2        6           0.000047444   -0.000011646   -0.000058005
      3        8           0.000001091    0.000056630    0.000001525
      4        7          -0.000003775    0.000053175    0.000131171
      5        1           0.000016100    0.000024885    0.000062996
      6        6           0.000104459    0.000015129    0.000051366
      7        1          -0.000010034   -0.000005323    0.000057579
      8        1           0.000048877   -0.000014316   -0.000004312
      9        1          -0.000011193    0.000031838   -0.000031589
     10        6           0.000008914    0.000102260    0.000056315
     11        1           0.000025211    0.000049416    0.000025136
     12        1           0.000031028    0.000025686    0.000002775
     13        1           0.000022935    0.000031840    0.000013779
     14        6          -0.000001905    0.000006170    0.000027572
     15        8          -0.000011193   -0.000028840   -0.000033287
     16        7          -0.000044043    0.000002914   -0.000016835
     17        1          -0.000003567    0.000011556   -0.000035787
     18        6           0.000009599    0.000051537   -0.000021896
     19        1          -0.000020384    0.000040789    0.000016009
     20        1          -0.000004897    0.000004684   -0.000051572
     21        1          -0.000032590   -0.000038099   -0.000013595
     22        6          -0.000017253    0.000025293   -0.000019702
     23        1           0.000002089    0.000034855   -0.000068028
     24        1          -0.000019579    0.000012633   -0.000015960
     25        1           0.000005340    0.000016374   -0.000031825
     26        6          -0.000009619   -0.000001664    0.000026352
     27        8           0.000022274   -0.000022322    0.000030758
     28        7          -0.000002100   -0.000020593   -0.000006035
     29        1          -0.000018616   -0.000004443    0.000017748
     30        6           0.000041396    0.000030141    0.000017668
     31        1           0.000001813   -0.000021671   -0.000022218
     32        1           0.000010006    0.000004966   -0.000022974
     33        1          -0.000021799    0.000010042    0.000002870
     34        6           0.000003194   -0.000041609   -0.000040815
     35        1          -0.000020219   -0.000033945    0.000010720
     36        1           0.000000736   -0.000018965    0.000037690
     37        1          -0.000020593   -0.000011296   -0.000009316
     38        6          -0.000097576   -0.000050706   -0.000020857
     39        8           0.000035000   -0.000005919   -0.000033030
     40        7          -0.000041679    0.000006114   -0.000069718
     41        1           0.000021074   -0.000009582   -0.000008568
     42        6          -0.000110782    0.000085776   -0.000028620
     43        1           0.000015849   -0.000056411    0.000005213
     44        1           0.000062671   -0.000037066    0.000067178
     45        1           0.000043872   -0.000089643    0.000053741
     46        6          -0.000124865    0.000028069    0.000106451
     47        1          -0.000022294   -0.000038242   -0.000044722
     48        1           0.000008382   -0.000020461   -0.000035299
     49        1          -0.000016677   -0.000034589    0.000003797
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000145422 RMS     0.000042130
 Leave Link  716 at Mon Nov 14 01:44:53 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000053604 RMS     0.000010859
 Search for a local minimum.
 Step number  33 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .10859D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   24   25   26   27   28
                                                     29   30   31   32   33
 DE= -6.24D-06 DEPred=-7.97D-07 R= 7.84D+00
 TightC=F SS=  1.41D+00  RLast= 6.79D-02 DXNew= 2.2445D+00 2.0359D-01
 Trust test= 7.84D+00 RLast= 6.79D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00023   0.00062   0.00098   0.00140   0.00246
     Eigenvalues ---    0.00334   0.00351   0.00401   0.00499   0.00596
     Eigenvalues ---    0.00685   0.00709   0.00773   0.00798   0.00876
     Eigenvalues ---    0.00917   0.01015   0.01033   0.01046   0.01139
     Eigenvalues ---    0.01200   0.01263   0.01315   0.01357   0.01519
     Eigenvalues ---    0.01556   0.01592   0.01629   0.01692   0.01776
     Eigenvalues ---    0.01800   0.01863   0.01877   0.01907   0.01952
     Eigenvalues ---    0.02117   0.02140   0.02255   0.02337   0.02399
     Eigenvalues ---    0.02563   0.02687   0.02941   0.03077   0.03594
     Eigenvalues ---    0.03813   0.04337   0.04402   0.04752   0.04934
     Eigenvalues ---    0.05470   0.05717   0.05939   0.06087   0.06313
     Eigenvalues ---    0.06504   0.06687   0.07096   0.07286   0.07486
     Eigenvalues ---    0.07563   0.07806   0.07984   0.08206   0.08268
     Eigenvalues ---    0.08285   0.08439   0.08595   0.08745   0.08800
     Eigenvalues ---    0.08889   0.09143   0.09324   0.09646   0.09825
     Eigenvalues ---    0.09895   0.10023   0.10145   0.10296   0.10449
     Eigenvalues ---    0.10510   0.10588   0.10627   0.10781   0.11262
     Eigenvalues ---    0.11361   0.11413   0.11542   0.12254   0.13264
     Eigenvalues ---    0.13517   0.13974   0.14565   0.15228   0.15308
     Eigenvalues ---    0.15619   0.16407   0.22061   0.23212   0.23464
     Eigenvalues ---    0.23945   0.24451   0.24867   0.25784   0.26454
     Eigenvalues ---    0.26992   0.27793   0.28604   0.29290   0.29708
     Eigenvalues ---    0.29869   0.30005   0.32720   0.32730   0.32821
     Eigenvalues ---    0.32826   0.33300   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33416   0.33427   0.33451   0.33488   0.33688
     Eigenvalues ---    0.33793   0.33826   0.33831   0.33918   0.33941
     Eigenvalues ---    0.33995   0.34014   0.34149   0.37296   0.39344
     Eigenvalues ---    0.40570   0.41375   0.85936   0.85991   0.86079
     Eigenvalues ---    0.87238
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    33   32   31   30   29
 RFO step:  Lambda=-4.78901195D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  4.57D-06 SmlDif=  1.00D-05
 RMS Error=  0.9652452270D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    0.80393    2.52709   -2.75897   -0.60892    1.03688
 Iteration  1 RMS(Cart)=  0.00190205 RMS(Int)=  0.00001996
 Iteration  2 RMS(Cart)=  0.00000422 RMS(Int)=  0.00001933
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001933
 ITry= 1 IFail=0 DXMaxC= 1.72D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59905  -0.00003   0.00351  -0.00179   0.00171   6.60077
    R2        6.26092  -0.00001  -0.00020  -0.00031  -0.00048   6.26043
    R3        7.20523   0.00000   0.00251   0.00365   0.00618   7.21141
    R4        6.25313   0.00001   0.00486   0.00674   0.01158   6.26471
    R5        6.52612   0.00001  -0.00119  -0.00015  -0.00132   6.52480
    R6        5.95317   0.00002   0.00375   0.00266   0.00638   5.95955
    R7        6.70776   0.00001  -0.00008  -0.00067  -0.00075   6.70702
    R8        6.22685   0.00000  -0.00012  -0.00010  -0.00022   6.22664
    R9        6.64630   0.00001  -0.00002   0.00040   0.00038   6.64668
   R10        6.07851   0.00000   0.00312   0.00009   0.00321   6.08172
   R11        6.96588  -0.00002   0.00007  -0.00075  -0.00069   6.96518
   R12        6.03546  -0.00001   0.00100  -0.00039   0.00061   6.03607
   R13        6.88772   0.00000  -0.00112  -0.00063  -0.00175   6.88596
   R14        6.19496   0.00001  -0.00026  -0.00022  -0.00047   6.19448
   R15        6.87057  -0.00001  -0.00023   0.00015  -0.00007   6.87049
   R16        5.95747   0.00000   0.00062   0.00074   0.00136   5.95883
   R17        6.68288   0.00003  -0.00191  -0.00034  -0.00224   6.68064
   R18        6.67574  -0.00003   0.00466   0.00013   0.00479   6.68053
   R19        6.21032  -0.00001  -0.00091  -0.00062  -0.00149   6.20883
   R20        6.65636  -0.00002   0.00260  -0.00320  -0.00056   6.65579
   R21        6.02042  -0.00003  -0.00062  -0.00267  -0.00334   6.01708
   R22        6.90813   0.00004  -0.00353   0.00128  -0.00218   6.90595
   R23        5.94993   0.00000  -0.00252   0.00114  -0.00143   5.94850
   R24        2.34956  -0.00001  -0.00003   0.00003   0.00001   2.34956
   R25        2.57188   0.00000   0.00002  -0.00009  -0.00010   2.57178
   R26        2.09466   0.00001   0.00003  -0.00003   0.00000   2.09466
   R27        2.76562  -0.00004  -0.00024   0.00001  -0.00028   2.76535
   R28        2.76868  -0.00002  -0.00007   0.00002  -0.00008   2.76861
   R29        2.07661   0.00000   0.00007  -0.00004   0.00004   2.07665
   R30        2.08260  -0.00001  -0.00025   0.00006  -0.00016   2.08243
   R31        2.08240   0.00001   0.00005   0.00002   0.00007   2.08247
   R32        2.08114   0.00000   0.00011  -0.00003   0.00008   2.08122
   R33        2.07462  -0.00001   0.00006  -0.00001   0.00005   2.07467
   R34        2.08334   0.00001   0.00000   0.00002   0.00003   2.08337
   R35        2.34889   0.00000   0.00003  -0.00001   0.00002   2.34891
   R36        2.57133   0.00002  -0.00001   0.00003  -0.00001   2.57132
   R37        2.09390   0.00000   0.00002   0.00000   0.00003   2.09392
   R38        2.76874   0.00000   0.00003  -0.00003   0.00000   2.76874
   R39        2.76505   0.00001   0.00003  -0.00001  -0.00001   2.76504
   R40        2.08155   0.00000  -0.00001   0.00002   0.00000   2.08155
   R41        2.08397   0.00000   0.00002  -0.00001   0.00001   2.08398
   R42        2.07455   0.00000   0.00000  -0.00001  -0.00001   2.07455
   R43        2.08326   0.00000   0.00000   0.00001   0.00001   2.08327
   R44        2.08386  -0.00001  -0.00005  -0.00002   0.00001   2.08388
   R45        2.07678   0.00000   0.00001  -0.00002   0.00000   2.07677
   R46        2.34839  -0.00001   0.00004   0.00001   0.00006   2.34845
   R47        2.57175   0.00000  -0.00010  -0.00003  -0.00013   2.57162
   R48        2.09359   0.00000   0.00001   0.00000   0.00001   2.09360
   R49        2.76495  -0.00001   0.00003   0.00000   0.00002   2.76497
   R50        2.76881  -0.00001   0.00018  -0.00003   0.00014   2.76895
   R51        2.08440   0.00000   0.00000   0.00001   0.00000   2.08441
   R52        2.08204  -0.00001   0.00001   0.00001  -0.00001   2.08203
   R53        2.07604   0.00000   0.00003   0.00000   0.00003   2.07606
   R54        2.08517   0.00000  -0.00006   0.00001  -0.00005   2.08512
   R55        2.07367   0.00001   0.00000   0.00004   0.00004   2.07371
   R56        2.07817   0.00000  -0.00005  -0.00001  -0.00006   2.07811
   R57        2.34809   0.00002   0.00002   0.00000   0.00002   2.34811
   R58        2.57259   0.00001   0.00013  -0.00009   0.00003   2.57262
   R59        2.09568  -0.00001   0.00003  -0.00005  -0.00003   2.09565
   R60        2.76838   0.00003  -0.00001  -0.00005  -0.00010   2.76828
   R61        2.76481   0.00003  -0.00008   0.00013   0.00003   2.76483
   R62        2.07402   0.00000  -0.00013   0.00002  -0.00010   2.07392
   R63        2.08412   0.00000   0.00004   0.00001   0.00005   2.08418
   R64        2.08049   0.00005  -0.00009   0.00023   0.00007   2.08056
   R65        2.07659   0.00001   0.00001   0.00001   0.00002   2.07662
   R66        2.08366   0.00005   0.00005  -0.00004  -0.00002   2.08364
   R67        2.08322   0.00000   0.00009  -0.00007   0.00002   2.08323
    A1        0.68323   0.00000  -0.00035  -0.00016  -0.00051   0.68272
    A2        0.95911   0.00000  -0.00033  -0.00013  -0.00047   0.95864
    A3        0.72711   0.00000  -0.00024   0.00011  -0.00014   0.72697
    A4        1.01985   0.00000  -0.00030   0.00005  -0.00025   1.01959
    A5        2.33039   0.00001   0.00111   0.00052   0.00163   2.33202
    A6        2.00899   0.00001   0.00096   0.00045   0.00141   2.01040
    A7        1.96305   0.00001   0.00052   0.00029   0.00082   1.96386
    A8        1.66794   0.00001   0.00019   0.00029   0.00048   1.66842
    A9        1.64083   0.00000   0.00107   0.00043   0.00151   1.64233
   A10        1.35871   0.00000   0.00107   0.00041   0.00147   1.36018
   A11        1.73878  -0.00001   0.00001   0.00001   0.00004   1.73882
   A12        2.04115  -0.00001   0.00034   0.00015   0.00051   2.04166
   A13        1.94259  -0.00001   0.00081   0.00030   0.00112   1.94371
   A14        2.02660   0.00000   0.00131   0.00048   0.00180   2.02840
   A15        2.43744  -0.00001   0.00020   0.00007   0.00029   2.43773
   A16        1.54991  -0.00001  -0.00248  -0.00055  -0.00304   1.54687
   A17        1.76705  -0.00001  -0.00272  -0.00082  -0.00354   1.76351
   A18        1.56970  -0.00001  -0.00240  -0.00107  -0.00346   1.56624
   A19        1.70411   0.00001  -0.00273  -0.00078  -0.00347   1.70064
   A20        2.17837  -0.00001  -0.00250  -0.00090  -0.00339   2.17498
   A21        2.40168  -0.00001  -0.00272  -0.00086  -0.00357   2.39810
   A22        0.64874  -0.00001  -0.00041  -0.00027  -0.00068   0.64806
   A23        0.66078   0.00000  -0.00018  -0.00012  -0.00030   0.66048
   A24        2.38481   0.00001   0.00091   0.00039   0.00130   2.38610
   A25        2.20596   0.00001   0.00074   0.00043   0.00118   2.20714
   A26        2.30349   0.00001   0.00034   0.00035   0.00069   2.30418
   A27        2.03712   0.00001  -0.00011   0.00035   0.00024   2.03736
   A28        1.79929   0.00001   0.00076   0.00038   0.00114   1.80043
   A29        1.55642   0.00001   0.00083   0.00042   0.00124   1.55766
   A30        1.34498  -0.00001   0.00034  -0.00001   0.00034   1.34532
   A31        1.64293  -0.00001   0.00047   0.00004   0.00051   1.64345
   A32        1.59124  -0.00001   0.00058   0.00003   0.00061   1.59185
   A33        1.74103   0.00000   0.00084   0.00013   0.00097   1.74201
   A34        2.04042  -0.00001   0.00053   0.00004   0.00057   2.04099
   A35        1.79598  -0.00001  -0.00209  -0.00003  -0.00212   1.79386
   A36        1.88312  -0.00001  -0.00198  -0.00026  -0.00225   1.88087
   A37        1.55375  -0.00001  -0.00156  -0.00052  -0.00209   1.55167
   A38        1.56982   0.00000  -0.00180  -0.00034  -0.00213   1.56769
   A39        2.25791  -0.00001  -0.00168  -0.00038  -0.00206   2.25586
   A40        2.35518  -0.00001  -0.00179  -0.00021  -0.00200   2.35317
   A41        0.69296  -0.00001  -0.00005  -0.00030  -0.00035   0.69261
   A42        0.75152  -0.00001  -0.00041  -0.00049  -0.00090   0.75062
   A43        2.65761   0.00000   0.00038  -0.00007   0.00032   2.65793
   A44        2.58925   0.00001   0.00043   0.00008   0.00052   2.58977
   A45        2.64488   0.00000   0.00018   0.00016   0.00034   2.64522
   A46        2.33912   0.00000  -0.00003   0.00020   0.00018   2.33930
   A47        2.18208   0.00000   0.00043   0.00003   0.00047   2.18255
   A48        1.94585   0.00000   0.00057   0.00011   0.00067   1.94652
   A49        1.10387  -0.00001  -0.00020  -0.00021  -0.00042   1.10345
   A50        1.46353  -0.00001  -0.00019  -0.00023  -0.00043   1.46310
   A51        1.56488  -0.00001  -0.00028  -0.00041  -0.00070   1.56418
   A52        1.79960  -0.00001  -0.00011  -0.00038  -0.00050   1.79910
   A53        1.78916  -0.00001  -0.00003  -0.00010  -0.00014   1.78902
   A54        1.63920   0.00000  -0.00110   0.00068  -0.00041   1.63879
   A55        1.60012   0.00000  -0.00103   0.00041  -0.00063   1.59949
   A56        1.21623   0.00000  -0.00079   0.00009  -0.00073   1.21551
   A57        1.18817   0.00001  -0.00130   0.00008  -0.00123   1.18694
   A58        1.92117   0.00000  -0.00087   0.00019  -0.00068   1.92049
   A59        1.97290   0.00000  -0.00130   0.00022  -0.00110   1.97181
   A60        0.85014  -0.00002  -0.00043  -0.00034  -0.00076   0.84938
   A61        0.79002  -0.00002  -0.00098  -0.00064  -0.00161   0.78841
   A62        2.61114  -0.00001  -0.00055  -0.00028  -0.00082   2.61032
   A63        2.76548   0.00000  -0.00033  -0.00009  -0.00041   2.76507
   A64        2.59574   0.00001   0.00036   0.00028   0.00062   2.59636
   A65        2.38669   0.00000  -0.00018  -0.00006  -0.00024   2.38645
   A66        2.18774   0.00000   0.00018   0.00009   0.00025   2.18799
   A67        0.86817  -0.00001  -0.00088  -0.00044  -0.00130   0.86687
   A68        1.24434  -0.00001  -0.00091  -0.00045  -0.00134   1.24299
   A69        1.42713  -0.00002  -0.00126  -0.00068  -0.00193   1.42520
   A70        1.69821  -0.00002  -0.00119  -0.00066  -0.00184   1.69636
   A71        1.52983  -0.00001  -0.00043  -0.00022  -0.00064   1.52919
   A72        1.64278   0.00002   0.00019   0.00108   0.00128   1.64406
   A73        1.49978   0.00001   0.00024   0.00079   0.00103   1.50082
   A74        1.08015   0.00001   0.00040   0.00052   0.00090   1.08105
   A75        0.97899   0.00001  -0.00034   0.00036   0.00003   0.97902
   A76        1.74974   0.00001   0.00015   0.00046   0.00063   1.75037
   A77        1.74485   0.00000  -0.00060   0.00041  -0.00018   1.74467
   A78        1.98890   0.00002   0.00063   0.00029   0.00092   1.98982
   A79        1.92581   0.00002   0.00031   0.00033   0.00064   1.92645
   A80        2.20115   0.00002  -0.00002   0.00028   0.00025   2.20139
   A81        2.05465   0.00002  -0.00073   0.00030  -0.00044   2.05421
   A82        1.53675   0.00002   0.00021   0.00028   0.00049   1.53723
   A83        1.36700   0.00002   0.00028   0.00037   0.00063   1.36762
   A84        1.19832  -0.00001   0.00141   0.00036   0.00177   1.20009
   A85        1.38344  -0.00001   0.00138   0.00034   0.00172   1.38516
   A86        1.21604  -0.00001   0.00114   0.00022   0.00136   1.21741
   A87        1.32125   0.00000   0.00112   0.00022   0.00133   1.32259
   A88        1.81025  -0.00001   0.00153   0.00035   0.00189   1.81214
   A89        2.22930  -0.00001  -0.00217  -0.00007  -0.00221   2.22710
   A90        2.28834  -0.00001  -0.00137   0.00000  -0.00136   2.28697
   A91        1.90675  -0.00001  -0.00072  -0.00013  -0.00083   1.90591
   A92        1.82660  -0.00001  -0.00054   0.00011  -0.00041   1.82619
   A93        2.59958  -0.00001  -0.00036   0.00009  -0.00028   2.59930
   A94        2.54421  -0.00001   0.00015   0.00050   0.00064   2.54485
   A95        1.90754   0.00001   0.00075   0.00042   0.00117   1.90871
   A96        1.97942   0.00002   0.00054   0.00052   0.00105   1.98048
   A97        2.35282   0.00002   0.00036   0.00049   0.00084   2.35366
   A98        2.30123   0.00002  -0.00044   0.00050   0.00005   2.30128
   A99        1.64802   0.00002   0.00037   0.00048   0.00085   1.64887
   A100       1.55099   0.00002   0.00048   0.00059   0.00106   1.55205
   A101       0.89139  -0.00001   0.00129   0.00029   0.00159   0.89298
   A102       1.06175  -0.00001   0.00119   0.00028   0.00148   1.06324
   A103       0.93203  -0.00001   0.00085   0.00017   0.00102   0.93306
   A104       1.09249   0.00000   0.00077   0.00018   0.00096   1.09345
   A105       1.48842  -0.00001   0.00134   0.00030   0.00165   1.49007
   A106       2.39057  -0.00001  -0.00155   0.00018  -0.00137   2.38920
   A107       2.28631  -0.00001  -0.00047   0.00024  -0.00023   2.28608
   A108       1.86008  -0.00001  -0.00021   0.00006  -0.00015   1.85992
   A109       1.68898  -0.00001  -0.00006   0.00017   0.00012   1.68910
   A110       2.44212   0.00000   0.00061   0.00031   0.00092   2.44304
   A111       2.28258  -0.00001   0.00059   0.00057   0.00115   2.28374
   A112       0.71352   0.00000   0.00002   0.00003   0.00004   0.71356
   A113       1.00476   0.00000  -0.00009   0.00004  -0.00005   1.00470
   A114       0.69482   0.00001   0.00000   0.00008   0.00007   0.69489
   A115       0.98226   0.00001   0.00001   0.00012   0.00014   0.98239
   A116       1.80169   0.00000   0.00073   0.00034   0.00107   1.80276
   A117       1.42165   0.00000   0.00066   0.00029   0.00095   1.42260
   A118       1.18653   0.00001   0.00076   0.00042   0.00118   1.18770
   A119       0.91302   0.00001   0.00063   0.00038   0.00101   0.91402
   A120       1.24962   0.00000   0.00042   0.00015   0.00057   1.25019
   A121       1.98329  -0.00001   0.00066  -0.00066   0.00000   1.98329
   A122       2.00484   0.00000   0.00085  -0.00023   0.00062   2.00546
   A123       2.33905   0.00000   0.00080   0.00023   0.00105   2.34010
   A124       2.24866  -0.00002   0.00157   0.00026   0.00181   2.25047
   A125       1.64030  -0.00001   0.00081   0.00001   0.00080   1.64109
   A126       1.50578   0.00000   0.00130   0.00005   0.00135   1.50713
   A127       0.65557   0.00000  -0.00020   0.00000  -0.00019   0.65538
   A128       0.66079   0.00000  -0.00010   0.00003  -0.00006   0.66073
   A129       2.16131   0.00000   0.00092   0.00050   0.00143   2.16273
   A130       1.79078   0.00000   0.00079   0.00042   0.00120   1.79198
   A131       1.49420   0.00001   0.00096   0.00058   0.00154   1.49574
   A132       1.20196   0.00001   0.00090   0.00055   0.00145   1.20342
   A133       1.64258   0.00000   0.00040   0.00019   0.00058   1.64317
   A134       1.83690  -0.00002   0.00001  -0.00103  -0.00103   1.83587
   A135       2.01659  -0.00001   0.00006  -0.00072  -0.00066   2.01593
   A136       2.43753  -0.00001  -0.00008  -0.00043  -0.00048   2.43705
   A137       2.50569  -0.00002   0.00088  -0.00016   0.00074   2.50643
   A138       1.75678  -0.00001   0.00021  -0.00036  -0.00016   1.75661
   A139       1.72033   0.00000   0.00092  -0.00028   0.00064   1.72097
   A140       0.70489   0.00000  -0.00001   0.00001   0.00000   0.70489
   A141       0.83431   0.00000  -0.00029  -0.00009  -0.00037   0.83394
   A142       2.49742   0.00000   0.00050   0.00023   0.00073   2.49815
   A143       2.11756   0.00000   0.00049   0.00023   0.00072   2.11828
   A144       1.89388   0.00001   0.00085   0.00049   0.00134   1.89522
   A145       1.60878   0.00001   0.00079   0.00048   0.00128   1.61006
   A146       1.84164   0.00000   0.00002  -0.00002   0.00000   1.84164
   A147       1.41083  -0.00002  -0.00008  -0.00104  -0.00112   1.40971
   A148       1.63217  -0.00001  -0.00032  -0.00086  -0.00118   1.63099
   A149       2.06002  -0.00001  -0.00048  -0.00069  -0.00116   2.05886
   A150       2.23632  -0.00001  -0.00003  -0.00058  -0.00061   2.23571
   A151       1.46231  -0.00001  -0.00030  -0.00060  -0.00091   1.46141
   A152       1.52681  -0.00001   0.00037  -0.00061  -0.00024   1.52656
   A153       0.76375   0.00000  -0.00041   0.00006  -0.00035   0.76340
   A154       0.76615   0.00000  -0.00081  -0.00008  -0.00088   0.76527
   A155       2.80608   0.00000   0.00060   0.00035   0.00095   2.80704
   A156       2.42480   0.00000   0.00053   0.00029   0.00082   2.42562
   A157       2.14783   0.00001   0.00076   0.00061   0.00137   2.14920
   A158       1.85449   0.00001   0.00070   0.00059   0.00129   1.85578
   A159       2.15428   0.00000   0.00009  -0.00008   0.00001   2.15429
   A160       1.27428  -0.00002  -0.00018  -0.00125  -0.00143   1.27285
   A161       1.58349  -0.00002  -0.00044  -0.00114  -0.00159   1.58190
   A162       1.98373  -0.00001  -0.00057  -0.00104  -0.00160   1.98213
   A163       2.24261  -0.00001  -0.00037  -0.00092  -0.00129   2.24132
   A164       1.53776  -0.00002  -0.00033  -0.00088  -0.00121   1.53654
   A165       1.68126  -0.00001   0.00035  -0.00089  -0.00054   1.68072
   A166       2.14396   0.00000   0.00130   0.00073   0.00203   2.14598
   A167       1.84933   0.00000   0.00109   0.00061   0.00169   1.85103
   A168       1.46229   0.00001   0.00116   0.00069   0.00185   1.46414
   A169       1.18429   0.00001   0.00114   0.00066   0.00180   1.18609
   A170       1.86368   0.00000   0.00071   0.00038   0.00108   1.86477
   A171       2.03703  -0.00002  -0.00064  -0.00121  -0.00185   2.03518
   A172       2.32840  -0.00001  -0.00055  -0.00095  -0.00151   2.32689
   A173       2.74606  -0.00001  -0.00090  -0.00093  -0.00180   2.74427
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   A176       2.24680   0.00000   0.00174   0.00096   0.00269   2.24949
   A177       2.03228   0.00000   0.00148   0.00084   0.00232   2.03460
   A178       1.62158   0.00000   0.00151   0.00088   0.00239   1.62397
   A179       1.37297   0.00001   0.00146   0.00083   0.00230   1.37527
   A180       2.12677   0.00000   0.00099   0.00055   0.00155   2.12832
   A181       1.96126  -0.00002  -0.00146  -0.00143  -0.00287   1.95838
   A182       2.32644  -0.00002  -0.00158  -0.00134  -0.00291   2.32353
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   A188       0.69945   0.00000   0.00014   0.00004   0.00018   0.69964
   A189       2.07337   0.00002  -0.00037   0.00047   0.00011   2.07348
   A190       1.70597   0.00002  -0.00003   0.00040   0.00037   1.70635
   A191       1.36541   0.00000  -0.00005   0.00038   0.00031   1.36573
   A192       1.06439   0.00000   0.00002   0.00021   0.00022   1.06461
   A193       1.61949   0.00002   0.00001   0.00023   0.00023   1.61973
   A194       1.40127   0.00001  -0.00047   0.00034  -0.00014   1.40113
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   A196       2.23794   0.00002   0.00029   0.00046   0.00077   2.23872
   A197       1.84243   0.00002   0.00056   0.00049   0.00105   1.84347
   A198       1.60491   0.00000   0.00036   0.00055   0.00090   1.60580
   A199       1.29077  -0.00001   0.00062   0.00033   0.00093   1.29171
   A200       1.61403   0.00002   0.00052   0.00035   0.00087   1.61490
   A201       1.34057   0.00001   0.00015   0.00045   0.00059   1.34116
   A202       0.71060   0.00000   0.00016   0.00003   0.00019   0.71079
   A203       2.63368   0.00002   0.00057   0.00042   0.00103   2.63471
   A204       2.24288   0.00002   0.00074   0.00049   0.00124   2.24412
   A205       2.01515   0.00000   0.00032   0.00051   0.00081   2.01595
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   A207       1.95585   0.00002   0.00081   0.00042   0.00122   1.95707
   A208       1.66739   0.00001   0.00056   0.00050   0.00105   1.66844
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   A210       2.70161   0.00002   0.00101   0.00012   0.00116   2.70277
   A211       2.38144   0.00001   0.00094   0.00042   0.00135   2.38280
   A212       2.26030   0.00000   0.00043   0.00056   0.00096   2.26127
   A213       1.94928  -0.00001   0.00071   0.00032   0.00100   1.95027
   A214       2.01384   0.00001   0.00085   0.00037   0.00121   2.01504
   A215       1.73061   0.00001   0.00073   0.00043   0.00114   1.73175
   A216       1.93092   0.00002   0.00064   0.00036   0.00101   1.93192
   A217       1.55710   0.00002   0.00085   0.00048   0.00133   1.55843
   A218       1.46293   0.00001   0.00070   0.00065   0.00134   1.46427
   A219       1.17855  -0.00001   0.00114   0.00040   0.00152   1.18007
   A220       1.24556   0.00002   0.00062   0.00038   0.00100   1.24656
   A221       0.95811   0.00002   0.00033   0.00047   0.00079   0.95890
   A222       0.71527   0.00001  -0.00034   0.00016  -0.00019   0.71508
   A223       1.00902   0.00002  -0.00038   0.00027  -0.00010   1.00891
   A224       0.69928   0.00000   0.00008  -0.00013  -0.00006   0.69922
   A225       0.98795   0.00001   0.00022  -0.00018   0.00005   0.98800
   A226       0.66086   0.00001   0.00003   0.00021   0.00025   0.66111
   A227       0.66646   0.00000   0.00020  -0.00005   0.00016   0.66662
   A228       0.70822   0.00000  -0.00004   0.00013   0.00008   0.70830
   A229       0.84092   0.00000  -0.00036   0.00025  -0.00011   0.84081
   A230       0.77774   0.00000   0.00038   0.00004   0.00040   0.77815
   A231       0.78572  -0.00001   0.00004   0.00014   0.00016   0.78588
   A232       1.59392   0.00000   0.00119  -0.00061   0.00058   1.59450
   A233       1.86191  -0.00003  -0.00008   0.00005  -0.00003   1.86188
   A234       2.19031   0.00002   0.00001   0.00005   0.00005   2.19037
   A235       2.12926   0.00000  -0.00017   0.00006  -0.00013   2.12913
   A236       1.96329  -0.00002   0.00015  -0.00011   0.00007   1.96336
   A237       2.12195   0.00002  -0.00008   0.00024   0.00013   2.12208
   A238       2.12610   0.00000  -0.00041   0.00001  -0.00039   2.12570
   A239       2.03363  -0.00002   0.00064  -0.00019   0.00046   2.03409
   A240       1.85184  -0.00003  -0.00203   0.00042  -0.00162   1.85022
   A241       2.52062   0.00003   0.00233  -0.00025   0.00210   2.52271
   A242       1.91331  -0.00002  -0.00020   0.00020  -0.00004   1.91328
   A243       1.91814  -0.00001  -0.00040   0.00027  -0.00012   1.91803
   A244       1.91640   0.00002   0.00065  -0.00043   0.00029   1.91670
   A245       1.90896   0.00001  -0.00028   0.00017  -0.00010   1.90887
   A246       1.90868   0.00000  -0.00024  -0.00003  -0.00027   1.90841
   A247       1.89821   0.00000   0.00047  -0.00019   0.00023   1.89844
   A248       1.29437   0.00000  -0.00336  -0.00136  -0.00472   1.28965
   A249       1.90578   0.00001  -0.00014  -0.00009  -0.00021   1.90557
   A250       1.90907  -0.00001  -0.00029   0.00024  -0.00007   1.90900
   A251       1.92747   0.00000   0.00023   0.00013   0.00035   1.92782
   A252       1.91053   0.00000  -0.00016  -0.00013  -0.00028   1.91025
   A253       1.89737   0.00000   0.00035   0.00000   0.00034   1.89771
   A254       1.91350   0.00000   0.00001  -0.00015  -0.00014   1.91336
   A255       1.71975   0.00001  -0.00010   0.00024   0.00014   1.71989
   A256       1.77263  -0.00001   0.00028  -0.00057  -0.00029   1.77234
   A257       2.19058   0.00000  -0.00003   0.00005   0.00002   2.19060
   A258       2.12993   0.00000  -0.00007   0.00000  -0.00007   2.12986
   A259       1.96248   0.00000   0.00010  -0.00005   0.00005   1.96253
   A260       2.12360   0.00000   0.00003   0.00005   0.00009   2.12369
   A261       2.12424   0.00000   0.00002   0.00000   0.00000   2.12424
   A262       2.03518   0.00000  -0.00005  -0.00006  -0.00009   2.03508
   A263       1.33777   0.00003  -0.00170   0.00031  -0.00139   1.33638
   A264       1.89905   0.00000  -0.00024   0.00002  -0.00020   1.89884
   A265       1.93221   0.00000   0.00007  -0.00001   0.00006   1.93226
   A266       1.90997   0.00001   0.00017  -0.00005   0.00012   1.91009
   A267       1.89841   0.00000   0.00004   0.00001   0.00005   1.89846
   A268       1.91258   0.00000  -0.00003   0.00001  -0.00002   1.91256
   A269       1.91148  -0.00002  -0.00001   0.00001   0.00000   1.91148
   A270       2.66127   0.00000   0.00104   0.00047   0.00151   2.66278
   A271       1.70257   0.00000  -0.00104  -0.00053  -0.00157   1.70100
   A272       1.92434   0.00000   0.00012   0.00005   0.00015   1.92449
   A273       1.91328   0.00001  -0.00026   0.00004  -0.00019   1.91310
   A274       1.91372   0.00000   0.00003  -0.00004   0.00000   1.91372
   A275       1.89459  -0.00001   0.00005  -0.00012  -0.00007   1.89452
   A276       1.91091   0.00000   0.00003   0.00003   0.00006   1.91097
   A277       1.90680   0.00000   0.00003   0.00004   0.00005   1.90685
   A278       1.80887   0.00002  -0.00026  -0.00011  -0.00037   1.80849
   A279       1.75357  -0.00002   0.00013  -0.00004   0.00009   1.75366
   A280       2.18944   0.00001  -0.00018   0.00001  -0.00017   2.18927
   A281       2.13060   0.00000   0.00011  -0.00001   0.00010   2.13069
   A282       1.96307  -0.00001   0.00007   0.00001   0.00007   1.96315
   A283       2.12273  -0.00001   0.00010  -0.00008   0.00002   2.12276
   A284       2.11538   0.00001  -0.00013  -0.00002  -0.00015   2.11523
   A285       2.04193   0.00001   0.00011   0.00011   0.00022   2.04215
   A286       2.69579   0.00002   0.00064   0.00046   0.00110   2.69689
   A287       1.66369  -0.00002  -0.00066  -0.00049  -0.00114   1.66255
   A288       1.92580   0.00000  -0.00004   0.00014   0.00011   1.92591
   A289       1.91556   0.00000  -0.00011  -0.00006  -0.00017   1.91539
   A290       1.91232   0.00000  -0.00005  -0.00001  -0.00005   1.91226
   A291       1.89116   0.00001  -0.00006  -0.00001  -0.00006   1.89111
   A292       1.91247   0.00000   0.00007   0.00004   0.00011   1.91258
   A293       1.90631   0.00000   0.00018  -0.00011   0.00007   1.90638
   A294       1.34905   0.00002  -0.00379  -0.00024  -0.00403   1.34502
   A295       1.15375  -0.00001   0.00236   0.00018   0.00254   1.15629
   A296       1.93295   0.00001   0.00022   0.00004   0.00026   1.93321
   A297       1.90654   0.00000  -0.00020   0.00000  -0.00019   1.90635
   A298       1.90127   0.00000  -0.00026  -0.00003  -0.00028   1.90099
   A299       1.90955  -0.00001  -0.00001  -0.00004  -0.00005   1.90950
   A300       1.89876   0.00000   0.00045   0.00001   0.00046   1.89922
   A301       1.91470   0.00001  -0.00021   0.00001  -0.00020   1.91450
   A302       1.72191  -0.00004   0.00277  -0.00076   0.00199   1.72390
   A303       1.76257   0.00000  -0.00091   0.00118   0.00026   1.76284
   A304       2.19332  -0.00002   0.00009  -0.00005   0.00007   2.19339
   A305       2.12964   0.00001  -0.00040   0.00035  -0.00006   2.12958
   A306       1.95995   0.00001   0.00031  -0.00030   0.00000   1.95995
   A307       2.12526   0.00003   0.00024   0.00005   0.00028   2.12554
   A308       2.12103  -0.00001   0.00037  -0.00025   0.00012   2.12115
   A309       2.03629  -0.00001  -0.00050   0.00020  -0.00030   2.03599
   A310       1.38940  -0.00004   0.00344  -0.00106   0.00236   1.39176
   A311       2.96735  -0.00002  -0.00321   0.00041  -0.00277   2.96458
   A312       1.90793  -0.00003   0.00040  -0.00006   0.00033   1.90826
   A313       1.92837   0.00000   0.00064  -0.00062   0.00020   1.92857
   A314       1.90580  -0.00001  -0.00017   0.00008  -0.00002   1.90578
   A315       1.91233   0.00005  -0.00037   0.00061   0.00016   1.91249
   A316       1.91263   0.00001   0.00019   0.00003   0.00017   1.91279
   A317       1.89669  -0.00002  -0.00069  -0.00003  -0.00084   1.89585
   A318       1.70801  -0.00002  -0.00155   0.00049  -0.00105   1.70695
   A319       1.91366  -0.00001   0.00016  -0.00015   0.00000   1.91366
   A320       1.91572  -0.00004   0.00010  -0.00021  -0.00004   1.91568
   A321       1.92444   0.00002   0.00012   0.00001   0.00011   1.92455
   A322       1.90451   0.00001  -0.00002  -0.00010  -0.00013   1.90438
   A323       1.91122   0.00001  -0.00021   0.00030   0.00009   1.91131
   A324       1.89405   0.00001  -0.00016   0.00015  -0.00003   1.89402
   A325       2.92215   0.00000   0.00019   0.00016   0.00035   2.92250
   A326       3.34493   0.00001  -0.00166  -0.00035  -0.00196   3.34297
   A327       3.06282   0.00001  -0.00165  -0.00037  -0.00200   3.06082
   A328       3.20787   0.00000  -0.00335  -0.00152  -0.00486   3.20301
   A329       3.24925   0.00001  -0.00172   0.00032  -0.00140   3.24786
   A330       3.25860   0.00001  -0.00381  -0.00028  -0.00409   3.25452
   A331       3.61923   0.00000  -0.00176   0.00079  -0.00096   3.61827
   A332       3.22094  -0.00001  -0.00084  -0.00034  -0.00117   3.21978
   A333       3.03665   0.00000  -0.00132  -0.00098  -0.00229   3.03436
   A334       2.97559   0.00000  -0.00152  -0.00112  -0.00263   2.97297
   A335       3.23449  -0.00001  -0.00117  -0.00070  -0.00186   3.23263
   A336       3.08137   0.00000   0.00085   0.00004   0.00088   3.08225
   A337       3.10352   0.00000   0.00115   0.00007   0.00122   3.10474
   A338       3.03451   0.00000  -0.00044   0.00041  -0.00004   3.03446
    D1        2.76100   0.00000  -0.00033  -0.00022  -0.00055   2.76045
    D2       -1.35672   0.00000  -0.00011  -0.00037  -0.00048  -1.35720
    D3        2.79266  -0.00001  -0.00095  -0.00015  -0.00109   2.79157
    D4       -1.32506  -0.00001  -0.00073  -0.00030  -0.00102  -1.32608
    D5        1.65996   0.00002  -0.00065   0.00028  -0.00039   1.65957
    D6       -2.45776   0.00002  -0.00043   0.00013  -0.00032  -2.45808
    D7        1.83820   0.00001   0.00007   0.00063   0.00069   1.83889
    D8       -2.27952   0.00001   0.00029   0.00048   0.00076  -2.27876
    D9        0.31609   0.00000  -0.00006   0.00029   0.00023   0.31632
   D10        2.48156   0.00000   0.00016   0.00014   0.00030   2.48186
   D11        0.03829   0.00000   0.00000   0.00022   0.00022   0.03851
   D12        2.20375  -0.00001   0.00022   0.00007   0.00029   2.20404
   D13       -0.42829   0.00000  -0.00012   0.00019   0.00008  -0.42821
   D14        1.73718  -0.00001   0.00010   0.00003   0.00015   1.73733
   D15       -0.54639  -0.00001   0.00062   0.00025   0.00087  -0.54552
   D16        1.61907  -0.00001   0.00084   0.00009   0.00094   1.62001
   D17        0.21971   0.00000   0.00029   0.00033   0.00062   0.22033
   D18        2.38518  -0.00001   0.00051   0.00018   0.00069   2.38587
   D19        0.15866   0.00000   0.00008   0.00019   0.00029   0.15895
   D20        2.32413  -0.00001   0.00030   0.00004   0.00035   2.32448
   D21        2.38886   0.00000   0.00191   0.00120   0.00311   2.39197
   D22       -1.72886   0.00000   0.00213   0.00104   0.00318  -1.72568
   D23        2.14260   0.00000   0.00225   0.00132   0.00357   2.14617
   D24       -1.97512   0.00000   0.00247   0.00117   0.00364  -1.97148
   D25        1.70122   0.00001   0.00199   0.00125   0.00323   1.70446
   D26       -2.41650   0.00000   0.00221   0.00110   0.00330  -2.41319
   D27        1.39372   0.00001   0.00194   0.00123   0.00317   1.39688
   D28       -2.72400   0.00001   0.00216   0.00107   0.00324  -2.72077
   D29        2.34869   0.00000   0.00325   0.00167   0.00492   2.35361
   D30       -1.76903  -0.00001   0.00347   0.00152   0.00499  -1.76404
   D31       -1.81703   0.00002   0.00108   0.00158   0.00267  -1.81435
   D32        0.34844   0.00001   0.00130   0.00143   0.00274   0.35118
   D33       -2.14957   0.00001   0.00132   0.00144   0.00277  -2.14680
   D34        0.01589   0.00001   0.00154   0.00129   0.00284   0.01873
   D35       -2.53208   0.00000   0.00144   0.00140   0.00282  -2.52926
   D36       -0.36661   0.00000   0.00166   0.00124   0.00289  -0.36372
   D37       -2.81693   0.00000   0.00161   0.00132   0.00291  -2.81402
   D38       -0.65147   0.00000   0.00183   0.00116   0.00298  -0.64849
   D39       -2.14453   0.00001   0.00119   0.00122   0.00242  -2.14211
   D40        0.02094   0.00001   0.00141   0.00107   0.00249   0.02342
   D41       -2.39164   0.00001   0.00096   0.00163   0.00261  -2.38904
   D42       -0.22618   0.00000   0.00118   0.00148   0.00267  -0.22350
   D43        1.25428   0.00000   0.00071  -0.00037   0.00035   1.25463
   D44       -1.97037   0.00000   0.00200   0.00247   0.00448  -1.96589
   D45        2.44282   0.00000   0.00061   0.00021   0.00081   2.44363
   D46       -0.78184   0.00001   0.00191   0.00304   0.00494  -0.77690
   D47        2.92537   0.00001   0.00111   0.00057   0.00166   2.92703
   D48       -0.29929   0.00001   0.00240   0.00340   0.00580  -0.29350
   D49        2.83243   0.00001   0.00230   0.00069   0.00302   2.83545
   D50       -0.39223   0.00002   0.00360   0.00353   0.00715  -0.38508
   D51        2.03243   0.00000   0.00170   0.00053   0.00223   2.03467
   D52       -1.19222   0.00000   0.00299   0.00337   0.00637  -1.18586
   D53        1.16170  -0.00001   0.00114   0.00041   0.00154   1.16324
   D54       -2.06295  -0.00001   0.00243   0.00324   0.00567  -2.05728
   D55        1.02381  -0.00001   0.00207   0.00025   0.00231   1.02612
   D56       -2.20085  -0.00001   0.00337   0.00308   0.00644  -2.19440
   D57        2.01318   0.00000   0.00178   0.00039   0.00219   2.01536
   D58       -1.21148   0.00000   0.00308   0.00323   0.00632  -1.20516
   D59        1.82412   0.00000   0.00145   0.00016   0.00161   1.82573
   D60       -1.40054   0.00000   0.00275   0.00299   0.00575  -1.39480
   D61       -2.30043  -0.00001   0.00319   0.00118   0.00437  -2.29606
   D62        0.75810   0.00000   0.00449   0.00401   0.00850   0.76660
   D63       -2.43388   0.00000   0.00301   0.00098   0.00400  -2.42989
   D64        0.62464   0.00000   0.00431   0.00382   0.00813   0.63277
   D65       -2.83602   0.00000   0.00296   0.00094   0.00391  -2.83211
   D66        0.22250   0.00000   0.00426   0.00378   0.00804   0.23055
   D67       -3.01380   0.00000   0.00310   0.00095   0.00406  -3.00974
   D68        0.04473   0.00000   0.00440   0.00378   0.00819   0.05292
   D69       -2.15628  -0.00001   0.00304   0.00085   0.00390  -2.15238
   D70        0.90225   0.00000   0.00434   0.00369   0.00803   0.91028
   D71       -0.19892   0.00002   0.00341   0.00139   0.00481  -0.19411
   D72        2.85961   0.00002   0.00471   0.00423   0.00894   2.86855
   D73       -0.59301   0.00001   0.00367   0.00143   0.00511  -0.58789
   D74        2.46552   0.00002   0.00497   0.00426   0.00925   2.47477
   D75       -0.78657   0.00000   0.00357   0.00165   0.00522  -0.78135
   D76        2.27195   0.00001   0.00487   0.00449   0.00936   2.28131
   D77       -1.12229  -0.00001   0.00375   0.00143   0.00518  -1.11711
   D78        1.93624   0.00000   0.00505   0.00427   0.00931   1.94555
   D79       -0.85616   0.00001   0.00358   0.00126   0.00484  -0.85132
   D80        2.20237   0.00002   0.00488   0.00409   0.00897   2.21134
   D81       -1.16275   0.00001   0.00339   0.00132   0.00472  -1.15804
   D82        1.89577   0.00001   0.00469   0.00415   0.00885   1.90462
   D83       -1.52737   0.00001  -0.00104  -0.00100  -0.00204  -1.52942
   D84       -2.60574   0.00000  -0.00066  -0.00084  -0.00150  -2.60725
   D85       -2.93474  -0.00001  -0.00109  -0.00104  -0.00212  -2.93687
   D86        0.73047   0.00000   0.00007  -0.00056  -0.00048   0.72999
   D87        0.31070   0.00000   0.00004  -0.00067  -0.00061   0.31009
   D88       -0.06497  -0.00001  -0.00032  -0.00074  -0.00105  -0.06602
   D89       -0.39643  -0.00001   0.00011  -0.00078  -0.00065  -0.39709
   D90        0.18754  -0.00001   0.00038  -0.00068  -0.00028   0.18725
   D91       -0.04779  -0.00001   0.00030  -0.00081  -0.00050  -0.04829
   D92        2.39667  -0.00001   0.00126  -0.00012   0.00116   2.39782
   D93        2.04887  -0.00001   0.00132  -0.00014   0.00119   2.05006
   D94        1.65522  -0.00001   0.00154  -0.00004   0.00151   1.65674
   D95        1.36794   0.00000   0.00157  -0.00005   0.00154   1.36948
   D96        2.05157   0.00000   0.00122  -0.00021   0.00102   2.05259
   D97       -1.95648   0.00001   0.00209   0.00073   0.00278  -1.95371
   D98       -2.46522   0.00001   0.00332   0.00079   0.00406  -2.46116
   D99       -2.69295   0.00000   0.00236   0.00059   0.00293  -2.69003
   D100      -3.01080  -0.00001   0.00264   0.00030   0.00291  -3.00789
   D101      -2.89513   0.00002   0.00504   0.00111   0.00612  -2.88902
   D102       2.85598   0.00002   0.00451   0.00086   0.00537   2.86135
   D103      -2.88531   0.00000   0.00056   0.00012   0.00068  -2.88463
   D104       1.21055   0.00000   0.00057   0.00022   0.00080   1.21135
   D105       2.83359  -0.00001   0.00020  -0.00029  -0.00009   2.83350
   D106       0.64626   0.00000   0.00021  -0.00018   0.00003   0.64629
   D107       2.34147  -0.00001  -0.00049  -0.00040  -0.00091   2.34056
   D108       0.15414  -0.00001  -0.00048  -0.00029  -0.00079   0.15335
   D109       1.77325   0.00000  -0.00009  -0.00020  -0.00028   1.77297
   D110      -0.41408   0.00000  -0.00007  -0.00009  -0.00016  -0.41424
   D111       2.61020  -0.00001   0.00070  -0.00014   0.00057   2.61077
   D112       0.42287  -0.00001   0.00071  -0.00003   0.00069   0.42356
   D113       2.27428  -0.00001   0.00038  -0.00028   0.00011   2.27439
   D114       0.08696  -0.00001   0.00039  -0.00018   0.00023   0.08718
   D115      -1.61038   0.00000  -0.00002  -0.00002  -0.00004  -1.61042
   D116       2.48548   0.00000  -0.00001   0.00008   0.00008   2.48556
   D117      -1.77561   0.00001  -0.00054   0.00009  -0.00046  -1.77607
   D118       2.32024   0.00001  -0.00053   0.00020  -0.00033   2.31991
   D119      -2.73480   0.00000   0.00001   0.00003   0.00003  -2.73477
   D120       1.36106   0.00000   0.00002   0.00014   0.00015   1.36121
   D121      -2.69997   0.00000   0.00044   0.00023   0.00066  -2.69932
   D122       1.39589   0.00001   0.00045   0.00034   0.00078   1.39666
   D123       1.34896   0.00001  -0.00120  -0.00069  -0.00190   1.34706
   D124      -0.83837   0.00001  -0.00119  -0.00058  -0.00177  -0.84015
   D125       1.31577   0.00001  -0.00101  -0.00058  -0.00160   1.31418
   D126      -0.87155   0.00001  -0.00100  -0.00047  -0.00147  -0.87303
   D127       1.67004   0.00001  -0.00099  -0.00054  -0.00153   1.66851
   D128      -0.51728   0.00001  -0.00097  -0.00044  -0.00141  -0.51869
   D129       1.79364   0.00001  -0.00125  -0.00061  -0.00186   1.79178
   D130      -0.39368   0.00001  -0.00124  -0.00050  -0.00174  -0.39543
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   D133      -0.92023  -0.00001  -0.00173  -0.00112  -0.00286  -0.92310
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   D180       0.36049   0.00001  -0.00102   0.00028  -0.00075   0.35974
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   D182      -3.09576   0.00001  -0.00126  -0.00017  -0.00142  -3.09719
   D183      -0.14063   0.00001  -0.00112  -0.00055  -0.00167  -0.14231
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   D185      -0.40841   0.00001  -0.00109  -0.00055  -0.00163  -0.41005
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   D187      -0.26022   0.00001  -0.00082  -0.00037  -0.00118  -0.26140
   D188       2.97033   0.00001  -0.00103   0.00005  -0.00097   2.96936
   D189      -0.35773   0.00001  -0.00089  -0.00034  -0.00122  -0.35895
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   D191      -0.85332   0.00001  -0.00138  -0.00064  -0.00201  -0.85533
   D192       0.30497  -0.00001  -0.00252  -0.00018  -0.00266   0.30231
   D193      -3.02309  -0.00001  -0.00238  -0.00057  -0.00291  -3.02600
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   D197      -2.86905  -0.00001  -0.00397  -0.00230  -0.00638  -2.87543
   D198       1.10762  -0.00001  -0.00268  -0.00087  -0.00354   1.10409
   D199      -2.22043  -0.00001  -0.00254  -0.00126  -0.00379  -2.22422
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   D201      -1.87750  -0.00001  -0.00210  -0.00140  -0.00351  -1.88101
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   D205      -0.53165  -0.00001  -0.00038  -0.00004  -0.00042  -0.53207
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   D209      -1.03323   0.00001   0.00170   0.00088   0.00259  -1.03064
   D210       2.11218  -0.00001   0.00001   0.00001   0.00003   2.11221
   D211      -0.10279  -0.00001  -0.00006   0.00009   0.00003  -0.10275
   D212       2.22711  -0.00001   0.00015  -0.00003   0.00012   2.22723
   D213       0.01214  -0.00001   0.00008   0.00004   0.00012   0.01226
   D214      -2.23627   0.00001   0.00060   0.00025   0.00086  -2.23542
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   D222      -2.90038   0.00000   0.00063   0.00022   0.00086  -2.89952
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   D224       3.04953   0.00000   0.00041   0.00006   0.00046   3.04999
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   D230      -1.56514  -0.00001   0.00026  -0.00005   0.00022  -1.56492
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   D350       1.77264  -0.00001  -0.00140   0.00091  -0.00050   1.77214
   D351      -2.32605  -0.00001  -0.00119   0.00140   0.00021  -2.32584
   D352       2.18738   0.00000  -0.00170   0.00110  -0.00062   2.18676
   D353      -1.91131   0.00000  -0.00149   0.00159   0.00009  -1.91122
   D354       2.38124  -0.00001  -0.00301   0.00135  -0.00168   2.37957
   D355      -1.71744  -0.00001  -0.00280   0.00184  -0.00097  -1.71841
   D356       3.01692   0.00002  -0.00213   0.00191  -0.00015   3.01677
   D357      -1.08176   0.00002  -0.00192   0.00241   0.00056  -1.08121
   D358       2.53088   0.00000  -0.00098   0.00108   0.00011   2.53099
   D359      -1.56781   0.00000  -0.00077   0.00158   0.00081  -1.56699
   D360       1.61468   0.00000  -0.00079   0.00015  -0.00062   1.61406
   D361      -2.48400   0.00001  -0.00058   0.00065   0.00008  -2.48392
   D362       1.76338   0.00002  -0.00161   0.00055  -0.00102   1.76236
   D363      -2.33530   0.00002  -0.00140   0.00104  -0.00032  -2.33562
   D364       2.74030   0.00000  -0.00064   0.00034  -0.00029   2.74001
   D365      -1.35838   0.00000  -0.00043   0.00083   0.00041  -1.35797
   D366       2.70872  -0.00001  -0.00149   0.00069  -0.00081   2.70791
   D367      -1.38997  -0.00001  -0.00128   0.00118  -0.00010  -1.39007
   D368       0.04416   0.00000  -0.00026   0.00008  -0.00022   0.04394
   D369      -2.70061   0.00000  -0.00095   0.00108   0.00009  -2.70052
   D370       0.44316   0.00000  -0.00044   0.00019  -0.00026   0.44290
   D371      -2.30161   0.00000  -0.00113   0.00119   0.00005  -2.30156
   D372       0.64197   0.00000   0.00036   0.00065   0.00104   0.64300
   D373      -2.10280   0.00000  -0.00032   0.00165   0.00134  -2.10146
   D374       0.90675   0.00000   0.00112   0.00091   0.00203   0.90878
   D375      -1.83802   0.00001   0.00043   0.00191   0.00234  -1.83568
   D376       0.70134   0.00000  -0.00166  -0.00035  -0.00199   0.69935
   D377      -2.04344   0.00000  -0.00235   0.00065  -0.00168  -2.04511
   D378       1.03676   0.00000  -0.00145  -0.00026  -0.00170   1.03506
   D379      -1.70801   0.00000  -0.00213   0.00074  -0.00139  -1.70940
   D380      -2.80149   0.00000   0.00113   0.00112   0.00223  -2.79926
   D381       0.73692   0.00000   0.00044   0.00212   0.00254   0.73946
   D382      -2.23975   0.00000   0.00163   0.00137   0.00304  -2.23672
   D383       1.29866   0.00000   0.00094   0.00237   0.00334   1.30201
   D384      -1.97388   0.00000   0.00059   0.00055   0.00116  -1.97273
   D385       1.56453   0.00000  -0.00010   0.00155   0.00147   1.56600
   D386      -1.63225  -0.00001   0.00056   0.00028   0.00085  -1.63140
   D387       1.90617   0.00000  -0.00013   0.00128   0.00116   1.90732
   D388      -1.70659   0.00001   0.00289   0.00196   0.00498  -1.70161
   D389       1.83183   0.00001   0.00220   0.00297   0.00529   1.83712
   D390      -1.06584   0.00000   0.00061   0.00008   0.00056  -1.06528
   D391       2.47257   0.00000  -0.00008   0.00108   0.00087   2.47344
   D392       1.78682  -0.00001   0.00023   0.00030   0.00054   1.78735
   D393      -0.95795   0.00000  -0.00046   0.00130   0.00085  -0.95711
   D394       2.08556  -0.00001  -0.00003   0.00020   0.00018   2.08574
   D395      -0.65921  -0.00001  -0.00071   0.00120   0.00048  -0.65873
   D396       2.02848  -0.00001  -0.00055  -0.00003  -0.00058   2.02790
   D397      -0.71629  -0.00001  -0.00124   0.00097  -0.00027  -0.71657
   D398       2.22098  -0.00001  -0.00058   0.00001  -0.00059   2.22040
   D399      -0.52379  -0.00001  -0.00127   0.00101  -0.00028  -0.52406
   D400       2.48869  -0.00001   0.00024   0.00025   0.00049   2.48918
   D401      -0.25608  -0.00001  -0.00045   0.00125   0.00080  -0.25528
   D402      -1.49605   0.00001   0.00078  -0.00033   0.00044  -1.49561
   D403       2.04236   0.00001   0.00009   0.00068   0.00075   2.04312
   D404      -2.60018   0.00001   0.00036   0.00010   0.00046  -2.59972
   D405       0.93823   0.00002  -0.00033   0.00110   0.00077   0.93900
   D406      -2.97046   0.00000  -0.00027   0.00038   0.00009  -2.97036
   D407       0.56796   0.00001  -0.00096   0.00139   0.00040   0.56836
   D408       1.87389  -0.00001   0.00122   0.00015   0.00136   1.87525
   D409       2.36662  -0.00001  -0.00004  -0.00011  -0.00014   2.36648
   D410       2.59423   0.00000   0.00080   0.00029   0.00109   2.59533
   D411       2.81981   0.00000   0.00161   0.00057   0.00216   2.82197
   D412       2.78957  -0.00002  -0.00307  -0.00106  -0.00410   2.78546
   D413      -3.00320  -0.00002  -0.00169  -0.00059  -0.00229  -3.00550
   D414      -0.79240   0.00000   0.00149   0.00049   0.00198  -0.79043
   D415      -0.41332   0.00000   0.00170   0.00064   0.00233  -0.41099
   D416      -0.10038   0.00000   0.00123   0.00037   0.00159  -0.09879
   D417       0.20773   0.00000   0.00130   0.00044   0.00173   0.20946
   D418      -0.28184   0.00001   0.00247   0.00105   0.00350  -0.27833
   D419       0.03418   0.00001   0.00300   0.00125   0.00423   0.03841
   D420      -2.59843   0.00000   0.00070   0.00013   0.00082  -2.59760
   D421      -2.21659   0.00000   0.00077   0.00017   0.00094  -2.21565
   D422      -1.97636  -0.00001   0.00041   0.00007   0.00049  -1.97587
   D423      -1.66178   0.00000   0.00058   0.00017   0.00074  -1.66104
   D424      -1.99769   0.00000   0.00122   0.00025   0.00147  -1.99622
   D425       1.35070  -0.00001   0.00145  -0.00054   0.00092   1.35162
   D426       2.49383   0.00001   0.00083  -0.00027   0.00057   2.49440
   D427       2.94937   0.00002   0.00021   0.00005   0.00030   2.94966
   D428      -3.05575  -0.00001  -0.00283  -0.00117  -0.00400  -3.05975
   D429       0.02466   0.00000   0.00011   0.00006   0.00017   0.02483
   D430       0.05887  -0.00004  -0.00294  -0.00130  -0.00424   0.05463
   D431       3.13929  -0.00002   0.00000  -0.00007  -0.00007   3.13922
   D432      -0.12354   0.00003   0.00507   0.00033   0.00540  -0.11814
   D433       1.97510   0.00002   0.00435   0.00083   0.00519   1.98029
   D434      -2.22076   0.00003   0.00509   0.00050   0.00558  -2.21518
   D435       3.07614   0.00002   0.00233  -0.00085   0.00147   3.07762
   D436      -1.10839   0.00001   0.00160  -0.00034   0.00125  -1.10714
   D437       0.97893   0.00002   0.00234  -0.00067   0.00165   0.98058
   D438      -2.35923   0.00001  -0.00484  -0.00099  -0.00584  -2.36507
   D439      -0.26886   0.00000  -0.00529  -0.00106  -0.00635  -0.27521
   D440       1.83855   0.00000  -0.00531  -0.00102  -0.00634   1.83221
   D441       0.72412   0.00002  -0.00206   0.00020  -0.00188   0.72224
   D442       2.81449   0.00002  -0.00252   0.00013  -0.00239   2.81210
   D443      -1.36128   0.00001  -0.00254   0.00017  -0.00238  -1.36367
   D444      -0.00481   0.00001  -0.00017   0.00037   0.00020  -0.00461
   D445       3.11624   0.00001  -0.00004  -0.00003  -0.00006   3.11617
   D446      -3.12491   0.00001  -0.00031   0.00049   0.00017  -3.12474
   D447      -0.00387   0.00001  -0.00018   0.00009  -0.00009  -0.00396
   D448       2.44134  -0.00001   0.00212  -0.00049   0.00163   2.44298
   D449      -1.75649  -0.00001   0.00206  -0.00046   0.00161  -1.75488
   D450       0.35200  -0.00002   0.00220  -0.00049   0.00171   0.35371
   D451      -0.68070  -0.00001   0.00199  -0.00011   0.00188  -0.67882
   D452       1.40465   0.00000   0.00194  -0.00008   0.00185   1.40651
   D453      -2.77004  -0.00002   0.00207  -0.00011   0.00196  -2.76808
   D454       2.05744   0.00000  -0.00120  -0.00003  -0.00124   2.05620
   D455      -2.14099   0.00000  -0.00122  -0.00011  -0.00135  -2.14233
   D456      -0.04777   0.00000  -0.00133  -0.00007  -0.00140  -0.04917
   D457      -1.10371   0.00000  -0.00108  -0.00040  -0.00148  -1.10519
   D458       0.98105   0.00000  -0.00110  -0.00049  -0.00159   0.97945
   D459       3.07426   0.00000  -0.00121  -0.00044  -0.00165   3.07262
   D460      -3.08183   0.00002  -0.00025   0.00000  -0.00026  -3.08209
   D461      -0.02791   0.00002   0.00098   0.00012   0.00111  -0.02680
   D462       0.07305   0.00001  -0.00046   0.00003  -0.00042   0.07262
   D463       3.12697   0.00001   0.00078   0.00016   0.00094   3.12792
   D464       1.93354  -0.00001  -0.00031  -0.00035  -0.00065   1.93289
   D465      -2.26678  -0.00001  -0.00046  -0.00030  -0.00076  -2.26755
   D466      -0.17362  -0.00001  -0.00034  -0.00048  -0.00082  -0.17444
   D467      -1.12391  -0.00001  -0.00149  -0.00046  -0.00195  -1.12586
   D468       0.95895  -0.00001  -0.00164  -0.00042  -0.00206   0.95690
   D469       3.05211  -0.00001  -0.00151  -0.00060  -0.00211   3.05000
   D470      -1.63435   0.00000   0.00336   0.00006   0.00342  -1.63093
   D471       0.46999  -0.00001   0.00336   0.00003   0.00339   0.47338
   D472       2.56120  -0.00001   0.00283   0.00004   0.00287   2.56407
   D473       1.42348  -0.00001   0.00455   0.00017   0.00472   1.42819
   D474      -2.75537  -0.00002   0.00454   0.00014   0.00469  -2.75068
   D475      -0.66415  -0.00001   0.00402   0.00015   0.00416  -0.65999
   D476       0.00633   0.00002   0.00092   0.00019   0.00111   0.00744
   D477      -3.09698   0.00003  -0.00219   0.00016  -0.00204  -3.09902
   D478       3.12321  -0.00002   0.00103   0.00034   0.00137   3.12458
   D479       0.01990  -0.00001  -0.00208   0.00031  -0.00177   0.01813
   D480      -0.29146  -0.00001  -0.00022  -0.00053  -0.00076  -0.29222
   D481       1.81433   0.00004  -0.00003  -0.00020  -0.00022   1.81411
   D482      -2.38371   0.00001  -0.00060  -0.00057  -0.00114  -2.38486
   D483       2.81361  -0.00001   0.00276  -0.00051   0.00225   2.81586
   D484      -1.36378   0.00003   0.00296  -0.00018   0.00279  -1.36099
   D485       0.72136   0.00000   0.00239  -0.00055   0.00187   0.72323
   D486       0.01726   0.00002   0.00361   0.00038   0.00399   0.02125
   D487       2.10914   0.00000   0.00375   0.00003   0.00380   2.11294
   D488      -2.08835   0.00000   0.00369   0.00009   0.00380  -2.08455
   D489      -3.08791   0.00002   0.00064   0.00035   0.00098  -3.08692
   D490      -0.99603   0.00000   0.00078   0.00001   0.00080  -0.99523
   D491       1.08966   0.00000   0.00072   0.00007   0.00080   1.09046
         Item               Value     Threshold  Converged?
 Maximum Force            0.000054     0.000450     YES
 RMS     Force            0.000011     0.000300     YES
 Maximum Displacement     0.017220     0.001800     NO 
 RMS     Displacement     0.001903     0.001200     NO 
 Predicted change in Energy=-2.755386D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:44:54 2016, MaxMem=  2952790016 cpu:         5.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.847762   -0.613700    1.688487
      2          6           0       -2.126880    1.073830   -1.357036
      3          8           0       -2.661786    0.085693   -1.889337
      4          7           0       -0.835412    1.140690   -0.933046
      5          1           0       -2.688979    2.007185   -1.153196
      6          6           0       -0.320803    2.313550   -0.225237
      7          1           0       -1.081464    3.106649   -0.223415
      8          1           0       -0.070656    2.044660    0.813742
      9          1           0        0.589514    2.682014   -0.725185
     10          6           0        0.090448    0.017345   -1.098411
     11          1           0        0.656790   -0.125262   -0.164675
     12          1           0       -0.478986   -0.893944   -1.323385
     13          1           0        0.801355    0.221125   -1.916047
     14          6           0       -1.979016   -4.038448    2.610817
     15          8           0       -2.121596   -3.894060    3.837133
     16          7           0       -2.908949   -3.733050    1.665607
     17          1           0       -1.038106   -4.423148    2.169815
     18          6           0       -4.220722   -3.188047    2.024640
     19          1           0       -4.491585   -2.406609    1.297102
     20          1           0       -4.990665   -3.977213    2.001008
     21          1           0       -4.172433   -2.752722    3.031284
     22          6           0       -2.640592   -3.908013    0.237911
     23          1           0       -3.337656   -4.644722   -0.194161
     24          1           0       -2.777568   -2.946833   -0.284971
     25          1           0       -1.607152   -4.253809    0.095829
     26          6           0        1.530697    0.377737    2.627124
     27          8           0        1.355280    1.392745    3.322400
     28          7           0        1.158008   -0.885990    2.967687
     29          1           0        2.011599    0.423389    1.630097
     30          6           0        1.471556   -2.034025    2.116488
     31          1           0        2.224206   -2.677514    2.602381
     32          1           0        0.561473   -2.631550    1.947382
     33          1           0        1.857392   -1.681141    1.150291
     34          6           0        0.518754   -1.167584    4.255732
     35          1           0        1.269503   -1.461250    5.009139
     36          1           0       -0.011477   -0.270534    4.599760
     37          1           0       -0.195662   -1.993509    4.126212
     38          6           0       -4.576332    1.284025    2.893093
     39          8           0       -4.815652    1.943804    1.867721
     40          7           0       -3.478987    1.420916    3.687092
     41          1           0       -5.253676    0.480162    3.246393
     42          6           0       -2.436237    2.408568    3.398674
     43          1           0       -2.535595    2.749138    2.360126
     44          1           0       -2.522250    3.271299    4.080353
     45          1           0       -1.448303    1.944253    3.542082
     46          6           0       -3.262067    0.557450    4.848123
     47          1           0       -4.080744   -0.171607    4.924421
     48          1           0       -2.306978    0.017608    4.737958
     49          1           0       -3.219076    1.160584    5.769896
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.492975   0.000000
     3  O    3.735319   1.243336   0.000000
     4  N    3.312879   1.360929   2.315849   0.000000
     5  H    3.956241   1.108448   2.057857   2.057909   0.000000
     6  C    3.816115   2.465723   3.634939   1.463358   2.561879
     7  H    4.252478   2.551537   3.794587   2.104545   2.158105
     8  H    3.315141   3.143699   4.225890   2.110280   3.275036
     9  H    4.756874   3.219362   4.320543   2.109337   3.374479
    10  C    3.452778   2.469735   2.864443   1.465083   3.418725
    11  H    3.153658   3.257048   3.745919   2.102307   4.088847
    12  H    3.320159   2.566870   2.458578   2.102176   3.650970
    13  H    4.550541   3.100671   3.465892   2.119174   3.994294
    14  C    3.549200   6.473107   6.142158   6.378892   7.156921
    15  O    3.930958   7.187444   6.994476   7.053905   7.749193
    16  N    3.294995   5.731850   5.223171   5.899652   6.398776
    17  H    3.924171   6.621245   6.280343   6.373785   7.424080
    18  C    3.517272   5.829537   5.335435   6.240689   6.279754
    19  H    3.218308   4.974911   4.439947   5.560979   5.360497
    20  H    4.613971   6.707515   6.088158   7.215797   7.145613
    21  H    3.432582   6.171235   5.878024   6.481533   6.509011
    22  C    3.685817   5.256093   4.524966   5.488098   6.076766
    23  H    4.691832   5.959874   5.070232   6.346509   6.751918
    24  H    3.194148   4.211704   3.432726   4.571631   5.030303
    25  H    3.980558   5.546591   4.887168   5.545700   6.475373
    26  C    3.643895   5.453067   6.169329   4.342278   5.895047
    27  O    4.117641   5.841598   6.708756   4.792857   6.063376
    28  N    3.277980   5.773614   6.255053   4.826684   6.336517
    29  H    3.996703   5.145197   5.860118   3.897396   5.687755
    30  C    3.635709   5.888368   6.133870   4.969967   6.658247
    31  H    4.655691   6.977215   7.189143   6.036489   7.758231
    32  H    3.153277   5.645907   5.700283   4.947519   6.457312
    33  H    3.893231   5.454445   5.725732   4.422015   6.291207
    34  C    3.535242   6.597460   7.031956   5.838262   7.044516
    35  H    4.632754   7.647891   8.089316   6.819847   8.103949
    36  H    3.459077   6.462636   7.018505   5.769086   6.741923
    37  H    3.252047   6.572989   6.825810   5.985697   7.077735
    38  C    3.535185   4.909949   5.288962   5.352977   4.522999
    39  O    3.921903   4.287821   4.712452   4.932707   3.694956
    40  N    3.285572   5.233727   5.791995   5.330355   4.939252
    41  H    3.901776   5.596504   5.766214   6.117602   5.316564
    42  C    3.522094   4.949142   5.780111   4.788940   4.576517
    43  H    3.497555   4.097682   5.016752   4.040137   3.594086
    44  H    4.611851   5.877957   6.767921   5.702550   5.386633
    45  H    3.184102   5.021898   5.867461   4.587822   4.856838
    46  C    3.654470   6.329241   6.780579   6.296883   6.200483
    47  H    3.956378   6.695178   6.964693   6.823798   6.604663
    48  H    3.147809   6.188457   6.637135   5.965493   6.229770
    49  H    4.656875   7.210658   7.754342   7.114188   6.994780
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098915   0.000000
     8  H    1.101977   1.795898   0.000000
     9  H    1.101994   1.795622   1.791743   0.000000
    10  C    2.490807   3.418010   2.791468   2.736572   0.000000
    11  H    2.628147   3.670180   2.488983   2.863476   1.101336
    12  H    3.393961   4.192572   3.656425   3.779817   1.097869
    13  H    2.914844   3.838783   3.396680   2.742080   1.102472
    14  C    7.151277   7.738920   6.623860   7.930376   5.872862
    15  O    7.634142   8.159647   6.972491   8.450421   6.674715
    16  N    6.843623   7.327318   6.493344   7.688185   5.540907
    17  H    7.185674   7.901093   6.678880   7.843054   5.627870
    18  C    7.109071   7.384571   6.787528   8.072021   6.214031
    19  H    6.480189   6.658596   6.292221   7.470027   5.710435
    20  H    8.144783   8.391127   7.866323   9.105813   7.168026
    21  H    7.148923   7.381015   6.690062   8.143928   6.549795
    22  C    6.656108   7.200637   6.509260   7.401999   4.965156
    23  H    7.584189   8.073104   7.512455   8.329809   5.856999
    24  H    5.806108   6.286906   5.783557   6.573807   4.203992
    25  H    6.699849   7.386108   6.522800   7.321546   4.748769
    26  C    3.912976   4.732432   2.937910   4.175342   4.010462
    27  O    4.030243   4.631198   2.958319   4.316428   4.799489
    28  N    4.755913   5.580281   3.838985   5.166347   4.299867
    29  H    3.529174   4.494711   2.762380   3.559643   3.361614
    30  C    5.253345   6.198353   4.550960   5.576211   4.056002
    31  H    6.275605   7.236651   5.546580   6.516859   5.050847
    32  H    5.472906   6.351262   4.853005   5.947887   4.063910
    33  H    4.753332   5.783327   4.208589   4.915490   3.326199
    34  C    5.736047   6.394726   4.744809   6.295549   5.500395
    35  H    6.646569   7.332964   5.629279   7.107143   6.393635
    36  H    5.482132   5.984418   4.438193   6.118314   5.706349
    37  H    6.123849   6.761324   5.224451   6.783293   5.605540
    38  C    5.375261   5.024807   5.020296   6.460052   6.270201
    39  O    4.972008   4.435000   4.861690   6.040194   6.048058
    40  N    5.106588   4.886909   4.501324   6.132802   6.132856
    41  H    6.304504   6.028711   5.935414   7.400301   6.902984
    42  C    4.197240   3.929663   3.522822   5.122124   5.685584
    43  H    3.432075   2.986134   2.993913   4.392033   5.130329
    44  H    4.929681   4.541519   4.264469   5.755304   6.650865
    45  H    3.949725   3.957866   3.058076   4.786079   5.254989
    46  C    6.121593   6.080620   5.354729   7.100015   6.847798
    47  H    6.843402   6.800210   6.155512   7.865908   7.328647
    48  H    5.818036   5.971539   4.950711   6.733101   6.309585
    49  H    6.758028   6.654046   5.937811   7.681548   7.709318
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795402   0.000000
    13  H    1.791141   1.798305   0.000000
    14  C    5.473925   5.255087   6.809327   0.000000
    15  O    6.159361   6.191107   7.653592   1.242991   0.000000
    16  N    5.392640   4.785323   6.498470   1.360685   2.315464
    17  H    5.176325   4.997034   6.453462   1.108056   2.057628
    18  C    6.161483   5.520215   7.236901   2.468204   2.861803
    19  H    5.817826   5.025541   6.726406   3.271352   3.779036
    20  H    7.170876   6.396357   8.155787   3.073377   3.407320
    21  H    6.359174   6.004977   7.619608   2.577006   2.481528
    22  C    5.034283   4.024276   5.791055   2.466856   3.636475
    23  H    6.031748   4.849276   6.616100   3.175118   4.277105
    24  H    4.446408   3.252096   5.050253   3.196076   4.280103
    25  H    4.715739   3.817803   5.465674   2.551436   3.793603
    26  C    2.968310   4.611130   4.604006   5.641015   5.749054
    27  O    3.866771   5.493341   5.396374   6.412623   6.348537
    28  N    3.262150   4.592724   5.020335   4.461644   4.534338
    29  H    2.314678   4.081843   3.752431   6.065873   6.371395
    30  C    3.083979   4.115474   4.668642   4.021010   4.396713
    31  H    4.077670   5.089206   5.553631   4.418064   4.678738
    32  H    3.278925   3.847044   4.808470   2.978858   3.516240
    33  H    2.364601   3.492480   3.759821   4.733716   5.286632
    34  C    4.543731   5.674232   6.332396   4.145655   3.818421
    35  H    5.378534   6.593930   7.141971   4.790280   4.334942
    36  H    4.813265   5.974182   6.584692   4.693003   4.261941
    37  H    4.756967   5.566635   6.512107   3.107821   2.721191
    38  C    6.222668   6.269807   7.292263   5.929119   5.807711
    39  O    6.193488   6.086267   6.988226   6.662284   6.724372
    40  N    5.859303   6.281996   7.152342   5.763067   5.487623
    41  H    6.850951   6.750460   7.961237   5.616510   5.412275
    42  C    5.355797   6.085660   6.596451   6.511051   6.325691
    43  H    4.982782   5.574042   5.984291   6.814980   6.817993
    44  H    6.297871   7.122118   7.503780   7.475763   7.180672
    45  H    4.738602   5.715568   6.149903   6.077963   5.884410
    46  C    6.399350   6.923843   7.898007   5.270108   4.705180
    47  H    6.953077   7.247725   8.413153   4.972171   4.344780
    48  H    5.730632   6.396277   7.347036   4.591719   4.018333
    49  H    7.203809   7.876790   8.724687   6.208660   5.521726
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056822   0.000000
    18  C    1.465155   3.416957   0.000000
    19  H    2.097612   4.093235   1.101509   0.000000
    20  H    2.122651   3.981215   1.102793   1.792027   0.000000
    21  H    2.102976   3.654649   1.097803   1.796952   1.797318
    22  C    1.463197   2.562339   2.491498   2.608116   2.938731
    23  H    2.115106   3.305360   2.797282   2.926528   2.827857
    24  H    2.107168   3.351300   2.734078   2.394296   3.344426
    25  H    2.104773   2.157291   3.418611   3.629759   3.892861
    26  C    6.126463   5.464100   6.793867   6.766788   7.866752
    27  O    6.870399   6.393853   7.332096   7.261043   8.417455
    28  N    5.132378   4.239222   5.926175   6.084492   6.949555
    29  H    6.441199   5.751602   7.213874   7.100083   8.278562
    30  C    4.720043   3.465423   5.808806   6.030693   6.749045
    31  H    5.323625   3.725189   6.490881   6.846824   7.355626
    32  H    3.651922   2.412044   4.815086   5.099692   5.713136
    33  H    5.214777   4.116060   6.322873   6.391977   7.272658
    34  C    5.003949   4.168160   5.614506   5.949131   6.582666
    35  H    5.813755   4.707405   6.483182   6.918313   7.387058
    36  H    5.384572   4.919634   5.732440   5.961688   6.729435
    37  H    4.054936   3.231153   4.695172   5.160375   5.607462
    38  C    5.427516   6.753814   4.569475   4.021834   5.352394
    39  O    5.991914   7.409399   5.168603   4.399627   5.925102
    40  N    5.565493   6.512536   4.955448   4.624647   5.853875
    41  H    5.074227   6.555341   4.001928   3.565665   4.635553
    42  C    6.398941   7.080764   6.032782   5.641542   7.018317
    43  H    6.529971   7.329419   6.180807   5.615839   7.169389
    44  H    7.418991   8.065814   6.988127   6.622945   7.934587
    45  H    6.155195   6.526499   6.027392   5.764677   7.070149
    46  C    5.353642   6.076651   4.787465   4.786137   5.626480
    47  H    4.967580   5.909408   4.186554   4.280359   4.884357
    48  H    4.885606   5.284478   4.615272   4.742239   5.536395
    49  H    6.394452   6.992516   5.825876   5.860890   6.613623
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388829   0.000000
    23  H    3.831450   1.102418   0.000000
    24  H    3.602898   1.102740   1.790188   0.000000
    25  H    4.177418   1.098981   1.797651   1.795290   0.000000
    26  C    6.518345   6.440159   7.542255   6.172051   6.140421
    27  O    6.915581   7.319774   8.416701   6.994676   7.146350
    28  N    5.648216   5.568991   6.658554   5.505962   5.218801
    29  H    7.091775   6.507082   7.591324   6.161331   6.109462
    30  C    5.762637   4.893940   5.939980   4.965408   4.299877
    31  H    6.411444   5.547172   6.528772   5.781616   4.842191
    32  H    4.857921   3.847710   4.882855   4.028895   3.280687
    33  H    6.406654   5.101300   6.130162   5.014460   4.442249
    34  C    5.100899   5.799509   6.838416   5.886378   5.599022
    35  H    5.932494   6.636272   7.644262   6.827396   6.341462
    36  H    5.092635   6.258532   7.292370   6.218877   6.220775
    37  H    4.194041   4.976132   5.963781   5.199385   4.831691
    38  C    4.059256   6.144456   6.798199   5.588900   6.878104
    39  O    4.881082   6.452203   7.060064   5.718933   7.200311
    40  N    4.281380   6.402909   7.202505   5.945293   6.971617
    41  H    3.415684   5.927499   6.463202   5.508715   6.755269
    42  C    5.457863   7.066214   7.966801   6.508922   7.482207
    43  H    5.779287   6.988024   7.863642   6.284837   7.418242
    44  H    6.333441   8.143763   9.033258   7.601737   8.563940
    45  H    5.453749   6.825549   7.806649   6.351063   7.093508
    46  C    3.884187   6.448305   7.245201   6.234051   6.962129
    47  H    3.202270   6.164263   6.838189   6.044660   6.789575
    48  H    3.750652   5.980988   6.864796   5.851426   6.346977
    49  H    4.870611   7.525169   8.323798   7.329885   8.006808
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242747   0.000000
    28  N    1.360841   2.314599   0.000000
    29  H    1.107887   2.057740   2.057241   0.000000
    30  C    2.465937   3.634624   1.463159   2.562637   0.000000
    31  H    3.133070   4.223798   2.116550   3.256707   1.103020
    32  H    3.233768   4.326170   2.108045   3.396497   1.101764
    33  H    2.554749   3.797228   2.103410   2.164033   1.098606
    34  C    2.462603   2.850644   1.465265   3.413758   2.496981
    35  H    3.020611   3.316282   2.123883   3.939606   2.955727
    36  H    2.586475   2.503232   2.100034   3.659681   3.387613
    37  H    3.293993   3.810282   2.097904   4.116308   2.611559
    38  C    6.179636   5.948121   6.131654   6.762890   6.941867
    39  O    6.580684   6.363974   6.700916   6.998535   7.444057
    40  N    5.225772   4.848086   5.228871   5.947506   6.237892
    41  H    6.813348   6.672098   6.561535   7.443108   7.268188
    42  C    4.522845   3.925979   4.894738   5.181896   6.054046
    43  H    4.714823   4.231392   5.217853   5.159363   6.244619
    44  H    5.187577   4.374780   5.662630   5.888135   6.924861
    45  H    3.487916   2.865746   3.890124   4.235520   5.136593
    46  C    5.285426   4.934110   5.015638   6.179419   6.048533
    47  H    6.088319   5.879118   5.637701   6.951492   6.494699
    48  H    4.394663   4.160161   3.994556   5.336063   5.035734
    49  H    5.748931   5.193156   5.585669   6.711285   6.749439
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787685   0.000000
    33  H    1.798855   1.793889   0.000000
    34  C    2.814609   2.733770   3.420447   0.000000
    35  H    2.860636   3.353396   3.909562   1.103397   0.000000
    36  H    3.844652   3.596911   4.169091   1.097360   1.796192
    37  H    2.940354   2.393250   3.628872   1.099689   1.791527
    38  C    7.875635   6.528639   7.295366   5.816104   6.796173
    39  O    8.453160   7.060714   7.627873   6.621119   7.648007
    40  N    7.106346   5.981170   6.673460   4.796418   5.709891
    41  H    8.142751   6.722063   7.722186   6.087264   7.030521
    42  C    6.944209   6.041134   6.341624   4.717561   5.594783
    43  H    7.222392   6.222057   6.355266   5.316304   6.262859
    44  H    7.752524   6.993034   7.231403   5.383507   6.134904
    45  H    5.977549   5.245974   5.458183   3.749952   4.597410
    46  C    6.753336   5.762245   6.700307   4.197770   4.963487
    47  H    7.171042   6.038564   7.196125   4.753367   5.504135
    48  H    5.688233   4.799308   5.753180   3.101932   3.879662
    49  H    7.375192   6.579091   7.428773   4.656654   5.253580
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796333   0.000000
    38  C    5.115395   5.608305   0.000000
    39  O    5.953774   6.476691   1.242566   0.000000
    40  N    3.964542   4.757242   1.361374   2.317368   0.000000
    41  H    5.465876   5.698828   1.108969   2.057875   2.056394
    42  C    3.807842   4.992772   2.469861   2.867305   1.464913
    43  H    4.528306   5.575576   2.568116   2.467729   2.101191
    44  H    4.372453   5.756155   3.094849   3.452198   2.119885
    45  H    2.844017   4.173283   3.262155   3.760655   2.102044
    46  C    3.363566   4.053565   2.465227   3.635711   1.463086
    47  H    4.083396   4.364668   2.547698   3.789257   2.104573
    48  H    2.317639   2.979342   3.187053   4.271058   2.108839
    49  H    3.702163   4.668086   3.183296   4.288293   2.115041
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417588   0.000000
    43  H    3.649889   1.097471   0.000000
    44  H    3.993322   1.102900   1.797779   0.000000
    45  H    4.088015   1.100985   1.796403   1.790013   0.000000
    46  C    2.556955   2.491894   3.394317   2.915781   2.630344
    47  H    2.148570   3.419008   4.182565   3.872332   3.649312
    48  H    3.334930   2.743553   3.628720   3.326453   2.424749
    49  H    3.312196   2.791594   3.823243   2.791996   2.951767
                   46         47         48         49
    46  C    0.000000
    47  H    1.098898   0.000000
    48  H    1.102616   1.793549   0.000000
    49  H    1.102400   1.797785   1.789752   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2140798      0.1926285      0.1848855
 Leave Link  202 at Mon Nov 14 01:44:54 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0024099588 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841494232 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8182605355 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4033
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.41%
 GePol: Cavity surface area                          =    466.485 Ang**2
 GePol: Cavity volume                                =    457.984 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040070310 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8142535045 Hartrees.
 Leave Link  301 at Mon Nov 14 01:44:54 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37507.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:44:55 2016, MaxMem=  2952790016 cpu:        15.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:44:56 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001075   -0.000001    0.001155
         Rot=    1.000000   -0.000074    0.000061   -0.000045 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 01:44:56 2016, MaxMem=  2952790016 cpu:         9.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48795267.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.44D-15 for   3555.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.38D-15 for   1883    696.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   2714.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.35D-09 for   1449   1418.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.15D-14 for   1865.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.41D-14 for   2067   1119.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for    305.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.11D-15 for   1957    648.
 E= -1013.45121475495    
 DIIS: error= 1.55D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45121475495     IErMin= 1 ErrMin= 1.55D-04
 ErrMax= 1.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-05 BMatP= 2.47D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.55D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.87D-05 MaxDP=8.82D-04              OVMax= 1.24D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.87D-05    CP:  1.00D+00
 E= -1013.45125484665     Delta-E=       -0.000040091694 Rises=F Damp=F
 DIIS: error= 2.62D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45125484665     IErMin= 2 ErrMin= 2.62D-05
 ErrMax= 2.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.72D-07 BMatP= 2.47D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.340D-01 0.966D+00
 Coeff:      0.340D-01 0.966D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.14D-06 MaxDP=5.41D-04 DE=-4.01D-05 OVMax= 7.31D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.04D-06    CP:  1.00D+00  9.61D-01
 E= -1013.45125170719     Delta-E=        0.000003139462 Rises=F Damp=F
 DIIS: error= 7.66D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45125484665     IErMin= 2 ErrMin= 2.62D-05
 ErrMax= 7.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.43D-06 BMatP= 6.72D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.245D-02 0.726D+00 0.272D+00
 Coeff:      0.245D-02 0.726D+00 0.272D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.40D-06 MaxDP=4.27D-04 DE= 3.14D-06 OVMax= 6.17D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.61D-06    CP:  1.00D+00  9.79D-01  2.73D-01
 E= -1013.45125539036     Delta-E=       -0.000003683173 Rises=F Damp=F
 DIIS: error= 7.65D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45125539036     IErMin= 4 ErrMin= 7.65D-06
 ErrMax= 7.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-08 BMatP= 6.72D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.444D-05 0.265D+00 0.134D+00 0.601D+00
 Coeff:     -0.444D-05 0.265D+00 0.134D+00 0.601D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.45D-07 MaxDP=4.26D-05 DE=-3.68D-06 OVMax= 7.16D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.66D-07    CP:  1.00D+00  9.81D-01  2.97D-01  6.57D-01
 E= -1013.45125542063     Delta-E=       -0.000000030274 Rises=F Damp=F
 DIIS: error= 4.35D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45125542063     IErMin= 5 ErrMin= 4.35D-06
 ErrMax= 4.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.26D-09 BMatP= 4.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.198D-04 0.142D+00 0.765D-01 0.404D+00 0.378D+00
 Coeff:     -0.198D-04 0.142D+00 0.765D-01 0.404D+00 0.378D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.08D-07 MaxDP=1.41D-05 DE=-3.03D-08 OVMax= 1.66D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.55D-07    CP:  1.00D+00  9.82D-01  2.94D-01  6.69D-01  7.09D-01
 E= -1013.45125542756     Delta-E=       -0.000000006926 Rises=F Damp=F
 DIIS: error= 2.15D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45125542756     IErMin= 6 ErrMin= 2.15D-07
 ErrMax= 2.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.86D-11 BMatP= 8.26D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-04 0.316D-01 0.176D-01 0.989D-01 0.125D+00 0.727D+00
 Coeff:     -0.179D-04 0.316D-01 0.176D-01 0.989D-01 0.125D+00 0.727D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.70D-08 MaxDP=1.38D-06 DE=-6.93D-09 OVMax= 1.31D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.19D-08    CP:  1.00D+00  9.82D-01  2.95D-01  6.74D-01  7.01D-01
                    CP:  8.99D-01
 E= -1013.45125542764     Delta-E=       -0.000000000084 Rises=F Damp=F
 DIIS: error= 1.02D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45125542764     IErMin= 7 ErrMin= 1.02D-07
 ErrMax= 1.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-11 BMatP= 4.86D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D-04 0.851D-02 0.496D-02 0.292D-01 0.444D-01 0.390D+00
 Coeff-Com:  0.523D+00
 Coeff:     -0.106D-04 0.851D-02 0.496D-02 0.292D-01 0.444D-01 0.390D+00
 Coeff:      0.523D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=4.64D-07 DE=-8.37D-11 OVMax= 7.98D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.29D-09    CP:  1.00D+00  9.82D-01  2.95D-01  6.74D-01  7.05D-01
                    CP:  9.11D-01  7.08D-01
 E= -1013.45125542760     Delta-E=        0.000000000046 Rises=F Damp=F
 DIIS: error= 4.94D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45125542764     IErMin= 8 ErrMin= 4.94D-08
 ErrMax= 4.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-12 BMatP= 1.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.621D-05 0.323D-02 0.195D-02 0.116D-01 0.195D-01 0.196D+00
 Coeff-Com:  0.337D+00 0.431D+00
 Coeff:     -0.621D-05 0.323D-02 0.195D-02 0.116D-01 0.195D-01 0.196D+00
 Coeff:      0.337D+00 0.431D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.72D-09 MaxDP=3.19D-07 DE= 4.64D-11 OVMax= 5.96D-07

 Error on total polarization charges =  0.04295
 SCF Done:  E(RB97D) =  -1013.45125543     A.U. after    8 cycles
            NFock=  8  Conv=0.47D-08     -V/T= 2.0213
 KE= 9.923504442934D+02 PE=-6.027107440084D+03 EE= 2.173491486859D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:46:39 2016, MaxMem=  2952790016 cpu:      1171.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37507.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 01:46:48 2016, MaxMem=  2952790016 cpu:        97.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:46:48 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:47:25 2016, MaxMem=  2952790016 cpu:       440.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.26840961D+00-2.72085891D+00 3.29290978D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000015175   -0.000132682   -0.000155542
      2        6          -0.000002186    0.000009418   -0.000040693
      3        8           0.000014170    0.000018783    0.000026263
      4        7          -0.000035135    0.000013923    0.000029579
      5        1           0.000025407    0.000030736    0.000040532
      6        6           0.000085362    0.000104698    0.000094582
      7        1          -0.000001576   -0.000014363    0.000056196
      8        1           0.000087673   -0.000028775    0.000014798
      9        1          -0.000001969    0.000001162   -0.000032050
     10        6           0.000048494    0.000077136    0.000120411
     11        1           0.000039249    0.000070578    0.000046111
     12        1           0.000051136    0.000020382   -0.000023901
     13        1           0.000026303    0.000032720    0.000017803
     14        6           0.000008536    0.000006617    0.000040971
     15        8          -0.000013821   -0.000028663   -0.000039042
     16        7          -0.000042982   -0.000004377   -0.000016621
     17        1          -0.000001758    0.000022051   -0.000042227
     18        6           0.000006097    0.000059519   -0.000020489
     19        1          -0.000021101    0.000045731    0.000031950
     20        1          -0.000004678    0.000006335   -0.000055529
     21        1          -0.000030904   -0.000048798   -0.000009635
     22        6          -0.000009155    0.000031400   -0.000034648
     23        1           0.000002633    0.000031884   -0.000063082
     24        1          -0.000003609   -0.000000407   -0.000007931
     25        1           0.000004370    0.000010955   -0.000030704
     26        6           0.000002267    0.000017963    0.000016592
     27        8           0.000025739   -0.000019886    0.000032142
     28        7          -0.000015328   -0.000052310   -0.000000670
     29        1          -0.000025062   -0.000003757    0.000017261
     30        6           0.000039076    0.000018692    0.000027736
     31        1           0.000007217   -0.000015390   -0.000027434
     32        1           0.000000419   -0.000004106   -0.000052854
     33        1          -0.000024778    0.000008800    0.000002741
     34        6           0.000000272   -0.000012544   -0.000073579
     35        1          -0.000019383   -0.000044203    0.000011942
     36        1           0.000017958   -0.000013058    0.000055446
     37        1          -0.000031409   -0.000009639   -0.000006655
     38        6          -0.000096953   -0.000021368   -0.000053378
     39        8           0.000076187   -0.000031493   -0.000007735
     40        7          -0.000043361    0.000041564   -0.000018200
     41        1           0.000030163   -0.000032008   -0.000008433
     42        6          -0.000025121    0.000088589    0.000039006
     43        1          -0.000000484   -0.000061965   -0.000014894
     44        1           0.000004933   -0.000033907    0.000049180
     45        1           0.000036947   -0.000095459    0.000047934
     46        6          -0.000143732   -0.000002580    0.000079660
     47        1          -0.000018547   -0.000023213   -0.000038479
     48        1          -0.000024571   -0.000000212   -0.000031292
     49        1          -0.000018178   -0.000034474    0.000006861
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000155542 RMS     0.000043199
 Leave Link  716 at Mon Nov 14 01:47:25 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000066969 RMS     0.000012445
 Search for a local minimum.
 Step number  34 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .12445D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   25   26   27   28   29
                                                     30   31   32   33   34
 DE= -2.66D-06 DEPred=-2.76D-06 R= 9.65D-01
 TightC=F SS=  1.41D+00  RLast= 6.59D-02 DXNew= 2.2445D+00 1.9769D-01
 Trust test= 9.65D-01 RLast= 6.59D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00027   0.00065   0.00091   0.00133   0.00228
     Eigenvalues ---    0.00302   0.00351   0.00397   0.00484   0.00598
     Eigenvalues ---    0.00685   0.00710   0.00771   0.00800   0.00871
     Eigenvalues ---    0.00903   0.01020   0.01032   0.01069   0.01136
     Eigenvalues ---    0.01196   0.01266   0.01316   0.01360   0.01504
     Eigenvalues ---    0.01534   0.01566   0.01629   0.01703   0.01776
     Eigenvalues ---    0.01800   0.01844   0.01876   0.01904   0.01952
     Eigenvalues ---    0.02119   0.02143   0.02259   0.02343   0.02402
     Eigenvalues ---    0.02549   0.02684   0.02931   0.03076   0.03549
     Eigenvalues ---    0.03807   0.04331   0.04410   0.04763   0.04922
     Eigenvalues ---    0.05469   0.05718   0.05953   0.06068   0.06304
     Eigenvalues ---    0.06513   0.06676   0.07077   0.07230   0.07457
     Eigenvalues ---    0.07571   0.07811   0.07992   0.08204   0.08260
     Eigenvalues ---    0.08290   0.08446   0.08615   0.08737   0.08794
     Eigenvalues ---    0.08879   0.09152   0.09330   0.09640   0.09799
     Eigenvalues ---    0.09903   0.10007   0.10092   0.10298   0.10479
     Eigenvalues ---    0.10492   0.10590   0.10646   0.10779   0.11231
     Eigenvalues ---    0.11321   0.11364   0.11486   0.12317   0.13342
     Eigenvalues ---    0.13551   0.13887   0.14553   0.15222   0.15309
     Eigenvalues ---    0.15636   0.16319   0.22052   0.23137   0.23306
     Eigenvalues ---    0.23897   0.24469   0.24900   0.25778   0.26472
     Eigenvalues ---    0.26991   0.27795   0.28628   0.29284   0.29698
     Eigenvalues ---    0.29870   0.30005   0.32718   0.32729   0.32821
     Eigenvalues ---    0.32826   0.33301   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33425   0.33451   0.33489   0.33689
     Eigenvalues ---    0.33793   0.33830   0.33835   0.33918   0.33940
     Eigenvalues ---    0.33994   0.34015   0.34150   0.37288   0.39348
     Eigenvalues ---    0.40581   0.41380   0.85938   0.85987   0.86083
     Eigenvalues ---    0.87261
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    34   33   32   31   30
 RFO step:  Lambda=-4.85903542D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  8.23D-06 SmlDif=  1.00D-05
 RMS Error=  0.5686951064D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.44338   -1.98760   -0.43042    1.11111   -0.13647
 Iteration  1 RMS(Cart)=  0.00156908 RMS(Int)=  0.00000500
 Iteration  2 RMS(Cart)=  0.00000208 RMS(Int)=  0.00000368
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000368
 ITry= 1 IFail=0 DXMaxC= 1.35D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.60077  -0.00003  -0.00115  -0.00086  -0.00201   6.59876
    R2        6.26043  -0.00001  -0.00023  -0.00028  -0.00051   6.25993
    R3        7.21141   0.00001   0.00606   0.00219   0.00826   7.21967
    R4        6.26471   0.00001   0.00933   0.00450   0.01383   6.27854
    R5        6.52480   0.00000  -0.00124   0.00007  -0.00118   6.52363
    R6        5.95955   0.00002   0.00379   0.00157   0.00537   5.96492
    R7        6.70702   0.00001  -0.00096  -0.00061  -0.00158   6.70544
    R8        6.22664   0.00000  -0.00026  -0.00004  -0.00031   6.22633
    R9        6.64668   0.00001   0.00065   0.00034   0.00100   6.64768
   R10        6.08172   0.00000   0.00035   0.00026   0.00062   6.08234
   R11        6.96518  -0.00002  -0.00138  -0.00023  -0.00161   6.96358
   R12        6.03607  -0.00001  -0.00082  -0.00017  -0.00100   6.03507
   R13        6.88596   0.00001  -0.00099  -0.00040  -0.00140   6.88457
   R14        6.19448   0.00000   0.00008  -0.00025  -0.00018   6.19430
   R15        6.87049  -0.00002   0.00012  -0.00028  -0.00016   6.87033
   R16        5.95883   0.00000   0.00080   0.00020   0.00100   5.95983
   R17        6.68064   0.00003   0.00043  -0.00046  -0.00002   6.68061
   R18        6.68053  -0.00006  -0.00096  -0.00050  -0.00146   6.67907
   R19        6.20883   0.00000  -0.00068   0.00003  -0.00065   6.20818
   R20        6.65579  -0.00001  -0.00076  -0.00108  -0.00184   6.65395
   R21        6.01708  -0.00002  -0.00391  -0.00065  -0.00456   6.01252
   R22        6.90595   0.00006  -0.00076   0.00171   0.00094   6.90689
   R23        5.94850   0.00001   0.00129   0.00121   0.00250   5.95100
   R24        2.34956   0.00000   0.00003   0.00001   0.00003   2.34960
   R25        2.57178   0.00001  -0.00008   0.00001  -0.00007   2.57171
   R26        2.09466   0.00001   0.00000   0.00001   0.00001   2.09467
   R27        2.76535   0.00001  -0.00020   0.00016  -0.00004   2.76531
   R28        2.76861   0.00000  -0.00008   0.00008  -0.00001   2.76860
   R29        2.07665  -0.00001   0.00001  -0.00002   0.00000   2.07664
   R30        2.08243   0.00000  -0.00004   0.00003  -0.00004   2.08239
   R31        2.08247   0.00001   0.00003   0.00003   0.00006   2.08252
   R32        2.08122  -0.00001   0.00000   0.00001   0.00001   2.08124
   R33        2.07467  -0.00001   0.00000   0.00002   0.00001   2.07468
   R34        2.08337   0.00000   0.00002   0.00001   0.00003   2.08340
   R35        2.34891  -0.00001   0.00000  -0.00001  -0.00001   2.34890
   R36        2.57132   0.00002   0.00006   0.00001   0.00007   2.57139
   R37        2.09392   0.00000   0.00001   0.00001   0.00002   2.09394
   R38        2.76874   0.00000  -0.00003   0.00001  -0.00002   2.76872
   R39        2.76504   0.00002   0.00001   0.00002   0.00003   2.76507
   R40        2.08155   0.00000   0.00002   0.00000   0.00002   2.08157
   R41        2.08398   0.00000   0.00000   0.00000   0.00000   2.08398
   R42        2.07455   0.00000   0.00000   0.00001   0.00001   2.07455
   R43        2.08327   0.00000   0.00001   0.00000   0.00001   2.08328
   R44        2.08388  -0.00002   0.00000  -0.00005  -0.00005   2.08383
   R45        2.07677   0.00000  -0.00001   0.00000   0.00000   2.07677
   R46        2.34845  -0.00001   0.00000   0.00001   0.00001   2.34846
   R47        2.57162   0.00001  -0.00006   0.00004  -0.00003   2.57159
   R48        2.09360   0.00000   0.00000   0.00000   0.00000   2.09361
   R49        2.76497  -0.00001  -0.00003   0.00001  -0.00002   2.76495
   R50        2.76895  -0.00002   0.00000   0.00000   0.00000   2.76895
   R51        2.08441   0.00000   0.00001  -0.00001   0.00000   2.08440
   R52        2.08203   0.00000   0.00001   0.00003   0.00003   2.08207
   R53        2.07606   0.00000   0.00000   0.00000   0.00001   2.07607
   R54        2.08512   0.00001   0.00000   0.00000   0.00000   2.08511
   R55        2.07371   0.00001   0.00003   0.00002   0.00005   2.07376
   R56        2.07811   0.00000  -0.00001   0.00001   0.00000   2.07811
   R57        2.34811  -0.00003   0.00003  -0.00003  -0.00001   2.34810
   R58        2.57262   0.00001   0.00003   0.00003   0.00005   2.57267
   R59        2.09565   0.00000  -0.00006   0.00002  -0.00004   2.09561
   R60        2.76828   0.00002  -0.00004   0.00011   0.00007   2.76835
   R61        2.76483   0.00001   0.00018  -0.00004   0.00014   2.76497
   R62        2.07392   0.00002  -0.00007   0.00000  -0.00007   2.07385
   R63        2.08418   0.00000   0.00002  -0.00001   0.00001   2.08419
   R64        2.08056   0.00005   0.00024   0.00004   0.00028   2.08084
   R65        2.07662   0.00000   0.00005  -0.00004   0.00001   2.07662
   R66        2.08364   0.00004   0.00006   0.00003   0.00009   2.08374
   R67        2.08323   0.00000  -0.00004   0.00003   0.00000   2.08323
    A1        0.68272   0.00001  -0.00039  -0.00008  -0.00046   0.68225
    A2        0.95864   0.00001  -0.00051  -0.00001  -0.00052   0.95812
    A3        0.72697   0.00001   0.00010   0.00007   0.00017   0.72714
    A4        1.01959   0.00001   0.00001   0.00005   0.00005   1.01965
    A5        2.33202   0.00000   0.00086   0.00028   0.00114   2.33316
    A6        2.01040   0.00000   0.00072   0.00024   0.00096   2.01136
    A7        1.96386   0.00000   0.00044   0.00018   0.00062   1.96448
    A8        1.66842   0.00000   0.00043   0.00019   0.00061   1.66903
    A9        1.64233   0.00000   0.00070   0.00024   0.00094   1.64327
   A10        1.36018   0.00000   0.00066   0.00024   0.00091   1.36109
   A11        1.73882   0.00000  -0.00008   0.00002  -0.00006   1.73876
   A12        2.04166   0.00000   0.00018   0.00009   0.00028   2.04194
   A13        1.94371  -0.00001   0.00050   0.00014   0.00064   1.94435
   A14        2.02840  -0.00001   0.00088   0.00024   0.00112   2.02952
   A15        2.43773  -0.00001  -0.00001   0.00007   0.00007   2.43779
   A16        1.54687  -0.00001  -0.00174  -0.00048  -0.00223   1.54465
   A17        1.76351  -0.00001  -0.00193  -0.00053  -0.00246   1.76105
   A18        1.56624   0.00000  -0.00179  -0.00054  -0.00232   1.56392
   A19        1.70064   0.00001  -0.00183  -0.00029  -0.00212   1.69852
   A20        2.17498  -0.00001  -0.00185  -0.00065  -0.00250   2.17247
   A21        2.39810  -0.00001  -0.00227  -0.00055  -0.00283   2.39528
   A22        0.64806   0.00000  -0.00051  -0.00022  -0.00073   0.64732
   A23        0.66048   0.00000  -0.00019  -0.00003  -0.00022   0.66026
   A24        2.38610   0.00001   0.00062   0.00028   0.00090   2.38701
   A25        2.20714   0.00001   0.00061   0.00030   0.00092   2.20806
   A26        2.30418   0.00001   0.00043   0.00026   0.00069   2.30487
   A27        2.03736   0.00001   0.00042   0.00026   0.00068   2.03804
   A28        1.80043   0.00000   0.00052   0.00029   0.00081   1.80124
   A29        1.55766   0.00001   0.00059   0.00031   0.00091   1.55857
   A30        1.34532  -0.00001  -0.00002   0.00000  -0.00001   1.34531
   A31        1.64345  -0.00001   0.00009   0.00003   0.00012   1.64357
   A32        1.59185  -0.00001   0.00012   0.00002   0.00014   1.59198
   A33        1.74201  -0.00001   0.00033   0.00010   0.00043   1.74243
   A34        2.04099  -0.00001   0.00004   0.00005   0.00009   2.04108
   A35        1.79386  -0.00001  -0.00111  -0.00023  -0.00135   1.79251
   A36        1.88087  -0.00001  -0.00120  -0.00026  -0.00146   1.87941
   A37        1.55167   0.00000  -0.00108  -0.00030  -0.00138   1.55029
   A38        1.56769   0.00001  -0.00118  -0.00009  -0.00126   1.56642
   A39        2.25586   0.00000  -0.00108  -0.00038  -0.00145   2.25440
   A40        2.35317  -0.00001  -0.00160  -0.00011  -0.00171   2.35146
   A41        0.69261  -0.00001  -0.00044  -0.00016  -0.00060   0.69201
   A42        0.75062  -0.00001  -0.00079  -0.00022  -0.00101   0.74961
   A43        2.65793   0.00000  -0.00009   0.00007  -0.00002   2.65791
   A44        2.58977   0.00001   0.00002   0.00014   0.00016   2.58993
   A45        2.64522   0.00001   0.00009   0.00011   0.00020   2.64542
   A46        2.33930   0.00001   0.00017   0.00012   0.00028   2.33958
   A47        2.18255   0.00000  -0.00008   0.00012   0.00004   2.18260
   A48        1.94652   0.00001   0.00005   0.00015   0.00020   1.94672
   A49        1.10345  -0.00001  -0.00030  -0.00007  -0.00037   1.10308
   A50        1.46310  -0.00001  -0.00033  -0.00007  -0.00040   1.46270
   A51        1.56418  -0.00001  -0.00059  -0.00016  -0.00075   1.56344
   A52        1.79910  -0.00001  -0.00052  -0.00012  -0.00063   1.79846
   A53        1.78902  -0.00001  -0.00014   0.00000  -0.00014   1.78889
   A54        1.63879   0.00000  -0.00001   0.00014   0.00013   1.63892
   A55        1.59949   0.00000  -0.00015   0.00008  -0.00006   1.59943
   A56        1.21551   0.00000  -0.00016  -0.00001  -0.00016   1.21534
   A57        1.18694   0.00001  -0.00047   0.00013  -0.00034   1.18661
   A58        1.92049   0.00000  -0.00011  -0.00006  -0.00017   1.92032
   A59        1.97181  -0.00001  -0.00089   0.00014  -0.00075   1.97106
   A60        0.84938  -0.00002  -0.00031  -0.00043  -0.00075   0.84864
   A61        0.78841  -0.00003  -0.00073  -0.00062  -0.00136   0.78706
   A62        2.61032  -0.00001  -0.00001  -0.00036  -0.00037   2.60994
   A63        2.76507   0.00000   0.00004  -0.00020  -0.00016   2.76492
   A64        2.59636   0.00001   0.00002   0.00030   0.00032   2.59668
   A65        2.38645   0.00000  -0.00006  -0.00013  -0.00019   2.38626
   A66        2.18799   0.00000   0.00008   0.00000   0.00008   2.18807
   A67        0.86687  -0.00002  -0.00034  -0.00040  -0.00075   0.86612
   A68        1.24299  -0.00001  -0.00034  -0.00041  -0.00076   1.24224
   A69        1.42520  -0.00002  -0.00065  -0.00059  -0.00124   1.42396
   A70        1.69636  -0.00002  -0.00061  -0.00056  -0.00118   1.69519
   A71        1.52919  -0.00001  -0.00007  -0.00021  -0.00029   1.52890
   A72        1.64406   0.00002   0.00032   0.00072   0.00104   1.64510
   A73        1.50082   0.00001   0.00020   0.00061   0.00080   1.50161
   A74        1.08105   0.00001   0.00016   0.00050   0.00065   1.08170
   A75        0.97902   0.00002  -0.00017   0.00048   0.00030   0.97932
   A76        1.75037   0.00001   0.00019   0.00037   0.00055   1.75092
   A77        1.74467   0.00000  -0.00067   0.00045  -0.00023   1.74444
   A78        1.98982   0.00001   0.00042   0.00024   0.00067   1.99049
   A79        1.92645   0.00002   0.00037   0.00030   0.00068   1.92713
   A80        2.20139   0.00002   0.00023   0.00030   0.00054   2.20193
   A81        2.05421   0.00003   0.00022   0.00032   0.00054   2.05475
   A82        1.53723   0.00002   0.00025   0.00029   0.00055   1.53778
   A83        1.36762   0.00002   0.00040   0.00034   0.00075   1.36837
   A84        1.20009  -0.00002   0.00066   0.00014   0.00081   1.20090
   A85        1.38516  -0.00002   0.00064   0.00014   0.00079   1.38595
   A86        1.21741  -0.00002   0.00046   0.00008   0.00054   1.21794
   A87        1.32259  -0.00001   0.00048   0.00012   0.00060   1.32319
   A88        1.81214  -0.00002   0.00062   0.00017   0.00079   1.81293
   A89        2.22710   0.00000  -0.00114  -0.00025  -0.00139   2.22571
   A90        2.28697  -0.00001  -0.00078  -0.00013  -0.00090   2.28608
   A91        1.90591  -0.00001  -0.00051  -0.00013  -0.00063   1.90528
   A92        1.82619   0.00000  -0.00040   0.00011  -0.00028   1.82591
   A93        2.59930  -0.00001  -0.00022  -0.00009  -0.00030   2.59900
   A94        2.54485  -0.00001  -0.00034   0.00038   0.00005   2.54490
   A95        1.90871   0.00001   0.00070   0.00029   0.00099   1.90971
   A96        1.98048   0.00002   0.00077   0.00040   0.00117   1.98165
   A97        2.35366   0.00002   0.00069   0.00040   0.00110   2.35477
   A98        2.30128   0.00003   0.00064   0.00042   0.00107   2.30235
   A99        1.64887   0.00002   0.00066   0.00039   0.00106   1.64993
   A100       1.55205   0.00002   0.00086   0.00045   0.00131   1.55336
   A101       0.89298  -0.00002   0.00048   0.00012   0.00059   0.89357
   A102       1.06324  -0.00001   0.00050   0.00012   0.00061   1.06385
   A103       0.93306  -0.00001   0.00035   0.00006   0.00041   0.93347
   A104       1.09345   0.00000   0.00040   0.00011   0.00051   1.09396
   A105       1.49007  -0.00002   0.00047   0.00014   0.00062   1.49069
   A106       2.38920  -0.00001  -0.00084  -0.00008  -0.00092   2.38829
   A107       2.28608  -0.00001  -0.00043   0.00004  -0.00038   2.28570
   A108       1.85992  -0.00002  -0.00040  -0.00003  -0.00043   1.85950
   A109       1.68910  -0.00001  -0.00035   0.00015  -0.00020   1.68890
   A110       2.44304  -0.00001   0.00022   0.00013   0.00035   2.44339
   A111       2.28374  -0.00001  -0.00013   0.00048   0.00035   2.28409
   A112       0.71356   0.00000   0.00004   0.00002   0.00006   0.71362
   A113       1.00470   0.00000   0.00005   0.00002   0.00007   1.00477
   A114       0.69489   0.00001   0.00014   0.00004   0.00018   0.69507
   A115       0.98239   0.00000   0.00021   0.00004   0.00025   0.98264
   A116       1.80276   0.00000   0.00060   0.00021   0.00081   1.80357
   A117       1.42260   0.00000   0.00053   0.00017   0.00070   1.42330
   A118       1.18770   0.00001   0.00068   0.00025   0.00092   1.18863
   A119       0.91402   0.00001   0.00059   0.00020   0.00079   0.91482
   A120       1.25019   0.00000   0.00031   0.00007   0.00038   1.25057
   A121       1.98329  -0.00001   0.00003  -0.00024  -0.00022   1.98307
   A122       2.00546   0.00000   0.00042  -0.00008   0.00033   2.00579
   A123       2.34010   0.00000   0.00056   0.00008   0.00064   2.34074
   A124       2.25047  -0.00002   0.00095   0.00001   0.00095   2.25143
   A125       1.64109   0.00000   0.00047   0.00011   0.00058   1.64167
   A126       1.50713   0.00000   0.00121   0.00003   0.00124   1.50837
   A127       0.65538   0.00000   0.00000  -0.00001  -0.00001   0.65537
   A128       0.66073   0.00000   0.00006  -0.00001   0.00005   0.66078
   A129       2.16273   0.00000   0.00083   0.00033   0.00116   2.16389
   A130       1.79198   0.00000   0.00071   0.00026   0.00097   1.79295
   A131       1.49574   0.00001   0.00091   0.00035   0.00126   1.49701
   A132       1.20342   0.00001   0.00087   0.00031   0.00118   1.20460
   A133       1.64317   0.00000   0.00037   0.00010   0.00047   1.64364
   A134       1.83587  -0.00001  -0.00063  -0.00054  -0.00117   1.83470
   A135       2.01593  -0.00001  -0.00029  -0.00041  -0.00070   2.01522
   A136       2.43705  -0.00001  -0.00019  -0.00030  -0.00049   2.43656
   A137       2.50643  -0.00002   0.00045  -0.00026   0.00019   2.50662
   A138       1.75661  -0.00001  -0.00008  -0.00017  -0.00025   1.75636
   A139       1.72097   0.00000   0.00089  -0.00025   0.00064   1.72161
   A140       0.70489   0.00000   0.00003   0.00001   0.00004   0.70494
   A141       0.83394   0.00000  -0.00017  -0.00004  -0.00021   0.83373
   A142       2.49815   0.00000   0.00045   0.00013   0.00058   2.49874
   A143       2.11828   0.00000   0.00043   0.00012   0.00056   2.11884
   A144       1.89522   0.00001   0.00078   0.00029   0.00107   1.89630
   A145       1.61006   0.00001   0.00075   0.00026   0.00101   1.61107
   A146       1.84164   0.00000   0.00009  -0.00005   0.00004   1.84168
   A147       1.40971  -0.00001  -0.00066  -0.00055  -0.00122   1.40850
   A148       1.63099  -0.00001  -0.00055  -0.00052  -0.00107   1.62991
   A149       2.05886  -0.00001  -0.00051  -0.00044  -0.00095   2.05792
   A150       2.23571  -0.00001  -0.00020  -0.00051  -0.00071   2.23500
   A151       1.46141  -0.00001  -0.00049  -0.00038  -0.00088   1.46053
   A152       1.52656  -0.00001   0.00042  -0.00055  -0.00014   1.52643
   A153       0.76340   0.00001   0.00008   0.00003   0.00012   0.76351
   A154       0.76527   0.00001  -0.00018  -0.00002  -0.00020   0.76507
   A155       2.80704   0.00001   0.00060   0.00020   0.00080   2.80784
   A156       2.42562   0.00000   0.00052   0.00016   0.00067   2.42630
   A157       2.14920   0.00001   0.00095   0.00036   0.00131   2.15050
   A158       1.85578   0.00001   0.00092   0.00032   0.00124   1.85702
   A159       2.15429   0.00000   0.00000  -0.00010  -0.00010   2.15419
   A160       1.27285  -0.00002  -0.00115  -0.00073  -0.00188   1.27096
   A161       1.58190  -0.00002  -0.00109  -0.00071  -0.00180   1.58010
   A162       1.98213  -0.00001  -0.00100  -0.00062  -0.00162   1.98051
   A163       2.24132  -0.00001  -0.00084  -0.00067  -0.00151   2.23982
   A164       1.53654  -0.00002  -0.00101  -0.00060  -0.00161   1.53494
   A165       1.68072  -0.00002  -0.00010  -0.00077  -0.00087   1.67985
   A166       2.14598   0.00000   0.00112   0.00048   0.00159   2.14758
   A167       1.85103   0.00000   0.00098   0.00038   0.00136   1.85238
   A168       1.46414   0.00000   0.00107   0.00041   0.00148   1.46562
   A169       1.18609   0.00000   0.00106   0.00036   0.00142   1.18751
   A170       1.86477   0.00000   0.00063   0.00022   0.00085   1.86561
   A171       2.03518  -0.00002  -0.00113  -0.00072  -0.00185   2.03333
   A172       2.32689  -0.00001  -0.00073  -0.00058  -0.00131   2.32559
   A173       2.74427   0.00000  -0.00084  -0.00056  -0.00140   2.74287
   A174       2.14534  -0.00001  -0.00019  -0.00025  -0.00044   2.14490
   A175       2.12837   0.00000   0.00100  -0.00023   0.00077   2.12914
   A176       2.24949   0.00000   0.00150   0.00059   0.00208   2.25158
   A177       2.03460   0.00000   0.00136   0.00048   0.00184   2.03644
   A178       1.62397   0.00000   0.00141   0.00048   0.00189   1.62585
   A179       1.37527   0.00000   0.00139   0.00042   0.00181   1.37708
   A180       2.12832   0.00000   0.00091   0.00029   0.00120   2.12952
   A181       1.95838  -0.00002  -0.00179  -0.00087  -0.00266   1.95572
   A182       2.32353  -0.00001  -0.00158  -0.00080  -0.00239   2.32114
   A183       2.64276   0.00000  -0.00169  -0.00075  -0.00244   2.64032
   A184       2.28578  -0.00001  -0.00091  -0.00052  -0.00143   2.28435
   A185       2.34979   0.00000   0.00052  -0.00047   0.00005   2.34983
   A186       0.69116   0.00000   0.00002   0.00004   0.00005   0.69122
   A187       0.98192   0.00000   0.00002   0.00007   0.00010   0.98202
   A188       0.69964   0.00000   0.00005   0.00004   0.00009   0.69973
   A189       2.07348   0.00002   0.00024   0.00027   0.00052   2.07400
   A190       1.70635   0.00001   0.00020   0.00023   0.00043   1.70677
   A191       1.36573   0.00001   0.00004   0.00016   0.00020   1.36592
   A192       1.06461   0.00000  -0.00003   0.00015   0.00012   1.06472
   A193       1.61973   0.00002   0.00024   0.00020   0.00045   1.62017
   A194       1.40113   0.00002  -0.00038   0.00041   0.00003   1.40116
   A195       0.66682   0.00000  -0.00007   0.00003  -0.00004   0.66678
   A196       2.23872   0.00002   0.00063   0.00036   0.00100   2.23971
   A197       1.84347   0.00001   0.00057   0.00033   0.00090   1.84437
   A198       1.60580   0.00001   0.00034   0.00027   0.00060   1.60641
   A199       1.29171   0.00000   0.00034   0.00019   0.00053   1.29224
   A200       1.61490   0.00002   0.00058   0.00034   0.00092   1.61582
   A201       1.34116   0.00002   0.00016   0.00050   0.00067   1.34183
   A202       0.71079   0.00000  -0.00003   0.00006   0.00003   0.71082
   A203       2.63471   0.00002   0.00077   0.00040   0.00117   2.63588
   A204       2.24412   0.00002   0.00067   0.00037   0.00104   2.24516
   A205       2.01595   0.00000   0.00026   0.00027   0.00054   2.01649
   A206       1.70194   0.00000   0.00026   0.00021   0.00047   1.70241
   A207       1.95707   0.00002   0.00077   0.00043   0.00120   1.95827
   A208       1.66844   0.00002   0.00054   0.00055   0.00110   1.66954
   A209       0.83478   0.00000  -0.00018   0.00003  -0.00016   0.83463
   A210       2.70277   0.00002   0.00083   0.00028   0.00111   2.70387
   A211       2.38280   0.00002   0.00077   0.00035   0.00112   2.38391
   A212       2.26127   0.00001   0.00034   0.00032   0.00066   2.26193
   A213       1.95027   0.00000   0.00034   0.00022   0.00056   1.95084
   A214       2.01504   0.00002   0.00075   0.00042   0.00117   2.01622
   A215       1.73175   0.00002   0.00074   0.00048   0.00122   1.73297
   A216       1.93192   0.00002   0.00090   0.00034   0.00124   1.93316
   A217       1.55843   0.00002   0.00087   0.00033   0.00120   1.55963
   A218       1.46427   0.00001   0.00069   0.00032   0.00101   1.46528
   A219       1.18007  -0.00001   0.00076   0.00018   0.00094   1.18101
   A220       1.24656   0.00002   0.00078   0.00037   0.00115   1.24771
   A221       0.95890   0.00002   0.00051   0.00049   0.00100   0.95989
   A222       0.71508   0.00001   0.00018   0.00012   0.00030   0.71537
   A223       1.00891   0.00002   0.00027   0.00013   0.00040   1.00931
   A224       0.69922   0.00000   0.00008  -0.00008   0.00000   0.69922
   A225       0.98800   0.00000   0.00019  -0.00016   0.00003   0.98803
   A226       0.66111   0.00001   0.00024   0.00005   0.00029   0.66140
   A227       0.66662  -0.00001  -0.00007  -0.00012  -0.00019   0.66643
   A228       0.70830   0.00000   0.00004  -0.00006  -0.00001   0.70829
   A229       0.84081  -0.00001  -0.00053   0.00005  -0.00048   0.84033
   A230       0.77815   0.00000   0.00033  -0.00014   0.00019   0.77834
   A231       0.78588  -0.00002  -0.00041   0.00000  -0.00042   0.78546
   A232       1.59450  -0.00002  -0.00109  -0.00016  -0.00125   1.59325
   A233       1.86188  -0.00001   0.00055  -0.00001   0.00054   1.86241
   A234       2.19037   0.00000   0.00015  -0.00012   0.00003   2.19039
   A235       2.12913   0.00001  -0.00008   0.00012   0.00004   2.12917
   A236       1.96336  -0.00001  -0.00009   0.00001  -0.00008   1.96329
   A237       2.12208   0.00002   0.00017   0.00012   0.00030   2.12238
   A238       2.12570   0.00002  -0.00008   0.00004  -0.00004   2.12567
   A239       2.03409  -0.00004   0.00000  -0.00012  -0.00012   2.03397
   A240       1.85022  -0.00003   0.00113  -0.00074   0.00039   1.85062
   A241       2.52271   0.00002  -0.00084   0.00079  -0.00006   2.52265
   A242       1.91328  -0.00002   0.00003   0.00015   0.00019   1.91347
   A243       1.91803  -0.00001   0.00007  -0.00008  -0.00001   1.91802
   A244       1.91670   0.00002  -0.00014  -0.00024  -0.00041   1.91629
   A245       1.90887   0.00002   0.00006   0.00014   0.00019   1.90906
   A246       1.90841   0.00001  -0.00012   0.00004  -0.00008   1.90833
   A247       1.89844  -0.00001   0.00011  -0.00001   0.00011   1.89855
   A248       1.28965   0.00001  -0.00302  -0.00053  -0.00356   1.28609
   A249       1.90557   0.00001  -0.00010   0.00002  -0.00009   1.90548
   A250       1.90900  -0.00002   0.00010   0.00007   0.00017   1.90917
   A251       1.92782   0.00000   0.00013  -0.00005   0.00008   1.92790
   A252       1.91025   0.00002  -0.00016   0.00002  -0.00014   1.91011
   A253       1.89771   0.00000   0.00012   0.00002   0.00014   1.89785
   A254       1.91336  -0.00001  -0.00010  -0.00007  -0.00017   1.91319
   A255       1.71989   0.00001   0.00025   0.00015   0.00040   1.72029
   A256       1.77234  -0.00002  -0.00057  -0.00031  -0.00088   1.77146
   A257       2.19060   0.00000   0.00004  -0.00001   0.00004   2.19063
   A258       2.12986   0.00000  -0.00003   0.00003   0.00000   2.12986
   A259       1.96253   0.00000  -0.00001  -0.00003  -0.00004   1.96249
   A260       2.12369   0.00000   0.00006   0.00000   0.00007   2.12375
   A261       2.12424   0.00000   0.00003  -0.00003  -0.00001   2.12423
   A262       2.03508   0.00000  -0.00010   0.00003  -0.00007   2.03501
   A263       1.33638   0.00003   0.00056   0.00015   0.00070   1.33708
   A264       1.89884   0.00001   0.00002  -0.00001   0.00001   1.89886
   A265       1.93226   0.00000  -0.00003   0.00003  -0.00001   1.93226
   A266       1.91009   0.00001   0.00004  -0.00002   0.00003   1.91012
   A267       1.89846   0.00000  -0.00002  -0.00001  -0.00003   1.89843
   A268       1.91256   0.00000   0.00003   0.00001   0.00004   1.91259
   A269       1.91148  -0.00002  -0.00003   0.00000  -0.00004   1.91144
   A270       2.66278   0.00000   0.00087   0.00022   0.00110   2.66387
   A271       1.70100   0.00000  -0.00099  -0.00023  -0.00122   1.69978
   A272       1.92449   0.00000   0.00011   0.00004   0.00015   1.92464
   A273       1.91310   0.00001  -0.00001  -0.00006  -0.00007   1.91302
   A274       1.91372   0.00000  -0.00001  -0.00001  -0.00002   1.91369
   A275       1.89452  -0.00001  -0.00017   0.00002  -0.00015   1.89437
   A276       1.91097   0.00000   0.00006   0.00000   0.00006   1.91103
   A277       1.90685   0.00000   0.00003   0.00000   0.00004   1.90688
   A278       1.80849   0.00003   0.00004   0.00003   0.00007   1.80857
   A279       1.75366  -0.00003  -0.00032  -0.00019  -0.00051   1.75315
   A280       2.18927   0.00001   0.00001  -0.00004  -0.00003   2.18924
   A281       2.13069   0.00000   0.00002   0.00002   0.00004   2.13073
   A282       1.96315  -0.00001  -0.00003   0.00002  -0.00001   1.96314
   A283       2.12276  -0.00002  -0.00009  -0.00003  -0.00012   2.12264
   A284       2.11523   0.00000   0.00009  -0.00004   0.00005   2.11528
   A285       2.04215   0.00001   0.00002   0.00009   0.00011   2.04226
   A286       2.69689   0.00002   0.00061   0.00043   0.00104   2.69793
   A287       1.66255  -0.00002  -0.00070  -0.00038  -0.00108   1.66147
   A288       1.92591   0.00000   0.00013   0.00004   0.00017   1.92608
   A289       1.91539   0.00000  -0.00011   0.00007  -0.00004   1.91535
   A290       1.91226   0.00000   0.00001  -0.00006  -0.00004   1.91222
   A291       1.89111   0.00001  -0.00009   0.00005  -0.00004   1.89107
   A292       1.91258   0.00000   0.00008  -0.00003   0.00005   1.91262
   A293       1.90638  -0.00001  -0.00003  -0.00008  -0.00010   1.90628
   A294       1.34502   0.00004   0.00015  -0.00042  -0.00027   1.34475
   A295       1.15629  -0.00001  -0.00009   0.00032   0.00023   1.15652
   A296       1.93321   0.00000   0.00006   0.00001   0.00006   1.93327
   A297       1.90635   0.00002  -0.00001   0.00001   0.00001   1.90635
   A298       1.90099  -0.00001  -0.00006   0.00001  -0.00003   1.90096
   A299       1.90950  -0.00002  -0.00003   0.00003  -0.00001   1.90949
   A300       1.89922   0.00000   0.00005  -0.00002   0.00003   1.89925
   A301       1.91450   0.00001   0.00000  -0.00004  -0.00006   1.91444
   A302       1.72390  -0.00007  -0.00005  -0.00100  -0.00104   1.72286
   A303       1.76284  -0.00002  -0.00020   0.00105   0.00084   1.76368
   A304       2.19339  -0.00003   0.00007  -0.00007  -0.00001   2.19338
   A305       2.12958   0.00003   0.00014  -0.00005   0.00010   2.12968
   A306       1.95995   0.00000  -0.00021   0.00012  -0.00009   1.95987
   A307       2.12554   0.00002   0.00040   0.00004   0.00046   2.12600
   A308       2.12115  -0.00002  -0.00019   0.00001  -0.00017   2.12098
   A309       2.03599   0.00000  -0.00025  -0.00005  -0.00030   2.03569
   A310       1.39176  -0.00005   0.00188  -0.00074   0.00115   1.39291
   A311       2.96458   0.00001  -0.00276   0.00057  -0.00220   2.96238
   A312       1.90826  -0.00004   0.00017  -0.00014   0.00002   1.90828
   A313       1.92857   0.00000  -0.00016  -0.00007  -0.00025   1.92832
   A314       1.90578  -0.00002  -0.00007  -0.00003  -0.00010   1.90568
   A315       1.91249   0.00004   0.00064   0.00012   0.00076   1.91326
   A316       1.91279   0.00000   0.00010   0.00004   0.00014   1.91294
   A317       1.89585   0.00001  -0.00068   0.00009  -0.00058   1.89527
   A318       1.70695  -0.00002  -0.00272   0.00099  -0.00174   1.70522
   A319       1.91366   0.00000  -0.00013   0.00010  -0.00003   1.91363
   A320       1.91568  -0.00005  -0.00038  -0.00024  -0.00063   1.91505
   A321       1.92455   0.00002   0.00018   0.00011   0.00030   1.92485
   A322       1.90438   0.00001  -0.00018   0.00010  -0.00008   1.90430
   A323       1.91131   0.00001   0.00035  -0.00007   0.00028   1.91160
   A324       1.89402   0.00001   0.00016   0.00000   0.00016   1.89418
   A325       2.92250   0.00001  -0.00007   0.00017   0.00010   2.92260
   A326       3.34297   0.00001  -0.00113  -0.00005  -0.00118   3.34179
   A327       3.06082   0.00002  -0.00117  -0.00005  -0.00121   3.05961
   A328       3.20301   0.00000  -0.00312  -0.00061  -0.00373   3.19928
   A329       3.24786   0.00002   0.00052   0.00014   0.00067   3.24852
   A330       3.25452   0.00002   0.00012  -0.00040  -0.00028   3.25423
   A331       3.61827  -0.00001  -0.00237   0.00092  -0.00145   3.61681
   A332       3.21978  -0.00001  -0.00017  -0.00040  -0.00057   3.21920
   A333       3.03436   0.00000  -0.00105  -0.00067  -0.00173   3.03263
   A334       2.97297   0.00000  -0.00131  -0.00072  -0.00204   2.97093
   A335       3.23263  -0.00001  -0.00111  -0.00053  -0.00164   3.23098
   A336       3.08225   0.00000   0.00012   0.00004   0.00016   3.08242
   A337       3.10474   0.00000   0.00002   0.00013   0.00014   3.10489
   A338       3.03446   0.00000   0.00052   0.00011   0.00063   3.03509
    D1        2.76045   0.00000  -0.00003  -0.00033  -0.00036   2.76009
    D2       -1.35720   0.00000  -0.00039  -0.00027  -0.00066  -1.35786
    D3        2.79157  -0.00002   0.00052  -0.00072  -0.00020   2.79136
    D4       -1.32608  -0.00002   0.00015  -0.00065  -0.00051  -1.32659
    D5        1.65957   0.00002   0.00055  -0.00005   0.00050   1.66007
    D6       -2.45808   0.00002   0.00019   0.00001   0.00020  -2.45788
    D7        1.83889   0.00002   0.00130   0.00008   0.00138   1.84027
    D8       -2.27876   0.00002   0.00093   0.00014   0.00108  -2.27769
    D9        0.31632  -0.00001   0.00079  -0.00023   0.00056   0.31689
   D10        2.48186  -0.00001   0.00043  -0.00017   0.00026   2.48212
   D11        0.03851  -0.00001   0.00073  -0.00030   0.00043   0.03894
   D12        2.20404  -0.00001   0.00036  -0.00024   0.00013   2.20417
   D13       -0.42821  -0.00001   0.00069  -0.00031   0.00037  -0.42784
   D14        1.73733  -0.00001   0.00032  -0.00025   0.00006   1.73739
   D15       -0.54552  -0.00001   0.00082  -0.00029   0.00053  -0.54499
   D16        1.62001  -0.00001   0.00045  -0.00023   0.00022   1.62024
   D17        0.22033   0.00000   0.00095  -0.00024   0.00071   0.22104
   D18        2.38587   0.00000   0.00058  -0.00018   0.00040   2.38627
   D19        0.15895   0.00000   0.00069  -0.00029   0.00040   0.15935
   D20        2.32448   0.00000   0.00033  -0.00023   0.00009   2.32457
   D21        2.39197   0.00000   0.00227   0.00032   0.00259   2.39455
   D22       -1.72568   0.00000   0.00190   0.00038   0.00228  -1.72340
   D23        2.14617   0.00000   0.00253   0.00036   0.00288   2.14905
   D24       -1.97148   0.00000   0.00216   0.00042   0.00258  -1.96891
   D25        1.70446   0.00000   0.00239   0.00030   0.00269   1.70714
   D26       -2.41319   0.00000   0.00202   0.00036   0.00238  -2.41081
   D27        1.39688   0.00000   0.00238   0.00026   0.00264   1.39952
   D28       -2.72077   0.00000   0.00202   0.00032   0.00233  -2.71843
   D29        2.35361  -0.00001   0.00306   0.00054   0.00360   2.35721
   D30       -1.76404  -0.00001   0.00269   0.00060   0.00330  -1.76074
   D31       -1.81435   0.00001   0.00220   0.00051   0.00271  -1.81165
   D32        0.35118   0.00001   0.00183   0.00057   0.00240   0.35358
   D33       -2.14680   0.00001   0.00205   0.00046   0.00251  -2.14429
   D34        0.01873   0.00001   0.00169   0.00052   0.00220   0.02093
   D35       -2.52926   0.00000   0.00199   0.00039   0.00238  -2.52687
   D36       -0.36372   0.00000   0.00163   0.00045   0.00208  -0.36164
   D37       -2.81402   0.00000   0.00200   0.00043   0.00244  -2.81158
   D38       -0.64849   0.00000   0.00164   0.00049   0.00213  -0.64635
   D39       -2.14211   0.00002   0.00196   0.00040   0.00236  -2.13975
   D40        0.02342   0.00002   0.00160   0.00046   0.00205   0.02548
   D41       -2.38904   0.00001   0.00139   0.00090   0.00230  -2.38674
   D42       -0.22350   0.00001   0.00103   0.00096   0.00199  -0.22151
   D43        1.25463   0.00000  -0.00120   0.00036  -0.00084   1.25379
   D44       -1.96589   0.00000   0.00259   0.00228   0.00486  -1.96103
   D45        2.44363   0.00001  -0.00034   0.00068   0.00034   2.44396
   D46       -0.77690   0.00002   0.00344   0.00260   0.00604  -0.77086
   D47        2.92703   0.00002   0.00034   0.00084   0.00119   2.92821
   D48       -0.29350   0.00002   0.00412   0.00276   0.00689  -0.28661
   D49        2.83545   0.00002   0.00031   0.00082   0.00112   2.83657
   D50       -0.38508   0.00002   0.00410   0.00274   0.00683  -0.37825
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   D52       -1.18586   0.00000   0.00396   0.00247   0.00643  -1.17943
   D53        1.16324  -0.00001   0.00019   0.00038   0.00057   1.16381
   D54       -2.05728  -0.00001   0.00397   0.00230   0.00627  -2.05101
   D55        1.02612  -0.00002  -0.00004   0.00040   0.00036   1.02648
   D56       -2.19440  -0.00001   0.00374   0.00232   0.00606  -2.18834
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   D58       -1.20516   0.00000   0.00384   0.00247   0.00631  -1.19885
   D59        1.82573   0.00000  -0.00033   0.00048   0.00015   1.82588
   D60       -1.39480   0.00000   0.00346   0.00240   0.00585  -1.38895
   D61       -2.29606  -0.00001   0.00131   0.00107   0.00238  -2.29368
   D62        0.76660   0.00000   0.00509   0.00300   0.00808   0.77468
   D63       -2.42989  -0.00001   0.00102   0.00097   0.00199  -2.42789
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   D65       -2.83211  -0.00001   0.00096   0.00093   0.00189  -2.83023
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   D67       -3.00974  -0.00001   0.00101   0.00092   0.00193  -3.00781
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   D69       -2.15238  -0.00001   0.00076   0.00094   0.00169  -2.15069
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   D71       -0.19411   0.00001   0.00166   0.00133   0.00298  -0.19112
   D72        2.86855   0.00002   0.00544   0.00325   0.00869   2.87724
   D73       -0.58789   0.00001   0.00161   0.00130   0.00291  -0.58499
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   D75       -0.78135   0.00000   0.00153   0.00129   0.00282  -0.77853
   D76        2.28131   0.00001   0.00531   0.00321   0.00852   2.28983
   D77       -1.11711  -0.00001   0.00152   0.00121   0.00273  -1.11438
   D78        1.94555   0.00000   0.00530   0.00313   0.00843   1.95398
   D79       -0.85132   0.00001   0.00153   0.00132   0.00285  -0.84846
   D80        2.21134   0.00002   0.00532   0.00324   0.00856   2.21990
   D81       -1.15804   0.00001   0.00127   0.00146   0.00273  -1.15531
   D82        1.90462   0.00002   0.00505   0.00339   0.00843   1.91306
   D83       -1.52942   0.00001  -0.00152  -0.00042  -0.00194  -1.53135
   D84       -2.60725   0.00000  -0.00107  -0.00034  -0.00140  -2.60865
   D85       -2.93687  -0.00001  -0.00092  -0.00078  -0.00170  -2.93856
   D86        0.72999   0.00000  -0.00068  -0.00028  -0.00096   0.72903
   D87        0.31009   0.00000  -0.00082  -0.00038  -0.00120   0.30889
   D88       -0.06602   0.00000  -0.00095  -0.00042  -0.00137  -0.06740
   D89       -0.39709  -0.00001  -0.00094  -0.00047  -0.00142  -0.39850
   D90        0.18725  -0.00001  -0.00077  -0.00041  -0.00117   0.18608
   D91       -0.04829  -0.00001  -0.00098  -0.00044  -0.00142  -0.04971
   D92        2.39782  -0.00001   0.00014  -0.00007   0.00007   2.39790
   D93        2.05006  -0.00001   0.00012  -0.00009   0.00003   2.05009
   D94        1.65674  -0.00001   0.00028  -0.00007   0.00021   1.65694
   D95        1.36948  -0.00001   0.00030  -0.00010   0.00020   1.36968
   D96        2.05259  -0.00001  -0.00003  -0.00010  -0.00013   2.05246
   D97       -1.95371   0.00000   0.00103   0.00041   0.00145  -1.95226
   D98       -2.46116   0.00000   0.00143   0.00047   0.00190  -2.45926
   D99       -2.69003  -0.00001   0.00081   0.00027   0.00108  -2.68894
   D100      -3.00789  -0.00002   0.00082   0.00013   0.00096  -3.00694
   D101      -2.88902   0.00001   0.00253   0.00090   0.00343  -2.88558
   D102       2.86135   0.00002   0.00250   0.00082   0.00330   2.86466
   D103      -2.88463   0.00001   0.00031   0.00006   0.00037  -2.88425
   D104       1.21135   0.00001   0.00045   0.00007   0.00052   1.21187
   D105       2.83350   0.00000  -0.00024  -0.00017  -0.00041   2.83308
   D106       0.64629   0.00000  -0.00011  -0.00016  -0.00027   0.64602
   D107       2.34056  -0.00001  -0.00028  -0.00024  -0.00051   2.34005
   D108       0.15335  -0.00001  -0.00015  -0.00023  -0.00037   0.15298
   D109       1.77297  -0.00001  -0.00005  -0.00002  -0.00008   1.77289
   D110      -0.41424  -0.00001   0.00008  -0.00001   0.00007  -0.41417
   D111       2.61077  -0.00001   0.00007  -0.00017  -0.00010   2.61067
   D112       0.42356  -0.00001   0.00020  -0.00015   0.00004   0.42361
   D113       2.27439  -0.00001  -0.00026  -0.00024  -0.00051   2.27388
   D114       0.08718  -0.00002  -0.00013  -0.00023  -0.00036   0.08682
   D115      -1.61042   0.00000  -0.00004   0.00004   0.00000  -1.61042
   D116       2.48556   0.00000   0.00010   0.00005   0.00015   2.48570
   D117      -1.77607   0.00001   0.00013   0.00010   0.00023  -1.77584
   D118       2.31991   0.00001   0.00026   0.00011   0.00037   2.32028
   D119      -2.73477   0.00000   0.00004   0.00007   0.00010  -2.73467
   D120       1.36121   0.00000   0.00017   0.00008   0.00025   1.36146
   D121      -2.69932   0.00000   0.00043   0.00014   0.00057  -2.69874
   D122       1.39666   0.00000   0.00057   0.00015   0.00072   1.39738
   D123       1.34706   0.00001  -0.00095  -0.00043  -0.00138   1.34568
   D124      -0.84015   0.00001  -0.00081  -0.00042  -0.00124  -0.84138
   D125       1.31418   0.00001  -0.00081  -0.00034  -0.00116   1.31302
   D126      -0.87303   0.00001  -0.00068  -0.00033  -0.00101  -0.87404
   D127       1.66851   0.00001  -0.00079  -0.00028  -0.00107   1.66744
   D128      -0.51869   0.00001  -0.00065  -0.00027  -0.00092  -0.51962
   D129       1.79178   0.00002  -0.00098  -0.00029  -0.00128   1.79050
   D130      -0.39543   0.00002  -0.00085  -0.00028  -0.00113  -0.39656
   D131       0.91184   0.00001  -0.00064  -0.00032  -0.00096   0.91087
   D132      -1.27537   0.00001  -0.00051  -0.00031  -0.00082  -1.27619
   D133      -0.92310  -0.00001  -0.00175  -0.00078  -0.00253  -0.92562
   D134      -3.11030  -0.00001  -0.00162  -0.00077  -0.00238  -3.11269
   D135      -0.48962  -0.00001  -0.00166  -0.00078  -0.00244  -0.49206
   D136      -2.67682  -0.00001  -0.00153  -0.00077  -0.00230  -2.67912
   D137      -0.16117   0.00000  -0.00168  -0.00087  -0.00255  -0.16372
   D138      -2.34837   0.00000  -0.00155  -0.00086  -0.00240  -2.35078
   D139       0.24263   0.00000  -0.00125  -0.00078  -0.00203   0.24059
   D140      -1.94458   0.00000  -0.00112  -0.00077  -0.00189  -1.94647
   D141      -0.29080  -0.00001  -0.00137  -0.00069  -0.00205  -0.29285
   D142      -2.47800  -0.00001  -0.00123  -0.00068  -0.00191  -2.47991
   D143      -0.03368  -0.00001  -0.00080  -0.00084  -0.00164  -0.03532
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   D146      -2.71439   0.00001   0.00049   0.00015   0.00064  -2.71374
   D147      -2.40237   0.00001  -0.00027   0.00013  -0.00014  -2.40251
   D148       3.02135  -0.00001   0.00033  -0.00001   0.00032   3.02167
   D149       2.64526  -0.00001   0.00026  -0.00010   0.00016   2.64543
   D150       1.52423   0.00000  -0.00016  -0.00008  -0.00023   1.52400
   D151       2.62452   0.00000   0.00004  -0.00003   0.00000   2.62452
   D152       2.99790   0.00000   0.00036   0.00002   0.00038   2.99827
   D153       1.22271   0.00000  -0.00182  -0.00090  -0.00272   1.21998
   D154       1.27219   0.00000  -0.00115  -0.00055  -0.00170   1.27049
   D155       1.65861   0.00001  -0.00082  -0.00036  -0.00118   1.65743
   D156       1.72990   0.00001  -0.00080  -0.00030  -0.00110   1.72880
   D157       0.91558   0.00001  -0.00084  -0.00043  -0.00127   0.91431
   D158      -0.98769  -0.00001  -0.00160  -0.00066  -0.00227  -0.98996
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   D166      -1.64877   0.00000   0.00042   0.00007   0.00049  -1.64828
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   D180       0.35974   0.00001   0.00048   0.00014   0.00061   0.36035
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   D263       1.95226   0.00001   0.00067   0.00041   0.00108   1.95335
   D264      -1.32235   0.00000   0.00030   0.00011   0.00041  -1.32194
   D265       1.59733   0.00000   0.00011   0.00019   0.00030   1.59763
   D266      -1.56309   0.00000   0.00042   0.00015   0.00057  -1.56252
   D267       1.35659   0.00000   0.00023   0.00023   0.00047   1.35705
   D268       1.97629   0.00000  -0.00004  -0.00017  -0.00021   1.97608
   D269      -1.38722   0.00000  -0.00023  -0.00009  -0.00032  -1.38753
   D270       0.85618   0.00000  -0.00014  -0.00017  -0.00031   0.85587
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   D275      -2.19235   0.00001   0.00085   0.00010   0.00094  -2.19141
   D276       1.60169   0.00001   0.00093   0.00015   0.00107   1.60276
   D277      -1.76182   0.00001   0.00074   0.00023   0.00097  -1.76085
   D278       1.59090  -0.00001   0.00096  -0.00009   0.00086   1.59176
   D279      -1.77261  -0.00001   0.00077  -0.00001   0.00076  -1.77185
   D280       0.82661   0.00000   0.00065   0.00007   0.00071   0.82733
   D281      -2.53689   0.00000   0.00046   0.00015   0.00061  -2.53628
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   D285      -2.62571   0.00001  -0.00135  -0.00009  -0.00145  -2.62716
   D286       1.64482   0.00000  -0.00017   0.00014  -0.00004   1.64478
   D287      -2.56828   0.00000  -0.00025   0.00020  -0.00005  -2.56833
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   D291      -2.98049   0.00001   0.00079   0.00090   0.00170  -2.97879
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   D293      -2.17256  -0.00001   0.00024   0.00032   0.00055  -2.17200
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   D295      -2.19144  -0.00002   0.00007   0.00030   0.00037  -2.19107
   D296      -2.30382   0.00001   0.00065   0.00048   0.00112  -2.30270
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   D299      -0.21479   0.00000   0.00085   0.00069   0.00155  -0.21325
   D300      -1.89849   0.00000   0.00104   0.00070   0.00174  -1.89675
   D301       0.17160   0.00000   0.00096   0.00076   0.00172   0.17332
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   D305      -0.56334   0.00000   0.00087   0.00074   0.00161  -0.56174
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   D309      -2.68446   0.00000  -0.00014   0.00026   0.00012  -2.68434
   D310       2.62830   0.00000  -0.00004   0.00018   0.00014   2.62843
   D311      -1.58480   0.00000  -0.00012   0.00024   0.00012  -1.58468
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   D316      -0.26866   0.00000   0.00071   0.00025   0.00096  -0.26770
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   D318       0.15001   0.00000   0.00070   0.00032   0.00102   0.15103
   D319       2.22010   0.00000   0.00062   0.00038   0.00100   2.22111
   D320       0.28877  -0.00001   0.00084   0.00016   0.00101   0.28977
   D321       2.35886  -0.00001   0.00076   0.00022   0.00099   2.35985
   D322      -0.54219   0.00000   0.00074   0.00042   0.00116  -0.54103
   D323       1.52790  -0.00001   0.00066   0.00048   0.00114   1.52904
   D324      -0.58132   0.00000   0.00176   0.00024   0.00200  -0.57932
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   D326       0.02265   0.00000   0.00103   0.00056   0.00160   0.02425
   D327       2.20786   0.00000   0.00111   0.00050   0.00162   2.20947
   D328       0.33867   0.00000   0.00056   0.00042   0.00097   0.33964
   D329       2.52388   0.00000   0.00063   0.00036   0.00099   2.52487
   D330       0.69956   0.00000   0.00040   0.00040   0.00080   0.70036
   D331       2.88477   0.00000   0.00048   0.00034   0.00082   2.88559
   D332       0.97705   0.00000   0.00030   0.00044   0.00074   0.97779
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   D334       0.29987   0.00001  -0.00052   0.00006  -0.00047   0.29940
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   D337       2.86436   0.00001  -0.00078  -0.00014  -0.00093   2.86343
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   D340      -1.99775   0.00000   0.00085   0.00051   0.00135  -1.99640
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   D342      -1.95100  -0.00001   0.00019   0.00023   0.00043  -1.95057
   D343       0.23421  -0.00001   0.00027   0.00018   0.00045   0.23466
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   D345       0.52750  -0.00001   0.00005   0.00012   0.00017   0.52767
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   D351      -2.32584  -0.00001   0.00007   0.00028   0.00035  -2.32549
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   D353      -1.91122   0.00000   0.00006   0.00036   0.00042  -1.91080
   D354       2.37957  -0.00001  -0.00065   0.00043  -0.00021   2.37935
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   D356       3.01677   0.00002   0.00044   0.00103   0.00147   3.01825
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   D362       1.76236   0.00002  -0.00005   0.00051   0.00045   1.76281
   D363      -2.33562   0.00002   0.00003   0.00045   0.00048  -2.33514
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   D366       2.70791  -0.00001  -0.00072   0.00050  -0.00021   2.70770
   D367      -1.39007  -0.00001  -0.00064   0.00045  -0.00019  -1.39026
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   D375      -1.83568   0.00001   0.00074   0.00166   0.00241  -1.83327
   D376       0.69935   0.00001  -0.00068  -0.00042  -0.00110   0.69825
   D377      -2.04511   0.00001  -0.00062   0.00091   0.00028  -2.04483
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   D379      -1.70940   0.00001  -0.00049   0.00094   0.00045  -1.70895
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   D381       0.73946   0.00000   0.00119   0.00164   0.00283   0.74229
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   D392       1.78735  -0.00001   0.00030  -0.00012   0.00018   1.78753
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   D465      -2.26755  -0.00001  -0.00022  -0.00023  -0.00044  -2.26799
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   D469       3.05000  -0.00001  -0.00066  -0.00053  -0.00119   3.04881
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   D478       3.12458  -0.00004  -0.00029   0.00056   0.00026   3.12485
   D479       0.01813  -0.00002   0.00006   0.00057   0.00063   0.01876
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   D482      -2.38486   0.00003   0.00220   0.00000   0.00220  -2.38266
   D483       2.81586  -0.00002   0.00205  -0.00007   0.00198   2.81784
   D484      -1.36099   0.00001   0.00284  -0.00005   0.00279  -1.35820
   D485       0.72323   0.00001   0.00186  -0.00001   0.00185   0.72508
   D486       0.02125   0.00000   0.00290  -0.00075   0.00215   0.02339
   D487       2.11294  -0.00001   0.00236  -0.00072   0.00164   2.11458
   D488      -2.08455  -0.00002   0.00243  -0.00080   0.00163  -2.08293
   D489      -3.08692   0.00002   0.00322  -0.00074   0.00248  -3.08445
   D490      -0.99523   0.00001   0.00268  -0.00071   0.00197  -0.99326
   D491       1.09046   0.00000   0.00275  -0.00080   0.00196   1.09242
         Item               Value     Threshold  Converged?
 Maximum Force            0.000067     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.013462     0.001800     NO 
 RMS     Displacement     0.001569     0.001200     NO 
 Predicted change in Energy=-8.743503D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:47:26 2016, MaxMem=  2952790016 cpu:         9.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.846454   -0.615012    1.689161
      2          6           0       -2.127538    1.076399   -1.352806
      3          8           0       -2.664422    0.088891   -1.884323
      4          7           0       -0.835358    1.141807   -0.930888
      5          1           0       -2.688336    2.010235   -1.147569
      6          6           0       -0.317048    2.315225   -0.226755
      7          1           0       -1.076609    3.109370   -0.223711
      8          1           0       -0.063532    2.047705    0.811739
      9          1           0        0.591944    2.681560   -0.730729
     10          6           0        0.089138    0.017665   -1.098415
     11          1           0        0.659129   -0.123900   -0.166735
     12          1           0       -0.481606   -0.893720   -1.319682
     13          1           0        0.796788    0.219702   -1.919321
     14          6           0       -1.978935   -4.039082    2.610624
     15          8           0       -2.120371   -3.895378    3.837146
     16          7           0       -2.909853   -3.733437    1.666411
     17          1           0       -1.038348   -4.423325    2.168508
     18          6           0       -4.221171   -3.188263    2.026801
     19          1           0       -4.492255   -2.406097    1.300115
     20          1           0       -4.991423   -3.977124    2.002985
     21          1           0       -4.172081   -2.753868    3.033811
     22          6           0       -2.642707   -3.907445    0.238355
     23          1           0       -3.339736   -4.644229   -0.193658
     24          1           0       -2.780779   -2.946050   -0.283786
     25          1           0       -1.609177   -4.252505    0.095151
     26          6           0        1.530590    0.377992    2.628368
     27          8           0        1.354531    1.392517    3.324197
     28          7           0        1.159233   -0.886217    2.968545
     29          1           0        2.010993    0.424516    1.631140
     30          6           0        1.473626   -2.033491    2.116650
     31          1           0        2.227454   -2.676327    2.601576
     32          1           0        0.564142   -2.632078    1.947960
     33          1           0        1.858158   -1.679667    1.150270
     34          6           0        0.520057   -1.168903    4.256392
     35          1           0        1.270920   -1.462200    5.009825
     36          1           0       -0.011065   -0.272459    4.600706
     37          1           0       -0.193634   -1.995382    4.126401
     38          6           0       -4.576709    1.281369    2.889794
     39          8           0       -4.814990    1.939221    1.862948
     40          7           0       -3.480251    1.419920    3.684773
     41          1           0       -5.254202    0.477995    3.243857
     42          6           0       -2.437181    2.407319    3.396453
     43          1           0       -2.536585    2.748233    2.358060
     44          1           0       -2.522480    3.269388    4.079066
     45          1           0       -1.449298    1.942495    3.539720
     46          6           0       -3.264243    0.557915    4.847152
     47          1           0       -4.081527   -0.172850    4.922094
     48          1           0       -2.307812    0.019960    4.738916
     49          1           0       -3.224218    1.161739    5.768604
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.491911   0.000000
     3  O    3.732872   1.243353   0.000000
     4  N    3.312610   1.360890   2.315846   0.000000
     5  H    3.955720   1.108452   2.057898   2.057826   0.000000
     6  C    3.820485   2.465878   3.635142   1.463338   2.562015
     7  H    4.257084   2.551917   3.795007   2.104664   2.158535
     8  H    3.322460   3.144647   4.227331   2.110240   3.275650
     9  H    4.761201   3.218556   4.319332   2.109051   3.374118
    10  C    3.452155   2.469673   2.864405   1.465077   3.418642
    11  H    3.156499   3.257759   3.747183   2.102245   4.089265
    12  H    3.315663   2.567403   2.459477   2.102301   3.651333
    13  H    4.550233   3.099444   3.463858   2.119240   3.993457
    14  C    3.548366   6.472944   6.141221   6.379003   7.156920
    15  O    3.930607   7.187087   6.993253   7.053980   7.748950
    16  N    3.294831   5.732557   5.222848   5.900635   6.399791
    17  H    3.922507   6.620646   6.279303   6.373237   7.423579
    18  C    3.517799   5.830299   5.334800   6.241888   6.280971
    19  H    3.218634   4.975706   4.439209   5.562184   5.361834
    20  H    4.614446   6.708298   6.087575   7.216920   7.146934
    21  H    3.433851   6.171994   5.877274   6.482965   6.510155
    22  C    3.684966   5.256986   4.525144   5.488951   6.077977
    23  H    4.691427   5.961429   5.071175   6.347726   6.753974
    24  H    3.193622   4.213030   3.433092   4.573180   5.031841
    25  H    3.978508   5.546395   4.886673   5.545282   6.475404
    26  C    3.643157   5.451552   6.168151   4.341593   5.892475
    27  O    4.117016   5.839442   6.706720   4.792099   6.059954
    28  N    3.277885   5.773110   6.254718   4.826681   6.335268
    29  H    3.995483   5.143571   5.859234   3.896179   5.685017
    30  C    3.635623   5.888711   6.134796   4.970051   6.657985
    31  H    4.655990   6.977539   7.190283   6.036329   7.757896
    32  H    3.153808   5.647388   5.702077   4.948593   6.458481
    33  H    3.892048   5.454087   5.726279   4.421195   6.290155
    34  C    3.535229   6.596532   7.030741   5.838185   7.042975
    35  H    4.632770   7.647030   8.088391   6.819775   8.102285
    36  H    3.458770   6.460896   7.016158   5.768721   6.739521
    37  H    3.252287   6.572482   6.824791   5.985811   7.076953
    38  C    3.534413   4.903071   5.279303   5.349280   4.516359
    39  O    3.920015   4.278777   4.700075   4.927359   3.686586
    40  N    3.285226   5.227336   5.783774   5.327019   4.932254
    41  H    3.901857   5.591370   5.758176   6.115172   5.311878
    42  C    3.521120   4.941931   5.771770   4.784688   4.568248
    43  H    3.497874   4.090584   5.008618   4.036330   3.585681
    44  H    4.610555   5.871151   6.760009   5.698476   5.378726
    45  H    3.181689   5.014672   5.859403   4.583051   4.848760
    46  C    3.654968   6.324587   6.774401   6.294931   6.194964
    47  H    3.955113   6.689773   6.957298   6.820802   6.599064
    48  H    3.149135   6.185276   6.633190   5.964340   6.225488
    49  H    4.657997   7.205863   7.748010   7.112682   6.988603
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098913   0.000000
     8  H    1.101956   1.796000   0.000000
     9  H    1.102024   1.795595   1.791822   0.000000
    10  C    2.490694   3.417999   2.791605   2.735752   0.000000
    11  H    2.627899   3.670159   2.489079   2.862377   1.101344
    12  H    3.393950   4.192841   3.656463   3.779154   1.097876
    13  H    2.914898   3.838606   3.397122   2.741433   1.102486
    14  C    7.154705   7.742610   6.629761   7.933541   5.872912
    15  O    7.637988   8.163730   6.978818   8.454480   6.674848
    16  N    6.847849   7.331941   6.500277   7.691622   5.541568
    17  H    7.187880   7.903523   6.683212   7.844923   5.627291
    18  C    7.114006   7.390079   6.795418   8.076192   6.214798
    19  H    6.484949   6.664012   6.299876   7.473798   5.711105
    20  H    8.149550   8.396567   7.874118   9.109623   7.168620
    21  H    7.154598   7.387216   6.698722   8.149329   6.550929
    22  C    6.659327   7.204295   6.514961   7.403855   4.965523
    23  H    7.587604   8.077187   7.518398   8.331490   5.857390
    24  H    5.809839   6.290939   5.789748   6.576093   4.205193
    25  H    6.701366   7.387998   6.526497   7.321767   4.747971
    26  C    3.913869   4.732048   2.937569   4.179834   4.012049
    27  O    4.031727   4.630948   2.958483   4.322683   4.801139
    28  N    4.758002   5.581595   3.841206   5.170635   4.301427
    29  H    3.527936   4.492461   2.758590   3.561792   3.362964
    30  C    5.254464   6.199194   4.552121   5.578228   4.057178
    31  H    6.276108   7.236945   5.546946   6.518135   5.051725
    32  H    5.475553   6.353931   4.856474   5.950705   4.065362
    33  H    4.752566   5.782349   4.207232   4.915461   3.326703
    34  C    5.739207   6.397209   4.748976   6.301000   5.501599
    35  H    6.649237   7.334852   5.632417   7.112363   6.395093
    36  H    5.485811   5.987250   4.443218   6.124871   5.707381
    37  H    6.127522   6.764733   5.229766   6.788418   5.606337
    38  C    5.378331   5.028538   5.027359   6.464031   6.266808
    39  O    4.973904   4.438343   4.867562   6.042613   6.042559
    40  N    5.109548   4.889579   4.508038   6.137684   6.130721
    41  H    6.308411   6.033278   5.943251   7.404759   6.900617
    42  C    4.198938   3.930600   3.527645   5.126835   5.683007
    43  H    3.434401   2.987891   2.999640   4.396903   5.128123
    44  H    4.930969   4.542031   4.267829   5.760149   6.648351
    45  H    3.950601   3.957765   3.061584   4.790575   5.252052
    46  C    6.125246   6.083529   5.361771   7.105829   6.847394
    47  H    6.846347   6.803073   6.161994   7.870412   7.326478
    48  H    5.821450   5.973942   4.956941   6.738673   6.310294
    49  H    6.762137   6.656826   5.945198   7.688581   7.709941
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795324   0.000000
    13  H    1.791249   1.798213   0.000000
    14  C    5.477386   5.251914   6.808985   0.000000
    15  O    6.162851   6.187760   7.653798   1.242985   0.000000
    16  N    5.396926   4.783004   6.497998   1.360722   2.315512
    17  H    5.178788   4.993550   6.452579   1.108067   2.057633
    18  C    6.165976   5.517991   7.236438   2.468272   2.861944
    19  H    5.822098   5.023537   6.725590   3.271215   3.778930
    20  H    7.175218   6.394211   8.154828   3.073784   3.407898
    21  H    6.364025   6.002721   7.620059   2.576965   2.481512
    22  C    5.037999   4.022484   5.789563   2.466897   3.636520
    23  H    6.035315   4.848005   6.614119   3.175213   4.277267
    24  H    4.450977   3.251358   5.049351   3.196135   4.280122
    25  H    4.717964   3.815050   5.463278   2.551445   3.793598
    26  C    2.970512   4.610129   4.609230   5.641598   5.749117
    27  O    3.869071   5.492167   5.401949   6.412757   6.348220
    28  N    3.265151   4.591438   5.024506   4.462820   4.534900
    29  H    2.315308   4.081440   3.757927   6.066517   6.371509
    30  C    3.086064   4.114655   4.671622   4.023255   4.398130
    31  H    4.078979   5.088512   5.556284   4.421639   4.681486
    32  H    3.282059   3.846162   4.810679   2.980944   3.517323
    33  H    2.364865   3.491829   3.762512   4.735267   5.287473
    34  C    4.547023   5.672006   6.335948   4.146256   3.818546
    35  H    5.381645   6.592206   7.146094   4.791455   4.335480
    36  H    4.816609   5.971463   6.588293   4.692588   4.261189
    37  H    4.760321   5.563848   6.514467   3.108310   2.721391
    38  C    6.223435   6.262633   7.288978   5.927357   5.807734
    39  O    6.192097   6.077245   6.982433   6.659004   6.723167
    40  N    5.861054   6.276095   7.151186   5.762677   5.488613
    41  H    6.852875   6.744269   7.958618   5.615366   5.412880
    42  C    5.356352   6.079725   6.595580   6.510268   6.326022
    43  H    4.983606   5.568892   5.983381   6.814867   6.818981
    44  H    6.297925   7.116398   7.503251   7.474322   7.180117
    45  H    4.738487   5.709144   6.149313   6.076430   5.883839
    46  C    6.402873   6.919549   7.898831   5.271285   4.707480
    47  H    6.955027   7.241468   8.411719   4.971070   4.345165
    48  H    5.734880   6.393470   7.349188   4.594955   4.022212
    49  H    7.208432   7.873413   8.726977   6.210644   5.524801
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056836   0.000000
    18  C    1.465146   3.416990   0.000000
    19  H    2.097618   4.093017   1.101519   0.000000
    20  H    2.122639   3.981619   1.102794   1.792016   0.000000
    21  H    2.102988   3.654602   1.097806   1.796986   1.797298
    22  C    1.463212   2.562341   2.491447   2.608104   2.938577
    23  H    2.115230   3.305301   2.797713   2.927267   2.828133
    24  H    2.107109   3.351440   2.733534   2.393625   3.343558
    25  H    2.104767   2.157275   3.418537   3.629504   3.892974
    26  C    6.127540   5.464756   6.794323   6.766836   7.867324
    27  O    6.870854   6.394178   7.331797   7.260253   8.417231
    28  N    5.134167   4.240349   5.927483   6.085475   6.951013
    29  H    6.442402   5.752288   7.214472   7.100294   8.279283
    30  C    4.723073   3.467566   5.811393   6.033017   6.751850
    31  H    5.327658   3.728943   6.494399   6.849913   7.359522
    32  H    3.655257   2.413542   4.818172   5.102736   5.716334
    33  H    5.217116   4.117550   6.324746   6.393582   7.274763
    34  C    5.004909   4.168830   5.614992   5.949242   6.583339
    35  H    5.815135   4.708935   6.483888   6.918603   7.388022
    36  H    5.384369   4.919409   5.731658   5.960484   6.728793
    37  H    4.055888   3.231377   4.695993   5.160883   5.608473
    38  C    5.424330   6.751576   4.566047   4.016419   5.348848
    39  O    5.987255   7.405294   5.164355   4.393487   5.920631
    40  N    5.563832   6.511947   4.953099   4.620514   5.851507
    41  H    5.071535   6.553833   3.998728   3.560433   4.632159
    42  C    6.397292   7.079709   6.030680   5.637989   7.016196
    43  H    6.529147   7.328840   6.179770   5.613467   7.168175
    44  H    7.416908   8.064162   6.985600   6.619192   7.932069
    45  H    6.152944   6.524781   6.024690   5.760700   7.067538
    46  C    5.353354   6.078033   4.785806   4.782765   5.624856
    47  H    4.964884   5.908444   4.182695   4.274906   4.880738
    48  H    4.887815   5.287846   4.616190   4.741613   5.537487
    49  H    6.394495   6.995116   5.823876   5.857027   6.611415
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388849   0.000000
    23  H    3.831817   1.102422   0.000000
    24  H    3.602652   1.102713   1.790075   0.000000
    25  H    4.177333   1.098980   1.797691   1.795291   0.000000
    26  C    6.518695   6.441548   7.543647   6.173961   6.141403
    27  O    6.915221   7.320515   8.417467   6.995820   7.146788
    28  N    5.649361   5.571042   6.660548   5.508562   5.220382
    29  H    7.092251   6.508661   7.592916   6.163500   6.110600
    30  C    5.764905   4.897335   5.943226   4.969388   4.302808
    31  H    6.414584   5.551480   6.532961   5.786230   4.846261
    32  H    4.860629   3.851388   4.886261   4.033331   3.283596
    33  H    6.408230   5.104152   6.132933   5.017965   4.444680
    34  C    5.101271   5.800630   6.839506   5.887867   5.599836
    35  H    5.932899   6.637969   7.645894   6.829377   6.343089
    36  H    5.091817   6.258496   7.292349   6.219137   6.220511
    37  H    4.194889   4.977032   5.964668   5.200657   4.832116
    38  C    4.058030   6.139567   6.793415   5.582835   6.873139
    39  O    4.879481   6.445279   7.053213   5.710723   7.193039
    40  N    4.280524   6.400007   7.199713   5.941415   6.968695
    41  H    3.414681   5.923262   6.459014   5.503287   6.751162
    42  C    5.457035   7.063431   7.964159   6.505441   7.479133
    43  H    5.779672   6.985876   7.861604   6.282025   7.415604
    44  H    6.331931   8.140789   9.030471   7.598214   8.560641
    45  H    5.452093   6.822392   7.803640   6.347433   7.090038
    46  C    3.883333   6.447228   7.244153   6.232016   6.961386
    47  H    3.199292   6.160748   6.834793   6.040179   6.786419
    48  H    3.751933   5.982618   6.866572   5.852217   6.348748
    49  H    4.869242   7.524522   8.322931   7.328164   8.006901
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242753   0.000000
    28  N    1.360827   2.314576   0.000000
    29  H    1.107888   2.057768   2.057224   0.000000
    30  C    2.465837   3.634541   1.463149   2.562476   0.000000
    31  H    3.132922   4.223703   2.116662   3.256352   1.103018
    32  H    3.233805   4.326212   2.108022   3.396546   1.101782
    33  H    2.554611   3.797093   2.103374   2.163835   1.098611
    34  C    2.462625   2.850651   1.465267   3.413770   2.497059
    35  H    3.020773   3.316285   2.123924   3.939914   2.955998
    36  H    2.586485   2.503293   2.100058   3.659620   3.387636
    37  H    3.293926   3.810276   2.097886   4.116141   2.611572
    38  C    6.179283   5.948165   6.132345   6.761378   6.942089
    39  O    6.579491   6.363735   6.700507   6.995865   7.442681
    40  N    5.225910   4.848287   5.230302   5.946596   6.239067
    41  H    6.813386   6.672193   6.562699   7.442229   7.269238
    42  C    4.522315   3.925828   4.895373   5.180163   6.054180
    43  H    4.715191   4.232277   5.219290   5.158347   6.245395
    44  H    5.185757   4.373064   5.661919   5.885408   6.923905
    45  H    3.486828   2.865377   3.890024   4.233268   5.135862
    46  C    5.286379   4.934474   5.018149   6.179697   6.051316
    47  H    6.087731   5.878298   5.638335   6.950254   6.495555
    48  H    4.394990   4.159099   3.996971   5.336106   5.039069
    49  H    5.751829   5.195510   5.590089   6.713385   6.753962
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787674   0.000000
    33  H    1.798888   1.793843   0.000000
    34  C    2.815306   2.733438   3.420437   0.000000
    35  H    2.861595   3.353083   3.910026   1.103395   0.000000
    36  H    3.845266   3.596627   4.168901   1.097385   1.796203
    37  H    2.941164   2.392741   3.628619   1.099690   1.791547
    38  C    7.876742   6.529201   7.293914   5.817941   6.798269
    39  O    8.452507   7.059679   7.624642   6.622064   7.649236
    40  N    7.108477   5.982668   6.673062   4.799084   5.712793
    41  H    8.144780   6.723468   7.721675   6.089299   7.032796
    42  C    6.945078   6.041654   6.340247   4.719546   5.596978
    43  H    7.223657   6.223378   6.354434   5.318898   6.265517
    44  H    7.752185   6.992578   7.229176   5.383948   6.135480
    45  H    5.977637   5.245413   5.456079   3.751370   4.599211
    46  C    6.757342   5.765232   6.701694   4.201407   4.967397
    47  H    7.173246   6.039497   7.195625   4.754982   5.506252
    48  H    5.692700   4.803214   5.755208   3.105329   3.882978
    49  H    7.381161   6.583467   7.431900   4.662431   5.259949
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796318   0.000000
    38  C    5.117295   5.610493   0.000000
    39  O    5.955212   6.477750   1.242562   0.000000
    40  N    3.967157   4.760375   1.361399   2.317380   0.000000
    41  H    5.467605   5.701388   1.108949   2.057911   2.056340
    42  C    3.810181   4.995007   2.470231   2.867879   1.464950
    43  H    4.531258   5.578381   2.568372   2.467948   2.101211
    44  H    4.373099   5.757045   3.096197   3.454870   2.119746
    45  H    2.846091   4.174657   3.261930   3.760247   2.102117
    46  C    3.366516   4.058010   2.465198   3.635697   1.463160
    47  H    4.084346   4.366975   2.547587   3.789087   2.104617
    48  H    2.319409   2.984381   3.187208   4.270913   2.108487
    49  H    3.707460   4.674257   3.182937   4.288261   2.115316
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417774   0.000000
    43  H    3.650214   1.097435   0.000000
    44  H    3.993964   1.102906   1.798239   0.000000
    45  H    4.087736   1.101136   1.796587   1.789765   0.000000
    46  C    2.556731   2.491758   3.394490   2.914147   2.630679
    47  H    2.148312   3.418878   4.182564   3.871734   3.648873
    48  H    3.335597   2.741975   3.628263   3.322689   2.423069
    49  H    3.310995   2.792490   3.823822   2.790906   2.954293
                   46         47         48         49
    46  C    0.000000
    47  H    1.098902   0.000000
    48  H    1.102665   1.793543   0.000000
    49  H    1.102398   1.797967   1.789892   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2141831      0.1927229      0.1848036
 Leave Link  202 at Mon Nov 14 01:47:26 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0560980802 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841278133 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8719702669 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4033
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.20D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.41%
 GePol: Cavity surface area                          =    466.550 Ang**2
 GePol: Cavity volume                                =    457.966 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040111611 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8679591058 Hartrees.
 Leave Link  301 at Mon Nov 14 01:47:26 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:47:27 2016, MaxMem=  2952790016 cpu:        15.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:47:28 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000712   -0.000284    0.000950
         Rot=    1.000000   -0.000025    0.000055   -0.000057 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 01:47:28 2016, MaxMem=  2952790016 cpu:         6.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48795267.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.02D-14 for   2015.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.03D-14 for   2094   1081.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.33D-15 for   2149.
 Iteration    1 A^-1*A deviation from orthogonality  is 8.69D-07 for   2429   2422.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.55D-15 for   1991.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.32D-14 for   2219    131.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for     75.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.33D-15 for   3662    465.
 E= -1013.45123239298    
 DIIS: error= 1.11D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45123239298     IErMin= 1 ErrMin= 1.11D-04
 ErrMax= 1.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-05 BMatP= 1.62D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.11D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.25D-05 MaxDP=6.73D-04              OVMax= 9.89D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.25D-05    CP:  1.00D+00
 E= -1013.45125896430     Delta-E=       -0.000026571321 Rises=F Damp=F
 DIIS: error= 1.33D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45125896430     IErMin= 2 ErrMin= 1.33D-05
 ErrMax= 1.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-07 BMatP= 1.62D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.193D-01 0.981D+00
 Coeff:      0.193D-01 0.981D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.11D-06 MaxDP=2.13D-04 DE=-2.66D-05 OVMax= 2.51D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.04D-06    CP:  1.00D+00  9.68D-01
 E= -1013.45125827589     Delta-E=        0.000000688407 Rises=F Damp=F
 DIIS: error= 3.74D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45125896430     IErMin= 2 ErrMin= 1.33D-05
 ErrMax= 3.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-06 BMatP= 2.47D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.246D-02 0.691D+00 0.306D+00
 Coeff:      0.246D-02 0.691D+00 0.306D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.99D-06 MaxDP=1.81D-04 DE= 6.88D-07 OVMax= 2.42D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.53D-06    CP:  1.00D+00  9.75D-01  3.64D-01
 E= -1013.45125913190     Delta-E=       -0.000000856008 Rises=F Damp=F
 DIIS: error= 8.41D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45125913190     IErMin= 4 ErrMin= 8.41D-06
 ErrMax= 8.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-08 BMatP= 2.47D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.206D-04 0.273D+00 0.203D+00 0.524D+00
 Coeff:      0.206D-04 0.273D+00 0.203D+00 0.524D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.61D-07 MaxDP=3.97D-05 DE=-8.56D-07 OVMax= 7.63D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.87D-07    CP:  1.00D+00  9.78D-01  4.12D-01  5.92D-01
 E= -1013.45125917679     Delta-E=       -0.000000044890 Rises=F Damp=F
 DIIS: error= 4.34D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45125917679     IErMin= 5 ErrMin= 4.34D-06
 ErrMax= 4.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-09 BMatP= 5.82D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.954D-05 0.147D+00 0.121D+00 0.360D+00 0.372D+00
 Coeff:     -0.954D-05 0.147D+00 0.121D+00 0.360D+00 0.372D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.95D-07 MaxDP=1.58D-05 DE=-4.49D-08 OVMax= 1.88D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.17D-07    CP:  1.00D+00  9.79D-01  4.04D-01  6.06D-01  6.12D-01
 E= -1013.45125918292     Delta-E=       -0.000000006125 Rises=F Damp=F
 DIIS: error= 2.05D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45125918292     IErMin= 6 ErrMin= 2.05D-07
 ErrMax= 2.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-11 BMatP= 7.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-04 0.304D-01 0.270D-01 0.833D-01 0.117D+00 0.743D+00
 Coeff:     -0.167D-04 0.304D-01 0.270D-01 0.833D-01 0.117D+00 0.743D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.04D-08 MaxDP=1.72D-06 DE=-6.13D-09 OVMax= 1.22D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.60D-08    CP:  1.00D+00  9.79D-01  4.06D-01  6.10D-01  6.15D-01
                    CP:  9.03D-01
 E= -1013.45125918299     Delta-E=       -0.000000000072 Rises=F Damp=F
 DIIS: error= 7.96D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45125918299     IErMin= 7 ErrMin= 7.96D-08
 ErrMax= 7.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-12 BMatP= 3.36D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.973D-05 0.882D-02 0.825D-02 0.260D-01 0.421D-01 0.378D+00
 Coeff-Com:  0.537D+00
 Coeff:     -0.973D-05 0.882D-02 0.825D-02 0.260D-01 0.421D-01 0.378D+00
 Coeff:      0.537D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.10D-08 MaxDP=3.63D-07 DE=-7.23D-11 OVMax= 6.26D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.22D-09    CP:  1.00D+00  9.79D-01  4.05D-01  6.10D-01  6.17D-01
                    CP:  9.09D-01  6.89D-01
 E= -1013.45125918298     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 5.14D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45125918299     IErMin= 8 ErrMin= 5.14D-08
 ErrMax= 5.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-12 BMatP= 5.77D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.561D-05 0.276D-02 0.272D-02 0.863D-02 0.156D-01 0.168D+00
 Coeff-Com:  0.341D+00 0.461D+00
 Coeff:     -0.561D-05 0.276D-02 0.272D-02 0.863D-02 0.156D-01 0.168D+00
 Coeff:      0.341D+00 0.461D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.15D-09 MaxDP=2.51D-07 DE= 1.32D-11 OVMax= 4.24D-07

 Error on total polarization charges =  0.04297
 SCF Done:  E(RB97D) =  -1013.45125918     A.U. after    8 cycles
            NFock=  8  Conv=0.41D-08     -V/T= 2.0213
 KE= 9.923499427630D+02 PE=-6.027220037616D+03 EE= 2.173550876564D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:49:10 2016, MaxMem=  2952790016 cpu:      1159.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37511.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 01:49:18 2016, MaxMem=  2952790016 cpu:        96.2
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:49:18 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:49:55 2016, MaxMem=  2952790016 cpu:       440.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.26451677D+00-2.71918796D+00 3.29211162D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000009614   -0.000153024   -0.000144908
      2        6          -0.000010712    0.000054989   -0.000012909
      3        8           0.000028717   -0.000001621    0.000030325
      4        7          -0.000036507   -0.000005079   -0.000024584
      5        1           0.000027708    0.000027126    0.000005379
      6        6           0.000103895    0.000120065    0.000076090
      7        1          -0.000012282   -0.000028070    0.000059729
      8        1           0.000102271   -0.000045089    0.000011869
      9        1          -0.000004199    0.000015789   -0.000015687
     10        6           0.000067830    0.000058655    0.000127076
     11        1           0.000031479    0.000080383    0.000055561
     12        1           0.000044584    0.000024019   -0.000037611
     13        1           0.000028221    0.000034178    0.000021375
     14        6          -0.000000351   -0.000002527    0.000020286
     15        8          -0.000011331   -0.000023140   -0.000037259
     16        7          -0.000035873   -0.000009551   -0.000011134
     17        1          -0.000001750    0.000022921   -0.000041410
     18        6           0.000004296    0.000057642   -0.000013486
     19        1          -0.000022812    0.000043967    0.000035195
     20        1          -0.000004488    0.000005704   -0.000056997
     21        1          -0.000027827   -0.000049621   -0.000015006
     22        6          -0.000005249    0.000023741   -0.000032641
     23        1           0.000005463    0.000024563   -0.000047032
     24        1           0.000008691    0.000004401   -0.000011357
     25        1           0.000003301    0.000007118   -0.000030632
     26        6           0.000000106    0.000028856    0.000014836
     27        8           0.000022516   -0.000018542    0.000035965
     28        7          -0.000016792   -0.000053932   -0.000006157
     29        1          -0.000017539   -0.000003760    0.000024451
     30        6           0.000012891   -0.000008539    0.000014727
     31        1           0.000010729   -0.000005800   -0.000020382
     32        1          -0.000001165   -0.000002952   -0.000055664
     33        1          -0.000017140    0.000007342    0.000005501
     34        6          -0.000001682   -0.000004420   -0.000065050
     35        1          -0.000019438   -0.000043547    0.000011118
     36        1           0.000019055   -0.000014923    0.000052222
     37        1          -0.000034198   -0.000010060   -0.000010101
     38        6          -0.000053554    0.000020147   -0.000060820
     39        8           0.000060567   -0.000029268   -0.000000594
     40        7          -0.000056100    0.000032336    0.000046868
     41        1           0.000020523   -0.000040686   -0.000017953
     42        6           0.000019050   -0.000001558    0.000120519
     43        1          -0.000008157   -0.000026340   -0.000006402
     44        1          -0.000016572   -0.000005802   -0.000003053
     45        1          -0.000022504   -0.000046599    0.000042573
     46        6          -0.000088389   -0.000024311   -0.000014348
     47        1          -0.000020457   -0.000008179   -0.000018561
     48        1          -0.000063136    0.000004192   -0.000003533
     49        1          -0.000021304   -0.000031190    0.000003607
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000153024 RMS     0.000041043
 Leave Link  716 at Mon Nov 14 01:49:55 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000055541 RMS     0.000011633
 Search for a local minimum.
 Step number  35 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .11633D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   25   26   27   28   29
                                                     30   31   32   33   34
                                                     35
 DE= -3.76D-06 DEPred=-8.74D-07 R= 4.30D+00
 TightC=F SS=  1.41D+00  RLast= 5.21D-02 DXNew= 2.2445D+00 1.5642D-01
 Trust test= 4.30D+00 RLast= 5.21D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00023   0.00046   0.00087   0.00137   0.00212
     Eigenvalues ---    0.00264   0.00351   0.00397   0.00493   0.00584
     Eigenvalues ---    0.00684   0.00702   0.00767   0.00785   0.00839
     Eigenvalues ---    0.00891   0.01020   0.01025   0.01118   0.01134
     Eigenvalues ---    0.01181   0.01230   0.01317   0.01325   0.01394
     Eigenvalues ---    0.01534   0.01560   0.01630   0.01704   0.01784
     Eigenvalues ---    0.01796   0.01822   0.01893   0.01902   0.01951
     Eigenvalues ---    0.02091   0.02121   0.02254   0.02369   0.02422
     Eigenvalues ---    0.02582   0.02682   0.02900   0.03079   0.03376
     Eigenvalues ---    0.03810   0.04315   0.04421   0.04729   0.04833
     Eigenvalues ---    0.05438   0.05630   0.05967   0.06082   0.06298
     Eigenvalues ---    0.06509   0.06730   0.07000   0.07153   0.07505
     Eigenvalues ---    0.07558   0.07755   0.07970   0.08159   0.08205
     Eigenvalues ---    0.08289   0.08450   0.08472   0.08653   0.08768
     Eigenvalues ---    0.08826   0.08969   0.09318   0.09346   0.09646
     Eigenvalues ---    0.09876   0.09929   0.10040   0.10274   0.10338
     Eigenvalues ---    0.10504   0.10557   0.10607   0.10924   0.11109
     Eigenvalues ---    0.11271   0.11369   0.11485   0.12155   0.13234
     Eigenvalues ---    0.13494   0.13886   0.14545   0.15166   0.15302
     Eigenvalues ---    0.15642   0.16290   0.22071   0.23263   0.23552
     Eigenvalues ---    0.23810   0.24475   0.25000   0.25776   0.26478
     Eigenvalues ---    0.26994   0.27781   0.28576   0.29276   0.29715
     Eigenvalues ---    0.29870   0.30047   0.32726   0.32739   0.32821
     Eigenvalues ---    0.32827   0.33300   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33426   0.33457   0.33490   0.33690
     Eigenvalues ---    0.33793   0.33830   0.33832   0.33916   0.33944
     Eigenvalues ---    0.33995   0.34011   0.34160   0.37286   0.39369
     Eigenvalues ---    0.40585   0.41381   0.85934   0.85987   0.86093
     Eigenvalues ---    0.87255
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    35   34   33   32   31
 RFO step:  Lambda=-6.83251549D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.58D-06 SmlDif=  1.00D-05
 RMS Error=  0.1099051787D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    4.10517   -5.06254    2.98096   -0.08993   -0.93365
 Iteration  1 RMS(Cart)=  0.00438527 RMS(Int)=  0.00002851
 Iteration  2 RMS(Cart)=  0.00001998 RMS(Int)=  0.00001804
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001804
 ITry= 1 IFail=0 DXMaxC= 4.86D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59876  -0.00001  -0.00370  -0.00058  -0.00428   6.59448
    R2        6.25993   0.00000  -0.00193   0.00054  -0.00141   6.25852
    R3        7.21967   0.00002   0.01569   0.00518   0.02080   7.24047
    R4        6.27854   0.00001   0.02977   0.00900   0.03877   6.31731
    R5        6.52363   0.00001  -0.00076  -0.00024  -0.00101   6.52262
    R6        5.96492   0.00001   0.01248   0.00150   0.01398   5.97890
    R7        6.70544   0.00001  -0.00321  -0.00054  -0.00375   6.70169
    R8        6.22633   0.00000  -0.00056   0.00035  -0.00022   6.22611
    R9        6.64768   0.00001   0.00207   0.00083   0.00289   6.65057
   R10        6.08234   0.00000   0.00175  -0.00025   0.00150   6.08384
   R11        6.96358  -0.00001  -0.00297  -0.00079  -0.00376   6.95982
   R12        6.03507   0.00000  -0.00190  -0.00051  -0.00241   6.03266
   R13        6.88457   0.00001  -0.00314  -0.00015  -0.00328   6.88129
   R14        6.19430   0.00000  -0.00077  -0.00022  -0.00099   6.19331
   R15        6.87033  -0.00002  -0.00059  -0.00050  -0.00109   6.86924
   R16        5.95983  -0.00001   0.00240   0.00035   0.00275   5.96258
   R17        6.68061   0.00002  -0.00132  -0.00027  -0.00161   6.67900
   R18        6.67907  -0.00006  -0.00036  -0.00046  -0.00084   6.67823
   R19        6.20818   0.00001  -0.00164  -0.00008  -0.00172   6.20645
   R20        6.65395   0.00001  -0.00533  -0.00190  -0.00723   6.64672
   R21        6.01252   0.00001  -0.00924   0.00174  -0.00750   6.00502
   R22        6.90689   0.00004   0.00340   0.00075   0.00414   6.91103
   R23        5.95100   0.00002   0.00519   0.00158   0.00677   5.95778
   R24        2.34960   0.00001   0.00005   0.00003   0.00009   2.34968
   R25        2.57171   0.00000  -0.00012  -0.00002  -0.00009   2.57162
   R26        2.09467   0.00000   0.00003  -0.00004  -0.00001   2.09466
   R27        2.76531   0.00002   0.00009  -0.00002   0.00015   2.76546
   R28        2.76860   0.00000   0.00005  -0.00006   0.00000   2.76859
   R29        2.07664  -0.00001  -0.00004  -0.00003  -0.00007   2.07657
   R30        2.08239   0.00001  -0.00011   0.00007   0.00010   2.08250
   R31        2.08252   0.00000   0.00016   0.00005   0.00021   2.08274
   R32        2.08124  -0.00001   0.00004   0.00003   0.00009   2.08133
   R33        2.07468   0.00000   0.00005  -0.00002   0.00003   2.07472
   R34        2.08340   0.00000   0.00006   0.00003   0.00009   2.08349
   R35        2.34890  -0.00001  -0.00004  -0.00001  -0.00004   2.34886
   R36        2.57139   0.00001   0.00011   0.00007   0.00021   2.57160
   R37        2.09394   0.00000   0.00006   0.00001   0.00006   2.09400
   R38        2.76872   0.00000  -0.00002   0.00001   0.00000   2.76872
   R39        2.76507   0.00001   0.00004   0.00001   0.00009   2.76516
   R40        2.08157   0.00000   0.00002   0.00004   0.00008   2.08165
   R41        2.08398   0.00000   0.00001  -0.00001   0.00000   2.08398
   R42        2.07455   0.00000   0.00002  -0.00003  -0.00001   2.07455
   R43        2.08328   0.00000   0.00002  -0.00001   0.00000   2.08328
   R44        2.08383  -0.00001  -0.00014   0.00001  -0.00017   2.08365
   R45        2.07677   0.00000   0.00000  -0.00001  -0.00001   2.07676
   R46        2.34846   0.00000   0.00005   0.00002   0.00007   2.34853
   R47        2.57159   0.00002  -0.00003   0.00001  -0.00002   2.57157
   R48        2.09361   0.00000   0.00001  -0.00004  -0.00003   2.09358
   R49        2.76495   0.00000   0.00000   0.00001   0.00000   2.76495
   R50        2.76895  -0.00002   0.00004  -0.00002   0.00003   2.76898
   R51        2.08440   0.00000  -0.00003   0.00001  -0.00002   2.08438
   R52        2.08207  -0.00001   0.00009  -0.00002   0.00006   2.08213
   R53        2.07607   0.00000   0.00003   0.00001   0.00003   2.07611
   R54        2.08511   0.00001  -0.00002   0.00001  -0.00001   2.08510
   R55        2.07376   0.00000   0.00012   0.00001   0.00013   2.07389
   R56        2.07811   0.00001  -0.00001  -0.00001  -0.00002   2.07809
   R57        2.34810  -0.00003  -0.00006   0.00002  -0.00004   2.34806
   R58        2.57267   0.00000   0.00007   0.00006   0.00015   2.57282
   R59        2.09561   0.00001  -0.00003  -0.00001  -0.00004   2.09557
   R60        2.76835   0.00000   0.00025   0.00010   0.00036   2.76871
   R61        2.76497  -0.00002   0.00016  -0.00006   0.00012   2.76509
   R62        2.07385   0.00002  -0.00013   0.00005  -0.00008   2.07377
   R63        2.08419  -0.00001   0.00003  -0.00008  -0.00005   2.08414
   R64        2.08084   0.00001   0.00051  -0.00004   0.00050   2.08134
   R65        2.07662  -0.00001  -0.00004   0.00002  -0.00001   2.07661
   R66        2.08374   0.00001   0.00016   0.00003   0.00020   2.08394
   R67        2.08323   0.00000   0.00005  -0.00005   0.00000   2.08323
    A1        0.68225   0.00001  -0.00083  -0.00028  -0.00110   0.68116
    A2        0.95812   0.00001  -0.00066  -0.00023  -0.00089   0.95723
    A3        0.72714   0.00001   0.00024   0.00009   0.00033   0.72747
    A4        1.01965   0.00000   0.00003   0.00000   0.00002   1.01967
    A5        2.33316   0.00000   0.00238   0.00091   0.00328   2.33644
    A6        2.01136   0.00000   0.00201   0.00089   0.00289   2.01425
    A7        1.96448   0.00000   0.00128   0.00070   0.00196   1.96645
    A8        1.66903   0.00000   0.00122   0.00074   0.00195   1.67098
    A9        1.64327   0.00000   0.00200   0.00086   0.00283   1.64610
   A10        1.36109   0.00000   0.00195   0.00085   0.00278   1.36387
   A11        1.73876  -0.00001   0.00002  -0.00003  -0.00004   1.73872
   A12        2.04194   0.00000   0.00069   0.00009   0.00075   2.04269
   A13        1.94435  -0.00001   0.00132   0.00025   0.00155   1.94591
   A14        2.02952  -0.00001   0.00234   0.00059   0.00292   2.03244
   A15        2.43779  -0.00001   0.00034  -0.00002   0.00029   2.43809
   A16        1.54465  -0.00001  -0.00469  -0.00050  -0.00517   1.53947
   A17        1.76105   0.00000  -0.00512  -0.00082  -0.00594   1.75512
   A18        1.56392   0.00000  -0.00482  -0.00119  -0.00603   1.55789
   A19        1.69852   0.00001  -0.00402  -0.00065  -0.00470   1.69382
   A20        2.17247  -0.00001  -0.00534  -0.00087  -0.00622   2.16625
   A21        2.39528  -0.00001  -0.00560  -0.00105  -0.00666   2.38862
   A22        0.64732   0.00000  -0.00153  -0.00058  -0.00210   0.64522
   A23        0.66026   0.00000  -0.00044  -0.00015  -0.00060   0.65966
   A24        2.38701   0.00000   0.00211   0.00066   0.00276   2.38977
   A25        2.20806   0.00001   0.00212   0.00081   0.00292   2.21098
   A26        2.30487   0.00001   0.00156   0.00070   0.00225   2.30712
   A27        2.03804   0.00001   0.00143   0.00076   0.00218   2.04021
   A28        1.80124   0.00000   0.00192   0.00075   0.00265   1.80388
   A29        1.55857   0.00000   0.00209   0.00083   0.00292   1.56149
   A30        1.34531  -0.00001   0.00010   0.00005   0.00013   1.34544
   A31        1.64357   0.00000   0.00037   0.00003   0.00038   1.64394
   A32        1.59198  -0.00001   0.00037  -0.00004   0.00031   1.59230
   A33        1.74243  -0.00001   0.00104   0.00016   0.00119   1.74362
   A34        2.04108  -0.00001   0.00037   0.00004   0.00039   2.04146
   A35        1.79251   0.00000  -0.00299   0.00028  -0.00269   1.78982
   A36        1.87941   0.00000  -0.00311   0.00007  -0.00304   1.87637
   A37        1.55029   0.00000  -0.00298  -0.00022  -0.00322   1.54707
   A38        1.56642   0.00001  -0.00236   0.00023  -0.00215   1.56428
   A39        2.25440   0.00000  -0.00316  -0.00009  -0.00326   2.25114
   A40        2.35146   0.00000  -0.00297  -0.00029  -0.00328   2.34818
   A41        0.69201  -0.00001  -0.00116  -0.00051  -0.00166   0.69035
   A42        0.74961  -0.00001  -0.00185  -0.00071  -0.00255   0.74707
   A43        2.65791   0.00000   0.00036  -0.00006   0.00030   2.65821
   A44        2.58993   0.00001   0.00070   0.00032   0.00102   2.59095
   A45        2.64542   0.00001   0.00050   0.00045   0.00094   2.64637
   A46        2.33958   0.00001   0.00058   0.00054   0.00112   2.34070
   A47        2.18260   0.00000   0.00048   0.00027   0.00074   2.18334
   A48        1.94672   0.00000   0.00075   0.00041   0.00115   1.94787
   A49        1.10308  -0.00001  -0.00064  -0.00027  -0.00092   1.10216
   A50        1.46270  -0.00001  -0.00067  -0.00038  -0.00105   1.46165
   A51        1.56344  -0.00001  -0.00136  -0.00067  -0.00204   1.56140
   A52        1.79846  -0.00001  -0.00103  -0.00057  -0.00162   1.79685
   A53        1.78889  -0.00001  -0.00014  -0.00017  -0.00032   1.78856
   A54        1.63892   0.00000  -0.00004   0.00141   0.00138   1.64029
   A55        1.59943   0.00000  -0.00030   0.00107   0.00077   1.60020
   A56        1.21534   0.00000  -0.00058   0.00071   0.00012   1.21546
   A57        1.18661   0.00001  -0.00058   0.00087   0.00029   1.18689
   A58        1.92032   0.00000  -0.00057   0.00072   0.00014   1.92046
   A59        1.97106   0.00000  -0.00107   0.00029  -0.00078   1.97028
   A60        0.84864  -0.00002  -0.00219  -0.00107  -0.00324   0.84540
   A61        0.78706  -0.00003  -0.00354  -0.00153  -0.00504   0.78202
   A62        2.60994  -0.00002  -0.00158  -0.00102  -0.00257   2.60737
   A63        2.76492  -0.00001  -0.00081  -0.00056  -0.00138   2.76353
   A64        2.59668   0.00001   0.00132   0.00085   0.00213   2.59881
   A65        2.38626  -0.00001  -0.00065  -0.00037  -0.00105   2.38521
   A66        2.18807   0.00000   0.00010   0.00000   0.00009   2.18816
   A67        0.86612  -0.00002  -0.00224  -0.00093  -0.00311   0.86301
   A68        1.24224  -0.00002  -0.00228  -0.00104  -0.00328   1.23895
   A69        1.42396  -0.00002  -0.00346  -0.00156  -0.00499   1.41897
   A70        1.69519  -0.00002  -0.00328  -0.00152  -0.00477   1.69041
   A71        1.52890  -0.00002  -0.00106  -0.00052  -0.00153   1.52737
   A72        1.64510   0.00002   0.00301   0.00263   0.00564   1.65074
   A73        1.50161   0.00002   0.00251   0.00223   0.00475   1.50636
   A74        1.08170   0.00002   0.00205   0.00195   0.00402   1.08572
   A75        0.97932   0.00002   0.00135   0.00181   0.00320   0.98252
   A76        1.75092   0.00001   0.00172   0.00160   0.00335   1.75427
   A77        1.74444   0.00001   0.00054   0.00091   0.00149   1.74594
   A78        1.99049   0.00001   0.00171   0.00056   0.00226   1.99275
   A79        1.92713   0.00002   0.00175   0.00072   0.00246   1.92959
   A80        2.20193   0.00002   0.00142   0.00068   0.00208   2.20401
   A81        2.05475   0.00003   0.00127   0.00079   0.00205   2.05680
   A82        1.53778   0.00001   0.00148   0.00068   0.00214   1.53991
   A83        1.36837   0.00002   0.00182   0.00083   0.00264   1.37101
   A84        1.20090  -0.00002   0.00174   0.00051   0.00223   1.20313
   A85        1.38595  -0.00002   0.00172   0.00040   0.00211   1.38805
   A86        1.21794  -0.00002   0.00120   0.00020   0.00140   1.21934
   A87        1.32319  -0.00001   0.00143   0.00029   0.00172   1.32491
   A88        1.81293  -0.00002   0.00181   0.00042   0.00222   1.81514
   A89        2.22571   0.00000  -0.00311   0.00019  -0.00293   2.22278
   A90        2.28608  -0.00001  -0.00195   0.00040  -0.00159   2.28448
   A91        1.90528  -0.00001  -0.00145   0.00032  -0.00117   1.90412
   A92        1.82591   0.00000  -0.00039   0.00090   0.00048   1.82639
   A93        2.59900  -0.00001  -0.00067   0.00046  -0.00026   2.59874
   A94        2.54490  -0.00001   0.00090   0.00047   0.00133   2.54622
   A95        1.90971   0.00001   0.00220   0.00063   0.00282   1.91252
   A96        1.98165   0.00002   0.00255   0.00087   0.00340   1.98505
   A97        2.35477   0.00002   0.00238   0.00085   0.00321   2.35798
   A98        2.30235   0.00003   0.00218   0.00099   0.00313   2.30548
   A99        1.64993   0.00002   0.00230   0.00085   0.00313   1.65306
   A100       1.55336   0.00002   0.00271   0.00103   0.00373   1.55709
   A101       0.89357  -0.00002   0.00144   0.00046   0.00190   0.89547
   A102       1.06385  -0.00001   0.00143   0.00035   0.00178   1.06563
   A103       0.93347  -0.00001   0.00092   0.00014   0.00106   0.93452
   A104       1.09396   0.00000   0.00117   0.00023   0.00139   1.09535
   A105       1.49069  -0.00002   0.00153   0.00037   0.00190   1.49259
   A106       2.38829  -0.00001  -0.00196   0.00067  -0.00130   2.38698
   A107       2.28570  -0.00001  -0.00055   0.00082   0.00025   2.28595
   A108       1.85950  -0.00001  -0.00074   0.00069  -0.00007   1.85943
   A109       1.68890  -0.00001  -0.00002   0.00108   0.00106   1.68996
   A110       2.44339  -0.00001   0.00108   0.00075   0.00182   2.44521
   A111       2.28409  -0.00001   0.00174   0.00058   0.00232   2.28641
   A112       0.71362   0.00000   0.00011   0.00003   0.00015   0.71376
   A113       1.00477   0.00000   0.00011   0.00004   0.00016   1.00493
   A114       0.69507   0.00000   0.00033   0.00006   0.00041   0.69548
   A115       0.98264   0.00000   0.00044   0.00010   0.00054   0.98318
   A116       1.80357   0.00000   0.00171   0.00037   0.00208   1.80565
   A117       1.42330   0.00000   0.00145   0.00034   0.00178   1.42509
   A118       1.18863   0.00000   0.00199   0.00058   0.00257   1.19120
   A119       0.91482   0.00000   0.00168   0.00050   0.00218   0.91700
   A120       1.25057   0.00000   0.00071   0.00006   0.00077   1.25135
   A121       1.98307   0.00000  -0.00054  -0.00139  -0.00194   1.98113
   A122       2.00579   0.00000   0.00049  -0.00089  -0.00040   2.00539
   A123       2.34074  -0.00001   0.00124  -0.00028   0.00096   2.34170
   A124       2.25143  -0.00001   0.00160  -0.00028   0.00132   2.25275
   A125       1.64167   0.00000   0.00111  -0.00056   0.00055   1.64222
   A126       1.50837   0.00000   0.00199  -0.00015   0.00183   1.51020
   A127       0.65537   0.00000  -0.00006   0.00002  -0.00004   0.65534
   A128       0.66078   0.00000   0.00007   0.00002   0.00009   0.66087
   A129       2.16389   0.00000   0.00245   0.00064   0.00308   2.16696
   A130       1.79295   0.00000   0.00201   0.00052   0.00253   1.79548
   A131       1.49701   0.00000   0.00269   0.00080   0.00349   1.50050
   A132       1.20460   0.00000   0.00248   0.00074   0.00323   1.20783
   A133       1.64364   0.00000   0.00087   0.00009   0.00096   1.64460
   A134       1.83470  -0.00001  -0.00259  -0.00199  -0.00457   1.83013
   A135       2.01522  -0.00001  -0.00178  -0.00165  -0.00343   2.01180
   A136       2.43656  -0.00001  -0.00124  -0.00138  -0.00263   2.43393
   A137       2.50662  -0.00002  -0.00008  -0.00118  -0.00128   2.50534
   A138       1.75636  -0.00001  -0.00077  -0.00113  -0.00191   1.75445
   A139       1.72161   0.00000   0.00050  -0.00060  -0.00011   1.72150
   A140       0.70494   0.00000   0.00008   0.00000   0.00008   0.70502
   A141       0.83373   0.00000  -0.00040  -0.00015  -0.00056   0.83317
   A142       2.49874   0.00000   0.00118   0.00016   0.00133   2.50006
   A143       2.11884   0.00000   0.00113   0.00021   0.00134   2.12018
   A144       1.89630   0.00000   0.00229   0.00067   0.00296   1.89925
   A145       1.61107   0.00000   0.00213   0.00063   0.00275   1.61382
   A146       1.84168   0.00000  -0.00007  -0.00021  -0.00028   1.84140
   A147       1.40850  -0.00001  -0.00268  -0.00198  -0.00465   1.40384
   A148       1.62991  -0.00001  -0.00259  -0.00182  -0.00440   1.62551
   A149       2.05792  -0.00001  -0.00222  -0.00170  -0.00392   2.05400
   A150       2.23500  -0.00002  -0.00195  -0.00185  -0.00380   2.23119
   A151       1.46053  -0.00001  -0.00216  -0.00141  -0.00358   1.45695
   A152       1.52643  -0.00001  -0.00129  -0.00097  -0.00226   1.52416
   A153       0.76351   0.00001   0.00018   0.00013   0.00031   0.76382
   A154       0.76507   0.00001  -0.00042  -0.00004  -0.00046   0.76460
   A155       2.80784   0.00000   0.00165   0.00034   0.00196   2.80979
   A156       2.42630   0.00000   0.00136   0.00030   0.00166   2.42796
   A157       2.15050   0.00001   0.00273   0.00086   0.00359   2.15410
   A158       1.85702   0.00001   0.00254   0.00081   0.00335   1.86037
   A159       2.15419   0.00000  -0.00034  -0.00034  -0.00067   2.15352
   A160       1.27096  -0.00002  -0.00402  -0.00231  -0.00632   1.26464
   A161       1.58010  -0.00002  -0.00404  -0.00220  -0.00624   1.57386
   A162       1.98051  -0.00001  -0.00356  -0.00217  -0.00573   1.97478
   A163       2.23982  -0.00002  -0.00345  -0.00230  -0.00574   2.23408
   A164       1.53494  -0.00002  -0.00366  -0.00180  -0.00546   1.52947
   A165       1.67985  -0.00002  -0.00277  -0.00137  -0.00415   1.67570
   A166       2.14758   0.00000   0.00342   0.00108   0.00450   2.15207
   A167       1.85238   0.00000   0.00282   0.00083   0.00366   1.85604
   A168       1.46562   0.00000   0.00311   0.00094   0.00406   1.46968
   A169       1.18751   0.00000   0.00294   0.00087   0.00383   1.19134
   A170       1.86561   0.00000   0.00168   0.00038   0.00207   1.86768
   A171       2.03333  -0.00001  -0.00401  -0.00220  -0.00621   2.02712
   A172       2.32559  -0.00001  -0.00308  -0.00194  -0.00504   2.32055
   A173       2.74287  -0.00001  -0.00315  -0.00198  -0.00516   2.73771
   A174       2.14490  -0.00001  -0.00121  -0.00123  -0.00245   2.14245
   A175       2.12914   0.00000   0.00074  -0.00054   0.00019   2.12933
   A176       2.25158   0.00000   0.00439   0.00147   0.00586   2.25743
   A177       2.03644   0.00000   0.00375   0.00116   0.00492   2.04136
   A178       1.62585  -0.00001   0.00384   0.00118   0.00503   1.63089
   A179       1.37708  -0.00001   0.00365   0.00109   0.00475   1.38182
   A180       2.12952   0.00000   0.00237   0.00061   0.00298   2.13249
   A181       1.95572  -0.00001  -0.00560  -0.00241  -0.00801   1.94771
   A182       2.32114  -0.00001  -0.00523  -0.00232  -0.00756   2.31358
   A183       2.64032   0.00000  -0.00518  -0.00225  -0.00745   2.63286
   A184       2.28435  -0.00001  -0.00328  -0.00171  -0.00501   2.27934
   A185       2.34983   0.00000  -0.00084  -0.00094  -0.00182   2.34802
   A186       0.69122   0.00000   0.00015   0.00003   0.00018   0.69139
   A187       0.98202   0.00000   0.00027   0.00007   0.00033   0.98235
   A188       0.69973   0.00000   0.00024  -0.00001   0.00023   0.69996
   A189       2.07400   0.00001   0.00109   0.00098   0.00208   2.07608
   A190       1.70677   0.00001   0.00108   0.00082   0.00191   1.70868
   A191       1.36592   0.00001   0.00051   0.00095   0.00148   1.36740
   A192       1.06472   0.00001   0.00034   0.00089   0.00124   1.06597
   A193       1.62017   0.00002   0.00116   0.00043   0.00160   1.62177
   A194       1.40116   0.00002   0.00084   0.00018   0.00104   1.40220
   A195       0.66678   0.00000  -0.00006  -0.00001  -0.00007   0.66671
   A196       2.23971   0.00002   0.00216   0.00088   0.00304   2.24275
   A197       1.84437   0.00001   0.00211   0.00084   0.00296   1.84734
   A198       1.60641   0.00001   0.00143   0.00109   0.00253   1.60894
   A199       1.29224   0.00001   0.00117   0.00089   0.00207   1.29431
   A200       1.61582   0.00002   0.00223   0.00052   0.00276   1.61859
   A201       1.34183   0.00002   0.00206   0.00039   0.00246   1.34429
   A202       0.71082   0.00000   0.00020   0.00008   0.00028   0.71110
   A203       2.63588   0.00002   0.00257   0.00081   0.00338   2.63926
   A204       2.24516   0.00001   0.00244   0.00086   0.00331   2.24847
   A205       2.01649   0.00001   0.00130   0.00110   0.00241   2.01890
   A206       1.70241   0.00001   0.00108   0.00093   0.00201   1.70443
   A207       1.95827   0.00002   0.00285   0.00058   0.00344   1.96171
   A208       1.66954   0.00002   0.00285   0.00053   0.00338   1.67292
   A209       0.83463   0.00000  -0.00025  -0.00007  -0.00032   0.83430
   A210       2.70387   0.00002   0.00238   0.00004   0.00241   2.70629
   A211       2.38391   0.00002   0.00251   0.00054   0.00307   2.38698
   A212       2.26193   0.00001   0.00158   0.00106   0.00264   2.26457
   A213       1.95084   0.00001   0.00123   0.00083   0.00206   1.95289
   A214       2.01622   0.00002   0.00272   0.00033   0.00306   2.01928
   A215       1.73297   0.00002   0.00285   0.00039   0.00324   1.73622
   A216       1.93316   0.00002   0.00259   0.00062   0.00321   1.93637
   A217       1.55963   0.00001   0.00264   0.00071   0.00336   1.56299
   A218       1.46528   0.00001   0.00222   0.00104   0.00328   1.46856
   A219       1.18101   0.00000   0.00185   0.00067   0.00254   1.18355
   A220       1.24771   0.00002   0.00261   0.00050   0.00312   1.25083
   A221       0.95989   0.00002   0.00254   0.00044   0.00299   0.96288
   A222       0.71537   0.00000   0.00053   0.00012   0.00065   0.71602
   A223       1.00931   0.00000   0.00075   0.00009   0.00083   1.01015
   A224       0.69922   0.00000  -0.00019  -0.00004  -0.00023   0.69899
   A225       0.98803  -0.00001  -0.00025  -0.00002  -0.00026   0.98777
   A226       0.66140   0.00000   0.00062  -0.00008   0.00053   0.66193
   A227       0.66643  -0.00001  -0.00041  -0.00005  -0.00045   0.66597
   A228       0.70829   0.00000  -0.00002   0.00009   0.00008   0.70837
   A229       0.84033  -0.00001  -0.00059   0.00007  -0.00051   0.83982
   A230       0.77834  -0.00001   0.00022  -0.00038  -0.00016   0.77818
   A231       0.78546  -0.00001  -0.00053  -0.00053  -0.00105   0.78441
   A232       1.59325  -0.00003  -0.00095  -0.00126  -0.00220   1.59105
   A233       1.86241   0.00001  -0.00017   0.00064   0.00047   1.86288
   A234       2.19039  -0.00001  -0.00008   0.00000  -0.00006   2.19033
   A235       2.12917   0.00001   0.00017   0.00000   0.00017   2.12934
   A236       1.96329   0.00000  -0.00011  -0.00001  -0.00014   1.96315
   A237       2.12238   0.00001   0.00072   0.00035   0.00104   2.12342
   A238       2.12567   0.00003  -0.00008   0.00026   0.00015   2.12582
   A239       2.03397  -0.00005  -0.00025  -0.00055  -0.00082   2.03315
   A240       1.85062  -0.00004  -0.00239  -0.00147  -0.00385   1.84676
   A241       2.52265   0.00002   0.00308   0.00148   0.00450   2.52715
   A242       1.91347  -0.00003   0.00048  -0.00014   0.00026   1.91372
   A243       1.91802  -0.00002  -0.00011  -0.00029  -0.00037   1.91765
   A244       1.91629   0.00002  -0.00089  -0.00014  -0.00089   1.91541
   A245       1.90906   0.00002   0.00052   0.00045   0.00099   1.91005
   A246       1.90833   0.00002  -0.00014   0.00015  -0.00002   1.90831
   A247       1.89855  -0.00001   0.00014  -0.00002   0.00004   1.89859
   A248       1.28609   0.00002  -0.00629  -0.00115  -0.00742   1.27866
   A249       1.90548   0.00000  -0.00014  -0.00018  -0.00034   1.90515
   A250       1.90917  -0.00002   0.00040   0.00005   0.00042   1.90960
   A251       1.92790   0.00000   0.00016  -0.00004   0.00015   1.92805
   A252       1.91011   0.00002  -0.00028   0.00014  -0.00012   1.90999
   A253       1.89785   0.00000   0.00028   0.00007   0.00035   1.89819
   A254       1.91319  -0.00001  -0.00042  -0.00004  -0.00046   1.91273
   A255       1.72029   0.00001   0.00096   0.00023   0.00119   1.72147
   A256       1.77146  -0.00002  -0.00191  -0.00089  -0.00280   1.76865
   A257       2.19063   0.00000   0.00006   0.00012   0.00018   2.19082
   A258       2.12986   0.00000   0.00004  -0.00006  -0.00002   2.12984
   A259       1.96249   0.00000  -0.00010  -0.00007  -0.00017   1.96232
   A260       2.12375   0.00000   0.00014   0.00015   0.00028   2.12403
   A261       2.12423  -0.00001  -0.00008  -0.00009  -0.00016   2.12407
   A262       2.03501   0.00000  -0.00008  -0.00007  -0.00016   2.03485
   A263       1.33708   0.00003   0.00110   0.00081   0.00192   1.33900
   A264       1.89886   0.00001  -0.00002   0.00011   0.00007   1.89892
   A265       1.93226   0.00000   0.00003  -0.00006  -0.00003   1.93223
   A266       1.91012   0.00001   0.00004  -0.00004  -0.00001   1.91010
   A267       1.89843   0.00000  -0.00005  -0.00005  -0.00010   1.89833
   A268       1.91259   0.00000   0.00007   0.00005   0.00013   1.91272
   A269       1.91144  -0.00002  -0.00006   0.00000  -0.00006   1.91139
   A270       2.66387   0.00000   0.00209   0.00069   0.00278   2.66666
   A271       1.69978   0.00000  -0.00232  -0.00073  -0.00305   1.69673
   A272       1.92464   0.00000   0.00031  -0.00001   0.00030   1.92493
   A273       1.91302   0.00001  -0.00019   0.00006  -0.00015   1.91288
   A274       1.91369   0.00000  -0.00005  -0.00004  -0.00009   1.91360
   A275       1.89437   0.00000  -0.00022  -0.00003  -0.00024   1.89413
   A276       1.91103   0.00000   0.00010   0.00000   0.00010   1.91113
   A277       1.90688   0.00000   0.00005   0.00002   0.00008   1.90697
   A278       1.80857   0.00003   0.00008   0.00017   0.00025   1.80881
   A279       1.75315  -0.00002  -0.00104  -0.00006  -0.00110   1.75205
   A280       2.18924   0.00001  -0.00015   0.00000  -0.00015   2.18909
   A281       2.13073   0.00000   0.00012   0.00004   0.00016   2.13089
   A282       1.96314  -0.00001   0.00003  -0.00004  -0.00001   1.96313
   A283       2.12264  -0.00001  -0.00023  -0.00002  -0.00025   2.12239
   A284       2.11528   0.00000  -0.00006  -0.00015  -0.00020   2.11508
   A285       2.04226   0.00001   0.00039   0.00018   0.00057   2.04283
   A286       2.69793   0.00002   0.00266   0.00093   0.00359   2.70153
   A287       1.66147  -0.00002  -0.00265  -0.00092  -0.00356   1.65791
   A288       1.92608   0.00000   0.00038   0.00012   0.00051   1.92659
   A289       1.91535   0.00001  -0.00005  -0.00002  -0.00007   1.91527
   A290       1.91222   0.00000  -0.00016  -0.00004  -0.00021   1.91201
   A291       1.89107   0.00001   0.00003   0.00005   0.00008   1.89115
   A292       1.91262   0.00000   0.00005  -0.00002   0.00004   1.91266
   A293       1.90628  -0.00001  -0.00027  -0.00008  -0.00035   1.90593
   A294       1.34475   0.00004  -0.00223  -0.00033  -0.00257   1.34218
   A295       1.15652  -0.00002   0.00160   0.00024   0.00185   1.15837
   A296       1.93327   0.00000   0.00017   0.00008   0.00027   1.93353
   A297       1.90635   0.00002  -0.00001  -0.00004  -0.00007   1.90629
   A298       1.90096  -0.00001  -0.00006  -0.00003  -0.00015   1.90082
   A299       1.90949  -0.00002   0.00000  -0.00006  -0.00006   1.90943
   A300       1.89925   0.00000   0.00014   0.00003   0.00018   1.89943
   A301       1.91444   0.00001  -0.00024   0.00002  -0.00017   1.91427
   A302       1.72286  -0.00005  -0.00229   0.00054  -0.00176   1.72109
   A303       1.76368  -0.00003   0.00328  -0.00132   0.00196   1.76564
   A304       2.19338  -0.00001  -0.00017   0.00003  -0.00013   2.19325
   A305       2.12968   0.00003   0.00013   0.00010   0.00021   2.12989
   A306       1.95987  -0.00001   0.00004  -0.00014  -0.00009   1.95977
   A307       2.12600   0.00000   0.00080  -0.00016   0.00061   2.12662
   A308       2.12098  -0.00001  -0.00022  -0.00006  -0.00029   2.12069
   A309       2.03569   0.00001  -0.00052   0.00020  -0.00031   2.03538
   A310       1.39291  -0.00004   0.00095  -0.00311  -0.00216   1.39075
   A311       2.96238   0.00003  -0.00299   0.00312   0.00012   2.96250
   A312       1.90828  -0.00002  -0.00010  -0.00020  -0.00029   1.90798
   A313       1.92832   0.00000  -0.00055   0.00020  -0.00035   1.92796
   A314       1.90568  -0.00001  -0.00017  -0.00006  -0.00025   1.90543
   A315       1.91326   0.00001   0.00149   0.00000   0.00149   1.91474
   A316       1.91294   0.00000   0.00028  -0.00027   0.00003   1.91296
   A317       1.89527   0.00002  -0.00095   0.00033  -0.00062   1.89465
   A318       1.70522  -0.00001  -0.00131  -0.00031  -0.00162   1.70360
   A319       1.91363   0.00001   0.00007  -0.00019  -0.00012   1.91351
   A320       1.91505  -0.00002  -0.00135   0.00010  -0.00124   1.91381
   A321       1.92485   0.00000   0.00066  -0.00006   0.00060   1.92545
   A322       1.90430   0.00001  -0.00002  -0.00004  -0.00007   1.90424
   A323       1.91160   0.00000   0.00039   0.00009   0.00048   1.91208
   A324       1.89418   0.00001   0.00025   0.00011   0.00035   1.89453
   A325       2.92260   0.00001   0.00062   0.00046   0.00107   2.92368
   A326       3.34179   0.00001  -0.00202   0.00020  -0.00186   3.33993
   A327       3.05961   0.00001  -0.00208   0.00020  -0.00191   3.05770
   A328       3.19928   0.00001  -0.00671  -0.00119  -0.00788   3.19139
   A329       3.24852   0.00001   0.00104   0.00081   0.00186   3.25038
   A330       3.25423   0.00002  -0.00224  -0.00039  -0.00263   3.25161
   A331       3.61681  -0.00001  -0.00092  -0.00022  -0.00114   3.61568
   A332       3.21920  -0.00001  -0.00205  -0.00117  -0.00319   3.21601
   A333       3.03263  -0.00001  -0.00391  -0.00215  -0.00605   3.02657
   A334       2.97093  -0.00001  -0.00444  -0.00237  -0.00681   2.96412
   A335       3.23098  -0.00001  -0.00390  -0.00036  -0.00427   3.22671
   A336       3.08242   0.00000   0.00043  -0.00018   0.00025   3.08267
   A337       3.10489  -0.00001   0.00076   0.00011   0.00088   3.10577
   A338       3.03509   0.00000   0.00115   0.00053   0.00169   3.03678
    D1        2.76009  -0.00001  -0.00141  -0.00010  -0.00152   2.75858
    D2       -1.35786   0.00000  -0.00162  -0.00043  -0.00206  -1.35992
    D3        2.79136  -0.00002  -0.00255  -0.00078  -0.00332   2.78805
    D4       -1.32659  -0.00002  -0.00276  -0.00111  -0.00386  -1.33045
    D5        1.66007   0.00002   0.00024   0.00066   0.00089   1.66096
    D6       -2.45788   0.00002   0.00003   0.00033   0.00035  -2.45753
    D7        1.84027   0.00002   0.00171   0.00107   0.00276   1.84302
    D8       -2.27769   0.00002   0.00150   0.00074   0.00222  -2.27547
    D9        0.31689   0.00000  -0.00012   0.00070   0.00058   0.31747
   D10        2.48212   0.00000  -0.00033   0.00038   0.00004   2.48216
   D11        0.03894  -0.00001  -0.00037   0.00047   0.00010   0.03904
   D12        2.20417  -0.00001  -0.00058   0.00014  -0.00044   2.20373
   D13       -0.42784  -0.00001  -0.00050   0.00038  -0.00012  -0.42796
   D14        1.73739  -0.00001  -0.00072   0.00005  -0.00066   1.73673
   D15       -0.54499  -0.00001  -0.00009   0.00039   0.00031  -0.54468
   D16        1.62024  -0.00001  -0.00030   0.00007  -0.00023   1.62001
   D17        0.22104  -0.00001   0.00022   0.00059   0.00081   0.22185
   D18        2.38627   0.00000   0.00001   0.00026   0.00027   2.38654
   D19        0.15935   0.00000  -0.00031   0.00037   0.00005   0.15940
   D20        2.32457   0.00000  -0.00052   0.00004  -0.00049   2.32409
   D21        2.39455  -0.00001   0.00427   0.00192   0.00619   2.40074
   D22       -1.72340  -0.00001   0.00406   0.00159   0.00565  -1.71776
   D23        2.14905  -0.00001   0.00479   0.00206   0.00686   2.15591
   D24       -1.96891  -0.00001   0.00458   0.00173   0.00632  -1.96258
   D25        1.70714  -0.00001   0.00438   0.00195   0.00634   1.71348
   D26       -2.41081  -0.00001   0.00417   0.00162   0.00580  -2.40502
   D27        1.39952  -0.00001   0.00423   0.00193   0.00618   1.40570
   D28       -2.71843   0.00000   0.00402   0.00160   0.00564  -2.71279
   D29        2.35721  -0.00001   0.00632   0.00247   0.00879   2.36600
   D30       -1.76074  -0.00001   0.00611   0.00214   0.00825  -1.75249
   D31       -1.81165   0.00001   0.00454   0.00282   0.00738  -1.80427
   D32        0.35358   0.00001   0.00433   0.00250   0.00684   0.36042
   D33       -2.14429   0.00000   0.00434   0.00259   0.00694  -2.13736
   D34        0.02093   0.00000   0.00413   0.00226   0.00640   0.02733
   D35       -2.52687   0.00000   0.00396   0.00267   0.00663  -2.52024
   D36       -0.36164   0.00000   0.00374   0.00235   0.00609  -0.35555
   D37       -2.81158   0.00000   0.00413   0.00274   0.00686  -2.80472
   D38       -0.64635   0.00000   0.00392   0.00241   0.00632  -0.64003
   D39       -2.13975   0.00001   0.00415   0.00217   0.00632  -2.13344
   D40        0.02548   0.00001   0.00394   0.00185   0.00578   0.03125
   D41       -2.38674   0.00001   0.00502   0.00206   0.00703  -2.37970
   D42       -0.22151   0.00002   0.00481   0.00173   0.00649  -0.21501
   D43        1.25379   0.00000   0.00027   0.00029   0.00056   1.25435
   D44       -1.96103   0.00000   0.01266   0.00377   0.01643  -1.94460
   D45        2.44396   0.00001   0.00235   0.00110   0.00344   2.44741
   D46       -0.77086   0.00002   0.01474   0.00458   0.01931  -0.75155
   D47        2.92821   0.00002   0.00383   0.00157   0.00538   2.93360
   D48       -0.28661   0.00002   0.01622   0.00505   0.02125  -0.26536
   D49        2.83657   0.00001   0.00412   0.00209   0.00622   2.84279
   D50       -0.37825   0.00001   0.01651   0.00557   0.02209  -0.35617
   D51        2.03540   0.00000   0.00276   0.00167   0.00443   2.03983
   D52       -1.17943   0.00000   0.01515   0.00515   0.02030  -1.15913
   D53        1.16381  -0.00001   0.00199   0.00118   0.00318   1.16699
   D54       -2.05101  -0.00001   0.01438   0.00466   0.01905  -2.03196
   D55        1.02648  -0.00002   0.00201   0.00088   0.00291   1.02939
   D56       -2.18834  -0.00001   0.01440   0.00436   0.01878  -2.16957
   D57        2.01597   0.00000   0.00272   0.00137   0.00408   2.02005
   D58       -1.19885   0.00000   0.01511   0.00485   0.01995  -1.17890
   D59        1.82588   0.00000   0.00190   0.00101   0.00291   1.82879
   D60       -1.38895   0.00000   0.01429   0.00449   0.01878  -1.37016
   D61       -2.29368  -0.00001   0.00651   0.00250   0.00900  -2.28468
   D62        0.77468   0.00000   0.01890   0.00597   0.02487   0.79955
   D63       -2.42789  -0.00001   0.00574   0.00214   0.00789  -2.42000
   D64        0.64047   0.00000   0.01813   0.00562   0.02376   0.66423
   D65       -2.83023  -0.00001   0.00551   0.00202   0.00753  -2.82269
   D66        0.23814  -0.00001   0.01790   0.00550   0.02340   0.26154
   D67       -3.00781  -0.00001   0.00564   0.00206   0.00770  -3.00010
   D68        0.06055  -0.00001   0.01803   0.00554   0.02357   0.08413
   D69       -2.15069  -0.00001   0.00527   0.00192   0.00718  -2.14351
   D70        0.91767  -0.00001   0.01766   0.00539   0.02305   0.94073
   D71       -0.19112   0.00001   0.00792   0.00291   0.01083  -0.18030
   D72        2.87724   0.00001   0.02031   0.00638   0.02670   2.90394
   D73       -0.58499   0.00000   0.00790   0.00288   0.01079  -0.57420
   D74        2.48338   0.00001   0.02029   0.00636   0.02666   2.51004
   D75       -0.77853   0.00000   0.00761   0.00336   0.01099  -0.76754
   D76        2.28983   0.00001   0.02000   0.00684   0.02686   2.31669
   D77       -1.11438   0.00000   0.00726   0.00325   0.01053  -1.10386
   D78        1.95398   0.00000   0.01965   0.00673   0.02640   1.98038
   D79       -0.84846   0.00001   0.00795   0.00249   0.01045  -0.83801
   D80        2.21990   0.00002   0.02034   0.00597   0.02632   2.24622
   D81       -1.15531   0.00001   0.00798   0.00233   0.01032  -1.14499
   D82        1.91306   0.00002   0.02037   0.00580   0.02618   1.93924
   D83       -1.53135   0.00001  -0.00377  -0.00068  -0.00445  -1.53581
   D84       -2.60865   0.00000  -0.00291  -0.00046  -0.00338  -2.61203
   D85       -2.93856  -0.00002  -0.00468  -0.00129  -0.00595  -2.94452
   D86        0.72903   0.00000  -0.00204   0.00009  -0.00196   0.72707
   D87        0.30889   0.00000  -0.00258  -0.00010  -0.00269   0.30620
   D88       -0.06740   0.00000  -0.00306  -0.00021  -0.00328  -0.07068
   D89       -0.39850  -0.00001  -0.00312  -0.00036  -0.00348  -0.40199
   D90        0.18608  -0.00001  -0.00247  -0.00017  -0.00266   0.18342
   D91       -0.04971  -0.00001  -0.00288  -0.00032  -0.00322  -0.05293
   D92        2.39790  -0.00001   0.00004   0.00053   0.00057   2.39847
   D93        2.05009  -0.00001  -0.00005   0.00051   0.00045   2.05054
   D94        1.65694  -0.00001   0.00030   0.00059   0.00089   1.65783
   D95        1.36968  -0.00001   0.00029   0.00058   0.00086   1.37054
   D96        2.05246   0.00000  -0.00030   0.00040   0.00010   2.05257
   D97       -1.95226   0.00000   0.00300   0.00209   0.00506  -1.94720
   D98       -2.45926  -0.00001   0.00424   0.00196   0.00618  -2.45308
   D99       -2.68894  -0.00001   0.00238   0.00175   0.00414  -2.68480
   D100      -3.00694  -0.00001   0.00191   0.00134   0.00326  -3.00368
   D101      -2.88558   0.00001   0.00784   0.00200   0.00984  -2.87575
   D102       2.86466   0.00002   0.00723   0.00156   0.00885   2.87351
   D103      -2.88425   0.00000   0.00087  -0.00026   0.00062  -2.88363
   D104       1.21187   0.00000   0.00112   0.00001   0.00114   1.21301
   D105       2.83308   0.00000  -0.00078  -0.00080  -0.00159   2.83149
   D106       0.64602   0.00000  -0.00053  -0.00053  -0.00107   0.64495
   D107       2.34005  -0.00001  -0.00126  -0.00117  -0.00243   2.33761
   D108       0.15298  -0.00001  -0.00101  -0.00090  -0.00191   0.15107
   D109       1.77289   0.00000  -0.00020  -0.00028  -0.00044   1.77245
   D110      -0.41417   0.00000   0.00005   0.00000   0.00009  -0.41409
   D111       2.61067  -0.00002  -0.00025  -0.00061  -0.00085   2.60982
   D112       0.42361  -0.00002   0.00000  -0.00033  -0.00033   0.42328
   D113       2.27388  -0.00002  -0.00097  -0.00076  -0.00172   2.27216
   D114       0.08682  -0.00002  -0.00072  -0.00049  -0.00119   0.08562
   D115      -1.61042   0.00001   0.00007  -0.00017  -0.00010  -1.61052
   D116       2.48570   0.00001   0.00032   0.00010   0.00042   2.48612
   D117      -1.77584   0.00001   0.00044   0.00007   0.00050  -1.77534
   D118       2.32028   0.00001   0.00069   0.00034   0.00102   2.32130
   D119      -2.73467   0.00000   0.00026  -0.00010   0.00016  -2.73451
   D120       1.36146   0.00000   0.00050   0.00017   0.00068   1.36213
   D121      -2.69874   0.00000   0.00112   0.00016   0.00129  -2.69746
   D122       1.39738   0.00000   0.00137   0.00043   0.00181   1.39919
   D123       1.34568   0.00001  -0.00301  -0.00137  -0.00438   1.34130
   D124      -0.84138   0.00001  -0.00277  -0.00110  -0.00386  -0.84524
   D125       1.31302   0.00001  -0.00243  -0.00108  -0.00351   1.30952
   D126      -0.87404   0.00001  -0.00219  -0.00080  -0.00299  -0.87702
   D127       1.66744   0.00001  -0.00217  -0.00091  -0.00308   1.66436
   D128      -0.51962   0.00001  -0.00192  -0.00063  -0.00256  -0.52218
   D129       1.79050   0.00002  -0.00259  -0.00098  -0.00357   1.78693
   D130      -0.39656   0.00002  -0.00234  -0.00071  -0.00305  -0.39961
   D131       0.91087   0.00001  -0.00210  -0.00095  -0.00305   0.90782
   D132      -1.27619   0.00001  -0.00186  -0.00068  -0.00253  -1.27872
   D133      -0.92562  -0.00001  -0.00537  -0.00197  -0.00734  -0.93296
   D134      -3.11269  -0.00001  -0.00512  -0.00170  -0.00682  -3.11950
   D135      -0.49206  -0.00001  -0.00538  -0.00219  -0.00758  -0.49964
   D136      -2.67912  -0.00001  -0.00513  -0.00192  -0.00706  -2.68618
   D137      -0.16372   0.00000  -0.00558  -0.00301  -0.00862  -0.17233
   D138      -2.35078   0.00000  -0.00533  -0.00274  -0.00810  -2.35887
   D139       0.24059  -0.00001  -0.00456  -0.00286  -0.00744   0.23315
   D140      -1.94647  -0.00001  -0.00432  -0.00259  -0.00692  -1.95339
   D141      -0.29285  -0.00001  -0.00463  -0.00171  -0.00634  -0.29920
   D142      -2.47991  -0.00001  -0.00438  -0.00144  -0.00582  -2.48574
   D143      -0.03532  -0.00001  -0.00420  -0.00148  -0.00569  -0.04101
   D144      -2.22238  -0.00001  -0.00395  -0.00121  -0.00517  -2.22755
   D145      -2.46390   0.00000   0.00193   0.00022   0.00214  -2.46176
   D146      -2.71374   0.00000   0.00178   0.00006   0.00184  -2.71190
   D147      -2.40251   0.00001   0.00072  -0.00040   0.00032  -2.40218
   D148       3.02167  -0.00001   0.00102  -0.00024   0.00079   3.02246
   D149       2.64543  -0.00001   0.00064  -0.00044   0.00022   2.64564
   D150       1.52400   0.00000  -0.00032  -0.00041  -0.00073   1.52327
   D151       2.62452   0.00000   0.00010  -0.00032  -0.00021   2.62431
   D152       2.99827   0.00000   0.00078  -0.00010   0.00068   2.99896
   D153       1.21998   0.00000  -0.00584  -0.00245  -0.00829   1.21169
   D154       1.27049   0.00000  -0.00348  -0.00151  -0.00499   1.26549
   D155       1.65743   0.00001  -0.00230  -0.00107  -0.00337   1.65405
   D156       1.72880   0.00001  -0.00211  -0.00096  -0.00308   1.72572
   D157       0.91431   0.00001  -0.00260  -0.00114  -0.00373   0.91058
   D158      -0.98996  -0.00001  -0.00466  -0.00133  -0.00600  -0.99596
   D159      -0.66131  -0.00001  -0.00461  -0.00137  -0.00599  -0.66730
   D160      -0.67990   0.00000  -0.00451  -0.00176  -0.00628  -0.68617
   D161      -0.36911   0.00000  -0.00479  -0.00174  -0.00652  -0.37563
   D162      -0.28578  -0.00001  -0.00465  -0.00124  -0.00589  -0.29168
   D163      -0.00266  -0.00002  -0.00484  -0.00130  -0.00614  -0.00880
   D164      -1.27685   0.00000   0.00151   0.00026   0.00176  -1.27510
   D165       1.67711   0.00000  -0.00024  -0.00027  -0.00051   1.67660
   D166      -1.64828   0.00000   0.00114   0.00014   0.00127  -1.64701
   D167       1.30568   0.00000  -0.00060  -0.00038  -0.00100   1.30469
   D168      -1.72860   0.00000   0.00069  -0.00016   0.00053  -1.72807
   D169       1.22537   0.00000  -0.00106  -0.00068  -0.00175   1.22362
   D170      -1.97823  -0.00002  -0.00116  -0.00107  -0.00219  -1.98042
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   D172      -1.99678  -0.00001   0.00131   0.00018   0.00148  -1.99530
   D173       0.95719  -0.00001  -0.00044  -0.00034  -0.00079   0.95639
   D174      -2.29970   0.00000   0.00129   0.00019   0.00148  -2.29822
   D175       0.65426   0.00000  -0.00045  -0.00034  -0.00079   0.65347
   D176       1.97301   0.00000   0.00083   0.00028   0.00111   1.97412
   D177      -1.35621   0.00000  -0.00092  -0.00024  -0.00116  -1.35737
   D178       0.82704   0.00000   0.00094   0.00028   0.00122   0.82826
   D179      -2.50218   0.00000  -0.00081  -0.00024  -0.00105  -2.50323
   D180       0.36035   0.00001   0.00119   0.00044   0.00163   0.36199
   D181      -2.96886   0.00001  -0.00055  -0.00008  -0.00064  -2.96950
   D182      -3.09743   0.00001  -0.00070  -0.00056  -0.00126  -3.09869
   D183      -0.14347   0.00001  -0.00245  -0.00108  -0.00353  -0.14700
   D184       2.91798   0.00001  -0.00066  -0.00037  -0.00104   2.91694
   D185      -0.41124   0.00001  -0.00241  -0.00089  -0.00331  -0.41455
   D186       3.06699   0.00001   0.00024   0.00004   0.00027   3.06726
   D187      -0.26223   0.00001  -0.00151  -0.00048  -0.00200  -0.26423
   D188       2.96941   0.00001   0.00016   0.00008   0.00022   2.96963
   D189      -0.35981   0.00001  -0.00158  -0.00044  -0.00205  -0.36186
   D190       2.47253   0.00001  -0.00110  -0.00048  -0.00158   2.47095
   D191      -0.85669   0.00001  -0.00284  -0.00100  -0.00386  -0.86054
   D192       0.30085  -0.00001  -0.00305  -0.00004  -0.00310   0.29775
   D193      -3.02837  -0.00001  -0.00480  -0.00056  -0.00537  -3.03374
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   D198       1.10183  -0.00002  -0.00504  -0.00108  -0.00613   1.09570
   D199      -2.22739  -0.00002  -0.00679  -0.00161  -0.00840  -2.23579
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   D201      -1.88399  -0.00002  -0.00675  -0.00173  -0.00850  -1.89249
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   D204       1.68273   0.00000  -0.00025   0.00020  -0.00005   1.68268
   D205      -0.53209   0.00000   0.00005   0.00011   0.00016  -0.53193
   D206       1.35891   0.00000   0.00217   0.00104   0.00320   1.36211
   D207      -0.85590   0.00000   0.00247   0.00095   0.00341  -0.85249
   D208       1.18620   0.00001   0.00486   0.00227   0.00716   1.19336
   D209      -1.02861   0.00001   0.00516   0.00218   0.00737  -1.02125
   D210       2.11236   0.00000   0.00033   0.00032   0.00064   2.11299
   D211      -0.10245   0.00000   0.00062   0.00023   0.00084  -0.10161
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   D213       0.01243  -0.00001   0.00053   0.00022   0.00075   0.01319
   D214      -2.23473   0.00000   0.00179   0.00086   0.00264  -2.23209
   D215       1.83364   0.00000   0.00209   0.00077   0.00285   1.83649
   D216      -2.40902   0.00000   0.00289   0.00136   0.00424  -2.40478
   D217       1.65936   0.00000   0.00319   0.00126   0.00444   1.66380
   D218      -2.03197   0.00000   0.00552   0.00222   0.00773  -2.02424
   D219       2.03641   0.00000   0.00582   0.00213   0.00794   2.04434
   D220      -2.18301   0.00002   0.01092   0.00462   0.01560  -2.16741
   D221       1.88537   0.00002   0.01122   0.00453   0.01580   1.90117
   D222      -2.89896   0.00000   0.00161   0.00098   0.00257  -2.89639
   D223       1.16941   0.00000   0.00191   0.00088   0.00277   1.17219
   D224       3.05019   0.00000   0.00089   0.00078   0.00165   3.05184
   D225       0.83538   0.00000   0.00119   0.00069   0.00186   0.83724
   D226      -2.71306  -0.00001   0.00016   0.00004   0.00020  -2.71286
   D227       1.35532  -0.00001   0.00046  -0.00006   0.00040   1.35572
   D228      -2.65722  -0.00001   0.00089   0.00034   0.00123  -2.65599
   D229       1.41115  -0.00001   0.00119   0.00024   0.00143   1.41259
   D230      -1.56493  -0.00001   0.00020   0.00017   0.00036  -1.56457
   D231       2.50344   0.00000   0.00050   0.00007   0.00057   2.50401
   D232      -0.01972   0.00001   0.00331   0.00000   0.00332  -0.01640
   D233      -2.23453   0.00001   0.00361  -0.00009   0.00352  -2.23101
   D234      -0.17515   0.00000   0.00316   0.00029   0.00345  -0.17170
   D235      -2.38996   0.00000   0.00346   0.00020   0.00366  -2.38630
   D236       0.08575   0.00000   0.00302   0.00067   0.00370   0.08945
   D237      -2.12906   0.00000   0.00332   0.00058   0.00390  -2.12516
   D238      -0.01038  -0.00001   0.00271   0.00023   0.00293  -0.00744
   D239      -2.22519  -0.00001   0.00301   0.00013   0.00314  -2.22205
   D240      -0.57926   0.00001   0.00333   0.00041   0.00375  -0.57551
   D241      -2.79407   0.00001   0.00363   0.00032   0.00395  -2.79012
   D242      -0.76980   0.00001   0.00375   0.00067   0.00442  -0.76538
   D243      -2.98461   0.00001   0.00405   0.00058   0.00462  -2.97998
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   D245      -0.01000   0.00000  -0.00239  -0.00073  -0.00314  -0.01314
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   D247      -0.20266   0.00000  -0.00103  -0.00022  -0.00126  -0.20393
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   D249      -0.58984   0.00000   0.00043   0.00025   0.00068  -0.58916
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   D251      -0.82983   0.00000   0.00147   0.00074   0.00223  -0.82760
   D252      -2.89624  -0.00001   0.00047   0.00036   0.00081  -2.89542
   D253       0.02334  -0.00001   0.00054   0.00018   0.00071   0.02405
   D254      -3.07074  -0.00003   0.00047   0.00039   0.00087  -3.06987
   D255      -0.15117  -0.00003   0.00055   0.00021   0.00077  -0.15040
   D256      -0.66178   0.00001   0.00022   0.00050   0.00070  -0.66107
   D257       2.25780   0.00001   0.00029   0.00032   0.00060   2.25840
   D258      -0.91394   0.00001   0.00091   0.00075   0.00165  -0.91229
   D259       2.00563   0.00001   0.00099   0.00057   0.00155   2.00718
   D260      -0.75576   0.00000   0.00167   0.00098   0.00264  -0.75312
   D261       2.16381   0.00000   0.00175   0.00080   0.00254   2.16635
   D262      -0.96623   0.00001   0.00226   0.00129   0.00355  -0.96268
   D263       1.95335   0.00001   0.00234   0.00111   0.00345   1.95679
   D264      -1.32194   0.00000   0.00077   0.00071   0.00146  -1.32048
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   D266      -1.56252   0.00000   0.00108   0.00082   0.00188  -1.56064
   D267       1.35705   0.00000   0.00116   0.00064   0.00178   1.35883
   D268       1.97608   0.00000  -0.00086  -0.00020  -0.00105   1.97503
   D269      -1.38753   0.00000  -0.00078  -0.00038  -0.00115  -1.38869
   D270       0.85587   0.00000  -0.00102  -0.00009  -0.00111   0.85477
   D271      -2.50774   0.00000  -0.00094  -0.00028  -0.00121  -2.50895
   D272       1.07541   0.00001   0.00233  -0.00145   0.00089   1.07629
   D273      -2.28820   0.00001   0.00240  -0.00163   0.00078  -2.28742
   D274       1.17220   0.00000   0.00178  -0.00042   0.00138   1.17358
   D275      -2.19141   0.00000   0.00186  -0.00060   0.00128  -2.19013
   D276       1.60276   0.00000   0.00199   0.00021   0.00223   1.60499
   D277      -1.76085   0.00000   0.00207   0.00003   0.00212  -1.75873
   D278       1.59176  -0.00001   0.00120  -0.00029   0.00092   1.59268
   D279      -1.77185  -0.00001   0.00128  -0.00047   0.00082  -1.77103
   D280       0.82733   0.00000   0.00114  -0.00015   0.00099   0.82832
   D281      -2.53628   0.00000   0.00121  -0.00033   0.00089  -2.53539
   D282       0.80142   0.00000   0.00148   0.00019   0.00167   0.80309
   D283      -2.56219   0.00000   0.00155   0.00001   0.00156  -2.56062
   D284       1.58595   0.00001  -0.00213  -0.00078  -0.00292   1.58304
   D285      -2.62716   0.00001  -0.00177  -0.00067  -0.00245  -2.62960
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   D287      -2.56833   0.00000   0.00093   0.00022   0.00114  -2.56719
   D288       1.32995   0.00000   0.00289   0.00090   0.00379   1.33374
   D289      -2.88316   0.00000   0.00325   0.00101   0.00426  -2.87890
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   D291      -2.97879   0.00001   0.00539   0.00195   0.00734  -2.97145
   D292       2.04111  -0.00001   0.00177   0.00038   0.00215   2.04326
   D293      -2.17200  -0.00001   0.00214   0.00049   0.00262  -2.16938
   D294       2.02204  -0.00002   0.00160   0.00035   0.00197   2.02401
   D295      -2.19107  -0.00002   0.00197   0.00046   0.00243  -2.18864
   D296      -2.30270   0.00001   0.00321   0.00087   0.00408  -2.29861
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   D300      -1.89675   0.00000   0.00457   0.00133   0.00589  -1.89086
   D301       0.17332   0.00000   0.00493   0.00144   0.00636   0.17969
   D302      -1.84228   0.00001   0.00571   0.00181   0.00751  -1.83477
   D303       0.22779   0.00001   0.00608   0.00192   0.00798   0.23577
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   D305      -0.56174   0.00000   0.00473   0.00144   0.00616  -0.55558
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   D307      -0.69115  -0.00001   0.00585   0.00184   0.00770  -0.68345
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   D309      -2.68434   0.00000   0.00139   0.00017   0.00156  -2.68278
   D310       2.62843   0.00000   0.00096   0.00006   0.00103   2.62946
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   D318       0.15103   0.00000   0.00284  -0.00018   0.00267   0.15370
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   D320       0.28977  -0.00001   0.00256  -0.00057   0.00199   0.29177
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   D392       1.78753  -0.00001  -0.00010  -0.00034  -0.00044   1.78709
   D393      -0.95555  -0.00001   0.00411   0.00317   0.00729  -0.94826
   D394       2.08569  -0.00001  -0.00059  -0.00047  -0.00106   2.08463
   D395      -0.65738  -0.00001   0.00362   0.00305   0.00667  -0.65072
   D396       2.02728  -0.00001  -0.00186  -0.00064  -0.00251   2.02477
   D397      -0.71580  -0.00001   0.00235   0.00288   0.00522  -0.71058
   D398       2.21979  -0.00001  -0.00174  -0.00029  -0.00204   2.21775
   D399      -0.52329  -0.00001   0.00247   0.00323   0.00569  -0.51760
   D400       2.48927  -0.00001  -0.00025  -0.00048  -0.00073   2.48854
   D401      -0.25381  -0.00001   0.00397   0.00303   0.00700  -0.24681
   D402      -1.49514   0.00001   0.00047  -0.00114  -0.00068  -1.49582
   D403       2.04497   0.00001   0.00468   0.00237   0.00705   2.05201
   D404      -2.59905   0.00002   0.00117  -0.00093   0.00023  -2.59881
   D405       0.94106   0.00002   0.00538   0.00259   0.00797   0.94902
   D406      -2.97023   0.00001   0.00068  -0.00095  -0.00027  -2.97050
   D407       0.56987   0.00001   0.00490   0.00257   0.00747   0.57734
   D408       1.87640  -0.00001   0.00117   0.00097   0.00218   1.87858
   D409       2.36674  -0.00001  -0.00074   0.00061  -0.00007   2.36667
   D410       2.59638   0.00000   0.00102   0.00127   0.00231   2.59868
   D411       2.82355   0.00001   0.00307   0.00206   0.00508   2.82863
   D412       2.78315  -0.00001  -0.00643  -0.00042  -0.00684   2.77631
   D413      -3.00682  -0.00002  -0.00404   0.00037  -0.00370  -3.01052
   D414      -0.78868   0.00000   0.00275   0.00142   0.00418  -0.78450
   D415      -0.40887   0.00000   0.00356   0.00160   0.00516  -0.40371
   D416      -0.09735   0.00000   0.00206   0.00125   0.00330  -0.09405
   D417       0.21105   0.00000   0.00238   0.00132   0.00369   0.21474
   D418      -0.27518   0.00001   0.00581   0.00209   0.00790  -0.26728
   D419       0.04216   0.00001   0.00693   0.00213   0.00903   0.05119
   D420      -2.59675  -0.00001   0.00086   0.00105   0.00192  -2.59483
   D421      -2.21469   0.00000   0.00112   0.00107   0.00219  -2.21250
   D422      -1.97526   0.00000   0.00039   0.00107   0.00147  -1.97379
   D423      -1.66017   0.00000   0.00103   0.00126   0.00230  -1.65787
   D424      -1.99490  -0.00001   0.00189   0.00104   0.00293  -1.99197
   D425       1.35221   0.00000   0.00045  -0.00016   0.00030   1.35251
   D426       2.49551   0.00001   0.00153   0.00001   0.00152   2.49704
   D427       2.95077   0.00002   0.00178   0.00052   0.00230   2.95307
   D428      -3.06246   0.00003  -0.00740  -0.00073  -0.00812  -3.07058
   D429       0.02536   0.00003   0.00073   0.00068   0.00141   0.02677
   D430       0.05149   0.00001  -0.00812  -0.00119  -0.00930   0.04219
   D431       3.13931   0.00000   0.00001   0.00022   0.00023   3.13953
   D432      -0.11608   0.00003   0.00854   0.00288   0.01142  -0.10465
   D433       1.98270   0.00003   0.00941   0.00317   0.01258   1.99527
   D434      -2.21289   0.00001   0.00897   0.00288   0.01184  -2.20105
   D435       3.07660   0.00004   0.00082   0.00153   0.00235   3.07896
   D436      -1.10781   0.00003   0.00169   0.00181   0.00351  -1.10430
   D437       0.97979   0.00002   0.00125   0.00152   0.00277   0.98256
   D438      -2.36821   0.00002  -0.00701  -0.00057  -0.00758  -2.37579
   D439      -0.27848   0.00004  -0.00720  -0.00047  -0.00767  -0.28615
   D440       1.82889   0.00001  -0.00737  -0.00052  -0.00788   1.82101
   D441       0.72219   0.00001   0.00075   0.00080   0.00153   0.72372
   D442       2.81192   0.00003   0.00057   0.00089   0.00144   2.81336
   D443      -1.36389   0.00001   0.00040   0.00085   0.00123  -1.36266
   D444      -0.00400   0.00001   0.00148   0.00050   0.00198  -0.00202
   D445       3.11604   0.00000   0.00004  -0.00027  -0.00024   3.11580
   D446      -3.12416   0.00002   0.00133   0.00088   0.00221  -3.12195
   D447      -0.00411   0.00002  -0.00010   0.00010   0.00000  -0.00412
   D448       2.44210  -0.00001  -0.00148  -0.00115  -0.00263   2.43947
   D449      -1.75579  -0.00001  -0.00154  -0.00119  -0.00273  -1.75852
   D450       0.35277  -0.00002  -0.00157  -0.00125  -0.00282   0.34995
   D451      -0.67898  -0.00001  -0.00012  -0.00042  -0.00053  -0.67951
   D452       1.40631  -0.00001  -0.00017  -0.00045  -0.00062   1.40569
   D453      -2.76831  -0.00002  -0.00020  -0.00052  -0.00072  -2.76903
   D454       2.05607   0.00000  -0.00015  -0.00001  -0.00016   2.05591
   D455      -2.14260   0.00000  -0.00035  -0.00001  -0.00036  -2.14296
   D456      -0.04945   0.00001  -0.00044   0.00003  -0.00041  -0.04986
   D457      -1.10603   0.00000  -0.00152  -0.00074  -0.00226  -1.10829
   D458       0.97848   0.00000  -0.00172  -0.00074  -0.00246   0.97602
   D459       3.07163   0.00001  -0.00180  -0.00070  -0.00251   3.06912
   D460      -3.08200   0.00002   0.00015   0.00008   0.00023  -3.08177
   D461      -0.02612   0.00001   0.00171   0.00023   0.00195  -0.02417
   D462       0.07271   0.00001   0.00028  -0.00006   0.00022   0.07293
   D463       3.12860   0.00001   0.00184   0.00009   0.00194   3.13053
   D464       1.93241  -0.00002  -0.00163  -0.00095  -0.00257   1.92983
   D465      -2.26799  -0.00001  -0.00138  -0.00083  -0.00221  -2.27020
   D466      -0.17507  -0.00001  -0.00184  -0.00097  -0.00281  -0.17787
   D467      -1.12690  -0.00002  -0.00311  -0.00108  -0.00419  -1.13109
   D468       0.95589   0.00000  -0.00286  -0.00096  -0.00382   0.95207
   D469       3.04881  -0.00001  -0.00331  -0.00111  -0.00442   3.04439
   D470      -1.63118  -0.00001   0.00114   0.00043   0.00157  -1.62960
   D471       0.47316  -0.00002   0.00124   0.00038   0.00162   0.47478
   D472       2.56376  -0.00001   0.00091   0.00036   0.00128   2.56505
   D473       1.42850  -0.00002   0.00260   0.00057   0.00318   1.43168
   D474      -2.75035  -0.00003   0.00270   0.00052   0.00323  -2.74712
   D475      -0.65974  -0.00001   0.00237   0.00050   0.00289  -0.65685
   D476       0.00776   0.00002   0.00177  -0.00174   0.00003   0.00779
   D477      -3.09833   0.00004   0.00077  -0.00109  -0.00032  -3.09865
   D478       3.12485  -0.00004   0.00198  -0.00235  -0.00037   3.12447
   D479       0.01876  -0.00001   0.00098  -0.00170  -0.00072   0.01803
   D480      -0.28989   0.00001   0.00225  -0.00265  -0.00040  -0.29029
   D481       1.81724   0.00000   0.00369  -0.00266   0.00103   1.81827
   D482      -2.38266   0.00002   0.00208  -0.00217  -0.00010  -2.38276
   D483       2.81784  -0.00001   0.00322  -0.00328  -0.00007   2.81778
   D484      -1.35820  -0.00002   0.00465  -0.00328   0.00136  -1.35684
   D485       0.72508   0.00000   0.00304  -0.00280   0.00023   0.72531
   D486       0.02339  -0.00001   0.00392   0.00038   0.00430   0.02769
   D487       2.11458  -0.00001   0.00310   0.00027   0.00337   2.11796
   D488      -2.08293  -0.00002   0.00297   0.00043   0.00340  -2.07953
   D489      -3.08445   0.00001   0.00294   0.00101   0.00395  -3.08050
   D490      -0.99326   0.00001   0.00213   0.00090   0.00302  -0.99024
   D491       1.09242   0.00000   0.00199   0.00105   0.00305   1.09547
         Item               Value     Threshold  Converged?
 Maximum Force            0.000056     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.048576     0.001800     NO 
 RMS     Displacement     0.004396     0.001200     NO 
 Predicted change in Energy=-5.147014D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:49:56 2016, MaxMem=  2952790016 cpu:         5.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.842102   -0.617956    1.690555
      2          6           0       -2.127991    1.083902   -1.342526
      3          8           0       -2.669643    0.098555   -1.873321
      4          7           0       -0.834060    1.145112   -0.925528
      5          1           0       -2.685570    2.018641   -1.132714
      6          6           0       -0.305689    2.319591   -0.230530
      7          1           0       -1.064350    3.114467   -0.219002
      8          1           0       -0.037827    2.053254    0.804719
      9          1           0        0.596669    2.683804   -0.748027
     10          6           0        0.087264    0.019368   -1.099618
     11          1           0        0.665914   -0.120729   -0.173009
     12          1           0       -0.486434   -0.891983   -1.313347
     13          1           0        0.787097    0.218447   -1.927980
     14          6           0       -1.979022   -4.040092    2.610904
     15          8           0       -2.116778   -3.897916    3.838000
     16          7           0       -2.912856   -3.733755    1.669639
     17          1           0       -1.039508   -4.423205    2.165456
     18          6           0       -4.222560   -3.187247    2.033855
     19          1           0       -4.493987   -2.403141    1.309325
     20          1           0       -4.994100   -3.974842    2.009942
     21          1           0       -4.170730   -2.755149    3.041713
     22          6           0       -2.649413   -3.905849    0.240617
     23          1           0       -3.346913   -4.642596   -0.190700
     24          1           0       -2.789837   -2.943987   -0.279840
     25          1           0       -1.615927   -4.249710    0.094309
     26          6           0        1.531531    0.378334    2.631812
     27          8           0        1.353982    1.391314    3.329574
     28          7           0        1.163038   -0.887152    2.970305
     29          1           0        2.010924    0.427407    1.634236
     30          6           0        1.479373   -2.032243    2.116192
     31          1           0        2.236852   -2.673206    2.597874
     32          1           0        0.571503   -2.633745    1.948960
     33          1           0        1.859748   -1.675620    1.149176
     34          6           0        0.523433   -1.172532    4.257363
     35          1           0        1.274310   -1.463158    5.011807
     36          1           0       -0.011547   -0.278108    4.601174
     37          1           0       -0.187131   -2.001493    4.126155
     38          6           0       -4.579447    1.273006    2.882255
     39          8           0       -4.816186    1.926924    1.852567
     40          7           0       -3.484639    1.415549    3.678933
     41          1           0       -5.256582    0.469999    3.237764
     42          6           0       -2.441385    2.402787    3.389765
     43          1           0       -2.538520    2.739646    2.349879
     44          1           0       -2.528534    3.266411    4.070131
     45          1           0       -1.453434    1.938778    3.537158
     46          6           0       -3.270658    0.558043    4.845088
     47          1           0       -4.085389   -0.175723    4.918368
     48          1           0       -2.311708    0.023465    4.741405
     49          1           0       -3.236414    1.164464    5.765068
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489647   0.000000
     3  O    3.728193   1.243398   0.000000
     4  N    3.311865   1.360843   2.315807   0.000000
     5  H    3.953977   1.108445   2.058029   2.057685   0.000000
     6  C    3.831490   2.466626   3.635937   1.463420   2.562877
     7  H    4.264069   2.552809   3.795980   2.104892   2.159643
     8  H    3.342974   3.149459   4.233108   2.110086   3.281065
     9  H    4.774505   3.215103   4.314927   2.108569   3.370981
    10  C    3.451623   2.469736   2.864511   1.465076   3.418596
    11  H    3.163898   3.259572   3.750344   2.102037   4.090279
    12  H    3.307016   2.568985   2.461938   2.102619   3.652473
    13  H    4.550391   3.096693   3.459250   2.119380   3.991561
    14  C    3.546379   6.473570   6.141142   6.379940   7.156964
    15  O    3.930026   7.187244   6.992612   7.054693   7.748365
    16  N    3.294716   5.735762   5.224779   5.904204   6.402726
    17  H    3.917858   6.619590   6.278166   6.372013   7.421916
    18  C    3.519331   5.833514   5.336110   6.245736   6.284168
    19  H    3.219428   4.978927   4.440264   5.565944   5.365266
    20  H    4.615819   6.711521   6.088956   7.220585   7.150345
    21  H    3.437402   6.175164   5.878303   6.487249   6.513111
    22  C    3.682976   5.260783   4.528178   5.492505   6.081688
    23  H    4.690555   5.967014   5.076260   6.352320   6.759944
    24  H    3.192347   4.217966   3.436668   4.578505   5.036462
    25  H    3.973512   5.547443   4.887667   5.545763   6.476260
    26  C    3.641422   5.448421   6.166389   4.340349   5.886102
    27  O    4.115641   5.834995   6.703052   4.791037   6.051738
    28  N    3.277361   5.772040   6.254740   4.826595   6.331681
    29  H    3.992714   5.140303   5.858225   3.893767   5.678476
    30  C    3.635048   5.889496   6.137658   4.969871   6.656711
    31  H    4.656731   6.978142   7.193604   6.035264   7.756349
    32  H    3.155261   5.651730   5.707917   4.951571   6.461419
    33  H    3.887858   5.452119   5.727002   4.417864   6.286056
    34  C    3.534376   6.593960   7.028277   5.837518   7.038055
    35  H    4.632181   7.644653   8.086946   6.819109   8.096834
    36  H    3.455159   6.454609   7.009025   5.765979   6.730744
    37  H    3.253498   6.572144   6.823985   5.986580   7.075265
    38  C    3.533969   4.888166   5.257584   5.342611   4.501413
    39  O    3.917631   4.259777   4.672561   4.917964   3.668766
    40  N    3.284313   5.212057   5.764219   5.319753   4.914690
    41  H    3.903354   5.580682   5.740507   6.111259   5.301837
    42  C    3.517292   4.922626   5.749927   4.773572   4.545329
    43  H    3.491876   4.067416   4.982768   4.021941   3.559484
    44  H    4.606721   5.849841   6.736456   5.685750   5.352680
    45  H    3.177718   4.999716   5.842848   4.574833   4.830347
    46  C    3.657160   6.314173   6.760870   6.291396   6.181407
    47  H    3.955588   6.679585   6.943097   6.816661   6.587133
    48  H    3.152719   6.178390   6.624829   5.962858   6.214965
    49  H    4.660770   7.193955   7.733200   7.108851   6.972263
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098875   0.000000
     8  H    1.102010   1.796643   0.000000
     9  H    1.102136   1.795640   1.791981   0.000000
    10  C    2.490132   3.417798   2.789057   2.735385   0.000000
    11  H    2.627258   3.669117   2.485438   2.863712   1.101393
    12  H    3.394020   4.193235   3.655390   3.778750   1.097893
    13  H    2.913817   3.838672   3.393326   2.739807   1.102535
    14  C    7.163753   7.748077   6.645254   7.945273   5.875093
    15  O    7.647900   8.169478   6.995659   8.468380   6.677049
    16  N    6.859370   7.340441   6.519459   7.703696   5.545758
    17  H    7.193368   7.905869   6.693242   7.853345   5.627324
    18  C    7.127032   7.400084   6.818036   8.089071   6.218972
    19  H    6.497475   6.673993   6.322297   7.484950   5.714841
    20  H    8.162156   8.406510   7.896527   9.121439   7.172401
    21  H    7.169317   7.398259   6.723523   8.165318   6.555843
    22  C    6.668668   7.211693   6.530659   7.412017   4.969201
    23  H    7.597544   8.085971   7.534940   8.338980   5.861195
    24  H    5.820539   6.299672   5.807086   6.584804   4.210845
    25  H    6.706561   7.391448   6.536240   7.326576   4.748826
    26  C    3.916230   4.727807   2.933685   4.196721   4.017254
    27  O    4.036156   4.627092   2.958072   4.344063   4.806720
    28  N    4.762952   5.580851   3.844194   5.186376   4.306198
    29  H    3.524828   4.484651   2.743876   3.573041   3.367629
    30  C    5.256616   6.197764   4.551170   5.587845   4.060604
    31  H    6.276337   7.233940   5.543374   6.525550   5.053922
    32  H    5.482261   6.357517   4.862976   5.962441   4.070298
    33  H    4.749149   5.776434   4.198087   4.919280   3.327425
    34  C    5.746612   6.398223   4.758304   6.319068   5.505281
    35  H    6.654900   7.333849   5.637947   7.129668   6.399725
    36  H    5.493626   5.987658   4.455222   6.144655   5.709403
    37  H    6.137307   6.769265   5.243587   6.806173   5.609623
    38  C    5.389784   5.036335   5.054824   6.477767   6.261398
    39  O    4.983780   4.447238   4.893533   6.052682   6.033075
    40  N    5.119269   4.892649   4.533022   6.153334   6.127183
    41  H    6.321503   6.042950   5.971751   7.419434   6.897293
    42  C    4.204123   3.927583   3.547073   5.141017   5.677087
    43  H    3.438094   2.985434   3.018629   4.407896   5.117977
    44  H    4.932869   4.534708   4.282323   5.772431   6.641686
    45  H    3.956996   3.955044   3.079492   4.808409   5.249532
    46  C    6.136448   6.086715   5.386226   7.124465   6.848748
    47  H    6.857395   6.807686   6.186534   7.887115   7.325657
    48  H    5.832363   5.976273   4.978763   6.757953   6.314479
    49  H    6.772789   6.658038   5.968750   7.708523   7.712458
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795302   0.000000
    13  H    1.791550   1.797974   0.000000
    14  C    5.487008   5.247680   6.810876   0.000000
    15  O    6.172414   6.183043   7.656595   1.242962   0.000000
    16  N    5.408965   4.781359   6.500185   1.360834   2.315702
    17  H    5.185382   4.987734   6.452724   1.108099   2.057629
    18  C    6.178265   5.516397   7.238201   2.468561   2.862570
    19  H    5.833634   5.022199   6.726270   3.270897   3.778845
    20  H    7.187156   6.392755   8.155559   3.075079   3.409794
    21  H    6.377125   6.000998   7.623659   2.576871   2.481675
    22  C    5.048724   4.022023   5.789839   2.466922   3.636609
    23  H    6.045691   4.848688   6.613465   3.175394   4.277640
    24  H    4.463677   3.253386   5.050921   3.196133   4.280140
    25  H    4.725118   3.812031   5.461557   2.551280   3.793393
    26  C    2.977478   4.609790   4.622926   5.643306   5.749031
    27  O    3.876571   5.491565   5.416535   6.412922   6.346701
    28  N    3.273372   4.590257   5.035562   4.465729   4.535943
    29  H    2.318543   4.082380   3.772373   6.068945   6.372042
    30  C    3.091285   4.114161   4.679763   4.029477   4.402005
    31  H    4.081762   5.087896   5.562985   4.431945   4.689554
    32  H    3.290428   3.846506   4.817898   2.986830   3.520433
    33  H    2.364550   3.490368   3.769212   4.739570   5.289719
    34  C    4.555742   5.668452   6.345299   4.146807   3.817629
    35  H    5.390230   6.590450   7.157222   4.794694   4.336513
    36  H    4.824577   5.965225   6.596533   4.688780   4.256458
    37  H    4.769462   5.559566   6.521488   3.108495   2.720843
    38  C    6.228237   6.248440   7.283560   5.921558   5.806601
    39  O    6.192678   6.059373   6.971959   6.650553   6.719933
    40  N    5.867256   6.263928   7.149704   5.759478   5.489012
    41  H    6.859904   6.732156   7.954511   5.610372   5.412701
    42  C    5.358805   6.066021   6.593395   6.506235   6.324962
    43  H    4.981476   5.551487   5.976308   6.807791   6.815394
    44  H    6.299321   7.102412   7.500722   7.471030   7.179903
    45  H    4.743263   5.698745   6.152013   6.072979   5.881966
    46  C    6.413940   6.912366   7.902858   5.272831   4.711819
    47  H    6.964195   7.231858   8.412429   4.969358   4.347107
    48  H    5.747912   6.389812   7.356719   4.600240   4.028817
    49  H    7.220848   7.867358   8.733074   6.214273   5.531262
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056844   0.000000
    18  C    1.465145   3.417123   0.000000
    19  H    2.097697   4.092315   1.101562   0.000000
    20  H    2.122618   3.982965   1.102793   1.791988   0.000000
    21  H    2.102975   3.654420   1.097803   1.797101   1.797259
    22  C    1.463257   2.562120   2.491361   2.608202   2.938167
    23  H    2.115481   3.305106   2.798829   2.929336   2.828771
    24  H    2.106973   3.351300   2.732226   2.392089   3.341338
    25  H    2.104733   2.156853   3.418363   3.628954   3.893232
    26  C    6.130874   5.466489   6.795622   6.767011   7.868972
    27  O    6.872235   6.394732   7.330752   7.257963   8.416365
    28  N    5.138851   4.242954   5.930602   6.087611   6.954601
    29  H    6.446715   5.754631   7.216768   7.101509   8.281987
    30  C    4.731408   3.473311   5.818320   6.039008   6.759499
    31  H    5.339089   3.739521   6.504333   6.858388   7.370657
    32  H    3.664532   2.417518   4.826656   5.110919   5.725224
    33  H    5.223461   4.121618   6.329466   6.397255   7.280286
    34  C    5.006422   4.169620   5.614936   5.948094   6.583845
    35  H    5.818767   4.713528   6.485079   6.918467   7.390041
    36  H    5.380797   4.916427   5.725979   5.953511   6.723552
    37  H    4.057681   3.230414   4.697703   5.161866   5.610652
    38  C    5.414390   6.744760   4.554229   3.999433   5.335988
    39  O    5.974898   7.394953   5.151698   4.375887   5.906543
    40  N    5.556935   6.508481   4.943332   4.606106   5.841259
    41  H    5.061977   6.548053   3.986734   3.543355   4.618772
    42  C    6.390482   7.075193   6.021591   5.624798   7.006741
    43  H    6.519798   7.320347   6.169596   5.599541   7.157498
    44  H    7.410289   8.060718   6.976091   6.605216   7.922066
    45  H    6.147777   6.521329   6.016985   5.749823   7.059717
    46  C    5.350797   6.080402   4.778738   4.771453   5.617414
    47  H    4.958695   5.907369   4.172349   4.260696   4.870112
    48  H    4.890176   5.294042   4.614201   4.736025   5.535573
    49  H    6.392947   7.000403   5.816512   5.844907   6.603248
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388901   0.000000
    23  H    3.832705   1.102423   0.000000
    24  H    3.602116   1.102621   1.789847   0.000000
    25  H    4.177071   1.098973   1.797750   1.795261   0.000000
    26  C    6.519395   6.446109   7.548213   6.179786   6.145258
    27  O    6.913643   7.323166   8.420144   6.999567   7.149018
    28  N    5.651866   5.576604   6.665956   5.515363   5.225016
    29  H    7.093836   6.514448   7.598799   6.170680   6.115623
    30  C    5.770862   4.906633   5.952204   4.979799   4.311154
    31  H    6.423458   5.563421   6.544699   5.798462   4.857686
    32  H    4.868020   3.861474   4.895673   4.045047   3.291796
    33  H    6.412000   5.111940   6.140646   5.026876   4.451854
    34  C    5.100750   5.802777   6.841505   5.890842   5.601509
    35  H    5.932872   6.642785   7.650530   6.834594   6.348239
    36  H    5.085907   6.255661   7.289409   6.216921   6.217676
    37  H    4.196794   4.978635   5.966145   5.203380   4.832362
    38  C    4.051976   6.125669   6.779125   5.566380   6.859700
    39  O    4.873652   6.427637   7.035076   5.690257   7.175231
    40  N    4.274516   6.390375   7.189864   5.929603   6.959653
    41  H    3.408678   5.910014   6.445140   5.487593   6.738793
    42  C    5.451246   7.054027   7.954693   6.494260   7.469748
    43  H    5.773692   6.973083   7.848920   6.267557   7.402018
    44  H    6.325633   8.131488   9.020910   7.586803   8.551730
    45  H    5.446294   6.815953   7.797222   6.340098   7.083573
    46  C    3.878083   6.443091   7.239587   6.225777   6.958630
    47  H    3.191011   6.152821   6.826483   6.030183   6.779908
    48  H    3.750415   5.984200   6.868001   5.852118   6.351350
    49  H    4.863432   7.521449   8.318974   7.322549   8.006046
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242789   0.000000
    28  N    1.360816   2.314507   0.000000
    29  H    1.107874   2.057878   2.057197   0.000000
    30  C    2.465657   3.634386   1.463151   2.562169   0.000000
    31  H    3.132176   4.223170   2.117019   3.254757   1.103008
    32  H    3.234279   4.326600   2.107996   3.397299   1.101816
    33  H    2.554341   3.796843   2.103235   2.163529   1.098629
    34  C    2.462491   2.850247   1.465283   3.413683   2.497506
    35  H    3.020204   3.314252   2.124122   3.940155   2.958124
    36  H    2.586579   2.503718   2.100076   3.659353   3.387472
    37  H    3.294000   3.810605   2.097784   4.115904   2.611155
    38  C    6.181198   5.951443   6.135973   6.760590   6.944121
    39  O    6.580187   6.367056   6.702200   6.993258   7.441677
    40  N    5.228216   4.851278   5.235025   5.946296   6.242663
    41  H    6.815722   6.675089   6.566956   7.442430   7.272704
    42  C    4.522938   3.928297   4.898113   5.177554   6.055066
    43  H    4.713873   4.234310   5.219208   5.153255   6.242516
    44  H    5.185931   4.374740   5.664752   5.882195   6.925095
    45  H    3.487786   2.867820   3.892702   4.231682   5.137072
    46  C    5.290738   4.937451   5.026039   6.182374   6.059641
    47  H    6.089754   5.879339   5.643320   6.950850   6.501186
    48  H    4.398500   4.159515   4.004982   5.338804   5.048760
    49  H    5.759219   5.201426   5.601340   6.718749   6.765492
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787746   0.000000
    33  H    1.798920   1.793665   0.000000
    34  C    2.818107   2.732431   3.420477   0.000000
    35  H    2.866666   3.353393   3.912518   1.103388   0.000000
    36  H    3.847727   3.594887   4.167862   1.097454   1.796216
    37  H    2.943218   2.390700   3.627438   1.099679   1.791646
    38  C    7.881332   6.531924   7.291171   5.823312   6.803532
    39  O    8.453521   7.059475   7.618475   6.625798   7.652946
    40  N    7.114919   5.986809   6.672141   4.805974   5.719362
    41  H    8.151120   6.727616   7.720624   6.094757   7.038244
    42  C    6.948287   6.043184   6.336670   4.725016   5.602048
    43  H    7.222510   6.221440   6.346733   5.321578   6.267942
    44  H    7.755997   6.994387   7.225833   5.390156   6.141433
    45  H    5.980874   5.246972   5.453760   3.755921   4.603079
    46  C    6.769314   5.773844   6.705973   4.211347   4.976925
    47  H    7.182815   6.045320   7.197301   4.761491   5.512947
    48  H    5.705800   4.813670   5.761254   3.114921   3.891361
    49  H    7.396990   6.594642   7.439314   4.676663   5.274318
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796255   0.000000
    38  C    5.121166   5.618013   0.000000
    39  O    5.958318   6.483040   1.242542   0.000000
    40  N    3.972577   4.769670   1.361476   2.317355   0.000000
    41  H    5.470735   5.709365   1.108927   2.057996   2.056326
    42  C    3.815602   5.002162   2.470886   2.868641   1.465141
    43  H    4.534397   5.582346   2.569015   2.468927   2.101133
    44  H    4.379594   5.765078   3.096927   3.456178   2.119638
    45  H    2.850569   4.180452   3.262531   3.761129   2.102300
    46  C    3.373492   4.071392   2.465119   3.635611   1.463223
    47  H    4.087454   4.376923   2.547286   3.788710   2.104577
    48  H    2.324081   2.998803   3.187543   4.270943   2.107727
    49  H    3.719601   4.691210   3.182158   4.287737   2.115802
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418202   0.000000
    43  H    3.650685   1.097393   0.000000
    44  H    3.994371   1.102878   1.799124   0.000000
    45  H    4.087895   1.101398   1.796785   1.789556   0.000000
    46  C    2.556391   2.491734   3.394332   2.913171   2.630478
    47  H    2.147808   3.418785   4.182023   3.871898   3.647745
    48  H    3.336557   2.739512   3.626084   3.318784   2.419767
    49  H    3.309173   2.794205   3.825150   2.791432   2.956715
                   46         47         48         49
    46  C    0.000000
    47  H    1.098894   0.000000
    48  H    1.102774   1.793581   0.000000
    49  H    1.102398   1.798266   1.790208   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143697      0.1929718      0.1845369
 Leave Link  202 at Mon Nov 14 01:49:56 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0713184648 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840428005 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8872756643 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4035
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.37D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     219
 GePol: Fraction of low-weight points (<1% of avg)   =       5.43%
 GePol: Cavity surface area                          =    466.833 Ang**2
 GePol: Cavity volume                                =    457.951 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040249884 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8832506759 Hartrees.
 Leave Link  301 at Mon Nov 14 01:49:56 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37506.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:49:57 2016, MaxMem=  2952790016 cpu:        15.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:49:58 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.002414   -0.000338    0.002581
         Rot=    1.000000   -0.000090    0.000156   -0.000151 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50883801761    
 Leave Link  401 at Mon Nov 14 01:50:05 2016, MaxMem=  2952790016 cpu:        81.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48843675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.09D-14 for   1976.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.06D-14 for   1871    690.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.22D-15 for   3604.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.02D-09 for   3829   3778.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.55D-15 for   2000.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.18D-14 for   2272    103.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   2637.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.24D-16 for   2416    151.
 E= -1013.45108379691    
 DIIS: error= 3.05D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45108379691     IErMin= 1 ErrMin= 3.05D-04
 ErrMax= 3.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-04 BMatP= 1.11D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.05D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.04D-05 MaxDP=1.78D-03              OVMax= 2.73D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.04D-05    CP:  1.00D+00
 E= -1013.45126527233     Delta-E=       -0.000181475419 Rises=F Damp=F
 DIIS: error= 3.28D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45126527233     IErMin= 2 ErrMin= 3.28D-05
 ErrMax= 3.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-06 BMatP= 1.11D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.189D-01 0.981D+00
 Coeff:      0.189D-01 0.981D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=6.23D-04 DE=-1.81D-04 OVMax= 6.77D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  1.00D+00  9.72D-01
 E= -1013.45126033843     Delta-E=        0.000004933899 Rises=F Damp=F
 DIIS: error= 8.96D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45126527233     IErMin= 2 ErrMin= 3.28D-05
 ErrMax= 8.96D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.77D-06 BMatP= 1.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.234D-02 0.698D+00 0.299D+00
 Coeff:      0.234D-02 0.698D+00 0.299D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.75D-06 MaxDP=5.21D-04 DE= 4.93D-06 OVMax= 6.96D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.77D-06    CP:  1.00D+00  9.78D-01  3.55D-01
 E= -1013.45126641160     Delta-E=       -0.000006073169 Rises=F Damp=F
 DIIS: error= 2.11D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45126641160     IErMin= 4 ErrMin= 2.11D-05
 ErrMax= 2.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-07 BMatP= 1.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.265D-04 0.279D+00 0.190D+00 0.531D+00
 Coeff:      0.265D-04 0.279D+00 0.190D+00 0.531D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.86D-06 MaxDP=1.10D-04 DE=-6.07D-06 OVMax= 2.09D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.07D-06    CP:  1.00D+00  9.81D-01  4.01D-01  6.18D-01
 E= -1013.45126664817     Delta-E=       -0.000000236568 Rises=F Damp=F
 DIIS: error= 1.25D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45126664817     IErMin= 5 ErrMin= 1.25D-05
 ErrMax= 1.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.18D-08 BMatP= 3.18D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.223D-04 0.142D+00 0.110D+00 0.370D+00 0.379D+00
 Coeff:     -0.223D-04 0.142D+00 0.110D+00 0.370D+00 0.379D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.32D-07 MaxDP=4.32D-05 DE=-2.37D-07 OVMax= 5.52D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.08D-07    CP:  1.00D+00  9.81D-01  3.92D-01  6.35D-01  6.13D-01
 E= -1013.45126669378     Delta-E=       -0.000000045612 Rises=F Damp=F
 DIIS: error= 4.82D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45126669378     IErMin= 6 ErrMin= 4.82D-07
 ErrMax= 4.82D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-10 BMatP= 5.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.161D-04 0.313D-01 0.258D-01 0.910D-01 0.118D+00 0.734D+00
 Coeff:     -0.161D-04 0.313D-01 0.258D-01 0.910D-01 0.118D+00 0.734D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.21D-08 MaxDP=4.74D-06 DE=-4.56D-08 OVMax= 3.15D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.36D-08    CP:  1.00D+00  9.81D-01  3.94D-01  6.40D-01  6.10D-01
                    CP:  9.19D-01
 E= -1013.45126669391     Delta-E=       -0.000000000133 Rises=F Damp=F
 DIIS: error= 2.36D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45126669391     IErMin= 7 ErrMin= 2.36D-07
 ErrMax= 2.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.59D-11 BMatP= 2.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.986D-05 0.855D-02 0.751D-02 0.273D-01 0.414D-01 0.400D+00
 Coeff-Com:  0.515D+00
 Coeff:     -0.986D-05 0.855D-02 0.751D-02 0.273D-01 0.414D-01 0.400D+00
 Coeff:      0.515D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.10D-08 MaxDP=1.01D-06 DE=-1.33D-10 OVMax= 1.71D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.92D-08    CP:  1.00D+00  9.81D-01  3.93D-01  6.40D-01  6.13D-01
                    CP:  9.20D-01  6.76D-01
 E= -1013.45126669396     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 1.17D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45126669396     IErMin= 8 ErrMin= 1.17D-07
 ErrMax= 1.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.30D-12 BMatP= 5.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.592D-05 0.293D-02 0.270D-02 0.986D-02 0.164D-01 0.187D+00
 Coeff-Com:  0.309D+00 0.472D+00
 Coeff:     -0.592D-05 0.293D-02 0.270D-02 0.986D-02 0.164D-01 0.187D+00
 Coeff:      0.309D+00 0.472D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=5.83D-07 DE=-4.68D-11 OVMax= 1.04D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.24D-09    CP:  1.00D+00  9.81D-01  3.94D-01  6.40D-01  6.13D-01
                    CP:  9.22D-01  7.08D-01  7.04D-01
 E= -1013.45126669388     Delta-E=        0.000000000074 Rises=F Damp=F
 DIIS: error= 7.73D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45126669396     IErMin= 9 ErrMin= 7.73D-08
 ErrMax= 7.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-12 BMatP= 6.30D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.261D-05 0.548D-03 0.593D-03 0.217D-02 0.445D-02 0.674D-01
 Coeff-Com:  0.146D+00 0.400D+00 0.379D+00
 Coeff:     -0.261D-05 0.548D-03 0.593D-03 0.217D-02 0.445D-02 0.674D-01
 Coeff:      0.146D+00 0.400D+00 0.379D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.66D-09 MaxDP=2.58D-07 DE= 7.41D-11 OVMax= 4.36D-07

 Error on total polarization charges =  0.04301
 SCF Done:  E(RB97D) =  -1013.45126669     A.U. after    9 cycles
            NFock=  9  Conv=0.47D-08     -V/T= 2.0213
 KE= 9.923480270280D+02 PE=-6.027260735223D+03 EE= 2.173578190826D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:51:55 2016, MaxMem=  2952790016 cpu:      1268.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37506.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 01:52:03 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:52:04 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:52:40 2016, MaxMem=  2952790016 cpu:       439.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.25364904D+00-2.71531550D+00 3.28813747D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000023579   -0.000132369   -0.000118364
      2        6           0.000045098    0.000121973    0.000064187
      3        8           0.000050334   -0.000039445    0.000050857
      4        7           0.000018880   -0.000005058   -0.000105341
      5        1           0.000030783    0.000026924   -0.000070772
      6        6           0.000115301    0.000052296    0.000012890
      7        1          -0.000026846   -0.000030175    0.000093388
      8        1           0.000072433   -0.000064014   -0.000024515
      9        1          -0.000008640    0.000058434    0.000025130
     10        6           0.000071212    0.000017094    0.000131450
     11        1           0.000013726    0.000098638    0.000076913
     12        1           0.000030577    0.000029866   -0.000058604
     13        1           0.000036837    0.000036573    0.000038537
     14        6          -0.000012227    0.000002409   -0.000048341
     15        8          -0.000020245   -0.000011157   -0.000037621
     16        7          -0.000008755   -0.000013504    0.000007438
     17        1          -0.000006090    0.000008286   -0.000035621
     18        6           0.000016081    0.000044055   -0.000000611
     19        1          -0.000020565    0.000030681    0.000047266
     20        1          -0.000005702    0.000003703   -0.000060922
     21        1          -0.000025682   -0.000046185   -0.000023905
     22        6           0.000010344   -0.000007450   -0.000011124
     23        1           0.000009142    0.000010285   -0.000019435
     24        1           0.000033621    0.000019565   -0.000028165
     25        1           0.000002281   -0.000001759   -0.000033012
     26        6          -0.000025631    0.000037371    0.000005626
     27        8          -0.000003414   -0.000029333    0.000016229
     28        7          -0.000016562   -0.000026360   -0.000020970
     29        1           0.000003371   -0.000002961    0.000029840
     30        6          -0.000030928   -0.000051577   -0.000022656
     31        1           0.000009730    0.000007299    0.000004223
     32        1          -0.000006523   -0.000000593   -0.000048693
     33        1           0.000008724    0.000002379    0.000018507
     34        6          -0.000005274   -0.000011056   -0.000038599
     35        1          -0.000021342   -0.000039769    0.000009464
     36        1           0.000017371   -0.000019470    0.000057797
     37        1          -0.000043344   -0.000002411   -0.000012725
     38        6           0.000062595    0.000082143   -0.000062616
     39        8           0.000036924   -0.000029709    0.000003592
     40        7          -0.000090948    0.000060632    0.000133780
     41        1          -0.000000615   -0.000039817   -0.000021125
     42        6           0.000026365   -0.000223730    0.000253118
     43        1          -0.000012227    0.000064112    0.000008058
     44        1          -0.000035901    0.000065634   -0.000101629
     45        1          -0.000133338    0.000028179    0.000045582
     46        6           0.000061299   -0.000084481   -0.000191675
     47        1          -0.000024847    0.000011364    0.000021875
     48        1          -0.000147028    0.000017941    0.000044476
     49        1          -0.000026776   -0.000025459   -0.000003182
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000253118 RMS     0.000057788
 Leave Link  716 at Mon Nov 14 01:52:40 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000069419 RMS     0.000014726
 Search for a local minimum.
 Step number  36 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .14726D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   27   28   29   30   31
                                                     32   33   34   35   36
 DE= -7.51D-06 DEPred=-5.15D-06 R= 1.46D+00
 TightC=F SS=  1.41D+00  RLast= 1.57D-01 DXNew= 2.2445D+00 4.7008D-01
 Trust test= 1.46D+00 RLast= 1.57D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00021   0.00048   0.00089   0.00140   0.00188
     Eigenvalues ---    0.00261   0.00350   0.00391   0.00501   0.00577
     Eigenvalues ---    0.00680   0.00695   0.00763   0.00779   0.00827
     Eigenvalues ---    0.00895   0.01013   0.01025   0.01113   0.01133
     Eigenvalues ---    0.01175   0.01226   0.01312   0.01331   0.01399
     Eigenvalues ---    0.01545   0.01562   0.01632   0.01708   0.01785
     Eigenvalues ---    0.01793   0.01826   0.01901   0.01906   0.01952
     Eigenvalues ---    0.02069   0.02122   0.02255   0.02366   0.02433
     Eigenvalues ---    0.02629   0.02688   0.02897   0.03091   0.03306
     Eigenvalues ---    0.03815   0.04302   0.04434   0.04698   0.04831
     Eigenvalues ---    0.05410   0.05625   0.05961   0.06096   0.06301
     Eigenvalues ---    0.06497   0.06751   0.06916   0.07149   0.07498
     Eigenvalues ---    0.07625   0.07730   0.07964   0.08097   0.08199
     Eigenvalues ---    0.08290   0.08387   0.08487   0.08662   0.08772
     Eigenvalues ---    0.08809   0.08948   0.09295   0.09340   0.09637
     Eigenvalues ---    0.09879   0.09950   0.10048   0.10281   0.10333
     Eigenvalues ---    0.10516   0.10561   0.10616   0.11101   0.11269
     Eigenvalues ---    0.11322   0.11431   0.11657   0.12147   0.13219
     Eigenvalues ---    0.13494   0.13912   0.14547   0.15179   0.15313
     Eigenvalues ---    0.15649   0.16417   0.22172   0.23338   0.23680
     Eigenvalues ---    0.24136   0.24516   0.25077   0.25807   0.26486
     Eigenvalues ---    0.27006   0.27798   0.28570   0.29274   0.29730
     Eigenvalues ---    0.29861   0.30044   0.32726   0.32746   0.32821
     Eigenvalues ---    0.32827   0.33299   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33416   0.33428   0.33458   0.33493   0.33689
     Eigenvalues ---    0.33793   0.33826   0.33830   0.33916   0.33950
     Eigenvalues ---    0.33999   0.34011   0.34166   0.37310   0.39404
     Eigenvalues ---    0.40566   0.41390   0.85933   0.85993   0.86095
     Eigenvalues ---    0.87242
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    36   35   34   33   32
 RFO step:  Lambda=-6.98479888D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  6.24D-06 SmlDif=  1.00D-05
 RMS Error=  0.7266025063D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.03967   -2.59388    0.21495    1.75995   -0.42068
 Iteration  1 RMS(Cart)=  0.00197624 RMS(Int)=  0.00004330
 Iteration  2 RMS(Cart)=  0.00002200 RMS(Int)=  0.00001786
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00001786
 ITry= 1 IFail=0 DXMaxC= 2.02D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59448  -0.00001  -0.00108  -0.00134  -0.00241   6.59207
    R2        6.25852   0.00003  -0.00094   0.00018  -0.00075   6.25777
    R3        7.24047   0.00003  -0.00077   0.00236   0.00160   7.24207
    R4        6.31731   0.00000   0.00441   0.00438   0.00881   6.32611
    R5        6.52262   0.00002   0.00398  -0.00061   0.00342   6.52604
    R6        5.97890  -0.00001   0.00019  -0.00029  -0.00012   5.97878
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   R13        6.88129  -0.00001   0.00069  -0.00321  -0.00252   6.87877
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   A26        2.30712   0.00001   0.00036   0.00059   0.00096   2.30809
   A27        2.04021   0.00001   0.00071   0.00063   0.00135   2.04157
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   A38        1.56428   0.00001   0.00182   0.00054   0.00238   1.56666
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   A45        2.64637   0.00001   0.00017   0.00038   0.00057   2.64693
   A46        2.34070   0.00001   0.00033   0.00041   0.00076   2.34146
   A47        2.18334   0.00001   0.00045   0.00028   0.00075   2.18409
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   A50        1.46165  -0.00001   0.00026  -0.00018   0.00007   1.46172
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   A163       2.23408  -0.00003  -0.00163  -0.00161  -0.00326   2.23082
   A164       1.52947  -0.00002  -0.00162  -0.00115  -0.00278   1.52670
   A165       1.67570  -0.00002  -0.00222  -0.00120  -0.00342   1.67227
   A166       2.15207   0.00000  -0.00022   0.00076   0.00054   2.15261
   A167       1.85604   0.00000  -0.00038   0.00050   0.00011   1.85615
   A168       1.46968  -0.00001  -0.00032   0.00059   0.00027   1.46995
   A169       1.19134  -0.00001  -0.00039   0.00053   0.00013   1.19147
   A170       1.86768  -0.00001  -0.00057   0.00021  -0.00037   1.86731
   A171       2.02712   0.00000  -0.00075  -0.00148  -0.00222   2.02490
   A172       2.32055   0.00000  -0.00106  -0.00132  -0.00237   2.31818
   A173       2.73771  -0.00001  -0.00069  -0.00129  -0.00195   2.73576
   A174       2.14245   0.00000  -0.00121  -0.00082  -0.00202   2.14043
   A175       2.12933  -0.00001  -0.00175  -0.00066  -0.00240   2.12692
   A176       2.25743  -0.00001  -0.00043   0.00092   0.00049   2.25793
   A177       2.04136  -0.00001  -0.00065   0.00069   0.00003   2.04139
   A178       1.63089  -0.00001  -0.00067   0.00072   0.00005   1.63093
   A179       1.38182  -0.00001  -0.00069   0.00064  -0.00007   1.38175
   A180       2.13249  -0.00001  -0.00077   0.00034  -0.00043   2.13207
   A181       1.94771   0.00001  -0.00025  -0.00156  -0.00180   1.94592
   A182       2.31358   0.00000  -0.00042  -0.00151  -0.00191   2.31166
   A183       2.63286   0.00000   0.00022  -0.00138  -0.00114   2.63172
   A184       2.27934   0.00000  -0.00092  -0.00108  -0.00197   2.27737
   A185       2.34802   0.00000  -0.00168  -0.00092  -0.00255   2.34547
   A186       0.69139   0.00001   0.00000   0.00014   0.00014   0.69153
   A187       0.98235   0.00001   0.00005   0.00017   0.00023   0.98258
   A188       0.69996   0.00000  -0.00009   0.00021   0.00012   0.70008
   A189       2.07608   0.00000   0.00074   0.00066   0.00139   2.07747
   A190       1.70868   0.00001   0.00072   0.00059   0.00129   1.70997
   A191       1.36740   0.00001   0.00053   0.00056   0.00107   1.36847
   A192       1.06597   0.00002   0.00056   0.00057   0.00113   1.06710
   A193       1.62177   0.00002   0.00079   0.00034   0.00112   1.62290
   A194       1.40220   0.00002   0.00128   0.00048   0.00175   1.40395
   A195       0.66671   0.00000   0.00003   0.00000   0.00003   0.66673
   A196       2.24275   0.00001   0.00058   0.00060   0.00117   2.24392
   A197       1.84734   0.00001   0.00052   0.00058   0.00110   1.84844
   A198       1.60894   0.00001   0.00042   0.00068   0.00109   1.61002
   A199       1.29431   0.00002   0.00009   0.00047   0.00055   1.29486
   A200       1.61859   0.00002   0.00069   0.00030   0.00099   1.61958
   A201       1.34429   0.00002   0.00105   0.00040   0.00144   1.34573
   A202       0.71110   0.00000   0.00006   0.00004   0.00011   0.71121
   A203       2.63926   0.00001   0.00054   0.00052   0.00104   2.64030
   A204       2.24847   0.00001   0.00051   0.00057   0.00107   2.24954
   A205       2.01890   0.00002   0.00048   0.00068   0.00115   2.02006
   A206       1.70443   0.00003   0.00021   0.00051   0.00072   1.70515
   A207       1.96171   0.00002   0.00063   0.00031   0.00094   1.96265
   A208       1.67292   0.00003   0.00086   0.00040   0.00125   1.67418
   A209       0.83430   0.00000  -0.00005  -0.00002  -0.00007   0.83424
   A210       2.70629   0.00001  -0.00013   0.00000  -0.00013   2.70616
   A211       2.38698   0.00001   0.00008   0.00037   0.00045   2.38743
   A212       2.26457   0.00001   0.00035   0.00066   0.00100   2.26557
   A213       1.95289   0.00002  -0.00007   0.00039   0.00032   1.95322
   A214       2.01928   0.00002   0.00022   0.00019   0.00041   2.01969
   A215       1.73622   0.00003   0.00032   0.00027   0.00058   1.73680
   A216       1.93637   0.00001   0.00037   0.00039   0.00075   1.93712
   A217       1.56299   0.00001   0.00029   0.00046   0.00074   1.56374
   A218       1.46856   0.00001   0.00020   0.00062   0.00080   1.46936
   A219       1.18355   0.00001  -0.00057   0.00016  -0.00042   1.18313
   A220       1.25083   0.00002   0.00058   0.00027   0.00085   1.25168
   A221       0.96288   0.00002   0.00085   0.00036   0.00120   0.96408
   A222       0.71602  -0.00001   0.00021   0.00014   0.00035   0.71637
   A223       1.01015  -0.00002   0.00016   0.00009   0.00025   1.01040
   A224       0.69899  -0.00001  -0.00021   0.00000  -0.00021   0.69877
   A225       0.98777  -0.00001  -0.00035  -0.00006  -0.00041   0.98735
   A226       0.66193  -0.00002  -0.00010  -0.00012  -0.00022   0.66171
   A227       0.66597  -0.00001  -0.00023   0.00001  -0.00023   0.66575
   A228       0.70837  -0.00001   0.00004   0.00003   0.00006   0.70842
   A229       0.83982  -0.00001   0.00034   0.00020   0.00052   0.84034
   A230       0.77818  -0.00001  -0.00068  -0.00057  -0.00126   0.77693
   A231       0.78441  -0.00001  -0.00041  -0.00046  -0.00087   0.78353
   A232       1.59105  -0.00006   0.00120  -0.00089   0.00031   1.59136
   A233       1.86288   0.00005  -0.00178   0.00018  -0.00160   1.86128
   A234       2.19033  -0.00003  -0.00014   0.00010  -0.00006   2.19027
   A235       2.12934   0.00001   0.00020  -0.00007   0.00013   2.12947
   A236       1.96315   0.00002  -0.00007  -0.00004  -0.00009   1.96306
   A237       2.12342  -0.00001   0.00048   0.00004   0.00051   2.12393
   A238       2.12582   0.00003   0.00049  -0.00006   0.00046   2.12628
   A239       2.03315  -0.00003  -0.00093   0.00002  -0.00090   2.03226
   A240       1.84676  -0.00006  -0.00564  -0.00149  -0.00714   1.83963
   A241       2.52715   0.00004   0.00534   0.00157   0.00699   2.53414
   A242       1.91372  -0.00003  -0.00007   0.00026   0.00018   1.91390
   A243       1.91765  -0.00003  -0.00030  -0.00038  -0.00074   1.91691
   A244       1.91541   0.00002  -0.00028   0.00000  -0.00023   1.91518
   A245       1.91005   0.00001   0.00077  -0.00018   0.00063   1.91067
   A246       1.90831   0.00002   0.00029  -0.00003   0.00028   1.90858
   A247       1.89859   0.00001  -0.00041   0.00033  -0.00010   1.89849
   A248       1.27866   0.00002   0.00408  -0.00055   0.00355   1.28221
   A249       1.90515  -0.00002   0.00002  -0.00020  -0.00013   1.90502
   A250       1.90960  -0.00001   0.00018  -0.00002   0.00020   1.90979
   A251       1.92805  -0.00001  -0.00027   0.00002  -0.00029   1.92776
   A252       1.90999   0.00003   0.00033   0.00010   0.00039   1.91038
   A253       1.89819   0.00001  -0.00021  -0.00002  -0.00023   1.89796
   A254       1.91273  -0.00001  -0.00005   0.00013   0.00007   1.91280
   A255       1.72147   0.00000   0.00050   0.00013   0.00062   1.72210
   A256       1.76865  -0.00001  -0.00104  -0.00016  -0.00120   1.76746
   A257       2.19082  -0.00001   0.00011  -0.00006   0.00005   2.19087
   A258       2.12984   0.00000   0.00003   0.00005   0.00009   2.12993
   A259       1.96232   0.00001  -0.00015   0.00001  -0.00014   1.96219
   A260       2.12403   0.00000   0.00011  -0.00001   0.00010   2.12414
   A261       2.12407  -0.00001  -0.00019  -0.00006  -0.00026   2.12381
   A262       2.03485   0.00001   0.00006   0.00006   0.00015   2.03500
   A263       1.33900   0.00003   0.00221   0.00026   0.00246   1.34146
   A264       1.89892   0.00001   0.00025   0.00002   0.00028   1.89920
   A265       1.93223  -0.00001  -0.00008  -0.00002  -0.00010   1.93213
   A266       1.91010   0.00002  -0.00014   0.00004  -0.00010   1.91000
   A267       1.89833   0.00000  -0.00011  -0.00003  -0.00014   1.89820
   A268       1.91272   0.00000   0.00009  -0.00002   0.00006   1.91279
   A269       1.91139  -0.00001  -0.00001   0.00001  -0.00001   1.91138
   A270       2.66666   0.00000  -0.00076   0.00033  -0.00043   2.66623
   A271       1.69673   0.00001   0.00074  -0.00031   0.00043   1.69716
   A272       1.92493   0.00000  -0.00009   0.00007  -0.00003   1.92491
   A273       1.91288   0.00001   0.00019   0.00002   0.00023   1.91311
   A274       1.91360   0.00001  -0.00004   0.00000  -0.00002   1.91357
   A275       1.89413   0.00000   0.00005  -0.00004   0.00000   1.89413
   A276       1.91113  -0.00001  -0.00005  -0.00002  -0.00007   1.91106
   A277       1.90697  -0.00001  -0.00006  -0.00003  -0.00010   1.90687
   A278       1.80881   0.00001   0.00053  -0.00031   0.00022   1.80903
   A279       1.75205   0.00000  -0.00041  -0.00017  -0.00058   1.75146
   A280       2.18909   0.00000   0.00003   0.00006   0.00009   2.18918
   A281       2.13089   0.00000   0.00002  -0.00003   0.00000   2.13089
   A282       1.96313   0.00000  -0.00006  -0.00002  -0.00009   1.96304
   A283       2.12239   0.00000  -0.00008  -0.00014  -0.00021   2.12218
   A284       2.11508   0.00000  -0.00016   0.00008  -0.00009   2.11499
   A285       2.04283   0.00000   0.00021   0.00010   0.00031   2.04314
   A286       2.70153   0.00001   0.00121   0.00040   0.00161   2.70314
   A287       1.65791   0.00000  -0.00107  -0.00033  -0.00140   1.65650
   A288       1.92659   0.00000   0.00016   0.00016   0.00032   1.92691
   A289       1.91527   0.00001   0.00007  -0.00014  -0.00006   1.91521
   A290       1.91201   0.00000  -0.00010  -0.00003  -0.00012   1.91188
   A291       1.89115   0.00000   0.00021   0.00000   0.00021   1.89136
   A292       1.91266  -0.00001  -0.00014  -0.00002  -0.00016   1.91250
   A293       1.90593   0.00000  -0.00021   0.00003  -0.00019   1.90575
   A294       1.34218   0.00004   0.00103  -0.00049   0.00054   1.34272
   A295       1.15837  -0.00002  -0.00049   0.00058   0.00009   1.15845
   A296       1.93353   0.00000  -0.00004   0.00010   0.00005   1.93359
   A297       1.90629   0.00002   0.00010   0.00004   0.00014   1.90642
   A298       1.90082  -0.00002   0.00013  -0.00011   0.00003   1.90084
   A299       1.90943  -0.00002   0.00000  -0.00002  -0.00002   1.90941
   A300       1.89943   0.00001  -0.00024   0.00013  -0.00011   1.89932
   A301       1.91427   0.00001   0.00005  -0.00014  -0.00009   1.91418
   A302       1.72109  -0.00002  -0.00090  -0.00111  -0.00201   1.71909
   A303       1.76564  -0.00003   0.00024   0.00114   0.00138   1.76702
   A304       2.19325   0.00001  -0.00019   0.00002  -0.00016   2.19309
   A305       2.12989   0.00002   0.00007   0.00011   0.00018   2.13007
   A306       1.95977  -0.00003   0.00011  -0.00013  -0.00003   1.95974
   A307       2.12662  -0.00002  -0.00037   0.00003  -0.00033   2.12629
   A308       2.12069   0.00001  -0.00002   0.00011   0.00008   2.12077
   A309       2.03538   0.00001   0.00039  -0.00017   0.00019   2.03557
   A310       1.39075   0.00001  -0.00531  -0.00254  -0.00784   1.38291
   A311       2.96250   0.00006   0.00527   0.00264   0.00791   2.97041
   A312       1.90798   0.00001  -0.00058   0.00031  -0.00028   1.90771
   A313       1.92796   0.00001  -0.00005   0.00001  -0.00015   1.92781
   A314       1.90543   0.00000  -0.00006  -0.00027  -0.00031   1.90512
   A315       1.91474  -0.00007   0.00013  -0.00020  -0.00003   1.91472
   A316       1.91296   0.00001  -0.00035   0.00000  -0.00036   1.91260
   A317       1.89465   0.00005   0.00091   0.00015   0.00112   1.89577
   A318       1.70360   0.00001   0.00188   0.00114   0.00302   1.70662
   A319       1.91351   0.00001  -0.00006   0.00006   0.00002   1.91352
   A320       1.91381   0.00003  -0.00017   0.00006  -0.00012   1.91369
   A321       1.92545  -0.00002   0.00004  -0.00002   0.00001   1.92546
   A322       1.90424   0.00000   0.00020   0.00006   0.00025   1.90449
   A323       1.91208  -0.00002  -0.00008  -0.00008  -0.00016   1.91192
   A324       1.89453  -0.00001   0.00008  -0.00009  -0.00001   1.89453
   A325       2.92368   0.00001   0.00074   0.00038   0.00111   2.92479
   A326       3.33993   0.00001   0.00203   0.00057   0.00265   3.34258
   A327       3.05770   0.00000   0.00205   0.00057   0.00266   3.06036
   A328       3.19139   0.00001   0.00403  -0.00042   0.00361   3.19501
   A329       3.25038   0.00001   0.00220   0.00026   0.00246   3.25284
   A330       3.25161   0.00002   0.00103  -0.00051   0.00052   3.25213
   A331       3.61568  -0.00001   0.00180   0.00106   0.00286   3.61854
   A332       3.21601  -0.00001  -0.00164  -0.00065  -0.00228   3.21373
   A333       3.02657  -0.00002  -0.00059  -0.00144  -0.00205   3.02453
   A334       2.96412  -0.00002  -0.00038  -0.00157  -0.00197   2.96215
   A335       3.22671   0.00000  -0.00016   0.00013  -0.00001   3.22670
   A336       3.08267   0.00000  -0.00089   0.00001  -0.00088   3.08179
   A337       3.10577   0.00000  -0.00029   0.00053   0.00025   3.10601
   A338       3.03678   0.00000   0.00065  -0.00021   0.00044   3.03721
    D1        2.75858   0.00000  -0.00089   0.00013  -0.00074   2.75783
    D2       -1.35992   0.00000  -0.00062  -0.00023  -0.00085  -1.36077
    D3        2.78805  -0.00002  -0.00359  -0.00043  -0.00400   2.78405
    D4       -1.33045  -0.00002  -0.00333  -0.00079  -0.00410  -1.33455
    D5        1.66096   0.00001  -0.00035   0.00043   0.00007   1.66104
    D6       -2.45753   0.00001  -0.00008   0.00006  -0.00003  -2.45756
    D7        1.84302   0.00002  -0.00136   0.00063  -0.00071   1.84232
    D8       -2.27547   0.00002  -0.00109   0.00026  -0.00081  -2.27628
    D9        0.31747   0.00000  -0.00183   0.00052  -0.00131   0.31616
   D10        2.48216   0.00000  -0.00156   0.00015  -0.00141   2.48075
   D11        0.03904   0.00000  -0.00201   0.00030  -0.00170   0.03734
   D12        2.20373   0.00000  -0.00174  -0.00006  -0.00181   2.20192
   D13       -0.42796  -0.00001  -0.00195   0.00022  -0.00172  -0.42969
   D14        1.73673   0.00000  -0.00168  -0.00014  -0.00183   1.73490
   D15       -0.54468  -0.00001  -0.00256   0.00021  -0.00235  -0.54704
   D16        1.62001  -0.00001  -0.00230  -0.00015  -0.00246   1.61755
   D17        0.22185  -0.00001  -0.00210   0.00029  -0.00181   0.22004
   D18        2.38654   0.00000  -0.00184  -0.00008  -0.00192   2.38463
   D19        0.15940   0.00000  -0.00190   0.00016  -0.00174   0.15766
   D20        2.32409   0.00000  -0.00164  -0.00021  -0.00184   2.32224
   D21        2.40074  -0.00001  -0.00237   0.00115  -0.00121   2.39953
   D22       -1.71776  -0.00001  -0.00210   0.00079  -0.00131  -1.71907
   D23        2.15591  -0.00001  -0.00274   0.00117  -0.00157   2.15434
   D24       -1.96258  -0.00001  -0.00248   0.00081  -0.00168  -1.96426
   D25        1.71348  -0.00001  -0.00257   0.00113  -0.00145   1.71203
   D26       -2.40502  -0.00001  -0.00231   0.00077  -0.00155  -2.40657
   D27        1.40570  -0.00001  -0.00257   0.00112  -0.00148   1.40423
   D28       -2.71279  -0.00001  -0.00230   0.00075  -0.00158  -2.71437
   D29        2.36600  -0.00002  -0.00348   0.00139  -0.00209   2.36391
   D30       -1.75249  -0.00001  -0.00321   0.00102  -0.00220  -1.75469
   D31       -1.80427  -0.00001  -0.00141   0.00178   0.00035  -1.80392
   D32        0.36042  -0.00001  -0.00115   0.00142   0.00024   0.36067
   D33       -2.13736   0.00000  -0.00131   0.00163   0.00031  -2.13704
   D34        0.02733   0.00000  -0.00104   0.00126   0.00021   0.02754
   D35       -2.52024   0.00000  -0.00162   0.00162   0.00000  -2.52024
   D36       -0.35555   0.00001  -0.00135   0.00125  -0.00010  -0.35565
   D37       -2.80472   0.00001  -0.00152   0.00173   0.00023  -2.80449
   D38       -0.64003   0.00002  -0.00125   0.00136   0.00013  -0.63990
   D39       -2.13344   0.00000  -0.00096   0.00127   0.00031  -2.13312
   D40        0.03125   0.00000  -0.00069   0.00090   0.00021   0.03146
   D41       -2.37970   0.00001  -0.00021   0.00155   0.00136  -2.37835
   D42       -0.21501   0.00001   0.00005   0.00118   0.00125  -0.21376
   D43        1.25435   0.00000   0.00329   0.00083   0.00414   1.25849
   D44       -1.94460   0.00000   0.00563   0.00234   0.00799  -1.93661
   D45        2.44741   0.00001   0.00325   0.00124   0.00449   2.45190
   D46       -0.75155   0.00001   0.00559   0.00276   0.00834  -0.74321
   D47        2.93360   0.00002   0.00264   0.00145   0.00412   2.93771
   D48       -0.26536   0.00002   0.00498   0.00297   0.00797  -0.25739
   D49        2.84279   0.00000   0.00246   0.00174   0.00423   2.84701
   D50       -0.35617   0.00000   0.00480   0.00325   0.00808  -0.34809
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   D52       -1.15913   0.00000   0.00404   0.00291   0.00697  -1.15216
   D53        1.16699   0.00000   0.00120   0.00096   0.00216   1.16915
   D54       -2.03196  -0.00001   0.00354   0.00248   0.00601  -2.02595
   D55        1.02939  -0.00001   0.00088   0.00087   0.00173   1.03112
   D56       -2.16957  -0.00002   0.00322   0.00238   0.00558  -2.16398
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   D58       -1.17890   0.00000   0.00426   0.00271   0.00699  -1.17191
   D59        1.82879   0.00000   0.00225   0.00101   0.00327   1.83206
   D60       -1.37016   0.00000   0.00459   0.00253   0.00712  -1.36304
   D61       -2.28468  -0.00001   0.00171   0.00189   0.00360  -2.28108
   D62        0.79955  -0.00001   0.00405   0.00340   0.00745   0.80701
   D63       -2.42000  -0.00001   0.00167   0.00171   0.00339  -2.41662
   D64        0.66423  -0.00001   0.00401   0.00323   0.00724   0.67146
   D65       -2.82269  -0.00001   0.00160   0.00167   0.00327  -2.81942
   D66        0.26154  -0.00001   0.00394   0.00318   0.00712   0.26866
   D67       -3.00010  -0.00001   0.00165   0.00167   0.00333  -2.99678
   D68        0.08413  -0.00001   0.00399   0.00318   0.00718   0.09130
   D69       -2.14351  -0.00001   0.00165   0.00162   0.00327  -2.14023
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   D75       -0.76754   0.00001   0.00195   0.00246   0.00439  -0.76315
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   D77       -1.10386   0.00002   0.00166   0.00228   0.00394  -1.09992
   D78        1.98038   0.00002   0.00400   0.00380   0.00779   1.98816
   D79       -0.83801   0.00001   0.00244   0.00193   0.00436  -0.83365
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   D81       -1.14499   0.00001   0.00264   0.00198   0.00462  -1.14037
   D82        1.93924   0.00001   0.00498   0.00350   0.00847   1.94771
   D83       -1.53581   0.00000   0.00107  -0.00013   0.00093  -1.53487
   D84       -2.61203   0.00001   0.00049   0.00007   0.00056  -2.61147
   D85       -2.94452  -0.00001  -0.00186  -0.00046  -0.00230  -2.94682
   D86        0.72707   0.00000   0.00000   0.00033   0.00033   0.72740
   D87        0.30620   0.00000  -0.00022   0.00022   0.00001   0.30621
   D88       -0.07068   0.00001  -0.00023   0.00023   0.00001  -0.07067
   D89       -0.40199   0.00000  -0.00070   0.00010  -0.00059  -0.40258
   D90        0.18342   0.00000  -0.00044   0.00011  -0.00031   0.18312
   D91       -0.05293   0.00000  -0.00025   0.00002  -0.00021  -0.05314
   D92        2.39847   0.00000  -0.00090   0.00069  -0.00020   2.39826
   D93        2.05054  -0.00001  -0.00094   0.00051  -0.00043   2.05011
   D94        1.65783  -0.00001  -0.00112   0.00057  -0.00055   1.65728
   D95        1.37054  -0.00001  -0.00110   0.00054  -0.00056   1.36998
   D96        2.05257   0.00000  -0.00081   0.00046  -0.00036   2.05221
   D97       -1.94720  -0.00002  -0.00061   0.00156   0.00097  -1.94623
   D98       -2.45308  -0.00001  -0.00096   0.00143   0.00049  -2.45259
   D99       -2.68480   0.00000  -0.00083   0.00126   0.00042  -2.68438
   D100      -3.00368   0.00001  -0.00141   0.00082  -0.00060  -3.00427
   D101      -2.87575   0.00000  -0.00111   0.00127   0.00017  -2.87558
   D102       2.87351   0.00002  -0.00124   0.00099  -0.00028   2.87323
   D103      -2.88363  -0.00001  -0.00048  -0.00024  -0.00074  -2.88437
   D104       1.21301  -0.00001  -0.00035  -0.00029  -0.00066   1.21236
   D105       2.83149   0.00000  -0.00049  -0.00059  -0.00108   2.83042
   D106       0.64495   0.00000  -0.00037  -0.00064  -0.00100   0.64396
   D107       2.33761   0.00000  -0.00050  -0.00070  -0.00123   2.33638
   D108       0.15107   0.00000  -0.00037  -0.00075  -0.00115   0.14992
   D109       1.77245   0.00002   0.00011  -0.00009   0.00001   1.77247
   D110      -0.41409   0.00002   0.00024  -0.00013   0.00009  -0.41399
   D111       2.60982  -0.00001  -0.00104  -0.00041  -0.00146   2.60836
   D112       0.42328  -0.00001  -0.00092  -0.00045  -0.00138   0.42190
   D113       2.27216  -0.00001  -0.00066  -0.00048  -0.00116   2.27100
   D114       0.08562  -0.00002  -0.00053  -0.00053  -0.00108   0.08454
   D115      -1.61052   0.00001  -0.00004   0.00010   0.00007  -1.61046
   D116       2.48612   0.00001   0.00009   0.00005   0.00015   2.48627
   D117      -1.77534   0.00002   0.00061   0.00018   0.00080  -1.77454
   D118       2.32130   0.00002   0.00073   0.00014   0.00088   2.32218
   D119      -2.73451   0.00000  -0.00004   0.00011   0.00006  -2.73445
   D120       1.36213   0.00000   0.00008   0.00006   0.00014   1.36227
   D121      -2.69746   0.00000  -0.00040   0.00020  -0.00021  -2.69767
   D122       1.39919   0.00000  -0.00028   0.00016  -0.00013   1.39906
   D123       1.34130   0.00001  -0.00011  -0.00067  -0.00079   1.34051
   D124      -0.84524   0.00001   0.00002  -0.00072  -0.00071  -0.84595
   D125       1.30952   0.00001   0.00018  -0.00061  -0.00043   1.30909
   D126      -0.87702   0.00001   0.00030  -0.00065  -0.00035  -0.87737
   D127       1.66436   0.00001   0.00045  -0.00053  -0.00008   1.66429
   D128      -0.52218   0.00001   0.00058  -0.00057   0.00000  -0.52217
   D129       1.78693   0.00001   0.00055  -0.00053   0.00001   1.78694
   D130      -0.39961   0.00001   0.00067  -0.00058   0.00009  -0.39952
   D131       0.90782   0.00001   0.00026  -0.00055  -0.00029   0.90753
   D132      -1.27872   0.00001   0.00039  -0.00060  -0.00021  -1.27893
   D133      -0.93296   0.00000  -0.00017  -0.00119  -0.00136  -0.93432
   D134      -3.11950   0.00000  -0.00004  -0.00124  -0.00128  -3.12078
   D135      -0.49964   0.00000  -0.00031  -0.00134  -0.00164  -0.50129
   D136      -2.68618   0.00000  -0.00018  -0.00139  -0.00156  -2.68775
   D137      -0.17233  -0.00001  -0.00036  -0.00177  -0.00210  -0.17443
   D138      -2.35887  -0.00001  -0.00023  -0.00181  -0.00202  -2.36089
   D139       0.23315  -0.00002  -0.00088  -0.00178  -0.00264   0.23052
   D140      -1.95339  -0.00003  -0.00075  -0.00183  -0.00255  -1.95594
   D141      -0.29920  -0.00001  -0.00065  -0.00097  -0.00162  -0.30082
   D142      -2.48574  -0.00001  -0.00053  -0.00102  -0.00154  -2.48728
   D143      -0.04101  -0.00002  -0.00110  -0.00105  -0.00214  -0.04315
   D144      -2.22755  -0.00002  -0.00097  -0.00110  -0.00206  -2.22961
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   D146      -2.71190  -0.00001  -0.00131   0.00000  -0.00132  -2.71323
   D147      -2.40218   0.00000  -0.00035   0.00001  -0.00033  -2.40251
   D148       3.02246  -0.00001  -0.00161  -0.00023  -0.00185   3.02061
   D149       2.64564  -0.00001  -0.00180  -0.00044  -0.00227   2.64338
   D150       1.52327   0.00001  -0.00131  -0.00007  -0.00138   1.52189
   D151       2.62431   0.00000  -0.00129  -0.00005  -0.00136   2.62295
   D152       2.99896   0.00000  -0.00159   0.00004  -0.00156   2.99739
   D153       1.21169   0.00000  -0.00133  -0.00142  -0.00275   1.20895
   D154       1.26549   0.00000  -0.00101  -0.00090  -0.00191   1.26358
   D155       1.65405   0.00001  -0.00085  -0.00065  -0.00150   1.65255
   D156       1.72572   0.00001  -0.00089  -0.00052  -0.00140   1.72432
   D157       0.91058   0.00001  -0.00083  -0.00066  -0.00149   0.90908
   D158      -0.99596   0.00000  -0.00105  -0.00078  -0.00182  -0.99777
   D159      -0.66730   0.00000  -0.00080  -0.00079  -0.00158  -0.66888
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   D162      -0.29168  -0.00001  -0.00113  -0.00068  -0.00181  -0.29349
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   D165       1.67660  -0.00001   0.00017  -0.00031  -0.00014   1.67646
   D166      -1.64701  -0.00001   0.00099  -0.00027   0.00073  -1.64628
   D167       1.30469  -0.00001   0.00032  -0.00039  -0.00007   1.30462
   D168      -1.72807  -0.00001   0.00141  -0.00029   0.00111  -1.72696
   D169       1.22362  -0.00001   0.00074  -0.00041   0.00032   1.22394
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   D268       1.97503   0.00000  -0.00017  -0.00022  -0.00041   1.97462
   D269      -1.38869   0.00000  -0.00042   0.00012  -0.00031  -1.38899
   D270       0.85477   0.00000   0.00003  -0.00045  -0.00042   0.85434
   D271      -2.50895   0.00001  -0.00022  -0.00011  -0.00032  -2.50927
   D272       1.07629   0.00001  -0.00124  -0.00154  -0.00280   1.07349
   D273      -2.28742   0.00001  -0.00148  -0.00120  -0.00270  -2.29012
   D274       1.17358   0.00000  -0.00091  -0.00077  -0.00169   1.17189
   D275      -2.19013   0.00000  -0.00115  -0.00043  -0.00159  -2.19173
   D276       1.60499  -0.00001  -0.00043  -0.00033  -0.00079   1.60420
   D277      -1.75873  -0.00001  -0.00068   0.00001  -0.00069  -1.75942
   D278       1.59268  -0.00001  -0.00150  -0.00099  -0.00250   1.59018
   D279      -1.77103  -0.00001  -0.00174  -0.00065  -0.00240  -1.77344
   D280       0.82832   0.00000  -0.00069  -0.00052  -0.00122   0.82710
   D281      -2.53539   0.00000  -0.00094  -0.00017  -0.00112  -2.53651
   D282       0.80309   0.00000  -0.00116  -0.00057  -0.00174   0.80135
   D283      -2.56062   0.00000  -0.00141  -0.00023  -0.00164  -2.56226
   D284       1.58304   0.00001   0.00126   0.00000   0.00126   1.58430
   D285      -2.62960   0.00001   0.00092  -0.00015   0.00077  -2.62883
   D286       1.64545   0.00001   0.00004   0.00046   0.00051   1.64596
   D287      -2.56719   0.00001  -0.00030   0.00031   0.00002  -2.56717
   D288       1.33374   0.00000  -0.00043   0.00083   0.00040   1.33414
   D289      -2.87890   0.00000  -0.00076   0.00068  -0.00008  -2.87899
   D290       1.24119   0.00002   0.00115   0.00148   0.00262   1.24381
   D291      -2.97145   0.00001   0.00081   0.00133   0.00213  -2.96932
   D292       2.04326  -0.00001  -0.00070   0.00062  -0.00007   2.04318
   D293      -2.16938  -0.00001  -0.00104   0.00047  -0.00056  -2.16994
   D294       2.02401  -0.00002  -0.00047   0.00063   0.00015   2.02415
   D295      -2.18864  -0.00002  -0.00081   0.00048  -0.00034  -2.18898
   D296      -2.29861   0.00000   0.00005   0.00086   0.00092  -2.29770
   D297      -0.22807   0.00000  -0.00029   0.00071   0.00043  -0.22764
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   D299      -0.20736   0.00000  -0.00035   0.00098   0.00063  -0.20673
   D300      -1.89086   0.00000  -0.00018   0.00122   0.00105  -1.88981
   D301       0.17969   0.00000  -0.00051   0.00107   0.00056   0.18025
   D302      -1.83477   0.00001   0.00025   0.00150   0.00176  -1.83301
   D303       0.23577   0.00001  -0.00009   0.00135   0.00127   0.23705
   D304      -2.62612   0.00000  -0.00008   0.00125   0.00118  -2.62495
   D305      -0.55558   0.00000  -0.00042   0.00110   0.00069  -0.55489
   D306      -2.75399  -0.00001  -0.00034   0.00149   0.00113  -2.75286
   D307      -0.68345  -0.00001  -0.00067   0.00134   0.00065  -0.68280
   D308       1.52986   0.00000  -0.00045   0.00037  -0.00009   1.52978
   D309      -2.68278   0.00000  -0.00079   0.00022  -0.00057  -2.68335
   D310       2.62946   0.00001  -0.00043   0.00043  -0.00001   2.62945
   D311      -1.58318   0.00000  -0.00077   0.00028  -0.00049  -1.58367
   D312       3.01399   0.00000  -0.00023   0.00053   0.00029   3.01428
   D313      -1.19866   0.00000  -0.00057   0.00038  -0.00019  -1.19885
   D314      -0.39861   0.00001  -0.00118  -0.00021  -0.00139  -0.40000
   D315       1.67193   0.00001  -0.00152  -0.00036  -0.00188   1.67005
   D316      -0.26545   0.00000  -0.00126   0.00007  -0.00119  -0.26664
   D317       1.80510   0.00000  -0.00160  -0.00008  -0.00168   1.80342
   D318       0.15370  -0.00001  -0.00103   0.00022  -0.00081   0.15288
   D319       2.22424  -0.00001  -0.00136   0.00007  -0.00130   2.22294
   D320       0.29177  -0.00002  -0.00197  -0.00033  -0.00230   0.28947
   D321       2.36231  -0.00002  -0.00230  -0.00048  -0.00279   2.35953
   D322      -0.53789   0.00000  -0.00113   0.00037  -0.00076  -0.53865
   D323       1.53265   0.00000  -0.00147   0.00022  -0.00125   1.53141
   D324      -0.57477   0.00000  -0.00185   0.00030  -0.00154  -0.57631
   D325       1.49578   0.00000  -0.00219   0.00015  -0.00203   1.49375
   D326       0.02815   0.00000  -0.00095   0.00115   0.00016   0.02831
   D327       2.21363   0.00000  -0.00112   0.00125   0.00009   2.21372
   D328       0.34173   0.00000  -0.00064   0.00082   0.00015   0.34188
   D329       2.52721   0.00000  -0.00081   0.00093   0.00009   2.52730
   D330       0.70221   0.00000  -0.00068   0.00083   0.00017   0.70238
   D331       2.88770   0.00000  -0.00085   0.00094   0.00010   2.88780
   D332       0.97969   0.00000  -0.00039   0.00080   0.00043   0.98012
   D333      -3.11801   0.00000  -0.00056   0.00091   0.00036  -3.11765
   D334       0.29744   0.00002   0.00007   0.00010   0.00013   0.29757
   D335       2.48292   0.00002  -0.00010   0.00021   0.00007   2.48299
   D336       0.67474   0.00002  -0.00024   0.00004  -0.00020   0.67454
   D337       2.86022   0.00002  -0.00040   0.00015  -0.00026   2.85995
   D338      -2.37942   0.00000  -0.00088   0.00106   0.00018  -2.37924
   D339      -0.19393   0.00000  -0.00105   0.00116   0.00012  -0.19382
   D340      -1.99359  -0.00001  -0.00101   0.00076  -0.00025  -1.99383
   D341       0.19189  -0.00001  -0.00118   0.00086  -0.00031   0.19158
   D342      -1.95015  -0.00001  -0.00091   0.00042  -0.00047  -1.95062
   D343       0.23533  -0.00001  -0.00108   0.00053  -0.00054   0.23479
   D344      -1.65776  -0.00001  -0.00113   0.00039  -0.00073  -1.65848
   D345       0.52772  -0.00001  -0.00130   0.00049  -0.00079   0.52693
   D346      -1.61118  -0.00001  -0.00121   0.00066  -0.00055  -1.61173
   D347       0.57430  -0.00001  -0.00138   0.00076  -0.00062   0.57369
   D348      -1.30700   0.00000  -0.00119   0.00046  -0.00072  -1.30773
   D349       0.87848   0.00000  -0.00136   0.00056  -0.00079   0.87769
   D350       1.77360  -0.00001  -0.00019   0.00081   0.00063   1.77422
   D351      -2.32411  -0.00002  -0.00036   0.00091   0.00056  -2.32355
   D352       2.18876  -0.00001   0.00004   0.00130   0.00135   2.19010
   D353      -1.90895  -0.00001  -0.00013   0.00140   0.00128  -1.90767
   D354       2.38036  -0.00001   0.00068   0.00190   0.00260   2.38296
   D355      -1.71735  -0.00001   0.00051   0.00201   0.00254  -1.71481
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   D357      -1.07355   0.00000   0.00135   0.00270   0.00401  -1.06954
   D358       2.53452  -0.00001  -0.00015   0.00118   0.00103   2.53555
   D359      -1.56318  -0.00001  -0.00032   0.00129   0.00096  -1.56222
   D360       1.61529   0.00001  -0.00019   0.00039   0.00022   1.61551
   D361      -2.48242   0.00001  -0.00036   0.00049   0.00016  -2.48226
   D362       1.76434   0.00001   0.00110   0.00131   0.00241   1.76675
   D363      -2.33337   0.00000   0.00093   0.00141   0.00234  -2.33102
   D364       2.74078   0.00000  -0.00014   0.00033   0.00020   2.74098
   D365      -1.35692   0.00000  -0.00031   0.00043   0.00013  -1.35679
   D366       2.70770   0.00001   0.00064   0.00073   0.00137   2.70907
   D367      -1.39000   0.00001   0.00047   0.00083   0.00130  -1.38870
   D368       0.04208   0.00001  -0.00148  -0.00099  -0.00252   0.03956
   D369      -2.69327   0.00001   0.00308   0.00350   0.00654  -2.68672
   D370       0.44152   0.00000  -0.00143  -0.00093  -0.00240   0.43912
   D371      -2.29383   0.00001   0.00314   0.00356   0.00666  -2.28716
   D372       0.64464   0.00000  -0.00179  -0.00059  -0.00239   0.64225
   D373      -2.09071   0.00001   0.00277   0.00390   0.00668  -2.08403
   D374       0.91300   0.00001  -0.00066  -0.00025  -0.00092   0.91209
   D375      -1.82235   0.00001   0.00390   0.00425   0.00815  -1.81420
   D376       0.69405   0.00001  -0.00091  -0.00142  -0.00234   0.69171
   D377      -2.04130   0.00001   0.00366   0.00308   0.00673  -2.03457
   D378       1.03037   0.00000  -0.00115  -0.00130  -0.00245   1.02792
   D379      -1.70498   0.00001   0.00341   0.00319   0.00661  -1.69837
   D380      -2.79403   0.00001  -0.00152  -0.00010  -0.00165  -2.79568
   D381       0.75381   0.00001   0.00304   0.00440   0.00741   0.76122
   D382      -2.22974   0.00000  -0.00219  -0.00016  -0.00236  -2.23210
   D383       1.31809   0.00000   0.00237   0.00433   0.00671   1.32480
   D384      -1.97155  -0.00001  -0.00210  -0.00100  -0.00311  -1.97466
   D385       1.57629  -0.00001   0.00246   0.00349   0.00596   1.58224
   D386      -1.63217  -0.00001  -0.00245  -0.00131  -0.00376  -1.63593
   D387       1.91567  -0.00001   0.00212   0.00319   0.00530   1.92098
   D388      -1.69069  -0.00002  -0.00388  -0.00038  -0.00415  -1.69483
   D389       1.85715  -0.00002   0.00069   0.00411   0.00492   1.86207
   D390      -1.06756  -0.00002  -0.00338  -0.00216  -0.00558  -1.07314
   D391       2.48028  -0.00001   0.00118   0.00233   0.00349   2.48376
   D392       1.78709  -0.00001  -0.00166  -0.00115  -0.00282   1.78427
   D393      -0.94826  -0.00001   0.00290   0.00335   0.00625  -0.94201
   D394       2.08463  -0.00001  -0.00163  -0.00100  -0.00264   2.08200
   D395      -0.65072  -0.00001   0.00294   0.00349   0.00643  -0.64429
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   D399      -0.51760   0.00000   0.00350   0.00363   0.00715  -0.51045
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   D401      -0.24681  -0.00001   0.00282   0.00348   0.00630  -0.24051
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   D405       0.94902   0.00001   0.00351   0.00316   0.00668   0.95570
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   D407       0.57734   0.00001   0.00410   0.00347   0.00757   0.58491
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   D411       2.82863   0.00001   0.00019   0.00101   0.00120   2.82983
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   D478       3.12447  -0.00002  -0.00159   0.00013  -0.00146   3.12301
   D479       0.01803   0.00001  -0.00105   0.00142   0.00037   0.01840
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   D482      -2.38276   0.00002  -0.00317  -0.00185  -0.00500  -2.38776
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   D485       0.72531  -0.00001  -0.00369  -0.00308  -0.00675   0.71856
   D486       0.02769  -0.00005  -0.00143  -0.00148  -0.00290   0.02479
   D487       2.11796  -0.00002  -0.00133  -0.00133  -0.00265   2.11530
   D488      -2.07953  -0.00002  -0.00132  -0.00141  -0.00272  -2.08225
   D489      -3.08050  -0.00002  -0.00091  -0.00025  -0.00115  -3.08165
   D490      -0.99024   0.00000  -0.00080  -0.00010  -0.00090  -0.99114
   D491       1.09547   0.00000  -0.00079  -0.00018  -0.00098   1.09449
         Item               Value     Threshold  Converged?
 Maximum Force            0.000069     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.020226     0.001800     NO 
 RMS     Displacement     0.001997     0.001200     NO 
 Predicted change in Energy=-3.157032D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:52:41 2016, MaxMem=  2952790016 cpu:         6.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.841206   -0.616986    1.690170
      2          6           0       -2.126054    1.083419   -1.342360
      3          8           0       -2.666724    0.097800   -1.873646
      4          7           0       -0.832208    1.145624   -0.925350
      5          1           0       -2.684596    2.017319   -1.131435
      6          6           0       -0.303726    2.320744   -0.231469
      7          1           0       -1.065456    3.112517   -0.212552
      8          1           0       -0.027124    2.052303    0.800975
      9          1           0        0.593562    2.689547   -0.754638
     10          6           0        0.090743    0.021460   -1.100200
     11          1           0        0.667388   -0.120188   -0.172623
     12          1           0       -0.481200   -0.890005   -1.318038
     13          1           0        0.792424    0.223954   -1.926184
     14          6           0       -1.979672   -4.038256    2.612217
     15          8           0       -2.116511   -3.896159    3.839393
     16          7           0       -2.914334   -3.732330    1.671657
     17          1           0       -1.040381   -4.420962    2.165929
     18          6           0       -4.223529   -3.185133    2.036612
     19          1           0       -4.494188   -2.399243    1.313716
     20          1           0       -4.995847   -3.971905    2.010850
     21          1           0       -4.171442   -2.755296    3.045420
     22          6           0       -2.651686   -3.904843    0.242561
     23          1           0       -3.350225   -4.640812   -0.188377
     24          1           0       -2.791026   -2.942939   -0.278118
     25          1           0       -1.618702   -4.250036    0.095888
     26          6           0        1.531522    0.378090    2.630784
     27          8           0        1.354530    1.390827    3.329000
     28          7           0        1.163496   -0.887585    2.969131
     29          1           0        2.010112    0.427491    1.632840
     30          6           0        1.479582   -2.032156    2.114224
     31          1           0        2.238281   -2.672833    2.594357
     32          1           0        0.571862   -2.634101    1.947795
     33          1           0        1.858333   -1.674797    1.146847
     34          6           0        0.524711   -1.173338    4.256507
     35          1           0        1.275967   -1.464789    5.010275
     36          1           0       -0.009678   -0.278903    4.601297
     37          1           0       -0.186330   -2.001903    4.125421
     38          6           0       -4.580641    1.269735    2.881650
     39          8           0       -4.816187    1.922435    1.850924
     40          7           0       -3.486823    1.413519    3.679399
     41          1           0       -5.257845    0.466802    3.237232
     42          6           0       -2.442915    2.399866    3.389004
     43          1           0       -2.535421    2.729753    2.346367
     44          1           0       -2.534500    3.267829    4.063170
     45          1           0       -1.455496    1.937188    3.543586
     46          6           0       -3.273498    0.557087    4.846349
     47          1           0       -4.089376   -0.175250    4.921044
     48          1           0       -2.315372    0.021065    4.742673
     49          1           0       -3.237824    1.164503    5.765621
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.488374   0.000000
     3  O    3.727356   1.243396   0.000000
     4  N    3.311467   1.360810   2.315740   0.000000
     5  H    3.951243   1.108434   2.058093   2.057587   0.000000
     6  C    3.832336   2.466968   3.636205   1.463445   2.563308
     7  H    4.258090   2.553150   3.796289   2.105031   2.159958
     8  H    3.347636   3.152480   4.235702   2.109603   3.285969
     9  H    4.778948   3.212689   4.312632   2.108474   3.367519
    10  C    3.453434   2.469937   2.864904   1.464976   3.418616
    11  H    3.163835   3.258876   3.749307   2.101825   4.089505
    12  H    3.312623   2.569152   2.461906   2.102664   3.652712
    13  H    4.552055   3.097910   3.461847   2.119097   3.992174
    14  C    3.546045   6.472377   6.140193   6.379942   7.154148
    15  O    3.930385   7.186574   6.992372   7.054912   7.746036
    16  N    3.295044   5.735601   5.224977   5.905432   6.400669
    17  H    3.916363   6.617022   6.275538   6.370731   7.418053
    18  C    3.520066   5.834157   5.337735   6.247378   6.282543
    19  H    3.218147   4.979130   4.442311   5.566830   5.362780
    20  H    4.616283   6.710889   6.089058   7.221237   7.147492
    21  H    3.440795   6.178345   5.882308   6.491123   6.514191
    22  C    3.682723   5.260326   4.527661   5.493791   6.079552
    23  H    4.690122   5.966330   5.075604   6.353454   6.757450
    24  H    3.191610   4.217388   3.436169   4.579544   5.034246
    25  H    3.973700   5.547226   4.886830   5.547490   6.474735
    26  C    3.640086   5.446212   6.163905   4.338481   5.883622
    27  O    4.114584   5.833572   6.701487   4.789722   6.050001
    28  N    3.276767   5.770178   6.252525   4.825325   6.329370
    29  H    3.990848   5.137112   5.854651   3.890865   5.675302
    30  C    3.634579   5.886883   6.134467   4.968065   6.653791
    31  H    4.656852   6.975284   7.190170   6.032980   7.753307
    32  H    3.155633   5.650117   5.705711   4.951029   6.459247
    33  H    3.885969   5.447867   5.722030   4.414498   6.281759
    34  C    3.534569   6.592937   7.027078   5.836990   7.036324
    35  H    4.632346   7.643499   8.085473   6.818379   8.095167
    36  H    3.455930   6.454612   7.009043   5.766252   6.729936
    37  H    3.253776   6.571025   6.822751   5.986182   7.073190
    38  C    3.533249   4.888964   5.258266   5.344100   4.500969
    39  O    3.914717   4.258852   4.671392   4.917644   3.667035
    40  N    3.284515   5.213321   5.765413   5.321885   4.914495
    41  H    3.904026   5.582203   5.742051   6.113440   5.301978
    42  C    3.514184   4.921304   5.748485   4.772960   4.543030
    43  H    3.480401   4.060136   4.975232   4.014291   3.553157
    44  H    4.604734   5.844503   6.731445   5.682155   5.345112
    45  H    3.179265   5.005101   5.847805   4.581097   4.834556
    46  C    3.659423   6.316151   6.762947   6.294345   6.181665
    47  H    3.960802   6.683495   6.947397   6.821597   6.588875
    48  H    3.154317   6.179972   6.626086   5.965810   6.215022
    49  H    4.661925   7.194859   7.734495   7.110305   6.971567
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098862   0.000000
     8  H    1.102048   1.797061   0.000000
     9  H    1.102201   1.795857   1.792000   0.000000
    10  C    2.489378   3.417507   2.784363   2.736956   0.000000
    11  H    2.627674   3.668069   2.479911   2.870331   1.101354
    12  H    3.394265   4.193285   3.654254   3.779646   1.097880
    13  H    2.910349   3.838236   3.384068   2.737008   1.102547
    14  C    7.164651   7.742653   6.647402   7.951137   5.877921
    15  O    7.649052   8.163610   6.998694   8.474736   6.679767
    16  N    6.861258   7.336247   6.523499   7.709264   5.550191
    17  H    7.193106   7.900070   6.692753   7.858678   5.628690
    18  C    7.129076   7.395442   6.824028   8.093659   6.223727
    19  H    6.498142   6.668223   6.327229   7.487260   5.719125
    20  H    8.163420   8.401221   7.902094   9.124930   7.176280
    21  H    7.173800   7.395455   6.732452   8.172638   6.562222
    22  C    6.670499   7.208786   6.533586   7.417009   4.973910
    23  H    7.599097   8.082999   7.537878   8.343157   5.865873
    24  H    5.821958   6.296860   5.809995   6.588430   4.215220
    25  H    6.709059   7.389751   6.538329   7.333166   4.753789
    26  C    3.915933   4.722917   2.929260   4.205197   4.015378
    27  O    4.036273   4.622028   2.955914   4.352223   4.805219
    28  N    4.763397   5.576034   3.842059   5.194916   4.305417
    29  H    3.523336   4.480397   2.735386   3.581000   3.364274
    30  C    5.256444   6.193446   4.547262   5.595524   4.059401
    31  H    6.275579   7.229363   5.538518   6.532686   5.051820
    32  H    5.483277   6.353859   4.861723   5.970330   4.071087
    33  H    4.747484   5.771906   4.191163   4.925728   3.324287
    34  C    5.747768   6.392939   4.759199   6.327574   5.505468
    35  H    6.655942   7.328841   5.637923   7.138515   6.399343
    36  H    5.495476   5.982436   4.458393   6.153181   5.710286
    37  H    6.138530   6.763740   5.245367   6.814170   5.610515
    38  C    5.393342   5.032540   5.067163   6.481576   6.263797
    39  O    4.985711   4.443220   4.904527   6.053329   6.033307
    40  N    5.123480   4.888444   4.545645   6.159421   6.130364
    41  H    6.325526   6.039614   5.984113   7.423919   6.900655
    42  C    4.205974   3.921284   3.557350   5.145277   5.677076
    43  H    3.434092   2.975797   3.023033   4.405494   5.109835
    44  H    4.931252   4.523716   4.290263   5.773253   6.640120
    45  H    3.965442   3.955010   3.094417   4.820728   5.256008
    46  C    6.141194   6.082610   5.398117   7.132502   6.853207
    47  H    6.863638   6.804948   6.199908   7.896223   7.332631
    48  H    5.837579   5.972739   4.989888   6.767800   6.318904
    49  H    6.775760   6.652255   5.978670   7.714860   7.715271
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795507   0.000000
    13  H    1.791380   1.798017   0.000000
    14  C    5.487579   5.253932   6.815279   0.000000
    15  O    6.172871   6.189531   7.660229   1.242931   0.000000
    16  N    5.410885   4.789283   6.506666   1.360822   2.315694
    17  H    5.184781   4.991830   6.455990   1.108108   2.057658
    18  C    6.180266   5.525063   7.244682   2.468610   2.862709
    19  H    5.834824   5.030706   6.732487   3.270361   3.777982
    20  H    7.188568   6.400128   8.161467   3.076257   3.411727
    21  H    6.380743   6.011403   7.631038   2.576337   2.480868
    22  C    5.050965   4.029359   5.797613   2.466712   3.636438
    23  H    6.047934   4.855512   6.621742   3.175660   4.277790
    24  H    4.465388   3.260563   5.058305   3.195630   4.279894
    25  H    4.727997   3.818758   5.469817   2.550894   3.793003
    26  C    2.975584   4.610022   4.619088   5.642069   5.747877
    27  O    3.875138   5.492454   5.412440   6.411366   6.345143
    28  N    3.271948   4.591824   5.033619   4.464708   4.535121
    29  H    2.315719   4.080454   3.767073   6.067985   6.371173
    30  C    3.089491   4.114559   4.678367   4.029748   4.402568
    31  H    4.079201   5.087326   5.560321   4.433489   4.691573
    32  H    3.290145   3.849217   4.819215   2.987212   3.521120
    33  H    2.361390   3.487832   3.766289   4.739571   5.289957
    34  C    4.554852   5.671656   6.344270   4.145284   3.816254
    35  H    5.388947   6.592840   7.155426   4.792974   4.334908
    36  H    4.824305   5.969447   6.595774   4.687222   4.254854
    37  H    4.768949   5.563678   6.521834   3.106862   2.719488
    38  C    6.229148   6.253581   7.285517   5.917128   5.803074
    39  O    6.191660   6.061703   6.971936   6.644940   6.715526
    40  N    5.869225   6.270117   7.151893   5.756061   5.485985
    41  H    6.861491   6.738527   7.957738   5.606480   5.409807
    42  C    5.358157   6.068593   6.591907   6.501339   6.320547
    43  H    4.972471   5.545298   5.967267   6.795990   6.804948
    44  H    6.298626   7.103592   7.497063   7.469403   7.179660
    45  H    4.748647   5.707684   6.156842   6.070266   5.878127
    46  C    6.417115   6.920308   7.906320   5.270912   4.709987
    47  H    6.969598   7.242649   8.418781   4.970348   4.348256
    48  H    5.751256   6.397378   7.360245   4.596697   4.024936
    49  H    7.222455   7.873894   8.734495   6.212536   5.529737
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056750   0.000000
    18  C    1.465131   3.417079   0.000000
    19  H    2.097899   4.091747   1.101571   0.000000
    20  H    2.122532   3.983894   1.102791   1.791905   0.000000
    21  H    2.102889   3.653970   1.097800   1.797146   1.797252
    22  C    1.463236   2.561645   2.491444   2.609409   2.937079
    23  H    2.115435   3.305521   2.798614   2.930796   2.827032
    24  H    2.107122   3.350026   2.732892   2.393805   3.340566
    25  H    2.104692   2.156093   3.418414   3.630008   3.892242
    26  C    6.130344   5.464584   6.794867   6.764424   7.868502
    27  O    6.871442   6.392591   7.329694   7.254894   8.415681
    28  N    5.138551   4.241104   5.930291   6.085630   6.954770
    29  H    6.446377   5.753015   7.216118   7.099167   8.281366
    30  C    4.732120   3.472647   5.819008   6.038335   6.760510
    31  H    5.340726   3.740204   6.506037   6.858646   7.372969
    32  H    3.665504   2.416564   4.827764   5.110976   5.726524
    33  H    5.223717   4.120982   6.329443   6.395873   7.280315
    34  C    5.005689   4.167384   5.614360   5.945772   6.584186
    35  H    5.817794   4.711128   6.484343   6.916099   7.390387
    36  H    5.380146   4.914266   5.725410   5.951038   6.723879
    37  H    4.056765   3.228135   4.697034   5.159574   5.611040
    38  C    5.409373   6.740158   4.548348   3.990901   5.329679
    39  O    5.968714   7.388817   5.145189   4.366827   5.899245
    40  N    5.553245   6.505139   4.938531   4.598738   5.836437
    41  H    5.057250   6.544076   3.980946   3.535152   4.612459
    42  C    6.385557   7.070127   6.015959   5.616581   7.001159
    43  H    6.508250   7.307559   6.158858   5.586567   7.146921
    44  H    7.407147   8.059120   6.971404   6.596633   7.917322
    45  H    6.146198   6.518920   6.014245   5.745485   7.056963
    46  C    5.348529   6.078851   4.775080   4.765445   5.614116
    47  H    4.959038   5.908731   4.171012   4.257092   4.868830
    48  H    4.886498   5.291202   4.609071   4.728940   5.530968
    49  H    6.390943   6.998854   5.813472   5.839366   6.600881
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389267   0.000000
    23  H    3.832364   1.102413   0.000000
    24  H    3.603701   1.102625   1.789840   0.000000
    25  H    4.177376   1.098967   1.797689   1.795196   0.000000
    26  C    6.520263   6.445646   7.547748   6.178622   6.145662
    27  O    6.914269   7.322567   8.419461   6.998461   7.149297
    28  N    5.652940   5.576167   6.665602   5.514286   5.225154
    29  H    7.094866   6.514165   7.598535   6.169480   6.116353
    30  C    5.772706   4.906878   5.952654   4.979049   4.311848
    31  H    6.426104   5.564222   6.545834   5.798103   4.858625
    32  H    4.870155   3.861848   4.896211   4.044637   3.292321
    33  H    6.413287   5.111860   6.140777   5.025461   4.452656
    34  C    5.101292   5.801929   6.840723   5.889688   5.600985
    35  H    5.932986   6.641642   7.649493   6.833188   6.347275
    36  H    5.086605   6.255095   7.288791   6.216243   6.217520
    37  H    4.197037   4.977525   5.965142   5.202033   4.831452
    38  C    4.049091   6.120614   6.773002   5.561788   6.855759
    39  O    4.870696   6.420986   7.027375   5.683833   7.169621
    40  N    4.271961   6.387040   7.185629   5.926618   6.957534
    41  H    3.405727   5.905201   6.439063   5.483540   6.734981
    42  C    5.448077   7.049329   7.949340   6.489571   7.466267
    43  H    5.766368   6.961134   7.836712   6.255613   7.390703
    44  H    6.324035   8.127607   9.015967   7.581967   8.549638
    45  H    5.444624   6.815934   7.796642   6.340717   7.084843
    46  C    3.875762   6.441299   7.236885   6.224397   6.957992
    47  H    3.190821   6.153456   6.825963   6.031344   6.781611
    48  H    3.746177   5.981377   6.864348   5.849778   6.349824
    49  H    4.861683   7.519708   8.316514   7.321031   8.005289
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242766   0.000000
    28  N    1.360829   2.314553   0.000000
    29  H    1.107872   2.057853   2.057148   0.000000
    30  C    2.465526   3.634299   1.463154   2.561846   0.000000
    31  H    3.131927   4.223037   2.117246   3.254010   1.103004
    32  H    3.234303   4.326700   2.107956   3.397220   1.101813
    33  H    2.554060   3.796533   2.103146   2.163063   1.098625
    34  C    2.462433   2.850229   1.465277   3.413604   2.497743
    35  H    3.020511   3.314724   2.124166   3.940401   2.958120
    36  H    2.586476   2.503558   2.100189   3.659273   3.387819
    37  H    3.293832   3.810401   2.097795   4.115735   2.611722
    38  C    6.181950   5.953238   6.136513   6.760689   6.943899
    39  O    6.579255   6.367500   6.700985   6.991478   7.439410
    40  N    5.230248   4.854070   5.236890   5.947852   6.244007
    41  H    6.816975   6.677255   6.568094   7.443038   7.273160
    42  C    4.523121   3.929675   4.897941   5.177241   6.054244
    43  H    4.706510   4.229658   5.211041   5.145036   6.232970
    44  H    5.189880   4.380262   5.669176   5.884515   6.928282
    45  H    3.490884   2.870680   3.894670   4.235631   5.139402
    46  C    5.294241   4.941266   5.029705   6.185463   6.063040
    47  H    6.094750   5.884158   5.648898   6.955526   6.506892
    48  H    4.402969   4.164480   4.009191   5.342850   5.052340
    49  H    5.761277   5.203658   5.603841   6.720409   6.767957
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787874   0.000000
    33  H    1.798811   1.793541   0.000000
    34  C    2.819139   2.732435   3.420526   0.000000
    35  H    2.867416   3.352885   3.912714   1.103401   0.000000
    36  H    3.848639   3.595305   4.167878   1.097481   1.796237
    37  H    2.945003   2.390938   3.627610   1.099674   1.791583
    38  C    7.881883   6.531486   7.289733   5.824385   6.805036
    39  O    8.451905   7.057087   7.614790   6.625393   7.653046
    40  N    7.117050   5.987871   6.672497   4.808044   5.721892
    41  H    8.152453   6.727832   7.719854   6.096469   7.040271
    42  C    6.948189   6.042084   6.334894   4.725161   5.603049
    43  H    7.213713   6.211682   6.335929   5.314806   6.262368
    44  H    7.760690   6.996933   7.227135   5.396306   6.149336
    45  H    5.983085   5.249134   5.456397   3.755642   4.602772
    46  C    6.773739   5.776858   6.708451   4.215290   4.981212
    47  H    7.189620   6.050893   7.201976   4.767346   5.518856
    48  H    5.710350   4.816365   5.764177   3.119139   3.895778
    49  H    7.400661   6.596885   7.440801   4.679700   5.278070
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796216   0.000000
    38  C    5.123394   5.617878   0.000000
    39  O    5.959276   6.481462   1.242536   0.000000
    40  N    3.975516   4.770461   1.361438   2.317223   0.000000
    41  H    5.473573   5.709960   1.108939   2.058101   2.056283
    42  C    3.816556   5.001006   2.470724   2.868109   1.465248
    43  H    4.529470   5.574212   2.569262   2.469640   2.101098
    44  H    4.386755   5.769563   3.094359   3.451117   2.119590
    45  H    2.849597   4.179205   3.263461   3.762920   2.102133
    46  C    3.378084   4.074159   2.465062   3.635469   1.463132
    47  H    4.093522   4.382174   2.547244   3.788691   2.104505
    48  H    2.329419   3.001037   3.186538   4.269835   2.107552
    49  H    3.722902   4.693399   3.183005   4.288420   2.115735
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418128   0.000000
    43  H    3.650504   1.097486   0.000000
    44  H    3.993060   1.102836   1.799149   0.000000
    45  H    4.088244   1.101346   1.796589   1.790202   0.000000
    46  C    2.556373   2.491898   3.393397   2.916780   2.628116
    47  H    2.147737   3.418948   4.181242   3.874065   3.646520
    48  H    3.335143   2.739959   3.623215   3.324337   2.418412
    49  H    3.310592   2.793978   3.825530   2.795888   2.951470
                   46         47         48         49
    46  C    0.000000
    47  H    1.098888   0.000000
    48  H    1.102757   1.793724   0.000000
    49  H    1.102401   1.798162   1.790193   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143820      0.1930520      0.1845337
 Leave Link  202 at Mon Nov 14 01:52:41 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1468984902 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840555828 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9628429073 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4031
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.97D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     220
 GePol: Fraction of low-weight points (<1% of avg)   =       5.46%
 GePol: Cavity surface area                          =    466.784 Ang**2
 GePol: Cavity volume                                =    457.910 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040230578 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9588198495 Hartrees.
 Leave Link  301 at Mon Nov 14 01:52:41 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:52:42 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:52:43 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000860    0.000040    0.000097
         Rot=    1.000000    0.000035    0.000049   -0.000017 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50883575938    
 Leave Link  401 at Mon Nov 14 01:52:49 2016, MaxMem=  2952790016 cpu:        78.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48746883.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.24D-14 for   3709.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.44D-15 for   1620   1066.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.99D-15 for   3923.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.56D-09 for   2631   1830.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.03D-14 for    348.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.35D-14 for   2326    133.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.22D-15 for   1868.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.02D-15 for   3174    423.
 E= -1013.45123243541    
 DIIS: error= 1.56D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45123243541     IErMin= 1 ErrMin= 1.56D-04
 ErrMax= 1.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-05 BMatP= 2.12D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.56D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.71D-05 MaxDP=1.11D-03              OVMax= 1.69D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.71D-05    CP:  1.00D+00
 E= -1013.45127435117     Delta-E=       -0.000041915759 Rises=F Damp=F
 DIIS: error= 1.21D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45127435117     IErMin= 2 ErrMin= 1.21D-05
 ErrMax= 1.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-07 BMatP= 2.12D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.815D-02 0.992D+00
 Coeff:      0.815D-02 0.992D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.24D-06 MaxDP=1.29D-04 DE=-4.19D-05 OVMax= 2.94D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.21D-06    CP:  1.00D+00  9.85D-01
 E= -1013.45127397721     Delta-E=        0.000000373959 Rises=F Damp=F
 DIIS: error= 3.33D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45127435117     IErMin= 2 ErrMin= 1.21D-05
 ErrMax= 3.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.83D-07 BMatP= 1.36D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.128D-02 0.690D+00 0.309D+00
 Coeff:      0.128D-02 0.690D+00 0.309D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.25D-06 MaxDP=1.16D-04 DE= 3.74D-07 OVMax= 2.62D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.20D-06    CP:  1.00D+00  9.90D-01  4.11D-01
 E= -1013.45127444729     Delta-E=       -0.000000470075 Rises=F Damp=F
 DIIS: error= 8.19D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45127444729     IErMin= 4 ErrMin= 8.19D-06
 ErrMax= 8.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-08 BMatP= 1.36D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.106D-03 0.288D+00 0.213D+00 0.500D+00
 Coeff:     -0.106D-03 0.288D+00 0.213D+00 0.500D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.90D-07 MaxDP=3.66D-05 DE=-4.70D-07 OVMax= 5.11D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.32D-07    CP:  1.00D+00  9.92D-01  4.51D-01  6.12D-01
 E= -1013.45127447777     Delta-E=       -0.000000030480 Rises=F Damp=F
 DIIS: error= 2.99D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45127447777     IErMin= 5 ErrMin= 2.99D-06
 ErrMax= 2.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-09 BMatP= 3.90D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.803D-04 0.145D+00 0.121D+00 0.330D+00 0.403D+00
 Coeff:     -0.803D-04 0.145D+00 0.121D+00 0.330D+00 0.403D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.52D-07 MaxDP=8.98D-06 DE=-3.05D-08 OVMax= 1.27D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.18D-07    CP:  1.00D+00  9.92D-01  4.44D-01  6.21D-01  7.21D-01
 E= -1013.45127448079     Delta-E=       -0.000000003023 Rises=F Damp=F
 DIIS: error= 3.07D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45127448079     IErMin= 6 ErrMin= 3.07D-07
 ErrMax= 3.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.79D-11 BMatP= 3.65D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.346D-04 0.494D-01 0.425D-01 0.122D+00 0.188D+00 0.598D+00
 Coeff:     -0.346D-04 0.494D-01 0.425D-01 0.122D+00 0.188D+00 0.598D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.13D-08 MaxDP=1.29D-06 DE=-3.02D-09 OVMax= 1.79D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.79D-08    CP:  1.00D+00  9.92D-01  4.46D-01  6.24D-01  7.13D-01
                    CP:  8.97D-01
 E= -1013.45127448077     Delta-E=        0.000000000021 Rises=F Damp=F
 DIIS: error= 1.25D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -1013.45127448079     IErMin= 7 ErrMin= 1.25D-07
 ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-11 BMatP= 6.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.107D-04 0.879D-02 0.817D-02 0.257D-01 0.532D-01 0.343D+00
 Coeff-Com:  0.561D+00
 Coeff:     -0.107D-04 0.879D-02 0.817D-02 0.257D-01 0.532D-01 0.343D+00
 Coeff:      0.561D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.08D-08 MaxDP=4.84D-07 DE= 2.14D-11 OVMax= 6.21D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.41D-09    CP:  1.00D+00  9.92D-01  4.46D-01  6.25D-01  7.17D-01
                    CP:  9.01D-01  7.25D-01
 E= -1013.45127448089     Delta-E=       -0.000000000116 Rises=F Damp=F
 DIIS: error= 1.63D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45127448089     IErMin= 8 ErrMin= 1.63D-08
 ErrMax= 1.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-13 BMatP= 1.29D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.280D-05 0.985D-03 0.112D-02 0.397D-02 0.115D-01 0.105D+00
 Coeff-Com:  0.222D+00 0.655D+00
 Coeff:     -0.280D-05 0.985D-03 0.112D-02 0.397D-02 0.115D-01 0.105D+00
 Coeff:      0.222D+00 0.655D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.66D-09 MaxDP=1.27D-07 DE=-1.16D-10 OVMax= 2.03D-07

 Error on total polarization charges =  0.04302
 SCF Done:  E(RB97D) =  -1013.45127448     A.U. after    8 cycles
            NFock=  8  Conv=0.27D-08     -V/T= 2.0213
 KE= 9.923487172049D+02 PE=-6.027412398669D+03 EE= 2.173653587133D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:54:31 2016, MaxMem=  2952790016 cpu:      1162.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 01:54:39 2016, MaxMem=  2952790016 cpu:        96.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:54:40 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:55:16 2016, MaxMem=  2952790016 cpu:       439.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.25560041D+00-2.71010720D+00 3.28887434D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000011010   -0.000190315   -0.000109088
      2        6           0.000066520    0.000121493    0.000079887
      3        8           0.000026976   -0.000030512    0.000044524
      4        7           0.000054405    0.000029734   -0.000071359
      5        1           0.000027322    0.000035697   -0.000083264
      6        6           0.000113972   -0.000014089   -0.000029811
      7        1          -0.000017698   -0.000019981    0.000094855
      8        1           0.000025123   -0.000010944   -0.000023134
      9        1          -0.000003461    0.000090137    0.000058936
     10        6           0.000051797    0.000009612    0.000067252
     11        1           0.000004693    0.000068779    0.000072858
     12        1           0.000002679    0.000039002   -0.000012511
     13        1           0.000036996    0.000025447    0.000030962
     14        6          -0.000009348   -0.000020955   -0.000060626
     15        8          -0.000007285    0.000001554   -0.000012442
     16        7          -0.000005840    0.000003954   -0.000011673
     17        1          -0.000007503   -0.000008050   -0.000019690
     18        6           0.000018144    0.000026833   -0.000001242
     19        1          -0.000016939    0.000022215    0.000024593
     20        1          -0.000005865    0.000002281   -0.000057906
     21        1          -0.000024121   -0.000037255   -0.000035219
     22        6           0.000004828    0.000009752   -0.000035621
     23        1           0.000006674    0.000008519   -0.000016749
     24        1           0.000015374    0.000022274   -0.000021281
     25        1           0.000004965   -0.000000283   -0.000032419
     26        6           0.000020705    0.000021941    0.000008823
     27        8          -0.000027708   -0.000010771    0.000033814
     28        7           0.000012552    0.000005447   -0.000001730
     29        1           0.000012258    0.000003284    0.000038678
     30        6          -0.000051022   -0.000051669   -0.000050231
     31        1          -0.000005345    0.000012303    0.000033008
     32        1           0.000001063   -0.000005251   -0.000026491
     33        1           0.000023523   -0.000005268    0.000027348
     34        6          -0.000015039   -0.000041255   -0.000019860
     35        1          -0.000020436   -0.000032038    0.000001379
     36        1           0.000011591   -0.000017248    0.000047585
     37        1          -0.000044234   -0.000003824   -0.000009888
     38        6           0.000076568    0.000048459   -0.000027404
     39        8           0.000017854   -0.000019360   -0.000012667
     40        7          -0.000077755    0.000063600    0.000073278
     41        1          -0.000018862   -0.000019508   -0.000023389
     42        6          -0.000090347   -0.000243133    0.000212338
     43        1          -0.000005334    0.000080938    0.000024985
     44        1           0.000040430    0.000083928   -0.000109648
     45        1          -0.000122914    0.000048857    0.000047692
     46        6           0.000073609   -0.000075215   -0.000152263
     47        1          -0.000020809    0.000000350    0.000014234
     48        1          -0.000113994   -0.000007695    0.000040650
     49        1          -0.000027752   -0.000021771   -0.000010073
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000243133 RMS     0.000054355
 Leave Link  716 at Mon Nov 14 01:55:16 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000070803 RMS     0.000012094
 Search for a local minimum.
 Step number  37 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .12094D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   28   29   30   31   32
                                                     33   34   35   36   37
 DE= -7.79D-06 DEPred=-3.16D-06 R= 2.47D+00
 TightC=F SS=  1.41D+00  RLast= 6.93D-02 DXNew= 2.2445D+00 2.0794D-01
 Trust test= 2.47D+00 RLast= 6.93D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00011   0.00062   0.00092   0.00133   0.00170
     Eigenvalues ---    0.00265   0.00350   0.00379   0.00484   0.00519
     Eigenvalues ---    0.00630   0.00686   0.00752   0.00776   0.00812
     Eigenvalues ---    0.00869   0.00989   0.01020   0.01042   0.01130
     Eigenvalues ---    0.01183   0.01228   0.01294   0.01332   0.01405
     Eigenvalues ---    0.01489   0.01575   0.01632   0.01655   0.01708
     Eigenvalues ---    0.01798   0.01841   0.01880   0.01906   0.01952
     Eigenvalues ---    0.02000   0.02122   0.02269   0.02312   0.02408
     Eigenvalues ---    0.02496   0.02696   0.02758   0.03078   0.03132
     Eigenvalues ---    0.03818   0.04258   0.04371   0.04590   0.04825
     Eigenvalues ---    0.05374   0.05697   0.05933   0.06095   0.06277
     Eigenvalues ---    0.06428   0.06598   0.06886   0.07141   0.07207
     Eigenvalues ---    0.07573   0.07708   0.07989   0.08034   0.08198
     Eigenvalues ---    0.08252   0.08297   0.08520   0.08669   0.08757
     Eigenvalues ---    0.08883   0.08899   0.09248   0.09338   0.09636
     Eigenvalues ---    0.09824   0.09900   0.10013   0.10092   0.10297
     Eigenvalues ---    0.10478   0.10567   0.10615   0.10671   0.11144
     Eigenvalues ---    0.11281   0.11371   0.11492   0.12134   0.13219
     Eigenvalues ---    0.13462   0.13869   0.14529   0.15176   0.15314
     Eigenvalues ---    0.15580   0.16292   0.21959   0.23136   0.23427
     Eigenvalues ---    0.23778   0.24496   0.24896   0.25767   0.26481
     Eigenvalues ---    0.27012   0.27767   0.28575   0.29274   0.29685
     Eigenvalues ---    0.29855   0.30018   0.32722   0.32727   0.32821
     Eigenvalues ---    0.32827   0.33301   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33427   0.33453   0.33490   0.33688
     Eigenvalues ---    0.33793   0.33825   0.33831   0.33916   0.33935
     Eigenvalues ---    0.33993   0.34013   0.34140   0.37270   0.39353
     Eigenvalues ---    0.40544   0.41379   0.85949   0.85999   0.86093
     Eigenvalues ---    0.87219
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    37   36   35   34   33
 RFO step:  Lambda=-8.79472299D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.66D-06 SmlDif=  1.00D-05
 RMS Error=  0.1527263463D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.24217    1.90176   -6.60163    3.39146    1.06624
 Iteration  1 RMS(Cart)=  0.00502349 RMS(Int)=  0.00033098
 Iteration  2 RMS(Cart)=  0.00020596 RMS(Int)=  0.00004391
 Iteration  3 RMS(Cart)=  0.00000081 RMS(Int)=  0.00004390
 ITry= 1 IFail=0 DXMaxC= 5.10D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59207  -0.00001  -0.00262  -0.00322  -0.00581   6.58627
    R2        6.25777   0.00003  -0.00042   0.00248   0.00206   6.25983
    R3        7.24207   0.00004   0.00157   0.01177   0.01333   7.25540
    R4        6.32611   0.00002   0.01125   0.01599   0.02728   6.35339
    R5        6.52604   0.00000   0.00532  -0.00439   0.00100   6.52705
    R6        5.97878  -0.00002  -0.00079  -0.00128  -0.00209   5.97669
    R7        6.70105   0.00001  -0.00038  -0.00149  -0.00185   6.69920
    R8        6.22673   0.00001   0.00129   0.00003   0.00136   6.22809
    R9        6.65196   0.00000   0.00170   0.00153   0.00324   6.65520
   R10        6.08142   0.00000  -0.00354   0.00078  -0.00274   6.07868
   R11        6.95934   0.00000  -0.00027  -0.00057  -0.00082   6.95852
   R12        6.03127   0.00000  -0.00171   0.00050  -0.00123   6.03004
   R13        6.87877   0.00003   0.00045  -0.00641  -0.00597   6.87279
   R14        6.19219   0.00000  -0.00109  -0.00166  -0.00276   6.18943
   R15        6.86836  -0.00001  -0.00175  -0.00050  -0.00226   6.86610
   R16        5.96328  -0.00001   0.00014   0.00094   0.00107   5.96436
   R17        6.67937  -0.00001  -0.00087   0.00024  -0.00062   6.67875
   R18        6.67687  -0.00003  -0.00073  -0.00134  -0.00208   6.67479
   R19        6.20683   0.00002   0.00090   0.00073   0.00157   6.20841
   R20        6.64084   0.00003  -0.00813  -0.00486  -0.01304   6.62780
   R21        6.00794   0.00005   0.00852   0.00319   0.01194   6.01988
   R22        6.91531  -0.00003   0.00805   0.00217   0.01014   6.92544
   R23        5.96080   0.00003   0.00561  -0.00107   0.00454   5.96533
   R24        2.34968   0.00003   0.00003   0.00007   0.00010   2.34978
   R25        2.57156  -0.00002   0.00022  -0.00033  -0.00015   2.57141
   R26        2.09464  -0.00001  -0.00007  -0.00001  -0.00008   2.09456
   R27        2.76551   0.00000   0.00081  -0.00041   0.00025   2.76576
   R28        2.76840  -0.00001   0.00008  -0.00026  -0.00023   2.76818
   R29        2.07655   0.00000  -0.00018   0.00014  -0.00004   2.07651
   R30        2.08257  -0.00002   0.00059  -0.00039   0.00022   2.08279
   R31        2.08286  -0.00001   0.00015   0.00003   0.00018   2.08303
   R32        2.08126   0.00000   0.00003  -0.00004  -0.00010   2.08115
   R33        2.07469   0.00000  -0.00004   0.00000  -0.00004   2.07465
   R34        2.08351   0.00000   0.00005  -0.00004   0.00002   2.08353
   R35        2.34880   0.00002  -0.00008   0.00001  -0.00007   2.34873
   R36        2.57158  -0.00001   0.00015  -0.00012  -0.00005   2.57153
   R37        2.09402   0.00000   0.00002   0.00003   0.00004   2.09407
   R38        2.76870   0.00000   0.00007  -0.00006  -0.00004   2.76866
   R39        2.76512   0.00000   0.00005  -0.00001  -0.00006   2.76506
   R40        2.08167   0.00000   0.00010  -0.00005   0.00004   2.08170
   R41        2.08397   0.00000  -0.00002   0.00002   0.00000   2.08397
   R42        2.07454  -0.00001  -0.00003  -0.00002  -0.00005   2.07449
   R43        2.08326   0.00000  -0.00005   0.00001  -0.00004   2.08322
   R44        2.08366   0.00001  -0.00016   0.00012  -0.00003   2.08363
   R45        2.07675   0.00000  -0.00002   0.00000  -0.00001   2.07673
   R46        2.34849   0.00000   0.00002  -0.00006  -0.00004   2.34844
   R47        2.57159   0.00002   0.00022  -0.00009   0.00013   2.57173
   R48        2.09357   0.00000  -0.00009   0.00007  -0.00002   2.09356
   R49        2.76496   0.00002   0.00007   0.00003   0.00011   2.76507
   R50        2.76897   0.00001  -0.00011   0.00016   0.00004   2.76902
   R51        2.08438   0.00000  -0.00003   0.00000  -0.00003   2.08435
   R52        2.08212  -0.00001  -0.00001   0.00000   0.00005   2.08218
   R53        2.07610  -0.00001   0.00000  -0.00002  -0.00002   2.07608
   R54        2.08513   0.00000   0.00006  -0.00004   0.00002   2.08515
   R55        2.07394   0.00000   0.00004   0.00004   0.00008   2.07402
   R56        2.07808   0.00001   0.00001  -0.00002  -0.00001   2.07807
   R57        2.34805  -0.00001  -0.00007   0.00005  -0.00002   2.34803
   R58        2.57275  -0.00003   0.00004  -0.00025  -0.00022   2.57253
   R59        2.09559   0.00001   0.00011  -0.00001   0.00010   2.09569
   R60        2.76892  -0.00004   0.00061  -0.00022   0.00038   2.76930
   R61        2.76492  -0.00004  -0.00043  -0.00006  -0.00050   2.76442
   R62        2.07395   0.00002   0.00029   0.00016   0.00046   2.07440
   R63        2.08406  -0.00001  -0.00024   0.00006  -0.00018   2.08388
   R64        2.08124  -0.00005  -0.00031  -0.00014  -0.00036   2.08088
   R65        2.07660  -0.00001  -0.00009   0.00001  -0.00008   2.07651
   R66        2.08391  -0.00005   0.00003  -0.00015  -0.00017   2.08373
   R67        2.08324  -0.00001   0.00000   0.00001   0.00001   2.08325
    A1        0.68122  -0.00001   0.00027  -0.00082  -0.00056   0.68067
    A2        0.95778  -0.00001   0.00104  -0.00118  -0.00017   0.95761
    A3        0.72749   0.00000   0.00012   0.00032   0.00043   0.72791
    A4        1.01968  -0.00001   0.00008   0.00014   0.00024   1.01993
    A5        2.33665   0.00001   0.00026   0.00164   0.00191   2.33856
    A6        2.01461   0.00001   0.00048   0.00173   0.00224   2.01685
    A7        1.96701   0.00001   0.00071   0.00167   0.00242   1.96943
    A8        1.67192   0.00002   0.00118   0.00178   0.00300   1.67492
    A9        1.64637   0.00001   0.00035   0.00164   0.00204   1.64841
   A10        1.36415   0.00001   0.00042   0.00165   0.00212   1.36627
   A11        1.73863  -0.00001   0.00014  -0.00081  -0.00064   1.73798
   A12        2.04254  -0.00001  -0.00022  -0.00011  -0.00030   2.04224
   A13        1.94532  -0.00001  -0.00086   0.00044  -0.00041   1.94491
   A14        2.03197  -0.00001  -0.00078   0.00095   0.00018   2.03215
   A15        2.43808  -0.00001   0.00001  -0.00034  -0.00029   2.43779
   A16        1.54034   0.00000   0.00229  -0.00024   0.00202   1.54236
   A17        1.75610   0.00000   0.00224  -0.00132   0.00092   1.75701
   A18        1.55860   0.00000   0.00128  -0.00244  -0.00111   1.55750
   A19        1.69621  -0.00001   0.00365  -0.00125   0.00240   1.69861
   A20        2.16690  -0.00001   0.00161  -0.00147   0.00014   2.16704
   A21        2.38969  -0.00001   0.00240  -0.00162   0.00078   2.39047
   A22        0.64462  -0.00001  -0.00066  -0.00125  -0.00191   0.64271
   A23        0.65964  -0.00001   0.00003  -0.00026  -0.00022   0.65942
   A24        2.39032   0.00000   0.00065   0.00084   0.00150   2.39181
   A25        2.21185   0.00001   0.00112   0.00136   0.00249   2.21435
   A26        2.30809   0.00001   0.00123   0.00158   0.00283   2.31092
   A27        2.04157   0.00001   0.00172   0.00176   0.00352   2.04509
   A28        1.80471   0.00001   0.00107   0.00130   0.00240   1.80711
   A29        1.56228   0.00000   0.00107   0.00154   0.00263   1.56491
   A30        1.34516  -0.00001  -0.00010  -0.00066  -0.00073   1.34443
   A31        1.64370  -0.00001  -0.00033  -0.00028  -0.00059   1.64311
   A32        1.59181  -0.00001  -0.00071  -0.00026  -0.00097   1.59083
   A33        1.74337  -0.00001  -0.00045  -0.00004  -0.00049   1.74288
   A34        2.04126  -0.00001  -0.00022  -0.00025  -0.00045   2.04081
   A35        1.79093   0.00000   0.00277   0.00147   0.00423   1.79516
   A36        1.87755   0.00000   0.00266   0.00054   0.00322   1.88076
   A37        1.54784   0.00001   0.00167  -0.00031   0.00142   1.54926
   A38        1.56666   0.00000   0.00388   0.00069   0.00460   1.57126
   A39        2.25197   0.00000   0.00188  -0.00015   0.00176   2.25373
   A40        2.34967   0.00000   0.00308  -0.00002   0.00310   2.35277
   A41        0.68991   0.00000  -0.00063  -0.00079  -0.00142   0.68849
   A42        0.74705  -0.00001  -0.00001  -0.00131  -0.00134   0.74570
   A43        2.65866   0.00000   0.00049  -0.00054  -0.00004   2.65862
   A44        2.59174   0.00000   0.00111   0.00026   0.00140   2.59313
   A45        2.64693   0.00001   0.00091   0.00093   0.00187   2.64881
   A46        2.34146   0.00001   0.00114   0.00113   0.00232   2.34377
   A47        2.18409   0.00000   0.00107   0.00023   0.00135   2.18544
   A48        1.94852   0.00000   0.00101   0.00054   0.00160   1.95012
   A49        1.10212  -0.00001   0.00011  -0.00106  -0.00098   1.10115
   A50        1.46172  -0.00001  -0.00001  -0.00083  -0.00087   1.46085
   A51        1.56122   0.00000  -0.00034  -0.00131  -0.00168   1.55954
   A52        1.79687   0.00000  -0.00010  -0.00129  -0.00140   1.79547
   A53        1.78871   0.00000   0.00011  -0.00038  -0.00030   1.78840
   A54        1.64166   0.00000   0.00316   0.00352   0.00668   1.64834
   A55        1.60159   0.00000   0.00294   0.00246   0.00539   1.60699
   A56        1.21644   0.00001   0.00200   0.00161   0.00364   1.22008
   A57        1.18942   0.00001   0.00403   0.00208   0.00609   1.19550
   A58        1.92149   0.00000   0.00205   0.00133   0.00337   1.92487
   A59        1.97196   0.00000   0.00326   0.00123   0.00448   1.97644
   A60        0.84305  -0.00001  -0.00337  -0.00106  -0.00444   0.83862
   A61        0.77950  -0.00002  -0.00364  -0.00173  -0.00539   0.77410
   A62        2.60516  -0.00001  -0.00351  -0.00074  -0.00422   2.60094
   A63        2.76216  -0.00001  -0.00217  -0.00029  -0.00245   2.75971
   A64        2.60071   0.00000   0.00291   0.00082   0.00374   2.60445
   A65        2.38433   0.00000  -0.00135  -0.00013  -0.00146   2.38287
   A66        2.18775  -0.00001  -0.00053   0.00025  -0.00027   2.18749
   A67        0.86132   0.00000  -0.00234  -0.00120  -0.00354   0.85778
   A68        1.23726  -0.00001  -0.00263  -0.00093  -0.00357   1.23369
   A69        1.41653   0.00000  -0.00368  -0.00160  -0.00529   1.41123
   A70        1.68805   0.00000  -0.00360  -0.00161  -0.00520   1.68285
   A71        1.52642   0.00000  -0.00155  -0.00022  -0.00178   1.52464
   A72        1.65483   0.00000   0.00706   0.00435   0.01139   1.66622
   A73        1.51020   0.00001   0.00645   0.00341   0.00983   1.52003
   A74        1.08905   0.00002   0.00554   0.00290   0.00845   1.09750
   A75        0.98665   0.00002   0.00648   0.00317   0.00963   0.99628
   A76        1.75724   0.00001   0.00479   0.00200   0.00677   1.76401
   A77        1.74895   0.00001   0.00514   0.00188   0.00700   1.75595
   A78        1.99359   0.00000   0.00109   0.00041   0.00152   1.99511
   A79        1.93098   0.00001   0.00189   0.00087   0.00279   1.93377
   A80        2.20559   0.00001   0.00217   0.00109   0.00329   2.20889
   A81        2.05901   0.00002   0.00298   0.00148   0.00450   2.06351
   A82        1.54135   0.00001   0.00198   0.00092   0.00294   1.54430
   A83        1.37241   0.00001   0.00198   0.00134   0.00335   1.37577
   A84        1.20243  -0.00001  -0.00087   0.00053  -0.00032   1.20211
   A85        1.38743  -0.00001  -0.00097   0.00058  -0.00040   1.38703
   A86        1.21869  -0.00001  -0.00101   0.00023  -0.00081   1.21788
   A87        1.32467  -0.00001  -0.00048   0.00014  -0.00035   1.32432
   A88        1.81450  -0.00001  -0.00093   0.00060  -0.00033   1.81417
   A89        2.22370   0.00000   0.00247   0.00140   0.00389   2.22759
   A90        2.28545   0.00000   0.00227   0.00135   0.00368   2.28913
   A91        1.90465   0.00000   0.00133   0.00103   0.00243   1.90707
   A92        1.82828   0.00000   0.00318   0.00228   0.00550   1.83378
   A93        2.59930  -0.00001   0.00121   0.00085   0.00216   2.60146
   A94        2.54743   0.00000   0.00224   0.00143   0.00377   2.55119
   A95        1.91299   0.00001   0.00048   0.00077   0.00128   1.91427
   A96        1.98601   0.00002   0.00117   0.00142   0.00264   1.98865
   A97        2.35906   0.00002   0.00134   0.00161   0.00300   2.36206
   A98        2.30735   0.00002   0.00236   0.00208   0.00452   2.31187
   A99        1.65414   0.00002   0.00135   0.00162   0.00303   1.65717
   A100       1.55809   0.00001   0.00127   0.00211   0.00345   1.56154
   A101       0.89510  -0.00002  -0.00034   0.00026  -0.00010   0.89500
   A102       1.06525  -0.00001  -0.00057   0.00031  -0.00028   1.06496
   A103       0.93402   0.00000  -0.00077   0.00005  -0.00074   0.93328
   A104       1.09519   0.00000  -0.00036   0.00008  -0.00029   1.09490
   A105       1.49219  -0.00001  -0.00053   0.00034  -0.00021   1.49197
   A106       2.38832  -0.00001   0.00309   0.00215   0.00526   2.39358
   A107       2.28733  -0.00001   0.00280   0.00179   0.00463   2.29195
   A108       1.86042  -0.00001   0.00215   0.00150   0.00368   1.86409
   A109       1.69199   0.00000   0.00353   0.00232   0.00586   1.69784
   A110       2.44615  -0.00001   0.00157   0.00077   0.00237   2.44852
   A111       2.28789   0.00000   0.00254   0.00117   0.00373   2.29162
   A112       0.71374   0.00000   0.00001  -0.00002  -0.00003   0.71371
   A113       1.00498   0.00000   0.00011  -0.00002   0.00007   1.00505
   A114       0.69548   0.00000  -0.00002   0.00006   0.00001   0.69549
   A115       0.98316   0.00000  -0.00009   0.00013   0.00002   0.98318
   A116       1.80569   0.00000  -0.00031   0.00116   0.00088   1.80656
   A117       1.42492   0.00000  -0.00035   0.00072   0.00039   1.42532
   A118       1.19144   0.00000   0.00019   0.00095   0.00118   1.19262
   A119       0.91715   0.00000   0.00009   0.00086   0.00098   0.91812
   A120       1.25085   0.00000  -0.00078   0.00031  -0.00045   1.25039
   A121       1.97931   0.00001  -0.00364  -0.00309  -0.00672   1.97259
   A122       2.00359   0.00000  -0.00345  -0.00166  -0.00510   1.99849
   A123       2.34045  -0.00001  -0.00222  -0.00025  -0.00251   2.33794
   A124       2.25012   0.00000  -0.00400  -0.00046  -0.00445   2.24567
   A125       1.64085   0.00000  -0.00256  -0.00068  -0.00324   1.63761
   A126       1.50842   0.00000  -0.00345  -0.00052  -0.00397   1.50445
   A127       0.65548   0.00000   0.00021  -0.00003   0.00017   0.65565
   A128       0.66094   0.00000   0.00005  -0.00002   0.00001   0.66095
   A129       2.16720   0.00000  -0.00002   0.00162   0.00161   2.16881
   A130       1.79544   0.00000  -0.00020   0.00108   0.00090   1.79633
   A131       1.50083   0.00000   0.00029   0.00148   0.00179   1.50262
   A132       1.20804   0.00000   0.00014   0.00140   0.00155   1.20959
   A133       1.64412   0.00000  -0.00076   0.00033  -0.00041   1.64371
   A134       1.82787   0.00000  -0.00402  -0.00421  -0.00822   1.81965
   A135       2.00945   0.00000  -0.00409  -0.00316  -0.00724   2.00221
   A136       2.43198  -0.00001  -0.00340  -0.00260  -0.00601   2.42597
   A137       2.50203  -0.00001  -0.00518  -0.00233  -0.00749   2.49455
   A138       1.75251   0.00000  -0.00325  -0.00167  -0.00491   1.74760
   A139       1.71907  -0.00001  -0.00436  -0.00147  -0.00582   1.71324
   A140       0.70501   0.00000  -0.00002  -0.00002  -0.00005   0.70496
   A141       0.83334   0.00000   0.00019  -0.00026  -0.00008   0.83326
   A142       2.49990   0.00000  -0.00057   0.00065   0.00010   2.50000
   A143       2.11991   0.00000  -0.00045   0.00033  -0.00010   2.11980
   A144       1.89948   0.00000   0.00020   0.00110   0.00132   1.90081
   A145       1.61395   0.00000   0.00007   0.00110   0.00118   1.61513
   A146       1.84078   0.00000  -0.00091  -0.00046  -0.00136   1.83942
   A147       1.40166   0.00000  -0.00389  -0.00419  -0.00809   1.39356
   A148       1.62316   0.00000  -0.00397  -0.00356  -0.00754   1.61562
   A149       2.05202  -0.00001  -0.00342  -0.00337  -0.00680   2.04522
   A150       2.22794  -0.00002  -0.00513  -0.00381  -0.00894   2.21900
   A151       1.45483   0.00000  -0.00330  -0.00224  -0.00554   1.44929
   A152       1.52137  -0.00001  -0.00466  -0.00233  -0.00699   1.51439
   A153       0.76434   0.00000   0.00064   0.00016   0.00080   0.76514
   A154       0.76544   0.00001   0.00105  -0.00013   0.00093   0.76637
   A155       2.80978   0.00000  -0.00040   0.00096   0.00059   2.81037
   A156       2.42776   0.00000  -0.00037   0.00052   0.00016   2.42792
   A157       2.15462   0.00000   0.00055   0.00154   0.00211   2.15674
   A158       1.86078   0.00000   0.00039   0.00147   0.00186   1.86265
   A159       2.15265  -0.00001  -0.00122  -0.00071  -0.00193   2.15073
   A160       1.26192   0.00000  -0.00429  -0.00473  -0.00905   1.25287
   A161       1.57098  -0.00001  -0.00438  -0.00429  -0.00868   1.56230
   A162       1.97233  -0.00001  -0.00394  -0.00433  -0.00828   1.96405
   A163       2.23082  -0.00002  -0.00500  -0.00467  -0.00971   2.22111
   A164       1.52670  -0.00001  -0.00392  -0.00292  -0.00685   1.51985
   A165       1.67227  -0.00002  -0.00527  -0.00305  -0.00831   1.66397
   A166       2.15261   0.00000   0.00051   0.00237   0.00289   2.15550
   A167       1.85615   0.00000   0.00002   0.00179   0.00181   1.85797
   A168       1.46995   0.00000   0.00019   0.00197   0.00217   1.47212
   A169       1.19147   0.00000  -0.00003   0.00180   0.00176   1.19323
   A170       1.86731  -0.00001  -0.00059   0.00095   0.00035   1.86766
   A171       2.02490   0.00000  -0.00364  -0.00461  -0.00824   2.01666
   A172       2.31818   0.00000  -0.00394  -0.00385  -0.00776   2.31042
   A173       2.73576  -0.00001  -0.00341  -0.00406  -0.00742   2.72834
   A174       2.14043   0.00000  -0.00332  -0.00192  -0.00522   2.13521
   A175       2.12692  -0.00001  -0.00434  -0.00143  -0.00577   2.12115
   A176       2.25793   0.00000   0.00051   0.00299   0.00352   2.26145
   A177       2.04139   0.00000  -0.00013   0.00246   0.00232   2.04371
   A178       1.63093  -0.00001  -0.00015   0.00251   0.00235   1.63329
   A179       1.38175  -0.00001  -0.00037   0.00226   0.00187   1.38362
   A180       2.13207  -0.00001  -0.00073   0.00142   0.00068   2.13275
   A181       1.94592   0.00000  -0.00268  -0.00490  -0.00757   1.93834
   A182       2.31166   0.00000  -0.00294  -0.00460  -0.00752   2.30414
   A183       2.63172  -0.00001  -0.00193  -0.00474  -0.00666   2.62507
   A184       2.27737   0.00000  -0.00309  -0.00279  -0.00582   2.27155
   A185       2.34547  -0.00001  -0.00455  -0.00223  -0.00671   2.33876
   A186       0.69153   0.00001   0.00009   0.00033   0.00042   0.69196
   A187       0.98258   0.00000   0.00021   0.00043   0.00065   0.98323
   A188       0.70008   0.00000  -0.00007   0.00043   0.00036   0.70043
   A189       2.07747   0.00000   0.00237   0.00198   0.00433   2.08180
   A190       1.70997   0.00000   0.00211   0.00159   0.00368   1.71365
   A191       1.36847   0.00001   0.00222   0.00192   0.00411   1.37258
   A192       1.06710   0.00002   0.00219   0.00187   0.00407   1.07116
   A193       1.62290   0.00001   0.00146   0.00043   0.00188   1.62477
   A194       1.40395   0.00001   0.00264   0.00087   0.00350   1.40745
   A195       0.66673   0.00000   0.00012   0.00005   0.00018   0.66692
   A196       2.24392   0.00000   0.00154   0.00154   0.00306   2.24698
   A197       1.84844   0.00001   0.00150   0.00151   0.00300   1.85143
   A198       1.61002   0.00001   0.00203   0.00226   0.00426   1.61428
   A199       1.29486   0.00002   0.00120   0.00182   0.00304   1.29790
   A200       1.61958   0.00001   0.00113   0.00041   0.00154   1.62111
   A201       1.34573   0.00002   0.00202   0.00077   0.00278   1.34851
   A202       0.71121   0.00000   0.00027   0.00003   0.00031   0.71151
   A203       2.64030   0.00001   0.00118   0.00120   0.00236   2.64266
   A204       2.24954   0.00001   0.00138   0.00145   0.00282   2.25236
   A205       2.02006   0.00001   0.00219   0.00228   0.00445   2.02451
   A206       1.70515   0.00002   0.00150   0.00190   0.00342   1.70856
   A207       1.96265   0.00001   0.00095   0.00046   0.00141   1.96406
   A208       1.67418   0.00001   0.00154   0.00078   0.00233   1.67651
   A209       0.83424   0.00000   0.00009  -0.00006   0.00005   0.83429
   A210       2.70616   0.00001  -0.00102  -0.00044  -0.00149   2.70466
   A211       2.38743   0.00001   0.00026   0.00093   0.00118   2.38861
   A212       2.26557   0.00001   0.00193   0.00227   0.00418   2.26976
   A213       1.95322   0.00002   0.00091   0.00174   0.00267   1.95588
   A214       2.01969   0.00001   0.00013   0.00030   0.00043   2.02012
   A215       1.73680   0.00001   0.00043   0.00057   0.00100   1.73780
   A216       1.93712   0.00001   0.00048   0.00085   0.00131   1.93843
   A217       1.56374   0.00001   0.00061   0.00121   0.00181   1.56554
   A218       1.46936   0.00001   0.00131   0.00215   0.00342   1.47278
   A219       1.18313   0.00002  -0.00048   0.00128   0.00083   1.18396
   A220       1.25168   0.00001   0.00072   0.00043   0.00113   1.25281
   A221       0.96408   0.00002   0.00141   0.00075   0.00215   0.96623
   A222       0.71637  -0.00001   0.00035   0.00028   0.00065   0.71702
   A223       1.01040  -0.00002   0.00017   0.00012   0.00026   1.01066
   A224       0.69877   0.00000  -0.00050  -0.00005  -0.00055   0.69823
   A225       0.98735  -0.00001  -0.00086  -0.00027  -0.00114   0.98622
   A226       0.66171  -0.00002  -0.00045  -0.00036  -0.00082   0.66089
   A227       0.66575   0.00000  -0.00035   0.00003  -0.00034   0.66541
   A228       0.70842  -0.00001   0.00014  -0.00004   0.00007   0.70850
   A229       0.84034  -0.00001   0.00131   0.00066   0.00193   0.84227
   A230       0.77693  -0.00001  -0.00194  -0.00144  -0.00338   0.77355
   A231       0.78353   0.00000  -0.00078  -0.00075  -0.00151   0.78202
   A232       1.59136  -0.00006   0.00030  -0.00460  -0.00428   1.58708
   A233       1.86128   0.00006  -0.00174   0.00315   0.00140   1.86268
   A234       2.19027  -0.00003  -0.00033   0.00005  -0.00031   2.18997
   A235       2.12947   0.00001   0.00037  -0.00014   0.00022   2.12969
   A236       1.96306   0.00002  -0.00005   0.00009   0.00007   1.96312
   A237       2.12393  -0.00001   0.00089   0.00004   0.00094   2.12487
   A238       2.12628   0.00001   0.00102  -0.00019   0.00090   2.12718
   A239       2.03226   0.00000  -0.00194   0.00011  -0.00181   2.03045
   A240       1.83963  -0.00005  -0.01002   0.00043  -0.00959   1.83004
   A241       2.53414   0.00005   0.00936  -0.00013   0.00936   2.54350
   A242       1.91390  -0.00002  -0.00021   0.00059   0.00035   1.91425
   A243       1.91691  -0.00002  -0.00082  -0.00055  -0.00150   1.91541
   A244       1.91518   0.00002  -0.00046  -0.00004  -0.00036   1.91481
   A245       1.91067  -0.00001   0.00153  -0.00054   0.00107   1.91174
   A246       1.90858   0.00000   0.00066  -0.00016   0.00051   1.90910
   A247       1.89849   0.00002  -0.00069   0.00069  -0.00006   1.89842
   A248       1.28221  -0.00001   0.00585  -0.00415   0.00173   1.28394
   A249       1.90502  -0.00002  -0.00014  -0.00045  -0.00053   1.90448
   A250       1.90979  -0.00001   0.00025  -0.00007   0.00026   1.91005
   A251       1.92776   0.00000  -0.00051   0.00008  -0.00048   1.92728
   A252       1.91038   0.00001   0.00077   0.00021   0.00091   1.91129
   A253       1.89796   0.00000  -0.00030   0.00003  -0.00028   1.89768
   A254       1.91280   0.00000  -0.00006   0.00020   0.00013   1.91293
   A255       1.72210  -0.00001   0.00076   0.00032   0.00107   1.72316
   A256       1.76746   0.00001  -0.00205  -0.00060  -0.00264   1.76482
   A257       2.19087  -0.00001   0.00023  -0.00007   0.00016   2.19102
   A258       2.12993   0.00000   0.00004   0.00004   0.00007   2.13000
   A259       1.96219   0.00001  -0.00028   0.00004  -0.00024   1.96195
   A260       2.12414   0.00000   0.00024   0.00002   0.00026   2.12439
   A261       2.12381   0.00000  -0.00038  -0.00011  -0.00053   2.12328
   A262       2.03500   0.00000   0.00011   0.00009   0.00024   2.03524
   A263       1.34146   0.00002   0.00306   0.00102   0.00407   1.34553
   A264       1.89920   0.00001   0.00038   0.00009   0.00048   1.89969
   A265       1.93213  -0.00001  -0.00012  -0.00005  -0.00017   1.93196
   A266       1.91000   0.00001  -0.00029   0.00010  -0.00019   1.90981
   A267       1.89820   0.00000  -0.00016  -0.00011  -0.00027   1.89792
   A268       1.91279   0.00000   0.00015  -0.00004   0.00010   1.91288
   A269       1.91138  -0.00001   0.00004   0.00002   0.00006   1.91144
   A270       2.66623   0.00000  -0.00063   0.00132   0.00069   2.66692
   A271       1.69716   0.00001   0.00068  -0.00129  -0.00061   1.69655
   A272       1.92491   0.00000  -0.00020   0.00008  -0.00012   1.92479
   A273       1.91311   0.00000   0.00026  -0.00005   0.00021   1.91332
   A274       1.91357   0.00000  -0.00010   0.00001  -0.00007   1.91350
   A275       1.89413   0.00000   0.00022   0.00001   0.00022   1.89435
   A276       1.91106  -0.00001  -0.00012  -0.00003  -0.00016   1.91090
   A277       1.90687   0.00000  -0.00007  -0.00002  -0.00008   1.90678
   A278       1.80903  -0.00001   0.00066  -0.00092  -0.00025   1.80878
   A279       1.75146   0.00001  -0.00031  -0.00033  -0.00064   1.75082
   A280       2.18918   0.00000   0.00000   0.00009   0.00011   2.18929
   A281       2.13089   0.00000   0.00007  -0.00005   0.00003   2.13091
   A282       1.96304   0.00000  -0.00008  -0.00004  -0.00013   1.96291
   A283       2.12218   0.00001  -0.00010  -0.00011  -0.00020   2.12198
   A284       2.11499   0.00001  -0.00049   0.00025  -0.00026   2.11473
   A285       2.04314  -0.00002   0.00055  -0.00005   0.00053   2.04367
   A286       2.70314  -0.00001   0.00228   0.00069   0.00296   2.70610
   A287       1.65650   0.00002  -0.00195  -0.00049  -0.00245   1.65405
   A288       1.92691   0.00000   0.00029   0.00008   0.00036   1.92727
   A289       1.91521   0.00001   0.00019  -0.00007   0.00013   1.91534
   A290       1.91188   0.00000  -0.00025  -0.00004  -0.00027   1.91161
   A291       1.89136  -0.00001   0.00045   0.00003   0.00046   1.89182
   A292       1.91250  -0.00001  -0.00028  -0.00007  -0.00036   1.91215
   A293       1.90575   0.00000  -0.00040   0.00008  -0.00033   1.90542
   A294       1.34272   0.00003   0.00014   0.00015   0.00030   1.34301
   A295       1.15845  -0.00002   0.00025   0.00037   0.00062   1.15907
   A296       1.93359  -0.00001   0.00005   0.00000   0.00004   1.93363
   A297       1.90642   0.00001   0.00007   0.00010   0.00018   1.90660
   A298       1.90084   0.00000   0.00012  -0.00005   0.00009   1.90093
   A299       1.90941  -0.00001  -0.00003   0.00002  -0.00001   1.90940
   A300       1.89932   0.00001  -0.00029   0.00014  -0.00015   1.89918
   A301       1.91418   0.00001   0.00008  -0.00022  -0.00015   1.91402
   A302       1.71909  -0.00001  -0.00175  -0.00313  -0.00486   1.71422
   A303       1.76702  -0.00002   0.00050   0.00322   0.00372   1.77074
   A304       2.19309   0.00001  -0.00033  -0.00005  -0.00036   2.19273
   A305       2.13007   0.00001   0.00012   0.00015   0.00027   2.13034
   A306       1.95974  -0.00001   0.00019  -0.00009   0.00008   1.95982
   A307       2.12629  -0.00001  -0.00111   0.00003  -0.00103   2.12525
   A308       2.12077   0.00001   0.00002   0.00031   0.00035   2.12112
   A309       2.03557   0.00000   0.00104  -0.00042   0.00055   2.03613
   A310       1.38291   0.00003  -0.01418  -0.00603  -0.02013   1.36278
   A311       2.97041   0.00004   0.01493   0.00667   0.02152   2.99192
   A312       1.90771   0.00001  -0.00114   0.00066  -0.00050   1.90721
   A313       1.92781   0.00001   0.00009   0.00007  -0.00055   1.92726
   A314       1.90512   0.00000  -0.00013  -0.00046  -0.00063   1.90449
   A315       1.91472  -0.00007  -0.00040  -0.00079  -0.00091   1.91381
   A316       1.91260   0.00002  -0.00085   0.00010  -0.00067   1.91194
   A317       1.89577   0.00003   0.00243   0.00041   0.00327   1.89904
   A318       1.70662   0.00001   0.00612   0.00422   0.01033   1.71696
   A319       1.91352   0.00001  -0.00012   0.00026   0.00018   1.91371
   A320       1.91369   0.00004   0.00016   0.00022   0.00034   1.91403
   A321       1.92546  -0.00002  -0.00014  -0.00013  -0.00028   1.92518
   A322       1.90449  -0.00001   0.00040   0.00020   0.00060   1.90509
   A323       1.91192  -0.00001  -0.00037  -0.00032  -0.00070   1.91122
   A324       1.89453  -0.00001   0.00008  -0.00023  -0.00014   1.89439
   A325       2.92479   0.00000   0.00176   0.00050   0.00225   2.92704
   A326       3.34258   0.00000   0.00400   0.00039   0.00444   3.34702
   A327       3.06036   0.00000   0.00407   0.00040   0.00452   3.06488
   A328       3.19501  -0.00001   0.00579  -0.00394   0.00186   3.19687
   A329       3.25284   0.00001   0.00310   0.00103   0.00413   3.25697
   A330       3.25213   0.00002   0.00011   0.00017   0.00028   3.25241
   A331       3.61854   0.00000   0.00575   0.00390   0.00964   3.62818
   A332       3.21373  -0.00001  -0.00359  -0.00079  -0.00434   3.20939
   A333       3.02453  -0.00002  -0.00332  -0.00441  -0.00778   3.01675
   A334       2.96215  -0.00002  -0.00319  -0.00495  -0.00819   2.95396
   A335       3.22670   0.00001   0.00016   0.00075   0.00096   3.22766
   A336       3.08179   0.00000  -0.00133   0.00007  -0.00127   3.08052
   A337       3.10601   0.00000   0.00001   0.00068   0.00068   3.10670
   A338       3.03721   0.00001   0.00097  -0.00070   0.00027   3.03748
    D1        2.75783   0.00000  -0.00125   0.00068  -0.00056   2.75728
    D2       -1.36077   0.00000  -0.00114  -0.00048  -0.00161  -1.36237
    D3        2.78405  -0.00001  -0.00601   0.00114  -0.00484   2.77921
    D4       -1.33455  -0.00001  -0.00590  -0.00002  -0.00589  -1.34044
    D5        1.66104   0.00000   0.00010   0.00177   0.00187   1.66290
    D6       -2.45756   0.00000   0.00021   0.00061   0.00082  -2.45675
    D7        1.84232   0.00001  -0.00116   0.00307   0.00195   1.84427
    D8       -2.27628   0.00001  -0.00105   0.00191   0.00090  -2.27538
    D9        0.31616   0.00001  -0.00183   0.00282   0.00100   0.31716
   D10        2.48075   0.00000  -0.00172   0.00166  -0.00005   2.48069
   D11        0.03734   0.00000  -0.00238   0.00218  -0.00020   0.03714
   D12        2.20192   0.00000  -0.00227   0.00102  -0.00125   2.20067
   D13       -0.42969   0.00000  -0.00242   0.00193  -0.00049  -0.43018
   D14        1.73490   0.00000  -0.00231   0.00077  -0.00154   1.73336
   D15       -0.54704  -0.00001  -0.00321   0.00189  -0.00133  -0.54837
   D16        1.61755  -0.00001  -0.00310   0.00073  -0.00238   1.61517
   D17        0.22004   0.00000  -0.00253   0.00216  -0.00037   0.21967
   D18        2.38463   0.00000  -0.00243   0.00100  -0.00143   2.38320
   D19        0.15766   0.00000  -0.00240   0.00162  -0.00078   0.15688
   D20        2.32224   0.00000  -0.00229   0.00046  -0.00183   2.32041
   D21        2.39953   0.00000  -0.00187   0.00487   0.00301   2.40254
   D22       -1.71907   0.00000  -0.00176   0.00371   0.00196  -1.71711
   D23        2.15434   0.00000  -0.00233   0.00515   0.00281   2.15715
   D24       -1.96426   0.00000  -0.00222   0.00399   0.00176  -1.96250
   D25        1.71203   0.00000  -0.00219   0.00494   0.00273   1.71476
   D26       -2.40657  -0.00001  -0.00209   0.00378   0.00168  -2.40489
   D27        1.40423   0.00000  -0.00225   0.00490   0.00262   1.40684
   D28       -2.71437   0.00000  -0.00214   0.00374   0.00156  -2.71281
   D29        2.36391  -0.00001  -0.00296   0.00593   0.00296   2.36687
   D30       -1.75469  -0.00001  -0.00286   0.00477   0.00191  -1.75278
   D31       -1.80392  -0.00001   0.00099   0.00680   0.00774  -1.79618
   D32        0.36067  -0.00001   0.00109   0.00564   0.00668   0.36735
   D33       -2.13704   0.00000   0.00082   0.00607   0.00688  -2.13016
   D34        0.02754   0.00000   0.00093   0.00491   0.00583   0.03338
   D35       -2.52024   0.00001   0.00059   0.00644   0.00703  -2.51321
   D36       -0.35565   0.00001   0.00070   0.00528   0.00598  -0.34968
   D37       -2.80449   0.00001   0.00079   0.00658   0.00741  -2.79708
   D38       -0.63990   0.00001   0.00090   0.00542   0.00636  -0.63355
   D39       -2.13312  -0.00001   0.00053   0.00438   0.00492  -2.12820
   D40        0.03146  -0.00001   0.00064   0.00322   0.00387   0.03534
   D41       -2.37835   0.00000   0.00238   0.00512   0.00755  -2.37080
   D42       -0.21376   0.00000   0.00249   0.00396   0.00650  -0.20726
   D43        1.25849   0.00000   0.00556  -0.00079   0.00480   1.26329
   D44       -1.93661   0.00000   0.01069   0.00405   0.01477  -1.92185
   D45        2.45190   0.00001   0.00611   0.00111   0.00722   2.45912
   D46       -0.74321   0.00000   0.01124   0.00595   0.01719  -0.72602
   D47        2.93771   0.00001   0.00548   0.00228   0.00780   2.94551
   D48       -0.25739   0.00001   0.01060   0.00712   0.01776  -0.23963
   D49        2.84701   0.00000   0.00612   0.00235   0.00851   2.85553
   D50       -0.34809   0.00000   0.01125   0.00719   0.01848  -0.32961
   D51        2.04294   0.00000   0.00463   0.00216   0.00681   2.04976
   D52       -1.15216   0.00000   0.00976   0.00699   0.01678  -1.13538
   D53        1.16915   0.00000   0.00316   0.00157   0.00471   1.17386
   D54       -2.02595  -0.00001   0.00829   0.00640   0.01468  -2.01127
   D55        1.03112  -0.00001   0.00259   0.00070   0.00326   1.03438
   D56       -2.16398  -0.00001   0.00772   0.00553   0.01323  -2.15076
   D57        2.02319   0.00000   0.00447   0.00132   0.00582   2.02901
   D58       -1.17191   0.00000   0.00960   0.00615   0.01579  -1.15612
   D59        1.83206   0.00000   0.00465   0.00059   0.00526   1.83732
   D60       -1.36304   0.00000   0.00978   0.00542   0.01523  -1.34781
   D61       -2.28108   0.00000   0.00490   0.00364   0.00856  -2.27252
   D62        0.80701  -0.00001   0.01003   0.00848   0.01852   0.82553
   D63       -2.41662   0.00000   0.00458   0.00296   0.00754  -2.40907
   D64        0.67146  -0.00001   0.00971   0.00779   0.01751   0.68897
   D65       -2.81942  -0.00001   0.00437   0.00278   0.00715  -2.81227
   D66        0.26866  -0.00001   0.00950   0.00762   0.01712   0.28577
   D67       -2.99678  -0.00001   0.00440   0.00267   0.00707  -2.98971
   D68        0.09130  -0.00001   0.00952   0.00751   0.01703   0.10834
   D69       -2.14023  -0.00001   0.00450   0.00245   0.00695  -2.13328
   D70        0.94785  -0.00001   0.00962   0.00729   0.01692   0.96477
   D71       -0.17585   0.00000   0.00586   0.00421   0.01007  -0.16578
   D72        2.91223  -0.00001   0.01099   0.00905   0.02004   2.93227
   D73       -0.56985   0.00000   0.00578   0.00422   0.00999  -0.55986
   D74        2.51823   0.00000   0.01091   0.00906   0.01996   2.53819
   D75       -0.76315   0.00001   0.00650   0.00547   0.01194  -0.75121
   D76        2.32493   0.00000   0.01163   0.01031   0.02190   2.34684
   D77       -1.09992   0.00002   0.00586   0.00522   0.01108  -1.08884
   D78        1.98816   0.00001   0.01099   0.01006   0.02105   2.00921
   D79       -0.83365   0.00000   0.00557   0.00296   0.00851  -0.82514
   D80        2.25443   0.00000   0.01069   0.00779   0.01848   2.27291
   D81       -1.14037   0.00001   0.00603   0.00312   0.00913  -1.13125
   D82        1.94771   0.00000   0.01116   0.00796   0.01909   1.96680
   D83       -1.53487   0.00000   0.00150  -0.00120   0.00029  -1.53458
   D84       -2.61147   0.00001   0.00076  -0.00006   0.00068  -2.61079
   D85       -2.94682   0.00000  -0.00349  -0.00006  -0.00352  -2.95034
   D86        0.72740   0.00001   0.00068   0.00078   0.00145   0.72886
   D87        0.30621   0.00001   0.00023   0.00051   0.00075   0.30696
   D88       -0.07067   0.00001   0.00021   0.00066   0.00089  -0.06978
   D89       -0.40258   0.00000  -0.00060   0.00028  -0.00031  -0.40289
   D90        0.18312   0.00000  -0.00025   0.00017  -0.00005   0.18307
   D91       -0.05314   0.00000  -0.00007  -0.00023  -0.00027  -0.05341
   D92        2.39826   0.00000  -0.00039   0.00219   0.00181   2.40007
   D93        2.05011   0.00000  -0.00053   0.00177   0.00124   2.05135
   D94        1.65728  -0.00001  -0.00077   0.00193   0.00117   1.65845
   D95        1.36998  -0.00001  -0.00082   0.00181   0.00098   1.37097
   D96        2.05221   0.00000  -0.00038   0.00141   0.00103   2.05324
   D97       -1.94623  -0.00001   0.00167   0.00489   0.00662  -1.93960
   D98       -2.45259   0.00000   0.00056   0.00425   0.00486  -2.44773
   D99       -2.68438   0.00000   0.00103   0.00420   0.00521  -2.67917
   D100      -3.00427   0.00002  -0.00052   0.00326   0.00276  -3.00151
   D101      -2.87558   0.00000  -0.00070   0.00313   0.00245  -2.87313
   D102       2.87323   0.00001  -0.00153   0.00256   0.00095   2.87418
   D103      -2.88437  -0.00001  -0.00125  -0.00083  -0.00210  -2.88647
   D104       1.21236  -0.00001  -0.00088  -0.00078  -0.00169   1.21067
   D105       2.83042  -0.00001  -0.00173  -0.00184  -0.00356   2.82686
   D106       0.64396  -0.00001  -0.00136  -0.00179  -0.00315   0.64081
   D107       2.33638  -0.00001  -0.00226  -0.00174  -0.00405   2.33233
   D108       0.14992   0.00000  -0.00190  -0.00170  -0.00364   0.14628
   D109       1.77247   0.00001  -0.00028  -0.00027  -0.00057   1.77190
   D110      -0.41399   0.00001   0.00008  -0.00023  -0.00016  -0.41415
   D111       2.60836  -0.00001  -0.00233  -0.00113  -0.00348   2.60488
   D112       0.42190  -0.00001  -0.00197  -0.00108  -0.00307   0.41883
   D113       2.27100  -0.00001  -0.00181  -0.00161  -0.00347   2.26753
   D114       0.08454  -0.00001  -0.00144  -0.00157  -0.00306   0.08148
   D115      -1.61046   0.00001  -0.00017   0.00011  -0.00005  -1.61051
   D116       2.48627   0.00001   0.00019   0.00015   0.00036   2.48663
   D117      -1.77454   0.00001   0.00074   0.00045   0.00121  -1.77333
   D118       2.32218   0.00001   0.00111   0.00049   0.00162   2.32380
   D119      -2.73445   0.00000  -0.00014   0.00018   0.00002  -2.73443
   D120       1.36227   0.00000   0.00022   0.00022   0.00043   1.36271
   D121      -2.69767   0.00000  -0.00055   0.00064   0.00008  -2.69759
   D122       1.39906   0.00000  -0.00018   0.00068   0.00049   1.39955
   D123       1.34051   0.00000  -0.00140  -0.00222  -0.00364   1.33687
   D124      -0.84595   0.00001  -0.00104  -0.00218  -0.00323  -0.84918
   D125       1.30909   0.00001  -0.00077  -0.00203  -0.00281   1.30628
   D126      -0.87737   0.00001  -0.00041  -0.00199  -0.00240  -0.87977
   D127       1.66429   0.00001  -0.00022  -0.00191  -0.00213   1.66215
   D128      -0.52217   0.00001   0.00014  -0.00186  -0.00172  -0.52390
   D129       1.78694   0.00001   0.00003  -0.00194  -0.00191   1.78503
   D130      -0.39952   0.00001   0.00039  -0.00189  -0.00150  -0.40102
   D131       0.90753   0.00001  -0.00068  -0.00182  -0.00250   0.90503
   D132      -1.27893   0.00001  -0.00031  -0.00177  -0.00209  -1.28102
   D133      -0.93432   0.00000  -0.00174  -0.00356  -0.00530  -0.93963
   D134      -3.12078   0.00000  -0.00138  -0.00351  -0.00489  -3.12567
   D135      -0.50129   0.00000  -0.00241  -0.00408  -0.00648  -0.50776
   D136      -2.68775   0.00000  -0.00205  -0.00404  -0.00607  -2.69381
   D137      -0.17443  -0.00001  -0.00385  -0.00599  -0.00978  -0.18420
   D138      -2.36089  -0.00001  -0.00349  -0.00594  -0.00937  -2.37025
   D139       0.23052  -0.00002  -0.00458  -0.00561  -0.01014   0.22038
   D140      -1.95594  -0.00002  -0.00421  -0.00556  -0.00973  -1.96567
   D141      -0.30082   0.00000  -0.00227  -0.00260  -0.00486  -0.30567
   D142      -2.48728   0.00000  -0.00190  -0.00255  -0.00445  -2.49172
   D143      -0.04315  -0.00001  -0.00331  -0.00286  -0.00615  -0.04929
   D144      -2.22961  -0.00001  -0.00295  -0.00281  -0.00574  -2.23534
   D145      -2.46345   0.00000  -0.00235   0.00034  -0.00201  -2.46546
   D146      -2.71323   0.00000  -0.00191  -0.00030  -0.00222  -2.71545
   D147      -2.40251   0.00000  -0.00067  -0.00128  -0.00193  -2.40444
   D148       3.02061  -0.00001  -0.00266  -0.00094  -0.00361   3.01699
   D149       2.64338  -0.00001  -0.00318  -0.00145  -0.00469   2.63869
   D150       1.52189   0.00001  -0.00193  -0.00032  -0.00223   1.51966
   D151       2.62295   0.00000  -0.00195  -0.00018  -0.00216   2.62080
   D152       2.99739   0.00000  -0.00229   0.00021  -0.00210   2.99530
   D153       1.20895   0.00000  -0.00382  -0.00441  -0.00823   1.20072
   D154       1.26358   0.00000  -0.00257  -0.00290  -0.00546   1.25812
   D155       1.65255   0.00000  -0.00198  -0.00220  -0.00416   1.64840
   D156       1.72432   0.00001  -0.00178  -0.00178  -0.00353   1.72080
   D157       0.90908   0.00001  -0.00207  -0.00218  -0.00425   0.90483
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   D199      -2.23630  -0.00001   0.00003  -0.00301  -0.00295  -2.23925
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   D209      -1.01805   0.00001   0.00478   0.00263   0.00741  -1.01063
   D210       2.11318   0.00000   0.00073   0.00002   0.00077   2.11395
   D211      -0.10126   0.00000   0.00051   0.00059   0.00113  -0.10013
   D212       2.22823  -0.00001   0.00108   0.00003   0.00112   2.22935
   D213       0.01380  -0.00001   0.00087   0.00061   0.00148   0.01528
   D214      -2.23109   0.00000   0.00193   0.00014   0.00209  -2.22900
   D215       1.83766   0.00000   0.00172   0.00072   0.00245   1.84011
   D216      -2.40338   0.00000   0.00259   0.00100   0.00360  -2.39977
   D217       1.66538   0.00000   0.00237   0.00158   0.00396   1.66934
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   D220      -2.16227   0.00002   0.00767   0.00726   0.01482  -2.14745
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   D222      -2.89517   0.00000   0.00242   0.00025   0.00272  -2.89246
   D223       1.17358   0.00000   0.00220   0.00083   0.00307   1.17665
   D224       3.05295   0.00000   0.00241  -0.00026   0.00220   3.05515
   D225       0.83851   0.00000   0.00219   0.00031   0.00256   0.84108
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   D232      -0.01684   0.00001  -0.00152  -0.00159  -0.00312  -0.01996
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   D247      -0.20397   0.00000   0.00011  -0.00034  -0.00020  -0.20417
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   D249      -0.58908   0.00000   0.00017   0.00075   0.00090  -0.58818
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   D252      -2.89620  -0.00001  -0.00080  -0.00030  -0.00107  -2.89727
   D253       0.02337  -0.00001  -0.00091   0.00075  -0.00013   0.02324
   D254      -3.07042  -0.00002  -0.00039  -0.00058  -0.00099  -3.07140
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   D260      -0.75235   0.00000   0.00136   0.00068   0.00206  -0.75030
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   D263       1.95834   0.00001   0.00208   0.00244   0.00454   1.96289
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   D266      -1.56002   0.00000   0.00125   0.00019   0.00149  -1.55853
   D267       1.35956   0.00000   0.00115   0.00124   0.00243   1.36198
   D268       1.97462   0.00000  -0.00060  -0.00081  -0.00143   1.97320
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   D376       0.69171   0.00000  -0.00254  -0.00247  -0.00504   0.68667
   D377      -2.03457   0.00001   0.00974   0.00803   0.01776  -2.01682
   D378       1.02792   0.00000  -0.00268  -0.00198  -0.00466   1.02326
   D379      -1.69837   0.00001   0.00960   0.00853   0.01814  -1.68023
   D380      -2.79568   0.00000  -0.00111   0.00213   0.00095  -2.79473
   D381       0.76122   0.00001   0.01117   0.01264   0.02375   0.78497
   D382      -2.23210   0.00000  -0.00245   0.00215  -0.00036  -2.23246
   D383       1.32480   0.00000   0.00982   0.01265   0.02243   1.34723
   D384      -1.97466  -0.00001  -0.00362  -0.00067  -0.00431  -1.97896
   D385       1.58224   0.00000   0.00865   0.00984   0.01849   1.60073
   D386      -1.63593  -0.00001  -0.00457  -0.00168  -0.00625  -1.64218
   D387       1.92098  -0.00001   0.00771   0.00883   0.01654   1.93752
   D388      -1.69483  -0.00001  -0.00588   0.00214  -0.00360  -1.69843
   D389       1.86207  -0.00001   0.00639   0.01265   0.01920   1.88126
   D390      -1.07314  -0.00002  -0.00817  -0.00398  -0.01210  -1.08524
   D391       2.48376  -0.00001   0.00410   0.00653   0.01070   2.49446
   D392       1.78427  -0.00001  -0.00299  -0.00133  -0.00435   1.77992
   D393      -0.94201   0.00000   0.00928   0.00917   0.01844  -0.92357
   D394       2.08200  -0.00001  -0.00292  -0.00111  -0.00404   2.07796
   D395      -0.64429   0.00000   0.00936   0.00940   0.01876  -0.62553
   D396       2.02218   0.00000  -0.00263  -0.00125  -0.00388   2.01830
   D397      -0.70411   0.00000   0.00964   0.00925   0.01891  -0.68519
   D398       2.21583   0.00000  -0.00151  -0.00074  -0.00222   2.21361
   D399      -0.51045   0.00000   0.01077   0.00976   0.02058  -0.48987
   D400       2.48578  -0.00001  -0.00315  -0.00115  -0.00431   2.48147
   D401      -0.24051   0.00000   0.00913   0.00935   0.01849  -0.22202
   D402      -1.49886   0.00001  -0.00476  -0.00337  -0.00809  -1.50695
   D403       2.05804   0.00001   0.00752   0.00714   0.01471   2.07275
   D404      -2.60120   0.00000  -0.00355  -0.00311  -0.00665  -2.60784
   D405       0.95570   0.00000   0.00872   0.00740   0.01615   0.97186
   D406      -2.97199   0.00000  -0.00160  -0.00198  -0.00359  -2.97557
   D407       0.58491   0.00001   0.01067   0.00852   0.01921   0.60412
   D408       1.87718   0.00001  -0.00225   0.00244   0.00014   1.87732
   D409       2.36566   0.00001  -0.00143   0.00190   0.00038   2.36604
   D410       2.59786   0.00000  -0.00110   0.00257   0.00148   2.59934
   D411       2.82983   0.00000   0.00185   0.00275   0.00460   2.83443
   D412       2.77572   0.00000  -0.00010   0.00036   0.00022   2.77593
   D413      -3.01073  -0.00001   0.00033   0.00143   0.00182  -3.00892
   D414      -0.78504   0.00000  -0.00105   0.00257   0.00152  -0.78352
   D415      -0.40412   0.00000  -0.00097   0.00288   0.00191  -0.40221
   D416      -0.09477   0.00000  -0.00122   0.00217   0.00097  -0.09380
   D417       0.21409   0.00000  -0.00117   0.00229   0.00115   0.21524
   D418      -0.26743   0.00000  -0.00087   0.00376   0.00287  -0.26457
   D419       0.05049   0.00000  -0.00203   0.00392   0.00196   0.05245
   D420      -2.59540   0.00000  -0.00069   0.00142   0.00071  -2.59469
   D421      -2.21288   0.00000  -0.00069   0.00185   0.00116  -2.21172
   D422      -1.97393   0.00000  -0.00013   0.00186   0.00172  -1.97221
   D423      -1.65766   0.00000   0.00032   0.00206   0.00238  -1.65528
   D424      -1.99266   0.00000  -0.00134   0.00190   0.00055  -1.99210
   D425       1.35089   0.00001  -0.00337  -0.00170  -0.00507   1.34582
   D426       2.49614   0.00000  -0.00250  -0.00114  -0.00360   2.49254
   D427       2.95367  -0.00001  -0.00016   0.00034   0.00015   2.95382
   D428      -3.07220   0.00005  -0.00148   0.00095  -0.00052  -3.07272
   D429       0.02720   0.00003   0.00058   0.00005   0.00063   0.02783
   D430       0.03992   0.00007  -0.00195   0.00078  -0.00116   0.03876
   D431       3.13932   0.00005   0.00011  -0.00012   0.00000   3.13931
   D432      -0.09584   0.00004   0.01169   0.00064   0.01232  -0.08352
   D433       2.00450   0.00000   0.01294   0.00000   0.01292   2.01743
   D434      -2.19254   0.00003   0.01130   0.00049   0.01170  -2.18084
   D435       3.08578   0.00006   0.00966   0.00150   0.01117   3.09696
   D436      -1.09705   0.00002   0.01091   0.00086   0.01177  -1.08528
   D437       0.98909   0.00005   0.00927   0.00135   0.01055   0.99964
   D438      -2.37306   0.00002   0.00468   0.00071   0.00537  -2.36768
   D439      -0.28290   0.00002   0.00568   0.00065   0.00632  -0.27658
   D440       1.82429   0.00002   0.00545   0.00091   0.00634   1.83063
   D441       0.72844   0.00000   0.00669  -0.00015   0.00653   0.73497
   D442       2.81860   0.00000   0.00769  -0.00020   0.00747   2.82607
   D443      -1.35740   0.00000   0.00746   0.00005   0.00750  -1.34990
   D444      -0.00094  -0.00001   0.00157   0.00055   0.00213   0.00119
   D445       3.11615  -0.00001   0.00024   0.00019   0.00044   3.11659
   D446      -3.12087   0.00000   0.00220   0.00018   0.00237  -3.11850
   D447      -0.00378   0.00000   0.00086  -0.00018   0.00069  -0.00309
   D448       2.43637   0.00000  -0.00425  -0.00120  -0.00546   2.43091
   D449      -1.76167   0.00000  -0.00429  -0.00131  -0.00559  -1.76727
   D450       0.34666  -0.00001  -0.00449  -0.00126  -0.00575   0.34091
   D451      -0.68190   0.00000  -0.00297  -0.00086  -0.00385  -0.68575
   D452       1.40324  -0.00001  -0.00301  -0.00097  -0.00398   1.39926
   D453      -2.77161  -0.00002  -0.00322  -0.00092  -0.00414  -2.77575
   D454       2.05731   0.00000   0.00192  -0.00055   0.00136   2.05867
   D455      -2.14144   0.00000   0.00223  -0.00052   0.00168  -2.13975
   D456      -0.04834   0.00001   0.00225  -0.00057   0.00167  -0.04667
   D457      -1.10759   0.00000   0.00065  -0.00089  -0.00024  -1.10784
   D458       0.97684   0.00001   0.00096  -0.00086   0.00009   0.97692
   D459       3.06994   0.00001   0.00098  -0.00091   0.00007   3.07001
   D460      -3.08155  -0.00002   0.00044  -0.00090  -0.00047  -3.08201
   D461      -0.02382  -0.00002   0.00005   0.00042   0.00047  -0.02335
   D462       0.07302  -0.00001   0.00055  -0.00115  -0.00061   0.07241
   D463       3.13075  -0.00001   0.00016   0.00017   0.00032   3.13108
   D464       1.92887   0.00000  -0.00292   0.00143  -0.00149   1.92738
   D465      -2.27074   0.00000  -0.00207   0.00147  -0.00061  -2.27135
   D466      -0.17876   0.00001  -0.00259   0.00150  -0.00110  -0.17986
   D467      -1.13216   0.00000  -0.00250   0.00015  -0.00235  -1.13451
   D468       0.95142   0.00000  -0.00165   0.00019  -0.00147   0.94994
   D469       3.04340   0.00001  -0.00218   0.00021  -0.00196   3.04144
   D470      -1.63041  -0.00001   0.00063  -0.00188  -0.00125  -1.63166
   D471       0.47407  -0.00002   0.00067  -0.00180  -0.00113   0.47295
   D472       2.56433  -0.00001   0.00088  -0.00203  -0.00116   2.56317
   D473       1.43097  -0.00001   0.00023  -0.00062  -0.00039   1.43058
   D474      -2.74773  -0.00002   0.00027  -0.00054  -0.00027  -2.74799
   D475      -0.65747  -0.00001   0.00048  -0.00077  -0.00030  -0.65777
   D476       0.00659   0.00001  -0.00285   0.00053  -0.00229   0.00430
   D477      -3.09802   0.00003  -0.00142   0.00329   0.00185  -3.09617
   D478       3.12301   0.00000  -0.00379   0.00102  -0.00275   3.12027
   D479       0.01840   0.00002  -0.00237   0.00378   0.00140   0.01980
   D480      -0.29608   0.00003  -0.01182  -0.00430  -0.01604  -0.31212
   D481       1.81218  -0.00004  -0.01299  -0.00481  -0.01783   1.79434
   D482      -2.38776   0.00000  -0.01002  -0.00454  -0.01455  -2.40231
   D483       2.81024   0.00002  -0.01320  -0.00691  -0.02000   2.79025
   D484      -1.36468  -0.00005  -0.01437  -0.00742  -0.02179  -1.38647
   D485       0.71856  -0.00001  -0.01140  -0.00716  -0.01850   0.70006
   D486       0.02479  -0.00004  -0.00531  -0.00521  -0.01049   0.01430
   D487       2.11530  -0.00002  -0.00478  -0.00466  -0.00942   2.10588
   D488      -2.08225  -0.00001  -0.00467  -0.00489  -0.00956  -2.09181
   D489      -3.08165  -0.00002  -0.00391  -0.00259  -0.00651  -3.08816
   D490      -0.99114   0.00000  -0.00339  -0.00205  -0.00545  -0.99659
   D491       1.09449   0.00000  -0.00328  -0.00228  -0.00559   1.08891
         Item               Value     Threshold  Converged?
 Maximum Force            0.000071     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.050964     0.001800     NO 
 RMS     Displacement     0.005226     0.001200     NO 
 Predicted change in Energy=-7.362809D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:55:17 2016, MaxMem=  2952790016 cpu:         6.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.837555   -0.615056    1.688968
      2          6           0       -2.120490    1.087917   -1.338763
      3          8           0       -2.664141    0.101686   -1.865981
      4          7           0       -0.825375    1.148910   -0.925790
      5          1           0       -2.677001    2.023004   -1.127956
      6          6           0       -0.291345    2.324580   -0.236829
      7          1           0       -1.054947    3.114155   -0.206255
      8          1           0       -0.000155    2.053500    0.791031
      9          1           0        0.598209    2.696432   -0.771126
     10          6           0        0.096207    0.023792   -1.100711
     11          1           0        0.671005   -0.119355   -0.172284
     12          1           0       -0.476364   -0.886546   -1.321484
     13          1           0        0.799768    0.227254   -1.924869
     14          6           0       -1.981175   -4.034465    2.613362
     15          8           0       -2.114370   -3.892590    3.840929
     16          7           0       -2.918490   -3.728487    1.675500
     17          1           0       -1.043123   -4.416819    2.164117
     18          6           0       -4.225778   -3.178941    2.043671
     19          1           0       -4.495461   -2.389732    1.324004
     20          1           0       -5.000193   -3.963575    2.015818
     21          1           0       -4.171353   -2.753052    3.053998
     22          6           0       -2.659360   -3.901598    0.245865
     23          1           0       -3.360059   -4.636541   -0.183259
     24          1           0       -2.798004   -2.939592   -0.274778
     25          1           0       -1.627346   -4.248721    0.096993
     26          6           0        1.532233    0.378451    2.629557
     27          8           0        1.354915    1.390540    3.328587
     28          7           0        1.165646   -0.887894    2.967241
     29          1           0        2.010085    0.428900    1.631323
     30          6           0        1.481762   -2.031301    2.110689
     31          1           0        2.242725   -2.671214    2.588219
     32          1           0        0.574583   -2.634355    1.945140
     33          1           0        1.857913   -1.672267    1.142929
     34          6           0        0.527648   -1.174784    4.254780
     35          1           0        1.279322   -1.467081    5.007819
     36          1           0       -0.006563   -0.280697    4.600884
     37          1           0       -0.183554   -2.003170    4.123482
     38          6           0       -4.586273    1.255001    2.882074
     39          8           0       -4.822317    1.902943    1.848476
     40          7           0       -3.494034    1.405665    3.680519
     41          1           0       -5.261092    0.450923    3.239768
     42          6           0       -2.452279    2.392937    3.384584
     43          1           0       -2.534951    2.703406    2.334928
     44          1           0       -2.558213    3.272669    4.041004
     45          1           0       -1.464564    1.937889    3.557472
     46          6           0       -3.277755    0.553594    4.849783
     47          1           0       -4.095837   -0.175392    4.932110
     48          1           0       -2.321816    0.014243    4.744185
     49          1           0       -3.235920    1.164965    5.766175
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485302   0.000000
     3  O    3.719493   1.243449   0.000000
     4  N    3.312558   1.360732   2.315533   0.000000
     5  H    3.949569   1.108392   2.058229   2.057530   0.000000
     6  C    3.839390   2.467664   3.636695   1.463576   2.564452
     7  H    4.255745   2.554134   3.797257   2.105380   2.161296
     8  H    3.362071   3.156611   4.238645   2.108731   3.293774
     9  H    4.790716   3.209495   4.309795   2.108397   3.362712
    10  C    3.453965   2.470381   2.865524   1.464856   3.418812
    11  H    3.162729   3.257396   3.747088   2.101290   4.088051
    12  H    3.315023   2.569427   2.461595   2.102728   3.653182
    13  H    4.552448   3.100350   3.466684   2.118655   3.993459
    14  C    3.545066   6.471283   6.135039   6.381916   7.153641
    15  O    3.930622   7.185729   6.987511   7.056900   7.746007
    16  N    3.295763   5.737625   5.222740   5.910739   6.402917
    17  H    3.912837   6.613094   6.267877   6.369637   7.414758
    18  C    3.521780   5.837737   5.337284   6.253857   6.286348
    19  H    3.216697   4.982455   4.442623   5.572530   5.365738
    20  H    4.617542   6.712934   6.087023   7.226317   7.149802
    21  H    3.446874   6.185097   5.884505   6.500737   6.521697
    22  C    3.682292   5.262765   4.526169   5.499446   6.081827
    23  H    4.689947   5.970021   5.076087   6.359828   6.760811
    24  H    3.190960   4.220417   3.434999   4.585949   5.036856
    25  H    3.972668   5.548359   4.884081   5.551906   6.475864
    26  C    3.636926   5.439972   6.155973   4.335021   5.877169
    27  O    4.111280   5.827021   6.693092   4.786624   6.042941
    28  N    3.275308   5.765778   6.245524   4.823736   6.325339
    29  H    3.987167   5.130045   5.846930   3.885495   5.667765
    30  C    3.633382   5.882556   6.127973   4.965564   6.649927
    31  H    4.656729   6.970646   7.183746   6.029498   7.749152
    32  H    3.156201   5.648252   5.700868   4.951284   6.458151
    33  H    3.882311   5.441057   5.713967   4.408931   6.275141
    34  C    3.534242   6.589399   7.020014   5.836825   7.033454
    35  H    4.632023   7.639754   8.078432   6.817688   8.092029
    36  H    3.455948   6.451449   7.002091   5.767005   6.727398
    37  H    3.254141   6.568308   6.815966   5.986876   7.071419
    38  C    3.532147   4.891162   5.250595   5.353077   4.507271
    39  O    3.908268   4.257068   4.658265   4.923480   3.670959
    40  N    3.285348   5.213519   5.757842   5.329704   4.916308
    41  H    3.906648   5.588568   5.738884   6.124920   5.312813
    42  C    3.507281   4.911534   5.732639   4.772184   4.533252
    43  H    3.451929   4.034549   4.943002   3.996422   3.531953
    44  H    4.600633   5.822940   6.705134   5.672928   5.319203
    45  H    3.185586   5.012565   5.850168   4.596813   4.840504
    46  C    3.664788   6.318454   6.758863   6.302841   6.184936
    47  H    3.976319   6.694908   6.952738   6.838471   6.600791
    48  H    3.156719   6.180256   6.619602   5.972890   6.216375
    49  H    4.663423   7.192376   7.727050   7.112902   6.969768
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098842   0.000000
     8  H    1.102166   1.797820   0.000000
     9  H    1.102294   1.796245   1.792131   0.000000
    10  C    2.487994   3.416951   2.776272   2.739277   0.000000
    11  H    2.627375   3.665468   2.469763   2.879682   1.101299
    12  H    3.394413   4.193341   3.651488   3.780917   1.097859
    13  H    2.904958   3.837682   3.369149   2.732872   1.102557
    14  C    7.170535   7.740214   6.656475   7.963225   5.880417
    15  O    7.655372   8.160671   7.009121   8.487894   6.681654
    16  N    6.870117   7.337271   6.536845   7.722223   5.556559
    17  H    7.195566   7.895212   6.696131   7.868161   5.628161
    18  C    7.139271   7.397256   6.841304   8.106414   6.230906
    19  H    6.506576   6.668703   6.343040   7.496940   5.726059
    20  H    8.172427   8.402193   7.918692   9.135910   7.182280
    21  H    7.187930   7.400361   6.754469   8.190065   6.571494
    22  C    6.678756   7.211058   6.544599   7.428326   4.981477
    23  H    7.607699   8.086246   7.549493   8.353800   5.874198
    24  H    5.830633   6.300063   5.821930   6.598893   4.223774
    25  H    6.715997   7.391315   6.545794   7.344513   4.760199
    26  C    3.915229   4.713747   2.921332   4.220199   4.012835
    27  O    4.036680   4.612309   2.952104   4.368707   4.803230
    28  N    4.765383   5.569427   3.840154   5.210064   4.303847
    29  H    3.518546   4.470090   2.717807   3.592611   3.360216
    30  C    5.256277   6.186990   4.541275   5.606870   4.056632
    31  H    6.273783   7.221788   5.530219   6.542267   5.047653
    32  H    5.486516   6.350531   4.861921   5.982972   4.070847
    33  H    4.743187   5.763236   4.178227   4.933152   3.318756
    34  C    5.752464   6.387522   4.764237   6.344369   5.504907
    35  H    6.659580   7.322780   5.640288   7.155065   6.398171
    36  H    5.502002   5.977685   4.468053   6.171510   5.710644
    37  H    6.144375   6.759658   5.253136   6.830417   5.610618
    38  C    5.414606   5.046236   5.103190   6.504033   6.269296
    39  O    5.005595   4.458927   4.939039   6.072399   6.034964
    40  N    5.142688   4.896438   4.579960   6.183015   6.136739
    41  H    6.347890   6.054712   6.020136   7.447213   6.908173
    42  C    4.217693   3.920053   3.585338   5.164059   5.676751
    43  H    3.433833   2.969299   3.038287   4.411837   5.089886
    44  H    4.933296   4.508230   4.311886   5.783739   6.636142
    45  H    3.990324   3.964471   3.132261   4.854604   5.272423
    46  C    6.158624   6.087764   5.428246   7.156079   6.860954
    47  H    6.887811   6.816959   6.236274   7.925171   7.349002
    48  H    5.854141   5.976728   5.017580   6.792594   6.325325
    49  H    6.786110   6.650257   6.000978   7.731898   7.717478
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796023   0.000000
    13  H    1.791165   1.798092   0.000000
    14  C    5.488349   5.258980   6.818463   0.000000
    15  O    6.172641   6.194342   7.662228   1.242896   0.000000
    16  N    5.415221   4.798180   6.514291   1.360797   2.315733
    17  H    5.183166   4.993342   6.456274   1.108132   2.057689
    18  C    6.184660   5.535111   7.253109   2.468748   2.863124
    19  H    5.838310   5.040964   6.741160   3.269438   3.776650
    20  H    7.192240   6.408645   8.168942   3.078401   3.415265
    21  H    6.386993   6.023423   7.640902   2.575473   2.479714
    22  C    5.056832   4.038886   5.807330   2.466299   3.636149
    23  H    6.054302   4.865565   6.632788   3.175674   4.277767
    24  H    4.471942   3.271178   5.069090   3.194888   4.279556
    25  H    4.733560   3.826363   5.478427   2.550140   3.792239
    26  C    2.973186   4.609273   4.615426   5.640755   5.745165
    27  O    3.873449   5.491982   5.409272   6.408722   6.341127
    28  N    3.269853   4.592316   5.030921   4.464149   4.533215
    29  H    2.312297   4.078222   3.761919   6.067634   6.369361
    30  C    3.086233   4.113944   4.674604   4.032031   4.403441
    31  H    4.074637   5.085692   5.554387   4.438515   4.695244
    32  H    3.289074   3.850995   4.818349   2.989770   3.522448
    33  H    2.355859   3.484184   3.760217   4.741387   5.290376
    34  C    4.553391   5.673257   6.342541   4.143214   3.812873
    35  H    5.387010   6.593901   7.152825   4.791214   4.331498
    36  H    4.823718   5.971784   6.594970   4.684027   4.250429
    37  H    4.767875   5.565990   6.521063   3.104523   2.716209
    38  C    6.233533   6.256795   7.291941   5.902304   5.790285
    39  O    6.192717   6.059472   6.975235   6.626459   6.700078
    40  N    5.875145   6.275397   7.158615   5.746528   5.477290
    41  H    6.867102   6.744440   7.966024   5.591865   5.397162
    42  C    5.358901   6.066822   6.592138   6.490626   6.311123
    43  H    4.953003   5.522217   5.949584   6.766321   6.778797
    44  H    6.299640   7.098552   7.492812   7.467620   7.181780
    45  H    4.764870   5.723477   6.173292   6.068546   5.873422
    46  C    6.423918   6.928661   7.913824   5.266212   4.705295
    47  H    6.984323   7.260425   8.434882   4.974016   4.351373
    48  H    5.757299   6.403863   7.366542   4.587862   4.015252
    49  H    7.223492   7.877739   8.736031   6.208759   5.526600
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056587   0.000000
    18  C    1.465112   3.417038   0.000000
    19  H    2.098250   4.090661   1.101590   0.000000
    20  H    2.122397   3.985702   1.102789   1.791743   0.000000
    21  H    2.102711   3.653194   1.097773   1.797200   1.797265
    22  C    1.463206   2.560736   2.491586   2.611396   2.935314
    23  H    2.115309   3.305548   2.798800   2.934132   2.824688
    24  H    2.107239   3.348136   2.733319   2.395790   3.338414
    25  H    2.104609   2.154664   3.418455   3.631456   3.890924
    26  C    6.130750   5.462939   6.793599   6.760207   7.867811
    27  O    6.870162   6.389991   7.326343   7.248152   8.412925
    28  N    5.139819   4.239927   5.930375   6.083082   6.955760
    29  H    6.447997   5.752125   7.216130   7.096567   8.281646
    30  C    4.736248   3.473988   5.822164   6.039416   6.764497
    31  H    5.346870   3.744836   6.511210   6.861532   7.379546
    32  H    3.670339   2.417043   4.832158   5.113804   5.731487
    33  H    5.227399   4.122063   6.331880   6.396320   7.283244
    34  C    5.004992   4.165210   5.612549   5.941142   6.583869
    35  H    5.817211   4.709708   6.482498   6.911577   7.390322
    36  H    5.378145   4.911190   5.721969   5.944424   6.721792
    37  H    4.055762   3.225471   4.695490   5.155487   5.611189
    38  C    5.391890   6.725988   4.526888   3.964834   5.306154
    39  O    5.947056   7.370300   5.120498   4.336930   5.871599
    40  N    5.541739   6.496750   4.922736   4.578325   5.819663
    41  H    5.040058   6.530176   3.959600   3.510792   4.588454
    42  C    6.372610   7.060314   5.999098   5.594150   6.983597
    43  H    6.476974   7.276835   6.127458   5.550281   7.115328
    44  H    7.398757   8.058935   6.956536   6.572504   7.901132
    45  H    6.145205   6.519307   6.008149   5.736116   7.050153
    46  C    5.342412   6.075474   4.764959   4.751536   5.603835
    47  H    4.961466   5.913590   4.169086   4.252227   4.865486
    48  H    4.876564   5.284516   4.595027   4.711844   5.517311
    49  H    6.385942   6.995676   5.805720   5.827109   6.593919
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389821   0.000000
    23  H    3.832174   1.102392   0.000000
    24  H    3.605777   1.102610   1.789950   0.000000
    25  H    4.177663   1.098959   1.797565   1.795124   0.000000
    26  C    6.520532   6.447500   7.549609   6.180252   6.148783
    27  O    6.912625   7.322862   8.419605   6.998643   7.151107
    28  N    5.654193   5.578439   6.667835   5.516400   5.228220
    29  H    7.096407   6.517395   7.601964   6.172331   6.120883
    30  C    5.776544   4.911667   5.957576   4.983156   4.317230
    31  H    6.431488   5.570539   6.552465   5.803251   4.865407
    32  H    4.875198   3.866759   4.901045   4.049141   3.297016
    33  H    6.416566   5.116679   6.145969   5.029271   4.458602
    34  C    5.100334   5.802063   6.840630   5.889940   5.601810
    35  H    5.931357   6.642010   7.649617   6.833645   6.348422
    36  H    5.084374   6.254154   7.287478   6.215620   6.217490
    37  H    4.196267   4.976902   5.964297   5.201626   4.831112
    38  C    4.033138   6.103532   6.753528   5.546010   6.841263
    39  O    4.853382   6.398393   7.002214   5.661819   7.149720
    40  N    4.259837   6.376564   7.173213   5.916932   6.949695
    41  H    3.389321   5.888710   6.419761   5.469408   6.720699
    42  C    5.435596   7.036733   7.935183   6.476598   7.456567
    43  H    5.741760   6.928618   7.803646   6.222796   7.359631
    44  H    6.315514   8.116861   9.002387   7.568068   8.543597
    45  H    5.439220   6.818643   7.798019   6.344606   7.090526
    46  C    3.867463   6.436397   7.230200   6.220421   6.955220
    47  H    3.190194   6.157026   6.827168   6.036295   6.787033
    48  H    3.733020   5.973494   6.854739   5.843106   6.344410
    49  H    4.856109   7.515072   8.310755   7.316575   8.002195
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242743   0.000000
    28  N    1.360898   2.314660   0.000000
    29  H    1.107862   2.057839   2.057109   0.000000
    30  C    2.465497   3.634331   1.463213   2.561544   0.000000
    31  H    3.131607   4.223055   2.117543   3.252765   1.102990
    32  H    3.234582   4.326965   2.108121   3.397452   1.101842
    33  H    2.553737   3.796168   2.102995   2.162542   1.098615
    34  C    2.462332   2.850104   1.465300   3.413495   2.498215
    35  H    3.020940   3.315348   2.124226   3.940746   2.958494
    36  H    2.586213   2.503077   2.100369   3.659055   3.388332
    37  H    3.293608   3.809989   2.097874   4.115565   2.612547
    38  C    6.186131   5.959485   6.138715   6.764522   6.943765
    39  O    6.581372   6.372713   6.700456   6.992972   7.435620
    40  N    5.236702   4.861727   5.242309   5.953873   6.247852
    41  H    6.821061   6.682987   6.570363   7.446985   7.273399
    42  C    4.528195   3.937341   4.901776   5.181124   6.055854
    43  H    4.694061   4.223983   5.195351   5.130865   6.213028
    44  H    5.205807   4.400286   5.685981   5.896009   6.941154
    45  H    3.503380   2.881222   3.905308   4.249739   5.150582
    46  C    5.300572   4.947337   5.036434   6.191549   6.069376
    47  H    6.106035   5.893566   5.661411   6.967255   6.520309
    48  H    4.411121   4.173303   4.016687   5.350440   5.058335
    49  H    5.761272   5.202738   5.605537   6.720071   6.770171
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788186   0.000000
    33  H    1.798566   1.793347   0.000000
    34  C    2.821031   2.732579   3.420630   0.000000
    35  H    2.869241   3.352490   3.913342   1.103413   0.000000
    36  H    3.850284   3.595888   4.167756   1.097524   1.796275
    37  H    2.947905   2.391305   3.627779   1.099669   1.791494
    38  C    7.882685   6.529883   7.288419   5.825836   6.806888
    39  O    8.448961   7.051450   7.609559   6.624562   7.653006
    40  N    7.122111   5.990572   6.675056   4.812735   5.727069
    41  H    8.153498   6.726820   7.719126   6.097760   7.041432
    42  C    6.951466   6.042149   6.334718   4.729253   5.608874
    43  H    7.195615   6.189736   6.313844   5.301481   6.251878
    44  H    7.777489   7.007139   7.235565   5.417386   6.174677
    45  H    5.993937   5.259578   5.468281   3.760835   4.607195
    46  C    6.781575   5.782774   6.713442   4.221659   4.987490
    47  H    7.204188   6.064760   7.214269   4.778512   5.528701
    48  H    5.717945   4.820669   5.769185   3.126139   3.902822
    49  H    7.404811   6.599627   7.441198   4.682220   5.281115
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796149   0.000000
    38  C    5.127028   5.616111   0.000000
    39  O    5.961167   6.476997   1.242526   0.000000
    40  N    3.981626   4.772384   1.361323   2.316895   0.000000
    41  H    5.477041   5.708320   1.108994   2.058295   2.056280
    42  C    3.822202   5.001884   2.470090   2.866497   1.465448
    43  H    4.520196   5.556964   2.570053   2.471724   2.101093
    44  H    4.410306   5.786216   3.086606   3.436495   2.119297
    45  H    2.852473   4.182500   3.266124   3.767810   2.101702
    46  C    3.385068   4.079049   2.464969   3.635142   1.462867
    47  H    4.104018   4.393247   2.547390   3.788937   2.104373
    48  H    2.338359   3.004562   3.183505   4.266711   2.107495
    49  H    3.725129   4.696005   3.185844   4.290645   2.115307
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417868   0.000000
    43  H    3.650242   1.097727   0.000000
    44  H    3.988708   1.102741   1.798693   0.000000
    45  H    4.089698   1.101153   1.796206   1.792068   0.000000
    46  C    2.556622   2.492268   3.390862   2.926642   2.621832
    47  H    2.148048   3.419420   4.179617   3.879109   3.644062
    48  H    3.330662   2.742940   3.616842   3.341810   2.417351
    49  H    3.315707   2.791771   3.825130   2.806764   2.934874
                   46         47         48         49
    46  C    0.000000
    47  H    1.098844   0.000000
    48  H    1.102665   1.793998   0.000000
    49  H    1.102406   1.797687   1.790031   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144265      0.1933521      0.1844487
 Leave Link  202 at Mon Nov 14 01:55:17 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.3133317582 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840853130 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.1292464453 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4031
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.52D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     216
 GePol: Fraction of low-weight points (<1% of avg)   =       5.36%
 GePol: Cavity surface area                          =    466.798 Ang**2
 GePol: Cavity volume                                =    457.850 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040172688 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.1252291765 Hartrees.
 Leave Link  301 at Mon Nov 14 01:55:17 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:55:19 2016, MaxMem=  2952790016 cpu:        14.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:55:19 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001822    0.001734    0.000835
         Rot=    1.000000   -0.000074    0.000102   -0.000190 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50880934866    
 Leave Link  401 at Mon Nov 14 01:55:25 2016, MaxMem=  2952790016 cpu:        79.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48746883.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.99D-15 for   3914.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.88D-15 for   2328    134.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.44D-15 for   3165.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.04D-10 for   2435   2428.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.04D-14 for   2046.
 Iteration    2 A*A^-1 deviation from orthogonality  is 9.86D-15 for   2428    157.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.66D-15 for    474.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.72D-16 for   2349    171.
 E= -1013.45104378797    
 DIIS: error= 3.13D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45104378797     IErMin= 1 ErrMin= 3.13D-04
 ErrMax= 3.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-04 BMatP= 1.30D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.13D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.80D-05 MaxDP=2.44D-03              OVMax= 3.67D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.80D-05    CP:  1.00D+00
 E= -1013.45128008539     Delta-E=       -0.000236297422 Rises=F Damp=F
 DIIS: error= 3.13D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128008539     IErMin= 2 ErrMin= 3.13D-05
 ErrMax= 3.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-06 BMatP= 1.30D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-01 0.990D+00
 Coeff:      0.103D-01 0.990D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.67D-06 MaxDP=3.87D-04 DE=-2.36D-04 OVMax= 3.98D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.56D-06    CP:  1.00D+00  9.81D-01
 E= -1013.45127887368     Delta-E=        0.000001211709 Rises=F Damp=F
 DIIS: error= 5.46D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128008539     IErMin= 2 ErrMin= 3.13D-05
 ErrMax= 5.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-06 BMatP= 1.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.114D-02 0.623D+00 0.376D+00
 Coeff:      0.114D-02 0.623D+00 0.376D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.04D-06 MaxDP=4.11D-04 DE= 1.21D-06 OVMax= 4.06D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.14D-06    CP:  1.00D+00  9.87D-01  4.82D-01
 E= -1013.45128074630     Delta-E=       -0.000001872616 Rises=F Damp=F
 DIIS: error= 2.38D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128074630     IErMin= 4 ErrMin= 2.38D-05
 ErrMax= 2.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.61D-07 BMatP= 1.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.564D-04 0.287D+00 0.271D+00 0.442D+00
 Coeff:     -0.564D-04 0.287D+00 0.271D+00 0.442D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.92D-06 MaxDP=1.56D-04 DE=-1.87D-06 OVMax= 2.03D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.00D+00  9.88D-01  5.37D-01  5.00D-01
 E= -1013.45128100132     Delta-E=       -0.000000255022 Rises=F Damp=F
 DIIS: error= 1.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128100132     IErMin= 5 ErrMin= 1.05D-05
 ErrMax= 1.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-08 BMatP= 3.61D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.571D-04 0.154D+00 0.166D+00 0.331D+00 0.349D+00
 Coeff:     -0.571D-04 0.154D+00 0.166D+00 0.331D+00 0.349D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.91D-07 MaxDP=4.63D-05 DE=-2.55D-07 OVMax= 6.12D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.18D-07    CP:  1.00D+00  9.89D-01  5.19D-01  5.45D-01  5.50D-01
 E= -1013.45128105273     Delta-E=       -0.000000051414 Rises=F Damp=F
 DIIS: error= 4.40D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128105273     IErMin= 6 ErrMin= 4.40D-07
 ErrMax= 4.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-10 BMatP= 5.97D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.244D-04 0.404D-01 0.456D-01 0.957D-01 0.123D+00 0.695D+00
 Coeff:     -0.244D-04 0.404D-01 0.456D-01 0.957D-01 0.123D+00 0.695D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.82D-08 MaxDP=3.35D-06 DE=-5.14D-08 OVMax= 3.09D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.69D-08    CP:  1.00D+00  9.89D-01  5.22D-01  5.46D-01  5.55D-01
                    CP:  9.00D-01
 E= -1013.45128105282     Delta-E=       -0.000000000088 Rises=F Damp=F
 DIIS: error= 2.18D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45128105282     IErMin= 7 ErrMin= 2.18D-07
 ErrMax= 2.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.20D-11 BMatP= 2.54D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-04 0.954D-02 0.115D-01 0.254D-01 0.387D-01 0.381D+00
 Coeff-Com:  0.533D+00
 Coeff:     -0.108D-04 0.954D-02 0.115D-01 0.254D-01 0.387D-01 0.381D+00
 Coeff:      0.533D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.26D-08 MaxDP=1.72D-06 DE=-8.78D-11 OVMax= 1.42D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.48D-08    CP:  1.00D+00  9.89D-01  5.21D-01  5.47D-01  5.55D-01
                    CP:  9.14D-01  7.20D-01
 E= -1013.45128105292     Delta-E=       -0.000000000100 Rises=F Damp=F
 DIIS: error= 2.77D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45128105292     IErMin= 8 ErrMin= 2.77D-08
 ErrMax= 2.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-12 BMatP= 6.20D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.251D-05 0.740D-03 0.113D-02 0.266D-02 0.575D-02 0.897D-01
 Coeff-Com:  0.197D+00 0.703D+00
 Coeff:     -0.251D-05 0.740D-03 0.113D-02 0.266D-02 0.575D-02 0.897D-01
 Coeff:      0.197D+00 0.703D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.12D-09 MaxDP=1.94D-07 DE=-9.96D-11 OVMax= 2.56D-07

 Error on total polarization charges =  0.04305
 SCF Done:  E(RB97D) =  -1013.45128105     A.U. after    8 cycles
            NFock=  8  Conv=0.51D-08     -V/T= 2.0213
 KE= 9.923497078203D+02 PE=-6.027753742352D+03 EE= 2.173827524303D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:57:08 2016, MaxMem=  2952790016 cpu:      1176.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 01:57:17 2016, MaxMem=  2952790016 cpu:        98.2
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:57:17 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 01:57:54 2016, MaxMem=  2952790016 cpu:       441.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24665277D+00-2.69519070D+00 3.28227700D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000063050   -0.000163627   -0.000072922
      2        6           0.000118777    0.000080553    0.000109277
      3        8          -0.000005633   -0.000014649   -0.000013354
      4        7           0.000125422    0.000115312    0.000055619
      5        1           0.000014057    0.000049422   -0.000078840
      6        6           0.000075733   -0.000159152   -0.000110379
      7        1           0.000005198   -0.000004362    0.000094733
      8        1          -0.000082983    0.000059516    0.000005889
      9        1          -0.000002955    0.000136166    0.000108069
     10        6           0.000009917    0.000024243   -0.000064582
     11        1           0.000009290   -0.000004855    0.000042946
     12        1          -0.000003544    0.000034981    0.000034591
     13        1           0.000037014    0.000003369    0.000021523
     14        6           0.000019388   -0.000034684   -0.000061691
     15        8           0.000003214    0.000014766    0.000014640
     16        7           0.000002113    0.000040319   -0.000033321
     17        1          -0.000009838   -0.000042743    0.000003861
     18        6           0.000027925   -0.000003065   -0.000009581
     19        1          -0.000008512    0.000005094   -0.000013001
     20        1          -0.000005108   -0.000001291   -0.000052313
     21        1          -0.000027931   -0.000020275   -0.000043100
     22        6           0.000001510    0.000024625   -0.000057655
     23        1          -0.000000007    0.000016369   -0.000032408
     24        1          -0.000002499    0.000011013   -0.000014359
     25        1           0.000007546    0.000004294   -0.000030126
     26        6           0.000071583   -0.000034194    0.000013007
     27        8          -0.000061896    0.000019859    0.000027290
     28        7           0.000053358    0.000066315    0.000027984
     29        1           0.000023530    0.000008991    0.000046786
     30        6          -0.000049487   -0.000018314   -0.000077067
     31        1          -0.000037844    0.000001999    0.000075384
     32        1           0.000019653    0.000003837    0.000026526
     33        1           0.000047282   -0.000016872    0.000040616
     34        6          -0.000022917   -0.000096216   -0.000000160
     35        1          -0.000020147   -0.000019824   -0.000005472
     36        1           0.000004854   -0.000008832    0.000034925
     37        1          -0.000038731   -0.000001239   -0.000007715
     38        6           0.000055368   -0.000078576    0.000045766
     39        8          -0.000018098    0.000032804   -0.000047030
     40        7          -0.000044256    0.000031801   -0.000115932
     41        1          -0.000043741    0.000016216   -0.000027160
     42        6          -0.000396559   -0.000224487    0.000079289
     43        1           0.000019909    0.000073297    0.000060530
     44        1           0.000275906    0.000105501   -0.000089657
     45        1          -0.000073626    0.000095468    0.000090251
     46        6           0.000041054   -0.000033517    0.000035505
     47        1          -0.000011132   -0.000027899   -0.000026896
     48        1          -0.000013728   -0.000050820    0.000017071
     49        1          -0.000025376   -0.000016636   -0.000027356
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000396559 RMS     0.000068065
 Leave Link  716 at Mon Nov 14 01:57:54 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000074246 RMS     0.000012836
 Search for a local minimum.
 Step number  38 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .12836D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   31   32   33   34   35
                                                     36   37   38
 DE= -6.57D-06 DEPred=-7.36D-06 R= 8.93D-01
 TightC=F SS=  1.41D+00  RLast= 1.75D-01 DXNew= 2.2445D+00 5.2383D-01
 Trust test= 8.93D-01 RLast= 1.75D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00024   0.00055   0.00084   0.00117   0.00176
     Eigenvalues ---    0.00268   0.00348   0.00374   0.00458   0.00531
     Eigenvalues ---    0.00623   0.00687   0.00749   0.00778   0.00806
     Eigenvalues ---    0.00859   0.00990   0.01019   0.01038   0.01132
     Eigenvalues ---    0.01184   0.01228   0.01285   0.01332   0.01398
     Eigenvalues ---    0.01470   0.01570   0.01635   0.01645   0.01713
     Eigenvalues ---    0.01801   0.01847   0.01879   0.01906   0.01953
     Eigenvalues ---    0.01994   0.02122   0.02262   0.02302   0.02403
     Eigenvalues ---    0.02480   0.02709   0.02759   0.03080   0.03141
     Eigenvalues ---    0.03824   0.04248   0.04365   0.04582   0.04821
     Eigenvalues ---    0.05388   0.05712   0.05931   0.06087   0.06289
     Eigenvalues ---    0.06418   0.06583   0.06882   0.07114   0.07182
     Eigenvalues ---    0.07587   0.07714   0.07995   0.08036   0.08195
     Eigenvalues ---    0.08243   0.08309   0.08509   0.08664   0.08758
     Eigenvalues ---    0.08899   0.08957   0.09260   0.09386   0.09637
     Eigenvalues ---    0.09772   0.09883   0.10048   0.10092   0.10302
     Eigenvalues ---    0.10469   0.10564   0.10602   0.10660   0.11156
     Eigenvalues ---    0.11288   0.11370   0.11486   0.12167   0.13242
     Eigenvalues ---    0.13463   0.13867   0.14518   0.15176   0.15321
     Eigenvalues ---    0.15581   0.16258   0.21919   0.23075   0.23430
     Eigenvalues ---    0.23779   0.24511   0.24906   0.25775   0.26490
     Eigenvalues ---    0.27028   0.27747   0.28601   0.29277   0.29670
     Eigenvalues ---    0.29852   0.30025   0.32721   0.32727   0.32821
     Eigenvalues ---    0.32827   0.33301   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33416   0.33427   0.33454   0.33492   0.33687
     Eigenvalues ---    0.33793   0.33825   0.33832   0.33916   0.33934
     Eigenvalues ---    0.33996   0.34017   0.34139   0.37280   0.39354
     Eigenvalues ---    0.40539   0.41362   0.85950   0.85994   0.86103
     Eigenvalues ---    0.87242
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    38   37   36   35   34
 RFO step:  Lambda=-5.04717945D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.76D-06 SmlDif=  1.00D-05
 RMS Error=  0.5132754697D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.00459   -0.33553    0.25161   -0.35117    0.43050
 Iteration  1 RMS(Cart)=  0.00144324 RMS(Int)=  0.00001804
 Iteration  2 RMS(Cart)=  0.00000207 RMS(Int)=  0.00001238
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001238
 ITry= 1 IFail=0 DXMaxC= 1.50D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58627   0.00000   0.00197   0.00122   0.00320   6.58946
    R2        6.25983   0.00003   0.00059   0.00108   0.00167   6.26150
    R3        7.25540   0.00001  -0.00567   0.00211  -0.00351   7.25189
    R4        6.35339   0.00001  -0.01182   0.00316  -0.00866   6.34473
    R5        6.52705   0.00001  -0.00054   0.00036  -0.00019   6.52686
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   A163       2.22111  -0.00001   0.00214  -0.00040   0.00174   2.22285
   A164       1.51985   0.00000   0.00201  -0.00055   0.00146   1.52131
   A165       1.66397   0.00000   0.00180   0.00012   0.00192   1.66589
   A166       2.15550   0.00000  -0.00121   0.00025  -0.00096   2.15454
   A167       1.85797   0.00001  -0.00090   0.00024  -0.00066   1.85730
   A168       1.47212   0.00000  -0.00104   0.00025  -0.00079   1.47132
   A169       1.19323   0.00001  -0.00095   0.00028  -0.00068   1.19256
   A170       1.86766  -0.00001  -0.00040   0.00005  -0.00036   1.86730
   A171       2.01666   0.00000   0.00198   0.00010   0.00208   2.01875
   A172       2.31042   0.00000   0.00171   0.00018   0.00189   2.31231
   A173       2.72834   0.00000   0.00162   0.00002   0.00165   2.72999
   A174       2.13521   0.00000   0.00103   0.00010   0.00113   2.13634
   A175       2.12115  -0.00001   0.00042   0.00085   0.00129   2.12244
   A176       2.26145   0.00000  -0.00151   0.00025  -0.00126   2.26019
   A177       2.04371   0.00001  -0.00118   0.00025  -0.00093   2.04278
   A178       1.63329   0.00000  -0.00122   0.00026  -0.00097   1.63232
   A179       1.38362   0.00001  -0.00112   0.00030  -0.00083   1.38279
   A180       2.13275  -0.00001  -0.00061   0.00006  -0.00055   2.13220
   A181       1.93834   0.00000   0.00234  -0.00019   0.00215   1.94050
   A182       2.30414  -0.00001   0.00223  -0.00009   0.00214   2.30628
   A183       2.62507  -0.00001   0.00199  -0.00011   0.00190   2.62696
   A184       2.27155   0.00000   0.00164  -0.00010   0.00155   2.27310
   A185       2.33876   0.00000   0.00094   0.00076   0.00172   2.34048
   A186       0.69196   0.00000  -0.00008  -0.00001  -0.00009   0.69187
   A187       0.98323   0.00000  -0.00014  -0.00002  -0.00016   0.98307
   A188       0.70043   0.00000  -0.00009  -0.00003  -0.00012   0.70031
   A189       2.08180   0.00000  -0.00083  -0.00011  -0.00094   2.08086
   A190       1.71365   0.00000  -0.00075  -0.00009  -0.00084   1.71282
   A191       1.37258   0.00000  -0.00054  -0.00020  -0.00075   1.37184
   A192       1.07116   0.00001  -0.00050  -0.00002  -0.00053   1.07063
   A193       1.62477   0.00000  -0.00068   0.00021  -0.00048   1.62429
   A194       1.40745   0.00000  -0.00066  -0.00033  -0.00099   1.40645
   A195       0.66692   0.00000   0.00002  -0.00004  -0.00002   0.66689
   A196       2.24698   0.00000  -0.00104   0.00029  -0.00076   2.24623
   A197       1.85143   0.00000  -0.00097   0.00017  -0.00081   1.85063
   A198       1.61428   0.00000  -0.00080  -0.00014  -0.00095   1.61333
   A199       1.29790   0.00001  -0.00056   0.00008  -0.00049   1.29741
   A200       1.62111   0.00000  -0.00094   0.00040  -0.00055   1.62056
   A201       1.34851   0.00000  -0.00095   0.00003  -0.00092   1.34759
   A202       0.71151  -0.00001  -0.00007  -0.00016  -0.00023   0.71128
   A203       2.64266   0.00000  -0.00111   0.00046  -0.00065   2.64202
   A204       2.25236   0.00000  -0.00105   0.00024  -0.00081   2.25155
   A205       2.02451   0.00000  -0.00078  -0.00016  -0.00095   2.02356
   A206       1.70856   0.00001  -0.00058   0.00006  -0.00053   1.70803
   A207       1.96406  -0.00001  -0.00109   0.00047  -0.00062   1.96344
   A208       1.67651  -0.00001  -0.00114   0.00026  -0.00089   1.67562
   A209       0.83429  -0.00001   0.00012  -0.00024  -0.00013   0.83416
   A210       2.70466   0.00000  -0.00063   0.00080   0.00018   2.70484
   A211       2.38861   0.00000  -0.00087   0.00038  -0.00049   2.38812
   A212       2.26976   0.00000  -0.00081  -0.00017  -0.00098   2.26878
   A213       1.95588   0.00001  -0.00050   0.00006  -0.00045   1.95544
   A214       2.02012  -0.00001  -0.00088   0.00046  -0.00042   2.01970
   A215       1.73780  -0.00001  -0.00097   0.00042  -0.00055   1.73725
   A216       1.93843   0.00001  -0.00103   0.00074  -0.00029   1.93815
   A217       1.56554   0.00001  -0.00102   0.00054  -0.00048   1.56506
   A218       1.47278   0.00001  -0.00094   0.00012  -0.00083   1.47195
   A219       1.18396   0.00002  -0.00046   0.00035  -0.00012   1.18384
   A220       1.25281   0.00000  -0.00102   0.00063  -0.00039   1.25242
   A221       0.96623   0.00000  -0.00105   0.00037  -0.00068   0.96554
   A222       0.71702   0.00000  -0.00029  -0.00004  -0.00033   0.71669
   A223       1.01066  -0.00001  -0.00032  -0.00009  -0.00041   1.01025
   A224       0.69823   0.00001   0.00009   0.00020   0.00029   0.69851
   A225       0.98622   0.00001   0.00014   0.00031   0.00045   0.98667
   A226       0.66089  -0.00001  -0.00010  -0.00014  -0.00023   0.66065
   A227       0.66541   0.00002   0.00019  -0.00006   0.00013   0.66554
   A228       0.70850   0.00000  -0.00002  -0.00017  -0.00019   0.70831
   A229       0.84227   0.00001   0.00008  -0.00073  -0.00065   0.84162
   A230       0.77355  -0.00001   0.00033   0.00006   0.00039   0.77394
   A231       0.78202   0.00000   0.00054  -0.00061  -0.00006   0.78196
   A232       1.58708  -0.00001   0.00059  -0.00036   0.00022   1.58730
   A233       1.86268   0.00006   0.00027   0.00081   0.00109   1.86376
   A234       2.18997   0.00000   0.00001   0.00004   0.00005   2.19001
   A235       2.12969  -0.00001  -0.00007  -0.00009  -0.00016   2.12954
   A236       1.96312   0.00001   0.00007   0.00005   0.00013   1.96326
   A237       2.12487  -0.00002  -0.00037  -0.00002  -0.00039   2.12448
   A238       2.12718  -0.00003  -0.00015  -0.00015  -0.00028   2.12690
   A239       2.03045   0.00005   0.00040   0.00018   0.00060   2.03105
   A240       1.83004  -0.00004   0.00245  -0.00103   0.00142   1.83146
   A241       2.54350   0.00006  -0.00260   0.00116  -0.00139   2.54211
   A242       1.91425   0.00000  -0.00016   0.00010   0.00001   1.91426
   A243       1.91541   0.00000   0.00027  -0.00011   0.00016   1.91556
   A244       1.91481   0.00002   0.00032   0.00036   0.00054   1.91535
   A245       1.91174  -0.00004  -0.00036  -0.00041  -0.00080   1.91094
   A246       1.90910  -0.00002  -0.00005  -0.00013  -0.00016   1.90894
   A247       1.89842   0.00005  -0.00002   0.00019   0.00025   1.89867
   A248       1.28394  -0.00002   0.00096  -0.00041   0.00054   1.28447
   A249       1.90448  -0.00002   0.00011  -0.00005   0.00007   1.90455
   A250       1.91005   0.00002  -0.00017  -0.00007  -0.00025   1.90980
   A251       1.92728   0.00002   0.00004   0.00018   0.00022   1.92750
   A252       1.91129  -0.00002  -0.00005  -0.00006  -0.00012   1.91117
   A253       1.89768   0.00000  -0.00001   0.00000  -0.00001   1.89767
   A254       1.91293   0.00000   0.00009  -0.00001   0.00008   1.91301
   A255       1.72316  -0.00001  -0.00047   0.00007  -0.00039   1.72277
   A256       1.76482   0.00004   0.00099  -0.00004   0.00095   1.76577
   A257       2.19102  -0.00001  -0.00005   0.00005   0.00001   2.19103
   A258       2.13000  -0.00001  -0.00003  -0.00009  -0.00012   2.12988
   A259       1.96195   0.00001   0.00007   0.00004   0.00011   1.96206
   A260       2.12439   0.00000  -0.00008   0.00004  -0.00004   2.12435
   A261       2.12328   0.00001   0.00010   0.00006   0.00016   2.12344
   A262       2.03524  -0.00001   0.00000  -0.00010  -0.00010   2.03514
   A263       1.34553   0.00001  -0.00125   0.00149   0.00024   1.34577
   A264       1.89969   0.00001  -0.00010   0.00016   0.00007   1.89976
   A265       1.93196  -0.00001   0.00004  -0.00009  -0.00005   1.93191
   A266       1.90981   0.00001   0.00002   0.00006   0.00008   1.90988
   A267       1.89792  -0.00001   0.00007  -0.00011  -0.00005   1.89788
   A268       1.91288   0.00000  -0.00005   0.00003  -0.00002   1.91286
   A269       1.91144  -0.00001   0.00002  -0.00005  -0.00003   1.91141
   A270       2.66692  -0.00001  -0.00055  -0.00006  -0.00061   2.66631
   A271       1.69655   0.00001   0.00062   0.00000   0.00062   1.69718
   A272       1.92479   0.00000  -0.00008   0.00005  -0.00003   1.92476
   A273       1.91332   0.00000  -0.00003   0.00005   0.00003   1.91336
   A274       1.91350   0.00000   0.00003  -0.00001   0.00001   1.91352
   A275       1.89435   0.00000   0.00008  -0.00008  -0.00001   1.89434
   A276       1.91090   0.00000  -0.00001   0.00001   0.00000   1.91090
   A277       1.90678   0.00000   0.00001  -0.00003  -0.00002   1.90676
   A278       1.80878  -0.00003  -0.00012  -0.00005  -0.00017   1.80860
   A279       1.75082   0.00003   0.00050  -0.00039   0.00010   1.75093
   A280       2.18929  -0.00001  -0.00001   0.00013   0.00013   2.18942
   A281       2.13091   0.00000  -0.00003  -0.00008  -0.00011   2.13081
   A282       1.96291   0.00001   0.00003  -0.00006  -0.00003   1.96288
   A283       2.12198   0.00002   0.00014   0.00006   0.00020   2.12218
   A284       2.11473   0.00003   0.00003   0.00029   0.00031   2.11504
   A285       2.04367  -0.00005  -0.00019  -0.00035  -0.00055   2.04312
   A286       2.70610  -0.00005  -0.00125   0.00011  -0.00115   2.70496
   A287       1.65405   0.00004   0.00120  -0.00012   0.00109   1.65514
   A288       1.92727  -0.00001  -0.00022  -0.00016  -0.00038   1.92689
   A289       1.91534   0.00001   0.00004   0.00006   0.00010   1.91545
   A290       1.91161   0.00000   0.00007   0.00005   0.00013   1.91175
   A291       1.89182  -0.00002  -0.00006  -0.00004  -0.00009   1.89173
   A292       1.91215   0.00000   0.00003   0.00001   0.00003   1.91218
   A293       1.90542   0.00002   0.00013   0.00008   0.00021   1.90563
   A294       1.34301   0.00002   0.00014   0.00183   0.00198   1.34499
   A295       1.15907  -0.00002  -0.00027  -0.00118  -0.00145   1.15762
   A296       1.93363  -0.00002  -0.00006  -0.00022  -0.00028   1.93335
   A297       1.90660   0.00000  -0.00004   0.00005   0.00001   1.90661
   A298       1.90093   0.00002   0.00002   0.00020   0.00022   1.90115
   A299       1.90940   0.00000   0.00002   0.00002   0.00004   1.90944
   A300       1.89918   0.00001   0.00001  -0.00012  -0.00012   1.89906
   A301       1.91402   0.00000   0.00007   0.00006   0.00013   1.91416
   A302       1.71422   0.00002   0.00123   0.00036   0.00159   1.71582
   A303       1.77074   0.00001  -0.00096  -0.00121  -0.00217   1.76856
   A304       2.19273  -0.00001   0.00007  -0.00003   0.00004   2.19277
   A305       2.13034  -0.00001  -0.00012  -0.00004  -0.00017   2.13018
   A306       1.95982   0.00002   0.00006   0.00008   0.00013   1.95996
   A307       2.12525   0.00002  -0.00014   0.00025   0.00012   2.12537
   A308       2.12112   0.00000   0.00007   0.00011   0.00018   2.12130
   A309       2.03613  -0.00002   0.00009  -0.00039  -0.00030   2.03582
   A310       1.36278   0.00005   0.00218   0.00235   0.00452   1.36730
   A311       2.99192  -0.00003  -0.00158  -0.00243  -0.00399   2.98793
   A312       1.90721   0.00001   0.00010   0.00033   0.00042   1.90763
   A313       1.92726   0.00002   0.00018   0.00087   0.00117   1.92842
   A314       1.90449   0.00001   0.00016  -0.00007   0.00011   1.90460
   A315       1.91381  -0.00003  -0.00044  -0.00020  -0.00069   1.91312
   A316       1.91194   0.00003   0.00005   0.00013   0.00017   1.91211
   A317       1.89904  -0.00004  -0.00006  -0.00107  -0.00119   1.89785
   A318       1.71696  -0.00001  -0.00008  -0.00254  -0.00262   1.71434
   A319       1.91371  -0.00001   0.00002   0.00003   0.00004   1.91375
   A320       1.91403   0.00003   0.00041  -0.00006   0.00034   1.91437
   A321       1.92518  -0.00002  -0.00018  -0.00004  -0.00022   1.92496
   A322       1.90509  -0.00002  -0.00004   0.00000  -0.00004   1.90506
   A323       1.91122   0.00001  -0.00011   0.00010  -0.00001   1.91121
   A324       1.89439   0.00000  -0.00009  -0.00003  -0.00012   1.89427
   A325       2.92704   0.00000  -0.00049  -0.00005  -0.00053   2.92652
   A326       3.34702   0.00000  -0.00020  -0.00034  -0.00052   3.34650
   A327       3.06488   0.00000  -0.00019  -0.00034  -0.00051   3.06437
   A328       3.19687  -0.00002   0.00105  -0.00042   0.00062   3.19749
   A329       3.25697   0.00000  -0.00123   0.00144   0.00021   3.25718
   A330       3.25241   0.00002   0.00016   0.00186   0.00202   3.25443
   A331       3.62818   0.00001  -0.00019  -0.00244  -0.00263   3.62555
   A332       3.20939   0.00001   0.00123   0.00000   0.00121   3.21060
   A333       3.01675  -0.00001   0.00187  -0.00014   0.00173   3.01848
   A334       2.95396  -0.00001   0.00203  -0.00020   0.00184   2.95580
   A335       3.22766   0.00002   0.00105   0.00031   0.00137   3.22903
   A336       3.08052   0.00000   0.00020  -0.00028  -0.00009   3.08043
   A337       3.10670   0.00000  -0.00021  -0.00049  -0.00069   3.10600
   A338       3.03748   0.00001  -0.00055   0.00016  -0.00038   3.03710
    D1        2.75728   0.00001   0.00052   0.00010   0.00062   2.75790
    D2       -1.36237   0.00000   0.00072   0.00005   0.00078  -1.36160
    D3        2.77921   0.00001   0.00165  -0.00017   0.00147   2.78068
    D4       -1.34044   0.00001   0.00186  -0.00022   0.00162  -1.33882
    D5        1.66290  -0.00001  -0.00030   0.00011  -0.00019   1.66271
    D6       -2.45675  -0.00001  -0.00010   0.00006  -0.00004  -2.45678
    D7        1.84427  -0.00001  -0.00057   0.00019  -0.00037   1.84390
    D8       -2.27538  -0.00001  -0.00037   0.00014  -0.00022  -2.27560
    D9        0.31716   0.00001   0.00015  -0.00004   0.00011   0.31727
   D10        2.48069   0.00001   0.00035  -0.00009   0.00026   2.48096
   D11        0.03714   0.00000   0.00037  -0.00017   0.00020   0.03733
   D12        2.20067   0.00000   0.00057  -0.00022   0.00035   2.20102
   D13       -0.43018   0.00000   0.00042  -0.00017   0.00025  -0.42993
   D14        1.73336   0.00000   0.00062  -0.00022   0.00041   1.73377
   D15       -0.54837   0.00000   0.00052  -0.00050   0.00002  -0.54835
   D16        1.61517   0.00000   0.00072  -0.00055   0.00018   1.61534
   D17        0.21967   0.00000   0.00023  -0.00023   0.00000   0.21966
   D18        2.38320   0.00000   0.00043  -0.00028   0.00015   2.38335
   D19        0.15688   0.00000   0.00040  -0.00029   0.00011   0.15699
   D20        2.32041  -0.00001   0.00060  -0.00034   0.00026   2.32068
   D21        2.40254   0.00000  -0.00119  -0.00001  -0.00120   2.40135
   D22       -1.71711   0.00000  -0.00099  -0.00006  -0.00104  -1.71815
   D23        2.15715   0.00001  -0.00125   0.00001  -0.00124   2.15591
   D24       -1.96250   0.00001  -0.00105  -0.00003  -0.00108  -1.96359
   D25        1.71476   0.00001  -0.00117   0.00005  -0.00112   1.71364
   D26       -2.40489   0.00000  -0.00096   0.00000  -0.00096  -2.40586
   D27        1.40684   0.00001  -0.00113   0.00012  -0.00102   1.40583
   D28       -2.71281   0.00001  -0.00092   0.00007  -0.00086  -2.71367
   D29        2.36687   0.00000  -0.00154  -0.00028  -0.00183   2.36504
   D30       -1.75278  -0.00001  -0.00134  -0.00033  -0.00167  -1.75445
   D31       -1.79618   0.00000  -0.00183  -0.00028  -0.00211  -1.79829
   D32        0.36735   0.00000  -0.00163  -0.00032  -0.00195   0.36540
   D33       -2.13016   0.00000  -0.00170  -0.00027  -0.00197  -2.13213
   D34        0.03338   0.00000  -0.00150  -0.00032  -0.00182   0.03156
   D35       -2.51321   0.00000  -0.00152  -0.00023  -0.00176  -2.51497
   D36       -0.34968   0.00000  -0.00132  -0.00028  -0.00160  -0.35128
   D37       -2.79708   0.00001  -0.00164  -0.00009  -0.00173  -2.79881
   D38       -0.63355   0.00001  -0.00143  -0.00014  -0.00158  -0.63512
   D39       -2.12820  -0.00001  -0.00160  -0.00006  -0.00165  -2.12984
   D40        0.03534  -0.00001  -0.00139  -0.00010  -0.00149   0.03385
   D41       -2.37080  -0.00002  -0.00196  -0.00082  -0.00276  -2.37356
   D42       -0.20726  -0.00002  -0.00176  -0.00087  -0.00261  -0.20987
   D43        1.26329   0.00000  -0.00103   0.00062  -0.00041   1.26288
   D44       -1.92185   0.00000  -0.00597   0.00087  -0.00511  -1.92696
   D45        2.45912   0.00000  -0.00187   0.00069  -0.00118   2.45794
   D46       -0.72602  -0.00001  -0.00681   0.00093  -0.00588  -0.73190
   D47        2.94551   0.00000  -0.00226   0.00075  -0.00151   2.94400
   D48       -0.23963  -0.00001  -0.00721   0.00099  -0.00621  -0.24584
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   D85       -2.95034   0.00002   0.00195   0.00001   0.00194  -2.94840
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   D87        0.30696   0.00001   0.00073  -0.00010   0.00064   0.30759
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   D95        1.37097   0.00001   0.00004   0.00003   0.00006   1.37103
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   D97       -1.93960   0.00001  -0.00132  -0.00014  -0.00145  -1.94106
   D98       -2.44773   0.00001  -0.00145   0.00012  -0.00133  -2.44905
   D99       -2.67917   0.00001  -0.00091  -0.00012  -0.00103  -2.68020
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   D104       1.21067  -0.00001  -0.00010  -0.00024  -0.00034   1.21032
   D105       2.82686  -0.00002   0.00064  -0.00028   0.00037   2.82723
   D106       0.64081  -0.00002   0.00052  -0.00020   0.00033   0.64114
   D107       2.33233  -0.00001   0.00080  -0.00005   0.00076   2.33308
   D108       0.14628  -0.00001   0.00067   0.00003   0.00071   0.14699
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   D119      -2.73443   0.00001  -0.00008  -0.00004  -0.00011  -2.73454
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   D139       0.22038  -0.00001   0.00229  -0.00027   0.00202   0.22240
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   D149       2.63869   0.00000   0.00064  -0.00065  -0.00001   2.63868
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   D309      -2.68404  -0.00001   0.00001  -0.00126  -0.00126  -2.68530
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   D318       0.15049   0.00000  -0.00039  -0.00033  -0.00072   0.14977
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   D320       0.28408   0.00000   0.00014  -0.00036  -0.00022   0.28386
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   D324      -0.57951   0.00000  -0.00073   0.00056  -0.00017  -0.57968
   D325       1.48986   0.00000  -0.00060   0.00008  -0.00052   1.48935
   D326       0.03280   0.00001  -0.00103  -0.00054  -0.00158   0.03122
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   D329       2.53022   0.00001  -0.00063  -0.00085  -0.00149   2.52873
   D330       0.70570   0.00000  -0.00053  -0.00076  -0.00129   0.70441
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   D482      -2.40231  -0.00003   0.00065   0.00240   0.00306  -2.39925
   D483       2.79025   0.00004   0.00155   0.00195   0.00349   2.79373
   D484      -1.38647   0.00002   0.00119   0.00245   0.00364  -1.38284
   D485       0.70006  -0.00002   0.00133   0.00163   0.00296   0.70302
   D486       0.01430   0.00000  -0.00035   0.00111   0.00076   0.01506
   D487       2.10588  -0.00001  -0.00014   0.00109   0.00095   2.10683
   D488      -2.09181   0.00000  -0.00011   0.00100   0.00088  -2.09093
   D489      -3.08816  -0.00001  -0.00103   0.00188   0.00086  -3.08731
   D490      -0.99659  -0.00001  -0.00081   0.00186   0.00105  -0.99554
   D491       1.08891  -0.00001  -0.00079   0.00177   0.00098   1.08989
         Item               Value     Threshold  Converged?
 Maximum Force            0.000074     0.000450     YES
 RMS     Force            0.000013     0.000300     YES
 Maximum Displacement     0.015041     0.001800     NO 
 RMS     Displacement     0.001443     0.001200     NO 
 Predicted change in Energy=-8.667198D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 01:57:55 2016, MaxMem=  2952790016 cpu:        11.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.838874   -0.615209    1.689012
      2          6           0       -2.120881    1.086381   -1.341530
      3          8           0       -2.663505    0.099551   -1.868728
      4          7           0       -0.826294    1.148254   -0.927051
      5          1           0       -2.677966    2.021637   -1.132881
      6          6           0       -0.294900    2.323726   -0.235950
      7          1           0       -1.058716    3.113194   -0.207844
      8          1           0       -0.008114    2.052810    0.793069
      9          1           0        0.596584    2.696180   -0.766503
     10          6           0        0.095680    0.023131   -1.100111
     11          1           0        0.668851   -0.119883   -0.170640
     12          1           0       -0.476686   -0.887179   -1.321489
     13          1           0        0.800712    0.226194   -1.923102
     14          6           0       -1.980980   -4.035307    2.613359
     15          8           0       -2.114929   -3.893067    3.840827
     16          7           0       -2.917599   -3.729257    1.674778
     17          1           0       -1.042703   -4.418053    2.164944
     18          6           0       -4.225476   -3.180560    2.042100
     19          1           0       -4.495169   -2.391373    1.322420
     20          1           0       -4.999375   -3.965680    2.013483
     21          1           0       -4.172134   -2.754861    3.052549
     22          6           0       -2.657687   -3.902469    0.245277
     23          1           0       -3.358159   -4.637461   -0.184153
     24          1           0       -2.796058   -2.940499   -0.275553
     25          1           0       -1.625591   -4.249590    0.096976
     26          6           0        1.532215    0.378404    2.629162
     27          8           0        1.354940    1.390930    3.327574
     28          7           0        1.165079   -0.887731    2.967209
     29          1           0        2.010096    0.428338    1.630916
     30          6           0        1.480625   -2.031712    2.111184
     31          1           0        2.240669   -2.671970    2.589719
     32          1           0        0.573098   -2.634152    1.945413
     33          1           0        1.857862   -1.673476    1.143574
     34          6           0        0.527431   -1.174517    4.254927
     35          1           0        1.279287   -1.468844    5.006979
     36          1           0       -0.004745   -0.279702    4.602230
     37          1           0       -0.185361   -2.001570    4.123677
     38          6           0       -4.584657    1.258288    2.882144
     39          8           0       -4.820832    1.908122    1.849743
     40          7           0       -3.492677    1.407923    3.681123
     41          1           0       -5.259406    0.453399    3.238166
     42          6           0       -2.451148    2.395884    3.387307
     43          1           0       -2.535486    2.711189    2.339273
     44          1           0       -2.554178    3.273319    4.047285
     45          1           0       -1.463347    1.939944    3.556650
     46          6           0       -3.276131    0.553927    4.849004
     47          1           0       -4.093450   -0.176106    4.929573
     48          1           0       -2.319504    0.015777    4.743396
     49          1           0       -3.235640    1.163859    5.766411
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486993   0.000000
     3  O    3.721346   1.243467   0.000000
     4  N    3.313443   1.360726   2.315573   0.000000
     5  H    3.952229   1.108415   2.058177   2.057633   0.000000
     6  C    3.837535   2.467293   3.636373   1.463467   2.564127
     7  H    4.255314   2.553705   3.796831   2.105295   2.160824
     8  H    3.357488   3.155041   4.236920   2.108661   3.292167
     9  H    4.788142   3.210409   4.311098   2.108656   3.363319
    10  C    3.453865   2.470207   2.865260   1.464884   3.418803
    11  H    3.161066   3.257094   3.746499   2.101377   4.088178
    12  H    3.315515   2.568796   2.460749   2.102569   3.652727
    13  H    4.552224   3.100621   3.466958   2.118835   3.993654
    14  C    3.545656   6.472434   6.136122   6.382562   7.155883
    15  O    3.930758   7.186916   6.988630   7.057489   7.748451
    16  N    3.295625   5.737878   5.223100   5.910430   6.404151
    17  H    3.914335   6.614878   6.269470   6.371109   7.417502
    18  C    3.521585   5.838240   5.337926   6.253712   6.287936
    19  H    3.216373   4.982835   4.443323   5.572228   5.367065
    20  H    4.617327   6.713059   6.087196   7.225902   7.150979
    21  H    3.446947   6.186332   5.885796   6.501243   6.524208
    22  C    3.682513   5.262579   4.526060   5.498923   6.082332
    23  H    4.689934   5.969316   5.075393   6.358988   6.760645
    24  H    3.191033   4.219944   3.434775   4.585010   5.037038
    25  H    3.973511   5.548620   4.884289   5.551956   6.476752
    26  C    3.638047   5.441758   6.157340   4.336114   5.880374
    27  O    4.112168   5.828775   6.694559   4.787328   6.046303
    28  N    3.275941   5.767138   6.246525   4.824527   6.328045
    29  H    3.988350   5.131610   5.847919   3.886719   5.670547
    30  C    3.633701   5.883416   6.128279   4.966380   6.651877
    31  H    4.656631   6.971588   7.184011   6.030592   7.751172
    32  H    3.155864   5.648352   5.700562   4.951357   6.459232
    33  H    3.883721   5.442697   5.714924   4.410708   6.277726
    34  C    3.534988   6.591324   7.021715   5.837870   7.036934
    35  H    4.632551   7.641589   8.079655   6.818753   8.095752
    36  H    3.458819   6.455424   7.006150   5.769484   6.733035
    37  H    3.253259   6.568879   6.816511   5.986822   7.073236
    38  C    3.531697   4.892767   5.253977   5.352323   4.509833
    39  O    3.909618   4.260191   4.663906   4.923853   3.674344
    40  N    3.285823   5.216537   5.761962   5.330318   4.920877
    41  H    3.904080   5.587900   5.739710   6.122446   5.313121
    42  C    3.510807   4.917904   5.739699   4.776025   4.541321
    43  H    3.460207   4.044776   4.954222   4.004120   3.542829
    44  H    4.603668   5.831790   6.714459   5.678512   5.330680
    45  H    3.187146   5.015286   5.853388   4.597410   4.844963
    46  C    3.663077   6.319875   6.760894   6.302201   6.188289
    47  H    3.972047   6.694150   6.952527   6.835809   6.602046
    48  H    3.155695   6.181583   6.621596   5.972114   6.219533
    49  H    4.662748   7.195243   7.730164   7.113903   6.974741
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098847   0.000000
     8  H    1.102053   1.797221   0.000000
     9  H    1.102249   1.796112   1.792163   0.000000
    10  C    2.488386   3.417201   2.777499   2.739962   0.000000
    11  H    2.627605   3.665878   2.471359   2.879320   1.101315
    12  H    3.394312   4.193084   3.651637   3.781585   1.097851
    13  H    2.906285   3.838535   3.371693   2.734999   1.102551
    14  C    7.169290   7.740208   6.653633   7.961169   5.879906
    15  O    7.653831   8.160577   7.005780   8.485161   6.681038
    16  N    6.867899   7.336133   6.532597   7.719817   5.555203
    17  H    7.195490   7.896205   6.695109   7.867207   5.628554
    18  C    7.136953   7.396077   6.836255   8.104109   6.229728
    19  H    6.504071   6.667172   6.337558   7.494848   5.724892
    20  H    8.169985   8.400806   7.913553   9.133644   7.180854
    21  H    7.186043   7.399838   6.749668   8.187776   6.570849
    22  C    6.676814   7.209824   6.541075   7.426718   4.980104
    23  H    7.605548   8.084593   7.545694   8.352330   5.872742
    24  H    5.828330   6.298424   5.817880   6.597212   4.221984
    25  H    6.714913   7.390862   6.543777   7.343526   4.759405
    26  C    3.915545   4.715994   2.923609   4.216400   4.012148
    27  O    4.036185   4.614229   2.952917   4.363513   4.802188
    28  N    4.765000   5.570783   3.840580   5.206555   4.303066
    29  H    3.520042   4.472930   2.722879   3.590090   3.359716
    30  C    5.256555   6.188393   4.542807   5.604960   4.056214
    31  H    6.274592   7.223602   5.532498   6.540970   5.047712
    32  H    5.485647   6.350694   4.861411   5.980592   4.069926
    33  H    4.745008   5.765845   4.182097   4.932861   3.319320
    34  C    5.751688   6.388792   4.763078   6.340492   5.504290
    35  H    6.659577   7.325006   5.640611   7.151686   6.397145
    36  H    5.501819   5.979917   4.466580   6.167720   5.711260
    37  H    6.142193   6.759115   5.249988   6.825991   5.609489
    38  C    5.409222   5.041921   5.093157   6.498108   6.268135
    39  O    5.000690   4.454142   4.929478   6.067469   6.035472
    40  N    5.138864   4.894505   4.571533   6.177623   6.136298
    41  H    6.341445   6.049405   6.009383   7.440434   6.905268
    42  C    4.216942   3.921544   3.579970   5.160715   5.679191
    43  H    3.435422   2.971576   3.035097   4.410888   5.096867
    44  H    4.934791   4.513110   4.308364   5.782122   6.639364
    45  H    3.987025   3.963793   3.125351   4.848181   5.271637
    46  C    6.154404   6.085926   5.420073   7.149901   6.858777
    47  H    6.881916   6.813381   6.226452   7.917811   7.344767
    48  H    5.849746   5.974810   5.009702   6.785802   6.322954
    49  H    6.783920   6.650611   5.995105   7.727413   7.716740
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795955   0.000000
    13  H    1.791166   1.798134   0.000000
    14  C    5.486602   5.258957   6.817454   0.000000
    15  O    6.170755   6.194248   7.661080   1.242921   0.000000
    16  N    5.412558   4.797195   6.512770   1.360829   2.315789
    17  H    5.182532   4.994262   6.455952   1.108122   2.057636
    18  C    6.182103   5.534144   7.251990   2.468743   2.863126
    19  H    5.835752   5.039946   6.740284   3.269585   3.776639
    20  H    7.189530   6.407333   8.167590   3.078216   3.415332
    21  H    6.384919   6.023020   7.640221   2.575575   2.479715
    22  C    5.054385   4.037758   5.805881   2.466453   3.636297
    23  H    6.051901   4.864261   6.631387   3.175734   4.277874
    24  H    4.469058   3.269494   5.067457   3.195117   4.279709
    25  H    4.731867   3.825941   5.477253   2.550373   3.792490
    26  C    2.971966   4.609233   4.613173   5.641244   5.745890
    27  O    3.871793   5.491669   5.406790   6.409564   6.342243
    28  N    3.268323   4.592203   5.028790   4.464318   4.533619
    29  H    2.311945   4.078158   3.759590   6.067784   6.369778
    30  C    3.085578   4.113912   4.672888   4.031039   4.402762
    31  H    4.074720   5.085966   5.553232   4.436391   4.693355
    32  H    3.287613   3.850534   4.816513   2.988762   3.521782
    33  H    2.356811   3.484956   3.759097   4.740804   5.290069
    34  C    4.551692   5.673379   6.340719   4.143789   3.813667
    35  H    5.385172   6.593276   7.150399   4.790145   4.330990
    36  H    4.822817   5.973458   6.594289   4.686756   4.253118
    37  H    4.765668   5.565660   6.519111   3.105059   2.716798
    38  C    6.230425   6.256915   7.290940   5.905381   5.792675
    39  O    6.191234   6.061521   6.976031   6.631155   6.703739
    40  N    5.872699   6.276131   7.158003   5.749270   5.479433
    41  H    6.862423   6.742552   7.963375   5.593473   5.398398
    42  C    5.359335   6.070401   6.594133   6.494634   6.314240
    43  H    4.958065   5.530650   5.955943   6.774792   6.785847
    44  H    6.300209   7.102778   7.495717   7.469988   7.182802
    45  H    4.762547   5.723842   6.171757   6.071357   5.876167
    46  C    6.419793   6.927385   7.911351   5.266554   4.705376
    47  H    6.978170   7.256885   8.430529   4.972002   4.349219
    48  H    5.752949   6.402666   7.363573   4.589438   4.016907
    49  H    7.220916   7.877621   8.734985   6.208642   5.525971
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056681   0.000000
    18  C    1.465106   3.417093   0.000000
    19  H    2.098289   4.091063   1.101585   0.000000
    20  H    2.122359   3.985328   1.102794   1.791713   0.000000
    21  H    2.102749   3.653407   1.097757   1.797170   1.797239
    22  C    1.463226   2.561078   2.491523   2.611511   2.934970
    23  H    2.115314   3.305712   2.798393   2.933848   2.823912
    24  H    2.107298   3.348648   2.733566   2.396255   3.338456
    25  H    2.104636   2.155140   3.418440   3.631688   3.890504
    26  C    6.130626   5.463671   6.794252   6.760813   7.868405
    27  O    6.870418   6.390985   7.327483   7.249154   8.414121
    28  N    5.139349   4.240413   5.930512   6.083147   6.955851
    29  H    6.447457   5.752588   7.216340   7.096789   8.281693
    30  C    4.734605   3.473427   5.821014   6.038346   6.763149
    31  H    5.344409   3.742963   6.509192   6.859760   7.377261
    32  H    3.668441   2.416880   4.830550   5.112180   5.729752
    33  H    5.226227   4.121793   6.331323   6.395965   7.282352
    34  C    5.005207   4.165798   5.613460   5.941956   6.584850
    35  H    5.816089   4.708146   6.482507   6.911685   7.390319
    36  H    5.380903   4.913621   5.725714   5.948127   6.725651
    37  H    4.055506   3.226617   4.695264   5.154942   5.611183
    38  C    5.395592   6.729090   4.531892   3.969983   5.311911
    39  O    5.952558   7.375236   5.127000   4.343937   5.878796
    40  N    5.544975   6.499474   4.927227   4.582916   5.824670
    41  H    5.042107   6.531725   3.962983   3.513811   4.593008
    42  C    6.377122   7.064533   6.004544   5.599965   6.989303
    43  H    6.485901   7.285937   6.136536   5.559720   7.124428
    44  H    7.402495   8.061326   6.961792   6.578835   7.906861
    45  H    6.147856   6.522110   6.011886   5.739690   7.054166
    46  C    5.343212   6.075604   4.767216   4.753697   5.606835
    47  H    4.959959   5.911374   4.169133   4.252098   4.866739
    48  H    4.878464   5.285592   4.598510   4.714973   5.521425
    49  H    6.386328   6.995518   5.807257   5.828820   6.596014
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389886   0.000000
    23  H    3.831837   1.102399   0.000000
    24  H    3.606149   1.102632   1.789969   0.000000
    25  H    4.177859   1.098958   1.797573   1.795129   0.000000
    26  C    6.521978   6.447020   7.549132   6.179517   6.148336
    27  O    6.914606   7.322692   8.419444   6.998185   7.150930
    28  N    5.655024   5.577733   6.667177   5.515431   5.227636
    29  H    7.097447   6.516447   7.600984   6.171127   6.119984
    30  C    5.776053   4.909885   5.955865   4.981207   4.315622
    31  H    6.430018   5.568163   6.550145   5.800906   4.863190
    32  H    4.874171   3.864850   4.899294   4.046943   3.295541
    33  H    6.416731   5.115226   6.144505   5.027747   4.457149
    34  C    5.101873   5.802068   6.840703   5.889781   5.601797
    35  H    5.932253   6.640490   7.648130   6.832230   6.346574
    36  H    5.088718   6.256643   7.290056   6.218041   6.219684
    37  H    4.196322   4.976726   5.964224   5.201015   4.831374
    38  C    4.037892   6.107347   6.757686   5.549770   6.844702
    39  O    4.859111   6.404411   7.008623   5.667956   7.155360
    40  N    4.264451   6.379852   7.176707   5.920248   6.952666
    41  H    3.392572   5.890663   6.422138   5.471092   6.722335
    42  C    5.440959   7.041610   7.940147   6.481705   7.461243
    43  H    5.750225   6.938316   7.813266   6.232720   7.369413
    44  H    6.320304   8.121448   9.007324   7.573439   8.547594
    45  H    5.443606   6.820956   7.800396   6.346702   7.092672
    46  C    3.870161   6.437099   7.231176   6.221139   6.955561
    47  H    3.190515   6.155471   6.826019   6.034769   6.785101
    48  H    3.737330   5.974956   6.856542   5.844358   6.345399
    49  H    4.857822   7.515626   8.311409   7.317398   8.002510
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242745   0.000000
    28  N    1.360941   2.314780   0.000000
    29  H    1.107862   2.057780   2.057126   0.000000
    30  C    2.465689   3.634540   1.463230   2.561805   0.000000
    31  H    3.131812   4.223281   2.117287   3.253364   1.102993
    32  H    3.234642   4.327000   2.108198   3.397458   1.101826
    33  H    2.554061   3.796495   2.103091   2.162938   1.098595
    34  C    2.462573   2.850662   1.465285   3.413631   2.497798
    35  H    3.021641   3.317293   2.124005   3.940962   2.956854
    36  H    2.586184   2.502899   2.100353   3.659182   3.388388
    37  H    3.293618   3.809904   2.098034   4.115622   2.612766
    38  C    6.185008   5.957753   6.137760   6.763516   6.943063
    39  O    6.580938   6.371157   6.700497   6.992798   7.436330
    40  N    5.236035   4.860522   5.241602   5.953439   6.247361
    41  H    6.819284   6.681059   6.568566   7.445102   7.271443
    42  C    4.529039   3.936980   4.902623   5.182552   6.057304
    43  H    4.698096   4.225546   5.200068   5.135707   6.219026
    44  H    5.204826   4.398020   5.684521   5.896215   6.940567
    45  H    3.503146   2.880388   3.905357   4.249495   5.150767
    46  C    5.298934   4.945922   5.034270   6.189996   6.066952
    47  H    6.103071   5.891261   5.657686   6.964177   6.515896
    48  H    4.408766   4.170988   4.014160   5.348193   5.055861
    49  H    5.761225   5.203164   5.604541   6.720197   6.768715
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788115   0.000000
    33  H    1.798573   1.793450   0.000000
    34  C    2.819658   2.732485   3.420457   0.000000
    35  H    2.866168   3.351095   3.911844   1.103403   0.000000
    36  H    3.849031   3.596667   4.168239   1.097509   1.796279
    37  H    2.947557   2.391705   3.628143   1.099689   1.791428
    38  C    7.881467   6.529241   7.288616   5.825506   6.807203
    39  O    8.449238   7.052368   7.611274   6.625066   7.653986
    40  N    7.120952   5.990124   6.675511   4.812433   5.727593
    41  H    8.151046   6.724751   7.717929   6.096835   7.041181
    42  C    6.952154   6.043706   6.337318   4.729954   5.610313
    43  H    7.200888   6.196054   6.321115   5.305648   6.256343
    44  H    7.775701   7.006849   7.236603   5.415042   6.172891
    45  H    5.993701   5.259805   5.469020   3.761736   4.609266
    46  C    6.778338   5.780246   6.711887   4.219897   4.986822
    47  H    7.198981   6.060022   7.210688   4.775407   5.526614
    48  H    5.714673   4.818503   5.767381   3.124170   3.901906
    49  H    7.402359   6.597832   7.440756   4.681163   5.281328
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796236   0.000000
    38  C    5.128324   5.614435   0.000000
    39  O    5.963007   6.476423   1.242543   0.000000
    40  N    3.982736   4.770622   1.361316   2.316926   0.000000
    41  H    5.478099   5.705868   1.109002   2.058224   2.056371
    42  C    3.823570   5.001364   2.470056   2.866604   1.465325
    43  H    4.524495   5.560331   2.569968   2.471308   2.101256
    44  H    4.408121   5.782870   3.088811   3.439574   2.120037
    45  H    2.854398   4.182141   3.265301   3.766597   2.101599
    46  C    3.384937   4.075478   2.465138   3.635315   1.462925
    47  H    4.103095   4.388045   2.547693   3.789254   2.104449
    48  H    2.337807   3.001384   3.184182   4.267416   2.107802
    49  H    3.725301   4.692837   3.185555   4.290343   2.115198
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417866   0.000000
    43  H    3.650393   1.097681   0.000000
    44  H    3.990600   1.102759   1.798233   0.000000
    45  H    4.089171   1.101049   1.796192   1.791235   0.000000
    46  C    2.557007   2.491980   3.391325   2.925588   2.622482
    47  H    2.148625   3.419192   4.180117   3.878960   3.644178
    48  H    3.331705   2.742484   3.618246   3.339345   2.417393
    49  H    3.315480   2.791675   3.824882   2.805282   2.937069
                   46         47         48         49
    46  C    0.000000
    47  H    1.098840   0.000000
    48  H    1.102676   1.793981   0.000000
    49  H    1.102403   1.797677   1.789960   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143824      0.1932381      0.1844639
 Leave Link  202 at Mon Nov 14 01:57:55 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1884285172 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840467952 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.0043817220 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4028
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.41D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     211
 GePol: Fraction of low-weight points (<1% of avg)   =       5.24%
 GePol: Cavity surface area                          =    466.790 Ang**2
 GePol: Cavity volume                                =    457.866 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040168492 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.0003648729 Hartrees.
 Leave Link  301 at Mon Nov 14 01:57:55 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 01:57:57 2016, MaxMem=  2952790016 cpu:        14.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 01:57:57 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000589   -0.000454   -0.000556
         Rot=    1.000000    0.000042   -0.000034    0.000053 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 01:57:57 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48674352.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.44D-15 for   2152.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.78D-15 for   2323    134.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.55D-15 for   3072.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.43D-09 for   2430   2423.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.10D-14 for     90.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.48D-14 for   2449    175.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.11D-15 for     43.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.10D-16 for   2905    583.
 E= -1013.45126233498    
 DIIS: error= 1.09D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45126233498     IErMin= 1 ErrMin= 1.09D-04
 ErrMax= 1.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-05 BMatP= 1.20D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.09D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.06D-05 MaxDP=6.37D-04              OVMax= 9.26D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.06D-05    CP:  1.00D+00
 E= -1013.45128269237     Delta-E=       -0.000020357391 Rises=F Damp=F
 DIIS: error= 9.59D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128269237     IErMin= 2 ErrMin= 9.59D-06
 ErrMax= 9.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-07 BMatP= 1.20D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.133D-01 0.987D+00
 Coeff:      0.133D-01 0.987D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.60D-06 MaxDP=1.29D-04 DE=-2.04D-05 OVMax= 1.58D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.53D-06    CP:  1.00D+00  9.71D-01
 E= -1013.45128257391     Delta-E=        0.000000118464 Rises=F Damp=F
 DIIS: error= 1.37D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128269237     IErMin= 2 ErrMin= 9.59D-06
 ErrMax= 1.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-07 BMatP= 1.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.229D-02 0.623D+00 0.375D+00
 Coeff:      0.229D-02 0.623D+00 0.375D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.69D-06 MaxDP=1.30D-04 DE= 1.18D-07 OVMax= 1.39D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.00D+00  9.77D-01  5.11D-01
 E= -1013.45128276125     Delta-E=       -0.000000187336 Rises=F Damp=F
 DIIS: error= 7.21D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128276125     IErMin= 4 ErrMin= 7.21D-06
 ErrMax= 7.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.89D-08 BMatP= 1.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.794D-04 0.266D+00 0.283D+00 0.450D+00
 Coeff:      0.794D-04 0.266D+00 0.283D+00 0.450D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.71D-07 MaxDP=4.28D-05 DE=-1.87D-07 OVMax= 8.09D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.34D-07    CP:  1.00D+00  9.79D-01  5.60D-01  5.01D-01
 E= -1013.45128279761     Delta-E=       -0.000000036367 Rises=F Damp=F
 DIIS: error= 3.90D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128279761     IErMin= 5 ErrMin= 3.90D-06
 ErrMax= 3.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-09 BMatP= 4.89D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.324D-04 0.140D+00 0.171D+00 0.322D+00 0.367D+00
 Coeff:     -0.324D-04 0.140D+00 0.171D+00 0.322D+00 0.367D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.83D-07 MaxDP=1.46D-05 DE=-3.64D-08 OVMax= 2.31D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.00D-07    CP:  1.00D+00  9.80D-01  5.46D-01  5.44D-01  5.80D-01
 E= -1013.45128280237     Delta-E=       -0.000000004756 Rises=F Damp=F
 DIIS: error= 3.44D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128280237     IErMin= 6 ErrMin= 3.44D-07
 ErrMax= 3.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.98D-11 BMatP= 5.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.226D-04 0.484D-01 0.616D-01 0.120D+00 0.165D+00 0.605D+00
 Coeff:     -0.226D-04 0.484D-01 0.616D-01 0.120D+00 0.165D+00 0.605D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.17D-08 MaxDP=1.63D-06 DE=-4.76D-09 OVMax= 1.67D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.85D-08    CP:  1.00D+00  9.80D-01  5.49D-01  5.47D-01  5.79D-01
                    CP:  8.80D-01
 E= -1013.45128280245     Delta-E=       -0.000000000080 Rises=F Damp=F
 DIIS: error= 8.23D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45128280245     IErMin= 7 ErrMin= 8.23D-08
 ErrMax= 8.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-11 BMatP= 5.98D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-04 0.103D-01 0.140D-01 0.282D-01 0.482D-01 0.338D+00
 Coeff-Com:  0.561D+00
 Coeff:     -0.111D-04 0.103D-01 0.140D-01 0.282D-01 0.482D-01 0.338D+00
 Coeff:      0.561D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-08 MaxDP=4.70D-07 DE=-8.00D-11 OVMax= 4.56D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.04D-09    CP:  1.00D+00  9.80D-01  5.49D-01  5.46D-01  5.81D-01
                    CP:  8.84D-01  7.24D-01
 E= -1013.45128280245     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.09D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45128280245     IErMin= 8 ErrMin= 1.09D-08
 ErrMax= 1.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-13 BMatP= 1.08D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.400D-05 0.129D-02 0.196D-02 0.404D-02 0.880D-02 0.903D-01
 Coeff-Com:  0.204D+00 0.689D+00
 Coeff:     -0.400D-05 0.129D-02 0.196D-02 0.404D-02 0.880D-02 0.903D-01
 Coeff:      0.204D+00 0.689D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.35D-09 MaxDP=9.50D-08 DE=-1.36D-12 OVMax= 1.00D-07

 Error on total polarization charges =  0.04304
 SCF Done:  E(RB97D) =  -1013.45128280     A.U. after    8 cycles
            NFock=  8  Conv=0.24D-08     -V/T= 2.0213
 KE= 9.923493953154D+02 PE=-6.027502726731D+03 EE= 2.173701683740D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 01:59:39 2016, MaxMem=  2952790016 cpu:      1158.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 01:59:47 2016, MaxMem=  2952790016 cpu:        99.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 01:59:47 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:00:24 2016, MaxMem=  2952790016 cpu:       440.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.25053311D+00-2.69923457D+00 3.28423535D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000038335   -0.000091433   -0.000058662
      2        6           0.000060088    0.000053854    0.000046748
      3        8           0.000011401    0.000012727    0.000005528
      4        7           0.000088455    0.000074003    0.000047376
      5        1           0.000022603    0.000030434   -0.000038710
      6        6           0.000055904   -0.000072829   -0.000067894
      7        1          -0.000008300   -0.000004609    0.000051927
      8        1           0.000002562    0.000041213    0.000032994
      9        1           0.000013457    0.000100790    0.000087898
     10        6           0.000019662    0.000033394   -0.000008936
     11        1           0.000015378    0.000000410    0.000024733
     12        1           0.000010965    0.000022446    0.000025199
     13        1           0.000025241    0.000019099    0.000021329
     14        6           0.000015179   -0.000007061   -0.000048163
     15        8          -0.000015019    0.000004954   -0.000022549
     16        7           0.000004117    0.000022355   -0.000021204
     17        1          -0.000014601   -0.000033161   -0.000014367
     18        6           0.000017785   -0.000000003   -0.000016700
     19        1          -0.000003052    0.000008611   -0.000015043
     20        1          -0.000003600   -0.000001452   -0.000049663
     21        1          -0.000018815   -0.000016107   -0.000032793
     22        6           0.000004674    0.000021457   -0.000046401
     23        1           0.000001715    0.000018527   -0.000031408
     24        1          -0.000007311    0.000009004   -0.000005703
     25        1           0.000010759    0.000004743   -0.000028277
     26        6          -0.000000299   -0.000045357   -0.000010209
     27        8          -0.000050014   -0.000014566    0.000056626
     28        7           0.000013194    0.000045367    0.000013743
     29        1           0.000034185   -0.000004109    0.000047161
     30        6          -0.000000375    0.000008856   -0.000041378
     31        1          -0.000032844   -0.000011954    0.000053788
     32        1           0.000007856    0.000010382    0.000019024
     33        1           0.000037680   -0.000008002    0.000025684
     34        6          -0.000008797   -0.000045893    0.000003260
     35        1          -0.000022296   -0.000026853    0.000010230
     36        1          -0.000002489   -0.000012313    0.000030884
     37        1          -0.000029892    0.000001171   -0.000013797
     38        6          -0.000000864   -0.000042205    0.000025526
     39        8          -0.000001969    0.000008993   -0.000033444
     40        7           0.000011669    0.000059923   -0.000066715
     41        1          -0.000012298    0.000008458   -0.000014431
     42        6          -0.000271335   -0.000128922    0.000015260
     43        1           0.000002674    0.000014956    0.000032664
     44        1           0.000133162    0.000054646   -0.000022976
     45        1          -0.000003914   -0.000005419    0.000040559
     46        6          -0.000007107   -0.000019990    0.000055695
     47        1          -0.000019169   -0.000032541   -0.000037733
     48        1          -0.000022200   -0.000041877   -0.000009573
     49        1          -0.000025471   -0.000024119   -0.000017112
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000271335 RMS     0.000042380
 Leave Link  716 at Mon Nov 14 02:00:24 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000042929 RMS     0.000007617
 Search for a local minimum.
 Step number  39 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .76169D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
 DE= -1.75D-06 DEPred=-8.67D-07 R= 2.02D+00
 TightC=F SS=  1.41D+00  RLast= 4.83D-02 DXNew= 2.2445D+00 1.4480D-01
 Trust test= 2.02D+00 RLast= 4.83D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00025   0.00060   0.00084   0.00114   0.00178
     Eigenvalues ---    0.00260   0.00341   0.00375   0.00436   0.00534
     Eigenvalues ---    0.00588   0.00672   0.00733   0.00778   0.00814
     Eigenvalues ---    0.00845   0.00952   0.01009   0.01040   0.01072
     Eigenvalues ---    0.01187   0.01226   0.01263   0.01329   0.01403
     Eigenvalues ---    0.01436   0.01553   0.01637   0.01657   0.01715
     Eigenvalues ---    0.01779   0.01833   0.01868   0.01905   0.01956
     Eigenvalues ---    0.01993   0.02132   0.02193   0.02260   0.02388
     Eigenvalues ---    0.02483   0.02671   0.02736   0.03081   0.03162
     Eigenvalues ---    0.03810   0.04174   0.04366   0.04569   0.04806
     Eigenvalues ---    0.05280   0.05459   0.05932   0.06102   0.06238
     Eigenvalues ---    0.06425   0.06576   0.06752   0.06947   0.07104
     Eigenvalues ---    0.07307   0.07723   0.07896   0.08036   0.08085
     Eigenvalues ---    0.08200   0.08292   0.08371   0.08559   0.08661
     Eigenvalues ---    0.08758   0.08903   0.09062   0.09322   0.09570
     Eigenvalues ---    0.09652   0.09882   0.09975   0.10086   0.10318
     Eigenvalues ---    0.10433   0.10549   0.10586   0.10656   0.11154
     Eigenvalues ---    0.11249   0.11370   0.11464   0.12058   0.13193
     Eigenvalues ---    0.13460   0.13866   0.14573   0.15168   0.15316
     Eigenvalues ---    0.15579   0.16112   0.21879   0.23105   0.23267
     Eigenvalues ---    0.23751   0.24508   0.24801   0.25754   0.26474
     Eigenvalues ---    0.27020   0.27784   0.28583   0.29274   0.29679
     Eigenvalues ---    0.29855   0.30094   0.32718   0.32737   0.32821
     Eigenvalues ---    0.32827   0.33301   0.33348   0.33375   0.33383
     Eigenvalues ---    0.33415   0.33425   0.33459   0.33491   0.33690
     Eigenvalues ---    0.33793   0.33824   0.33837   0.33917   0.33933
     Eigenvalues ---    0.33989   0.34014   0.34142   0.37295   0.39352
     Eigenvalues ---    0.40542   0.41378   0.85944   0.85974   0.86064
     Eigenvalues ---    0.87163
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    39   38   37   36   35
 RFO step:  Lambda=-2.78146741D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  7.51D-06 SmlDif=  1.00D-05
 RMS Error=  0.6194943566D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.64610   -0.07623   -1.22372    0.75786   -0.10401
 Iteration  1 RMS(Cart)=  0.00200018 RMS(Int)=  0.00003612
 Iteration  2 RMS(Cart)=  0.00002555 RMS(Int)=  0.00000440
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000440
 ITry= 1 IFail=0 DXMaxC= 1.73D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58946  -0.00001  -0.00011   0.00059   0.00047   6.58993
    R2        6.26150   0.00001   0.00260   0.00102   0.00362   6.26512
    R3        7.25189   0.00002   0.00645   0.00237   0.00883   7.26072
    R4        6.34473   0.00003   0.00822   0.00449   0.01270   6.35743
    R5        6.52686   0.00000  -0.00189   0.00150  -0.00040   6.52646
    R6        5.97355   0.00000  -0.00169   0.00168  -0.00001   5.97354
    R7        6.70032   0.00001  -0.00031   0.00001  -0.00030   6.70002
    R8        6.22783   0.00000   0.00018  -0.00026  -0.00008   6.22775
    R9        6.65483  -0.00001   0.00100   0.00045   0.00145   6.65628
   R10        6.07806   0.00000  -0.00022  -0.00062  -0.00084   6.07722
   R11        6.95894   0.00001  -0.00027  -0.00045  -0.00072   6.95822
   R12        6.03018   0.00000   0.00005  -0.00071  -0.00066   6.02952
   R13        6.87491   0.00002  -0.00072  -0.00088  -0.00160   6.87331
   R14        6.19063   0.00001  -0.00017   0.00040   0.00024   6.19087
   R15        6.86670   0.00002  -0.00043   0.00115   0.00072   6.86741
   R16        5.96372   0.00000   0.00003   0.00098   0.00101   5.96473
   R17        6.68016  -0.00002   0.00015   0.00075   0.00090   6.68106
   R18        6.67394   0.00000  -0.00093   0.00156   0.00062   6.67456
   R19        6.20931   0.00000   0.00105  -0.00093   0.00012   6.20943
   R20        6.63446   0.00000  -0.00004  -0.00215  -0.00219   6.63228
   R21        6.02283   0.00000   0.00602  -0.00027   0.00574   6.02858
   R22        6.92221  -0.00001   0.00133  -0.00042   0.00091   6.92312
   R23        5.96340  -0.00001   0.00007  -0.00073  -0.00066   5.96274
   R24        2.34981   0.00001   0.00009   0.00003   0.00012   2.34993
   R25        2.57140   0.00001  -0.00006  -0.00001  -0.00007   2.57133
   R26        2.09460   0.00000   0.00000   0.00001   0.00000   2.09460
   R27        2.76555  -0.00003  -0.00001  -0.00019  -0.00018   2.76537
   R28        2.76823  -0.00001   0.00003  -0.00003   0.00000   2.76823
   R29        2.07652   0.00001  -0.00001   0.00003   0.00002   2.07654
   R30        2.08258   0.00000  -0.00005  -0.00004  -0.00009   2.08249
   R31        2.08295   0.00000  -0.00001   0.00002   0.00000   2.08295
   R32        2.08118   0.00000   0.00002   0.00003   0.00004   2.08122
   R33        2.07464   0.00000  -0.00001   0.00001   0.00000   2.07464
   R34        2.08352   0.00000   0.00000  -0.00001  -0.00001   2.08351
   R35        2.34878   0.00001   0.00003  -0.00002   0.00001   2.34879
   R36        2.57159   0.00000   0.00005   0.00000   0.00005   2.57165
   R37        2.09405   0.00000   0.00001   0.00000   0.00001   2.09406
   R38        2.76865  -0.00001  -0.00001  -0.00005  -0.00006   2.76859
   R39        2.76510   0.00000   0.00003   0.00000   0.00003   2.76513
   R40        2.08169   0.00000   0.00001   0.00002   0.00003   2.08172
   R41        2.08398   0.00000   0.00001   0.00001   0.00002   2.08400
   R42        2.07446   0.00000  -0.00005   0.00000  -0.00005   2.07442
   R43        2.08323   0.00000   0.00000   0.00001   0.00001   2.08324
   R44        2.08367   0.00000  -0.00001  -0.00004  -0.00008   2.08359
   R45        2.07673   0.00000   0.00000   0.00000   0.00000   2.07672
   R46        2.34845   0.00002   0.00001   0.00001   0.00002   2.34847
   R47        2.57181  -0.00004   0.00011  -0.00016  -0.00005   2.57175
   R48        2.09356   0.00000  -0.00001   0.00001   0.00000   2.09356
   R49        2.76510   0.00000   0.00008  -0.00002   0.00006   2.76517
   R50        2.76899   0.00000   0.00002  -0.00003  -0.00001   2.76897
   R51        2.08435   0.00000  -0.00001   0.00002   0.00001   2.08436
   R52        2.08215   0.00000   0.00002  -0.00001   0.00002   2.08217
   R53        2.07604   0.00000  -0.00003   0.00001  -0.00002   2.07602
   R54        2.08513   0.00000  -0.00002   0.00001  -0.00001   2.08512
   R55        2.07399   0.00000   0.00001   0.00002   0.00003   2.07402
   R56        2.07811   0.00000   0.00002  -0.00002   0.00000   2.07811
   R57        2.34807   0.00002   0.00001   0.00006   0.00007   2.34814
   R58        2.57251  -0.00001  -0.00007  -0.00001  -0.00008   2.57243
   R59        2.09571  -0.00001   0.00005  -0.00005   0.00000   2.09571
   R60        2.76906  -0.00004  -0.00003  -0.00015  -0.00018   2.76888
   R61        2.76453   0.00004  -0.00009   0.00024   0.00015   2.76468
   R62        2.07432  -0.00001   0.00008  -0.00008   0.00000   2.07432
   R63        2.08391   0.00002  -0.00003   0.00009   0.00006   2.08397
   R64        2.08068   0.00002  -0.00022   0.00011  -0.00010   2.08058
   R65        2.07651   0.00000  -0.00005   0.00003  -0.00002   2.07649
   R66        2.08376   0.00000  -0.00004   0.00006   0.00002   2.08377
   R67        2.08324  -0.00001   0.00000  -0.00006  -0.00006   2.08318
    A1        0.68070  -0.00001  -0.00045  -0.00023  -0.00068   0.68002
    A2        0.95747  -0.00001  -0.00065  -0.00021  -0.00085   0.95662
    A3        0.72768   0.00000   0.00012  -0.00017  -0.00005   0.72763
    A4        1.01973   0.00000   0.00000  -0.00021  -0.00020   1.01952
    A5        2.33787   0.00001   0.00085   0.00027   0.00112   2.33899
    A6        2.01625   0.00001   0.00095   0.00037   0.00132   2.01758
    A7        1.96905   0.00001   0.00097   0.00047   0.00144   1.97049
    A8        1.67461   0.00001   0.00110   0.00060   0.00169   1.67630
    A9        1.64776   0.00001   0.00087   0.00028   0.00114   1.64890
   A10        1.36563   0.00001   0.00090   0.00030   0.00120   1.36683
   A11        1.73783   0.00000  -0.00041  -0.00025  -0.00066   1.73717
   A12        2.04188  -0.00001  -0.00022  -0.00021  -0.00044   2.04145
   A13        1.94452   0.00000   0.00006  -0.00012  -0.00006   1.94446
   A14        2.03153   0.00000   0.00031  -0.00003   0.00028   2.03181
   A15        2.43749  -0.00001  -0.00032  -0.00024  -0.00056   2.43693
   A16        1.54266   0.00000   0.00024   0.00017   0.00042   1.54308
   A17        1.75763  -0.00001  -0.00033  -0.00009  -0.00043   1.75720
   A18        1.55858  -0.00001  -0.00102  -0.00034  -0.00136   1.55722
   A19        1.69874  -0.00001  -0.00060  -0.00002  -0.00062   1.69812
   A20        2.16791   0.00000  -0.00043  -0.00003  -0.00046   2.16745
   A21        2.39103   0.00000  -0.00058  -0.00006  -0.00064   2.39039
   A22        0.64309  -0.00001  -0.00066  -0.00032  -0.00098   0.64211
   A23        0.65948   0.00000  -0.00014  -0.00013  -0.00027   0.65921
   A24        2.39124   0.00000   0.00041   0.00022   0.00063   2.39187
   A25        2.21368   0.00001   0.00073   0.00040   0.00113   2.21481
   A26        2.31036   0.00001   0.00086   0.00049   0.00134   2.31170
   A27        2.04463   0.00001   0.00105   0.00063   0.00167   2.04630
   A28        1.80648   0.00001   0.00069   0.00036   0.00105   1.80752
   A29        1.56421   0.00001   0.00083   0.00040   0.00123   1.56544
   A30        1.34437   0.00000  -0.00026  -0.00020  -0.00046   1.34391
   A31        1.64296  -0.00001  -0.00023  -0.00017  -0.00040   1.64256
   A32        1.59082   0.00000  -0.00021  -0.00011  -0.00032   1.59050
   A33        1.74271   0.00000  -0.00011  -0.00007  -0.00018   1.74252
   A34        2.04062  -0.00001  -0.00021  -0.00019  -0.00040   2.04022
   A35        1.79466   0.00000   0.00108   0.00029   0.00138   1.79603
   A36        1.88052  -0.00001   0.00059   0.00007   0.00066   1.88117
   A37        1.54955  -0.00001   0.00015  -0.00013   0.00002   1.54957
   A38        1.57077  -0.00001   0.00052   0.00016   0.00068   1.57144
   A39        2.25381   0.00000   0.00018   0.00003   0.00021   2.25402
   A40        2.35225   0.00000   0.00012   0.00000   0.00011   2.35236
   A41        0.68887   0.00000  -0.00044  -0.00017  -0.00062   0.68825
   A42        0.74619   0.00000  -0.00071  -0.00007  -0.00077   0.74542
   A43        2.65861   0.00000  -0.00029   0.00007  -0.00023   2.65838
   A44        2.59283   0.00000   0.00019   0.00021   0.00040   2.59323
   A45        2.64844   0.00000   0.00056   0.00023   0.00078   2.64922
   A46        2.34342   0.00000   0.00071   0.00030   0.00101   2.34443
   A47        2.18516   0.00000   0.00018   0.00019   0.00036   2.18552
   A48        1.94973   0.00001   0.00035   0.00020   0.00055   1.95028
   A49        1.10140   0.00000  -0.00046  -0.00007  -0.00053   1.10087
   A50        1.46107   0.00000  -0.00051  -0.00005  -0.00056   1.46051
   A51        1.56007   0.00000  -0.00071  -0.00010  -0.00082   1.55926
   A52        1.79589   0.00000  -0.00071  -0.00014  -0.00085   1.79504
   A53        1.78846   0.00000  -0.00026  -0.00001  -0.00027   1.78819
   A54        1.64687   0.00000   0.00211   0.00048   0.00258   1.64946
   A55        1.60588  -0.00001   0.00153   0.00031   0.00184   1.60772
   A56        1.21960   0.00000   0.00114   0.00013   0.00127   1.22087
   A57        1.19454   0.00000   0.00122   0.00038   0.00161   1.19615
   A58        1.92426   0.00000   0.00087   0.00023   0.00110   1.92536
   A59        1.97540   0.00000   0.00070   0.00020   0.00091   1.97631
   A60        0.83958   0.00000  -0.00071  -0.00046  -0.00117   0.83842
   A61        0.77548   0.00000  -0.00106  -0.00042  -0.00147   0.77401
   A62        2.60202   0.00000  -0.00052  -0.00032  -0.00085   2.60117
   A63        2.76032   0.00000  -0.00024  -0.00013  -0.00037   2.75995
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   A65        2.38326   0.00001  -0.00012  -0.00006  -0.00018   2.38308
   A66        2.18748   0.00001   0.00012   0.00003   0.00016   2.18763
   A67        0.85881   0.00001  -0.00057  -0.00030  -0.00087   0.85794
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   A69        1.41279   0.00000  -0.00093  -0.00046  -0.00140   1.41139
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   A77        1.75426   0.00000   0.00108   0.00046   0.00154   1.75581
   A78        1.99462   0.00000   0.00023   0.00025   0.00048   1.99510
   A79        1.93316   0.00000   0.00055   0.00040   0.00094   1.93410
   A80        2.20830   0.00000   0.00068   0.00045   0.00113   2.20943
   A81        2.06303   0.00000   0.00103   0.00067   0.00169   2.06472
   A82        1.54372   0.00001   0.00059   0.00040   0.00099   1.54471
   A83        1.37508   0.00001   0.00082   0.00044   0.00126   1.37634
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   A101       0.89455   0.00000   0.00010   0.00010   0.00019   0.89474
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   A122       1.99949   0.00001  -0.00113  -0.00032  -0.00145   1.99804
   A123       2.33810   0.00000  -0.00041  -0.00005  -0.00046   2.33763
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   A127       0.65571   0.00000   0.00003   0.00006   0.00009   0.65580
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   A291       1.89173  -0.00001   0.00008  -0.00005   0.00003   1.89176
   A292       1.91218   0.00000  -0.00007   0.00010   0.00003   1.91221
   A293       1.90563   0.00001   0.00003   0.00015   0.00019   1.90581
   A294       1.34499   0.00001   0.00083   0.00080   0.00163   1.34662
   A295       1.15762  -0.00002  -0.00045  -0.00063  -0.00108   1.15653
   A296       1.93335  -0.00001  -0.00016  -0.00003  -0.00020   1.93315
   A297       1.90661   0.00000   0.00001   0.00003   0.00004   1.90665
   A298       1.90115   0.00000   0.00016  -0.00004   0.00012   1.90127
   A299       1.90944  -0.00001   0.00003   0.00004   0.00006   1.90950
   A300       1.89906   0.00001  -0.00007  -0.00002  -0.00009   1.89897
   A301       1.91416   0.00000   0.00004   0.00002   0.00006   1.91422
   A302       1.71582   0.00000  -0.00061   0.00014  -0.00047   1.71534
   A303       1.76856   0.00001   0.00001   0.00074   0.00075   1.76931
   A304       2.19277  -0.00001  -0.00009  -0.00005  -0.00014   2.19262
   A305       2.13018   0.00000  -0.00004   0.00007   0.00002   2.13020
   A306       1.95996   0.00001   0.00014  -0.00002   0.00012   1.96008
   A307       2.12537   0.00001  -0.00024   0.00017  -0.00007   2.12530
   A308       2.12130  -0.00001   0.00023  -0.00011   0.00012   2.12142
   A309       2.03582   0.00000  -0.00004  -0.00003  -0.00006   2.03576
   A310       1.36730   0.00002  -0.00365  -0.00112  -0.00476   1.36254
   A311       2.98793  -0.00001   0.00453   0.00080   0.00532   2.99326
   A312       1.90763   0.00001   0.00014   0.00031   0.00045   1.90808
   A313       1.92842   0.00000   0.00050   0.00012   0.00062   1.92904
   A314       1.90460   0.00000  -0.00011  -0.00020  -0.00032   1.90429
   A315       1.91312   0.00000  -0.00079   0.00015  -0.00064   1.91248
   A316       1.91211   0.00001  -0.00003   0.00017   0.00014   1.91225
   A317       1.89785  -0.00001   0.00030  -0.00056  -0.00026   1.89760
   A318       1.71434  -0.00001   0.00205   0.00004   0.00209   1.71643
   A319       1.91375   0.00000   0.00011  -0.00019  -0.00009   1.91366
   A320       1.91437   0.00001   0.00036  -0.00007   0.00030   1.91467
   A321       1.92496  -0.00001  -0.00025   0.00007  -0.00017   1.92479
   A322       1.90506  -0.00001   0.00015  -0.00022  -0.00007   1.90499
   A323       1.91121   0.00001  -0.00025   0.00028   0.00003   1.91124
   A324       1.89427   0.00000  -0.00012   0.00012   0.00000   1.89427
   A325       2.92652   0.00000   0.00033   0.00026   0.00059   2.92711
   A326       3.34650   0.00000   0.00027   0.00026   0.00052   3.34702
   A327       3.06437   0.00000   0.00030   0.00028   0.00058   3.06495
   A328       3.19749  -0.00001  -0.00172  -0.00010  -0.00183   3.19566
   A329       3.25718   0.00000   0.00108   0.00096   0.00204   3.25922
   A330       3.25443   0.00001   0.00086   0.00083   0.00169   3.25612
   A331       3.62555   0.00000   0.00180   0.00032   0.00212   3.62767
   A332       3.21060   0.00000  -0.00053  -0.00026  -0.00080   3.20981
   A333       3.01848   0.00000  -0.00261  -0.00077  -0.00338   3.01510
   A334       2.95580  -0.00001  -0.00290  -0.00086  -0.00376   2.95203
   A335       3.22903   0.00000   0.00099  -0.00014   0.00085   3.22988
   A336       3.08043   0.00000  -0.00018  -0.00013  -0.00031   3.08012
   A337       3.10600  -0.00001  -0.00013  -0.00029  -0.00042   3.10558
   A338       3.03710   0.00000  -0.00021   0.00004  -0.00016   3.03694
    D1        2.75790   0.00000   0.00041  -0.00002   0.00039   2.75829
    D2       -1.36160   0.00000  -0.00007  -0.00011  -0.00018  -1.36178
    D3        2.78068   0.00000   0.00046  -0.00048  -0.00002   2.78066
    D4       -1.33882   0.00000  -0.00002  -0.00057  -0.00060  -1.33941
    D5        1.66271   0.00000   0.00099  -0.00001   0.00097   1.66368
    D6       -2.45678  -0.00001   0.00050  -0.00010   0.00040  -2.45638
    D7        1.84390   0.00000   0.00162  -0.00010   0.00152   1.84542
    D8       -2.27560  -0.00001   0.00113  -0.00019   0.00095  -2.27465
    D9        0.31727   0.00001   0.00155   0.00009   0.00164   0.31891
   D10        2.48096   0.00000   0.00107   0.00000   0.00107   2.48203
   D11        0.03733   0.00000   0.00114  -0.00015   0.00098   0.03832
   D12        2.20102   0.00000   0.00065  -0.00024   0.00041   2.20143
   D13       -0.42993   0.00000   0.00100  -0.00022   0.00078  -0.42915
   D14        1.73377   0.00000   0.00051  -0.00030   0.00020   1.73397
   D15       -0.54835   0.00000   0.00082  -0.00045   0.00037  -0.54797
   D16        1.61534   0.00000   0.00034  -0.00054  -0.00020   1.61514
   D17        0.21966   0.00000   0.00106  -0.00027   0.00078   0.22045
   D18        2.38335   0.00000   0.00057  -0.00036   0.00021   2.38357
   D19        0.15699   0.00000   0.00077  -0.00037   0.00040   0.15739
   D20        2.32068  -0.00001   0.00028  -0.00045  -0.00017   2.32050
   D21        2.40135   0.00000   0.00238   0.00016   0.00254   2.40389
   D22       -1.71815   0.00000   0.00189   0.00008   0.00197  -1.71618
   D23        2.15591   0.00000   0.00254   0.00016   0.00270   2.15861
   D24       -1.96359   0.00000   0.00206   0.00007   0.00213  -1.96146
   D25        1.71364   0.00001   0.00244   0.00026   0.00270   1.71634
   D26       -2.40586   0.00000   0.00195   0.00018   0.00213  -2.40373
   D27        1.40583   0.00001   0.00244   0.00037   0.00282   1.40865
   D28       -2.71367   0.00001   0.00196   0.00029   0.00225  -2.71142
   D29        2.36504   0.00000   0.00279   0.00002   0.00281   2.36785
   D30       -1.75445   0.00000   0.00230  -0.00007   0.00224  -1.75221
   D31       -1.79829   0.00000   0.00358   0.00058   0.00416  -1.79413
   D32        0.36540   0.00000   0.00310   0.00049   0.00359   0.36899
   D33       -2.13213   0.00000   0.00316   0.00051   0.00368  -2.12845
   D34        0.03156   0.00000   0.00268   0.00043   0.00311   0.03467
   D35       -2.51497   0.00001   0.00356   0.00052   0.00409  -2.51088
   D36       -0.35128   0.00000   0.00307   0.00044   0.00351  -0.34776
   D37       -2.79881   0.00000   0.00367   0.00050   0.00417  -2.79465
   D38       -0.63512   0.00000   0.00318   0.00041   0.00359  -0.63153
   D39       -2.12984   0.00000   0.00220   0.00023   0.00242  -2.12742
   D40        0.03385  -0.00001   0.00171   0.00014   0.00185   0.03570
   D41       -2.37356   0.00000   0.00236   0.00017   0.00252  -2.37104
   D42       -0.20987  -0.00001   0.00188   0.00008   0.00195  -0.20792
   D43        1.26288   0.00000  -0.00018   0.00056   0.00038   1.26326
   D44       -1.92696   0.00000   0.00160   0.00098   0.00258  -1.92438
   D45        2.45794   0.00000   0.00077   0.00059   0.00136   2.45930
   D46       -0.73190  -0.00001   0.00255   0.00101   0.00357  -0.72833
   D47        2.94400   0.00000   0.00133   0.00052   0.00185   2.94585
   D48       -0.24584  -0.00001   0.00311   0.00094   0.00406  -0.24178
   D49        2.85350   0.00000   0.00143   0.00070   0.00212   2.85563
   D50       -0.33633   0.00000   0.00321   0.00113   0.00433  -0.33201
   D51        2.04818   0.00000   0.00129   0.00044   0.00173   2.04992
   D52       -1.14165   0.00000   0.00307   0.00087   0.00393  -1.13772
   D53        1.17277  -0.00001   0.00090   0.00015   0.00106   1.17383
   D54       -2.01706  -0.00001   0.00268   0.00058   0.00326  -2.01380
   D55        1.03320  -0.00001   0.00026  -0.00010   0.00016   1.03336
   D56       -2.15664  -0.00001   0.00204   0.00033   0.00237  -2.15427
   D57        2.02759   0.00000   0.00077   0.00032   0.00109   2.02868
   D58       -1.16224  -0.00001   0.00255   0.00074   0.00329  -1.15895
   D59        1.83617   0.00000   0.00042   0.00028   0.00069   1.83687
   D60       -1.35366  -0.00001   0.00219   0.00070   0.00289  -1.35077
   D61       -2.27493  -0.00001   0.00190   0.00073   0.00263  -2.27229
   D62        0.81842  -0.00001   0.00368   0.00116   0.00484   0.82326
   D63       -2.41117   0.00000   0.00155   0.00065   0.00220  -2.40898
   D64        0.68218  -0.00001   0.00332   0.00107   0.00440   0.68657
   D65       -2.81426   0.00000   0.00144   0.00072   0.00216  -2.81210
   D66        0.27909   0.00000   0.00322   0.00114   0.00436   0.28345
   D67       -2.99168   0.00000   0.00138   0.00078   0.00216  -2.98953
   D68        0.10167   0.00000   0.00316   0.00120   0.00436   0.10602
   D69       -2.13533   0.00000   0.00124   0.00051   0.00175  -2.13358
   D70        0.95802  -0.00001   0.00302   0.00094   0.00395   0.96197
   D71       -0.16852   0.00000   0.00219   0.00094   0.00313  -0.16539
   D72        2.92483   0.00000   0.00396   0.00136   0.00533   2.93016
   D73       -0.56265   0.00000   0.00217   0.00104   0.00321  -0.55945
   D74        2.53070   0.00000   0.00394   0.00146   0.00541   2.53610
   D75       -0.75435   0.00000   0.00305   0.00117   0.00422  -0.75013
   D76        2.33900   0.00000   0.00483   0.00159   0.00642   2.34542
   D77       -1.09154   0.00000   0.00309   0.00099   0.00408  -1.08746
   D78        2.00181   0.00000   0.00487   0.00142   0.00629   2.00809
   D79       -0.82768   0.00000   0.00144   0.00082   0.00227  -0.82541
   D80        2.26567  -0.00001   0.00322   0.00125   0.00447   2.27014
   D81       -1.13401   0.00000   0.00147   0.00078   0.00225  -1.13176
   D82        1.95934  -0.00001   0.00325   0.00120   0.00445   1.96379
   D83       -1.53367  -0.00001  -0.00032   0.00000  -0.00032  -1.53398
   D84       -2.60989   0.00000   0.00025   0.00016   0.00041  -2.60947
   D85       -2.94840   0.00000   0.00014  -0.00023  -0.00010  -2.94850
   D86        0.72931   0.00000   0.00070   0.00021   0.00091   0.73022
   D87        0.30759   0.00000   0.00055   0.00013   0.00068   0.30827
   D88       -0.06903   0.00000   0.00064   0.00013   0.00077  -0.06825
   D89       -0.40211   0.00000   0.00035  -0.00006   0.00028  -0.40183
   D90        0.18370   0.00000   0.00031   0.00000   0.00030   0.18400
   D91       -0.05268   0.00000   0.00012  -0.00002   0.00011  -0.05257
   D92        2.40007   0.00000   0.00122   0.00025   0.00146   2.40153
   D93        2.05146   0.00000   0.00110   0.00021   0.00131   2.05277
   D94        1.65845   0.00000   0.00112   0.00028   0.00140   1.65985
   D95        1.37103   0.00001   0.00106   0.00036   0.00142   1.37245
   D96        2.05334   0.00000   0.00090   0.00015   0.00105   2.05438
   D97       -1.94106   0.00000   0.00273   0.00072   0.00345  -1.93761
   D98       -2.44905   0.00000   0.00223   0.00077   0.00301  -2.44604
   D99       -2.68020   0.00001   0.00246   0.00073   0.00320  -2.67700
   D100      -3.00180   0.00000   0.00211   0.00045   0.00257  -2.99923
   D101      -2.87462   0.00000   0.00135   0.00057   0.00193  -2.87269
   D102       2.87333   0.00000   0.00109   0.00043   0.00153   2.87486
   D103      -2.88677   0.00000  -0.00084  -0.00047  -0.00131  -2.88807
   D104       1.21032   0.00000  -0.00064  -0.00064  -0.00127   1.20905
   D105       2.82723  -0.00001  -0.00125  -0.00055  -0.00180   2.82543
   D106       0.64114  -0.00001  -0.00104  -0.00072  -0.00177   0.63937
   D107       2.33308   0.00000  -0.00127  -0.00041  -0.00167   2.33142
   D108       0.14699   0.00000  -0.00106  -0.00058  -0.00163   0.14536
   D109       1.77197   0.00000  -0.00033  -0.00012  -0.00046   1.77151
   D110      -0.41413   0.00000  -0.00013  -0.00029  -0.00042  -0.41455
   D111       2.60514   0.00000  -0.00095  -0.00036  -0.00131   2.60383
   D112       0.41905   0.00000  -0.00074  -0.00053  -0.00127   0.41777
   D113       2.26790   0.00000  -0.00116  -0.00027  -0.00143   2.26647
   D114       0.08180   0.00000  -0.00095  -0.00044  -0.00140   0.08041
   D115      -1.61061   0.00001  -0.00015   0.00006  -0.00009  -1.61070
   D116       2.48648   0.00000   0.00005  -0.00011  -0.00005   2.48642
   D117      -1.77340   0.00000   0.00017   0.00032   0.00050  -1.77290
   D118       2.32369   0.00000   0.00038   0.00015   0.00053   2.32422
   D119      -2.73454   0.00001  -0.00008   0.00009   0.00001  -2.73453
   D120       1.36255   0.00001   0.00012  -0.00008   0.00005   1.36259
   D121      -2.69790   0.00001   0.00011   0.00008   0.00020  -2.69770
   D122       1.39919   0.00001   0.00032  -0.00009   0.00023   1.39942
   D123       1.33783   0.00000  -0.00139  -0.00041  -0.00180   1.33603
   D124      -0.84826   0.00000  -0.00118  -0.00058  -0.00177  -0.85003
   D125       1.30701   0.00000  -0.00121  -0.00033  -0.00154   1.30547
   D126      -0.87909   0.00000  -0.00100  -0.00050  -0.00150  -0.88059
   D127       1.66270   0.00000  -0.00113  -0.00037  -0.00151   1.66120
   D128      -0.52339   0.00000  -0.00092  -0.00054  -0.00147  -0.52486
   D129       1.78559   0.00000  -0.00111  -0.00042  -0.00153   1.78406
   D130      -0.40051   0.00000  -0.00090  -0.00059  -0.00150  -0.40200
   D131       0.90578   0.00000  -0.00106  -0.00021  -0.00127   0.90451
   D132      -1.28031   0.00000  -0.00086  -0.00038  -0.00124  -1.28155
   D133      -0.93819   0.00000  -0.00197  -0.00063  -0.00260  -0.94078
   D134      -3.12428   0.00000  -0.00176  -0.00080  -0.00256  -3.12684
   D135      -0.50599   0.00000  -0.00226  -0.00083  -0.00309  -0.50909
   D136      -2.69209   0.00000  -0.00206  -0.00100  -0.00306  -2.69515
   D137      -0.18186  -0.00001  -0.00358  -0.00108  -0.00466  -0.18652
   D138      -2.36795  -0.00001  -0.00338  -0.00125  -0.00463  -2.37258
   D139       0.22240   0.00000  -0.00352  -0.00098  -0.00450   0.21790
   D140      -1.96370   0.00000  -0.00332  -0.00115  -0.00447  -1.96816
   D141      -0.30430   0.00000  -0.00148  -0.00057  -0.00206  -0.30636
   D142      -2.49040   0.00000  -0.00128  -0.00074  -0.00202  -2.49242
   D143      -0.04754   0.00000  -0.00156  -0.00054  -0.00210  -0.04964
   D144      -2.23363   0.00000  -0.00136  -0.00071  -0.00207  -2.23570
   D145      -2.46613   0.00000  -0.00024  -0.00048  -0.00072  -2.46685
   D146      -2.71596   0.00000  -0.00054  -0.00043  -0.00096  -2.71692
   D147      -2.40465   0.00000  -0.00099  -0.00021  -0.00120  -2.40585
   D148       3.01678   0.00000  -0.00090  -0.00050  -0.00140   3.01538
   D149       2.63868  -0.00001  -0.00117  -0.00063  -0.00180   2.63688
   D150       1.51962   0.00000  -0.00047  -0.00037  -0.00084   1.51879
   D151       2.62076   0.00000  -0.00038  -0.00029  -0.00066   2.62010
   D152       2.99511   0.00000  -0.00022  -0.00030  -0.00052   2.99459
   D153       1.20253   0.00000  -0.00258  -0.00115  -0.00374   1.19880
   D154       1.25910   0.00000  -0.00175  -0.00082  -0.00257   1.25653
   D155       1.64895   0.00000  -0.00138  -0.00078  -0.00216   1.64679
   D156       1.72121   0.00000  -0.00115  -0.00071  -0.00186   1.71935
   D157       0.90561   0.00000  -0.00133  -0.00058  -0.00191   0.90369
   D158      -1.00101   0.00000  -0.00123  -0.00072  -0.00196  -1.00297
   D159      -0.67210   0.00000  -0.00136  -0.00083  -0.00220  -0.67430
   D160      -0.69202   0.00000  -0.00203  -0.00095  -0.00298  -0.69500
   D161      -0.37904   0.00000  -0.00218  -0.00071  -0.00289  -0.38193
   D162      -0.29657   0.00000  -0.00113  -0.00070  -0.00183  -0.29840
   D163      -0.01402   0.00000  -0.00125  -0.00068  -0.00193  -0.01595
   D164      -1.27508   0.00000  -0.00063  -0.00005  -0.00069  -1.27576
   D165       1.67524   0.00000  -0.00066  -0.00036  -0.00102   1.67422
   D166      -1.64692   0.00000  -0.00072   0.00002  -0.00071  -1.64763
   D167       1.30339   0.00000  -0.00074  -0.00029  -0.00104   1.30235
   D168      -1.72735   0.00000  -0.00088   0.00020  -0.00068  -1.72802
   D169       1.22297   0.00000  -0.00090  -0.00011  -0.00101   1.22196
   D170      -1.98557   0.00000  -0.00092  -0.00015  -0.00107  -1.98664
   D171       0.96474   0.00000  -0.00094  -0.00046  -0.00140   0.96334
   D172      -1.99585   0.00000  -0.00073   0.00010  -0.00063  -1.99648
   D173       0.95447   0.00000  -0.00075  -0.00021  -0.00097   0.95351
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   D395      -0.62878   0.00000   0.00508   0.00307   0.00815  -0.62063
   D396       2.01882   0.00000  -0.00044  -0.00056  -0.00101   2.01781
   D397      -0.68818   0.00000   0.00516   0.00306   0.00821  -0.67997
   D398       2.21386   0.00000  -0.00007  -0.00053  -0.00059   2.21327
   D399      -0.49314   0.00000   0.00553   0.00309   0.00862  -0.48452
   D400       2.48168   0.00000  -0.00059  -0.00059  -0.00117   2.48051
   D401      -0.22532   0.00000   0.00501   0.00303   0.00805  -0.21727
   D402      -1.50557   0.00000  -0.00180  -0.00098  -0.00279  -1.50836
   D403       2.07062   0.00000   0.00380   0.00263   0.00643   2.07705
   D404      -2.60731  -0.00001  -0.00186  -0.00080  -0.00266  -2.60998
   D405       0.96887   0.00000   0.00374   0.00282   0.00655   0.97543
   D406      -2.97591  -0.00001  -0.00131  -0.00067  -0.00199  -2.97790
   D407       0.60027   0.00000   0.00429   0.00294   0.00723   0.60751
   D408       1.87780   0.00001   0.00152   0.00048   0.00201   1.87981
   D409       2.36667   0.00001   0.00127   0.00040   0.00168   2.36834
   D410       2.59931   0.00000   0.00161   0.00033   0.00194   2.60125
   D411       2.83346   0.00000   0.00174   0.00063   0.00237   2.83583
   D412       2.77754   0.00000   0.00084   0.00004   0.00087   2.77841
   D413      -3.00820   0.00000   0.00125   0.00026   0.00150  -3.00670
   D414      -0.78377   0.00000   0.00148   0.00042   0.00190  -0.78187
   D415      -0.40264   0.00000   0.00161   0.00047   0.00208  -0.40056
   D416      -0.09390   0.00000   0.00130   0.00031   0.00162  -0.09228
   D417       0.21508   0.00000   0.00136   0.00036   0.00172   0.21680
   D418      -0.26541   0.00000   0.00201   0.00069   0.00270  -0.26272
   D419       0.05160   0.00000   0.00197   0.00062   0.00259   0.05420
   D420      -2.59455   0.00000   0.00107   0.00031   0.00138  -2.59318
   D421      -2.21172   0.00000   0.00114   0.00035   0.00149  -2.21023
   D422      -1.97218   0.00000   0.00125   0.00037   0.00162  -1.97056
   D423      -1.65547   0.00000   0.00134   0.00032   0.00166  -1.65381
   D424      -1.99202   0.00000   0.00112   0.00034   0.00147  -1.99056
   D425       1.34729   0.00000  -0.00085  -0.00015  -0.00100   1.34629
   D426       2.49337  -0.00001  -0.00077  -0.00015  -0.00093   2.49244
   D427       2.95373   0.00000  -0.00013   0.00023   0.00009   2.95381
   D428      -3.07052   0.00001   0.00134  -0.00064   0.00069  -3.06983
   D429       0.02769   0.00001   0.00013   0.00025   0.00037   0.02806
   D430       0.04182   0.00003   0.00184  -0.00027   0.00157   0.04339
   D431       3.14003   0.00003   0.00062   0.00063   0.00125   3.14128
   D432      -0.08634   0.00003   0.00063   0.00226   0.00289  -0.08344
   D433       2.01372   0.00000   0.00024   0.00189   0.00214   2.01587
   D434      -2.18381   0.00003   0.00042   0.00226   0.00269  -2.18112
   D435       3.09638   0.00003   0.00177   0.00143   0.00320   3.09958
   D436      -1.08675   0.00000   0.00139   0.00106   0.00245  -1.08430
   D437       0.99891   0.00004   0.00157   0.00142   0.00300   1.00190
   D438      -2.36676   0.00000   0.00108  -0.00006   0.00102  -2.36574
   D439      -0.27592  -0.00001   0.00111  -0.00020   0.00091  -0.27501
   D440       1.83138   0.00000   0.00114  -0.00018   0.00095   1.83234
   D441       0.73365   0.00000  -0.00006   0.00078   0.00072   0.73436
   D442       2.82449  -0.00001  -0.00004   0.00064   0.00060   2.82510
   D443      -1.35139   0.00000  -0.00001   0.00065   0.00065  -1.35074
   D444       0.00000  -0.00001  -0.00006  -0.00026  -0.00032  -0.00033
   D445       3.11635  -0.00001  -0.00015   0.00008  -0.00007   3.11628
   D446      -3.11964  -0.00002   0.00014  -0.00059  -0.00045  -3.12009
   D447      -0.00329  -0.00002   0.00005  -0.00024  -0.00019  -0.00349
   D448       2.43134   0.00001  -0.00108  -0.00061  -0.00168   2.42966
   D449      -1.76688   0.00000  -0.00116  -0.00069  -0.00185  -1.76872
   D450       0.34128   0.00000  -0.00118  -0.00077  -0.00195   0.33934
   D451      -0.68622   0.00000  -0.00099  -0.00094  -0.00192  -0.68814
   D452       1.39874   0.00000  -0.00107  -0.00102  -0.00209   1.39666
   D453      -2.77628  -0.00001  -0.00109  -0.00110  -0.00219  -2.77847
   D454       2.05848   0.00000  -0.00028   0.00013  -0.00015   2.05833
   D455      -2.13995   0.00000  -0.00020   0.00005  -0.00015  -2.14010
   D456      -0.04685   0.00000  -0.00021   0.00003  -0.00018  -0.04703
   D457      -1.10712   0.00001  -0.00037   0.00046   0.00009  -1.10703
   D458       0.97763   0.00000  -0.00028   0.00038   0.00009   0.97773
   D459       3.07073   0.00001  -0.00030   0.00036   0.00007   3.07080
   D460      -3.08248  -0.00002  -0.00069  -0.00017  -0.00085  -3.08333
   D461      -0.02429  -0.00003  -0.00037  -0.00011  -0.00048  -0.02477
   D462       0.07244  -0.00002  -0.00037  -0.00067  -0.00104   0.07140
   D463       3.13063  -0.00002  -0.00005  -0.00062  -0.00066   3.12997
   D464       1.92818   0.00002   0.00003   0.00066   0.00069   1.92886
   D465      -2.27084   0.00000   0.00011   0.00040   0.00050  -2.27034
   D466      -0.17895   0.00002   0.00025   0.00047   0.00071  -0.17823
   D467      -1.13329   0.00002  -0.00029   0.00059   0.00030  -1.13299
   D468       0.95087   0.00000  -0.00021   0.00033   0.00012   0.95099
   D469       3.04277   0.00002  -0.00007   0.00040   0.00032   3.04309
   D470      -1.63335  -0.00001  -0.00112  -0.00144  -0.00256  -1.63592
   D471       0.47114  -0.00002  -0.00118  -0.00140  -0.00258   0.46855
   D472       2.56166  -0.00001  -0.00103  -0.00138  -0.00241   2.55925
   D473       1.42847  -0.00001  -0.00080  -0.00138  -0.00218   1.42629
   D474      -2.75023  -0.00002  -0.00086  -0.00133  -0.00220  -2.75242
   D475      -0.65971  -0.00001  -0.00071  -0.00131  -0.00202  -0.66173
   D476       0.00398   0.00000  -0.00072   0.00054  -0.00018   0.00380
   D477      -3.09637   0.00000   0.00048  -0.00028   0.00020  -3.09616
   D478       3.12024   0.00001  -0.00067   0.00054  -0.00013   3.12012
   D479       0.01989   0.00001   0.00054  -0.00028   0.00026   0.02015
   D480      -0.30854   0.00001  -0.00308  -0.00218  -0.00526  -0.31379
   D481       1.79808   0.00001  -0.00366  -0.00171  -0.00537   1.79271
   D482      -2.39925  -0.00001  -0.00306  -0.00245  -0.00551  -2.40476
   D483       2.79373   0.00001  -0.00422  -0.00140  -0.00562   2.78811
   D484      -1.38284   0.00001  -0.00480  -0.00093  -0.00574  -1.38857
   D485       0.70302  -0.00001  -0.00420  -0.00167  -0.00587   0.69715
   D486       0.01506   0.00001  -0.00314   0.00119  -0.00195   0.01311
   D487       2.10683  -0.00001  -0.00267   0.00077  -0.00191   2.10492
   D488      -2.09093   0.00000  -0.00274   0.00092  -0.00183  -2.09276
   D489      -3.08731   0.00001  -0.00199   0.00041  -0.00159  -3.08889
   D490      -0.99554  -0.00001  -0.00152  -0.00002  -0.00154  -0.99708
   D491       1.08989   0.00000  -0.00159   0.00013  -0.00146   1.08843
         Item               Value     Threshold  Converged?
 Maximum Force            0.000043     0.000450     YES
 RMS     Force            0.000008     0.000300     YES
 Maximum Displacement     0.017280     0.001800     NO 
 RMS     Displacement     0.002025     0.001200     NO 
 Predicted change in Energy=-1.556658D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:00:25 2016, MaxMem=  2952790016 cpu:         6.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.837508   -0.615132    1.688794
      2          6           0       -2.118374    1.089790   -1.340265
      3          8           0       -2.663319    0.102755   -1.864830
      4          7           0       -0.823160    1.150321   -0.927666
      5          1           0       -2.673583    2.026601   -1.133584
      6          6           0       -0.289189    2.325854   -0.238865
      7          1           0       -1.052889    3.115354   -0.208151
      8          1           0        0.000578    2.055125    0.789316
      9          1           0        0.600570    2.698717   -0.772023
     10          6           0        0.096647    0.023363   -1.100311
     11          1           0        0.670093   -0.119743   -0.171000
     12          1           0       -0.477597   -0.886080   -1.320381
     13          1           0        0.801520    0.224258   -1.923961
     14          6           0       -1.981461   -4.034890    2.613495
     15          8           0       -2.113603   -3.892702    3.841172
     16          7           0       -2.919184   -3.728118    1.676212
     17          1           0       -1.044083   -4.418329    2.163777
     18          6           0       -4.226363   -3.178977    2.045225
     19          1           0       -4.495993   -2.388234    1.327207
     20          1           0       -5.000872   -3.963467    2.015428
     21          1           0       -4.172268   -2.755353    3.056479
     22          6           0       -2.661287   -3.901279    0.246321
     23          1           0       -3.362674   -4.635894   -0.182266
     24          1           0       -2.799932   -2.939183   -0.274113
     25          1           0       -1.629542   -4.248833    0.096615
     26          6           0        1.532525    0.378746    2.629170
     27          8           0        1.353943    1.391081    3.327550
     28          7           0        1.166521   -0.887712    2.967120
     29          1           0        2.010896    0.429010    1.631175
     30          6           0        1.482469   -2.031498    2.110925
     31          1           0        2.242653   -2.671481    2.589617
     32          1           0        0.575077   -2.634174    1.945210
     33          1           0        1.859734   -1.673118    1.143392
     34          6           0        0.529195   -1.175484    4.254770
     35          1           0        1.281227   -1.471810    5.005853
     36          1           0       -0.001645   -0.280474    4.603667
     37          1           0       -0.184650   -2.001529    4.122903
     38          6           0       -4.587650    1.252374    2.882257
     39          8           0       -4.825386    1.900894    1.849342
     40          7           0       -3.495645    1.404863    3.680591
     41          1           0       -5.260801    0.446579    3.239256
     42          6           0       -2.456165    2.394368    3.385204
     43          1           0       -2.537799    2.704646    2.335459
     44          1           0       -2.563322    3.275048    4.040234
     45          1           0       -1.467777    1.941952    3.560131
     46          6           0       -3.276652    0.552254    4.849132
     47          1           0       -4.093460   -0.178102    4.931813
     48          1           0       -2.319922    0.014405    4.742835
     49          1           0       -3.235124    1.163369    5.765668
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487240   0.000000
     3  O    3.718275   1.243532   0.000000
     4  N    3.315356   1.360692   2.315568   0.000000
     5  H    3.955199   1.108417   2.058156   2.057750   0.000000
     6  C    3.842207   2.467155   3.636265   1.463369   2.564256
     7  H    4.257999   2.553399   3.796553   2.105192   2.160661
     8  H    3.364207   3.155463   4.237049   2.108374   3.293858
     9  H    4.793896   3.210016   4.311173   2.109209   3.361926
    10  C    3.453656   2.470053   2.864996   1.464884   3.418807
    11  H    3.161061   3.256639   3.745691   2.101287   4.088218
    12  H    3.313292   2.568386   2.459999   2.102515   3.652528
    13  H    4.552038   3.100908   3.467473   2.118911   3.993680
    14  C    3.545496   6.474049   6.135180   6.384974   7.159701
    15  O    3.930830   7.188361   6.987440   7.059684   7.752414
    16  N    3.295582   5.740441   5.223029   5.913769   6.408749
    17  H    3.914006   6.616025   6.268317   6.373044   7.420579
    18  C    3.522354   5.841878   5.338671   6.258010   6.293966
    19  H    3.215926   4.986495   4.444415   5.576336   5.372843
    20  H    4.617890   6.716017   6.087259   7.229517   7.156359
    21  H    3.449958   6.191523   5.887698   6.507243   6.532210
    22  C    3.682133   5.265243   4.526506   5.502329   6.086383
    23  H    4.689726   5.972663   5.076900   6.362785   6.765257
    24  H    3.190686   4.223011   3.435467   4.588987   5.041197
    25  H    3.972665   5.550178   4.883879   5.554301   6.479543
    26  C    3.637200   5.439767   6.154454   4.335396   5.879208
    27  O    4.110446   5.825483   6.690215   4.785875   6.043721
    28  N    3.276066   5.766682   6.244713   4.825118   6.328934
    29  H    3.987952   5.130006   5.846091   3.885850   5.669262
    30  C    3.634079   5.883811   6.127742   4.967186   6.653404
    31  H    4.657012   6.972065   7.183804   6.031306   7.752650
    32  H    3.156398   5.649508   5.700385   4.952866   6.461857
    33  H    3.884121   5.443121   5.714992   4.411237   6.278814
    34  C    3.535464   6.591320   7.019654   5.839167   7.038856
    35  H    4.632848   7.641485   8.077436   6.819872   8.097659
    36  H    3.461051   6.456663   7.005200   5.772149   6.736312
    37  H    3.252525   6.568237   6.813571   5.987495   7.074692
    38  C    3.532027   4.894226   5.249714   5.356987   4.515535
    39  O    3.909421   4.261384   4.658638   4.928787   3.680205
    40  N    3.285887   5.215855   5.756730   5.333198   4.923274
    41  H    3.905138   5.591116   5.737318   6.127899   5.320893
    42  C    3.509649   4.913867   5.732125   4.776527   4.538940
    43  H    3.453912   4.036660   4.942471   4.000487   3.537293
    44  H    4.603214   5.824354   6.703970   5.676500   5.323455
    45  H    3.190185   5.016307   5.851681   4.602448   4.846865
    46  C    3.663559   6.319746   6.756886   6.304657   6.191146
    47  H    3.974606   6.696826   6.951154   6.840546   6.608012
    48  H    3.155346   6.180710   6.617172   5.973708   6.221440
    49  H    4.662328   7.193527   7.725048   7.114665   6.975685
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098859   0.000000
     8  H    1.102005   1.796892   0.000000
     9  H    1.102251   1.795958   1.792200   0.000000
    10  C    2.488458   3.417278   2.776324   2.742122   0.000000
    11  H    2.627884   3.665501   2.469920   2.882668   1.101335
    12  H    3.394363   4.192790   3.651049   3.783373   1.097850
    13  H    2.906184   3.839437   3.369786   2.736840   1.102544
    14  C    7.173479   7.742734   6.659158   7.966811   5.880503
    15  O    7.658043   8.163025   7.011435   8.490884   6.681244
    16  N    6.872770   7.339413   6.538921   7.725719   5.556791
    17  H    7.199067   7.898259   6.699706   7.872494   5.628869
    18  C    7.142939   7.400489   6.843987   8.110700   6.231998
    19  H    6.509409   6.670965   6.344440   7.500586   5.727215
    20  H    8.175411   8.404795   7.920941   9.139515   7.182434
    21  H    7.194181   7.406316   6.759686   8.196602   6.574481
    22  C    6.681276   7.212949   6.546688   7.432139   4.982212
    23  H    7.610220   8.088116   7.551501   8.357729   5.875235
    24  H    5.833154   6.301898   5.823817   6.602821   4.224861
    25  H    6.718303   7.393014   6.548054   7.348223   4.760674
    26  C    3.916056   4.714210   2.922698   4.221246   4.012116
    27  O    4.036458   4.611631   2.952148   4.368521   4.801812
    28  N    4.767016   5.570697   3.842205   5.211906   4.303334
    29  H    3.519298   4.470609   2.719256   3.593877   3.360047
    30  C    5.258023   6.188396   4.543472   5.609285   4.056476
    31  H    6.275659   7.223265   5.532520   6.544928   5.048079
    32  H    5.488080   6.351717   4.863709   5.985293   4.070209
    33  H    4.745554   5.765372   4.181103   4.936320   3.319749
    34  C    5.755161   6.389988   4.767141   6.346903   5.504655
    35  H    6.662996   7.326391   5.644334   7.158243   6.397188
    36  H    5.506882   5.982504   4.472617   6.175459   5.712911
    37  H    6.145094   6.759760   5.253907   6.831484   5.609035
    38  C    5.419458   5.051321   5.106530   6.508709   6.270084
    39  O    5.011814   4.465414   4.943417   6.078575   6.037548
    40  N    5.147011   4.900526   4.583218   6.186987   6.137600
    41  H    6.351844   6.059167   6.022602   7.451051   6.907475
    42  C    4.223074   3.924437   3.590169   5.169023   5.679645
    43  H    3.439022   2.973817   3.042334   4.416541   5.092554
    44  H    4.937948   4.511727   4.316279   5.787934   6.638832
    45  H    3.996100   3.968495   3.137880   4.859867   5.277132
    46  C    6.161031   6.090215   5.429638   7.158040   6.859647
    47  H    6.890441   6.819909   6.237687   7.927405   7.347388
    48  H    5.855255   5.977752   5.017925   6.793266   6.323152
    49  H    6.788543   6.652737   6.002423   7.733773   7.716345
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795980   0.000000
    13  H    1.791224   1.798138   0.000000
    14  C    5.487489   5.258516   6.817172   0.000000
    15  O    6.171038   6.193377   7.660552   1.242928   0.000000
    16  N    5.414377   4.797717   6.513537   1.360858   2.315837
    17  H    5.183381   4.993701   6.455190   1.108128   2.057622
    18  C    6.184323   5.535154   7.253693   2.468827   2.863317
    19  H    5.837733   5.041200   6.742318   3.269386   3.776139
    20  H    7.191282   6.407648   8.168451   3.078901   3.416821
    21  H    6.388389   6.025087   7.643391   2.575478   2.479396
    22  C    5.056903   4.039119   5.806997   2.466481   3.636342
    23  H    6.054665   4.866218   6.632880   3.175726   4.277916
    24  H    4.472242   3.271566   5.069498   3.195113   4.279698
    25  H    4.733849   3.826612   5.477347   2.550354   3.792473
    26  C    2.972076   4.608615   4.614026   5.641678   5.745300
    27  O    3.871704   5.490288   5.407866   6.409052   6.340824
    28  N    3.268641   4.591927   5.029153   4.465374   4.533558
    29  H    2.312297   4.078449   3.760785   6.068795   6.369676
    30  C    3.085765   4.114330   4.672519   4.032984   4.403358
    31  H    4.074963   5.086797   5.552887   4.438760   4.694118
    32  H    3.287817   3.850720   4.815848   2.990735   3.522437
    33  H    2.357085   3.486076   3.758791   4.742778   5.290744
    34  C    4.552130   5.672715   6.341148   4.144078   3.812968
    35  H    5.385293   6.592252   7.150461   4.789351   4.329212
    36  H    4.824367   5.973913   6.596193   4.687867   4.253229
    37  H    4.765428   5.564116   6.518529   3.105060   2.716021
    38  C    6.232892   6.255213   7.293827   5.900815   5.788975
    39  O    6.193952   6.059508   6.979327   6.626113   6.699769
    40  N    5.874739   6.274293   7.160340   5.746509   5.477227
    41  H    6.864844   6.741314   7.966177   5.588311   5.394119
    42  C    5.361048   6.067834   6.596146   6.492784   6.312884
    43  H    4.954804   5.522944   5.953658   6.768173   6.780274
    44  H    6.301910   7.099396   7.496740   7.470565   7.184603
    45  H    4.768901   5.726921   6.178629   6.073107   5.877011
    46  C    6.421068   6.925779   7.912893   5.264740   4.703860
    47  H    6.980942   7.257109   8.433527   4.970911   4.348285
    48  H    5.753605   6.400596   7.364348   4.587531   4.015103
    49  H    7.220882   7.875042   8.735378   6.207235   5.524975
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056724   0.000000
    18  C    1.465074   3.417155   0.000000
    19  H    2.098432   4.091065   1.101601   0.000000
    20  H    2.122235   3.985609   1.102804   1.791622   0.000000
    21  H    2.102766   3.653484   1.097733   1.797207   1.797195
    22  C    1.463244   2.561118   2.491433   2.612234   2.933815
    23  H    2.115344   3.305619   2.798264   2.935115   2.822360
    24  H    2.107227   3.348759   2.733410   2.396746   3.336959
    25  H    2.104625   2.155145   3.418355   3.632179   3.889620
    26  C    6.131246   5.465111   6.794349   6.759757   7.868721
    27  O    6.869696   6.391724   7.325954   7.246126   8.412878
    28  N    5.140752   4.242333   5.931525   6.083169   6.957207
    29  H    6.448987   5.754412   7.217507   7.097103   8.282898
    30  C    4.737303   3.476093   5.823383   6.040156   6.765747
    31  H    5.347463   3.746392   6.511688   6.861724   7.380215
    32  H    3.671367   2.419227   4.833285   5.114505   5.732640
    33  H    5.229242   4.124260   6.334153   6.398472   7.285194
    34  C    5.005619   4.166954   5.613502   5.940867   6.585525
    35  H    5.815573   4.708125   6.481766   6.910032   7.390248
    36  H    5.382219   4.915443   5.726709   5.947857   6.727235
    37  H    4.055254   3.227649   4.694526   5.152973   5.611296
    38  C    5.389213   6.725322   4.524160   3.959875   5.303503
    39  O    5.945532   7.370868   5.118817   4.333329   5.869336
    40  N    5.540517   6.497726   4.921378   4.574570   5.818715
    41  H    5.035312   6.527227   3.954798   3.503858   4.584083
    42  C    6.373373   7.063902   5.999277   5.591917   6.983831
    43  H    6.477694   7.279934   6.128011   5.548741   7.115679
    44  H    7.399971   8.063326   6.957026   6.570274   7.901746
    45  H    6.148612   6.525526   6.010712   5.736424   7.052861
    46  C    5.340111   6.074717   4.762975   4.747338   5.603084
    47  H    4.957870   5.911027   4.165970   4.247341   4.863917
    48  H    4.875426   5.284737   4.594487   4.708978   5.518126
    49  H    6.383582   6.994972   5.803467   5.822681   6.592921
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390162   0.000000
    23  H    3.831625   1.102402   0.000000
    24  H    3.606929   1.102590   1.789957   0.000000
    25  H    4.178125   1.098955   1.797592   1.795114   0.000000
    26  C    6.523023   6.448616   7.550746   6.181253   6.150365
    27  O    6.914144   7.322917   8.419603   6.998416   7.151835
    28  N    5.656742   5.580004   6.669416   5.517868   5.230191
    29  H    7.099519   6.519089   7.603754   6.174051   6.122897
    30  C    5.778761   4.913608   5.959615   4.985103   4.319564
    31  H    6.432434   5.572438   6.554536   5.805194   4.867956
    32  H    4.877180   3.868569   4.902950   4.050816   3.299208
    33  H    6.419982   5.119479   6.148899   5.032368   4.461513
    34  C    5.102513   5.803172   6.841665   5.891052   5.603202
    35  H    5.931959   6.640699   7.648126   6.832794   6.347051
    36  H    5.090472   6.258625   7.291869   6.220279   6.221852
    37  H    4.196022   4.977014   5.964411   5.201215   4.832089
    38  C    4.032960   6.100752   6.750079   5.543261   6.839114
    39  O    4.854315   6.396735   6.999754   5.660200   7.148749
    40  N    4.260836   6.375383   7.171478   5.915609   6.949209
    41  H    3.386839   5.883792   6.414143   5.464706   6.716333
    42  C    5.438078   7.037744   7.935566   6.477310   7.458569
    43  H    5.744819   6.929502   7.804031   6.223454   7.361265
    44  H    6.318403   8.118069   9.002860   7.568767   8.545927
    45  H    5.443584   6.822694   7.801553   6.348349   7.095628
    46  C    3.867298   6.434167   7.227673   6.218121   6.953404
    47  H    3.188308   6.153618   6.823472   6.033112   6.783870
    48  H    3.734507   5.972249   6.853411   5.841563   6.343437
    49  H    4.855340   7.512865   8.308168   7.314320   8.000499
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242758   0.000000
    28  N    1.360914   2.314721   0.000000
    29  H    1.107863   2.057877   2.057055   0.000000
    30  C    2.465839   3.634658   1.463263   2.561932   0.000000
    31  H    3.132049   4.223595   2.117167   3.253515   1.102997
    32  H    3.234532   4.326682   2.108136   3.397542   1.101835
    33  H    2.554359   3.796799   2.103185   2.163267   1.098583
    34  C    2.462697   2.850824   1.465278   3.413662   2.497511
    35  H    3.022636   3.319357   2.123855   3.941318   2.955394
    36  H    2.585902   2.502037   2.100390   3.659153   3.388575
    37  H    3.293271   3.809154   2.098114   4.115416   2.613089
    38  C    6.187392   5.959870   6.139842   6.766384   6.944430
    39  O    6.583927   6.374096   6.702888   6.996341   7.437820
    40  N    5.238406   4.862441   5.244115   5.956039   6.249324
    41  H    6.821004   6.682419   6.569998   7.447404   7.272255
    42  C    4.532546   3.940410   4.906191   5.185932   6.060109
    43  H    4.697192   4.225559   5.198656   5.134702   6.216433
    44  H    5.211106   4.404794   5.691387   5.901438   6.946228
    45  H    3.508862   2.884381   3.911290   4.255706   5.156787
    46  C    5.299672   4.945832   5.035600   6.191010   6.068178
    47  H    6.104421   5.891536   5.659591   6.966058   6.517934
    48  H    4.409272   4.170797   4.015255   5.348861   5.056763
    49  H    5.760532   5.201520   5.604756   6.719676   6.769048
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788145   0.000000
    33  H    1.798588   1.793567   0.000000
    34  C    2.818986   2.732024   3.420328   0.000000
    35  H    2.863869   3.349220   3.910729   1.103398   0.000000
    36  H    3.848400   3.597209   4.168656   1.097525   1.796328
    37  H    2.948152   2.391604   3.628338   1.099688   1.791368
    38  C    7.882596   6.529706   7.290467   5.827554   6.809886
    39  O    8.450550   7.052732   7.613327   6.627346   7.656984
    40  N    7.122841   5.991340   6.677682   4.815310   5.731498
    41  H    8.151451   6.724810   7.719312   6.098066   7.042671
    42  C    6.955191   6.045516   6.340123   4.734170   5.616221
    43  H    7.198615   6.192358   6.318555   5.305244   6.257695
    44  H    7.782216   7.011247   7.241510   5.423737   6.184305
    45  H    5.999412   5.265183   5.475553   3.766805   4.615290
    46  C    6.779425   5.781169   6.713215   4.221708   4.989555
    47  H    7.200635   6.061958   7.213025   4.777248   5.528690
    48  H    5.715542   4.818994   5.768297   3.125942   3.904649
    49  H    7.402663   6.598096   7.441013   4.682216   5.283835
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796289   0.000000
    38  C    5.132672   5.613688   0.000000
    39  O    5.967675   6.475678   1.242581   0.000000
    40  N    3.987539   4.770936   1.361273   2.316836   0.000000
    41  H    5.481692   5.704505   1.109003   2.058271   2.056419
    42  C    3.829374   5.002789   2.469886   2.866286   1.465228
    43  H    4.526344   5.557009   2.570987   2.472930   2.101497
    44  H    4.418301   5.788539   3.087074   3.435875   2.120416
    45  H    2.859666   4.184993   3.266289   3.768557   2.101244
    46  C    3.388121   4.075499   2.465255   3.635402   1.463007
    47  H    4.106228   4.388396   2.547777   3.789402   2.104452
    48  H    2.341096   3.001282   3.183851   4.267141   2.108094
    49  H    3.726972   4.692617   3.186112   4.290744   2.115121
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417773   0.000000
    43  H    3.651091   1.097680   0.000000
    44  H    3.989762   1.102789   1.797851   0.000000
    45  H    4.089760   1.100996   1.796238   1.791051   0.000000
    46  C    2.557287   2.491921   3.390760   2.928611   2.620079
    47  H    2.148875   3.419114   4.179878   3.880784   3.642850
    48  H    3.331110   2.743346   3.616674   3.344351   2.416687
    49  H    3.316612   2.790832   3.824674   2.808493   2.931570
                   46         47         48         49
    46  C    0.000000
    47  H    1.098832   0.000000
    48  H    1.102684   1.793936   0.000000
    49  H    1.102372   1.797665   1.789944   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143808      0.1933185      0.1843517
 Leave Link  202 at Mon Nov 14 02:00:25 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0966204777 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839844415 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9126360362 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4026
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.10D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     210
 GePol: Fraction of low-weight points (<1% of avg)   =       5.22%
 GePol: Cavity surface area                          =    466.908 Ang**2
 GePol: Cavity volume                                =    457.871 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040175151 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9086185211 Hartrees.
 Leave Link  301 at Mon Nov 14 02:00:25 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37490.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:00:27 2016, MaxMem=  2952790016 cpu:        14.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:00:27 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000489    0.000794    0.000519
         Rot=    1.000000   -0.000051    0.000044   -0.000102 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 02:00:27 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48626028.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   2281.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.15D-15 for   1814   1002.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.03D-14 for   2702.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.41D-12 for   1451   1420.
 E= -1013.45124932703    
 DIIS: error= 1.30D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45124932703     IErMin= 1 ErrMin= 1.30D-04
 ErrMax= 1.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-05 BMatP= 2.18D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.30D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.68D-05 MaxDP=9.98D-04              OVMax= 1.20D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.68D-05    CP:  1.00D+00
 E= -1013.45128431018     Delta-E=       -0.000034983153 Rises=F Damp=F
 DIIS: error= 1.59D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128431018     IErMin= 2 ErrMin= 1.59D-05
 ErrMax= 1.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.61D-07 BMatP= 2.18D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-01 0.979D+00
 Coeff:      0.208D-01 0.979D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.82D-06 MaxDP=2.39D-04 DE=-3.50D-05 OVMax= 3.16D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.77D-06    CP:  1.00D+00  9.77D-01
 E= -1013.45128335637     Delta-E=        0.000000953813 Rises=F Damp=F
 DIIS: error= 5.37D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128431018     IErMin= 2 ErrMin= 1.59D-05
 ErrMax= 5.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-06 BMatP= 3.61D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.244D-02 0.687D+00 0.310D+00
 Coeff:      0.244D-02 0.687D+00 0.310D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.58D-06 MaxDP=2.15D-04 DE= 9.54D-07 OVMax= 3.10D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.69D-06    CP:  1.00D+00  9.83D-01  3.43D-01
 E= -1013.45128455016     Delta-E=       -0.000001193790 Rises=F Damp=F
 DIIS: error= 1.45D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128455016     IErMin= 4 ErrMin= 1.45D-05
 ErrMax= 1.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.72D-08 BMatP= 3.61D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.341D-04 0.289D+00 0.207D+00 0.504D+00
 Coeff:     -0.341D-04 0.289D+00 0.207D+00 0.504D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.31D-07 MaxDP=4.59D-05 DE=-1.19D-06 OVMax= 8.79D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.83D-07    CP:  1.00D+00  9.85D-01  3.96D-01  5.56D-01
 E= -1013.45128461546     Delta-E=       -0.000000065302 Rises=F Damp=F
 DIIS: error= 6.21D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128461546     IErMin= 5 ErrMin= 6.21D-06
 ErrMax= 6.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-08 BMatP= 8.72D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.262D-04 0.147D+00 0.120D+00 0.352D+00 0.381D+00
 Coeff:     -0.262D-04 0.147D+00 0.120D+00 0.352D+00 0.381D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.64D-07 MaxDP=1.89D-05 DE=-6.53D-08 OVMax= 2.16D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.43D-07    CP:  1.00D+00  9.86D-01  3.89D-01  5.84D-01  5.61D-01
 E= -1013.45128462643     Delta-E=       -0.000000010967 Rises=F Damp=F
 DIIS: error= 2.79D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128462643     IErMin= 6 ErrMin= 2.79D-07
 ErrMax= 2.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.98D-11 BMatP= 1.26D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-04 0.450D-01 0.379D-01 0.115D+00 0.146D+00 0.656D+00
 Coeff:     -0.186D-04 0.450D-01 0.379D-01 0.115D+00 0.146D+00 0.656D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.53D-08 MaxDP=1.82D-06 DE=-1.10D-08 OVMax= 2.43D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.13D-08    CP:  1.00D+00  9.86D-01  3.91D-01  5.87D-01  5.55D-01
                    CP:  9.07D-01
 E= -1013.45128462635     Delta-E=        0.000000000080 Rises=F Damp=F
 DIIS: error= 1.44D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -1013.45128462643     IErMin= 7 ErrMin= 1.44D-07
 ErrMax= 1.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-11 BMatP= 6.98D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-04 0.101D-01 0.900D-02 0.282D-01 0.416D-01 0.360D+00
 Coeff-Com:  0.551D+00
 Coeff:     -0.129D-04 0.101D-01 0.900D-02 0.282D-01 0.416D-01 0.360D+00
 Coeff:      0.551D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.24D-08 MaxDP=6.30D-07 DE= 8.05D-11 OVMax= 8.23D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.31D-09    CP:  1.00D+00  9.86D-01  3.90D-01  5.88D-01  5.59D-01
                    CP:  9.09D-01  7.23D-01
 E= -1013.45128462653     Delta-E=       -0.000000000179 Rises=F Damp=F
 DIIS: error= 1.69D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45128462653     IErMin= 8 ErrMin= 1.69D-08
 ErrMax= 1.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.27D-13 BMatP= 1.55D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.490D-05 0.204D-02 0.196D-02 0.611D-02 0.104D-01 0.120D+00
 Coeff-Com:  0.239D+00 0.620D+00
 Coeff:     -0.490D-05 0.204D-02 0.196D-02 0.611D-02 0.104D-01 0.120D+00
 Coeff:      0.239D+00 0.620D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.46D-09 MaxDP=1.74D-07 DE=-1.79D-10 OVMax= 2.57D-07

 Error on total polarization charges =  0.04306
 SCF Done:  E(RB97D) =  -1013.45128463     A.U. after    8 cycles
            NFock=  8  Conv=0.35D-08     -V/T= 2.0213
 KE= 9.923490718013D+02 PE=-6.027325885738D+03 EE= 2.173616910789D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:02:05 2016, MaxMem=  2952790016 cpu:      1112.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37490.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 02:02:13 2016, MaxMem=  2952790016 cpu:        96.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:02:13 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:02:50 2016, MaxMem=  2952790016 cpu:       439.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24360756D+00-2.69648264D+00 3.28116906D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000018553    0.000026827   -0.000100437
      2        6           0.000015500    0.000027387   -0.000028233
      3        8           0.000034207    0.000036307    0.000015708
      4        7           0.000076244    0.000027154    0.000052961
      5        1           0.000020856    0.000012634    0.000010979
      6        6           0.000003526    0.000004620   -0.000004590
      7        1          -0.000005642    0.000000214    0.000024265
      8        1           0.000014211   -0.000011199    0.000090027
      9        1           0.000024234    0.000038552    0.000051296
     10        6           0.000032013    0.000035503    0.000039909
     11        1           0.000031676   -0.000004335    0.000005927
     12        1           0.000025938    0.000016997    0.000014177
     13        1           0.000021923    0.000028674    0.000020227
     14        6           0.000005803   -0.000005195   -0.000043720
     15        8          -0.000016853    0.000004615   -0.000039971
     16        7           0.000009619    0.000004137   -0.000019940
     17        1          -0.000010317   -0.000020732   -0.000022552
     18        6           0.000001361   -0.000001841   -0.000025387
     19        1           0.000003368    0.000003053   -0.000020932
     20        1          -0.000000920   -0.000001765   -0.000048004
     21        1          -0.000006200   -0.000004854   -0.000031409
     22        6           0.000013990    0.000008772   -0.000022095
     23        1           0.000005716    0.000018896   -0.000030426
     24        1          -0.000003823    0.000012093   -0.000018238
     25        1           0.000010315    0.000005048   -0.000027199
     26        6           0.000001710   -0.000048485    0.000013377
     27        8          -0.000042296    0.000005369    0.000018159
     28        7          -0.000011664   -0.000014224    0.000013335
     29        1           0.000022184    0.000007288    0.000043815
     30        6           0.000014395    0.000034055   -0.000005476
     31        1          -0.000035267   -0.000019261    0.000040672
     32        1           0.000002870    0.000006204    0.000003036
     33        1           0.000030715   -0.000001274    0.000020089
     34        6          -0.000013658   -0.000001574    0.000006898
     35        1          -0.000023560   -0.000028492    0.000016947
     36        1          -0.000008046   -0.000020596    0.000023014
     37        1          -0.000026768   -0.000007255   -0.000007050
     38        6          -0.000020312   -0.000026478   -0.000019125
     39        8           0.000006277    0.000000448    0.000006564
     40        7           0.000015942    0.000012995   -0.000014718
     41        1          -0.000010063   -0.000000065   -0.000016713
     42        6          -0.000191290   -0.000047982    0.000045590
     43        1          -0.000008675   -0.000031085   -0.000005186
     44        1           0.000091993    0.000026717   -0.000008588
     45        1           0.000017171   -0.000028925   -0.000003171
     46        6          -0.000049179   -0.000015915    0.000040885
     47        1          -0.000015847   -0.000023416   -0.000029239
     48        1          -0.000005473   -0.000014979   -0.000020691
     49        1          -0.000029351   -0.000024631   -0.000004763
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000191290 RMS     0.000031009
 Leave Link  716 at Mon Nov 14 02:02:50 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000028972 RMS     0.000005437
 Search for a local minimum.
 Step number  40 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .54371D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   31   32   33   34   35
                                                     36   37   38   39   40
 DE= -1.82D-06 DEPred=-1.56D-06 R= 1.17D+00
 TightC=F SS=  1.41D+00  RLast= 6.49D-02 DXNew= 2.2445D+00 1.9457D-01
 Trust test= 1.17D+00 RLast= 6.49D-02 DXMaxT set to 1.33D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00022   0.00062   0.00085   0.00103   0.00184
     Eigenvalues ---    0.00254   0.00336   0.00372   0.00434   0.00526
     Eigenvalues ---    0.00587   0.00663   0.00723   0.00778   0.00811
     Eigenvalues ---    0.00858   0.00948   0.01005   0.01040   0.01080
     Eigenvalues ---    0.01187   0.01228   0.01265   0.01338   0.01402
     Eigenvalues ---    0.01455   0.01602   0.01639   0.01663   0.01713
     Eigenvalues ---    0.01769   0.01823   0.01866   0.01903   0.01953
     Eigenvalues ---    0.01986   0.02128   0.02192   0.02280   0.02397
     Eigenvalues ---    0.02482   0.02682   0.02732   0.03077   0.03166
     Eigenvalues ---    0.03811   0.04104   0.04370   0.04581   0.04792
     Eigenvalues ---    0.05127   0.05490   0.05939   0.06109   0.06216
     Eigenvalues ---    0.06431   0.06572   0.06634   0.06982   0.07109
     Eigenvalues ---    0.07283   0.07760   0.07893   0.08048   0.08071
     Eigenvalues ---    0.08199   0.08305   0.08359   0.08561   0.08661
     Eigenvalues ---    0.08769   0.08927   0.09066   0.09324   0.09577
     Eigenvalues ---    0.09654   0.09883   0.09983   0.10091   0.10330
     Eigenvalues ---    0.10441   0.10565   0.10603   0.10742   0.11165
     Eigenvalues ---    0.11245   0.11420   0.11463   0.12108   0.13190
     Eigenvalues ---    0.13463   0.13884   0.14610   0.15167   0.15326
     Eigenvalues ---    0.15582   0.16127   0.21866   0.23112   0.23350
     Eigenvalues ---    0.23761   0.24591   0.24810   0.25786   0.26478
     Eigenvalues ---    0.27021   0.27805   0.28612   0.29276   0.29686
     Eigenvalues ---    0.29860   0.30099   0.32719   0.32740   0.32821
     Eigenvalues ---    0.32827   0.33304   0.33348   0.33375   0.33384
     Eigenvalues ---    0.33416   0.33425   0.33457   0.33496   0.33690
     Eigenvalues ---    0.33793   0.33823   0.33840   0.33917   0.33934
     Eigenvalues ---    0.34004   0.34022   0.34144   0.37326   0.39366
     Eigenvalues ---    0.40518   0.41380   0.85970   0.85974   0.86131
     Eigenvalues ---    0.87206
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    40   39   38   37   36
 RFO step:  Lambda=-1.07179733D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  7.79D-06 SmlDif=  1.00D-05
 RMS Error=  0.3388378154D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.15591    0.04237   -0.12061   -0.07237   -0.00531
 Iteration  1 RMS(Cart)=  0.00102635 RMS(Int)=  0.00001928
 Iteration  2 RMS(Cart)=  0.00001587 RMS(Int)=  0.00000326
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000326
 ITry= 1 IFail=0 DXMaxC= 1.01D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58993  -0.00001   0.00024  -0.00047  -0.00022   6.58971
    R2        6.26512  -0.00001   0.00105   0.00004   0.00109   6.26620
    R3        7.26072  -0.00001   0.00173  -0.00076   0.00096   7.26168
    R4        6.35743  -0.00002   0.00243  -0.00101   0.00142   6.35885
    R5        6.52646   0.00000   0.00000   0.00025   0.00025   6.52671
    R6        5.97354   0.00002  -0.00079   0.00011  -0.00068   5.97286
    R7        6.70002   0.00000   0.00003   0.00025   0.00028   6.70030
    R8        6.22775   0.00000   0.00004  -0.00003   0.00002   6.22776
    R9        6.65628  -0.00001   0.00041  -0.00028   0.00014   6.65642
   R10        6.07722   0.00000  -0.00048   0.00012  -0.00036   6.07686
   R11        6.95822   0.00001  -0.00009   0.00039   0.00030   6.95852
   R12        6.02952   0.00000  -0.00018   0.00047   0.00029   6.02981
   R13        6.87331   0.00001  -0.00031  -0.00022  -0.00052   6.87279
   R14        6.19087   0.00000   0.00005   0.00015   0.00021   6.19108
   R15        6.86741   0.00001   0.00005   0.00071   0.00076   6.86818
   R16        5.96473   0.00000   0.00012   0.00018   0.00030   5.96503
   R17        6.68106  -0.00002   0.00037  -0.00032   0.00006   6.68111
   R18        6.67456   0.00000  -0.00024   0.00115   0.00090   6.67546
   R19        6.20943   0.00000   0.00032  -0.00045  -0.00014   6.20929
   R20        6.63228  -0.00001  -0.00006  -0.00271  -0.00278   6.62950
   R21        6.02858  -0.00002   0.00242   0.00086   0.00330   6.03188
   R22        6.92312   0.00001   0.00031   0.00064   0.00094   6.92407
   R23        5.96274  -0.00001  -0.00012  -0.00004  -0.00016   5.96258
   R24        2.34993  -0.00002   0.00003  -0.00001   0.00002   2.34996
   R25        2.57133   0.00002  -0.00002   0.00004   0.00002   2.57135
   R26        2.09460   0.00000   0.00000  -0.00001   0.00000   2.09460
   R27        2.76537  -0.00002  -0.00005  -0.00015  -0.00020   2.76517
   R28        2.76823  -0.00001  -0.00001  -0.00002  -0.00003   2.76820
   R29        2.07654   0.00001   0.00000   0.00002   0.00003   2.07657
   R30        2.08249   0.00003  -0.00004   0.00007   0.00003   2.08252
   R31        2.08295   0.00000   0.00000   0.00000   0.00000   2.08295
   R32        2.08122  -0.00001   0.00000  -0.00001  -0.00001   2.08121
   R33        2.07464   0.00000  -0.00001   0.00000  -0.00001   2.07463
   R34        2.08351   0.00000   0.00000  -0.00001  -0.00002   2.08349
   R35        2.34879  -0.00001   0.00001   0.00000   0.00000   2.34879
   R36        2.57165  -0.00002   0.00002  -0.00004  -0.00002   2.57163
   R37        2.09406   0.00000   0.00000   0.00000   0.00000   2.09406
   R38        2.76859   0.00000  -0.00001  -0.00001  -0.00003   2.76856
   R39        2.76513  -0.00001   0.00001  -0.00003  -0.00002   2.76511
   R40        2.08172   0.00000   0.00001  -0.00001   0.00000   2.08172
   R41        2.08400   0.00000   0.00000   0.00000   0.00001   2.08401
   R42        2.07442   0.00000  -0.00002   0.00000  -0.00001   2.07440
   R43        2.08324   0.00000   0.00000   0.00000   0.00000   2.08324
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   A206       1.70962   0.00000   0.00041   0.00021   0.00062   1.71025
   A207       1.96369   0.00000   0.00003  -0.00034  -0.00031   1.96338
   A208       1.67599   0.00000   0.00007  -0.00027  -0.00020   1.67579
   A209       0.83387   0.00000  -0.00007   0.00004  -0.00003   0.83385
   A210       2.70432   0.00000  -0.00016  -0.00062  -0.00079   2.70353
   A211       2.38868   0.00000   0.00008  -0.00017  -0.00009   2.38859
   A212       2.27048   0.00000   0.00040   0.00036   0.00076   2.27124
   A213       1.95680   0.00000   0.00033   0.00010   0.00044   1.95723
   A214       2.01973   0.00000  -0.00004  -0.00036  -0.00040   2.01933
   A215       1.73742   0.00000   0.00000  -0.00030  -0.00030   1.73712
   A216       1.93884   0.00000   0.00016  -0.00028  -0.00013   1.93871
   A217       1.56609   0.00000   0.00021  -0.00011   0.00009   1.56618
   A218       1.47374   0.00000   0.00038   0.00023   0.00061   1.47435
   A219       1.18502   0.00000   0.00022  -0.00015   0.00008   1.18510
   A220       1.25285   0.00000   0.00008  -0.00029  -0.00021   1.25264
   A221       0.96610   0.00000   0.00012  -0.00021  -0.00008   0.96602
   A222       0.71672   0.00000  -0.00001   0.00005   0.00004   0.71676
   A223       1.01010   0.00000  -0.00008   0.00003  -0.00006   1.01005
   A224       0.69846   0.00000   0.00001  -0.00009  -0.00008   0.69838
   A225       0.98654   0.00000  -0.00002  -0.00013  -0.00015   0.98638
   A226       0.66025   0.00000  -0.00017  -0.00005  -0.00022   0.66003
   A227       0.66566   0.00000   0.00002   0.00003   0.00005   0.66571
   A228       0.70833   0.00000  -0.00003   0.00013   0.00011   0.70844
   A229       0.84214   0.00000   0.00010   0.00034   0.00045   0.84258
   A230       0.77288   0.00000  -0.00036  -0.00037  -0.00073   0.77215
   A231       0.78135   0.00000  -0.00023  -0.00020  -0.00042   0.78093
   A232       1.58444  -0.00001  -0.00073  -0.00035  -0.00108   1.58336
   A233       1.86668   0.00000   0.00077   0.00006   0.00083   1.86752
   A234       2.18996   0.00000  -0.00002   0.00001  -0.00001   2.18995
   A235       2.12940   0.00000  -0.00003  -0.00006  -0.00009   2.12930
   A236       1.96347   0.00000   0.00006   0.00004   0.00010   1.96357
   A237       2.12445  -0.00001  -0.00001  -0.00016  -0.00017   2.12428
   A238       2.12672   0.00000  -0.00001  -0.00002  -0.00003   2.12669
   A239       2.03125   0.00001   0.00000   0.00016   0.00016   2.03141
   A240       1.82953  -0.00001  -0.00080  -0.00068  -0.00148   1.82805
   A241       2.54436   0.00001   0.00084   0.00071   0.00154   2.54590
   A242       1.91422   0.00000   0.00002  -0.00013  -0.00011   1.91411
   A243       1.91533   0.00000  -0.00013  -0.00008  -0.00021   1.91512
   A244       1.91624   0.00000   0.00022   0.00029   0.00051   1.91675
   A245       1.91046   0.00000  -0.00015  -0.00007  -0.00021   1.91025
   A246       1.90868   0.00000  -0.00003  -0.00004  -0.00007   1.90861
   A247       1.89879   0.00000   0.00006   0.00003   0.00009   1.89888
   A248       1.28263   0.00000  -0.00003   0.00021   0.00019   1.28281
   A249       1.90441   0.00001  -0.00005   0.00016   0.00011   1.90452
   A250       1.90973   0.00000  -0.00004  -0.00004  -0.00008   1.90965
   A251       1.92762  -0.00001   0.00002  -0.00008  -0.00006   1.92756
   A252       1.91119  -0.00001   0.00005  -0.00005   0.00000   1.91119
   A253       1.89775   0.00000  -0.00001  -0.00001  -0.00002   1.89773
   A254       1.91303   0.00000   0.00003   0.00002   0.00005   1.91308
   A255       1.72297  -0.00002   0.00004  -0.00018  -0.00015   1.72282
   A256       1.76559   0.00002  -0.00005   0.00037   0.00032   1.76591
   A257       2.19106  -0.00001   0.00002  -0.00004  -0.00002   2.19104
   A258       2.12984   0.00000  -0.00002   0.00002   0.00000   2.12984
   A259       1.96208   0.00001   0.00001   0.00002   0.00002   1.96210
   A260       2.12448   0.00000   0.00003   0.00001   0.00004   2.12452
   A261       2.12342   0.00000  -0.00001   0.00001  -0.00001   2.12341
   A262       2.03504   0.00000  -0.00002  -0.00001  -0.00003   2.03501
   A263       1.34786   0.00000   0.00070  -0.00026   0.00045   1.34830
   A264       1.89997   0.00000   0.00009   0.00000   0.00008   1.90005
   A265       1.93177   0.00000  -0.00005  -0.00002  -0.00007   1.93170
   A266       1.90997   0.00000   0.00001   0.00003   0.00004   1.91001
   A267       1.89770   0.00000  -0.00006   0.00000  -0.00006   1.89764
   A268       1.91293   0.00000   0.00001   0.00000   0.00002   1.91295
   A269       1.91136   0.00000  -0.00001   0.00000  -0.00001   1.91135
   A270       2.66673  -0.00001   0.00000  -0.00010  -0.00011   2.66663
   A271       1.69670   0.00001   0.00000   0.00010   0.00010   1.69681
   A272       1.92478   0.00000  -0.00001   0.00000  -0.00001   1.92476
   A273       1.91328   0.00000   0.00001  -0.00004  -0.00003   1.91325
   A274       1.91348   0.00000  -0.00001   0.00000  -0.00001   1.91347
   A275       1.89437   0.00000   0.00002  -0.00001   0.00001   1.89438
   A276       1.91093   0.00000  -0.00001   0.00003   0.00002   1.91095
   A277       1.90680   0.00000  -0.00001   0.00003   0.00003   1.90683
   A278       1.80774  -0.00003  -0.00019  -0.00058  -0.00077   1.80698
   A279       1.75135   0.00002   0.00003   0.00048   0.00051   1.75186
   A280       2.18935  -0.00001   0.00002   0.00006   0.00008   2.18943
   A281       2.13096   0.00000   0.00000  -0.00008  -0.00007   2.13088
   A282       1.96281   0.00001  -0.00003   0.00002  -0.00001   1.96279
   A283       2.12239   0.00000   0.00006   0.00004   0.00009   2.12248
   A284       2.11526   0.00000   0.00008   0.00003   0.00011   2.11537
   A285       2.04271   0.00000  -0.00013  -0.00006  -0.00019   2.04252
   A286       2.70496  -0.00003   0.00001  -0.00068  -0.00067   2.70429
   A287       1.65518   0.00002   0.00002   0.00061   0.00063   1.65581
   A288       1.92667   0.00000  -0.00008  -0.00005  -0.00013   1.92654
   A289       1.91531   0.00000   0.00001  -0.00008  -0.00007   1.91525
   A290       1.91185   0.00001   0.00002   0.00003   0.00005   1.91190
   A291       1.89176  -0.00001   0.00002  -0.00005  -0.00003   1.89173
   A292       1.91221   0.00000  -0.00002   0.00008   0.00006   1.91227
   A293       1.90581   0.00001   0.00004   0.00007   0.00011   1.90592
   A294       1.34662   0.00001   0.00067  -0.00022   0.00046   1.34708
   A295       1.15653  -0.00001  -0.00041   0.00005  -0.00036   1.15617
   A296       1.93315   0.00000  -0.00008  -0.00001  -0.00010   1.93306
   A297       1.90665   0.00001   0.00002   0.00002   0.00004   1.90669
   A298       1.90127   0.00000   0.00007  -0.00001   0.00006   1.90133
   A299       1.90950   0.00000   0.00002   0.00001   0.00003   1.90952
   A300       1.89897   0.00000  -0.00005  -0.00001  -0.00005   1.89892
   A301       1.91422   0.00000   0.00002   0.00000   0.00003   1.91425
   A302       1.71534   0.00000  -0.00015  -0.00034  -0.00049   1.71486
   A303       1.76931   0.00001  -0.00002   0.00102   0.00100   1.77032
   A304       2.19262  -0.00001  -0.00004  -0.00010  -0.00014   2.19248
   A305       2.13020   0.00000  -0.00001   0.00003   0.00003   2.13023
   A306       1.96008   0.00001   0.00005   0.00007   0.00012   1.96020
   A307       2.12530   0.00000  -0.00007  -0.00012  -0.00019   2.12511
   A308       2.12142  -0.00001   0.00008  -0.00004   0.00005   2.12146
   A309       2.03576   0.00001  -0.00003   0.00017   0.00014   2.03590
   A310       1.36254  -0.00001  -0.00145  -0.00282  -0.00426   1.35828
   A311       2.99326  -0.00001   0.00175   0.00270   0.00444   2.99770
   A312       1.90808   0.00000   0.00011   0.00001   0.00012   1.90820
   A313       1.92904  -0.00001   0.00028  -0.00013   0.00009   1.92913
   A314       1.90429   0.00000  -0.00008  -0.00014  -0.00023   1.90405
   A315       1.91248   0.00002  -0.00031   0.00013  -0.00015   1.91234
   A316       1.91225  -0.00001   0.00000  -0.00005  -0.00004   1.91221
   A317       1.89760   0.00000  -0.00002   0.00018   0.00020   1.89780
   A318       1.71643  -0.00001   0.00063   0.00085   0.00147   1.71790
   A319       1.91366   0.00000   0.00001  -0.00007  -0.00006   1.91360
   A320       1.91467  -0.00001   0.00014  -0.00007   0.00007   1.91474
   A321       1.92479   0.00000  -0.00009   0.00003  -0.00006   1.92473
   A322       1.90499   0.00000   0.00003  -0.00011  -0.00008   1.90491
   A323       1.91124   0.00001  -0.00005   0.00011   0.00006   1.91130
   A324       1.89427   0.00001  -0.00003   0.00010   0.00007   1.89434
   A325       2.92711   0.00001   0.00017   0.00042   0.00059   2.92769
   A326       3.34702   0.00000   0.00034   0.00070   0.00104   3.34806
   A327       3.06495   0.00000   0.00035   0.00073   0.00109   3.06603
   A328       3.19566   0.00000   0.00000   0.00023   0.00023   3.19589
   A329       3.25922   0.00000   0.00069  -0.00026   0.00043   3.25965
   A330       3.25612   0.00000   0.00069  -0.00021   0.00048   3.25660
   A331       3.62767   0.00000   0.00057   0.00096   0.00153   3.62920
   A332       3.20981   0.00000  -0.00023  -0.00010  -0.00033   3.20948
   A333       3.01510   0.00000  -0.00080  -0.00068  -0.00148   3.01362
   A334       2.95203   0.00000  -0.00087  -0.00075  -0.00162   2.95041
   A335       3.22988  -0.00001   0.00048  -0.00006   0.00042   3.23030
   A336       3.08012   0.00000  -0.00017   0.00007  -0.00010   3.08002
   A337       3.10558  -0.00001  -0.00015  -0.00006  -0.00021   3.10537
   A338       3.03694   0.00000  -0.00008   0.00005  -0.00002   3.03691
    D1        2.75829   0.00000   0.00014   0.00023   0.00037   2.75866
    D2       -1.36178   0.00000   0.00000   0.00005   0.00005  -1.36173
    D3        2.78066   0.00000  -0.00011   0.00007  -0.00004   2.78062
    D4       -1.33941   0.00000  -0.00025  -0.00011  -0.00036  -1.33977
    D5        1.66368   0.00000   0.00026   0.00015   0.00041   1.66409
    D6       -2.45638   0.00000   0.00012  -0.00003   0.00009  -2.45629
    D7        1.84542   0.00000   0.00031   0.00003   0.00034   1.84576
    D8       -2.27465   0.00000   0.00017  -0.00015   0.00002  -2.27463
    D9        0.31891   0.00000   0.00035   0.00045   0.00080   0.31971
   D10        2.48203   0.00000   0.00021   0.00027   0.00048   2.48251
   D11        0.03832   0.00000   0.00017   0.00027   0.00043   0.03875
   D12        2.20143   0.00000   0.00003   0.00009   0.00011   2.20155
   D13       -0.42915   0.00000   0.00012   0.00017   0.00029  -0.42886
   D14        1.73397   0.00000  -0.00002  -0.00001  -0.00003   1.73394
   D15       -0.54797   0.00000  -0.00005   0.00017   0.00012  -0.54786
   D16        1.61514   0.00000  -0.00019  -0.00001  -0.00020   1.61494
   D17        0.22045   0.00000   0.00008   0.00012   0.00021   0.22065
   D18        2.38357   0.00000  -0.00006  -0.00006  -0.00011   2.38345
   D19        0.15739   0.00000   0.00001   0.00005   0.00006   0.15745
   D20        2.32050   0.00000  -0.00013  -0.00013  -0.00026   2.32024
   D21        2.40389   0.00000   0.00039   0.00028   0.00067   2.40455
   D22       -1.71618   0.00000   0.00025   0.00010   0.00034  -1.71584
   D23        2.15861   0.00000   0.00039   0.00032   0.00071   2.15932
   D24       -1.96146   0.00000   0.00025   0.00014   0.00039  -1.96107
   D25        1.71634   0.00000   0.00040   0.00036   0.00076   1.71710
   D26       -2.40373   0.00000   0.00026   0.00018   0.00044  -2.40328
   D27        1.40865   0.00000   0.00043   0.00040   0.00083   1.40948
   D28       -2.71142   0.00000   0.00029   0.00022   0.00051  -2.71091
   D29        2.36785   0.00000   0.00029   0.00040   0.00070   2.36855
   D30       -1.75221   0.00000   0.00015   0.00022   0.00038  -1.75184
   D31       -1.79413   0.00000   0.00083   0.00090   0.00173  -1.79240
   D32        0.36899   0.00000   0.00069   0.00072   0.00141   0.37040
   D33       -2.12845   0.00000   0.00072   0.00080   0.00152  -2.12693
   D34        0.03467   0.00000   0.00058   0.00062   0.00120   0.03587
   D35       -2.51088   0.00000   0.00084   0.00084   0.00168  -2.50920
   D36       -0.34776   0.00000   0.00069   0.00066   0.00136  -0.34640
   D37       -2.79465   0.00000   0.00088   0.00080   0.00168  -2.79296
   D38       -0.63153   0.00000   0.00074   0.00062   0.00136  -0.63017
   D39       -2.12742   0.00000   0.00044   0.00044   0.00087  -2.12655
   D40        0.03570   0.00000   0.00029   0.00026   0.00055   0.03625
   D41       -2.37104   0.00000   0.00044   0.00047   0.00090  -2.37014
   D42       -0.20792   0.00000   0.00030   0.00029   0.00058  -0.20734
   D43        1.26326   0.00000   0.00037   0.00016   0.00053   1.26379
   D44       -1.92438   0.00000   0.00058  -0.00046   0.00012  -1.92426
   D45        2.45930   0.00000   0.00056   0.00011   0.00068   2.45998
   D46       -0.72833   0.00000   0.00077  -0.00051   0.00026  -0.72807
   D47        2.94585   0.00000   0.00062   0.00000   0.00062   2.94647
   D48       -0.24178   0.00000   0.00082  -0.00062   0.00020  -0.24158
   D49        2.85563   0.00000   0.00061   0.00063   0.00125   2.85688
   D50       -0.33201   0.00000   0.00082   0.00001   0.00083  -0.33118
   D51        2.04992   0.00000   0.00050   0.00047   0.00098   2.05090
   D52       -1.13772   0.00000   0.00071  -0.00015   0.00056  -1.13715
   D53        1.17383  -0.00001   0.00033  -0.00001   0.00032   1.17415
   D54       -2.01380  -0.00001   0.00053  -0.00063  -0.00010  -2.01391
   D55        1.03336  -0.00001   0.00005   0.00001   0.00006   1.03342
   D56       -2.15427  -0.00001   0.00026  -0.00062  -0.00036  -2.15463
   D57        2.02868   0.00000   0.00036   0.00017   0.00053   2.02921
   D58       -1.15895   0.00000   0.00056  -0.00045   0.00011  -1.15884
   D59        1.83687   0.00000   0.00031   0.00008   0.00038   1.83725
   D60       -1.35077   0.00000   0.00051  -0.00055  -0.00004  -1.35080
   D61       -2.27229  -0.00001   0.00062   0.00018   0.00079  -2.27150
   D62        0.82326  -0.00001   0.00082  -0.00045   0.00038   0.82363
   D63       -2.40898   0.00000   0.00053   0.00021   0.00074  -2.40823
   D64        0.68657   0.00000   0.00074  -0.00041   0.00033   0.68690
   D65       -2.81210   0.00000   0.00052   0.00028   0.00080  -2.81131
   D66        0.28345   0.00000   0.00072  -0.00034   0.00038   0.28383
   D67       -2.98953   0.00000   0.00051   0.00024   0.00075  -2.98877
   D68        0.10602   0.00000   0.00072  -0.00038   0.00033   0.10636
   D69       -2.13358   0.00000   0.00042   0.00025   0.00068  -2.13290
   D70        0.96197   0.00000   0.00063  -0.00037   0.00026   0.96223
   D71       -0.16539   0.00000   0.00075   0.00021   0.00096  -0.16443
   D72        2.93016   0.00000   0.00096  -0.00041   0.00055   2.93071
   D73       -0.55945   0.00000   0.00074   0.00029   0.00104  -0.55841
   D74        2.53610   0.00000   0.00095  -0.00033   0.00062   2.53672
   D75       -0.75013   0.00000   0.00099   0.00067   0.00165  -0.74848
   D76        2.34542   0.00000   0.00119   0.00004   0.00123   2.34666
   D77       -1.08746   0.00000   0.00098   0.00047   0.00146  -1.08600
   D78        2.00809   0.00000   0.00119  -0.00015   0.00104   2.00914
   D79       -0.82541   0.00000   0.00053  -0.00004   0.00050  -0.82491
   D80        2.27014   0.00000   0.00074  -0.00066   0.00008   2.27022
   D81       -1.13176   0.00000   0.00054  -0.00002   0.00051  -1.13125
   D82        1.96379   0.00000   0.00074  -0.00065   0.00009   1.96388
   D83       -1.53398   0.00000   0.00016   0.00015   0.00031  -1.53368
   D84       -2.60947   0.00000   0.00030   0.00016   0.00046  -2.60902
   D85       -2.94850   0.00000   0.00008   0.00005   0.00013  -2.94836
   D86        0.73022   0.00000   0.00035   0.00043   0.00078   0.73100
   D87        0.30827   0.00000   0.00029   0.00042   0.00071   0.30898
   D88       -0.06825   0.00000   0.00034   0.00050   0.00084  -0.06742
   D89       -0.40183   0.00000   0.00017   0.00040   0.00058  -0.40125
   D90        0.18400   0.00000   0.00017   0.00027   0.00044   0.18444
   D91       -0.05257   0.00000   0.00014   0.00024   0.00038  -0.05219
   D92        2.40153   0.00000   0.00037   0.00033   0.00070   2.40223
   D93        2.05277   0.00000   0.00032   0.00032   0.00064   2.05341
   D94        1.65985   0.00000   0.00031   0.00036   0.00066   1.66052
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   D312       3.01367   0.00000  -0.00019  -0.00010  -0.00029   3.01338
   D313      -1.20088   0.00000  -0.00038   0.00001  -0.00037  -1.20125
   D314      -0.40748   0.00000  -0.00075  -0.00099  -0.00175  -0.40922
   D315       1.66116   0.00000  -0.00094  -0.00088  -0.00182   1.65934
   D316      -0.27197   0.00000  -0.00057  -0.00073  -0.00130  -0.27328
   D317       1.79666   0.00000  -0.00076  -0.00062  -0.00138   1.79528
   D318       0.14839   0.00000  -0.00055  -0.00050  -0.00105   0.14735
   D319       2.21702   0.00000  -0.00073  -0.00039  -0.00112   2.21590
   D320       0.28172   0.00000  -0.00081  -0.00080  -0.00161   0.28011
   D321       2.35035   0.00000  -0.00099  -0.00069  -0.00168   2.34867
   D322      -0.54159   0.00000  -0.00038  -0.00048  -0.00087  -0.54246
   D323       1.52704   0.00000  -0.00057  -0.00037  -0.00094   1.52610
   D324      -0.58045   0.00000  -0.00041  -0.00063  -0.00104  -0.58149
   D325       1.48818   0.00000  -0.00060  -0.00052  -0.00112   1.48706
   D326       0.03370   0.00000   0.00042   0.00062   0.00105   0.03475
   D327       2.21869   0.00000   0.00036   0.00087   0.00123   2.21991
   D328       0.34547   0.00001   0.00027   0.00051   0.00077   0.34624
   D329       2.53046   0.00001   0.00020   0.00075   0.00095   2.53141
   D330       0.70590   0.00000   0.00024   0.00062   0.00086   0.70675
   D331       2.89089   0.00000   0.00017   0.00087   0.00104   2.89192
   D332       0.98348   0.00001   0.00020   0.00067   0.00087   0.98434
   D333      -3.11472   0.00001   0.00013   0.00092   0.00105  -3.11367
   D334       0.29809   0.00000   0.00003   0.00020   0.00023   0.29832
   D335       2.48308   0.00001  -0.00004   0.00045   0.00041   2.48349
   D336       0.67560   0.00000   0.00009   0.00037   0.00046   0.67606
   D337       2.86059   0.00000   0.00003   0.00061   0.00064   2.86123
   D338      -2.37496   0.00000   0.00029   0.00039   0.00069  -2.37427
   D339      -0.18997   0.00000   0.00023   0.00064   0.00087  -0.18910
   D340      -1.99139   0.00000   0.00014   0.00024   0.00039  -1.99100
   D341       0.19360   0.00000   0.00008   0.00049   0.00057   0.19417
   D342      -1.94922   0.00000   0.00006   0.00031   0.00037  -1.94885
   D343       0.23577   0.00000  -0.00001   0.00055   0.00055   0.23631
   D344      -1.65753   0.00000  -0.00001   0.00047   0.00046  -1.65707
   D345       0.52746   0.00000  -0.00007   0.00071   0.00064   0.52810
   D346      -1.61042   0.00000   0.00006   0.00003   0.00009  -1.61033
   D347       0.57457   0.00000  -0.00001   0.00027   0.00027   0.57484
   D348      -1.30742   0.00000  -0.00002  -0.00002  -0.00004  -1.30747
   D349       0.87756   0.00000  -0.00009   0.00022   0.00014   0.87770
   D350       1.77983   0.00000   0.00040   0.00095   0.00136   1.78118
   D351      -2.31837   0.00000   0.00034   0.00120   0.00154  -2.31683
   D352       2.19832   0.00000   0.00061   0.00129   0.00189   2.20021
   D353      -1.89988   0.00000   0.00054   0.00153   0.00207  -1.89781
   D354       2.39748   0.00000   0.00114   0.00234   0.00349   2.40097
   D355      -1.70072   0.00000   0.00108   0.00259   0.00367  -1.69705
   D356       3.04561   0.00000   0.00132   0.00186   0.00318   3.04879
   D357      -1.05258   0.00000   0.00126   0.00211   0.00336  -1.04923
   D358       2.54208   0.00000   0.00047   0.00086   0.00133   2.54341
   D359      -1.55612   0.00000   0.00041   0.00111   0.00152  -1.55460
   D360       1.61563  -0.00001  -0.00003  -0.00015  -0.00017   1.61546
   D361      -2.48256   0.00000  -0.00009   0.00009   0.00001  -2.48256
   D362       1.77269   0.00000   0.00040   0.00071   0.00111   1.77379
   D363      -2.32551   0.00000   0.00034   0.00095   0.00129  -2.32423
   D364       2.74090   0.00000  -0.00007   0.00010   0.00003   2.74093
   D365      -1.35730   0.00000  -0.00014   0.00035   0.00021  -1.35709
   D366       2.71266   0.00000   0.00015   0.00049   0.00065   2.71331
   D367      -1.38554   0.00000   0.00009   0.00074   0.00083  -1.38471
   D368       0.03584   0.00000  -0.00028  -0.00020  -0.00048   0.03536
   D369      -2.66195   0.00000   0.00228   0.00371   0.00600  -2.65595
   D370       0.43545   0.00001  -0.00030  -0.00016  -0.00047   0.43499
   D371      -2.26233   0.00001   0.00226   0.00375   0.00600  -2.25632
   D372       0.64024   0.00000  -0.00020  -0.00002  -0.00021   0.64003
   D373      -2.05754   0.00000   0.00236   0.00390   0.00626  -2.05128
   D374       0.91174   0.00001  -0.00013   0.00008  -0.00005   0.91169
   D375      -1.78604   0.00001   0.00243   0.00399   0.00642  -1.77962
   D376       0.68588   0.00000  -0.00048  -0.00038  -0.00086   0.68502
   D377      -2.01190   0.00000   0.00208   0.00353   0.00561  -2.00629
   D378       1.02256   0.00000  -0.00044  -0.00029  -0.00074   1.02182
   D379      -1.67522   0.00000   0.00211   0.00362   0.00573  -1.66949
   D380      -2.79437   0.00000   0.00008   0.00005   0.00013  -2.79424
   D381       0.79103   0.00000   0.00264   0.00396   0.00660   0.79763
   D382      -2.23232   0.00000  -0.00006  -0.00016  -0.00023  -2.23255
   D383       1.35308   0.00000   0.00250   0.00375   0.00624   1.35932
   D384      -1.97973   0.00000  -0.00047  -0.00049  -0.00096  -1.98068
   D385       1.60567   0.00000   0.00209   0.00342   0.00552   1.61119
   D386      -1.64350   0.00000  -0.00070  -0.00056  -0.00126  -1.64477
   D387       1.94190   0.00000   0.00186   0.00335   0.00521   1.94711
   D388      -1.69848   0.00000  -0.00035  -0.00062  -0.00097  -1.69945
   D389       1.88693   0.00000   0.00221   0.00329   0.00550   1.89243
   D390      -1.08726   0.00000  -0.00122  -0.00138  -0.00259  -1.08985
   D391       2.49814   0.00000   0.00134   0.00253   0.00388   2.50203
   D392       1.77910   0.00000  -0.00047  -0.00035  -0.00083   1.77827
   D393      -0.91869   0.00000   0.00209   0.00356   0.00565  -0.91304
   D394       2.07715   0.00000  -0.00044  -0.00026  -0.00070   2.07645
   D395      -0.62063   0.00000   0.00212   0.00365   0.00577  -0.61486
   D396       2.01781   0.00000  -0.00037  -0.00004  -0.00041   2.01740
   D397      -0.67997   0.00000   0.00219   0.00387   0.00606  -0.67391
   D398       2.21327   0.00000  -0.00023  -0.00002  -0.00025   2.21302
   D399      -0.48452   0.00000   0.00233   0.00389   0.00622  -0.47829
   D400       2.48051   0.00000  -0.00049  -0.00032  -0.00081   2.47970
   D401      -0.21727   0.00000   0.00207   0.00359   0.00566  -0.21161
   D402      -1.50836   0.00000  -0.00081  -0.00128  -0.00208  -1.51044
   D403       2.07705   0.00000   0.00175   0.00263   0.00439   2.08144
   D404      -2.60998   0.00000  -0.00084  -0.00100  -0.00184  -2.61181
   D405       0.97543   0.00000   0.00172   0.00291   0.00463   0.98006
   D406      -2.97790   0.00000  -0.00066  -0.00065  -0.00131  -2.97921
   D407       0.60751   0.00000   0.00190   0.00326   0.00516   0.61267
   D408       1.87981   0.00000   0.00041   0.00043   0.00084   1.88064
   D409       2.36834   0.00001   0.00041   0.00063   0.00104   2.36939
   D410       2.60125   0.00000   0.00041   0.00063   0.00104   2.60229
   D411       2.83583   0.00000   0.00054   0.00072   0.00126   2.83709
   D412       2.77841   0.00000   0.00047   0.00097   0.00144   2.77985
   D413      -3.00670   0.00001   0.00052   0.00119   0.00171  -3.00499
   D414      -0.78187   0.00000   0.00036   0.00033   0.00069  -0.78118
   D415      -0.40056   0.00000   0.00039   0.00030   0.00068  -0.39987
   D416      -0.09228   0.00000   0.00030   0.00032   0.00062  -0.09166
   D417       0.21680   0.00000   0.00032   0.00032   0.00065   0.21745
   D418      -0.26272   0.00000   0.00047   0.00026   0.00074  -0.26198
   D419       0.05420   0.00000   0.00039   0.00007   0.00045   0.05465
   D420      -2.59318   0.00000   0.00029   0.00045   0.00074  -2.59243
   D421      -2.21023   0.00000   0.00032   0.00046   0.00078  -2.20945
   D422      -1.97056   0.00000   0.00039   0.00064   0.00103  -1.96953
   D423      -1.65381   0.00000   0.00041   0.00052   0.00093  -1.65288
   D424      -1.99056   0.00000   0.00028   0.00027   0.00055  -1.99000
   D425       1.34629   0.00000  -0.00027  -0.00044  -0.00071   1.34558
   D426       2.49244  -0.00001  -0.00026  -0.00039  -0.00065   2.49179
   D427       2.95381   0.00000   0.00001   0.00016   0.00017   2.95398
   D428      -3.06983   0.00001   0.00049   0.00081   0.00131  -3.06852
   D429       0.02806   0.00001   0.00008   0.00029   0.00037   0.02843
   D430       0.04339   0.00000   0.00075   0.00062   0.00137   0.04475
   D431       3.14128   0.00000   0.00034   0.00009   0.00043  -3.14147
   D432      -0.08344   0.00001   0.00090   0.00020   0.00110  -0.08235
   D433       2.01587   0.00001   0.00065  -0.00002   0.00063   2.01650
   D434      -2.18112   0.00001   0.00078   0.00015   0.00093  -2.18019
   D435       3.09958   0.00001   0.00129   0.00070   0.00199   3.10157
   D436      -1.08430   0.00001   0.00104   0.00048   0.00153  -1.08277
   D437       1.00190   0.00001   0.00118   0.00065   0.00183   1.00373
   D438      -2.36574   0.00000   0.00077   0.00042   0.00119  -2.36455
   D439      -0.27501   0.00000   0.00078   0.00043   0.00121  -0.27380
   D440       1.83234   0.00000   0.00081   0.00037   0.00118   1.83352
   D441       0.73436   0.00000   0.00038  -0.00009   0.00029   0.73465
   D442       2.82510   0.00000   0.00039  -0.00008   0.00031   2.82541
   D443      -1.35074   0.00000   0.00042  -0.00013   0.00028  -1.35046
   D444      -0.00033  -0.00001  -0.00012  -0.00026  -0.00038  -0.00071
   D445       3.11628  -0.00001  -0.00002  -0.00002  -0.00004   3.11623
   D446      -3.12009  -0.00001  -0.00011  -0.00035  -0.00045  -3.12054
   D447      -0.00349  -0.00001  -0.00001  -0.00010  -0.00012  -0.00361
   D448       2.42966   0.00000  -0.00062   0.00039  -0.00023   2.42943
   D449      -1.76872   0.00000  -0.00066   0.00036  -0.00030  -1.76902
   D450       0.33934   0.00000  -0.00069   0.00036  -0.00033   0.33901
   D451      -0.68814   0.00000  -0.00070   0.00015  -0.00055  -0.68869
   D452       1.39666   0.00000  -0.00075   0.00013  -0.00062   1.39604
   D453      -2.77847   0.00000  -0.00078   0.00013  -0.00065  -2.77912
   D454       2.05833   0.00001   0.00005  -0.00016  -0.00010   2.05823
   D455      -2.14010   0.00000   0.00008  -0.00020  -0.00012  -2.14022
   D456      -0.04703   0.00000   0.00007  -0.00019  -0.00011  -0.04714
   D457      -1.10703   0.00001   0.00014   0.00007   0.00021  -1.10682
   D458       0.97773   0.00000   0.00017   0.00003   0.00020   0.97792
   D459       3.07080   0.00001   0.00016   0.00004   0.00021   3.07100
   D460      -3.08333  -0.00002  -0.00026  -0.00052  -0.00078  -3.08411
   D461      -0.02477  -0.00002  -0.00022  -0.00040  -0.00063  -0.02540
   D462       0.07140  -0.00001  -0.00020  -0.00043  -0.00063   0.07077
   D463       3.12997  -0.00001  -0.00017  -0.00032  -0.00049   3.12948
   D464       1.92886   0.00002   0.00014   0.00075   0.00089   1.92976
   D465      -2.27034   0.00000   0.00013   0.00060   0.00073  -2.26960
   D466      -0.17823   0.00001   0.00020   0.00066   0.00086  -0.17737
   D467      -1.13299   0.00002   0.00010   0.00063   0.00073  -1.13226
   D468       0.95099   0.00001   0.00008   0.00049   0.00058   0.95157
   D469       3.04309   0.00002   0.00016   0.00055   0.00070   3.04380
   D470      -1.63592  -0.00001  -0.00084  -0.00011  -0.00095  -1.63687
   D471       0.46855  -0.00001  -0.00085  -0.00010  -0.00096   0.46760
   D472       2.55925  -0.00001  -0.00077  -0.00009  -0.00086   2.55838
   D473       1.42629  -0.00001  -0.00079   0.00000  -0.00080   1.42550
   D474      -2.75242  -0.00001  -0.00081   0.00001  -0.00080  -2.75322
   D475      -0.66173  -0.00001  -0.00073   0.00002  -0.00071  -0.66244
   D476       0.00380   0.00000  -0.00028   0.00022  -0.00005   0.00375
   D477      -3.09616   0.00000   0.00014  -0.00004   0.00010  -3.09606
   D478       3.12012   0.00000  -0.00025   0.00029   0.00005   3.12016
   D479       0.02015   0.00000   0.00017   0.00004   0.00020   0.02035
   D480      -0.31379  -0.00001  -0.00138  -0.00321  -0.00459  -0.31839
   D481       1.79271   0.00001  -0.00151  -0.00312  -0.00464   1.78807
   D482      -2.40476   0.00000  -0.00141  -0.00307  -0.00448  -2.40924
   D483       2.78811  -0.00001  -0.00178  -0.00298  -0.00474   2.78337
   D484      -1.38857   0.00001  -0.00191  -0.00288  -0.00479  -1.39336
   D485       0.69715   0.00000  -0.00180  -0.00283  -0.00463   0.69251
   D486       0.01311   0.00001  -0.00098   0.00013  -0.00085   0.01225
   D487       2.10492   0.00000  -0.00086  -0.00009  -0.00094   2.10398
   D488      -2.09276   0.00000  -0.00087   0.00001  -0.00085  -2.09361
   D489      -3.08889   0.00001  -0.00059  -0.00011  -0.00070  -3.08959
   D490      -0.99708   0.00000  -0.00046  -0.00033  -0.00079  -0.99787
   D491       1.08843   0.00000  -0.00047  -0.00022  -0.00070   1.08773
         Item               Value     Threshold  Converged?
 Maximum Force            0.000029     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.010129     0.001800     NO 
 RMS     Displacement     0.001042     0.001200     YES
 Predicted change in Energy=-4.940895D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:02:51 2016, MaxMem=  2952790016 cpu:         5.7
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.837031   -0.614407    1.688249
      2          6           0       -2.116713    1.090992   -1.340514
      3          8           0       -2.662460    0.103797   -1.863969
      4          7           0       -0.821318    1.151078   -0.928389
      5          1           0       -2.671327    2.028332   -1.134643
      6          6           0       -0.287051    2.326300   -0.239508
      7          1           0       -1.051129    3.115399   -0.207425
      8          1           0        0.003552    2.054908    0.788281
      9          1           0        0.602070    2.700196   -0.773008
     10          6           0        0.097786    0.023518   -1.100690
     11          1           0        0.670663   -0.120229   -0.171130
     12          1           0       -0.477039   -0.885436   -1.321243
     13          1           0        0.803227    0.224099   -1.923920
     14          6           0       -1.981643   -4.034142    2.613504
     15          8           0       -2.112914   -3.891575    3.841231
     16          7           0       -2.919793   -3.727030    1.676773
     17          1           0       -1.044808   -4.418324    2.163285
     18          6           0       -4.226576   -3.177457    2.046488
     19          1           0       -4.496292   -2.386439    1.328805
     20          1           0       -5.001372   -3.961674    2.016784
     21          1           0       -4.171932   -2.754152    3.057838
     22          6           0       -2.662915   -3.900635    0.246762
     23          1           0       -3.364932   -4.635020   -0.181183
     24          1           0       -2.801476   -2.938585   -0.273765
     25          1           0       -1.631429   -4.248695    0.096468
     26          6           0        1.532887    0.378895    2.628568
     27          8           0        1.353542    1.391517    3.326355
     28          7           0        1.166999   -0.887533    2.966738
     29          1           0        2.011849    0.428917    1.630847
     30          6           0        1.483007   -2.031526    2.110842
     31          1           0        2.242557   -2.671747    2.590220
     32          1           0        0.575439   -2.633832    1.944702
     33          1           0        1.861097   -1.673445    1.143521
     34          6           0        0.529502   -1.175259    4.254313
     35          1           0        1.281427   -1.472288    5.005225
     36          1           0       -0.000749   -0.280024    4.603514
     37          1           0       -0.184839   -2.000850    4.122299
     38          6           0       -4.589432    1.249541    2.883477
     39          8           0       -4.828142    1.897547    1.850442
     40          7           0       -3.496992    1.403065    3.680963
     41          1           0       -5.261965    0.443582    3.241265
     42          6           0       -2.458468    2.393091    3.384151
     43          1           0       -2.538106    2.699286    2.333021
     44          1           0       -2.568498    3.276181    4.035472
     45          1           0       -1.469879    1.942711    3.563023
     46          6           0       -3.276525    0.551034    4.849725
     47          1           0       -4.093232   -0.179269    4.933741
     48          1           0       -2.319967    0.013049    4.742550
     49          1           0       -3.233892    1.162668    5.765843
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487122   0.000000
     3  O    3.716908   1.243544   0.000000
     4  N    3.315932   1.360700   2.315580   0.000000
     5  H    3.955861   1.108416   2.058114   2.057825   0.000000
     6  C    3.842714   2.466954   3.636064   1.463265   2.564141
     7  H    4.257074   2.552956   3.796087   2.105032   2.160206
     8  H    3.364956   3.155380   4.236613   2.108145   3.294437
     9  H    4.795164   3.209888   4.311455   2.109489   3.361147
    10  C    3.453787   2.470025   2.864961   1.464866   3.418833
    11  H    3.160702   3.256375   3.745077   2.101350   4.088223
    12  H    3.313620   2.568106   2.459512   2.102440   3.652364
    13  H    4.552122   3.101276   3.468293   2.118848   3.993837
    14  C    3.545644   6.474527   6.134641   6.385754   7.160856
    15  O    3.930810   7.188635   6.986723   7.060159   7.753479
    16  N    3.295591   5.741280   5.222864   5.914930   6.410147
    17  H    3.914468   6.616507   6.267787   6.373903   7.421675
    18  C    3.522426   5.843199   5.338985   6.259544   6.295922
    19  H    3.215738   4.988005   4.445000   5.578027   5.374875
    20  H    4.617919   6.717302   6.087594   7.230983   7.158266
    21  H    3.450513   6.193106   5.888172   6.509028   6.534590
    22  C    3.682290   5.266320   4.526661   5.503840   6.087774
    23  H    4.689839   5.974054   5.077561   6.364528   6.766863
    24  H    3.190840   4.224258   3.435719   4.590741   5.042650
    25  H    3.972919   5.550917   4.883700   5.555552   6.480593
    26  C    3.636922   5.438775   6.153009   4.334800   5.878589
    27  O    4.109365   5.823457   6.687747   4.784420   6.041986
    28  N    3.276176   5.766259   6.243655   4.825075   6.329007
    29  H    3.988195   5.129557   5.845393   3.885620   5.669056
    30  C    3.634483   5.883873   6.127286   4.967475   6.653879
    31  H    4.657170   6.972238   7.183498   6.031743   7.753167
    32  H    3.156558   5.649305   5.699525   4.952891   6.462169
    33  H    3.885157   5.443852   5.715432   4.412040   6.279813
    34  C    3.535494   6.590936   7.018403   5.839260   7.039115
    35  H    4.632825   7.641084   8.076145   6.819924   8.097937
    36  H    3.461577   6.456660   7.004311   5.772637   6.736983
    37  H    3.252162   6.567645   6.812016   5.987421   7.074770
    38  C    3.532504   4.897099   5.250161   5.360849   4.520059
    39  O    3.909344   4.264339   4.658816   4.932926   3.685063
    40  N    3.285814   5.217068   5.755938   5.335621   4.925723
    41  H    3.906580   5.595038   5.739015   6.132365   5.326482
    42  C    3.508178   4.912710   5.729332   4.777118   4.538486
    43  H    3.447869   4.032251   4.936270   3.997638   3.534490
    44  H    4.602301   5.820686   6.698974   5.675263   5.319566
    45  H    3.191932   5.018814   5.852871   4.606527   4.849626
    46  C    3.664059   6.321059   6.756537   6.306718   6.193653
    47  H    3.976557   6.699736   6.952416   6.843961   6.612155
    48  H    3.155262   6.181176   6.616013   5.974998   6.223038
    49  H    4.662187   7.193993   7.724104   7.115714   6.977289
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098872   0.000000
     8  H    1.102023   1.796781   0.000000
     9  H    1.102251   1.795924   1.792274   0.000000
    10  C    2.488482   3.417259   2.775542   2.743407   0.000000
    11  H    2.628193   3.665402   2.469156   2.884746   1.101331
    12  H    3.394333   4.192475   3.650573   3.784415   1.097846
    13  H    2.906062   3.839870   3.368586   2.737903   1.102536
    14  C    7.174018   7.742056   6.659501   7.968396   5.880804
    15  O    7.658210   8.161905   7.011461   8.491983   6.681147
    16  N    6.873592   7.339001   6.539584   7.727495   5.557579
    17  H    7.199831   7.897930   6.700181   7.874475   5.629299
    18  C    7.144017   7.400245   6.845050   8.112471   6.233063
    19  H    6.510548   6.670786   6.345575   7.502318   5.728516
    20  H    8.176447   8.404551   7.921978   9.141226   7.183439
    21  H    7.195539   7.406280   6.761110   8.198560   6.575659
    22  C    6.682507   7.213104   6.547654   7.434449   4.983580
    23  H    7.611618   8.088472   7.552594   8.360189   5.876894
    24  H    5.834597   6.302289   5.825040   6.605242   4.226533
    25  H    6.719434   7.393171   6.548830   7.350619   4.761846
    26  C    3.915409   4.712584   2.921394   4.222035   4.011630
    27  O    4.034940   4.608884   2.950318   4.368309   4.800736
    28  N    4.766865   5.569458   3.841515   5.213122   4.303161
    29  H    3.518982   4.469705   2.717908   3.595094   3.359952
    30  C    5.258127   6.187653   4.542785   5.610867   4.056597
    31  H    6.275887   7.222620   5.531852   6.546775   5.048495
    32  H    5.487948   6.350672   4.862987   5.986527   4.069898
    33  H    4.746080   5.765340   4.180584   4.938317   3.320456
    34  C    5.755180   6.388681   4.766967   6.348100   5.504498
    35  H    6.663079   7.325259   5.644173   7.159548   6.396924
    36  H    5.507246   5.981415   4.473022   6.176738   5.713124
    37  H    6.144920   6.758178   5.253602   6.832503   5.608703
    38  C    5.424290   5.055165   5.112139   6.513523   6.272697
    39  O    5.017293   4.470326   4.949567   6.083909   6.040359
    40  N    5.150357   4.902438   4.587627   6.190535   6.139201
    41  H    6.356900   6.063268   6.028198   7.456112   6.910568
    42  C    4.224976   3.924507   3.593669   5.171381   5.680063
    43  H    3.438644   2.972898   3.043267   4.416801   5.089012
    44  H    4.937887   4.508929   4.318703   5.788415   6.638452
    45  H    4.000683   3.970747   3.143689   4.864969   5.281202
    46  C    6.163507   6.091234   5.432851   7.160833   6.860881
    47  H    6.894011   6.822083   6.241796   7.931215   7.349837
    48  H    5.857028   5.978024   5.020375   6.795619   6.323692
    49  H    6.789857   6.652635   6.004437   7.735320   7.716671
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795973   0.000000
    13  H    1.791202   1.798157   0.000000
    14  C    5.487041   5.259317   6.817355   0.000000
    15  O    6.170121   6.193875   7.660262   1.242928   0.000000
    16  N    5.414344   4.798937   6.514390   1.360848   2.315817
    17  H    5.183238   4.994556   6.455429   1.108130   2.057624
    18  C    6.184450   5.536606   7.254905   2.468834   2.863326
    19  H    5.838060   5.042833   6.743889   3.269379   3.776004
    20  H    7.191359   6.408997   8.169651   3.078976   3.417120
    21  H    6.388624   6.026665   7.644612   2.575495   2.479312
    22  C    5.057553   4.040806   5.808565   2.466460   3.636315
    23  H    6.055532   4.868166   6.634887   3.175661   4.277859
    24  H    4.473188   3.273475   5.071436   3.195105   4.279661
    25  H    4.734497   3.828058   5.478632   2.550324   3.792442
    26  C    2.971678   4.608617   4.613189   5.641546   5.744505
    27  O    3.870931   5.489600   5.406579   6.408540   6.339754
    28  N    3.268229   4.592346   5.028577   4.465408   4.532862
    29  H    2.312459   4.078839   3.760197   6.068977   6.369154
    30  C    3.085507   4.115156   4.672178   4.033229   4.402803
    31  H    4.075064   5.087892   5.552932   4.438527   4.692881
    32  H    3.286946   3.851103   4.815173   2.991125   3.522213
    33  H    2.357524   3.487535   3.758851   4.743457   5.290605
    34  C    4.551655   5.673089   6.340637   4.143828   3.812004
    35  H    5.384770   6.592480   7.149787   4.788637   4.327745
    36  H    4.824268   5.974623   6.596052   4.688015   4.252719
    37  H    4.764678   5.564322   6.517932   3.104713   2.715016
    38  C    6.235022   6.256962   7.296805   5.898369   5.786321
    39  O    6.196373   6.061079   6.982732   6.623425   6.696987
    40  N    5.876087   6.275302   7.162161   5.744473   5.474903
    41  H    6.867197   6.743759   7.969558   5.586108   5.391666
    42  C    5.361741   6.067581   6.596877   6.490807   6.310733
    43  H    4.951429   5.518322   5.950849   6.762202   6.774580
    44  H    6.302640   7.098426   7.496538   7.470422   7.184846
    45  H    4.773002   5.730637   6.182813   6.073405   5.876205
    46  C    6.421828   6.926862   7.914135   5.263196   4.701896
    47  H    6.982685   7.259500   8.435966   4.970146   4.347005
    48  H    5.753771   6.401034   7.364828   4.585526   4.012647
    49  H    7.220736   7.875389   8.735656   6.205819   5.523232
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056733   0.000000
    18  C    1.465061   3.417169   0.000000
    19  H    2.098479   4.091168   1.101601   0.000000
    20  H    2.122178   3.985523   1.102808   1.791587   0.000000
    21  H    2.102781   3.653574   1.097726   1.797214   1.797185
    22  C    1.463234   2.561120   2.491392   2.612446   2.933442
    23  H    2.115324   3.305521   2.798114   2.935329   2.821770
    24  H    2.107188   3.348839   2.733412   2.396977   3.336595
    25  H    2.104609   2.155141   3.418321   3.632367   3.889281
    26  C    6.131141   5.465740   6.793959   6.759251   7.868377
    27  O    6.868918   6.392110   7.324705   7.244565   8.411692
    28  N    5.140877   4.243125   5.931380   6.082961   6.957123
    29  H    6.449426   5.755206   7.217801   7.097420   8.283206
    30  C    4.737910   3.476982   5.823800   6.040660   6.766202
    31  H    5.347696   3.746942   6.511610   6.861826   7.380193
    32  H    3.671990   2.420205   4.833761   5.114977   5.733165
    33  H    5.230533   4.125356   6.335390   6.399929   7.286430
    34  C    5.005285   4.167532   5.612804   5.940047   6.584923
    35  H    5.814868   4.708197   6.480727   6.908963   7.389275
    36  H    5.382238   4.916331   5.726353   5.947320   6.726957
    37  H    4.054660   3.228229   4.693510   5.151788   5.610438
    38  C    5.386101   6.723669   4.520014   3.955506   5.298831
    39  O    5.942039   7.368970   5.114292   4.328368   5.864141
    40  N    5.537852   6.496547   4.917823   4.570732   5.814901
    41  H    5.032634   6.525686   3.951132   3.500396   4.579687
    42  C    6.370544   7.062883   5.995544   5.587583   6.979905
    43  H    6.471003   7.274554   6.121205   5.541439   7.108873
    44  H    7.398096   8.064250   6.953756   6.565646   7.898133
    45  H    6.148670   6.527076   6.009607   5.735194   7.051528
    46  C    5.338231   6.073882   4.760502   4.744835   5.600463
    47  H    4.956955   5.910829   4.164509   4.246130   4.862092
    48  H    4.873086   5.283532   4.591649   4.706123   5.515266
    49  H    6.381872   6.994139   5.801354   5.820405   6.590774
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390237   0.000000
    23  H    3.831472   1.102401   0.000000
    24  H    3.607180   1.102582   1.789957   0.000000
    25  H    4.178221   1.098953   1.797601   1.795124   0.000000
    26  C    6.522670   6.449196   7.551337   6.181903   6.151344
    27  O    6.912998   7.322752   8.419381   6.998202   7.152218
    28  N    5.656567   5.580797   6.670193   5.518738   5.231354
    29  H    7.099816   6.520286   7.605044   6.175413   6.124366
    30  C    5.779042   4.914980   5.961047   4.986573   4.321257
    31  H    6.432039   5.573653   6.555841   5.806538   4.869634
    32  H    4.877610   3.869719   4.904148   4.051917   3.300610
    33  H    6.421058   5.121644   6.151191   5.034766   4.463852
    34  C    5.101758   5.803418   6.841798   5.891369   5.603866
    35  H    5.930818   6.640607   7.647899   6.832851   6.347367
    36  H    5.090107   6.259172   7.292260   6.220922   6.222776
    37  H    4.194931   4.976930   5.964210   5.201107   4.832468
    38  C    4.029177   6.098200   6.746821   5.541242   6.837236
    39  O    4.850435   6.393662   6.995922   5.657544   7.146446
    40  N    4.257497   6.373276   7.168827   5.913843   6.947757
    41  H    3.383388   5.881694   6.411246   5.463377   6.714760
    42  C    5.434753   7.035338   7.932693   6.474934   7.456955
    43  H    5.738879   6.922934   7.797238   6.216936   7.355181
    44  H    6.315986   8.116028   9.000088   7.566183   8.545034
    45  H    5.442134   6.823900   7.802362   6.349893   7.097648
    46  C    3.864824   6.432817   7.225857   6.217175   6.952496
    47  H    3.186726   6.153221   6.822506   6.033289   6.783798
    48  H    3.731679   5.970481   6.851252   5.840155   6.342131
    49  H    4.853316   7.511544   8.306472   7.313284   7.999534
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242769   0.000000
    28  N    1.360909   2.314777   0.000000
    29  H    1.107860   2.057842   2.057041   0.000000
    30  C    2.465899   3.634757   1.463263   2.562001   0.000000
    31  H    3.132334   4.224021   2.117076   3.253881   1.102996
    32  H    3.234332   4.326412   2.108094   3.397383   1.101841
    33  H    2.554445   3.796890   2.103224   2.163363   1.098583
    34  C    2.462767   2.851050   1.465277   3.413694   2.497365
    35  H    3.023014   3.320420   2.123785   3.941387   2.954799
    36  H    2.585851   2.501857   2.100414   3.659221   3.388614
    37  H    3.293175   3.808976   2.098157   4.115403   2.613161
    38  C    6.189168   5.961144   6.140889   6.769005   6.945278
    39  O    6.585931   6.375547   6.704066   6.999327   7.438819
    40  N    5.239861   4.863493   5.244976   5.958127   6.249967
    41  H    6.822727   6.683618   6.571058   7.449969   7.273147
    42  C    4.534182   3.941816   4.907213   5.188043   6.060840
    43  H    4.695163   4.223967   5.195640   5.133198   6.212834
    44  H    5.214883   4.408764   5.694966   5.904974   6.949147
    45  H    3.512169   2.886439   3.913944   4.259966   5.159740
    46  C    5.300341   4.946170   5.035873   6.192172   6.068298
    47  H    6.105620   5.892233   5.660457   6.967856   6.518747
    48  H    4.409903   4.171385   4.015406   5.349792   5.056559
    49  H    5.760120   5.200772   5.604119   6.719701   6.768386
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788131   0.000000
    33  H    1.798626   1.793642   0.000000
    34  C    2.818375   2.732004   3.420287   0.000000
    35  H    2.862642   3.348791   3.910146   1.103398   0.000000
    36  H    3.847871   3.597456   4.168890   1.097521   1.796341
    37  H    2.947816   2.391781   3.628522   1.099687   1.791332
    38  C    7.882802   6.529761   7.292505   5.827721   6.810077
    39  O    8.451065   7.052728   7.615619   6.627600   7.657368
    40  N    7.122937   5.991313   6.679270   4.815510   5.731894
    41  H    8.151501   6.725090   7.721421   6.098196   7.042591
    42  C    6.955756   6.045375   6.341592   4.734793   5.617459
    43  H    7.195060   6.187658   6.315749   5.302234   6.255521
    44  H    7.785425   7.013124   7.244549   5.427781   6.189531
    45  H    6.001811   5.267545   5.479596   3.767909   4.616475
    46  C    6.778786   5.781017   6.714121   4.221427   4.989282
    47  H    7.200469   6.062650   7.214733   4.777373   5.528469
    48  H    5.714654   4.818434   5.768758   3.125688   3.904518
    49  H    7.401271   6.597388   7.440989   4.681213   5.282957
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796302   0.000000
    38  C    5.133626   5.612500   0.000000
    39  O    5.968664   6.474496   1.242600   0.000000
    40  N    3.988434   4.769882   1.361242   2.316739   0.000000
    41  H    5.482675   5.703391   1.109001   2.058302   2.056470
    42  C    3.830505   5.002096   2.469694   2.865865   1.465190
    43  H    4.524335   5.552537   2.571517   2.473850   2.101571
    44  H    4.422963   5.791064   3.085212   3.432343   2.120458
    45  H    2.860334   4.185186   3.267091   3.770001   2.101028
    46  C    3.388508   4.074283   2.465313   3.635425   1.463068
    47  H    4.107021   4.387725   2.547802   3.789457   2.104456
    48  H    2.341793   2.999879   3.183636   4.266915   2.108198
    49  H    3.726336   4.691034   3.186388   4.290926   2.115121
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417688   0.000000
    43  H    3.651372   1.097712   0.000000
    44  H    3.988627   1.102803   1.797796   0.000000
    45  H    4.090334   1.100976   1.796224   1.791177   0.000000
    46  C    2.557472   2.492047   3.390288   2.930996   2.618461
    47  H    2.149035   3.419169   4.179502   3.882246   3.641929
    48  H    3.330851   2.743907   3.615146   3.348097   2.416097
    49  H    3.317176   2.790641   3.824863   2.811382   2.927905
                   46         47         48         49
    46  C    0.000000
    47  H    1.098823   0.000000
    48  H    1.102686   1.793882   0.000000
    49  H    1.102354   1.797680   1.789975   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143652      0.1933694      0.1843325
 Leave Link  202 at Mon Nov 14 02:02:51 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1045275661 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839867035 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9205408626 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4027
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.12D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     208
 GePol: Fraction of low-weight points (<1% of avg)   =       5.17%
 GePol: Cavity surface area                          =    466.917 Ang**2
 GePol: Cavity volume                                =    457.862 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040153802 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9165254823 Hartrees.
 Leave Link  301 at Mon Nov 14 02:02:51 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37489.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:02:52 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:02:53 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000088    0.000762   -0.000147
         Rot=    1.000000   -0.000023    0.000004   -0.000049 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 02:02:53 2016, MaxMem=  2952790016 cpu:         6.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48650187.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.02D-14 for   3551.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.96D-15 for   2123    907.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   3551.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.86D-12 for   1946   1943.
 E= -1013.45127521648    
 DIIS: error= 6.56D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45127521648     IErMin= 1 ErrMin= 6.56D-05
 ErrMax= 6.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.78D-06 BMatP= 5.78D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=5.31D-04              OVMax= 7.35D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.35D-05    CP:  1.00D+00
 E= -1013.45128521991     Delta-E=       -0.000010003423 Rises=F Damp=F
 DIIS: error= 1.04D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128521991     IErMin= 2 ErrMin= 1.04D-05
 ErrMax= 1.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.53D-08 BMatP= 5.78D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.206D-01 0.979D+00
 Coeff:      0.206D-01 0.979D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.59D-06 MaxDP=1.51D-04 DE=-1.00D-05 OVMax= 2.25D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.55D-06    CP:  1.00D+00  9.76D-01
 E= -1013.45128490483     Delta-E=        0.000000315078 Rises=F Damp=F
 DIIS: error= 3.42D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128521991     IErMin= 2 ErrMin= 1.04D-05
 ErrMax= 3.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.84D-07 BMatP= 9.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.220D-02 0.704D+00 0.294D+00
 Coeff:      0.220D-02 0.704D+00 0.294D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=1.30D-04 DE= 3.15D-07 OVMax= 2.05D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.18D-07    CP:  1.00D+00  9.87D-01  3.23D-01
 E= -1013.45128528778     Delta-E=       -0.000000382954 Rises=F Damp=F
 DIIS: error= 6.71D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128528778     IErMin= 4 ErrMin= 6.71D-06
 ErrMax= 6.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-08 BMatP= 9.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.731D-04 0.279D+00 0.183D+00 0.538D+00
 Coeff:     -0.731D-04 0.279D+00 0.183D+00 0.538D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.11D-07 MaxDP=2.16D-05 DE=-3.83D-07 OVMax= 4.35D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.15D-07    CP:  1.00D+00  9.88D-01  3.66D-01  5.94D-01
 E= -1013.45128530091     Delta-E=       -0.000000013128 Rises=F Damp=F
 DIIS: error= 2.39D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128530091     IErMin= 5 ErrMin= 2.39D-06
 ErrMax= 2.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-09 BMatP= 1.70D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.365D-04 0.146D+00 0.106D+00 0.364D+00 0.384D+00
 Coeff:     -0.365D-04 0.146D+00 0.106D+00 0.364D+00 0.384D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.11D-07 MaxDP=6.71D-06 DE=-1.31D-08 OVMax= 9.08D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.80D-08    CP:  1.00D+00  9.88D-01  3.62D-01  6.17D-01  6.05D-01
 E= -1013.45128530284     Delta-E=       -0.000000001933 Rises=F Damp=F
 DIIS: error= 1.63D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128530284     IErMin= 6 ErrMin= 1.63D-07
 ErrMax= 1.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-11 BMatP= 2.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-04 0.478D-01 0.358D-01 0.127D+00 0.161D+00 0.628D+00
 Coeff:     -0.182D-04 0.478D-01 0.358D-01 0.127D+00 0.161D+00 0.628D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.69D-08 MaxDP=7.59D-07 DE=-1.93D-09 OVMax= 1.04D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.53D-08    CP:  1.00D+00  9.88D-01  3.64D-01  6.20D-01  6.01D-01
                    CP:  9.21D-01
 E= -1013.45128530292     Delta-E=       -0.000000000072 Rises=F Damp=F
 DIIS: error= 6.85D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45128530292     IErMin= 7 ErrMin= 6.85D-08
 ErrMax= 6.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-12 BMatP= 2.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.107D-04 0.104D-01 0.823D-02 0.302D-01 0.458D-01 0.344D+00
 Coeff-Com:  0.561D+00
 Coeff:     -0.107D-04 0.104D-01 0.823D-02 0.302D-01 0.458D-01 0.344D+00
 Coeff:      0.561D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.86D-09 MaxDP=2.98D-07 DE=-7.23D-11 OVMax= 3.14D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45128530     A.U. after    7 cycles
            NFock=  7  Conv=0.59D-08     -V/T= 2.0213
 KE= 9.923492509121D+02 PE=-6.027343851560D+03 EE= 2.173626789863D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:04:21 2016, MaxMem=  2952790016 cpu:       991.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37489.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 02:04:29 2016, MaxMem=  2952790016 cpu:        97.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:04:29 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:05:06 2016, MaxMem=  2952790016 cpu:       439.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24103358D+00-2.69552542D+00 3.28022370D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000007363    0.000025578   -0.000119937
      2        6          -0.000007091   -0.000003290   -0.000029857
      3        8           0.000043815    0.000044579   -0.000006946
      4        7           0.000043695    0.000001980    0.000043195
      5        1           0.000022980    0.000010802    0.000028260
      6        6          -0.000008002    0.000051599    0.000056855
      7        1           0.000008810    0.000008433    0.000017157
      8        1           0.000025890    0.000005033    0.000083006
      9        1           0.000030283    0.000008418    0.000038199
     10        6           0.000034543    0.000034227    0.000036905
     11        1           0.000035550    0.000001842    0.000012842
     12        1           0.000029594    0.000012856    0.000011713
     13        1           0.000024456    0.000026727    0.000017734
     14        6           0.000005905   -0.000005344   -0.000038429
     15        8          -0.000016866    0.000001876   -0.000039042
     16        7           0.000004422   -0.000003906   -0.000023600
     17        1          -0.000007201   -0.000012937   -0.000025051
     18        6          -0.000009211   -0.000001253   -0.000026370
     19        1           0.000005759    0.000002948   -0.000025092
     20        1          -0.000000314   -0.000001362   -0.000047964
     21        1          -0.000002428   -0.000002741   -0.000033126
     22        6           0.000016130    0.000011015   -0.000021316
     23        1           0.000008006    0.000017622   -0.000033644
     24        1          -0.000001489    0.000013451   -0.000018855
     25        1           0.000010422    0.000005834   -0.000027587
     26        6          -0.000010182   -0.000034021    0.000002163
     27        8          -0.000032332   -0.000013072    0.000030421
     28        7          -0.000013793   -0.000018704    0.000024352
     29        1           0.000020694    0.000002882    0.000041652
     30        6           0.000020836    0.000042380    0.000007787
     31        1          -0.000031502   -0.000022261    0.000031068
     32        1           0.000003028    0.000005474   -0.000005526
     33        1           0.000024724   -0.000001481    0.000018243
     34        6          -0.000014598    0.000010480    0.000008732
     35        1          -0.000024490   -0.000028295    0.000018080
     36        1          -0.000009866   -0.000018408    0.000021269
     37        1          -0.000023910   -0.000009219   -0.000003161
     38        6          -0.000025105   -0.000018744   -0.000034449
     39        8           0.000002766   -0.000002709    0.000018346
     40        7          -0.000002670   -0.000040245    0.000007783
     41        1          -0.000009277   -0.000005592   -0.000019234
     42        6          -0.000168246   -0.000019554    0.000066971
     43        1          -0.000009866   -0.000037838   -0.000007797
     44        1           0.000106027    0.000024077   -0.000019725
     45        1           0.000007138   -0.000015876   -0.000014433
     46        6          -0.000058435   -0.000009019    0.000015942
     47        1          -0.000018104   -0.000016795   -0.000020521
     48        1           0.000006920   -0.000002338   -0.000018571
     49        1          -0.000030052   -0.000025107    0.000001561
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000168246 RMS     0.000030652
 Leave Link  716 at Mon Nov 14 02:05:06 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000025571 RMS     0.000005097
 Search for a local minimum.
 Step number  41 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .50968D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   31   32   33   34   35
                                                     36   37   38   39   40
                                                     41
 DE= -6.76D-07 DEPred=-4.94D-07 R= 1.37D+00
 Trust test= 1.37D+00 RLast= 3.67D-02 DXMaxT set to 1.33D+00
 ITU=  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0
     Eigenvalues ---    0.00012   0.00055   0.00099   0.00111   0.00177
     Eigenvalues ---    0.00243   0.00336   0.00376   0.00454   0.00507
     Eigenvalues ---    0.00615   0.00648   0.00719   0.00778   0.00810
     Eigenvalues ---    0.00860   0.00959   0.01004   0.01044   0.01095
     Eigenvalues ---    0.01186   0.01226   0.01275   0.01337   0.01400
     Eigenvalues ---    0.01485   0.01594   0.01643   0.01690   0.01728
     Eigenvalues ---    0.01771   0.01819   0.01866   0.01899   0.01948
     Eigenvalues ---    0.02000   0.02126   0.02252   0.02284   0.02402
     Eigenvalues ---    0.02473   0.02683   0.02717   0.03056   0.03149
     Eigenvalues ---    0.03798   0.03923   0.04376   0.04612   0.04739
     Eigenvalues ---    0.04922   0.05520   0.05939   0.06110   0.06169
     Eigenvalues ---    0.06437   0.06570   0.06750   0.07034   0.07131
     Eigenvalues ---    0.07293   0.07757   0.07920   0.08024   0.08071
     Eigenvalues ---    0.08219   0.08269   0.08358   0.08547   0.08661
     Eigenvalues ---    0.08778   0.08944   0.09032   0.09323   0.09612
     Eigenvalues ---    0.09722   0.09887   0.10029   0.10099   0.10321
     Eigenvalues ---    0.10457   0.10583   0.10639   0.10761   0.11148
     Eigenvalues ---    0.11241   0.11410   0.11465   0.12225   0.13193
     Eigenvalues ---    0.13464   0.13896   0.14638   0.15169   0.15321
     Eigenvalues ---    0.15586   0.16384   0.21888   0.23067   0.23442
     Eigenvalues ---    0.23800   0.24528   0.24811   0.25786   0.26515
     Eigenvalues ---    0.27073   0.27817   0.28624   0.29285   0.29688
     Eigenvalues ---    0.29851   0.30515   0.32721   0.32739   0.32822
     Eigenvalues ---    0.32827   0.33304   0.33348   0.33375   0.33385
     Eigenvalues ---    0.33416   0.33428   0.33479   0.33496   0.33690
     Eigenvalues ---    0.33793   0.33827   0.33838   0.33919   0.33933
     Eigenvalues ---    0.34000   0.34020   0.34156   0.37330   0.39301
     Eigenvalues ---    0.40505   0.41396   0.85969   0.85989   0.86145
     Eigenvalues ---    0.87275
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    41   40   39   38   37
 RFO step:  Lambda=-9.69811394D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  6.57D-06 SmlDif=  1.00D-05
 RMS Error=  0.3874248396D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.18235   -1.02517   -0.28499    0.07029    0.05752
 Iteration  1 RMS(Cart)=  0.00216759 RMS(Int)=  0.00007451
 Iteration  2 RMS(Cart)=  0.00006715 RMS(Int)=  0.00000477
 Iteration  3 RMS(Cart)=  0.00000006 RMS(Int)=  0.00000477
 ITry= 1 IFail=0 DXMaxC= 2.09D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58971  -0.00001  -0.00027  -0.00138  -0.00164   6.58806
    R2        6.26620  -0.00001   0.00152  -0.00025   0.00127   6.26748
    R3        7.26168  -0.00002   0.00220   0.00098   0.00318   7.26486
    R4        6.35885  -0.00001   0.00321   0.00130   0.00451   6.36335
    R5        6.52671   0.00000   0.00020  -0.00064  -0.00045   6.52627
    R6        5.97286   0.00001  -0.00028   0.00027  -0.00001   5.97285
    R7        6.70030   0.00000   0.00025  -0.00014   0.00011   6.70041
    R8        6.22776   0.00000  -0.00004   0.00000  -0.00003   6.22773
    R9        6.65642  -0.00001   0.00025   0.00000   0.00025   6.65667
   R10        6.07686   0.00000  -0.00032  -0.00027  -0.00059   6.07627
   R11        6.95852   0.00001   0.00023  -0.00001   0.00023   6.95874
   R12        6.02981   0.00000   0.00029   0.00011   0.00041   6.03022
   R13        6.87279   0.00000  -0.00080  -0.00058  -0.00139   6.87140
   R14        6.19108   0.00000   0.00029   0.00031   0.00059   6.19167
   R15        6.86818   0.00001   0.00107   0.00064   0.00171   6.86989
   R16        5.96503   0.00000   0.00054   0.00013   0.00067   5.96570
   R17        6.68111  -0.00002   0.00006   0.00039   0.00045   6.68157
   R18        6.67546   0.00000   0.00139   0.00159   0.00298   6.67844
   R19        6.20929   0.00000  -0.00035  -0.00045  -0.00081   6.20848
   R20        6.62950  -0.00001  -0.00373  -0.00193  -0.00567   6.62382
   R21        6.03188  -0.00001   0.00374   0.00201   0.00578   6.03766
   R22        6.92407   0.00001   0.00109   0.00053   0.00161   6.92568
   R23        5.96258  -0.00001  -0.00030   0.00037   0.00007   5.96265
   R24        2.34996  -0.00002   0.00004   0.00000   0.00004   2.34999
   R25        2.57135   0.00002   0.00002   0.00002   0.00004   2.57139
   R26        2.09460   0.00000   0.00000   0.00000   0.00000   2.09460
   R27        2.76517   0.00001  -0.00025   0.00003  -0.00022   2.76495
   R28        2.76820   0.00000  -0.00003   0.00003  -0.00001   2.76819
   R29        2.07657   0.00000   0.00003   0.00000   0.00003   2.07660
   R30        2.08252   0.00002   0.00004   0.00001   0.00004   2.08256
   R31        2.08295   0.00000   0.00000   0.00000   0.00000   2.08296
   R32        2.08121   0.00000   0.00000  -0.00001   0.00000   2.08121
   R33        2.07463   0.00000  -0.00001   0.00000   0.00000   2.07462
   R34        2.08349   0.00000  -0.00002   0.00000  -0.00002   2.08348
   R35        2.34879  -0.00001   0.00000   0.00000   0.00000   2.34879
   R36        2.57163  -0.00002  -0.00002  -0.00001  -0.00002   2.57161
   R37        2.09406   0.00000   0.00001   0.00001   0.00002   2.09408
   R38        2.76856   0.00000  -0.00004   0.00001  -0.00002   2.76854
   R39        2.76511  -0.00001  -0.00002  -0.00002  -0.00003   2.76508
   R40        2.08172   0.00000   0.00000   0.00000   0.00001   2.08173
   R41        2.08401   0.00000   0.00001   0.00000   0.00001   2.08402
   R42        2.07440   0.00000  -0.00002  -0.00001  -0.00002   2.07438
   R43        2.08324   0.00000   0.00000   0.00000   0.00000   2.08324
   R44        2.08358   0.00000  -0.00003   0.00001  -0.00003   2.08355
   R45        2.07672   0.00000   0.00000  -0.00001  -0.00001   2.07671
   R46        2.34849   0.00000   0.00003   0.00000   0.00003   2.34853
   R47        2.57175  -0.00001  -0.00004  -0.00001  -0.00004   2.57170
   R48        2.09355   0.00000   0.00000   0.00000   0.00000   2.09355
   R49        2.76517  -0.00001   0.00000  -0.00002  -0.00002   2.76515
   R50        2.76897   0.00000   0.00000  -0.00001  -0.00001   2.76896
   R51        2.08436   0.00000   0.00000  -0.00001  -0.00001   2.08436
   R52        2.08218   0.00000   0.00002   0.00002   0.00004   2.08222
   R53        2.07602   0.00000   0.00000   0.00000   0.00000   2.07602
   R54        2.08512   0.00000   0.00000   0.00001   0.00001   2.08513
   R55        2.07401   0.00000  -0.00001  -0.00002  -0.00003   2.07399
   R56        2.07811   0.00000  -0.00001   0.00001   0.00000   2.07811
   R57        2.34817  -0.00003   0.00005  -0.00001   0.00004   2.34822
   R58        2.57237   0.00001  -0.00007   0.00000  -0.00007   2.57231
   R59        2.09571   0.00000  -0.00001   0.00001   0.00000   2.09571
   R60        2.76881   0.00001  -0.00011   0.00014   0.00004   2.76885
   R61        2.76480  -0.00001   0.00018   0.00000   0.00018   2.76498
   R62        2.07438   0.00001   0.00006   0.00007   0.00013   2.07450
   R63        2.08399   0.00000   0.00005  -0.00004   0.00001   2.08400
   R64        2.08054   0.00001  -0.00002  -0.00010  -0.00010   2.08044
   R65        2.07647  -0.00001  -0.00002  -0.00004  -0.00005   2.07642
   R66        2.08378   0.00001   0.00001   0.00006   0.00007   2.08385
   R67        2.08315   0.00000  -0.00005   0.00002  -0.00003   2.08312
    A1        0.67990   0.00001  -0.00022  -0.00003  -0.00025   0.67966
    A2        0.95650   0.00001  -0.00024  -0.00006  -0.00030   0.95620
    A3        0.72762   0.00000  -0.00001   0.00013   0.00011   0.72773
    A4        1.01951   0.00000  -0.00004   0.00013   0.00009   1.01960
    A5        2.33932   0.00000   0.00054   0.00029   0.00083   2.34015
    A6        2.01809   0.00000   0.00077   0.00039   0.00116   2.01925
    A7        1.97119   0.00000   0.00097   0.00047   0.00144   1.97263
    A8        1.67708   0.00000   0.00105   0.00050   0.00155   1.67863
    A9        1.64933   0.00000   0.00065   0.00033   0.00098   1.65032
   A10        1.36731   0.00000   0.00072   0.00036   0.00107   1.36838
   A11        1.73687   0.00000  -0.00040  -0.00019  -0.00059   1.73628
   A12        2.04121   0.00000  -0.00028  -0.00008  -0.00036   2.04085
   A13        1.94437   0.00000  -0.00004   0.00008   0.00004   1.94441
   A14        2.03168   0.00000  -0.00004   0.00000  -0.00004   2.03164
   A15        2.43668   0.00000  -0.00033  -0.00016  -0.00049   2.43619
   A16        1.54412   0.00000   0.00114   0.00090   0.00205   1.54617
   A17        1.75783   0.00000   0.00055   0.00051   0.00105   1.75889
   A18        1.55720   0.00000  -0.00031  -0.00013  -0.00044   1.55676
   A19        1.69872   0.00000   0.00046   0.00008   0.00054   1.69927
   A20        2.16803   0.00000   0.00050   0.00046   0.00096   2.16899
   A21        2.39093   0.00000   0.00042   0.00021   0.00063   2.39155
   A22        0.64191   0.00001  -0.00034  -0.00003  -0.00037   0.64154
   A23        0.65918   0.00000  -0.00006   0.00002  -0.00004   0.65914
   A24        2.39195   0.00000   0.00019   0.00003   0.00021   2.39217
   A25        2.21524   0.00000   0.00063   0.00028   0.00091   2.21615
   A26        2.31239   0.00001   0.00093   0.00048   0.00140   2.31379
   A27        2.04710   0.00001   0.00106   0.00054   0.00160   2.04870
   A28        1.80796   0.00000   0.00063   0.00027   0.00090   1.80886
   A29        1.56598   0.00001   0.00077   0.00037   0.00113   1.56711
   A30        1.34363   0.00000  -0.00035  -0.00023  -0.00057   1.34306
   A31        1.64232   0.00000  -0.00030  -0.00017  -0.00047   1.64185
   A32        1.59034   0.00000  -0.00019  -0.00011  -0.00030   1.59004
   A33        1.74226   0.00000  -0.00029  -0.00023  -0.00052   1.74174
   A34        2.03999   0.00000  -0.00029  -0.00020  -0.00049   2.03949
   A35        1.79746   0.00000   0.00172   0.00134   0.00306   1.80052
   A36        1.88221   0.00000   0.00118   0.00095   0.00213   1.88434
   A37        1.55008   0.00000   0.00050   0.00042   0.00092   1.55100
   A38        1.57251  -0.00001   0.00117   0.00054   0.00170   1.57421
   A39        2.25475   0.00000   0.00078   0.00064   0.00143   2.25618
   A40        2.35303  -0.00001   0.00070   0.00021   0.00091   2.35394
   A41        0.68818   0.00000  -0.00015  -0.00004  -0.00019   0.68799
   A42        0.74544   0.00001  -0.00008  -0.00007  -0.00016   0.74528
   A43        2.65827   0.00000  -0.00016  -0.00025  -0.00041   2.65786
   A44        2.59357   0.00001   0.00042   0.00016   0.00058   2.59415
   A45        2.64980   0.00001   0.00074   0.00046   0.00120   2.65100
   A46        2.34505   0.00001   0.00080   0.00049   0.00129   2.34634
   A47        2.18590   0.00001   0.00045   0.00017   0.00062   2.18652
   A48        1.95073   0.00001   0.00058   0.00028   0.00086   1.95160
   A49        1.10062   0.00000  -0.00036  -0.00031  -0.00067   1.09995
   A50        1.46029   0.00000  -0.00033  -0.00028  -0.00061   1.45968
   A51        1.55905   0.00000  -0.00034  -0.00028  -0.00062   1.55843
   A52        1.79473   0.00000  -0.00047  -0.00041  -0.00088   1.79385
   A53        1.78802   0.00000  -0.00024  -0.00026  -0.00051   1.78751
   A54        1.65110   0.00000   0.00216   0.00162   0.00378   1.65488
   A55        1.60895   0.00000   0.00157   0.00120   0.00277   1.61172
   A56        1.22166  -0.00001   0.00098   0.00074   0.00172   1.22338
   A57        1.19736  -0.00001   0.00146   0.00072   0.00218   1.19954
   A58        1.92614  -0.00001   0.00097   0.00072   0.00169   1.92782
   A59        1.97705  -0.00001   0.00089   0.00028   0.00116   1.97821
   A60        0.83805   0.00000  -0.00048   0.00012  -0.00036   0.83770
   A61        0.77368   0.00001  -0.00049   0.00012  -0.00037   0.77331
   A62        2.60061   0.00000  -0.00070  -0.00016  -0.00086   2.59975
   A63        2.75982   0.00001  -0.00015   0.00018   0.00003   2.75986
   A64        2.60522   0.00001   0.00085   0.00036   0.00121   2.60643
   A65        2.38318   0.00001   0.00013   0.00029   0.00041   2.38359
   A66        2.18791   0.00001   0.00037   0.00039   0.00076   2.18867
   A67        0.85749   0.00000  -0.00060  -0.00022  -0.00081   0.85668
   A68        1.23338  -0.00001  -0.00059  -0.00017  -0.00076   1.23263
   A69        1.41085   0.00000  -0.00075  -0.00015  -0.00089   1.40996
   A70        1.68221   0.00000  -0.00089  -0.00024  -0.00114   1.68107
   A71        1.52460  -0.00001  -0.00035  -0.00019  -0.00054   1.52407
   A72        1.66907   0.00000   0.00266   0.00141   0.00407   1.67314
   A73        1.52225   0.00000   0.00212   0.00106   0.00317   1.52542
   A74        1.09969  -0.00001   0.00173   0.00079   0.00252   1.10221
   A75        0.99878  -0.00001   0.00202   0.00075   0.00277   1.00155
   A76        1.76537  -0.00001   0.00130   0.00050   0.00179   1.76716
   A77        1.75673  -0.00001   0.00115   0.00011   0.00126   1.75799
   A78        1.99513   0.00000   0.00009  -0.00011  -0.00002   1.99511
   A79        1.93445   0.00000   0.00048   0.00010   0.00058   1.93503
   A80        2.20999   0.00001   0.00073   0.00027   0.00100   2.21099
   A81        2.06551   0.00001   0.00100   0.00042   0.00142   2.06693
   A82        1.54517   0.00001   0.00060   0.00016   0.00077   1.54593
   A83        1.37692   0.00001   0.00078   0.00031   0.00110   1.37801
   A84        1.20173   0.00000  -0.00005  -0.00003  -0.00009   1.20165
   A85        1.38661   0.00000  -0.00005  -0.00003  -0.00008   1.38652
   A86        1.21768   0.00000   0.00000  -0.00003  -0.00003   1.21765
   A87        1.32392   0.00000  -0.00016  -0.00021  -0.00037   1.32355
   A88        1.81358   0.00000  -0.00006  -0.00006  -0.00011   1.81347
   A89        2.22970   0.00000   0.00161   0.00133   0.00293   2.23263
   A90        2.29071   0.00000   0.00134   0.00111   0.00245   2.29315
   A91        1.90842   0.00000   0.00090   0.00074   0.00164   1.91007
   A92        1.83576  -0.00001   0.00159   0.00090   0.00249   1.83825
   A93        2.60231   0.00000   0.00081   0.00065   0.00146   2.60377
   A94        2.55112  -0.00001   0.00068   0.00008   0.00077   2.55188
   A95        1.91418   0.00000  -0.00010  -0.00019  -0.00030   1.91388
   A96        1.98919   0.00000   0.00027   0.00004   0.00032   1.98951
   A97        2.36289   0.00000   0.00046   0.00018   0.00064   2.36353
   A98        2.31380   0.00000   0.00087   0.00041   0.00128   2.31508
   A99        1.65810   0.00000   0.00050   0.00018   0.00068   1.65878
   A100       1.56276   0.00000   0.00071   0.00036   0.00107   1.56384
   A101       0.89470   0.00000   0.00004  -0.00005  -0.00001   0.89469
   A102       1.06456   0.00000  -0.00005  -0.00008  -0.00013   1.06443
   A103       0.93304   0.00000  -0.00009  -0.00011  -0.00020   0.93284
   A104       1.09443  -0.00001  -0.00030  -0.00029  -0.00060   1.09384
   A105       1.49142   0.00000  -0.00005  -0.00011  -0.00016   1.49126
   A106       2.39607   0.00001   0.00205   0.00154   0.00359   2.39966
   A107       2.29373   0.00000   0.00165   0.00116   0.00282   2.29655
   A108       1.86595   0.00000   0.00138   0.00096   0.00235   1.86830
   A109       1.70017   0.00000   0.00183   0.00100   0.00282   1.70299
   A110       2.44895   0.00000   0.00072   0.00036   0.00108   2.45003
   A111       2.29135   0.00000   0.00061  -0.00009   0.00052   2.29186
   A112       0.71361   0.00000  -0.00002   0.00002  -0.00001   0.71360
   A113       1.00506   0.00000   0.00000   0.00003   0.00002   1.00508
   A114       0.69549   0.00000  -0.00003   0.00000  -0.00003   0.69546
   A115       0.98316   0.00000  -0.00004   0.00000  -0.00004   0.98312
   A116       1.80672   0.00000   0.00007   0.00001   0.00008   1.80680
   A117       1.42544   0.00000   0.00001  -0.00003  -0.00002   1.42542
   A118       1.19270   0.00000   0.00007  -0.00003   0.00004   1.19274
   A119       0.91843   0.00000   0.00020   0.00008   0.00028   0.91871
   A120       1.25023   0.00000  -0.00010  -0.00002  -0.00012   1.25011
   A121       1.97017   0.00000  -0.00198  -0.00135  -0.00333   1.96685
   A122       1.99690   0.00000  -0.00141  -0.00099  -0.00240   1.99451
   A123       2.33708   0.00001  -0.00060  -0.00040  -0.00100   2.33608
   A124       2.24476   0.00001  -0.00104  -0.00039  -0.00143   2.24333
   A125       1.63644   0.00000  -0.00098  -0.00067  -0.00165   1.63479
   A126       1.50370   0.00001  -0.00097  -0.00039  -0.00136   1.50234
   A127       0.65583   0.00000   0.00004   0.00002   0.00006   0.65589
   A128       0.66097   0.00000  -0.00004  -0.00002  -0.00005   0.66092
   A129       2.16915   0.00000   0.00022   0.00010   0.00033   2.16947
   A130       1.79659   0.00000   0.00012   0.00005   0.00017   1.79676
   A131       1.50301   0.00000   0.00029   0.00012   0.00040   1.50341
   A132       1.21018   0.00000   0.00038   0.00019   0.00057   1.21075
   A133       1.64348   0.00000  -0.00014  -0.00002  -0.00016   1.64332
   A134       1.81682   0.00000  -0.00226  -0.00142  -0.00368   1.81314
   A135       1.99988   0.00000  -0.00193  -0.00122  -0.00315   1.99673
   A136       2.42367   0.00000  -0.00158  -0.00097  -0.00255   2.42111
   A137       2.49224   0.00000  -0.00188  -0.00088  -0.00276   2.48949
   A138       1.74603   0.00000  -0.00130  -0.00077  -0.00207   1.74397
   A139       1.71217   0.00000  -0.00132  -0.00045  -0.00177   1.71041
   A140       0.70485   0.00000  -0.00004  -0.00001  -0.00005   0.70480
   A141       0.83320   0.00000  -0.00006  -0.00005  -0.00011   0.83308
   A142       2.49978   0.00000  -0.00016  -0.00007  -0.00023   2.49955
   A143       2.11961   0.00000  -0.00017  -0.00010  -0.00027   2.11934
   A144       1.90091   0.00000   0.00013   0.00004   0.00016   1.90107
   A145       1.61551   0.00000   0.00028   0.00015   0.00043   1.61594
   A146       1.83883   0.00000  -0.00045  -0.00019  -0.00064   1.83820
   A147       1.39079   0.00000  -0.00225  -0.00142  -0.00366   1.38712
   A148       1.61319   0.00000  -0.00202  -0.00124  -0.00327   1.60992
   A149       2.04256   0.00000  -0.00185  -0.00113  -0.00298   2.03958
   A150       2.21582   0.00000  -0.00233  -0.00119  -0.00352   2.21230
   A151       1.44766   0.00000  -0.00140  -0.00075  -0.00215   1.44551
   A152       1.51318   0.00000  -0.00150  -0.00045  -0.00194   1.51124
   A153       0.76554   0.00000   0.00007   0.00003   0.00010   0.76564
   A154       0.76691   0.00000   0.00006  -0.00002   0.00004   0.76695
   A155       2.81036   0.00000  -0.00003  -0.00001  -0.00004   2.81032
   A156       2.42788   0.00000  -0.00008  -0.00005  -0.00013   2.42775
   A157       2.15741   0.00000   0.00037   0.00016   0.00053   2.15794
   A158       1.86352   0.00000   0.00046   0.00023   0.00069   1.86421
   A159       2.14986   0.00000  -0.00054  -0.00022  -0.00076   2.14910
   A160       1.24955   0.00000  -0.00231  -0.00134  -0.00365   1.24590
   A161       1.55916   0.00000  -0.00217  -0.00123  -0.00340   1.55576
   A162       1.96054   0.00000  -0.00216  -0.00127  -0.00343   1.95711
   A163       2.21709   0.00000  -0.00245  -0.00130  -0.00376   2.21333
   A164       1.51761   0.00000  -0.00151  -0.00070  -0.00222   1.51539
   A165       1.66213   0.00000  -0.00163  -0.00044  -0.00207   1.66007
   A166       2.15648   0.00000   0.00067   0.00031   0.00098   2.15746
   A167       1.85878   0.00000   0.00050   0.00025   0.00075   1.85953
   A168       1.47307   0.00000   0.00063   0.00031   0.00094   1.47401
   A169       1.19424   0.00000   0.00061   0.00030   0.00090   1.19514
   A170       1.86783   0.00000   0.00015   0.00014   0.00029   1.86812
   A171       2.01374   0.00000  -0.00222  -0.00128  -0.00351   2.01023
   A172       2.30778   0.00000  -0.00210  -0.00124  -0.00335   2.30443
   A173       2.72527   0.00000  -0.00208  -0.00123  -0.00331   2.72196
   A174       2.13355   0.00000  -0.00140  -0.00077  -0.00217   2.13138
   A175       2.12009   0.00000  -0.00134  -0.00045  -0.00179   2.11830
   A176       2.26267   0.00000   0.00089   0.00047   0.00136   2.26403
   A177       2.04471   0.00000   0.00068   0.00040   0.00108   2.04579
   A178       1.63443   0.00001   0.00078   0.00046   0.00124   1.63567
   A179       1.38469   0.00000   0.00068   0.00038   0.00105   1.38574
   A180       2.13301   0.00000   0.00026   0.00023   0.00048   2.13349
   A181       1.93573   0.00000  -0.00196  -0.00109  -0.00306   1.93267
   A182       2.30156   0.00000  -0.00201  -0.00115  -0.00317   2.29839
   A183       2.62224   0.00000  -0.00191  -0.00116  -0.00308   2.61916
   A184       2.26984   0.00000  -0.00148  -0.00077  -0.00225   2.26759
   A185       2.33755   0.00000  -0.00151  -0.00050  -0.00201   2.33554
   A186       0.69197  -0.00001   0.00001   0.00000   0.00000   0.69197
   A187       0.98310  -0.00001  -0.00004  -0.00003  -0.00008   0.98303
   A188       0.70045   0.00000   0.00007   0.00002   0.00009   0.70054
   A189       2.08331   0.00000   0.00117   0.00069   0.00185   2.08517
   A190       1.71491   0.00000   0.00101   0.00060   0.00161   1.71651
   A191       1.37455   0.00000   0.00130   0.00086   0.00216   1.37671
   A192       1.07329   0.00000   0.00122   0.00077   0.00199   1.07528
   A193       1.62489   0.00000   0.00025   0.00003   0.00029   1.62518
   A194       1.40730   0.00000   0.00041  -0.00015   0.00026   1.40757
   A195       0.66677   0.00000  -0.00007  -0.00002  -0.00009   0.66667
   A196       2.24771   0.00000   0.00051   0.00015   0.00066   2.24837
   A197       1.85225   0.00000   0.00062   0.00025   0.00087   1.85312
   A198       1.61606   0.00000   0.00120   0.00075   0.00195   1.61800
   A199       1.29960   0.00000   0.00085   0.00058   0.00143   1.30103
   A200       1.62086   0.00000  -0.00005  -0.00025  -0.00030   1.62056
   A201       1.34813   0.00000   0.00010  -0.00033  -0.00023   1.34790
   A202       0.71102   0.00000  -0.00012  -0.00007  -0.00020   0.71082
   A203       2.64278   0.00000   0.00006  -0.00018  -0.00012   2.64265
   A204       2.25283   0.00000   0.00038   0.00008   0.00046   2.25328
   A205       2.02625   0.00000   0.00117   0.00073   0.00190   2.02815
   A206       1.71025   0.00000   0.00086   0.00057   0.00143   1.71168
   A207       1.96338   0.00000  -0.00033  -0.00045  -0.00078   1.96260
   A208       1.67579   0.00000  -0.00020  -0.00046  -0.00066   1.67513
   A209       0.83385   0.00000  -0.00006   0.00004  -0.00003   0.83382
   A210       2.70353   0.00000  -0.00095  -0.00081  -0.00176   2.70177
   A211       2.38859   0.00000  -0.00002  -0.00016  -0.00019   2.38840
   A212       2.27124   0.00000   0.00105   0.00067   0.00172   2.27297
   A213       1.95723   0.00000   0.00064   0.00050   0.00114   1.95837
   A214       2.01933   0.00000  -0.00044  -0.00046  -0.00089   2.01844
   A215       1.73712   0.00000  -0.00032  -0.00037  -0.00069   1.73643
   A216       1.93871   0.00000  -0.00008  -0.00030  -0.00037   1.93834
   A217       1.56618   0.00000   0.00023  -0.00006   0.00017   1.56636
   A218       1.47435   0.00000   0.00091   0.00049   0.00140   1.47575
   A219       1.18510   0.00000   0.00025   0.00024   0.00049   1.18559
   A220       1.25264   0.00000  -0.00019  -0.00036  -0.00055   1.25209
   A221       0.96602   0.00000  -0.00005  -0.00037  -0.00042   0.96560
   A222       0.71676   0.00000   0.00006  -0.00002   0.00004   0.71681
   A223       1.01005   0.00000  -0.00005  -0.00007  -0.00013   1.00991
   A224       0.69838   0.00000  -0.00011  -0.00008  -0.00019   0.69819
   A225       0.98638   0.00000  -0.00020  -0.00010  -0.00029   0.98609
   A226       0.66003   0.00000  -0.00025  -0.00009  -0.00034   0.65969
   A227       0.66571   0.00000   0.00008  -0.00001   0.00007   0.66578
   A228       0.70844   0.00000   0.00015   0.00011   0.00026   0.70870
   A229       0.84258   0.00000   0.00058   0.00018   0.00076   0.84334
   A230       0.77215   0.00000  -0.00088  -0.00037  -0.00125   0.77090
   A231       0.78093   0.00000  -0.00050  -0.00037  -0.00087   0.78006
   A232       1.58336   0.00001  -0.00151  -0.00090  -0.00240   1.58096
   A233       1.86752  -0.00002   0.00122   0.00060   0.00183   1.86934
   A234       2.18995   0.00001  -0.00001  -0.00008  -0.00009   2.18986
   A235       2.12930   0.00000  -0.00012   0.00005  -0.00007   2.12923
   A236       1.96357  -0.00001   0.00013   0.00004   0.00017   1.96374
   A237       2.12428   0.00000  -0.00021  -0.00003  -0.00024   2.12404
   A238       2.12669   0.00000  -0.00008   0.00000  -0.00008   2.12661
   A239       2.03141   0.00000   0.00025   0.00002   0.00028   2.03169
   A240       1.82805   0.00000  -0.00169   0.00078  -0.00090   1.82715
   A241       2.54590   0.00000   0.00182  -0.00078   0.00103   2.54694
   A242       1.91411   0.00000  -0.00016   0.00005  -0.00011   1.91400
   A243       1.91512   0.00000  -0.00022   0.00011  -0.00011   1.91502
   A244       1.91675  -0.00001   0.00070  -0.00011   0.00058   1.91733
   A245       1.91025   0.00000  -0.00029  -0.00004  -0.00033   1.90992
   A246       1.90861   0.00001  -0.00013   0.00002  -0.00012   1.90850
   A247       1.89888  -0.00001   0.00010  -0.00003   0.00007   1.89895
   A248       1.28281   0.00000  -0.00024  -0.00051  -0.00075   1.28207
   A249       1.90452   0.00001   0.00013   0.00007   0.00020   1.90471
   A250       1.90965   0.00000  -0.00009   0.00001  -0.00008   1.90957
   A251       1.92756   0.00000  -0.00005  -0.00004  -0.00009   1.92747
   A252       1.91119   0.00000  -0.00004  -0.00002  -0.00006   1.91113
   A253       1.89773   0.00000   0.00001   0.00000   0.00001   1.89773
   A254       1.91308   0.00000   0.00004  -0.00001   0.00003   1.91310
   A255       1.72282  -0.00001  -0.00015  -0.00012  -0.00027   1.72255
   A256       1.76591   0.00001   0.00038   0.00009   0.00047   1.76639
   A257       2.19104  -0.00001  -0.00003  -0.00001  -0.00004   2.19100
   A258       2.12984   0.00000   0.00000   0.00000   0.00001   2.12984
   A259       1.96210   0.00001   0.00003   0.00000   0.00003   1.96213
   A260       2.12452   0.00000   0.00006   0.00004   0.00010   2.12462
   A261       2.12341   0.00000   0.00000  -0.00002  -0.00002   2.12339
   A262       2.03501   0.00000  -0.00005  -0.00002  -0.00007   2.03494
   A263       1.34830  -0.00001   0.00059   0.00018   0.00077   1.34908
   A264       1.90005   0.00000   0.00009   0.00003   0.00012   1.90017
   A265       1.93170   0.00000  -0.00009  -0.00002  -0.00011   1.93158
   A266       1.91001   0.00000   0.00007   0.00001   0.00008   1.91009
   A267       1.89764   0.00000  -0.00008  -0.00002  -0.00010   1.89754
   A268       1.91295   0.00000   0.00003   0.00000   0.00003   1.91298
   A269       1.91135   0.00000  -0.00002   0.00001  -0.00001   1.91133
   A270       2.66663  -0.00001  -0.00002   0.00011   0.00009   2.66672
   A271       1.69681   0.00000   0.00000  -0.00012  -0.00011   1.69669
   A272       1.92476   0.00000   0.00000  -0.00002  -0.00002   1.92474
   A273       1.91325   0.00000  -0.00007  -0.00004  -0.00011   1.91314
   A274       1.91347   0.00000  -0.00001   0.00001   0.00000   1.91348
   A275       1.89438   0.00000   0.00001  -0.00001   0.00000   1.89438
   A276       1.91095   0.00000   0.00003   0.00001   0.00005   1.91100
   A277       1.90683   0.00000   0.00005   0.00004   0.00008   1.90691
   A278       1.80698  -0.00002  -0.00101  -0.00053  -0.00153   1.80544
   A279       1.75186   0.00002   0.00070   0.00034   0.00104   1.75290
   A280       2.18943  -0.00001   0.00007  -0.00002   0.00004   2.18948
   A281       2.13088   0.00000  -0.00005   0.00000  -0.00006   2.13082
   A282       1.96279   0.00001  -0.00001   0.00003   0.00001   1.96281
   A283       2.12248   0.00000   0.00013   0.00001   0.00014   2.12262
   A284       2.11537   0.00000   0.00014   0.00005   0.00019   2.11556
   A285       2.04252   0.00001  -0.00025  -0.00005  -0.00030   2.04223
   A286       2.70429  -0.00002  -0.00081  -0.00061  -0.00142   2.70287
   A287       1.65581   0.00002   0.00076   0.00055   0.00131   1.65712
   A288       1.92654   0.00000  -0.00016  -0.00005  -0.00021   1.92634
   A289       1.91525   0.00000  -0.00012   0.00001  -0.00011   1.91514
   A290       1.91190   0.00001   0.00008   0.00004   0.00012   1.91203
   A291       1.89173  -0.00001  -0.00004  -0.00004  -0.00008   1.89165
   A292       1.91227   0.00000   0.00009   0.00005   0.00015   1.91242
   A293       1.90592   0.00000   0.00015  -0.00002   0.00013   1.90605
   A294       1.34708   0.00001   0.00053   0.00069   0.00121   1.34829
   A295       1.15617  -0.00001  -0.00044  -0.00046  -0.00090   1.15528
   A296       1.93306   0.00000  -0.00011  -0.00007  -0.00018   1.93287
   A297       1.90669   0.00001   0.00004   0.00003   0.00007   1.90676
   A298       1.90133   0.00000   0.00006   0.00008   0.00014   1.90147
   A299       1.90952   0.00000   0.00004   0.00001   0.00005   1.90957
   A300       1.89892   0.00000  -0.00005  -0.00011  -0.00017   1.89875
   A301       1.91425   0.00000   0.00003   0.00006   0.00009   1.91433
   A302       1.71486   0.00000  -0.00057   0.00026  -0.00032   1.71454
   A303       1.77032   0.00001   0.00137   0.00048   0.00185   1.77217
   A304       2.19248   0.00000  -0.00018  -0.00014  -0.00032   2.19216
   A305       2.13023   0.00000   0.00004  -0.00001   0.00003   2.13026
   A306       1.96020   0.00000   0.00014   0.00015   0.00029   1.96049
   A307       2.12511  -0.00001  -0.00019  -0.00026  -0.00045   2.12466
   A308       2.12146   0.00000   0.00003   0.00013   0.00015   2.12162
   A309       2.03590   0.00001   0.00016   0.00016   0.00032   2.03622
   A310       1.35828  -0.00002  -0.00520  -0.00295  -0.00814   1.35014
   A311       2.99770  -0.00001   0.00536   0.00289   0.00824   3.00595
   A312       1.90820   0.00000   0.00018  -0.00011   0.00007   1.90826
   A313       1.92913   0.00000   0.00009   0.00014   0.00014   1.92927
   A314       1.90405   0.00000  -0.00030  -0.00011  -0.00043   1.90363
   A315       1.91234   0.00002  -0.00013   0.00009   0.00000   1.91234
   A316       1.91221  -0.00001   0.00000  -0.00019  -0.00017   1.91204
   A317       1.89780   0.00000   0.00017   0.00017   0.00039   1.89819
   A318       1.71790   0.00000   0.00181   0.00043   0.00224   1.72014
   A319       1.91360   0.00000  -0.00010   0.00000  -0.00010   1.91350
   A320       1.91474  -0.00002   0.00006  -0.00014  -0.00008   1.91466
   A321       1.92473   0.00001  -0.00005   0.00005   0.00000   1.92473
   A322       1.90491   0.00001  -0.00013   0.00004  -0.00009   1.90482
   A323       1.91130   0.00000   0.00012   0.00001   0.00012   1.91143
   A324       1.89434   0.00000   0.00010   0.00004   0.00015   1.89448
   A325       2.92769   0.00001   0.00073   0.00041   0.00113   2.92883
   A326       3.34806   0.00000   0.00112   0.00041   0.00153   3.34958
   A327       3.06603   0.00000   0.00118   0.00044   0.00162   3.06765
   A328       3.19589   0.00000  -0.00020  -0.00052  -0.00072   3.19517
   A329       3.25965   0.00000   0.00057   0.00019   0.00076   3.26041
   A330       3.25660   0.00000   0.00056   0.00070   0.00126   3.25786
   A331       3.62920   0.00000   0.00192   0.00044   0.00236   3.63157
   A332       3.20948   0.00000  -0.00042   0.00011  -0.00031   3.20917
   A333       3.01362   0.00000  -0.00205  -0.00115  -0.00320   3.01042
   A334       2.95041   0.00000  -0.00228  -0.00130  -0.00358   2.94683
   A335       3.23030  -0.00001   0.00040  -0.00019   0.00021   3.23050
   A336       3.08002   0.00000  -0.00009  -0.00007  -0.00016   3.07986
   A337       3.10537  -0.00001  -0.00026  -0.00027  -0.00054   3.10484
   A338       3.03691   0.00000  -0.00002   0.00016   0.00014   3.03705
    D1        2.75866   0.00000   0.00045   0.00011   0.00056   2.75922
    D2       -1.36173   0.00000   0.00002  -0.00004  -0.00002  -1.36175
    D3        2.78062   0.00000   0.00005   0.00048   0.00053   2.78115
    D4       -1.33977   0.00000  -0.00038   0.00033  -0.00006  -1.33982
    D5        1.66409   0.00000   0.00055   0.00026   0.00082   1.66491
    D6       -2.45629   0.00001   0.00012   0.00011   0.00024  -2.45606
    D7        1.84576   0.00000   0.00058   0.00038   0.00095   1.84671
    D8       -2.27463   0.00000   0.00015   0.00022   0.00037  -2.27426
    D9        0.31971   0.00000   0.00114   0.00073   0.00187   0.32158
   D10        2.48251   0.00000   0.00071   0.00058   0.00129   2.48379
   D11        0.03875   0.00000   0.00065   0.00048   0.00113   0.03988
   D12        2.20155   0.00000   0.00022   0.00033   0.00055   2.20209
   D13       -0.42886   0.00000   0.00046   0.00037   0.00084  -0.42802
   D14        1.73394   0.00000   0.00004   0.00022   0.00026   1.73419
   D15       -0.54786   0.00000   0.00027   0.00031   0.00058  -0.54728
   D16        1.61494   0.00000  -0.00016   0.00015   0.00000   1.61494
   D17        0.22065   0.00000   0.00039   0.00036   0.00075   0.22141
   D18        2.38345   0.00000  -0.00004   0.00021   0.00017   2.38362
   D19        0.15745   0.00000   0.00017   0.00021   0.00037   0.15782
   D20        2.32024   0.00000  -0.00026   0.00006  -0.00021   2.32003
   D21        2.40455   0.00000   0.00117   0.00073   0.00190   2.40645
   D22       -1.71584   0.00000   0.00074   0.00058   0.00131  -1.71452
   D23        2.15932   0.00000   0.00126   0.00082   0.00208   2.16141
   D24       -1.96107   0.00000   0.00083   0.00067   0.00150  -1.95957
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   D463       3.12948  -0.00001  -0.00064  -0.00035  -0.00099   3.12849
   D464       1.92976   0.00002   0.00114   0.00100   0.00214   1.93190
   D465      -2.26960   0.00001   0.00092   0.00093   0.00185  -2.26776
   D466      -0.17737   0.00001   0.00108   0.00093   0.00201  -0.17536
   D467      -1.13226   0.00002   0.00089   0.00078   0.00167  -1.13059
   D468       0.95157   0.00001   0.00067   0.00071   0.00137   0.95294
   D469       3.04380   0.00001   0.00083   0.00071   0.00154   3.04533
   D470      -1.63687  -0.00001  -0.00124  -0.00121  -0.00245  -1.63932
   D471       0.46760  -0.00001  -0.00124  -0.00122  -0.00246   0.46514
   D472       2.55838   0.00000  -0.00114  -0.00108  -0.00222   2.55616
   D473       1.42550  -0.00001  -0.00099  -0.00099  -0.00198   1.42351
   D474      -2.75322  -0.00001  -0.00099  -0.00100  -0.00199  -2.75521
   D475      -0.66244   0.00000  -0.00089  -0.00086  -0.00175  -0.66419
   D476       0.00375  -0.00001   0.00008  -0.00001   0.00007   0.00382
   D477      -3.09606  -0.00001   0.00007  -0.00080  -0.00073  -3.09679
   D478       3.12016   0.00000   0.00020   0.00004   0.00024   3.12040
   D479       0.02035   0.00000   0.00019  -0.00075  -0.00057   0.01979
   D480      -0.31839  -0.00002  -0.00579  -0.00386  -0.00964  -0.32803
   D481       1.78807   0.00001  -0.00578  -0.00372  -0.00951   1.77856
   D482      -2.40924   0.00000  -0.00572  -0.00349  -0.00921  -2.41845
   D483       2.78337  -0.00001  -0.00579  -0.00310  -0.00888   2.77449
   D484      -1.39336   0.00001  -0.00578  -0.00297  -0.00875  -1.40211
   D485       0.69251   0.00001  -0.00571  -0.00274  -0.00845   0.68407
   D486       0.01225   0.00001  -0.00081   0.00084   0.00003   0.01229
   D487       2.10398   0.00001  -0.00099   0.00081  -0.00018   2.10379
   D488      -2.09361   0.00000  -0.00086   0.00080  -0.00005  -2.09366
   D489      -3.08959   0.00000  -0.00081   0.00010  -0.00071  -3.09030
   D490      -0.99787   0.00000  -0.00099   0.00007  -0.00093  -0.99880
   D491       1.08773   0.00000  -0.00086   0.00006  -0.00080   1.08693
         Item               Value     Threshold  Converged?
 Maximum Force            0.000026     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.020917     0.001800     NO 
 RMS     Displacement     0.002234     0.001200     NO 
 Predicted change in Energy=-6.617987D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:05:07 2016, MaxMem=  2952790016 cpu:         9.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.835931   -0.613032    1.687108
      2          6           0       -2.113508    1.093768   -1.340059
      3          8           0       -2.661339    0.106414   -1.861080
      4          7           0       -0.817581    1.152478   -0.929341
      5          1           0       -2.666474    2.032389   -1.135596
      6          6           0       -0.281639    2.327234   -0.241210
      7          1           0       -1.045203    3.116816   -0.208211
      8          1           0        0.009549    2.055656    0.786389
      9          1           0        0.607220    2.700871   -0.775331
     10          6           0        0.099650    0.023354   -1.101359
     11          1           0        0.672488   -0.121191   -0.171902
     12          1           0       -0.476763   -0.884679   -1.321550
     13          1           0        0.805238    0.222559   -1.924786
     14          6           0       -1.982013   -4.032533    2.613217
     15          8           0       -2.111461   -3.889299    3.841058
     16          7           0       -2.921125   -3.724796    1.677674
     17          1           0       -1.046250   -4.418051    2.161890
     18          6           0       -4.227073   -3.174278    2.048884
     19          1           0       -4.496937   -2.382720    1.331847
     20          1           0       -5.002498   -3.957892    2.019467
     21          1           0       -4.171209   -2.751556    3.060398
     22          6           0       -2.666313   -3.899035    0.247390
     23          1           0       -3.369422   -4.633084   -0.179341
     24          1           0       -2.805033   -2.937041   -0.273162
     25          1           0       -1.635261   -4.247801    0.095803
     26          6           0        1.533474    0.379293    2.627464
     27          8           0        1.352493    1.392414    3.324135
     28          7           0        1.168090   -0.887100    2.966221
     29          1           0        2.013684    0.428845    1.630322
     30          6           0        1.484372   -2.031475    2.110953
     31          1           0        2.242558   -2.672222    2.591779
     32          1           0        0.576485   -2.633048    1.943748
     33          1           0        1.864224   -1.673979    1.144104
     34          6           0        0.530251   -1.174671    4.253652
     35          1           0        1.281917   -1.473370    5.004167
     36          1           0        0.001439   -0.278878    4.603560
     37          1           0       -0.185274   -1.999192    4.121351
     38          6           0       -4.593734    1.243281    2.886420
     39          8           0       -4.835259    1.890628    1.853600
     40          7           0       -3.499862    1.398813    3.681491
     41          1           0       -5.264598    0.436678    3.245883
     42          6           0       -2.463794    2.390484    3.381495
     43          1           0       -2.540205    2.688572    2.327729
     44          1           0       -2.579567    3.278012    4.025754
     45          1           0       -1.474519    1.944631    3.567459
     46          6           0       -3.275915    0.548339    4.850846
     47          1           0       -4.091616   -0.182754    4.937343
     48          1           0       -2.319021    0.011193    4.742084
     49          1           0       -3.231968    1.161086    5.766139
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486252   0.000000
     3  O    3.713292   1.243563   0.000000
     4  N    3.316605   1.360722   2.315563   0.000000
     5  H    3.956730   1.108416   2.058089   2.057958   0.000000
     6  C    3.844398   2.466708   3.635793   1.463150   2.564039
     7  H    4.257846   2.552466   3.795575   2.104867   2.159756
     8  H    3.367341   3.155056   4.235832   2.107985   3.294793
     9  H    4.797348   3.209994   4.312022   2.109810   3.360615
    10  C    3.453551   2.469986   2.864810   1.464863   3.418894
    11  H    3.160695   3.256146   3.744265   2.101487   4.088432
    12  H    3.312575   2.567787   2.458806   2.102378   3.652218
    13  H    4.551897   3.101611   3.469107   2.118773   3.993882
    14  C    3.545702   6.474924   6.132838   6.386702   7.162776
    15  O    3.930565   7.188527   6.984444   7.060478   7.755096
    16  N    3.295574   5.742605   5.221919   5.916859   6.412839
    17  H    3.914995   6.616860   6.266066   6.374856   7.423390
    18  C    3.522558   5.845365   5.338752   6.262210   6.299663
    19  H    3.215424   4.990569   4.445221   5.581062   5.378852
    20  H    4.617975   6.719519   6.087549   7.233594   7.162045
    21  H    3.451482   6.195535   5.888008   6.512013   6.538862
    22  C    3.682409   5.268174   4.526510   5.506386   6.090520
    23  H    4.689994   5.976739   5.078628   6.367662   6.770309
    24  H    3.191055   4.226570   3.435804   4.593985   5.045614
    25  H    3.972917   5.551826   4.882767   5.557206   6.482324
    26  C    3.636189   5.436192   6.149629   4.333143   5.876471
    27  O    4.107033   5.818681   6.682147   4.781092   6.037455
    28  N    3.276490   5.765134   6.241348   4.824745   6.328681
    29  H    3.988518   5.128255   5.843774   3.884788   5.667939
    30  C    3.635387   5.883992   6.126543   4.967890   6.654667
    31  H    4.657549   6.972613   7.183103   6.032500   7.754049
    32  H    3.156910   5.648770   5.697795   4.952601   6.462619
    33  H    3.887365   5.445533   5.716786   4.413627   6.281832
    34  C    3.535733   6.589756   7.015510   5.839151   7.039054
    35  H    4.632930   7.639915   8.073202   6.819786   8.097952
    36  H    3.463131   6.456296   7.002171   5.773436   6.737775
    37  H    3.251407   6.565934   6.808374   5.986846   7.074284
    38  C    3.534080   4.902754   5.250273   5.369135   4.529198
    39  O    3.910499   4.271109   4.659206   4.942810   3.695811
    40  N    3.285384   5.218332   5.752696   5.339952   4.929531
    41  H    3.909914   5.602856   5.741699   6.141728   5.337968
    42  C    3.505177   4.908894   5.721940   4.777655   4.535793
    43  H    3.436130   4.022206   4.922229   3.991933   3.527200
    44  H    4.600270   5.812063   6.687341   5.672341   5.310241
    45  H    3.194992   5.021554   5.852915   4.613055   4.852544
    46  C    3.664911   6.322656   6.754476   6.310226   6.197686
    47  H    3.979608   6.704341   6.953263   6.849827   6.619552
    48  H    3.155298   6.181154   6.612716   5.976781   6.225197
    49  H    4.662071   7.193993   7.720908   7.117499   6.979462
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098890   0.000000
     8  H    1.102046   1.796605   0.000000
     9  H    1.102253   1.795867   1.792340   0.000000
    10  C    2.488594   3.417295   2.775240   2.744634   0.000000
    11  H    2.628678   3.665579   2.469104   2.886594   1.101329
    12  H    3.394347   4.192208   3.650407   3.785439   1.097844
    13  H    2.906094   3.840245   3.368060   2.739067   1.102528
    14  C    7.175351   7.742820   6.661056   7.970265   5.880614
    15  O    7.658880   8.162054   7.012287   8.493092   6.680221
    16  N    6.875759   7.340524   6.541930   7.730178   5.558483
    17  H    7.201277   7.898836   6.701910   7.876566   5.629206
    18  C    7.146860   7.402475   6.847997   8.115661   6.234534
    19  H    6.513594   6.673166   6.348631   7.505699   5.730471
    20  H    8.179241   8.406797   7.924888   9.144341   7.184831
    21  H    7.198852   7.409015   6.764549   8.202143   6.577278
    22  C    6.685194   7.215105   6.550503   7.437791   4.985460
    23  H    7.614739   8.090968   7.555747   8.363957   5.879370
    24  H    5.837904   6.304792   5.828511   6.609213   4.229307
    25  H    6.721380   7.394470   6.551021   7.353342   4.762970
    26  C    3.913873   4.710059   2.919263   4.222166   4.010818
    27  O    4.031868   4.604343   2.946785   4.367277   4.798847
    28  N    4.766684   5.568396   3.841055   5.214147   4.302987
    29  H    3.517815   4.467906   2.715749   3.595471   3.360064
    30  C    5.258309   6.187259   4.542490   5.612053   4.056935
    31  H    6.276301   7.222345   5.531599   6.548426   5.049500
    32  H    5.487696   6.349940   4.862596   5.987072   4.068970
    33  H    4.746949   5.765868   4.180664   4.940001   3.322162
    34  C    5.755544   6.388047   4.767395   6.349522   5.504255
    35  H    6.663579   7.324901   5.644696   7.161153   6.396513
    36  H    5.508516   5.981583   4.474473   6.178863   5.713763
    37  H    6.144851   6.757080   5.253734   6.833458   5.607903
    38  C    5.436100   5.067440   5.124480   6.525558   6.278412
    39  O    5.031333   4.485435   4.963702   6.098225   6.047465
    40  N    5.158149   4.909854   4.596631   6.198930   6.141989
    41  H    6.368979   6.075953   6.040433   7.468265   6.916973
    42  C    4.229633   3.927588   3.600571   5.177516   5.680716
    43  H    3.439642   2.974797   3.045909   4.419889   5.082408
    44  H    4.938768   4.506297   4.323328   5.791297   6.637642
    45  H    4.009402   3.976684   3.154225   4.874973   5.288400
    46  C    6.169213   6.096491   5.439310   7.167008   6.862856
    47  H    6.901693   6.829679   6.249836   7.939081   7.353578
    48  H    5.860733   5.981047   5.024897   6.799936   6.324234
    49  H    6.793569   6.655801   6.008794   7.739583   7.717295
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795934   0.000000
    13  H    1.791197   1.798165   0.000000
    14  C    5.486516   5.259007   6.816748   0.000000
    15  O    6.168700   6.192940   7.658947   1.242927   0.000000
    16  N    5.414882   4.799637   6.514991   1.360836   2.315782
    17  H    5.183016   4.994336   6.454781   1.108139   2.057634
    18  C    6.185379   5.537771   7.256218   2.468880   2.863382
    19  H    5.839411   5.044446   6.745828   3.269348   3.775767
    20  H    7.192207   6.410095   8.170870   3.079196   3.417747
    21  H    6.389677   6.027904   7.646073   2.575549   2.479204
    22  C    5.059199   4.042529   5.810125   2.466420   3.636263
    23  H    6.057579   4.870591   6.637140   3.175523   4.277767
    24  H    4.475758   3.275995   5.073952   3.195098   4.279562
    25  H    4.735639   3.829047   5.479319   2.550285   3.792391
    26  C    2.971235   4.607970   4.612794   5.641193   5.742755
    27  O    3.869843   5.487597   5.405480   6.407370   6.337403
    28  N    3.268036   4.592442   5.028414   4.465591   4.531445
    29  H    2.312869   4.079366   3.760543   6.069231   6.367931
    30  C    3.085412   4.116220   4.672160   4.033897   4.401680
    31  H    4.075636   5.089613   5.553827   4.438232   4.690358
    32  H    3.285516   3.850753   4.813769   2.992099   3.521790
    33  H    2.358656   3.490367   3.759839   4.744955   5.290300
    34  C    4.551438   5.672835   6.340423   4.143655   3.810260
    35  H    5.384374   6.591981   7.149390   4.787399   4.324875
    36  H    4.824957   5.975165   6.596728   4.688867   4.252163
    37  H    4.763892   5.563477   6.517136   3.104386   2.713165
    38  C    6.240850   6.259766   7.303319   5.893212   5.780691
    39  O    6.203657   6.064685   6.990985   6.618299   6.691534
    40  N    5.879418   6.275658   7.165738   5.739739   5.469666
    41  H    6.873242   6.747651   7.976502   5.581172   5.386147
    42  C    5.363899   6.065774   6.598718   6.486718   6.306426
    43  H    4.946143   5.508463   5.946183   6.750285   6.763311
    44  H    6.304821   7.095311   7.496774   7.469699   7.184955
    45  H    4.781222   5.736107   6.190927   6.074094   5.874971
    46  C    6.423874   6.927284   7.916510   5.259806   4.697686
    47  H    6.986048   7.261790   8.439921   4.967171   4.342963
    48  H    5.754469   6.400325   7.365651   4.582288   4.008586
    49  H    7.221450   7.874747   8.736715   6.202982   5.519769
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056750   0.000000
    18  C    1.465048   3.417217   0.000000
    19  H    2.098558   4.091306   1.101604   0.000000
    20  H    2.122092   3.985465   1.102815   1.791530   0.000000
    21  H    2.102815   3.653750   1.097713   1.797227   1.797172
    22  C    1.463217   2.561112   2.491310   2.612746   2.932829
    23  H    2.115293   3.305258   2.797975   2.935833   2.820918
    24  H    2.107083   3.349058   2.733199   2.397053   3.335737
    25  H    2.104590   2.155142   3.418255   3.632564   3.888807
    26  C    6.130995   5.466832   6.793123   6.758194   7.867641
    27  O    6.867349   6.392675   7.322055   7.241317   8.409153
    28  N    5.141454   4.244746   5.931313   6.082811   6.957174
    29  H    6.450373   5.756576   7.218361   7.098040   8.283822
    30  C    4.739564   3.478849   5.824985   6.042055   6.767492
    31  H    5.348562   3.748197   6.511752   6.862363   7.380469
    32  H    3.673688   2.422208   4.835096   5.116317   5.734632
    33  H    5.233556   4.127551   6.338250   6.403274   7.289334
    34  C    5.005077   4.168974   5.611735   5.938767   6.584013
    35  H    5.813779   4.708508   6.478869   6.907098   7.387500
    36  H    5.382985   4.918552   5.726257   5.946901   6.726966
    37  H    4.053905   3.229806   4.691704   5.149647   5.608928
    38  C    5.379635   6.720139   4.511179   3.946384   5.288752
    39  O    5.935305   7.365533   5.105027   4.318355   5.853262
    40  N    5.531870   6.493482   4.909929   4.562344   5.806422
    41  H    5.026829   6.522108   3.943129   3.493114   4.570015
    42  C    6.364653   7.060667   5.987619   5.578369   6.971515
    43  H    6.457473   7.263849   6.107069   5.526173   7.094604
    44  H    7.393880   8.065633   6.946535   6.555710   7.890127
    45  H    6.148687   6.530142   6.007149   5.732271   7.048595
    46  C    5.334283   6.071813   4.755373   4.739763   5.594990
    47  H    4.953942   5.908903   4.160620   4.243081   4.857507
    48  H    4.869368   5.281623   4.587070   4.701473   5.510656
    49  H    6.378401   6.992477   5.796861   5.815638   6.586065
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390344   0.000000
    23  H    3.831307   1.102401   0.000000
    24  H    3.607418   1.102565   1.789944   0.000000
    25  H    4.178349   1.098947   1.797626   1.795158   0.000000
    26  C    6.521737   6.450353   7.552514   6.183393   6.153064
    27  O    6.910378   7.322336   8.418874   6.997839   7.152680
    28  N    5.656251   5.582691   6.672029   5.521011   5.233774
    29  H    7.100209   6.522685   7.607617   6.178388   6.127036
    30  C    5.779754   4.918215   5.964321   4.990295   4.324933
    31  H    6.431353   5.576580   6.558841   5.810008   4.873380
    32  H    4.878683   3.872479   4.906917   4.054845   3.303657
    33  H    6.423379   5.126474   6.156204   5.040429   4.468768
    34  C    5.100407   5.804337   6.842478   5.892548   5.605470
    35  H    5.928624   6.640730   7.647712   6.833425   6.348184
    36  H    5.089840   6.260883   7.293692   6.222904   6.225031
    37  H    4.192773   4.977202   5.964238   5.201389   4.833606
    38  C    4.020885   6.092852   6.740140   5.536922   6.833161
    39  O    4.842230   6.387835   6.988587   5.652551   7.142140
    40  N    4.249944   6.368285   7.162878   5.909459   6.943929
    41  H    3.375609   5.877113   6.405181   5.460322   6.711143
    42  C    5.427609   7.030055   7.926552   6.469582   7.453125
    43  H    5.726427   6.909435   7.783293   6.203410   7.342595
    44  H    6.310383   8.111324   8.994006   7.560318   8.542488
    45  H    5.439064   6.825808   7.803556   6.352272   7.101017
    46  C    3.859606   6.429818   7.222096   6.214907   6.950190
    47  H    3.182452   6.151251   6.819637   6.032475   6.782241
    48  H    3.727123   5.967643   6.847851   5.837892   6.339912
    49  H    4.848914   7.508754   8.303013   7.310956   7.997390
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242787   0.000000
    28  N    1.360887   2.314799   0.000000
    29  H    1.107858   2.057824   2.057029   0.000000
    30  C    2.465968   3.634862   1.463254   2.562099   0.000000
    31  H    3.133020   4.224905   2.116919   3.254750   1.102994
    32  H    3.233805   4.325737   2.108027   3.396905   1.101865
    33  H    2.554541   3.796995   2.103304   2.163473   1.098584
    34  C    2.462874   2.851317   1.465270   3.413751   2.497123
    35  H    3.023964   3.322681   2.123651   3.941667   2.953499
    36  H    2.585590   2.501099   2.100449   3.659254   3.388772
    37  H    3.292869   3.808317   2.098254   4.115338   2.613516
    38  C    6.193239   5.964181   6.143575   6.774884   6.947572
    39  O    6.591188   6.379574   6.707750   7.006760   7.442236
    40  N    5.242601   4.865500   5.246598   5.962157   6.251085
    41  H    6.826384   6.686213   6.573437   7.455433   7.275194
    42  C    4.537797   3.945058   4.909745   5.192537   6.062674
    43  H    4.692278   4.222079   5.190815   5.131340   6.206695
    44  H    5.222537   4.416882   5.702255   5.912174   6.955050
    45  H    3.518791   2.890700   3.919639   4.268216   5.165837
    46  C    5.301153   4.946258   5.036018   6.194022   6.068179
    47  H    6.106806   5.892531   5.660913   6.970303   6.519041
    48  H    4.410083   4.171135   4.015042   5.350685   5.055803
    49  H    5.759507   5.199441   5.603135   6.719972   6.767326
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788093   0.000000
    33  H    1.798718   1.793743   0.000000
    34  C    2.817175   2.732153   3.420246   0.000000
    35  H    2.860016   3.347932   3.908889   1.103401   0.000000
    36  H    3.846813   3.598248   4.169425   1.097507   1.796363
    37  H    2.947360   2.392490   3.629078   1.099689   1.791229
    38  C    7.883708   6.530369   7.297348   5.828468   6.810897
    39  O    8.453402   7.053988   7.621869   6.629104   7.659138
    40  N    7.122933   5.991015   6.682349   4.815807   5.732741
    41  H    8.151717   6.725847   7.726089   6.098551   7.042492
    42  C    6.957326   6.045352   6.344881   4.736591   5.620746
    43  H    7.189065   6.179065   6.311245   5.297314   6.252496
    44  H    7.791948   7.016840   7.250751   5.435926   6.200321
    45  H    6.006991   5.272399   5.487639   3.770943   4.620043
    46  C    6.777089   5.780435   6.715628   4.220463   4.988451
    47  H    7.198672   6.062732   7.216955   4.776295   5.526754
    48  H    5.712489   4.817328   5.769298   3.124611   3.903763
    49  H    7.398732   6.596244   7.441234   4.679495   5.281678
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796348   0.000000
    38  C    5.136258   5.610098   0.000000
    39  O    5.971824   6.472693   1.242622   0.000000
    40  N    3.990484   4.767222   1.361207   2.316539   0.000000
    41  H    5.485112   5.700828   1.109000   2.058338   2.056636
    42  C    3.833576   5.000829   2.469376   2.864990   1.465212
    43  H    4.521628   5.544179   2.572544   2.475639   2.101687
    44  H    4.432485   5.795745   3.081409   3.425089   2.120578
    45  H    2.862857   4.186011   3.268823   3.772904   2.100698
    46  C    3.389172   4.071135   2.465474   3.635489   1.463164
    47  H    4.107767   4.384609   2.547937   3.789642   2.104446
    48  H    2.342619   2.996637   3.183684   4.266974   2.108253
    49  H    3.725589   4.687753   3.186525   4.290773   2.115192
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417638   0.000000
    43  H    3.651897   1.097779   0.000000
    44  H    3.986323   1.102805   1.797853   0.000000
    45  H    4.091703   1.100923   1.796125   1.791388   0.000000
    46  C    2.557975   2.492395   3.389393   2.935438   2.615672
    47  H    2.149562   3.419360   4.178693   3.885125   3.640267
    48  H    3.331077   2.744665   3.611979   3.354568   2.414769
    49  H    3.317836   2.790706   3.825495   2.817081   2.921774
                   46         47         48         49
    46  C    0.000000
    47  H    1.098794   0.000000
    48  H    1.102724   1.793832   0.000000
    49  H    1.102339   1.797722   1.790088   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143271      0.1934970      0.1842849
 Leave Link  202 at Mon Nov 14 02:05:07 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1245614214 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839881373 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9405732841 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4026
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.12D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     206
 GePol: Fraction of low-weight points (<1% of avg)   =       5.12%
 GePol: Cavity surface area                          =    466.956 Ang**2
 GePol: Cavity volume                                =    457.852 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040127138 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9365605703 Hartrees.
 Leave Link  301 at Mon Nov 14 02:05:07 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:05:08 2016, MaxMem=  2952790016 cpu:        13.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:05:08 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000005    0.001742   -0.000149
         Rot=    1.000000   -0.000068    0.000003   -0.000116 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50888698818    
 Leave Link  401 at Mon Nov 14 02:05:15 2016, MaxMem=  2952790016 cpu:        79.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48626028.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.44D-15 for   2472.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.48D-15 for   2042   1112.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   2698.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.49D-10 for   3272   2446.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.99D-15 for    121.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.02D-14 for   1948    659.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2747.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.49D-16 for   2104    893.
 E= -1013.45124204925    
 DIIS: error= 1.55D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45124204925     IErMin= 1 ErrMin= 1.55D-04
 ErrMax= 1.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-05 BMatP= 2.66D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.55D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.82D-05 MaxDP=1.15D-03              OVMax= 1.45D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.82D-05    CP:  1.00D+00
 E= -1013.45128579916     Delta-E=       -0.000043749917 Rises=F Damp=F
 DIIS: error= 2.74D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128579916     IErMin= 2 ErrMin= 2.74D-05
 ErrMax= 2.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-07 BMatP= 2.66D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.254D-01 0.975D+00
 Coeff:      0.254D-01 0.975D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.23D-06 MaxDP=3.76D-04 DE=-4.37D-05 OVMax= 5.89D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.14D-06    CP:  1.00D+00  9.69D-01
 E= -1013.45128385993     Delta-E=        0.000001939236 Rises=F Damp=F
 DIIS: error= 8.61D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128579916     IErMin= 2 ErrMin= 2.74D-05
 ErrMax= 8.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.92D-06 BMatP= 5.46D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.254D-02 0.708D+00 0.289D+00
 Coeff:      0.254D-02 0.708D+00 0.289D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.65D-06 MaxDP=3.20D-04 DE= 1.94D-06 OVMax= 5.22D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.83D-06    CP:  1.00D+00  9.84D-01  3.12D-01
 E= -1013.45128619923     Delta-E=       -0.000002339302 Rises=F Damp=F
 DIIS: error= 1.43D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128619923     IErMin= 4 ErrMin= 1.43D-05
 ErrMax= 1.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.29D-08 BMatP= 5.46D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.683D-04 0.282D+00 0.174D+00 0.544D+00
 Coeff:     -0.683D-04 0.282D+00 0.174D+00 0.544D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.24D-07 MaxDP=4.63D-05 DE=-2.34D-06 OVMax= 9.72D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.92D-07    CP:  1.00D+00  9.85D-01  3.49D-01  5.92D-01
 E= -1013.45128626232     Delta-E=       -0.000000063087 Rises=F Damp=F
 DIIS: error= 5.78D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128626232     IErMin= 5 ErrMin= 5.78D-06
 ErrMax= 5.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-08 BMatP= 8.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.259D-04 0.147D+00 0.998D-01 0.370D+00 0.383D+00
 Coeff:     -0.259D-04 0.147D+00 0.998D-01 0.370D+00 0.383D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.56D-07 MaxDP=1.78D-05 DE=-6.31D-08 OVMax= 1.89D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.57D-07    CP:  1.00D+00  9.85D-01  3.45D-01  6.15D-01  6.03D-01
 E= -1013.45128627281     Delta-E=       -0.000000010490 Rises=F Damp=F
 DIIS: error= 3.09D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128627281     IErMin= 6 ErrMin= 3.09D-07
 ErrMax= 3.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.89D-11 BMatP= 1.22D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-04 0.461D-01 0.323D-01 0.124D+00 0.152D+00 0.646D+00
 Coeff:     -0.175D-04 0.461D-01 0.323D-01 0.124D+00 0.152D+00 0.646D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.63D-08 MaxDP=1.57D-06 DE=-1.05D-08 OVMax= 2.23D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.23D-08    CP:  1.00D+00  9.85D-01  3.46D-01  6.18D-01  6.01D-01
                    CP:  9.17D-01
 E= -1013.45128627281     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 1.35D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45128627281     IErMin= 7 ErrMin= 1.35D-07
 ErrMax= 1.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-11 BMatP= 8.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-04 0.106D-01 0.778D-02 0.309D-01 0.446D-01 0.356D+00
 Coeff-Com:  0.550D+00
 Coeff:     -0.116D-04 0.106D-01 0.778D-02 0.309D-01 0.446D-01 0.356D+00
 Coeff:      0.550D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.26D-08 MaxDP=6.47D-07 DE=-4.55D-12 OVMax= 6.55D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.79D-09    CP:  1.00D+00  9.85D-01  3.46D-01  6.19D-01  6.02D-01
                    CP:  9.21D-01  7.30D-01
 E= -1013.45128627287     Delta-E=       -0.000000000062 Rises=F Damp=F
 DIIS: error= 3.35D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45128627287     IErMin= 8 ErrMin= 3.35D-08
 ErrMax= 3.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.12D-13 BMatP= 1.90D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.480D-05 0.262D-02 0.204D-02 0.813D-02 0.132D-01 0.135D+00
 Coeff-Com:  0.266D+00 0.574D+00
 Coeff:     -0.480D-05 0.262D-02 0.204D-02 0.813D-02 0.132D-01 0.135D+00
 Coeff:      0.266D+00 0.574D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.63D-09 MaxDP=3.69D-07 DE=-6.23D-11 OVMax= 5.54D-07

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45128627     A.U. after    8 cycles
            NFock=  8  Conv=0.46D-08     -V/T= 2.0213
 KE= 9.923492976577D+02 PE=-6.027388344320D+03 EE= 2.173651199820D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:06:57 2016, MaxMem=  2952790016 cpu:      1159.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 02:07:05 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:07:05 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:07:42 2016, MaxMem=  2952790016 cpu:       441.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23326838D+00-2.69346633D+00 3.27629758D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000007833    0.000025705   -0.000128474
      2        6          -0.000016164   -0.000038632   -0.000033674
      3        8           0.000046003    0.000052838   -0.000050743
      4        7          -0.000006060   -0.000020131    0.000030435
      5        1           0.000021974    0.000003799    0.000053342
      6        6          -0.000007918    0.000113849    0.000124399
      7        1           0.000023280    0.000014242    0.000006482
      8        1           0.000034512    0.000006029    0.000075539
      9        1           0.000032295   -0.000028388    0.000018524
     10        6           0.000044366    0.000032258    0.000034492
     11        1           0.000037314    0.000016624    0.000026096
     12        1           0.000035771    0.000011702    0.000001356
     13        1           0.000026976    0.000024493    0.000017122
     14        6           0.000003152   -0.000005720   -0.000032937
     15        8          -0.000016421   -0.000003300   -0.000033039
     16        7          -0.000005746   -0.000015708   -0.000026973
     17        1          -0.000002050    0.000001653   -0.000028237
     18        6          -0.000021194   -0.000001179   -0.000027609
     19        1           0.000007924    0.000001015   -0.000030360
     20        1           0.000001118   -0.000000985   -0.000048592
     21        1           0.000003716   -0.000001095   -0.000036133
     22        6           0.000013127    0.000012517   -0.000020138
     23        1           0.000013822    0.000015183   -0.000039526
     24        1           0.000009484    0.000011180   -0.000022194
     25        1           0.000011090    0.000006939   -0.000027888
     26        6          -0.000012587   -0.000008887    0.000012822
     27        8          -0.000014680   -0.000020348    0.000032885
     28        7          -0.000017855   -0.000035064    0.000030842
     29        1           0.000008618    0.000001026    0.000037506
     30        6           0.000014534    0.000044270    0.000027048
     31        1          -0.000021621   -0.000023172    0.000013752
     32        1           0.000002985    0.000003759   -0.000019005
     33        1           0.000015736    0.000000779    0.000016491
     34        6          -0.000015649    0.000020777    0.000009950
     35        1          -0.000023888   -0.000025175    0.000017481
     36        1          -0.000013531   -0.000016579    0.000015823
     37        1          -0.000020142   -0.000012982    0.000000113
     38        6          -0.000008699   -0.000006273   -0.000049623
     39        8          -0.000009245   -0.000009634    0.000027902
     40        7          -0.000042460   -0.000091884    0.000040215
     41        1          -0.000004149   -0.000016024   -0.000018340
     42        6          -0.000160396   -0.000024982    0.000102559
     43        1          -0.000011504   -0.000028886    0.000000133
     44        1           0.000130406    0.000036877   -0.000047413
     45        1          -0.000012291    0.000005202   -0.000009774
     46        6          -0.000029759   -0.000011069   -0.000044218
     47        1          -0.000023135   -0.000009122   -0.000002949
     48        1           0.000002224    0.000019285   -0.000001269
     49        1          -0.000031116   -0.000026784    0.000005800
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000160396 RMS     0.000035948
 Leave Link  716 at Mon Nov 14 02:07:42 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000047265 RMS     0.000006524
 Search for a local minimum.
 Step number  42 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .65244D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   32   33   34   35   36
                                                     37   38   39   40   41
                                                     42
 DE= -9.70D-07 DEPred=-6.62D-07 R= 1.47D+00
 Trust test= 1.47D+00 RLast= 7.50D-02 DXMaxT set to 1.33D+00
 ITU=  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0
     Eigenvalues ---    0.00008   0.00048   0.00098   0.00104   0.00173
     Eigenvalues ---    0.00244   0.00340   0.00373   0.00449   0.00475
     Eigenvalues ---    0.00620   0.00644   0.00717   0.00770   0.00808
     Eigenvalues ---    0.00851   0.00965   0.01008   0.01051   0.01087
     Eigenvalues ---    0.01188   0.01226   0.01287   0.01336   0.01404
     Eigenvalues ---    0.01485   0.01566   0.01638   0.01670   0.01729
     Eigenvalues ---    0.01768   0.01815   0.01866   0.01897   0.01953
     Eigenvalues ---    0.02040   0.02129   0.02231   0.02284   0.02409
     Eigenvalues ---    0.02457   0.02686   0.02746   0.03049   0.03141
     Eigenvalues ---    0.03779   0.03883   0.04377   0.04625   0.04711
     Eigenvalues ---    0.04867   0.05547   0.05937   0.06103   0.06194
     Eigenvalues ---    0.06445   0.06565   0.06878   0.07022   0.07114
     Eigenvalues ---    0.07333   0.07702   0.07962   0.07996   0.08106
     Eigenvalues ---    0.08202   0.08278   0.08373   0.08566   0.08660
     Eigenvalues ---    0.08800   0.08924   0.09021   0.09338   0.09604
     Eigenvalues ---    0.09778   0.09891   0.09985   0.10203   0.10352
     Eigenvalues ---    0.10459   0.10565   0.10622   0.10903   0.11225
     Eigenvalues ---    0.11349   0.11449   0.11470   0.12396   0.13195
     Eigenvalues ---    0.13466   0.13896   0.14586   0.15174   0.15313
     Eigenvalues ---    0.15590   0.16914   0.21888   0.23066   0.23553
     Eigenvalues ---    0.23821   0.24536   0.24828   0.25799   0.26640
     Eigenvalues ---    0.27163   0.27789   0.28589   0.29280   0.29702
     Eigenvalues ---    0.29849   0.31581   0.32727   0.32743   0.32821
     Eigenvalues ---    0.32827   0.33303   0.33348   0.33375   0.33386
     Eigenvalues ---    0.33416   0.33426   0.33480   0.33566   0.33690
     Eigenvalues ---    0.33793   0.33833   0.33855   0.33923   0.33936
     Eigenvalues ---    0.33996   0.34025   0.34175   0.37318   0.39259
     Eigenvalues ---    0.40507   0.41363   0.85969   0.86010   0.86090
     Eigenvalues ---    0.87280
 Eigenvalue     1 is   8.20D-05 Eigenvector:
                         D381      D383      D375      D373      D399
   1                   -0.18134  -0.17299  -0.17221  -0.17030  -0.16605
                         D397      D371      D369      D389      D395
   1                   -0.16083  -0.15970  -0.15847  -0.15556  -0.15422
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    42   41   40   39   38
 RFO step:  Lambda=-1.22720813D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.75D-06 SmlDif=  1.00D-05
 RMS Error=  0.3883234915D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.84212   -0.65324   -0.32710    0.23539   -0.09716
 Iteration  1 RMS(Cart)=  0.00270925 RMS(Int)=  0.00013123
 Iteration  2 RMS(Cart)=  0.00012357 RMS(Int)=  0.00000934
 Iteration  3 RMS(Cart)=  0.00000019 RMS(Int)=  0.00000934
 ITry= 1 IFail=0 DXMaxC= 2.71D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58806   0.00001  -0.00118  -0.00078  -0.00196   6.58610
    R2        6.26748  -0.00002   0.00094  -0.00024   0.00070   6.26818
    R3        7.26486  -0.00002   0.00130   0.00060   0.00191   7.26677
    R4        6.36335  -0.00001   0.00147   0.00118   0.00265   6.36600
    R5        6.52627   0.00001  -0.00029  -0.00001  -0.00031   6.52596
    R6        5.97285   0.00001  -0.00044   0.00015  -0.00029   5.97255
    R7        6.70041  -0.00001   0.00030  -0.00015   0.00014   6.70055
    R8        6.22773   0.00000  -0.00004   0.00013   0.00009   6.22782
    R9        6.65667   0.00000   0.00000   0.00006   0.00006   6.65673
   R10        6.07627   0.00000  -0.00051  -0.00039  -0.00090   6.07538
   R11        6.95874   0.00001   0.00039   0.00018   0.00057   6.95932
   R12        6.03022   0.00000   0.00050   0.00012   0.00062   6.03084
   R13        6.87140   0.00000  -0.00084  -0.00037  -0.00121   6.87019
   R14        6.19167   0.00000   0.00062   0.00040   0.00102   6.19269
   R15        6.86989   0.00000   0.00154   0.00075   0.00229   6.87217
   R16        5.96570   0.00000   0.00042   0.00008   0.00050   5.96620
   R17        6.68157  -0.00001   0.00040   0.00039   0.00079   6.68236
   R18        6.67844   0.00000   0.00251   0.00202   0.00451   6.68296
   R19        6.20848   0.00000  -0.00064  -0.00084  -0.00150   6.20698
   R20        6.62382   0.00000  -0.00435  -0.00293  -0.00730   6.61653
   R21        6.03766   0.00000   0.00499   0.00287   0.00791   6.04557
   R22        6.92568   0.00000   0.00109   0.00059   0.00166   6.92734
   R23        5.96265   0.00000  -0.00007  -0.00023  -0.00030   5.96235
   R24        2.34999  -0.00001   0.00002   0.00001   0.00003   2.35003
   R25        2.57139   0.00002   0.00005   0.00005   0.00010   2.57149
   R26        2.09460   0.00000   0.00000   0.00000   0.00000   2.09460
   R27        2.76495   0.00005  -0.00022   0.00007  -0.00014   2.76481
   R28        2.76819   0.00001  -0.00001   0.00003   0.00003   2.76821
   R29        2.07660  -0.00001   0.00003  -0.00001   0.00002   2.07662
   R30        2.08256   0.00001   0.00003   0.00003   0.00007   2.08263
   R31        2.08296   0.00000  -0.00001   0.00001   0.00000   2.08296
   R32        2.08121   0.00000  -0.00001   0.00001   0.00000   2.08121
   R33        2.07462   0.00000  -0.00001   0.00000  -0.00001   2.07462
   R34        2.08348   0.00000  -0.00002   0.00000  -0.00001   2.08346
   R35        2.34879   0.00000   0.00000   0.00000   0.00000   2.34879
   R36        2.57161  -0.00001  -0.00003  -0.00001  -0.00004   2.57157
   R37        2.09408   0.00000   0.00001   0.00000   0.00001   2.09409
   R38        2.76854   0.00000  -0.00002   0.00001  -0.00001   2.76853
   R39        2.76508  -0.00001  -0.00003  -0.00001  -0.00004   2.76504
   R40        2.08173   0.00000   0.00000   0.00001   0.00001   2.08174
   R41        2.08402   0.00000   0.00001   0.00000   0.00001   2.08403
   R42        2.07438   0.00000  -0.00002  -0.00001  -0.00003   2.07435
   R43        2.08324   0.00000   0.00000   0.00000   0.00000   2.08324
   R44        2.08355   0.00000  -0.00001  -0.00002  -0.00004   2.08350
   R45        2.07671   0.00000  -0.00001  -0.00001  -0.00002   2.07669
   R46        2.34853  -0.00001   0.00003   0.00001   0.00004   2.34856
   R47        2.57170   0.00000  -0.00002  -0.00002  -0.00004   2.57167
   R48        2.09355   0.00000  -0.00001  -0.00001  -0.00001   2.09353
   R49        2.76515  -0.00001  -0.00002  -0.00002  -0.00004   2.76511
   R50        2.76896  -0.00001  -0.00001  -0.00003  -0.00004   2.76891
   R51        2.08436   0.00000  -0.00001   0.00000  -0.00001   2.08435
   R52        2.08222   0.00000   0.00003   0.00002   0.00007   2.08229
   R53        2.07602   0.00000   0.00000   0.00000   0.00000   2.07603
   R54        2.08513   0.00000   0.00001   0.00001   0.00001   2.08514
   R55        2.07399   0.00000  -0.00003  -0.00002  -0.00005   2.07394
   R56        2.07811   0.00000   0.00001   0.00000   0.00001   2.07812
   R57        2.34822  -0.00003   0.00003  -0.00001   0.00003   2.34824
   R58        2.57231   0.00000  -0.00006  -0.00003  -0.00007   2.57224
   R59        2.09571   0.00000   0.00000   0.00000   0.00000   2.09571
   R60        2.76885   0.00004   0.00002   0.00016   0.00020   2.76905
   R61        2.76498  -0.00003   0.00016  -0.00001   0.00016   2.76514
   R62        2.07450   0.00001   0.00011   0.00004   0.00015   2.07465
   R63        2.08400  -0.00001   0.00001  -0.00002  -0.00002   2.08398
   R64        2.08044  -0.00001  -0.00010  -0.00007  -0.00014   2.08031
   R65        2.07642  -0.00001  -0.00005  -0.00002  -0.00007   2.07635
   R66        2.08385   0.00000   0.00006   0.00004   0.00010   2.08394
   R67        2.08312   0.00001  -0.00002   0.00001  -0.00002   2.08310
    A1        0.67966   0.00001  -0.00013   0.00000  -0.00013   0.67953
    A2        0.95620   0.00002  -0.00017   0.00001  -0.00016   0.95603
    A3        0.72773   0.00000   0.00008   0.00006   0.00013   0.72786
    A4        1.01960   0.00000   0.00008   0.00007   0.00015   1.01975
    A5        2.34015  -0.00001   0.00054   0.00023   0.00078   2.34093
    A6        2.01925  -0.00001   0.00083   0.00037   0.00121   2.02045
    A7        1.97263   0.00000   0.00111   0.00053   0.00164   1.97427
    A8        1.67863   0.00000   0.00119   0.00058   0.00177   1.68040
    A9        1.65032   0.00000   0.00069   0.00030   0.00099   1.65131
   A10        1.36838   0.00000   0.00077   0.00035   0.00112   1.36950
   A11        1.73628   0.00000  -0.00048  -0.00021  -0.00069   1.73559
   A12        2.04085   0.00000  -0.00032  -0.00016  -0.00048   2.04037
   A13        1.94441   0.00000  -0.00001  -0.00006  -0.00007   1.94433
   A14        2.03164  -0.00001  -0.00016  -0.00018  -0.00034   2.03129
   A15        2.43619   0.00000  -0.00041  -0.00021  -0.00061   2.43558
   A16        1.54617   0.00000   0.00189   0.00141   0.00331   1.54948
   A17        1.75889   0.00001   0.00113   0.00089   0.00202   1.76091
   A18        1.55676   0.00000  -0.00008   0.00005  -0.00002   1.55674
   A19        1.69927   0.00000   0.00067   0.00043   0.00109   1.70036
   A20        2.16899   0.00000   0.00107   0.00084   0.00190   2.17089
   A21        2.39155   0.00000   0.00077   0.00070   0.00147   2.39302
   A22        0.64154   0.00001  -0.00017  -0.00001  -0.00019   0.64135
   A23        0.65914   0.00000   0.00001   0.00003   0.00003   0.65918
   A24        2.39217   0.00000   0.00005   0.00001   0.00007   2.39223
   A25        2.21615   0.00000   0.00063   0.00031   0.00094   2.21709
   A26        2.31379   0.00000   0.00107   0.00055   0.00162   2.31542
   A27        2.04870   0.00000   0.00123   0.00064   0.00186   2.05057
   A28        1.80886   0.00000   0.00063   0.00031   0.00095   1.80981
   A29        1.56711   0.00000   0.00082   0.00041   0.00123   1.56834
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   A31        1.64185   0.00000  -0.00040  -0.00021  -0.00061   1.64123
   A32        1.59004   0.00000  -0.00024  -0.00016  -0.00040   1.58964
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   A35        1.80052   0.00000   0.00261   0.00180   0.00441   1.80493
   A36        1.88434   0.00001   0.00187   0.00128   0.00316   1.88749
   A37        1.55100   0.00000   0.00090   0.00058   0.00149   1.55249
   A38        1.57421   0.00000   0.00150   0.00085   0.00235   1.57656
   A39        2.25618   0.00000   0.00132   0.00088   0.00220   2.25837
   A40        2.35394  -0.00001   0.00082   0.00060   0.00143   2.35536
   A41        0.68799   0.00000  -0.00005  -0.00003  -0.00008   0.68791
   A42        0.74528   0.00000   0.00003   0.00000   0.00003   0.74531
   A43        2.65786   0.00000  -0.00034  -0.00022  -0.00056   2.65730
   A44        2.59415   0.00001   0.00046   0.00023   0.00070   2.59484
   A45        2.65100   0.00001   0.00098   0.00054   0.00152   2.65252
   A46        2.34634   0.00001   0.00103   0.00058   0.00161   2.34796
   A47        2.18652   0.00001   0.00052   0.00026   0.00078   2.18730
   A48        1.95160   0.00001   0.00070   0.00036   0.00106   1.95266
   A49        1.09995   0.00000  -0.00051  -0.00029  -0.00080   1.09915
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   A55        1.61172   0.00000   0.00220   0.00147   0.00367   1.61539
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   A57        1.19954  -0.00001   0.00175   0.00099   0.00273   1.20227
   A58        1.92782  -0.00001   0.00136   0.00086   0.00221   1.93004
   A59        1.97821  -0.00001   0.00089   0.00061   0.00150   1.97971
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   A62        2.59975   0.00000  -0.00061  -0.00031  -0.00092   2.59882
   A63        2.75986   0.00001   0.00012   0.00012   0.00024   2.76010
   A64        2.60643   0.00001   0.00093   0.00052   0.00146   2.60789
   A65        2.38359   0.00001   0.00043   0.00029   0.00072   2.38431
   A66        2.18867   0.00001   0.00067   0.00041   0.00109   2.18976
   A67        0.85668  -0.00001  -0.00055  -0.00028  -0.00083   0.85585
   A68        1.23263  -0.00001  -0.00050  -0.00026  -0.00076   1.23187
   A69        1.40996  -0.00001  -0.00051  -0.00026  -0.00076   1.40920
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   A72        1.67314   0.00000   0.00305   0.00192   0.00498   1.67812
   A73        1.52542   0.00000   0.00236   0.00143   0.00378   1.52920
   A74        1.10221  -0.00001   0.00185   0.00105   0.00292   1.10513
   A75        1.00155  -0.00001   0.00209   0.00110   0.00319   1.00474
   A76        1.76716  -0.00001   0.00130   0.00068   0.00197   1.76913
   A77        1.75799  -0.00002   0.00086   0.00047   0.00133   1.75932
   A78        1.99511   0.00000  -0.00013  -0.00009  -0.00021   1.99489
   A79        1.93503   0.00000   0.00037   0.00018   0.00055   1.93558
   A80        2.21099   0.00000   0.00073   0.00038   0.00111   2.21211
   A81        2.06693   0.00000   0.00107   0.00057   0.00164   2.06857
   A82        1.54593   0.00000   0.00054   0.00026   0.00081   1.54674
   A83        1.37801   0.00001   0.00079   0.00039   0.00119   1.37920
   A84        1.20165   0.00000  -0.00017  -0.00011  -0.00028   1.20137
   A85        1.38652   0.00000  -0.00015  -0.00012  -0.00027   1.38625
   A86        1.21765   0.00000  -0.00006  -0.00010  -0.00016   1.21749
   A87        1.32355  -0.00001  -0.00038  -0.00029  -0.00067   1.32287
   A88        1.81347   0.00000  -0.00018  -0.00015  -0.00034   1.81313
   A89        2.23263   0.00001   0.00252   0.00177   0.00429   2.23692
   A90        2.29315   0.00000   0.00207   0.00139   0.00347   2.29662
   A91        1.91007   0.00000   0.00140   0.00088   0.00228   1.91235
   A92        1.83825  -0.00001   0.00202   0.00115   0.00317   1.84142
   A93        2.60377   0.00000   0.00122   0.00074   0.00195   2.60572
   A94        2.55188  -0.00001   0.00051   0.00027   0.00078   2.55266
   A95        1.91388   0.00000  -0.00040  -0.00025  -0.00065   1.91324
   A96        1.98951   0.00000   0.00008   0.00002   0.00010   1.98961
   A97        2.36353   0.00000   0.00037   0.00017   0.00054   2.36407
   A98        2.31508   0.00000   0.00089   0.00046   0.00135   2.31644
   A99        1.65878   0.00000   0.00040   0.00018   0.00059   1.65936
   A100       1.56384   0.00000   0.00071   0.00034   0.00105   1.56488
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   A103       0.93284   0.00000  -0.00020  -0.00017  -0.00038   0.93246
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   A106       2.39966   0.00001   0.00300   0.00202   0.00502   2.40469
   A107       2.29655   0.00000   0.00231   0.00148   0.00380   2.30035
   A108       1.86830   0.00000   0.00194   0.00120   0.00314   1.87144
   A109       1.70299  -0.00001   0.00228   0.00131   0.00359   1.70658
   A110       2.45003   0.00000   0.00083   0.00041   0.00123   2.45126
   A111       2.29186  -0.00001   0.00027   0.00008   0.00034   2.29221
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   A119       0.91871   0.00000   0.00012   0.00006   0.00018   0.91889
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   A126       1.50234   0.00001  -0.00114  -0.00081  -0.00195   1.50039
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   A251       1.92747   0.00000  -0.00008  -0.00003  -0.00011   1.92736
   A252       1.91113   0.00000  -0.00006  -0.00003  -0.00009   1.91104
   A253       1.89773   0.00000  -0.00001   0.00000  -0.00001   1.89772
   A254       1.91310   0.00000   0.00004  -0.00001   0.00002   1.91312
   A255       1.72255  -0.00001  -0.00032  -0.00012  -0.00044   1.72211
   A256       1.76639   0.00000   0.00058   0.00011   0.00068   1.76707
   A257       2.19100  -0.00001  -0.00004  -0.00002  -0.00006   2.19094
   A258       2.12984   0.00000   0.00000   0.00002   0.00002   2.12987
   A259       1.96213   0.00000   0.00004   0.00000   0.00004   1.96218
   A260       2.12462   0.00000   0.00007   0.00003   0.00010   2.12472
   A261       2.12339   0.00000   0.00000  -0.00002  -0.00003   2.12337
   A262       2.03494   0.00000  -0.00006  -0.00001  -0.00007   2.03487
   A263       1.34908  -0.00001   0.00047   0.00025   0.00072   1.34980
   A264       1.90017   0.00000   0.00009   0.00003   0.00012   1.90030
   A265       1.93158   0.00000  -0.00009  -0.00003  -0.00012   1.93146
   A266       1.91009   0.00000   0.00007   0.00000   0.00007   1.91016
   A267       1.89754   0.00000  -0.00008  -0.00003  -0.00010   1.89744
   A268       1.91298   0.00000   0.00002   0.00002   0.00004   1.91302
   A269       1.91133   0.00001  -0.00001   0.00001   0.00000   1.91133
   A270       2.66672   0.00000  -0.00006  -0.00005  -0.00011   2.66660
   A271       1.69669   0.00000   0.00005   0.00005   0.00010   1.69679
   A272       1.92474   0.00000  -0.00003  -0.00001  -0.00003   1.92471
   A273       1.91314   0.00000  -0.00008  -0.00003  -0.00012   1.91302
   A274       1.91348   0.00000   0.00001   0.00001   0.00001   1.91349
   A275       1.89438   0.00000   0.00000   0.00000   0.00000   1.89438
   A276       1.91100   0.00000   0.00004   0.00000   0.00004   1.91104
   A277       1.90691   0.00000   0.00007   0.00002   0.00009   1.90700
   A278       1.80544  -0.00001  -0.00133  -0.00058  -0.00191   1.80353
   A279       1.75290   0.00001   0.00092   0.00045   0.00137   1.75426
   A280       2.18948  -0.00001   0.00008  -0.00004   0.00003   2.18951
   A281       2.13082   0.00000  -0.00009   0.00003  -0.00006   2.13076
   A282       1.96281   0.00001   0.00002   0.00001   0.00002   1.96283
   A283       2.12262  -0.00001   0.00013   0.00004   0.00017   2.12279
   A284       2.11556  -0.00001   0.00018   0.00002   0.00020   2.11576
   A285       2.04223   0.00002  -0.00028  -0.00004  -0.00033   2.04190
   A286       2.70287  -0.00001  -0.00143  -0.00070  -0.00213   2.70074
   A287       1.65712   0.00001   0.00132   0.00064   0.00196   1.65909
   A288       1.92634   0.00000  -0.00020  -0.00004  -0.00025   1.92609
   A289       1.91514   0.00000  -0.00007  -0.00001  -0.00008   1.91506
   A290       1.91203   0.00001   0.00011   0.00005   0.00016   1.91219
   A291       1.89165   0.00000  -0.00009  -0.00004  -0.00013   1.89152
   A292       1.91242   0.00000   0.00013   0.00005   0.00018   1.91260
   A293       1.90605  -0.00001   0.00012  -0.00001   0.00011   1.90616
   A294       1.34829   0.00000   0.00108   0.00067   0.00175   1.35004
   A295       1.15528   0.00000  -0.00082  -0.00049  -0.00130   1.15397
   A296       1.93287   0.00000  -0.00017  -0.00008  -0.00025   1.93262
   A297       1.90676   0.00001   0.00006   0.00002   0.00008   1.90684
   A298       1.90147  -0.00001   0.00013   0.00007   0.00020   1.90167
   A299       1.90957   0.00000   0.00004   0.00002   0.00006   1.90964
   A300       1.89875   0.00000  -0.00015  -0.00010  -0.00025   1.89850
   A301       1.91433   0.00000   0.00008   0.00006   0.00015   1.91449
   A302       1.71454   0.00001  -0.00014   0.00038   0.00024   1.71478
   A303       1.77217   0.00000   0.00143   0.00060   0.00203   1.77420
   A304       2.19216   0.00001  -0.00027  -0.00008  -0.00035   2.19181
   A305       2.13026   0.00000   0.00001   0.00000   0.00001   2.13027
   A306       1.96049  -0.00001   0.00026   0.00007   0.00034   1.96083
   A307       2.12466  -0.00001  -0.00039  -0.00026  -0.00063   2.12403
   A308       2.12162   0.00001   0.00014   0.00012   0.00024   2.12186
   A309       2.03622   0.00000   0.00028   0.00018   0.00045   2.03667
   A310       1.35014  -0.00001  -0.00656  -0.00409  -0.01063   1.33951
   A311       3.00595   0.00000   0.00666   0.00411   0.01075   3.01669
   A312       1.90826   0.00000   0.00006  -0.00005  -0.00001   1.90825
   A313       1.92927   0.00000   0.00016   0.00010   0.00007   1.92934
   A314       1.90363   0.00000  -0.00035  -0.00023  -0.00060   1.90303
   A315       1.91234   0.00001   0.00000   0.00007   0.00015   1.91249
   A316       1.91204  -0.00001  -0.00016  -0.00012  -0.00024   1.91180
   A317       1.89819   0.00000   0.00029   0.00023   0.00062   1.89881
   A318       1.72014   0.00001   0.00162   0.00153   0.00315   1.72329
   A319       1.91350  -0.00001  -0.00008  -0.00002  -0.00010   1.91340
   A320       1.91466   0.00000  -0.00006   0.00000  -0.00006   1.91460
   A321       1.92473   0.00000  -0.00001   0.00000  -0.00001   1.92472
   A322       1.90482   0.00002  -0.00008   0.00007  -0.00002   1.90481
   A323       1.91143  -0.00001   0.00011  -0.00005   0.00006   1.91149
   A324       1.89448  -0.00001   0.00012   0.00000   0.00013   1.89461
   A325       2.92883   0.00001   0.00093   0.00054   0.00147   2.93030
   A326       3.34958   0.00000   0.00136   0.00073   0.00208   3.35167
   A327       3.06765   0.00000   0.00144   0.00077   0.00221   3.06986
   A328       3.19517   0.00001  -0.00025   0.00003  -0.00022   3.19495
   A329       3.26041   0.00000   0.00046   0.00026   0.00072   3.26113
   A330       3.25786   0.00000   0.00112   0.00069   0.00181   3.25967
   A331       3.63157   0.00000   0.00173   0.00148   0.00321   3.63478
   A332       3.20917   0.00000  -0.00010   0.00002  -0.00008   3.20909
   A333       3.01042   0.00000  -0.00234  -0.00132  -0.00366   3.00675
   A334       2.94683   0.00000  -0.00262  -0.00145  -0.00408   2.94275
   A335       3.23050   0.00000   0.00027  -0.00012   0.00015   3.23066
   A336       3.07986   0.00000  -0.00012  -0.00013  -0.00025   3.07961
   A337       3.10484   0.00000  -0.00050  -0.00029  -0.00079   3.10404
   A338       3.03705   0.00000   0.00010   0.00008   0.00018   3.03723
    D1        2.75922   0.00001   0.00055   0.00001   0.00055   2.75977
    D2       -1.36175   0.00001   0.00009  -0.00006   0.00003  -1.36173
    D3        2.78115   0.00000   0.00058   0.00013   0.00071   2.78186
    D4       -1.33982   0.00000   0.00013   0.00006   0.00018  -1.33964
    D5        1.66491   0.00001   0.00061   0.00011   0.00073   1.66564
    D6       -2.45606   0.00001   0.00016   0.00004   0.00020  -2.45586
    D7        1.84671   0.00000   0.00062   0.00008   0.00070   1.84741
    D8       -2.27426   0.00000   0.00016   0.00001   0.00017  -2.27409
    D9        0.32158   0.00000   0.00151   0.00054   0.00205   0.32363
   D10        2.48379   0.00000   0.00105   0.00047   0.00152   2.48532
   D11        0.03988   0.00000   0.00092   0.00022   0.00114   0.04102
   D12        2.20209   0.00000   0.00046   0.00015   0.00061   2.20271
   D13       -0.42802   0.00000   0.00068   0.00011   0.00079  -0.42723
   D14        1.73419   0.00000   0.00022   0.00004   0.00026   1.73446
   D15       -0.54728   0.00000   0.00046  -0.00002   0.00044  -0.54683
   D16        1.61494   0.00000   0.00000  -0.00009  -0.00008   1.61485
   D17        0.22141  -0.00001   0.00056   0.00004   0.00061   0.22201
   D18        2.38362   0.00000   0.00011  -0.00003   0.00008   2.38370
   D19        0.15782   0.00000   0.00028  -0.00009   0.00019   0.15801
   D20        2.32003   0.00000  -0.00018  -0.00016  -0.00033   2.31970
   D21        2.40645  -0.00001   0.00126   0.00035   0.00160   2.40805
   D22       -1.71452   0.00000   0.00080   0.00028   0.00108  -1.71344
   D23        2.16141  -0.00001   0.00139   0.00038   0.00178   2.16318
   D24       -1.95957   0.00000   0.00094   0.00031   0.00125  -1.95832
   D25        1.71925   0.00000   0.00147   0.00044   0.00191   1.72116
   D26       -2.40172   0.00000   0.00101   0.00037   0.00138  -2.40034
   D27        1.41174   0.00000   0.00157   0.00049   0.00206   1.41380
   D28       -2.70923   0.00000   0.00112   0.00042   0.00153  -2.70770
   D29        2.37083   0.00000   0.00149   0.00040   0.00189   2.37272
   D30       -1.75014   0.00000   0.00103   0.00033   0.00136  -1.74878
   D31       -1.78829   0.00000   0.00301   0.00148   0.00449  -1.78380
   D32        0.37392   0.00000   0.00255   0.00141   0.00396   0.37788
   D33       -2.12328   0.00000   0.00266   0.00126   0.00392  -2.11936
   D34        0.03893   0.00000   0.00220   0.00119   0.00340   0.04233
   D35       -2.50516   0.00000   0.00298   0.00146   0.00445  -2.50071
   D36       -0.34295   0.00000   0.00253   0.00139   0.00392  -0.33903
   D37       -2.78901   0.00000   0.00290   0.00136   0.00427  -2.78474
   D38       -0.62679   0.00000   0.00245   0.00129   0.00374  -0.62305
   D39       -2.12444   0.00000   0.00145   0.00043   0.00187  -2.12257
   D40        0.03777   0.00000   0.00099   0.00036   0.00135   0.03912
   D41       -2.36842  -0.00001   0.00100   0.00017   0.00117  -2.36725
   D42       -0.20620   0.00000   0.00054   0.00010   0.00064  -0.20556
   D43        1.26365   0.00001  -0.00011  -0.00027  -0.00038   1.26328
   D44       -1.92389   0.00001  -0.00052   0.00028  -0.00024  -1.92413
   D45        2.46041   0.00000   0.00018  -0.00015   0.00004   2.46044
   D46       -0.72714   0.00000  -0.00023   0.00041   0.00018  -0.72696
   D47        2.94703   0.00000   0.00019  -0.00014   0.00005   2.94708
   D48       -0.24052   0.00000  -0.00023   0.00042   0.00019  -0.24033
   D49        2.85882   0.00001   0.00138   0.00058   0.00196   2.86077
   D50       -0.32873   0.00001   0.00096   0.00113   0.00210  -0.32664
   D51        2.05243   0.00000   0.00108   0.00041   0.00150   2.05393
   D52       -1.13512   0.00000   0.00067   0.00097   0.00164  -1.13348
   D53        1.17441  -0.00001   0.00003  -0.00014  -0.00011   1.17429
   D54       -2.01314  -0.00001  -0.00039   0.00042   0.00003  -2.01312
   D55        1.03306  -0.00001  -0.00044  -0.00042  -0.00086   1.03219
   D56       -2.15449   0.00000  -0.00085   0.00013  -0.00072  -2.15521
   D57        2.02969   0.00000   0.00022  -0.00007   0.00015   2.02984
   D58       -1.15786   0.00000  -0.00020   0.00049   0.00029  -1.15757
   D59        1.83728   0.00000  -0.00011  -0.00024  -0.00034   1.83693
   D60       -1.35027   0.00000  -0.00053   0.00032  -0.00020  -1.35048
   D61       -2.27031   0.00000   0.00055   0.00003   0.00058  -2.26973
   D62        0.82532   0.00000   0.00013   0.00059   0.00072   0.82605
   D63       -2.40721   0.00000   0.00049  -0.00001   0.00048  -2.40673
   D64        0.68843   0.00000   0.00008   0.00054   0.00062   0.68905
   D65       -2.81018   0.00000   0.00061   0.00004   0.00064  -2.80953
   D66        0.28546   0.00000   0.00019   0.00059   0.00078   0.28624
   D67       -2.98777   0.00000   0.00050  -0.00004   0.00045  -2.98732
   D68        0.10786   0.00000   0.00008   0.00051   0.00059   0.10845
   D69       -2.13207   0.00000   0.00039  -0.00007   0.00032  -2.13175
   D70        0.96357   0.00001  -0.00002   0.00048   0.00046   0.96403
   D71       -0.16304   0.00000   0.00065   0.00000   0.00066  -0.16238
   D72        2.93260   0.00000   0.00024   0.00056   0.00080   2.93340
   D73       -0.55681   0.00000   0.00083   0.00014   0.00097  -0.55583
   D74        2.53883   0.00000   0.00042   0.00070   0.00111   2.53994
   D75       -0.74539   0.00000   0.00203   0.00097   0.00300  -0.74239
   D76        2.35025   0.00000   0.00161   0.00153   0.00314   2.35339
   D77       -1.08324   0.00000   0.00177   0.00081   0.00258  -1.08066
   D78        2.01239   0.00000   0.00135   0.00136   0.00272   2.01511
   D79       -0.82462   0.00000  -0.00022  -0.00059  -0.00081  -0.82543
   D80        2.27102   0.00000  -0.00063  -0.00003  -0.00067   2.27035
   D81       -1.13107   0.00000  -0.00033  -0.00065  -0.00099  -1.13206
   D82        1.96457   0.00000  -0.00075  -0.00010  -0.00085   1.96372
   D83       -1.53373   0.00001   0.00015  -0.00002   0.00013  -1.53360
   D84       -2.60868   0.00000   0.00040   0.00000   0.00040  -2.60828
   D85       -2.94818  -0.00001   0.00038   0.00003   0.00042  -2.94776
   D86        0.73222   0.00000   0.00109   0.00042   0.00151   0.73374
   D87        0.31006   0.00000   0.00101   0.00036   0.00138   0.31144
   D88       -0.06608   0.00000   0.00125   0.00050   0.00175  -0.06434
   D89       -0.40040   0.00000   0.00086   0.00030   0.00116  -0.39924
   D90        0.18498   0.00000   0.00056   0.00013   0.00069   0.18567
   D91       -0.05185   0.00000   0.00042   0.00006   0.00048  -0.05137
   D92        2.40351   0.00000   0.00101   0.00032   0.00133   2.40485
   D93        2.05457   0.00000   0.00093   0.00027   0.00120   2.05577
   D94        1.66178   0.00000   0.00100   0.00031   0.00131   1.66309
   D95        1.37437   0.00000   0.00099   0.00029   0.00127   1.37564
   D96        2.05601   0.00000   0.00085   0.00024   0.00109   2.05710
   D97       -1.93276   0.00000   0.00243   0.00118   0.00362  -1.92914
   D98       -2.44270  -0.00001   0.00156   0.00058   0.00214  -2.44056
   D99       -2.67269   0.00000   0.00217   0.00107   0.00325  -2.66944
   D100      -2.99642   0.00000   0.00142   0.00063   0.00205  -2.99436
   D101      -2.87319  -0.00001  -0.00077  -0.00108  -0.00186  -2.87505
   D102       2.87365   0.00000  -0.00108  -0.00124  -0.00232   2.87133
   D103      -2.89085   0.00000  -0.00155  -0.00080  -0.00235  -2.89320
   D104       1.20616   0.00000  -0.00163  -0.00081  -0.00244   1.20372
   D105       2.82195   0.00000  -0.00190  -0.00099  -0.00289   2.81906
   D106       0.63577   0.00000  -0.00198  -0.00100  -0.00298   0.63279
   D107       2.32755  -0.00001  -0.00214  -0.00118  -0.00331   2.32424
   D108       0.14137  -0.00001  -0.00221  -0.00119  -0.00341   0.13797
   D109       1.76917  -0.00001  -0.00145  -0.00089  -0.00234   1.76684
   D110      -0.41701  -0.00001  -0.00153  -0.00090  -0.00243  -0.41944
   D111       2.60128   0.00000  -0.00137  -0.00072  -0.00209   2.59918
   D112       0.41509   0.00000  -0.00145  -0.00073  -0.00218   0.41291
   D113       2.26406   0.00000  -0.00127  -0.00066  -0.00193   2.26213
   D114       0.07788   0.00000  -0.00135  -0.00067  -0.00202   0.07586
   D115      -1.61088   0.00001  -0.00011  -0.00005  -0.00016  -1.61104
   D116       2.48612   0.00001  -0.00019  -0.00006  -0.00025   2.48588
   D117      -1.77278   0.00000  -0.00001   0.00002   0.00001  -1.77277
   D118       2.32422   0.00000  -0.00009   0.00000  -0.00008   2.32414
   D119      -2.73463   0.00000  -0.00007  -0.00002  -0.00009  -2.73472
   D120       1.36237   0.00000  -0.00015  -0.00003  -0.00018   1.36220
   D121      -2.69776   0.00000  -0.00006  -0.00003  -0.00010  -2.69785
   D122       1.39925   0.00000  -0.00014  -0.00005  -0.00019   1.39906
   D123       1.33368   0.00000  -0.00115  -0.00056  -0.00171   1.33197
   D124      -0.85250   0.00000  -0.00123  -0.00057  -0.00180  -0.85430
   D125       1.30319   0.00000  -0.00118  -0.00055  -0.00173   1.30146
   D126      -0.88299   0.00000  -0.00126  -0.00057  -0.00182  -0.88482
   D127       1.65876   0.00000  -0.00130  -0.00059  -0.00189   1.65687
   D128      -0.52742   0.00000  -0.00138  -0.00061  -0.00198  -0.52940
   D129       1.78206   0.00000  -0.00102  -0.00040  -0.00142   1.78065
   D130      -0.40412   0.00000  -0.00110  -0.00041  -0.00151  -0.40563
   D131       0.90234   0.00000  -0.00114  -0.00053  -0.00168   0.90066
   D132      -1.28385   0.00000  -0.00122  -0.00055  -0.00177  -1.28561
   D133      -0.94342   0.00000  -0.00117  -0.00044  -0.00162  -0.94504
   D134      -3.12960   0.00000  -0.00125  -0.00045  -0.00171  -3.13131
   D135      -0.51289   0.00000  -0.00183  -0.00090  -0.00273  -0.51562
   D136      -2.69907   0.00000  -0.00191  -0.00091  -0.00282  -2.70189
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   D355      -1.68901   0.00000   0.00646   0.00441   0.01086  -1.67815
   D356       3.05548   0.00000   0.00508   0.00340   0.00844   3.06392
   D357      -1.04202   0.00000   0.00551   0.00372   0.00920  -1.03282
   D358       2.54623   0.00000   0.00211   0.00145   0.00356   2.54980
   D359      -1.55127   0.00000   0.00254   0.00178   0.00432  -1.54695
   D360       1.61475  -0.00001  -0.00065  -0.00052  -0.00117   1.61358
   D361      -2.48275   0.00000  -0.00022  -0.00019  -0.00041  -2.48317
   D362       1.77545  -0.00001   0.00125   0.00064   0.00187   1.77732
   D363      -2.32205  -0.00001   0.00167   0.00096   0.00262  -2.31943
   D364       2.74076  -0.00001  -0.00018  -0.00018  -0.00036   2.74040
   D365      -1.35674  -0.00001   0.00024   0.00015   0.00039  -1.35635
   D366       2.71403  -0.00001   0.00046   0.00035   0.00081   2.71484
   D367      -1.38347  -0.00001   0.00088   0.00068   0.00156  -1.38191
   D368       0.03513   0.00000  -0.00015   0.00019   0.00003   0.03516
   D369      -2.64376   0.00000   0.00992   0.00595   0.01587  -2.62790
   D370       0.43485   0.00000  -0.00008   0.00024   0.00015   0.43500
   D371      -2.24404   0.00000   0.00998   0.00601   0.01599  -2.22806
   D372       0.64064   0.00001   0.00043   0.00059   0.00102   0.64166
   D373      -2.03825   0.00001   0.01050   0.00636   0.01685  -2.02140
   D374       0.91240   0.00001   0.00044   0.00059   0.00102   0.91342
   D375      -1.76649   0.00001   0.01051   0.00635   0.01685  -1.74964
   D376       0.68386   0.00001  -0.00079  -0.00015  -0.00094   0.68291
   D377      -1.99504   0.00001   0.00928   0.00562   0.01489  -1.98015
   D378       1.02101   0.00001  -0.00052   0.00002  -0.00050   1.02051
   D379      -1.65788   0.00001   0.00955   0.00578   0.01533  -1.64255
   D380      -2.79289   0.00000   0.00088   0.00086   0.00173  -2.79116
   D381       0.81141   0.00000   0.01094   0.00662   0.01756   0.82897
   D382      -2.23180   0.00000   0.00033   0.00055   0.00086  -2.23094
   D383       1.37249   0.00000   0.01039   0.00631   0.01669   1.38919
   D384      -1.98164   0.00000  -0.00086  -0.00014  -0.00101  -1.98265
   D385       1.62265   0.00000   0.00921   0.00562   0.01482   1.63748
   D386      -1.64638   0.00000  -0.00132  -0.00042  -0.00174  -1.64812
   D387       1.95791   0.00000   0.00874   0.00534   0.01409   1.97200
   D388      -1.69994   0.00000  -0.00080  -0.00015  -0.00096  -1.70090
   D389       1.90436   0.00000   0.00926   0.00561   0.01487   1.91923
   D390      -1.09417   0.00000  -0.00349  -0.00170  -0.00518  -1.09935
   D391       2.51012   0.00000   0.00657   0.00406   0.01066   2.52078
   D392       1.77742   0.00000  -0.00070  -0.00009  -0.00080   1.77662
   D393      -0.90147   0.00000   0.00936   0.00568   0.01504  -0.88644
   D394       2.07585   0.00000  -0.00046   0.00004  -0.00043   2.07542
   D395      -0.60304   0.00000   0.00960   0.00580   0.01540  -0.58764
   D396       2.01735   0.00000   0.00008   0.00033   0.00041   2.01776
   D397      -0.66154   0.00000   0.01014   0.00610   0.01624  -0.64530
   D398       2.21326   0.00000   0.00026   0.00046   0.00073   2.21398
   D399      -0.46563   0.00000   0.01033   0.00622   0.01656  -0.44908
   D400       2.47886   0.00000  -0.00068  -0.00012  -0.00080   2.47806
   D401      -0.20004   0.00000   0.00938   0.00565   0.01504  -0.18500
   D402      -1.51429   0.00000  -0.00312  -0.00191  -0.00503  -1.51932
   D403       2.09000   0.00000   0.00694   0.00386   0.01081   2.10081
   D404      -2.61514   0.00000  -0.00273  -0.00160  -0.00433  -2.61947
   D405       0.98915   0.00000   0.00734   0.00416   0.01150   1.00066
   D406      -2.98172   0.00000  -0.00212  -0.00114  -0.00326  -2.98498
   D407       0.62257   0.00000   0.00794   0.00463   0.01257   0.63514
   D408       1.88327   0.00000   0.00214   0.00132   0.00345   1.88672
   D409       2.37243   0.00000   0.00258   0.00169   0.00428   2.37670
   D410       2.60543   0.00001   0.00257   0.00167   0.00424   2.60968
   D411       2.84035   0.00001   0.00257   0.00160   0.00417   2.84452
   D412       2.78356   0.00001   0.00343   0.00244   0.00588   2.78943
   D413      -3.00063   0.00000   0.00385   0.00256   0.00642  -2.99422
   D414      -0.77888   0.00000   0.00178   0.00110   0.00288  -0.77600
   D415      -0.39755   0.00000   0.00176   0.00108   0.00283  -0.39472
   D416      -0.08946   0.00000   0.00174   0.00114   0.00288  -0.08658
   D417       0.21969   0.00000   0.00176   0.00113   0.00289   0.22259
   D418      -0.25953   0.00000   0.00175   0.00095   0.00270  -0.25682
   D419       0.05663   0.00000   0.00131   0.00065   0.00197   0.05860
   D420      -2.59012   0.00000   0.00191   0.00124   0.00315  -2.58697
   D421      -2.20704   0.00000   0.00197   0.00126   0.00322  -2.20382
   D422      -1.96666   0.00000   0.00239   0.00150   0.00389  -1.96277
   D423      -1.65024   0.00000   0.00215   0.00134   0.00349  -1.64675
   D424      -1.98809   0.00000   0.00152   0.00096   0.00248  -1.98561
   D425       1.34463  -0.00001  -0.00066  -0.00058  -0.00125   1.34338
   D426       2.49084   0.00000  -0.00071  -0.00061  -0.00132   2.48952
   D427       2.95452   0.00000   0.00047   0.00010   0.00054   2.95506
   D428      -3.06660  -0.00003   0.00198   0.00009   0.00208  -3.06452
   D429       0.02924  -0.00003   0.00068   0.00028   0.00096   0.03021
   D430       0.04679  -0.00003   0.00205   0.00009   0.00214   0.04893
   D431      -3.14056  -0.00003   0.00075   0.00028   0.00103  -3.13953
   D432      -0.08199  -0.00001  -0.00016  -0.00029  -0.00045  -0.08244
   D433       2.01632   0.00001  -0.00069  -0.00021  -0.00089   2.01543
   D434      -2.17998  -0.00002  -0.00031  -0.00025  -0.00056  -2.18054
   D435       3.10300  -0.00002   0.00108  -0.00046   0.00061   3.10361
   D436      -1.08188   0.00000   0.00056  -0.00038   0.00017  -1.08171
   D437       1.00500  -0.00002   0.00093  -0.00042   0.00051   1.00551
   D438      -2.36330  -0.00001   0.00123   0.00022   0.00145  -2.36185
   D439      -0.27254   0.00000   0.00123   0.00023   0.00146  -0.27108
   D440       1.83470  -0.00001   0.00116   0.00021   0.00136   1.83606
   D441       0.73484   0.00000  -0.00002   0.00040   0.00038   0.73522
   D442       2.82559   0.00000  -0.00002   0.00041   0.00039   2.82598
   D443      -1.35035   0.00000  -0.00009   0.00038   0.00029  -1.35006
   D444      -0.00125   0.00000  -0.00060   0.00003  -0.00057  -0.00182
   D445       3.11602  -0.00001  -0.00020  -0.00011  -0.00031   3.11571
   D446      -3.12122   0.00001  -0.00070  -0.00006  -0.00076  -3.12198
   D447      -0.00395   0.00000  -0.00030  -0.00020  -0.00050  -0.00445
   D448       2.42889   0.00000  -0.00023  -0.00043  -0.00066   2.42823
   D449      -1.76968   0.00000  -0.00032  -0.00046  -0.00078  -1.77046
   D450       0.33831   0.00000  -0.00035  -0.00047  -0.00082   0.33749
   D451      -0.68955   0.00000  -0.00061  -0.00030  -0.00091  -0.69046
   D452       1.39507   0.00000  -0.00070  -0.00033  -0.00103   1.39404
   D453      -2.78013   0.00001  -0.00073  -0.00034  -0.00107  -2.78120
   D454       2.05796   0.00001  -0.00024   0.00017  -0.00007   2.05790
   D455      -2.14056   0.00000  -0.00031   0.00015  -0.00016  -2.14072
   D456      -0.04745   0.00001  -0.00027   0.00017  -0.00011  -0.04755
   D457      -1.10676   0.00000   0.00014   0.00004   0.00018  -1.10658
   D458       0.97790   0.00000   0.00007   0.00002   0.00009   0.97799
   D459       3.07101   0.00000   0.00011   0.00004   0.00014   3.07115
   D460      -3.08558   0.00000  -0.00131  -0.00055  -0.00186  -3.08745
   D461      -0.02640   0.00000  -0.00099  -0.00036  -0.00135  -0.02775
   D462       0.06931   0.00000  -0.00120  -0.00065  -0.00185   0.06745
   D463       3.12849   0.00000  -0.00088  -0.00046  -0.00134   3.12715
   D464       1.93190   0.00001   0.00196   0.00103   0.00298   1.93488
   D465      -2.26776   0.00001   0.00167   0.00095   0.00262  -2.26513
   D466      -0.17536   0.00001   0.00185   0.00096   0.00281  -0.17255
   D467      -1.13059   0.00001   0.00162   0.00085   0.00247  -1.12813
   D468       0.95294   0.00001   0.00134   0.00077   0.00211   0.95505
   D469       3.04533   0.00001   0.00151   0.00078   0.00229   3.04763
   D470      -1.63932   0.00000  -0.00206  -0.00116  -0.00322  -1.64254
   D471       0.46514   0.00000  -0.00207  -0.00117  -0.00324   0.46190
   D472       2.55616   0.00000  -0.00185  -0.00104  -0.00289   2.55327
   D473       1.42351   0.00000  -0.00173  -0.00098  -0.00271   1.42080
   D474      -2.75521   0.00000  -0.00174  -0.00099  -0.00273  -2.75795
   D475      -0.66419   0.00000  -0.00152  -0.00086  -0.00238  -0.66657
   D476       0.00382  -0.00001   0.00005   0.00000   0.00005   0.00387
   D477      -3.09679  -0.00002  -0.00064  -0.00110  -0.00175  -3.09854
   D478       3.12040   0.00000   0.00022  -0.00001   0.00021   3.12061
   D479       0.01979  -0.00001  -0.00046  -0.00111  -0.00158   0.01820
   D480      -0.32803  -0.00001  -0.00791  -0.00538  -0.01327  -0.34130
   D481       1.77856   0.00000  -0.00778  -0.00526  -0.01304   1.76552
   D482      -2.41845   0.00000  -0.00754  -0.00507  -0.01261  -2.43106
   D483       2.77449  -0.00001  -0.00726  -0.00433  -0.01156   2.76293
   D484      -1.40211   0.00001  -0.00712  -0.00421  -0.01134  -1.41345
   D485       0.68407   0.00001  -0.00689  -0.00402  -0.01090   0.67316
   D486       0.01229  -0.00001   0.00021   0.00009   0.00031   0.01260
   D487       2.10379   0.00001   0.00002   0.00016   0.00019   2.10399
   D488      -2.09366   0.00000   0.00013   0.00017   0.00030  -2.09336
   D489      -3.09030  -0.00001  -0.00043  -0.00094  -0.00137  -3.09167
   D490      -0.99880   0.00001  -0.00062  -0.00087  -0.00149  -1.00029
   D491       1.08693   0.00000  -0.00051  -0.00087  -0.00138   1.08555
         Item               Value     Threshold  Converged?
 Maximum Force            0.000047     0.000450     YES
 RMS     Force            0.000007     0.000300     YES
 Maximum Displacement     0.027053     0.001800     NO 
 RMS     Displacement     0.002832     0.001200     NO 
 Predicted change in Energy=-7.393788D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:07:43 2016, MaxMem=  2952790016 cpu:         8.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.834877   -0.610895    1.685446
      2          6           0       -2.109299    1.096607   -1.340420
      3          8           0       -2.659159    0.109169   -1.859182
      4          7           0       -0.812948    1.153766   -0.930653
      5          1           0       -2.660557    2.036572   -1.137525
      6          6           0       -0.275435    2.327937   -0.242912
      7          1           0       -1.038150    3.118352   -0.209891
      8          1           0        0.015333    2.056321    0.784834
      9          1           0        0.613827    2.700738   -0.776948
     10          6           0        0.102366    0.023004   -1.102234
     11          1           0        0.674726   -0.122709   -0.172665
     12          1           0       -0.475633   -0.883979   -1.322586
     13          1           0        0.808510    0.220974   -1.925472
     14          6           0       -1.982562   -4.030058    2.612836
     15          8           0       -2.110001   -3.885788    3.840767
     16          7           0       -2.922717   -3.721792    1.678544
     17          1           0       -1.048028   -4.417251    2.160381
     18          6           0       -4.227696   -3.170036    2.051292
     19          1           0       -4.497638   -2.378000    1.334808
     20          1           0       -5.003888   -3.952918    2.022350
     21          1           0       -4.170432   -2.747759    3.062898
     22          6           0       -2.670165   -3.896988    0.247998
     23          1           0       -3.374627   -4.630567   -0.177308
     24          1           0       -2.808824   -2.935102   -0.272721
     25          1           0       -1.639673   -4.246792    0.095067
     26          6           0        1.534323    0.379741    2.625849
     27          8           0        1.351490    1.393602    3.320992
     28          7           0        1.169209   -0.886478    2.965469
     29          1           0        2.016196    0.428466    1.629477
     30          6           0        1.485590   -2.031504    2.111142
     31          1           0        2.241638   -2.673220    2.594028
     32          1           0        0.577118   -2.631801    1.942310
     33          1           0        1.868085   -1.674965    1.144980
     34          6           0        0.530875   -1.173482    4.252755
     35          1           0        1.282129   -1.474541    5.002749
     36          1           0        0.004286   -0.276738    4.603501
     37          1           0       -0.186470   -1.996389    4.120221
     38          6           0       -4.599461    1.235598    2.891327
     39          8           0       -4.845446    1.882716    1.859398
     40          7           0       -3.503190    1.393258    3.682602
     41          1           0       -5.267822    0.427855    3.252892
     42          6           0       -2.470535    2.387334    3.378308
     43          1           0       -2.543052    2.674899    2.321264
     44          1           0       -2.593883    3.280346    4.013505
     45          1           0       -1.480316    1.947570    3.573113
     46          6           0       -3.274331    0.544752    4.852538
     47          1           0       -4.088795   -0.187228    4.942647
     48          1           0       -2.317083    0.008627    4.741354
     49          1           0       -3.228241    1.158904    5.766772
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485216   0.000000
     3  O    3.709759   1.243581   0.000000
     4  N    3.316977   1.360773   2.315566   0.000000
     5  H    3.957271   1.108417   2.058076   2.058107   0.000000
     6  C    3.845407   2.466527   3.635574   1.463074   2.563988
     7  H    4.258445   2.552040   3.795130   2.104712   2.159388
     8  H    3.368741   3.154650   4.234988   2.107973   3.294881
     9  H    4.798588   3.210320   4.312760   2.110079   3.360465
    10  C    3.453389   2.469983   2.864684   1.464876   3.418983
    11  H    3.160539   3.255946   3.743381   2.101692   4.088712
    12  H    3.312155   2.567470   2.458061   2.102331   3.652090
    13  H    4.551728   3.102036   3.470104   2.118700   3.993956
    14  C    3.545778   6.475105   6.131062   6.387201   7.164419
    15  O    3.930144   7.188112   6.982168   7.060163   7.756343
    16  N    3.295623   5.743932   5.221228   5.918623   6.415429
    17  H    3.915743   6.616988   6.264272   6.375420   7.424842
    18  C    3.522589   5.847697   5.339035   6.264804   6.303432
    19  H    3.214950   4.993386   4.446075   5.584141   5.382913
    20  H    4.617928   6.721947   6.088069   7.236188   7.165892
    21  H    3.452301   6.198115   5.888365   6.514832   6.543172
    22  C    3.682712   5.270069   4.526546   5.508955   6.093185
    23  H    4.690251   5.979499   5.079930   6.370890   6.773674
    24  H    3.191383   4.228946   3.436108   4.597307   5.048506
    25  H    3.973306   5.552755   4.881888   5.558921   6.483993
    26  C    3.635550   5.433339   6.146055   4.330993   5.874103
    27  O    4.104382   5.813264   6.676022   4.776902   6.032272
    28  N    3.277032   5.763846   6.238988   4.824034   6.328182
    29  H    3.989256   5.127028   5.842228   3.883861   5.666950
    30  C    3.636598   5.884011   6.125756   4.968072   6.655345
    31  H    4.657969   6.972957   7.182658   6.033216   7.754879
    32  H    3.157176   5.647493   5.695414   4.951436   6.462324
    33  H    3.890537   5.447790   5.718746   4.415644   6.284421
    34  C    3.536151   6.588432   7.012651   5.838635   7.038807
    35  H    4.633154   7.638612   8.070191   6.819282   8.097880
    36  H    3.465433   6.456277   7.000652   5.774173   6.738855
    37  H    3.250380   6.563726   6.804471   5.985589   7.073173
    38  C    3.536469   4.912018   5.253661   5.380698   4.542308
    39  O    3.913040   4.282909   4.664028   4.957499   3.712003
    40  N    3.284590   5.221273   5.750882   5.345735   4.935333
    41  H    3.914205   5.614447   5.748041   6.154258   5.353649
    42  C    3.501317   4.905392   5.714623   4.778748   4.533420
    43  H    3.420850   4.010870   4.906381   3.985231   3.519160
    44  H    4.597575   5.802418   6.674509   5.669106   5.299484
    45  H    3.199178   5.026188   5.854845   4.621624   4.857057
    46  C    3.665791   6.325708   6.753914   6.314634   6.203475
    47  H    3.983592   6.711451   6.956765   6.857484   6.629755
    48  H    3.155140   6.181816   6.610158   5.978748   6.228303
    49  H    4.661639   7.195005   7.718871   7.119633   6.982971
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098900   0.000000
     8  H    1.102081   1.796445   0.000000
     9  H    1.102253   1.795824   1.792381   0.000000
    10  C    2.488751   3.417343   2.775424   2.745480   0.000000
    11  H    2.629336   3.666035   2.469773   2.888031   1.101330
    12  H    3.394433   4.192036   3.650702   3.786138   1.097841
    13  H    2.906069   3.840334   3.367994   2.739751   1.102521
    14  C    7.175909   7.743350   6.661620   7.970915   5.880135
    15  O    7.658488   8.161781   7.011735   8.492636   6.678809
    16  N    6.877450   7.342026   6.543504   7.732107   5.559438
    17  H    7.202102   7.899595   6.702985   7.877527   5.628848
    18  C    7.149227   7.404727   6.849965   8.118207   6.236159
    19  H    6.516290   6.675630   6.350794   7.508673   5.732716
    20  H    8.181614   8.409092   7.926851   9.146908   7.186433
    21  H    7.201532   7.411720   6.766785   8.204856   6.578925
    22  C    6.687706   7.217210   6.553013   7.440773   4.987624
    23  H    7.617747   8.093574   7.558573   8.367519   5.882236
    24  H    5.841106   6.307419   5.831688   6.612978   4.232435
    25  H    6.723276   7.395957   6.553172   7.355736   4.764388
    26  C    3.911583   4.707338   2.916777   4.220588   4.009534
    27  O    4.027565   4.599161   2.942212   4.364156   4.796225
    28  N    4.765833   5.567226   3.840139   5.213660   4.302502
    29  H    3.516447   4.466295   2.714182   3.594543   3.359969
    30  C    5.258089   6.186879   4.542143   5.612054   4.057105
    31  H    6.276580   7.222277   5.531562   6.549250   5.050591
    32  H    5.486441   6.348647   4.861465   5.985957   4.067263
    33  H    4.748068   5.766955   4.181494   4.941027   3.324280
    34  C    5.755093   6.387244   4.766958   6.349360   5.503736
    35  H    6.663468   7.324615   5.644694   7.161319   6.395726
    36  H    5.509110   5.981810   4.474986   6.179493   5.714445
    37  H    6.143667   6.755428   5.252618   6.832697   5.606729
    38  C    5.451042   5.083823   5.138796   6.540738   6.286979
    39  O    5.050043   4.506025   4.981165   6.117446   6.058931
    40  N    5.167368   4.919743   4.606161   6.208617   6.145917
    41  H    6.383955   6.092599   6.054332   7.483274   6.926034
    42  C    4.235000   3.932085   3.607661   5.184367   5.682001
    43  H    3.440562   2.977940   3.047719   4.423287   5.074556
    44  H    4.939571   4.503734   4.327881   5.794289   6.637079
    45  H    4.019759   3.984640   3.165958   4.886279   5.297896
    46  C    6.175495   6.103451   5.445452   7.173365   6.865393
    47  H    6.910701   6.839733   6.258178   7.947878   7.358710
    48  H    5.864335   5.985055   5.028645   6.803628   6.324671
    49  H    6.797206   6.660063   6.012141   7.743320   7.717931
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795877   0.000000
    13  H    1.791187   1.798170   0.000000
    14  C    5.485214   5.258916   6.815981   0.000000
    15  O    6.166288   6.192110   7.657200   1.242927   0.000000
    16  N    5.414977   4.800852   6.515857   1.360817   2.315731
    17  H    5.182092   4.994267   6.453996   1.108146   2.057653
    18  C    6.185947   5.539593   7.257891   2.468927   2.863416
    19  H    5.840562   5.046817   6.748281   3.269290   3.775455
    20  H    7.192722   6.411870   8.172554   3.079454   3.418439
    21  H    6.390251   6.029733   7.647684   2.575582   2.479025
    22  C    5.060675   4.044865   5.812294   2.466366   3.636192
    23  H    6.059544   4.873680   6.640193   3.175431   4.277722
    24  H    4.478245   3.279192   5.077155   3.195008   4.279362
    25  H    4.736685   3.830567   5.480613   2.550236   3.792334
    26  C    2.970360   4.607281   4.611565   5.640477   5.740372
    27  O    3.868184   5.485304   5.403264   6.405738   6.334355
    28  N    3.267375   4.592703   5.027709   4.465434   4.529374
    29  H    2.313234   4.079999   3.760215   6.069225   6.366168
    30  C    3.084926   4.117486   4.671868   4.034103   4.399801
    31  H    4.076139   5.091641   5.554827   4.436803   4.686304
    32  H    3.283015   3.850027   4.811612   2.992773   3.520970
    33  H    2.360041   3.493931   3.760979   4.746424   5.289629
    34  C    4.550732   5.672856   6.339723   4.143275   3.807961
    35  H    5.383428   6.591536   7.148380   4.785453   4.320979
    36  H    4.825451   5.976417   6.597119   4.690173   4.251731
    37  H    4.762479   5.562842   6.515910   3.103863   2.710701
    38  C    6.249008   6.265431   7.312809   5.886667   5.772992
    39  O    6.214766   6.072470   7.003845   6.612463   6.684618
    40  N    5.883556   6.277246   7.170460   5.733156   5.462081
    41  H    6.881238   6.754330   7.986242   5.574549   5.378192
    42  C    5.366786   6.064612   6.601161   6.481279   6.300469
    43  H    4.939675   5.497042   5.940495   6.734657   6.748261
    44  H    6.307821   7.092421   7.497164   7.468439   7.184529
    45  H    4.791776   5.744120   6.201152   6.075066   5.873348
    46  C    6.425980   6.928646   7.919333   5.254885   4.691378
    47  H    6.990115   7.265916   8.445193   4.963021   4.336947
    48  H    5.754629   6.399925   7.366206   4.577496   4.002550
    49  H    7.221676   7.874593   8.737602   6.198739   5.514425
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056767   0.000000
    18  C    1.465041   3.417270   0.000000
    19  H    2.098643   4.091445   1.101607   0.000000
    20  H    2.122002   3.985409   1.102821   1.791471   0.000000
    21  H    2.102848   3.653922   1.097699   1.797242   1.797164
    22  C    1.463194   2.561095   2.491230   2.613070   2.932186
    23  H    2.115250   3.305051   2.797774   2.936274   2.819964
    24  H    2.106961   3.349202   2.733026   2.397207   3.334907
    25  H    2.104572   2.155138   3.418199   3.632809   3.888280
    26  C    6.130675   5.467754   6.792047   6.756958   7.866660
    27  O    6.865402   6.393022   7.318897   7.237556   8.406104
    28  N    5.141891   4.246254   5.931015   6.082503   6.956986
    29  H    6.451350   5.757804   7.218957   7.098811   8.284471
    30  C    4.741032   3.480436   5.825931   6.043324   6.768533
    31  H    5.348662   3.748546   6.511042   6.862261   7.379843
    32  H    3.675119   2.424147   4.836095   5.117286   5.735798
    33  H    5.236982   4.129756   6.341545   6.407240   7.292658
    34  C    5.004773   4.170492   5.610407   5.937274   6.582824
    35  H    5.812161   4.708315   6.476417   6.904761   7.385062
    36  H    5.384341   4.921387   5.726659   5.947014   6.727440
    37  H    4.052883   3.231692   4.689289   5.146875   5.606834
    38  C    5.371967   6.715777   4.500387   3.935888   5.276303
    39  O    5.927909   7.362103   5.093991   4.306956   5.840058
    40  N    5.524214   6.488991   4.899974   4.552302   5.795699
    41  H    5.019727   6.517307   3.933259   3.484976   4.557967
    42  C    6.357286   7.057567   5.977705   5.567176   6.960983
    43  H    6.440100   7.249798   6.088857   5.506840   7.076229
    44  H    7.388512   8.067015   6.937366   6.543438   7.879906
    45  H    6.149112   6.534037   6.004493   5.729293   7.045295
    46  C    5.329284   6.068410   4.749267   4.734277   5.588413
    47  H    4.950480   5.905960   4.156486   4.240653   4.852416
    48  H    4.864527   5.278288   4.581569   4.696314   5.505065
    49  H    6.374022   6.989485   5.791669   5.810626   6.580604
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390455   0.000000
    23  H    3.831085   1.102403   0.000000
    24  H    3.607690   1.102542   1.789928   0.000000
    25  H    4.178500   1.098938   1.797648   1.795192   0.000000
    26  C    6.520467   6.451535   7.553719   6.184886   6.154992
    27  O    6.907178   7.321704   8.418130   6.997189   7.153160
    28  N    5.655583   5.584676   6.673957   5.523357   5.236482
    29  H    7.100526   6.525336   7.610471   6.181647   6.130076
    30  C    5.780090   4.921548   5.967734   4.994124   4.328895
    31  H    6.429621   5.579182   6.561551   5.813260   4.877039
    32  H    4.879384   3.875079   4.909597   4.057457   3.306761
    33  H    6.425961   5.132024   6.161985   5.046909   4.474481
    34  C    5.098665   5.805361   6.843234   5.893795   5.607396
    35  H    5.925751   6.640522   7.647148   6.833719   6.348831
    36  H    5.089958   6.263330   7.295822   6.225594   6.228155
    37  H    4.189802   4.977462   5.964227   5.201525   4.835078
    38  C    4.010066   6.087101   6.732654   5.532840   6.829057
    39  O    4.831703   6.382275   6.980998   5.648462   7.138677
    40  N    4.239961   6.362164   7.155551   5.904356   6.939256
    41  H    3.365247   5.872092   6.398289   5.457664   6.707283
    42  C    5.418331   7.023631   7.919010   6.463186   7.448599
    43  H    5.709956   6.892335   7.765579   6.186396   7.326790
    44  H    6.302952   8.105490   8.986380   7.553126   8.539466
    45  H    5.435362   6.828688   7.805509   6.355773   7.105795
    46  C    3.853107   6.426185   7.217572   6.212435   6.947267
    47  H    3.177489   6.149354   6.816688   6.032346   6.780655
    48  H    3.721529   5.963953   6.843520   5.835091   6.336833
    49  H    4.843622   7.505355   8.298886   7.308370   7.994582
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242806   0.000000
    28  N    1.360868   2.314819   0.000000
    29  H    1.107850   2.057801   2.057022   0.000000
    30  C    2.466050   3.634979   1.463235   2.562225   0.000000
    31  H    3.133988   4.226095   2.116724   3.256016   1.102990
    32  H    3.233087   4.324845   2.107980   3.396181   1.101899
    33  H    2.554640   3.797105   2.103407   2.163584   1.098586
    34  C    2.462973   2.851581   1.465247   3.413797   2.496836
    35  H    3.025165   3.325562   2.123459   3.941987   2.951778
    36  H    2.585167   2.499965   2.100470   3.659223   3.388999
    37  H    3.292457   3.807378   2.098385   4.115272   2.614080
    38  C    6.198894   5.968534   6.147053   6.783115   6.950575
    39  O    6.599078   6.385727   6.713263   7.017823   7.447584
    40  N    5.245997   4.868130   5.248122   5.967393   6.251912
    41  H    6.831154   6.689738   6.576127   7.462734   7.277404
    42  C    4.542632   3.949514   4.912841   5.198685   6.064879
    43  H    4.688871   4.220028   5.184524   5.129500   6.198736
    44  H    5.232703   4.427792   5.711537   5.921962   6.962530
    45  H    3.527527   2.896476   3.926963   4.279135   5.173682
    46  C    5.301747   4.946150   5.035324   6.196073   6.067057
    47  H    6.108066   5.892834   5.660811   6.973313   6.518630
    48  H    4.409809   4.170613   4.013628   5.351388   5.053758
    49  H    5.757996   5.197198   5.600754   6.719738   6.764801
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788038   0.000000
    33  H    1.798832   1.793841   0.000000
    34  C    2.815546   2.732579   3.420217   0.000000
    35  H    2.856471   3.347025   3.907160   1.103409   0.000000
    36  H    3.845367   3.599499   4.170150   1.097482   1.796389
    37  H    2.946705   2.393765   3.629954   1.099693   1.791079
    38  C    7.884661   6.531032   7.304126   5.829022   6.811465
    39  O    8.457127   7.056340   7.631447   6.631239   7.661528
    40  N    7.122099   5.989877   6.686114   4.815279   5.732917
    41  H    8.151242   6.726250   7.732161   6.098269   7.041517
    42  C    6.959085   6.044997   6.349303   4.738409   5.624533
    43  H    7.181228   6.167668   6.305798   5.290531   6.248218
    44  H    7.800135   7.021294   7.258973   5.445909   6.213776
    45  H    6.013589   5.278559   5.498216   3.774621   4.624479
    46  C    6.773634   5.778717   6.716961   4.218015   4.986124
    47  H    7.195175   6.062070   7.219422   4.773886   5.523369
    48  H    5.708349   4.814863   5.769231   3.122014   3.901595
    49  H    7.393988   6.593687   7.440720   4.675812   5.278466
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796426   0.000000
    38  C    5.139376   5.606283   0.000000
    39  O    5.976056   6.470304   1.242638   0.000000
    40  N    3.992409   4.762547   1.361170   2.316310   0.000000
    41  H    5.487779   5.696434   1.109000   2.058360   2.056837
    42  C    3.837071   4.998441   2.469003   2.863901   1.465318
    43  H    4.517709   5.532690   2.573981   2.478284   2.101835
    44  H    4.444257   5.800944   3.076138   3.415126   2.120716
    45  H    2.865884   4.186667   3.271208   3.776920   2.100302
    46  C    3.389129   4.065534   2.465682   3.635579   1.463247
    47  H    4.108083   4.379222   2.548161   3.789936   2.104420
    48  H    2.342903   2.990888   3.183913   4.267376   2.108319
    49  H    3.723372   4.681814   3.186583   4.290318   2.115250
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417616   0.000000
    43  H    3.652602   1.097859   0.000000
    44  H    3.983112   1.102796   1.798007   0.000000
    45  H    4.093565   1.100851   1.795979   1.791721   0.000000
    46  C    2.558620   2.492900   3.388162   2.941167   2.612148
    47  H    2.150280   3.419692   4.177648   3.888719   3.638290
    48  H    3.331385   2.745849   3.607894   3.363112   2.413393
    49  H    3.318722   2.790684   3.826127   2.824335   2.913654
                   46         47         48         49
    46  C    0.000000
    47  H    1.098757   0.000000
    48  H    1.102776   1.793834   0.000000
    49  H    1.102330   1.797723   1.790204   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2142410      0.1936462      0.1842427
 Leave Link  202 at Mon Nov 14 02:07:43 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1338793939 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839952627 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9498841312 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4029
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.63D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     208
 GePol: Fraction of low-weight points (<1% of avg)   =       5.16%
 GePol: Cavity surface area                          =    467.010 Ang**2
 GePol: Cavity volume                                =    457.846 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040101383 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9458739929 Hartrees.
 Leave Link  301 at Mon Nov 14 02:07:43 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37500.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:07:44 2016, MaxMem=  2952790016 cpu:        14.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:07:45 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000250    0.002387   -0.000389
         Rot=    1.000000   -0.000088   -0.000009   -0.000139 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50887391108    
 Leave Link  401 at Mon Nov 14 02:07:51 2016, MaxMem=  2952790016 cpu:        78.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48698523.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for    529.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.46D-15 for   1354     26.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.02D-14 for   2840.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.59D-11 for   2535   2440.
 E= -1013.45121579312    
 DIIS: error= 2.12D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45121579312     IErMin= 1 ErrMin= 2.12D-04
 ErrMax= 2.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.28D-05 BMatP= 4.28D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.12D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.53D-05 MaxDP=1.31D-03              OVMax= 1.90D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.53D-05    CP:  1.00D+00
 E= -1013.45128656736     Delta-E=       -0.000070774242 Rises=F Damp=F
 DIIS: error= 4.10D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128656736     IErMin= 2 ErrMin= 4.10D-05
 ErrMax= 4.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-06 BMatP= 4.28D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.291D-01 0.971D+00
 Coeff:      0.291D-01 0.971D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.78D-06 MaxDP=5.60D-04 DE=-7.08D-05 OVMax= 9.00D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.63D-06    CP:  1.00D+00  9.60D-01
 E= -1013.45128249106     Delta-E=        0.000004076295 Rises=F Damp=F
 DIIS: error= 1.26D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128656736     IErMin= 2 ErrMin= 4.10D-05
 ErrMax= 1.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.96D-06 BMatP= 1.01D-06
 IDIUse=3 WtCom= 4.71D-01 WtEn= 5.29D-01
 Coeff-Com:  0.263D-02 0.717D+00 0.280D+00
 Coeff-En:   0.000D+00 0.798D+00 0.202D+00
 Coeff:      0.124D-02 0.760D+00 0.239D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.47D-06 MaxDP=3.91D-04 DE= 4.08D-06 OVMax= 6.48D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.97D-06    CP:  1.00D+00  9.78D-01  4.16D-01
 E= -1013.45128737767     Delta-E=       -0.000004886609 Rises=F Damp=F
 DIIS: error= 6.58D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128737767     IErMin= 4 ErrMin= 6.58D-06
 ErrMax= 6.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.18D-08 BMatP= 1.01D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.587D-04 0.277D+00 0.528D-01 0.670D+00
 Coeff:     -0.587D-04 0.277D+00 0.528D-01 0.670D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.10D-06 MaxDP=5.93D-05 DE=-4.89D-06 OVMax= 4.69D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.99D-07    CP:  1.00D+00  9.82D-01  3.33D-01  7.19D-01
 E= -1013.45128742619     Delta-E=       -0.000000048522 Rises=F Damp=F
 DIIS: error= 6.27D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128742619     IErMin= 5 ErrMin= 6.27D-06
 ErrMax= 6.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-08 BMatP= 7.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.201D-04 0.148D+00 0.205D-01 0.449D+00 0.382D+00
 Coeff:     -0.201D-04 0.148D+00 0.205D-01 0.449D+00 0.382D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.95D-07 MaxDP=1.89D-05 DE=-4.85D-08 OVMax= 2.07D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.96D-07    CP:  1.00D+00  9.83D-01  3.30D-01  7.39D-01  6.41D-01
 E= -1013.45128743996     Delta-E=       -0.000000013766 Rises=F Damp=F
 DIIS: error= 4.04D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128743996     IErMin= 6 ErrMin= 4.04D-07
 ErrMax= 4.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-10 BMatP= 1.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-04 0.459D-01 0.562D-02 0.148D+00 0.154D+00 0.646D+00
 Coeff:     -0.167D-04 0.459D-01 0.562D-02 0.148D+00 0.154D+00 0.646D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.53D-08 MaxDP=1.82D-06 DE=-1.38D-08 OVMax= 2.59D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.01D-08    CP:  1.00D+00  9.83D-01  3.31D-01  7.44D-01  6.37D-01
                    CP:  9.16D-01
 E= -1013.45128744006     Delta-E=       -0.000000000099 Rises=F Damp=F
 DIIS: error= 1.80D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45128744006     IErMin= 7 ErrMin= 1.80D-07
 ErrMax= 1.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-11 BMatP= 1.43D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-04 0.108D-01 0.114D-02 0.378D-01 0.470D-01 0.358D+00
 Coeff-Com:  0.545D+00
 Coeff:     -0.114D-04 0.108D-01 0.114D-02 0.378D-01 0.470D-01 0.358D+00
 Coeff:      0.545D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.60D-08 MaxDP=8.06D-07 DE=-9.91D-11 OVMax= 9.72D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.13D-08    CP:  1.00D+00  9.83D-01  3.31D-01  7.45D-01  6.39D-01
                    CP:  9.18D-01  7.24D-01
 E= -1013.45128743998     Delta-E=        0.000000000080 Rises=F Damp=F
 DIIS: error= 4.48D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45128744006     IErMin= 8 ErrMin= 4.48D-08
 ErrMax= 4.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-12 BMatP= 3.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.504D-05 0.306D-02 0.331D-03 0.114D-01 0.158D-01 0.149D+00
 Coeff-Com:  0.283D+00 0.537D+00
 Coeff:     -0.504D-05 0.306D-02 0.331D-03 0.114D-01 0.158D-01 0.149D+00
 Coeff:      0.283D+00 0.537D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.33D-09 MaxDP=5.09D-07 DE= 8.00D-11 OVMax= 7.72D-07

 Error on total polarization charges =  0.04309
 SCF Done:  E(RB97D) =  -1013.45128744     A.U. after    8 cycles
            NFock=  8  Conv=0.63D-08     -V/T= 2.0213
 KE= 9.923491795133D+02 PE=-6.027410118891D+03 EE= 2.173663777945D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:09:29 2016, MaxMem=  2952790016 cpu:      1108.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11979 LenP2D=   37500.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 02:09:37 2016, MaxMem=  2952790016 cpu:        97.2
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:09:37 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:10:14 2016, MaxMem=  2952790016 cpu:       441.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.22351897D+00-2.69091621D+00 3.27137517D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000031687    0.000001291   -0.000139209
      2        6          -0.000004934   -0.000072730   -0.000034126
      3        8           0.000048806    0.000069771   -0.000095776
      4        7          -0.000055568   -0.000034892    0.000019136
      5        1           0.000020188   -0.000001823    0.000077852
      6        6          -0.000002105    0.000159249    0.000175601
      7        1           0.000035051    0.000022704   -0.000001552
      8        1           0.000037768    0.000008823    0.000052715
      9        1           0.000029900   -0.000058110    0.000000219
     10        6           0.000051805    0.000029973    0.000032796
     11        1           0.000034025    0.000037849    0.000040209
     12        1           0.000037091    0.000013207   -0.000007075
     13        1           0.000028581    0.000023489    0.000017239
     14        6          -0.000005369   -0.000011169   -0.000023883
     15        8          -0.000013631   -0.000009526   -0.000025726
     16        7          -0.000018043   -0.000026666   -0.000031010
     17        1           0.000004285    0.000018367   -0.000031180
     18        6          -0.000030524   -0.000000682   -0.000030276
     19        1           0.000008510   -0.000000994   -0.000036681
     20        1           0.000002473   -0.000001021   -0.000049641
     21        1           0.000008856   -0.000000546   -0.000040415
     22        6           0.000007359    0.000013963   -0.000019430
     23        1           0.000020931    0.000013178   -0.000045584
     24        1           0.000019383    0.000013815   -0.000027574
     25        1           0.000013251    0.000008505   -0.000027813
     26        6          -0.000018352    0.000017905    0.000032931
     27        8           0.000008533   -0.000026667    0.000033552
     28        7          -0.000021035   -0.000047738    0.000030352
     29        1          -0.000006226    0.000000488    0.000030071
     30        6           0.000002733    0.000041159    0.000045232
     31        1          -0.000008406   -0.000022284   -0.000006945
     32        1           0.000006263    0.000004607   -0.000028951
     33        1           0.000005773    0.000005346    0.000015157
     34        6          -0.000016196    0.000022261    0.000012639
     35        1          -0.000023178   -0.000020562    0.000016832
     36        1          -0.000019057   -0.000016968    0.000009485
     37        1          -0.000015235   -0.000016566    0.000003829
     38        6           0.000020651   -0.000007235   -0.000051952
     39        8          -0.000013105   -0.000021842    0.000032866
     40        7          -0.000088359   -0.000112993    0.000056313
     41        1          -0.000002301   -0.000026358   -0.000016099
     42        6          -0.000181507   -0.000073577    0.000155230
     43        1          -0.000010085    0.000001826    0.000012477
     44        1           0.000171096    0.000063746   -0.000086273
     45        1          -0.000052061    0.000037939    0.000008001
     46        6           0.000015575   -0.000022812   -0.000096277
     47        1          -0.000024553   -0.000006324    0.000014392
     48        1          -0.000007862    0.000038299    0.000022433
     49        1          -0.000032883   -0.000027674    0.000005888
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000181507 RMS     0.000046693
 Leave Link  716 at Mon Nov 14 02:10:14 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000082792 RMS     0.000009446
 Search for a local minimum.
 Step number  43 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .94460D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   34   35   36   37   38
                                                     39   40   41   42   43
 DE= -1.17D-06 DEPred=-7.39D-07 R= 1.58D+00
 TightC=F SS=  1.41D+00  RLast= 9.56D-02 DXNew= 2.2445D+00 2.8666D-01
 Trust test= 1.58D+00 RLast= 9.56D-02 DXMaxT set to 1.33D+00
 ITU=  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  0
     Eigenvalues ---    0.00004   0.00039   0.00099   0.00113   0.00172
     Eigenvalues ---    0.00242   0.00347   0.00367   0.00434   0.00454
     Eigenvalues ---    0.00605   0.00649   0.00715   0.00759   0.00809
     Eigenvalues ---    0.00844   0.00963   0.01015   0.01060   0.01087
     Eigenvalues ---    0.01183   0.01229   0.01282   0.01336   0.01410
     Eigenvalues ---    0.01449   0.01553   0.01633   0.01665   0.01721
     Eigenvalues ---    0.01760   0.01814   0.01866   0.01897   0.01955
     Eigenvalues ---    0.02076   0.02140   0.02210   0.02284   0.02421
     Eigenvalues ---    0.02463   0.02686   0.02777   0.03088   0.03176
     Eigenvalues ---    0.03802   0.03917   0.04380   0.04590   0.04752
     Eigenvalues ---    0.04862   0.05563   0.05930   0.06093   0.06248
     Eigenvalues ---    0.06465   0.06562   0.06983   0.07011   0.07102
     Eigenvalues ---    0.07401   0.07644   0.07978   0.08000   0.08140
     Eigenvalues ---    0.08181   0.08334   0.08382   0.08594   0.08663
     Eigenvalues ---    0.08820   0.08892   0.09015   0.09348   0.09596
     Eigenvalues ---    0.09784   0.09889   0.09901   0.10205   0.10430
     Eigenvalues ---    0.10453   0.10527   0.10611   0.10981   0.11231
     Eigenvalues ---    0.11363   0.11463   0.11949   0.13128   0.13265
     Eigenvalues ---    0.13505   0.13899   0.14561   0.15179   0.15305
     Eigenvalues ---    0.15596   0.17800   0.21894   0.23169   0.23663
     Eigenvalues ---    0.23794   0.24669   0.24854   0.25793   0.26770
     Eigenvalues ---    0.27291   0.27747   0.28627   0.29278   0.29727
     Eigenvalues ---    0.29849   0.32577   0.32730   0.32820   0.32827
     Eigenvalues ---    0.32926   0.33302   0.33348   0.33376   0.33387
     Eigenvalues ---    0.33416   0.33425   0.33476   0.33686   0.33716
     Eigenvalues ---    0.33793   0.33831   0.33902   0.33930   0.33949
     Eigenvalues ---    0.34004   0.34103   0.34595   0.37297   0.39419
     Eigenvalues ---    0.40551   0.41477   0.85974   0.86050   0.86077
     Eigenvalues ---    0.87310
 Eigenvalue     1 is   3.91D-05 Eigenvector:
                         D381      D383      D375      D373      D399
   1                   -0.18384  -0.17516  -0.17457  -0.17410  -0.17014
                         D397      D371      D369      D395      D389
   1                   -0.16568  -0.16388  -0.16280  -0.15818  -0.15715
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    43   42   41   40   39
 RFO step:  Lambda=-2.05474960D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.82D-06 SmlDif=  1.00D-05
 RMS Error=  0.4315101079D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.86366   -0.91657    0.33479   -0.33093    0.04905
 Iteration  1 RMS(Cart)=  0.00381480 RMS(Int)=  0.00028684
 Iteration  2 RMS(Cart)=  0.00028560 RMS(Int)=  0.00002143
 Iteration  3 RMS(Cart)=  0.00000097 RMS(Int)=  0.00002140
 ITry= 1 IFail=0 DXMaxC= 3.99D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58610   0.00003  -0.00169  -0.00066  -0.00235   6.58376
    R2        6.26818  -0.00001   0.00067  -0.00018   0.00049   6.26867
    R3        7.26677  -0.00003   0.00131   0.00077   0.00209   7.26885
    R4        6.36600  -0.00001   0.00182   0.00053   0.00235   6.36835
    R5        6.52596   0.00002  -0.00015  -0.00068  -0.00083   6.52513
    R6        5.97255   0.00000  -0.00045  -0.00010  -0.00054   5.97201
    R7        6.70055  -0.00001   0.00021  -0.00010   0.00011   6.70066
    R8        6.22782   0.00001   0.00009   0.00017   0.00026   6.22809
    R9        6.65673   0.00001   0.00000  -0.00007  -0.00006   6.65667
   R10        6.07538   0.00000  -0.00080  -0.00029  -0.00109   6.07429
   R11        6.95932   0.00001   0.00060   0.00036   0.00097   6.96028
   R12        6.03084   0.00000   0.00063   0.00040   0.00102   6.03186
   R13        6.87019   0.00000  -0.00104  -0.00055  -0.00159   6.86860
   R14        6.19269   0.00000   0.00090   0.00067   0.00156   6.19425
   R15        6.87217  -0.00001   0.00207   0.00116   0.00321   6.87539
   R16        5.96620   0.00000   0.00043  -0.00013   0.00031   5.96651
   R17        6.68236   0.00001   0.00063   0.00071   0.00134   6.68370
   R18        6.68296  -0.00002   0.00397   0.00213   0.00607   6.68903
   R19        6.20698   0.00000  -0.00130  -0.00090  -0.00225   6.20472
   R20        6.61653   0.00002  -0.00668  -0.00285  -0.00956   6.60697
   R21        6.04557   0.00003   0.00718   0.00511   0.01240   6.05798
   R22        6.92734  -0.00002   0.00157   0.00060   0.00213   6.92947
   R23        5.96235   0.00001  -0.00028   0.00012  -0.00016   5.96219
   R24        2.35003  -0.00001   0.00003   0.00000   0.00003   2.35006
   R25        2.57149   0.00000   0.00009   0.00006   0.00015   2.57163
   R26        2.09460  -0.00001   0.00000   0.00000   0.00000   2.09460
   R27        2.76481   0.00007  -0.00016   0.00004  -0.00012   2.76469
   R28        2.76821   0.00001   0.00001   0.00006   0.00007   2.76829
   R29        2.07662  -0.00001   0.00002   0.00000   0.00002   2.07664
   R30        2.08263  -0.00001   0.00007   0.00004   0.00011   2.08274
   R31        2.08296   0.00000   0.00000  -0.00001  -0.00001   2.08295
   R32        2.08121   0.00001   0.00000   0.00000   0.00000   2.08121
   R33        2.07462   0.00000  -0.00001   0.00000   0.00000   2.07462
   R34        2.08346   0.00000  -0.00002  -0.00001  -0.00002   2.08344
   R35        2.34879   0.00000   0.00000   0.00000   0.00001   2.34880
   R36        2.57157  -0.00001  -0.00004  -0.00002  -0.00005   2.57152
   R37        2.09409   0.00000   0.00001   0.00000   0.00001   2.09411
   R38        2.76853   0.00000  -0.00001   0.00001  -0.00001   2.76852
   R39        2.76504   0.00000  -0.00004  -0.00002  -0.00007   2.76497
   R40        2.08174   0.00000   0.00000   0.00000   0.00000   2.08174
   R41        2.08403   0.00000   0.00001   0.00000   0.00001   2.08404
   R42        2.07435   0.00000  -0.00002  -0.00001  -0.00003   2.07432
   R43        2.08324   0.00000   0.00000   0.00000   0.00000   2.08324
   R44        2.08350   0.00000  -0.00004  -0.00001  -0.00007   2.08344
   R45        2.07669   0.00000  -0.00001  -0.00001  -0.00002   2.07667
   R46        2.34856  -0.00002   0.00003   0.00001   0.00004   2.34860
   R47        2.57167   0.00001  -0.00003  -0.00002  -0.00004   2.57163
   R48        2.09353   0.00000  -0.00001  -0.00001  -0.00002   2.09351
   R49        2.76511  -0.00001  -0.00003  -0.00005  -0.00007   2.76505
   R50        2.76891  -0.00001  -0.00004  -0.00004  -0.00007   2.76884
   R51        2.08435   0.00000  -0.00001   0.00000  -0.00001   2.08434
   R52        2.08229   0.00000   0.00006   0.00002   0.00010   2.08239
   R53        2.07603   0.00000   0.00000   0.00001   0.00001   2.07604
   R54        2.08514   0.00000   0.00001   0.00001   0.00003   2.08517
   R55        2.07394   0.00000  -0.00004  -0.00004  -0.00009   2.07386
   R56        2.07812   0.00000   0.00001   0.00001   0.00001   2.07813
   R57        2.34824  -0.00004   0.00003  -0.00001   0.00002   2.34826
   R58        2.57224  -0.00001  -0.00007  -0.00006  -0.00010   2.57213
   R59        2.09571   0.00001   0.00000   0.00001   0.00001   2.09572
   R60        2.76905   0.00006   0.00016   0.00018   0.00038   2.76943
   R61        2.76514  -0.00004   0.00015   0.00004   0.00020   2.76533
   R62        2.07465   0.00000   0.00014   0.00008   0.00022   2.07487
   R63        2.08398  -0.00002  -0.00001  -0.00002  -0.00003   2.08395
   R64        2.08031  -0.00004  -0.00012  -0.00014  -0.00018   2.08012
   R65        2.07635  -0.00001  -0.00006  -0.00004  -0.00011   2.07624
   R66        2.08394  -0.00002   0.00008   0.00005   0.00012   2.08407
   R67        2.08310   0.00001  -0.00002   0.00001  -0.00001   2.08310
    A1        0.67953   0.00002  -0.00010  -0.00003  -0.00013   0.67940
    A2        0.95603   0.00002  -0.00012  -0.00009  -0.00021   0.95582
    A3        0.72786   0.00000   0.00011   0.00009   0.00019   0.72806
    A4        1.01975   0.00000   0.00013   0.00011   0.00024   1.02000
    A5        2.34093  -0.00001   0.00066   0.00035   0.00102   2.34195
    A6        2.02045  -0.00001   0.00106   0.00058   0.00164   2.02210
    A7        1.97427  -0.00001   0.00147   0.00082   0.00229   1.97656
    A8        1.68040  -0.00001   0.00158   0.00087   0.00245   1.68285
    A9        1.65131  -0.00001   0.00087   0.00047   0.00134   1.65265
   A10        1.36950  -0.00001   0.00098   0.00054   0.00153   1.37103
   A11        1.73559   0.00000  -0.00061  -0.00038  -0.00100   1.73459
   A12        2.04037   0.00000  -0.00044  -0.00027  -0.00071   2.03966
   A13        1.94433   0.00000  -0.00009  -0.00005  -0.00014   1.94419
   A14        2.03129  -0.00001  -0.00035  -0.00028  -0.00062   2.03067
   A15        2.43558   0.00000  -0.00055  -0.00037  -0.00092   2.43466
   A16        1.54948   0.00001   0.00302   0.00207   0.00510   1.55458
   A17        1.76091   0.00001   0.00189   0.00131   0.00320   1.76411
   A18        1.55674   0.00001   0.00007   0.00009   0.00017   1.55691
   A19        1.70036   0.00000   0.00111   0.00045   0.00155   1.70190
   A20        2.17089   0.00001   0.00178   0.00125   0.00303   2.17392
   A21        2.39302   0.00000   0.00142   0.00083   0.00225   2.39527
   A22        0.64135   0.00001  -0.00015   0.00004  -0.00011   0.64124
   A23        0.65918   0.00000   0.00004   0.00005   0.00009   0.65927
   A24        2.39223   0.00000   0.00004  -0.00005  -0.00001   2.39223
   A25        2.21709   0.00000   0.00083   0.00041   0.00124   2.21833
   A26        2.31542   0.00000   0.00145   0.00079   0.00224   2.31766
   A27        2.05057   0.00000   0.00167   0.00088   0.00256   2.05312
   A28        1.80981   0.00000   0.00084   0.00041   0.00126   1.81107
   A29        1.56834   0.00000   0.00109   0.00057   0.00167   1.57001
   A30        1.34234   0.00000  -0.00064  -0.00038  -0.00103   1.34131
   A31        1.64123   0.00001  -0.00055  -0.00033  -0.00088   1.64035
   A32        1.58964   0.00000  -0.00036  -0.00021  -0.00058   1.58906
   A33        1.74095   0.00000  -0.00072  -0.00050  -0.00122   1.73973
   A34        2.03883   0.00000  -0.00059  -0.00038  -0.00098   2.03785
   A35        1.80493   0.00001   0.00398   0.00264   0.00663   1.81156
   A36        1.88749   0.00001   0.00287   0.00186   0.00474   1.89224
   A37        1.55249   0.00000   0.00138   0.00091   0.00231   1.55480
   A38        1.57656   0.00000   0.00220   0.00113   0.00332   1.57988
   A39        2.25837   0.00000   0.00202   0.00128   0.00329   2.26166
   A40        2.35536   0.00000   0.00137   0.00055   0.00191   2.35728
   A41        0.68791   0.00000  -0.00005   0.00000  -0.00006   0.68785
   A42        0.74531   0.00000   0.00008   0.00001   0.00009   0.74540
   A43        2.65730   0.00000  -0.00048  -0.00041  -0.00089   2.65641
   A44        2.59484   0.00001   0.00065   0.00028   0.00093   2.59577
   A45        2.65252   0.00001   0.00138   0.00081   0.00218   2.65471
   A46        2.34796   0.00001   0.00145   0.00084   0.00230   2.35025
   A47        2.18730   0.00001   0.00073   0.00033   0.00106   2.18836
   A48        1.95266   0.00001   0.00097   0.00051   0.00149   1.95415
   A49        1.09915  -0.00001  -0.00070  -0.00047  -0.00117   1.09798
   A50        1.45895   0.00000  -0.00063  -0.00043  -0.00106   1.45789
   A51        1.55776  -0.00001  -0.00056  -0.00040  -0.00095   1.55681
   A52        1.79279  -0.00001  -0.00091  -0.00066  -0.00157   1.79122
   A53        1.78683  -0.00001  -0.00060  -0.00044  -0.00104   1.78579
   A54        1.65989   0.00000   0.00447   0.00294   0.00742   1.66731
   A55        1.61539   0.00000   0.00328   0.00210   0.00539   1.62077
   A56        1.22563  -0.00001   0.00201   0.00132   0.00335   1.22898
   A57        1.20227  -0.00001   0.00251   0.00133   0.00383   1.20610
   A58        1.93004  -0.00001   0.00198   0.00122   0.00319   1.93323
   A59        1.97971  -0.00002   0.00140   0.00054   0.00193   1.98164
   A60        0.83761   0.00000  -0.00010   0.00032   0.00021   0.83782
   A61        0.77334   0.00000   0.00002   0.00041   0.00043   0.77377
   A62        2.59882   0.00000  -0.00087  -0.00021  -0.00108   2.59774
   A63        2.76010   0.00001   0.00019   0.00039   0.00058   2.76067
   A64        2.60789   0.00001   0.00134   0.00060   0.00194   2.60983
   A65        2.38431   0.00001   0.00064   0.00059   0.00123   2.38554
   A66        2.18976   0.00001   0.00097   0.00073   0.00171   2.19147
   A67        0.85585  -0.00001  -0.00076  -0.00025  -0.00101   0.85483
   A68        1.23187  -0.00001  -0.00069  -0.00018  -0.00088   1.23099
   A69        1.40920  -0.00001  -0.00069  -0.00008  -0.00077   1.40843
   A70        1.67997  -0.00001  -0.00100  -0.00028  -0.00127   1.67870
   A71        1.52340  -0.00001  -0.00061  -0.00029  -0.00090   1.52250
   A72        1.67812   0.00001   0.00448   0.00244   0.00693   1.68505
   A73        1.52920   0.00000   0.00342   0.00171   0.00514   1.53434
   A74        1.10513  -0.00001   0.00264   0.00128   0.00394   1.10907
   A75        1.00474  -0.00001   0.00293   0.00130   0.00423   1.00897
   A76        1.76913  -0.00001   0.00180   0.00069   0.00249   1.77162
   A77        1.75932  -0.00002   0.00127   0.00015   0.00141   1.76074
   A78        1.99489   0.00000  -0.00020  -0.00025  -0.00045   1.99445
   A79        1.93558   0.00000   0.00050   0.00014   0.00063   1.93621
   A80        2.21211   0.00000   0.00101   0.00045   0.00146   2.21357
   A81        2.06857   0.00000   0.00148   0.00069   0.00217   2.07074
   A82        1.54674   0.00000   0.00074   0.00028   0.00102   1.54775
   A83        1.37920   0.00000   0.00107   0.00050   0.00158   1.38079
   A84        1.20137   0.00000  -0.00028  -0.00015  -0.00044   1.20093
   A85        1.38625   0.00000  -0.00028  -0.00016  -0.00043   1.38582
   A86        1.21749  -0.00001  -0.00016  -0.00011  -0.00027   1.21721
   A87        1.32287  -0.00001  -0.00062  -0.00047  -0.00109   1.32178
   A88        1.81313   0.00000  -0.00032  -0.00021  -0.00054   1.81259
   A89        2.23692   0.00001   0.00387   0.00262   0.00648   2.24340
   A90        2.29662   0.00001   0.00313   0.00205   0.00518   2.30180
   A91        1.91235   0.00000   0.00206   0.00138   0.00345   1.91579
   A92        1.84142   0.00000   0.00289   0.00164   0.00452   1.84595
   A93        2.60572   0.00000   0.00176   0.00107   0.00282   2.60854
   A94        2.55266  -0.00001   0.00074   0.00004   0.00077   2.55343
   A95        1.91324   0.00000  -0.00061  -0.00045  -0.00106   1.91218
   A96        1.98961   0.00001   0.00006  -0.00006   0.00001   1.98962
   A97        2.36407   0.00001   0.00046   0.00019   0.00064   2.36471
   A98        2.31644   0.00000   0.00119   0.00057   0.00176   2.31820
   A99        1.65936   0.00001   0.00051   0.00021   0.00072   1.66008
   A100       1.56488   0.00001   0.00091   0.00048   0.00140   1.56628
   A101       0.89453   0.00000  -0.00016  -0.00014  -0.00029   0.89424
   A102       1.06412   0.00000  -0.00030  -0.00021  -0.00051   1.06360
   A103       0.93246   0.00000  -0.00035  -0.00024  -0.00059   0.93188
   A104       1.09289   0.00000  -0.00087  -0.00061  -0.00147   1.09142
   A105       1.49089   0.00000  -0.00035  -0.00026  -0.00061   1.49028
   A106       2.40469   0.00000   0.00453   0.00295   0.00748   2.41216
   A107       2.30035   0.00000   0.00343   0.00209   0.00552   2.30587
   A108       1.87144  -0.00001   0.00284   0.00177   0.00462   1.87607
   A109       1.70658  -0.00001   0.00326   0.00184   0.00511   1.71168
   A110       2.45126  -0.00001   0.00112   0.00048   0.00159   2.45284
   A111       2.29221  -0.00001   0.00036  -0.00029   0.00005   2.29226
   A112       0.71360   0.00000   0.00000   0.00002   0.00001   0.71362
   A113       1.00511   0.00000   0.00002   0.00002   0.00004   1.00515
   A114       0.69540   0.00000  -0.00006  -0.00002  -0.00009   0.69531
   A115       0.98303   0.00000  -0.00009  -0.00004  -0.00014   0.98290
   A116       1.80668   0.00000  -0.00014  -0.00011  -0.00025   1.80643
   A117       1.42521   0.00000  -0.00022  -0.00015  -0.00037   1.42484
   A118       1.19256   0.00000  -0.00019  -0.00016  -0.00036   1.19221
   A119       0.91889   0.00001   0.00014   0.00007   0.00020   0.91909
   A120       1.24988   0.00001  -0.00023  -0.00010  -0.00033   1.24955
   A121       1.96248  -0.00001  -0.00391  -0.00248  -0.00639   1.95608
   A122       1.99127  -0.00001  -0.00292  -0.00179  -0.00472   1.98655
   A123       2.33466   0.00000  -0.00131  -0.00079  -0.00211   2.33255
   A124       2.24140   0.00001  -0.00183  -0.00084  -0.00266   2.23874
   A125       1.63251   0.00000  -0.00207  -0.00124  -0.00331   1.62919
   A126       1.50039   0.00001  -0.00182  -0.00086  -0.00268   1.49771
   A127       0.65596   0.00000   0.00006   0.00001   0.00007   0.65603
   A128       0.66084   0.00000  -0.00007  -0.00005  -0.00013   0.66072
   A129       2.16960   0.00000   0.00008   0.00001   0.00009   2.16969
   A130       1.79674   0.00000  -0.00005  -0.00004  -0.00009   1.79665
   A131       1.50364   0.00001   0.00016   0.00005   0.00021   1.50384
   A132       1.21122   0.00000   0.00039   0.00021   0.00059   1.21181
   A133       1.64304   0.00001  -0.00028  -0.00011  -0.00039   1.64264
   A134       1.80857  -0.00001  -0.00407  -0.00249  -0.00657   1.80200
   A135       1.99279  -0.00001  -0.00353  -0.00207  -0.00560   1.98719
   A136       2.41796   0.00000  -0.00283  -0.00168  -0.00452   2.41344
   A137       2.48605   0.00000  -0.00316  -0.00162  -0.00477   2.48128
   A138       1.74140   0.00000  -0.00232  -0.00126  -0.00358   1.73782
   A139       1.70816   0.00001  -0.00209  -0.00086  -0.00295   1.70520
   A140       0.70473   0.00000  -0.00006  -0.00003  -0.00009   0.70464
   A141       0.83299   0.00000  -0.00008  -0.00006  -0.00014   0.83285
   A142       2.49910   0.00000  -0.00042  -0.00024  -0.00067   2.49844
   A143       2.11886   0.00000  -0.00046  -0.00027  -0.00072   2.11814
   A144       1.90104   0.00000  -0.00007  -0.00007  -0.00015   1.90089
   A145       1.61628   0.00000   0.00028   0.00016   0.00042   1.61671
   A146       1.83741   0.00000  -0.00073  -0.00036  -0.00109   1.83632
   A147       1.38258  -0.00001  -0.00405  -0.00247  -0.00652   1.37606
   A148       1.60592  -0.00001  -0.00357  -0.00206  -0.00564   1.60028
   A149       2.03596   0.00000  -0.00322  -0.00191  -0.00514   2.03082
   A150       2.20806   0.00000  -0.00384  -0.00208  -0.00591   2.20215
   A151       1.44302   0.00000  -0.00225  -0.00113  -0.00338   1.43964
   A152       1.50900   0.00001  -0.00207  -0.00073  -0.00280   1.50620
   A153       0.76572   0.00000   0.00007  -0.00001   0.00006   0.76578
   A154       0.76702   0.00000   0.00007  -0.00004   0.00002   0.76704
   A155       2.81007   0.00000  -0.00025  -0.00016  -0.00042   2.80965
   A156       2.42742   0.00000  -0.00032  -0.00020  -0.00053   2.42689
   A157       2.15831   0.00000   0.00029   0.00010   0.00038   2.15869
   A158       1.86481   0.00000   0.00050   0.00024   0.00073   1.86554
   A159       2.14819   0.00000  -0.00083  -0.00040  -0.00123   2.14697
   A160       1.24159   0.00000  -0.00382  -0.00220  -0.00603   1.23556
   A161       1.55181   0.00000  -0.00350  -0.00190  -0.00542   1.54639
   A162       1.95308   0.00000  -0.00356  -0.00205  -0.00563   1.94745
   A163       2.20896   0.00000  -0.00391  -0.00215  -0.00606   2.20289
   A164       1.51304   0.00000  -0.00210  -0.00090  -0.00300   1.51004
   A165       1.65788   0.00001  -0.00200  -0.00057  -0.00258   1.65531
   A166       2.15832   0.00000   0.00072   0.00036   0.00108   2.15940
   A167       1.86016   0.00000   0.00053   0.00028   0.00080   1.86097
   A168       1.47487   0.00000   0.00073   0.00038   0.00110   1.47597
   A169       1.19595   0.00000   0.00069   0.00036   0.00104   1.19699
   A170       1.86833   0.00001   0.00015   0.00013   0.00028   1.86861
   A171       2.00610   0.00000  -0.00367  -0.00215  -0.00584   2.00026
   A172       2.30041  -0.00001  -0.00359  -0.00204  -0.00563   2.29478
   A173       2.71803   0.00000  -0.00349  -0.00206  -0.00555   2.71248
   A174       2.12876   0.00000  -0.00237  -0.00124  -0.00362   2.12514
   A175       2.11600   0.00001  -0.00214  -0.00089  -0.00303   2.11296
   A176       2.26527   0.00000   0.00105   0.00056   0.00162   2.26688
   A177       2.04675   0.00000   0.00080   0.00045   0.00124   2.04799
   A178       1.63682   0.00000   0.00098   0.00056   0.00152   1.63835
   A179       1.38666   0.00000   0.00076   0.00042   0.00117   1.38783
   A180       2.13386   0.00001   0.00028   0.00021   0.00049   2.13434
   A181       1.92933   0.00000  -0.00293  -0.00166  -0.00461   1.92473
   A182       2.29487   0.00000  -0.00310  -0.00172  -0.00484   2.29003
   A183       2.61573   0.00000  -0.00299  -0.00179  -0.00480   2.61092
   A184       2.26511   0.00000  -0.00221  -0.00109  -0.00331   2.26181
   A185       2.33317   0.00001  -0.00219  -0.00085  -0.00305   2.33012
   A186       0.69194   0.00000  -0.00003  -0.00003  -0.00006   0.69188
   A187       0.98288   0.00000  -0.00014  -0.00010  -0.00023   0.98265
   A188       0.70061   0.00000   0.00006   0.00001   0.00007   0.70067
   A189       2.08747   0.00000   0.00206   0.00121   0.00327   2.09074
   A190       1.71850   0.00000   0.00178   0.00098   0.00276   1.72126
   A191       1.37948   0.00000   0.00248   0.00154   0.00402   1.38350
   A192       1.07782   0.00000   0.00227   0.00141   0.00369   1.08151
   A193       1.62535   0.00000   0.00017  -0.00014   0.00003   1.62538
   A194       1.40767  -0.00001   0.00015  -0.00037  -0.00022   1.40745
   A195       0.66657   0.00000  -0.00010  -0.00004  -0.00013   0.66644
   A196       2.24893   0.00000   0.00049   0.00015   0.00062   2.24955
   A197       1.85399   0.00000   0.00077   0.00031   0.00108   1.85507
   A198       1.62040   0.00000   0.00212   0.00129   0.00341   1.62382
   A199       1.30278   0.00000   0.00153   0.00102   0.00257   1.30535
   A200       1.61983   0.00000  -0.00065  -0.00067  -0.00132   1.61851
   A201       1.34723  -0.00001  -0.00057  -0.00077  -0.00133   1.34590
   A202       0.71056   0.00000  -0.00023  -0.00014  -0.00037   0.71019
   A203       2.64211   0.00000  -0.00051  -0.00050  -0.00105   2.64106
   A204       2.25357   0.00000   0.00024  -0.00002   0.00021   2.25378
   A205       2.03050   0.00000   0.00208   0.00127   0.00336   2.03385
   A206       1.71342   0.00000   0.00153   0.00101   0.00255   1.71597
   A207       1.96119   0.00000  -0.00127  -0.00104  -0.00231   1.95888
   A208       1.67385   0.00000  -0.00114  -0.00104  -0.00218   1.67167
   A209       0.83387   0.00001   0.00005   0.00009   0.00014   0.83401
   A210       2.69912   0.00000  -0.00239  -0.00163  -0.00405   2.69507
   A211       2.38786   0.00000  -0.00051  -0.00044  -0.00096   2.38690
   A212       2.27508   0.00000   0.00186   0.00115   0.00302   2.27810
   A213       1.95976   0.00001   0.00119   0.00086   0.00208   1.96184
   A214       2.01694   0.00000  -0.00136  -0.00101  -0.00236   2.01459
   A215       1.73518   0.00001  -0.00114  -0.00087  -0.00200   1.73318
   A216       1.93746  -0.00001  -0.00081  -0.00070  -0.00151   1.93595
   A217       1.56623  -0.00001  -0.00014  -0.00027  -0.00041   1.56583
   A218       1.47733  -0.00001   0.00138   0.00079   0.00217   1.47950
   A219       1.18608   0.00000   0.00036   0.00036   0.00075   1.18683
   A220       1.25098   0.00000  -0.00100  -0.00088  -0.00187   1.24911
   A221       0.96466   0.00000  -0.00084  -0.00087  -0.00171   0.96295
   A222       0.71683   0.00000   0.00003  -0.00002   0.00002   0.71684
   A223       1.00970   0.00000  -0.00019  -0.00018  -0.00039   1.00931
   A224       0.69794   0.00000  -0.00023  -0.00010  -0.00032   0.69762
   A225       0.98573   0.00000  -0.00033  -0.00013  -0.00046   0.98527
   A226       0.65926   0.00000  -0.00039  -0.00027  -0.00067   0.65858
   A227       0.66592  -0.00001   0.00012   0.00006   0.00019   0.66610
   A228       0.70908   0.00000   0.00034   0.00017   0.00051   0.70959
   A229       0.84441  -0.00001   0.00098   0.00043   0.00141   0.84582
   A230       0.76934   0.00000  -0.00144  -0.00082  -0.00224   0.76710
   A231       0.77905   0.00000  -0.00092  -0.00064  -0.00153   0.77752
   A232       1.57877   0.00008  -0.00193  -0.00076  -0.00269   1.57607
   A233       1.87099  -0.00006   0.00142   0.00069   0.00211   1.87310
   A234       2.18976   0.00004  -0.00008  -0.00006  -0.00014   2.18962
   A235       2.12918  -0.00001  -0.00006   0.00002  -0.00003   2.12914
   A236       1.96389  -0.00002   0.00014   0.00004   0.00018   1.96407
   A237       2.12381   0.00002  -0.00023  -0.00005  -0.00028   2.12353
   A238       2.12653   0.00001  -0.00007  -0.00004  -0.00011   2.12642
   A239       2.03196  -0.00003   0.00026   0.00009   0.00035   2.03231
   A240       1.82675   0.00003  -0.00062   0.00128   0.00066   1.82741
   A241       2.54742  -0.00004   0.00069  -0.00127  -0.00059   2.54683
   A242       1.91387   0.00000  -0.00014  -0.00006  -0.00020   1.91367
   A243       1.91505   0.00001  -0.00001   0.00021   0.00020   1.91525
   A244       1.91780  -0.00002   0.00047  -0.00009   0.00038   1.91818
   A245       1.90961   0.00002  -0.00029  -0.00004  -0.00033   1.90928
   A246       1.90841   0.00001  -0.00007   0.00000  -0.00007   1.90835
   A247       1.89897  -0.00003   0.00003  -0.00002   0.00001   1.89898
   A248       1.28182   0.00002  -0.00003  -0.00038  -0.00040   1.28142
   A249       1.90498   0.00000   0.00026   0.00012   0.00038   1.90536
   A250       1.90949  -0.00001  -0.00008  -0.00001  -0.00009   1.90941
   A251       1.92736   0.00001  -0.00011  -0.00006  -0.00017   1.92718
   A252       1.91104   0.00001  -0.00007  -0.00006  -0.00014   1.91090
   A253       1.89772   0.00000  -0.00002   0.00002   0.00000   1.89773
   A254       1.91312  -0.00001   0.00003  -0.00001   0.00002   1.91314
   A255       1.72211  -0.00001  -0.00042  -0.00033  -0.00075   1.72136
   A256       1.76707  -0.00001   0.00067   0.00032   0.00099   1.76805
   A257       2.19094  -0.00001  -0.00006  -0.00004  -0.00010   2.19084
   A258       2.12987   0.00001   0.00002   0.00002   0.00004   2.12991
   A259       1.96218   0.00000   0.00004   0.00002   0.00006   1.96224
   A260       2.12472   0.00000   0.00009   0.00004   0.00012   2.12484
   A261       2.12337  -0.00001  -0.00002   0.00000  -0.00003   2.12334
   A262       2.03487   0.00000  -0.00006  -0.00004  -0.00009   2.03478
   A263       1.34980  -0.00001   0.00061   0.00009   0.00070   1.35050
   A264       1.90030  -0.00001   0.00011   0.00003   0.00014   1.90044
   A265       1.93146   0.00000  -0.00011  -0.00004  -0.00015   1.93131
   A266       1.91016   0.00000   0.00006   0.00002   0.00008   1.91024
   A267       1.89744   0.00000  -0.00009  -0.00003  -0.00013   1.89731
   A268       1.91302   0.00000   0.00003   0.00001   0.00004   1.91306
   A269       1.91133   0.00001   0.00000   0.00002   0.00001   1.91134
   A270       2.66660   0.00000  -0.00015  -0.00001  -0.00016   2.66644
   A271       1.69679   0.00000   0.00015   0.00000   0.00015   1.69694
   A272       1.92471   0.00000  -0.00003  -0.00002  -0.00005   1.92466
   A273       1.91302   0.00000  -0.00010  -0.00006  -0.00017   1.91285
   A274       1.91349   0.00000   0.00001   0.00001   0.00002   1.91351
   A275       1.89438   0.00000   0.00000   0.00000   0.00001   1.89439
   A276       1.91104   0.00000   0.00004   0.00002   0.00006   1.91110
   A277       1.90700   0.00000   0.00008   0.00006   0.00014   1.90714
   A278       1.80353   0.00001  -0.00175  -0.00091  -0.00266   1.80087
   A279       1.75426  -0.00001   0.00125   0.00063   0.00188   1.75614
   A280       2.18951   0.00000   0.00006   0.00001   0.00007   2.18958
   A281       2.13076   0.00000  -0.00008  -0.00002  -0.00010   2.13067
   A282       1.96283   0.00000   0.00002   0.00001   0.00003   1.96286
   A283       2.12279  -0.00001   0.00015   0.00006   0.00022   2.12300
   A284       2.11576  -0.00001   0.00018   0.00007   0.00025   2.11601
   A285       2.04190   0.00002  -0.00030  -0.00011  -0.00042   2.04148
   A286       2.70074   0.00000  -0.00195  -0.00134  -0.00329   2.69745
   A287       1.65909   0.00000   0.00180   0.00123   0.00303   1.66212
   A288       1.92609   0.00000  -0.00023  -0.00008  -0.00031   1.92579
   A289       1.91506   0.00001  -0.00007   0.00000  -0.00007   1.91499
   A290       1.91219   0.00001   0.00014   0.00008   0.00023   1.91241
   A291       1.89152   0.00000  -0.00011  -0.00010  -0.00021   1.89131
   A292       1.91260   0.00000   0.00016   0.00008   0.00024   1.91285
   A293       1.90616  -0.00001   0.00011   0.00001   0.00011   1.90627
   A294       1.35004   0.00000   0.00149   0.00114   0.00263   1.35267
   A295       1.15397   0.00000  -0.00112  -0.00082  -0.00195   1.15203
   A296       1.93262   0.00000  -0.00022  -0.00012  -0.00034   1.93229
   A297       1.90684   0.00001   0.00008   0.00003   0.00011   1.90695
   A298       1.90167  -0.00001   0.00018   0.00011   0.00029   1.90196
   A299       1.90964   0.00000   0.00006   0.00003   0.00008   1.90972
   A300       1.89850   0.00000  -0.00022  -0.00015  -0.00037   1.89813
   A301       1.91449   0.00000   0.00013   0.00010   0.00023   1.91472
   A302       1.71478   0.00001   0.00011   0.00058   0.00070   1.71548
   A303       1.77420  -0.00001   0.00190   0.00054   0.00245   1.77665
   A304       2.19181   0.00001  -0.00032  -0.00014  -0.00046   2.19135
   A305       2.13027   0.00000   0.00002  -0.00003  -0.00003   2.13025
   A306       1.96083  -0.00001   0.00031   0.00017   0.00049   1.96132
   A307       2.12403  -0.00001  -0.00057  -0.00035  -0.00089   2.12314
   A308       2.12186   0.00002   0.00021   0.00019   0.00038   2.12224
   A309       2.03667  -0.00001   0.00041   0.00020   0.00060   2.03727
   A310       1.33951   0.00000  -0.00972  -0.00525  -0.01491   1.32460
   A311       3.01669   0.00000   0.00984   0.00535   0.01515   3.03185
   A312       1.90825   0.00000   0.00000   0.00001  -0.00003   1.90822
   A313       1.92934   0.00001   0.00005   0.00030  -0.00007   1.92927
   A314       1.90303   0.00000  -0.00054  -0.00037  -0.00097   1.90206
   A315       1.91249  -0.00001   0.00012   0.00004   0.00035   1.91284
   A316       1.91180   0.00000  -0.00022  -0.00015  -0.00028   1.91152
   A317       1.89881   0.00000   0.00059   0.00016   0.00099   1.89980
   A318       1.72329   0.00001   0.00292   0.00130   0.00422   1.72752
   A319       1.91340  -0.00001  -0.00009   0.00002  -0.00007   1.91333
   A320       1.91460   0.00001  -0.00005  -0.00002  -0.00007   1.91453
   A321       1.92472   0.00000  -0.00002  -0.00003  -0.00004   1.92468
   A322       1.90481   0.00002  -0.00003   0.00008   0.00006   1.90486
   A323       1.91149  -0.00001   0.00006  -0.00006   0.00000   1.91148
   A324       1.89461  -0.00001   0.00012   0.00002   0.00013   1.89474
   A325       2.93030   0.00001   0.00135   0.00073   0.00208   2.93239
   A326       3.35167  -0.00001   0.00199   0.00091   0.00289   3.35455
   A327       3.06986  -0.00001   0.00210   0.00099   0.00308   3.07294
   A328       3.19495   0.00001   0.00000  -0.00039  -0.00039   3.19456
   A329       3.26113   0.00000   0.00061   0.00011   0.00071   3.26184
   A330       3.25967   0.00000   0.00155   0.00116   0.00271   3.26238
   A331       3.63478   0.00000   0.00298   0.00124   0.00422   3.63900
   A332       3.20909   0.00000  -0.00010   0.00034   0.00024   3.20933
   A333       3.00675   0.00000  -0.00325  -0.00187  -0.00512   3.00163
   A334       2.94275   0.00000  -0.00360  -0.00211  -0.00573   2.93703
   A335       3.23066   0.00000   0.00020  -0.00010   0.00010   3.23075
   A336       3.07961   0.00000  -0.00022  -0.00011  -0.00033   3.07928
   A337       3.10404   0.00000  -0.00070  -0.00048  -0.00118   3.10287
   A338       3.03723   0.00001   0.00015   0.00020   0.00036   3.03758
    D1        2.75977   0.00001   0.00053   0.00016   0.00070   2.76047
    D2       -1.36173   0.00001   0.00005   0.00005   0.00010  -1.36163
    D3        2.78186   0.00000   0.00058   0.00076   0.00134   2.78319
    D4       -1.33964   0.00001   0.00009   0.00065   0.00074  -1.33890
    D5        1.66564   0.00001   0.00065   0.00022   0.00087   1.66651
    D6       -2.45586   0.00001   0.00017   0.00010   0.00027  -2.45559
    D7        1.84741   0.00001   0.00057   0.00028   0.00085   1.84826
    D8       -2.27409   0.00001   0.00009   0.00016   0.00025  -2.27384
    D9        0.32363  -0.00001   0.00182   0.00109   0.00291   0.32654
   D10        2.48532   0.00000   0.00133   0.00098   0.00231   2.48763
   D11        0.04102  -0.00001   0.00100   0.00060   0.00160   0.04262
   D12        2.20271   0.00000   0.00051   0.00049   0.00100   2.20371
   D13       -0.42723   0.00000   0.00068   0.00042   0.00110  -0.42613
   D14        1.73446   0.00000   0.00019   0.00031   0.00050   1.73495
   D15       -0.54683   0.00000   0.00037   0.00028   0.00065  -0.54618
   D16        1.61485   0.00000  -0.00012   0.00017   0.00005   1.61490
   D17        0.22201  -0.00001   0.00050   0.00031   0.00082   0.22283
   D18        2.38370   0.00000   0.00002   0.00020   0.00022   2.38392
   D19        0.15801  -0.00001   0.00014   0.00007   0.00021   0.15823
   D20        2.31970   0.00000  -0.00034  -0.00004  -0.00038   2.31932
   D21        2.40805  -0.00001   0.00135   0.00072   0.00207   2.41012
   D22       -1.71344   0.00000   0.00086   0.00061   0.00147  -1.71198
   D23        2.16318  -0.00001   0.00149   0.00082   0.00231   2.16549
   D24       -1.95832   0.00000   0.00100   0.00071   0.00171  -1.95660
   D25        1.72116  -0.00001   0.00162   0.00090   0.00251   1.72367
   D26       -2.40034   0.00000   0.00113   0.00079   0.00191  -2.39843
   D27        1.41380  -0.00001   0.00175   0.00098   0.00272   1.41652
   D28       -2.70770   0.00000   0.00127   0.00087   0.00212  -2.70558
   D29        2.37272  -0.00001   0.00157   0.00089   0.00246   2.37518
   D30       -1.74878   0.00000   0.00108   0.00078   0.00186  -1.74691
   D31       -1.78380   0.00000   0.00394   0.00229   0.00624  -1.77757
   D32        0.37788   0.00000   0.00345   0.00218   0.00564   0.38352
   D33       -2.11936   0.00000   0.00345   0.00192   0.00537  -2.11399
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   D93        2.05577   0.00000   0.00109   0.00050   0.00159   2.05736
   D94        1.66309   0.00000   0.00118   0.00056   0.00173   1.66482
   D95        1.37564   0.00000   0.00115   0.00052   0.00166   1.37730
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   D98       -2.44056  -0.00001   0.00189   0.00078   0.00268  -2.43788
   D99       -2.66944  -0.00001   0.00289   0.00157   0.00446  -2.66499
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   D263       1.96962   0.00000   0.00216   0.00120   0.00337   1.97299
   D264      -1.31818   0.00000   0.00046   0.00061   0.00107  -1.31711
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   D266      -1.55771   0.00000   0.00067   0.00075   0.00143  -1.55629
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   D268       1.97247   0.00000   0.00018   0.00055   0.00073   1.97320
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   D271      -2.50912   0.00000   0.00046   0.00041   0.00087  -2.50825
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   D277      -1.76399   0.00000  -0.00123  -0.00074  -0.00199  -1.76598
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   D279      -1.78361   0.00000  -0.00204  -0.00095  -0.00298  -1.78660
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   D283      -2.56794   0.00001  -0.00101  -0.00020  -0.00121  -2.56915
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   D285      -2.63482   0.00001  -0.00139  -0.00110  -0.00249  -2.63731
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   D287      -2.57077   0.00000  -0.00093  -0.00080  -0.00174  -2.57251
   D288       1.33497  -0.00001  -0.00047  -0.00043  -0.00090   1.33407
   D289      -2.88013  -0.00001  -0.00069  -0.00061  -0.00131  -2.88143
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   D299      -0.20600   0.00000  -0.00046  -0.00061  -0.00107  -0.20706
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   D301       0.18166   0.00000  -0.00027  -0.00050  -0.00076   0.18089
   D302      -1.82563   0.00000   0.00046  -0.00008   0.00038  -1.82525
   D303       0.24245   0.00000   0.00025  -0.00027  -0.00002   0.24243
   D304      -2.62084   0.00000   0.00011  -0.00023  -0.00012  -2.62095
   D305      -0.55275   0.00000  -0.00010  -0.00042  -0.00052  -0.55327
   D306      -2.74674   0.00000   0.00053   0.00002   0.00055  -2.74619
   D307      -0.67865   0.00000   0.00031  -0.00017   0.00015  -0.67851
   D308       1.52620   0.00000  -0.00083  -0.00065  -0.00148   1.52472
   D309      -2.68890   0.00000  -0.00105  -0.00083  -0.00188  -2.69079
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   D311      -1.58843   0.00000  -0.00097  -0.00078  -0.00175  -1.59018
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   D313      -1.20389   0.00000  -0.00139  -0.00111  -0.00249  -1.20638
   D314      -0.41870  -0.00001  -0.00494  -0.00331  -0.00825  -0.42695
   D315       1.64938  -0.00001  -0.00516  -0.00349  -0.00865   1.64073
   D316      -0.28047  -0.00001  -0.00379  -0.00252  -0.00632  -0.28679
   D317       1.78761  -0.00001  -0.00401  -0.00271  -0.00672   1.78089
   D318       0.14157   0.00000  -0.00306  -0.00210  -0.00517   0.13640
   D319       2.20965   0.00000  -0.00328  -0.00228  -0.00557   2.20408
   D320       0.27255   0.00000  -0.00395  -0.00243  -0.00637   0.26617
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   D324      -0.58614   0.00001  -0.00258  -0.00139  -0.00397  -0.59011
   D325       1.48195   0.00001  -0.00280  -0.00157  -0.00438   1.47757
   D326       0.03972  -0.00001   0.00235   0.00151   0.00385   0.04358
   D327       2.22616  -0.00001   0.00302   0.00186   0.00487   2.23103
   D328       0.34992   0.00000   0.00179   0.00118   0.00296   0.35288
   D329       2.53636   0.00000   0.00246   0.00153   0.00398   2.54033
   D330       0.71096   0.00001   0.00211   0.00140   0.00351   0.71448
   D331       2.89740   0.00001   0.00278   0.00175   0.00453   2.90193
   D332       0.98868   0.00001   0.00221   0.00147   0.00370   0.99237
   D333      -3.10807   0.00001   0.00288   0.00182   0.00471  -3.10335
   D334       0.29902   0.00001   0.00045   0.00035   0.00077   0.29979
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   D336       0.67854   0.00001   0.00143   0.00116   0.00258   0.68112
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   D353      -1.88697   0.00001   0.00556   0.00356   0.00913  -1.87784
   D354       2.41859   0.00001   0.00908   0.00587   0.01493   2.43353
   D355      -1.67815   0.00001   0.00975   0.00622   0.01595  -1.66220
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   D468       0.95505   0.00001   0.00191   0.00144   0.00335   0.95840
   D469       3.04763   0.00000   0.00208   0.00151   0.00359   3.05122
   D470      -1.64254   0.00000  -0.00279  -0.00191  -0.00470  -1.64724
   D471       0.46190   0.00001  -0.00281  -0.00193  -0.00474   0.45715
   D472       2.55327   0.00001  -0.00250  -0.00172  -0.00422   2.54905
   D473       1.42080   0.00000  -0.00235  -0.00163  -0.00398   1.41683
   D474      -2.75795   0.00000  -0.00237  -0.00165  -0.00402  -2.76196
   D475      -0.66657   0.00001  -0.00206  -0.00144  -0.00350  -0.67007
   D476       0.00387  -0.00001   0.00003  -0.00014  -0.00010   0.00377
   D477      -3.09854  -0.00001  -0.00145  -0.00143  -0.00289  -3.10143
   D478       3.12061  -0.00001   0.00019  -0.00003   0.00016   3.12077
   D479       0.01820  -0.00001  -0.00129  -0.00131  -0.00262   0.01558
   D480      -0.34130   0.00000  -0.01199  -0.00697  -0.01891  -0.36021
   D481       1.76552   0.00000  -0.01181  -0.00672  -0.01854   1.74698
   D482      -2.43106   0.00001  -0.01140  -0.00658  -0.01798  -2.44903
   D483       2.76293   0.00000  -0.01058  -0.00574  -0.01626   2.74667
   D484      -1.41345   0.00000  -0.01040  -0.00549  -0.01588  -1.42933
   D485       0.67316   0.00001  -0.00999  -0.00535  -0.01532   0.65784
   D486       0.01260  -0.00002   0.00012   0.00050   0.00063   0.01323
   D487       2.10399   0.00001   0.00000   0.00059   0.00061   2.10460
   D488      -2.09336   0.00000   0.00011   0.00058   0.00071  -2.09265
   D489      -3.09167  -0.00002  -0.00127  -0.00072  -0.00199  -3.09367
   D490      -1.00029   0.00001  -0.00138  -0.00062  -0.00201  -1.00230
   D491       1.08555   0.00000  -0.00128  -0.00063  -0.00192   1.08364
         Item               Value     Threshold  Converged?
 Maximum Force            0.000083     0.000450     YES
 RMS     Force            0.000009     0.000300     YES
 Maximum Displacement     0.039896     0.001800     NO 
 RMS     Displacement     0.004100     0.001200     NO 
 Predicted change in Energy=-1.252820D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:10:15 2016, MaxMem=  2952790016 cpu:         5.8
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833543   -0.607688    1.682946
      2          6           0       -2.103180    1.100602   -1.341475
      3          8           0       -2.655794    0.113229   -1.857465
      4          7           0       -0.806385    1.155348   -0.932527
      5          1           0       -2.651996    2.042449   -1.140706
      6          6           0       -0.266606    2.328690   -0.245275
      7          1           0       -1.027552    3.120880   -0.213642
      8          1           0        0.022304    2.057461    0.783160
      9          1           0        0.624087    2.699171   -0.778532
     10          6           0        0.106191    0.022214   -1.103362
     11          1           0        0.677901   -0.125036   -0.173635
     12          1           0       -0.474056   -0.883311   -1.323795
     13          1           0        0.813079    0.218311   -1.926394
     14          6           0       -1.983412   -4.026317    2.612174
     15          8           0       -2.108103   -3.880428    3.840199
     16          7           0       -2.925003   -3.717470    1.679561
     17          1           0       -1.050567   -4.415857    2.158235
     18          6           0       -4.228611   -3.163878    2.054359
     19          1           0       -4.498662   -2.371389    1.338416
     20          1           0       -5.005881   -3.945730    2.026365
     21          1           0       -4.169319   -2.741900    3.065953
     22          6           0       -2.675513   -3.894040    0.248684
     23          1           0       -3.381813   -4.626997   -0.174644
     24          1           0       -2.814085   -2.932325   -0.272300
     25          1           0       -1.645790   -4.245278    0.093956
     26          6           0        1.535476    0.380382    2.623438
     27          8           0        1.350157    1.395374    3.316306
     28          7           0        1.170622   -0.885529    2.964408
     29          1           0        2.019673    0.427796    1.628141
     30          6           0        1.487021   -2.031561    2.111498
     31          1           0        2.239715   -2.674895    2.597450
     32          1           0        0.577617   -2.629814    1.940083
     33          1           0        1.873599   -1.676490    1.146415
     34          6           0        0.531589   -1.171509    4.251531
     35          1           0        1.282209   -1.476046    5.000776
     36          1           0        0.008394   -0.273289    4.603433
     37          1           0       -0.188514   -1.991972    4.118749
     38          6           0       -4.607542    1.224213    2.898848
     39          8           0       -4.860515    1.871196    1.868515
     40          7           0       -3.507762    1.385199    3.684470
     41          1           0       -5.271834    0.414404    3.263294
     42          6           0       -2.480453    2.383210    3.374056
     43          1           0       -2.547651    2.656015    2.312637
     44          1           0       -2.614995    3.283474    3.996585
     45          1           0       -1.488814    1.952576    3.581102
     46          6           0       -3.271378    0.539569    4.855122
     47          1           0       -4.083676   -0.194065    4.950493
     48          1           0       -2.313347    0.005452    4.740433
     49          1           0       -3.222513    1.155729    5.767858
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.483975   0.000000
     3  O    3.705446   1.243597   0.000000
     4  N    3.317235   1.360850   2.315564   0.000000
     5  H    3.958042   1.108415   2.058069   2.058292   0.000000
     6  C    3.846511   2.466345   3.635333   1.463013   2.563946
     7  H    4.260151   2.551569   3.794640   2.104524   2.159000
     8  H    3.369986   3.153940   4.233811   2.108107   3.294445
     9  H    4.799389   3.210968   4.313793   2.110297   3.360830
    10  C    3.452950   2.470007   2.864527   1.464914   3.419114
    11  H    3.160253   3.255834   3.742403   2.102001   4.089185
    12  H    3.311294   2.567152   2.457210   2.102300   3.651988
    13  H    4.551287   3.102440   3.471148   2.118601   3.993936
    14  C    3.545836   6.475413   6.129080   6.387484   7.166661
    15  O    3.929370   7.187518   6.979444   7.059208   7.757944
    16  N    3.295762   5.745944   5.220852   5.920803   6.419121
    17  H    3.916772   6.617196   6.262206   6.375795   7.426796
    18  C    3.522557   5.851062   5.339996   6.268080   6.308723
    19  H    3.214374   4.997486   4.447825   5.588198   5.388708
    20  H    4.617813   6.725584   6.089516   7.239601   7.171430
    21  H    3.453030   6.201545   5.889191   6.518106   6.548911
    22  C    3.683223   5.272819   4.527081   5.512279   6.096955
    23  H    4.690696   5.983459   5.082198   6.375166   6.778453
    24  H    3.191925   4.232377   3.437034   4.601720   5.052601
    25  H    3.973940   5.554106   4.881059   5.561028   6.486320
    26  C    3.634707   5.429462   6.141385   4.327790   5.870789
    27  O    4.100740   5.805803   6.667792   4.770835   6.025022
    28  N    3.277858   5.762215   6.236140   4.822846   6.327514
    29  H    3.990302   5.125349   5.840240   3.882391   5.665520
    30  C    3.638299   5.884132   6.125007   4.968117   6.656264
    31  H    4.658444   6.973539   7.182334   6.034089   7.756029
    32  H    3.157342   5.645467   5.692153   4.949222   6.461555
    33  H    3.895268   5.451294   5.722045   4.418554   6.288278
    34  C    3.536859   6.586821   7.009265   5.837713   7.038534
    35  H    4.633568   7.637023   8.066544   6.818397   8.097875
    36  H    3.468977   6.456644   6.999322   5.775095   6.740582
    37  H    3.248923   6.560793   6.799595   5.983543   7.071574
    38  C    3.539682   4.926200   5.259860   5.397497   4.561981
    39  O    3.916868   4.301249   4.672705   4.979382   3.736615
    40  N    3.283398   5.226276   5.749505   5.354151   4.944353
    41  H    3.919695   5.631618   5.758172   6.172045   5.376736
    42  C    3.496257   4.901393   5.705469   4.780879   4.530852
    43  H    3.399738   3.996173   4.885407   3.976820   3.508978
    44  H    4.593988   5.789798   6.657478   5.665345   5.285193
    45  H    3.205742   5.033395   5.858588   4.634019   4.863799
    46  C    3.666915   6.330660   6.754224   6.320780   6.212265
    47  H    3.988865   6.722156   6.962871   6.868149   6.644878
    48  H    3.155056   6.183294   6.607659   5.981277   6.233124
    49  H    4.661049   7.197121   7.717093   7.122698   6.988563
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098910   0.000000
     8  H    1.102140   1.796293   0.000000
     9  H    1.102249   1.795787   1.792433   0.000000
    10  C    2.489000   3.417411   2.776371   2.745875   0.000000
    11  H    2.630209   3.666898   2.471550   2.888761   1.101331
    12  H    3.394582   4.191937   3.651544   3.786476   1.097840
    13  H    2.906127   3.840096   3.368899   2.740067   1.102508
    14  C    7.176249   7.744761   6.661873   7.970454   5.878967
    15  O    7.657372   8.162078   7.010182   8.490504   6.676264
    16  N    6.879544   7.344901   6.545227   7.733793   5.560399
    17  H    7.202803   7.901185   6.704158   7.877353   5.627840
    18  C    7.152210   7.408697   6.851906   8.120917   6.238020
    19  H    6.519901   6.680007   6.353122   7.512297   5.735528
    20  H    8.184707   8.413187   7.928841   9.149793   7.188397
    21  H    7.204602   7.416106   6.768657   8.207439   6.580539
    22  C    6.690979   7.220708   6.556238   7.443989   4.990286
    23  H    7.621751   8.097757   7.562235   8.371658   5.885903
    24  H    5.845396   6.311610   5.835843   6.617480   4.236505
    25  H    6.725643   7.398453   6.556071   7.357917   4.765972
    26  C    3.908058   4.704089   2.913573   4.216730   4.007515
    27  O    4.021177   4.592537   2.935708   4.358298   4.792337
    28  N    4.764336   5.566263   3.838968   5.211370   4.301601
    29  H    3.514279   4.464352   2.712800   3.591501   3.359617
    30  C    5.257507   6.186841   4.542024   5.610415   4.057094
    31  H    6.276830   7.222761   5.532066   6.548900   5.051964
    32  H    5.484092   6.347091   4.859773   5.982567   4.064241
    33  H    4.749605   5.768985   4.183496   4.940962   3.327285
    34  C    5.754109   6.386962   4.766049   6.347618   5.502801
    35  H    6.663025   7.325085   5.644583   7.160025   6.394397
    36  H    5.509618   5.983124   4.475163   6.179009   5.715278
    37  H    6.141574   6.753877   5.250573   6.830118   5.604842
    38  C    5.472578   5.108941   5.158093   6.562666   6.299347
    39  O    5.077540   4.537477   5.005458   6.145996   6.076097
    40  N    5.180557   4.935515   4.618539   6.222306   6.151563
    41  H    6.405221   6.117844   6.072775   7.504559   6.938634
    42  C    4.243071   3.940388   3.616995   5.194420   5.684391
    43  H    3.442851   2.984776   3.049957   4.429121   5.064468
    44  H    4.941652   4.502491   4.334115   5.799552   6.637027
    45  H    4.034405   3.997221   3.181660   4.901854   5.311737
    46  C    6.184146   6.114760   5.452818   7.181685   6.868709
    47  H    6.923173   6.855439   6.268581   7.959622   7.365523
    48  H    5.868891   5.991830   5.032497   6.807615   6.324903
    49  H    6.802279   6.667684   6.015744   7.748146   7.718730
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795788   0.000000
    13  H    1.791180   1.798169   0.000000
    14  C    5.483002   5.258184   6.814384   0.000000
    15  O    6.162438   6.190287   7.654185   1.242930   0.000000
    16  N    5.414872   4.802057   6.516636   1.360789   2.315650
    17  H    5.180382   4.993574   6.452355   1.108153   2.057685
    18  C    6.186467   5.541624   7.259768   2.468983   2.863429
    19  H    5.842020   5.049673   6.751304   3.269209   3.775035
    20  H    7.193267   6.414003   8.174585   3.079770   3.419266
    21  H    6.390496   6.031518   7.649226   2.575622   2.478772
    22  C    5.062522   4.047665   5.814866   2.466290   3.636085
    23  H    6.062090   4.877580   6.644002   3.175327   4.277695
    24  H    4.481581   3.283266   5.081225   3.194844   4.279013
    25  H    4.737883   3.832206   5.481922   2.550168   3.792253
    26  C    2.968921   4.606059   4.609673   5.639299   5.736782
    27  O    3.865652   5.481852   5.399985   6.403376   6.329937
    28  N    3.266257   4.592783   5.026554   4.465036   4.526197
    29  H    2.313519   4.080639   3.759584   6.068949   6.363374
    30  C    3.084046   4.118924   4.671262   4.034059   4.396774
    31  H    4.076757   5.094162   5.556176   4.434114   4.679877
    32  H    3.278989   3.848271   4.808004   2.993459   3.519597
    33  H    2.362040   3.498936   3.762596   4.748334   5.288455
    34  C    4.549571   5.672622   6.338579   4.142783   3.804656
    35  H    5.381908   6.590599   7.146790   4.782633   4.315344
    36  H    4.826033   5.978037   6.597562   4.692294   4.251298
    37  H    4.760324   5.561650   6.514008   3.103222   2.707152
    38  C    6.260714   6.273602   7.326522   5.876760   5.761137
    39  O    6.231322   6.084339   7.023035   6.603893   6.674166
    40  N    5.889445   6.279509   7.177261   5.723457   5.450699
    41  H    6.892229   6.763440   7.999842   5.563962   5.365407
    42  C    5.371463   6.063464   6.605218   6.473758   6.291986
    43  H    4.931529   5.481812   5.933488   6.712797   6.726941
    44  H    6.312831   7.088876   7.498572   7.466494   7.183515
    45  H    4.807201   5.755867   6.216019   6.077056   5.871506
    46  C    6.428601   6.930269   7.923065   5.247570   4.681843
    47  H    6.995289   7.271252   8.452209   4.956309   4.327229
    48  H    5.754360   6.399044   7.366575   4.570941   3.994072
    49  H    7.221836   7.874213   8.738779   6.192520   5.506419
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056789   0.000000
    18  C    1.465036   3.417338   0.000000
    19  H    2.098742   4.091614   1.101608   0.000000
    20  H    2.121893   3.985338   1.102826   1.791395   0.000000
    21  H    2.102889   3.654134   1.097681   1.797256   1.797161
    22  C    1.463158   2.561078   2.491126   2.613399   2.931457
    23  H    2.115182   3.304786   2.797542   2.936745   2.818894
    24  H    2.106779   3.349382   2.732735   2.397259   3.333890
    25  H    2.104545   2.155141   3.418124   3.633045   3.887692
    26  C    6.130185   5.468815   6.790458   6.755319   7.865182
    27  O    6.862733   6.393357   7.314502   7.232512   8.401820
    28  N    5.142457   4.248154   5.930496   6.082138   6.956576
    29  H    6.452573   5.759197   7.219615   7.099864   8.285212
    30  C    4.742869   3.482298   5.826993   6.044959   6.769717
    31  H    5.348252   3.748309   6.509477   6.861706   7.378335
    32  H    3.676848   2.426628   4.837159   5.118339   5.737119
    33  H    5.241796   4.132634   6.346153   6.412913   7.297329
    34  C    5.004496   4.172637   5.608619   5.935434   6.581128
    35  H    5.809912   4.707905   6.472965   6.901665   7.381500
    36  H    5.386672   4.925573   5.727609   5.947765   6.728378
    37  H    4.051587   3.234497   4.685878   5.143110   5.603773
    38  C    5.360768   6.709022   4.484651   3.921117   5.258157
    39  O    5.917356   7.357083   5.077974   4.290859   5.820883
    40  N    5.513303   6.482241   4.885795   4.538480   5.780353
    41  H    5.008814   6.509352   3.918411   3.473268   4.539989
    42  C    6.347223   7.053375   5.963878   5.551865   6.946189
    43  H    6.415956   7.230247   6.063290   5.479994   7.050382
    44  H    7.380917   8.068870   6.924186   6.526219   7.865081
    45  H    6.150441   6.540149   6.001294   5.725862   7.041093
    46  C    5.322270   6.063123   4.740896   4.727275   5.579273
    47  H    4.945291   5.900846   4.150710   4.237930   4.845202
    48  H    4.858314   5.273551   4.574700   4.690276   5.497977
    49  H    6.367947   6.984933   5.784575   5.804228   6.572979
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390558   0.000000
    23  H    3.830826   1.102404   0.000000
    24  H    3.607887   1.102508   1.789907   0.000000
    25  H    4.178649   1.098926   1.797675   1.795244   0.000000
    26  C    6.518369   6.453104   7.555318   6.186921   6.157552
    27  O    6.902487   7.320808   8.417080   6.996283   7.153754
    28  N    5.654325   5.587401   6.676594   5.526621   5.240189
    29  H    7.100556   6.528855   7.614265   6.186057   6.134082
    30  C    5.780116   4.926011   5.972292   4.999337   4.334226
    31  H    6.426484   5.582336   6.564815   5.817442   4.881673
    32  H    4.879912   3.878395   4.913034   4.060762   3.310807
    33  H    6.429353   5.139832   6.170093   5.056111   4.482459
    34  C    5.096102   5.806932   6.844424   5.895680   5.610210
    35  H    5.921577   6.640228   7.646343   6.834156   6.349700
    36  H    5.090302   6.267139   7.299199   6.229738   6.232849
    37  H    4.185400   4.977994   5.964373   5.201845   4.837354
    38  C    3.993747   6.078867   6.722011   5.527158   6.823103
    39  O    4.815835   6.374640   6.970479   5.643118   7.134057
    40  N    4.225301   6.353553   7.145287   5.897307   6.932604
    41  H    3.349140   5.864422   6.388061   5.453581   6.701159
    42  C    5.404993   7.014974   7.908775   6.454621   7.442618
    43  H    5.686368   6.868731   7.741102   6.162988   7.305049
    44  H    6.291831   8.097353   8.975674   7.543154   8.535337
    45  H    5.430340   6.833461   7.808960   6.361392   7.113243
    46  C    3.843887   6.421154   7.211391   6.209156   6.943054
    47  H    3.170219   6.146523   6.812528   6.032204   6.778021
    48  H    3.714358   5.959279   6.838069   5.831703   6.332779
    49  H    4.836139   7.500710   8.293288   7.304963   7.990625
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242828   0.000000
    28  N    1.360849   2.314862   0.000000
    29  H    1.107840   2.057756   2.057017   0.000000
    30  C    2.466151   3.635132   1.463200   2.562380   0.000000
    31  H    3.135497   4.227902   2.116470   3.258016   1.102985
    32  H    3.231987   4.323534   2.107943   3.394969   1.101954
    33  H    2.554729   3.797205   2.103543   2.163658   1.098591
    34  C    2.463095   2.851945   1.465207   3.413846   2.496454
    35  H    3.026914   3.329731   2.123195   3.942478   2.949317
    36  H    2.584501   2.498292   2.100480   3.659116   3.389337
    37  H    3.291832   3.805987   2.098564   4.115155   2.614965
    38  C    6.206817   5.974759   6.151625   6.794775   6.954400
    39  O    6.610683   6.394916   6.721245   7.034072   7.455318
    40  N    5.250685   4.871861   5.249950   5.974751   6.252707
    41  H    6.837400   6.694466   6.579088   7.472615   7.279526
    42  C    4.549992   3.956353   4.917603   5.207974   6.068369
    43  H    4.684766   4.217757   5.176186   5.127762   6.188086
    44  H    5.247846   4.444111   5.725109   5.936713   6.973499
    45  H    3.540515   2.905228   3.937989   4.295171   5.185430
    46  C    5.302037   4.945598   5.033594   6.198478   6.064697
    47  H    6.109013   5.892659   5.659532   6.976790   6.516821
    48  H    4.408592   4.169087   4.010755   5.351617   5.050101
    49  H    5.755606   5.193924   5.596937   6.719200   6.760732
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787941   0.000000
    33  H    1.798987   1.793963   0.000000
    34  C    2.813156   2.733415   3.420196   0.000000
    35  H    2.851321   3.345963   3.904615   1.103422   0.000000
    36  H    3.843238   3.601480   4.171203   1.097437   1.796416
    37  H    2.945680   2.395910   3.631337   1.099700   1.790859
    38  C    7.885355   6.531357   7.313706   5.829229   6.811657
    39  O    8.462361   7.059567   7.645639   6.634124   7.664734
    40  N    7.120356   5.987782   6.691391   4.814008   5.732644
    41  H    8.149263   6.725639   7.740169   6.096839   7.039042
    42  C    6.961862   6.044706   6.356203   4.741137   5.630071
    43  H    7.170676   6.151917   6.299058   5.281190   6.242423
    44  H    7.812038   7.027726   7.271326   5.460116   6.232947
    45  H    6.023536   5.287852   5.513950   3.780399   4.631360
    46  C    6.767719   5.775570   6.718349   4.213629   4.981875
    47  H    7.188644   6.059958   7.222030   4.769132   5.517130
    48  H    5.701492   4.810848   5.768571   3.117359   3.897517
    49  H    7.386548   6.589626   7.439728   4.669964   5.273250
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796542   0.000000
    38  C    5.143441   5.599984   0.000000
    39  O    5.982045   6.466469   1.242646   0.000000
    40  N    3.994800   4.755133   1.361115   2.315993   0.000000
    41  H    5.490874   5.688813   1.109006   2.058357   2.057129
    42  C    3.842227   4.994974   2.468523   2.862430   1.465519
    43  H    4.512420   5.516462   2.576209   2.482443   2.102073
    44  H    4.461053   5.808017   3.068522   3.400819   2.120825
    45  H    2.870761   4.187996   3.274515   3.782584   2.099703
    46  C    3.388361   4.056476   2.465984   3.635713   1.463350
    47  H    4.107526   4.369961   2.548567   3.790431   2.104416
    48  H    2.342424   2.981797   3.184359   4.268135   2.108409
    49  H    3.719776   4.672550   3.186567   4.289501   2.115308
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417641   0.000000
    43  H    3.653729   1.097976   0.000000
    44  H    3.978451   1.102778   1.798311   0.000000
    45  H    4.096121   1.100754   1.795819   1.792260   0.000000
    46  C    2.559572   2.493618   3.386349   2.949057   2.607153
    47  H    2.151417   3.420208   4.176196   3.893616   3.635465
    48  H    3.331940   2.747479   3.602024   3.374867   2.411472
    49  H    3.319957   2.790636   3.826859   2.834394   2.902168
                   46         47         48         49
    46  C    0.000000
    47  H    1.098701   0.000000
    48  H    1.102841   1.793877   0.000000
    49  H    1.102327   1.797673   1.790340   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2141081      0.1938499      0.1841907
 Leave Link  202 at Mon Nov 14 02:10:15 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1425745717 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840078852 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9585666866 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4025
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     212
 GePol: Fraction of low-weight points (<1% of avg)   =       5.27%
 GePol: Cavity surface area                          =    467.086 Ang**2
 GePol: Cavity volume                                =    457.833 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040070451 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9545596415 Hartrees.
 Leave Link  301 at Mon Nov 14 02:10:15 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:10:16 2016, MaxMem=  2952790016 cpu:        15.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:10:17 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000501    0.003527   -0.000665
         Rot=    1.000000   -0.000132   -0.000019   -0.000199 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50884730744    
 Leave Link  401 at Mon Nov 14 02:10:23 2016, MaxMem=  2952790016 cpu:        79.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48601875.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.21D-15 for   2417.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.26D-15 for   1842   1012.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.01D-14 for   2703.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.84D-08 for   2459   2451.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.20D-14 for    229.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.76D-14 for   1350     26.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.66D-15 for   3256.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.06D-15 for   1855    692.
 E= -1013.45113760232    
 DIIS: error= 3.29D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45113760232     IErMin= 1 ErrMin= 3.29D-04
 ErrMax= 3.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.09D-05 BMatP= 9.09D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.29D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=5.04D-05 MaxDP=1.82D-03              OVMax= 2.70D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.04D-05    CP:  1.00D+00
 E= -1013.45128686045     Delta-E=       -0.000149258133 Rises=F Damp=F
 DIIS: error= 6.26D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128686045     IErMin= 2 ErrMin= 6.26D-05
 ErrMax= 6.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-06 BMatP= 9.09D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.310D-01 0.969D+00
 Coeff:      0.310D-01 0.969D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.33D-05 MaxDP=8.60D-04 DE=-1.49D-04 OVMax= 1.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.30D-05    CP:  1.00D+00  9.55D-01
 E= -1013.45127735840     Delta-E=        0.000009502049 Rises=F Damp=F
 DIIS: error= 1.92D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128686045     IErMin= 2 ErrMin= 6.26D-05
 ErrMax= 1.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-05 BMatP= 2.28D-06
 IDIUse=3 WtCom= 4.19D-01 WtEn= 5.81D-01
 Coeff-Com:  0.264D-02 0.719D+00 0.279D+00
 Coeff-En:   0.000D+00 0.800D+00 0.200D+00
 Coeff:      0.111D-02 0.766D+00 0.233D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.09D-06 MaxDP=5.82D-04 DE= 9.50D-06 OVMax= 9.54D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.80D-06    CP:  1.00D+00  9.75D-01  4.26D-01
 E= -1013.45128864583     Delta-E=       -0.000011287426 Rises=F Damp=F
 DIIS: error= 1.48D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128864583     IErMin= 4 ErrMin= 1.48D-05
 ErrMax= 1.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-07 BMatP= 2.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.602D-04 0.276D+00 0.330D-01 0.691D+00
 Coeff:     -0.602D-04 0.276D+00 0.330D-01 0.691D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.74D-06 MaxDP=1.01D-04 DE=-1.13D-05 OVMax= 8.72D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.80D-07    CP:  1.00D+00  9.80D-01  3.28D-01  7.36D-01
 E= -1013.45128879780     Delta-E=       -0.000000151975 Rises=F Damp=F
 DIIS: error= 9.32D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128879780     IErMin= 5 ErrMin= 9.32D-06
 ErrMax= 9.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-08 BMatP= 2.14D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.178D-04 0.148D+00 0.743D-02 0.463D+00 0.382D+00
 Coeff:     -0.178D-04 0.148D+00 0.743D-02 0.463D+00 0.382D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.31D-07 MaxDP=2.59D-05 DE=-1.52D-07 OVMax= 3.15D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.85D-07    CP:  1.00D+00  9.81D-01  3.25D-01  7.57D-01  6.42D-01
 E= -1013.45128882707     Delta-E=       -0.000000029262 Rises=F Damp=F
 DIIS: error= 5.83D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128882707     IErMin= 6 ErrMin= 5.83D-07
 ErrMax= 5.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-10 BMatP= 3.42D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-04 0.452D-01 0.126D-02 0.151D+00 0.152D+00 0.651D+00
 Coeff:     -0.167D-04 0.452D-01 0.126D-02 0.151D+00 0.152D+00 0.651D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.55D-08 MaxDP=2.52D-06 DE=-2.93D-08 OVMax= 3.54D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.82D-08    CP:  1.00D+00  9.81D-01  3.26D-01  7.62D-01  6.37D-01
                    CP:  9.20D-01
 E= -1013.45128882742     Delta-E=       -0.000000000358 Rises=F Damp=F
 DIIS: error= 2.48D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45128882742     IErMin= 7 ErrMin= 2.48D-07
 ErrMax= 2.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.35D-11 BMatP= 2.89D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-04 0.107D-01 0.349D-04 0.388D-01 0.464D-01 0.362D+00
 Coeff-Com:  0.542D+00
 Coeff:     -0.115D-04 0.107D-01 0.349D-04 0.388D-01 0.464D-01 0.362D+00
 Coeff:      0.542D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.39D-08 MaxDP=1.03D-06 DE=-3.58D-10 OVMax= 1.61D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.69D-08    CP:  1.00D+00  9.81D-01  3.26D-01  7.63D-01  6.39D-01
                    CP:  9.20D-01  7.14D-01
 E= -1013.45128882739     Delta-E=        0.000000000029 Rises=F Damp=F
 DIIS: error= 7.55D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45128882742     IErMin= 8 ErrMin= 7.55D-08
 ErrMax= 7.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.06D-12 BMatP= 6.35D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.554D-05 0.354D-02-0.471D-05 0.135D-01 0.177D-01 0.166D+00
 Coeff-Com:  0.306D+00 0.493D+00
 Coeff:     -0.554D-05 0.354D-02-0.471D-05 0.135D-01 0.177D-01 0.166D+00
 Coeff:      0.306D+00 0.493D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.92D-09 MaxDP=7.99D-07 DE= 2.91D-11 OVMax= 1.21D-06

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45128883     A.U. after    8 cycles
            NFock=  8  Conv=0.99D-08     -V/T= 2.0213
 KE= 9.923489609299D+02 PE=-6.027430816578D+03 EE= 2.173676007179D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:12:06 2016, MaxMem=  2952790016 cpu:      1170.6
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 02:12:14 2016, MaxMem=  2952790016 cpu:        96.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:12:14 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:12:51 2016, MaxMem=  2952790016 cpu:       438.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.20925852D+00-2.68713062D+00 3.26447161D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000054467   -0.000031904   -0.000145647
      2        6           0.000027692   -0.000115396   -0.000019397
      3        8           0.000046749    0.000092058   -0.000158212
      4        7          -0.000114919   -0.000047677    0.000007316
      5        1           0.000019018   -0.000005363    0.000099561
      6        6           0.000009438    0.000196126    0.000222976
      7        1           0.000050230    0.000033431   -0.000005554
      8        1           0.000035600    0.000012482    0.000009905
      9        1           0.000024239   -0.000082756   -0.000017947
     10        6           0.000058036    0.000030592    0.000025456
     11        1           0.000024383    0.000070084    0.000057784
     12        1           0.000037682    0.000017850   -0.000019238
     13        1           0.000032818    0.000020301    0.000017596
     14        6          -0.000020404   -0.000016179   -0.000009004
     15        8          -0.000008522   -0.000020781   -0.000014424
     16        7          -0.000034913   -0.000036419   -0.000034305
     17        1           0.000013493    0.000039385   -0.000034805
     18        6          -0.000039178    0.000001209   -0.000033978
     19        1           0.000007922   -0.000002014   -0.000044809
     20        1           0.000003795   -0.000001423   -0.000051258
     21        1           0.000013539   -0.000002607   -0.000045674
     22        6          -0.000000243    0.000013266   -0.000017274
     23        1           0.000029996    0.000010646   -0.000055225
     24        1           0.000033593    0.000019442   -0.000037224
     25        1           0.000015996    0.000011126   -0.000028670
     26        6          -0.000021340    0.000052449    0.000059790
     27        8           0.000036171   -0.000039144    0.000034131
     28        7          -0.000019455   -0.000056179    0.000030351
     29        1          -0.000026614    0.000000735    0.000019512
     30        6          -0.000019863    0.000030237    0.000063144
     31        1           0.000011923   -0.000016421   -0.000033025
     32        1           0.000014057    0.000007138   -0.000038144
     33        1          -0.000007908    0.000011049    0.000013734
     34        6          -0.000016278    0.000014512    0.000014001
     35        1          -0.000021449   -0.000014175    0.000013396
     36        1          -0.000027339   -0.000016897    0.000001843
     37        1          -0.000009438   -0.000021593    0.000009704
     38        6           0.000065066   -0.000016042   -0.000041661
     39        8          -0.000007079   -0.000047382    0.000034327
     40        7          -0.000148608   -0.000131028    0.000065468
     41        1           0.000002901   -0.000039985   -0.000015088
     42        6          -0.000230986   -0.000180109    0.000233121
     43        1          -0.000003824    0.000074009    0.000039504
     44        1           0.000243688    0.000110398   -0.000144853
     45        1          -0.000125105    0.000093521    0.000034294
     46        6           0.000077360   -0.000035877   -0.000148770
     47        1          -0.000027684   -0.000008035    0.000032658
     48        1          -0.000024421    0.000051646    0.000051685
     49        1          -0.000034282   -0.000028307    0.000002930
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000243688 RMS     0.000065703
 Leave Link  716 at Mon Nov 14 02:12:51 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000130290 RMS     0.000014841
 Search for a local minimum.
 Step number  44 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .14841D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   36   37   38   39   40
                                                     41   42   43   44
 DE= -1.39D-06 DEPred=-1.25D-06 R= 1.11D+00
 TightC=F SS=  1.41D+00  RLast= 1.37D-01 DXNew= 2.2445D+00 4.1212D-01
 Trust test= 1.11D+00 RLast= 1.37D-01 DXMaxT set to 1.33D+00
 ITU=  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  0
     Eigenvalues ---    0.00006   0.00038   0.00097   0.00108   0.00169
     Eigenvalues ---    0.00241   0.00347   0.00353   0.00413   0.00455
     Eigenvalues ---    0.00592   0.00646   0.00713   0.00748   0.00811
     Eigenvalues ---    0.00840   0.00959   0.01016   0.01058   0.01101
     Eigenvalues ---    0.01175   0.01233   0.01258   0.01337   0.01409
     Eigenvalues ---    0.01424   0.01556   0.01630   0.01666   0.01718
     Eigenvalues ---    0.01758   0.01814   0.01866   0.01897   0.01956
     Eigenvalues ---    0.02079   0.02139   0.02199   0.02284   0.02426
     Eigenvalues ---    0.02469   0.02695   0.02790   0.03097   0.03234
     Eigenvalues ---    0.03827   0.03923   0.04379   0.04546   0.04776
     Eigenvalues ---    0.04886   0.05556   0.05921   0.06086   0.06269
     Eigenvalues ---    0.06472   0.06561   0.06961   0.07026   0.07097
     Eigenvalues ---    0.07425   0.07575   0.07952   0.08008   0.08140
     Eigenvalues ---    0.08162   0.08373   0.08382   0.08605   0.08681
     Eigenvalues ---    0.08803   0.08874   0.09015   0.09356   0.09578
     Eigenvalues ---    0.09740   0.09830   0.09899   0.10183   0.10417
     Eigenvalues ---    0.10466   0.10509   0.10611   0.11002   0.11234
     Eigenvalues ---    0.11359   0.11465   0.12028   0.13183   0.13408
     Eigenvalues ---    0.13890   0.14073   0.14607   0.15210   0.15315
     Eigenvalues ---    0.15603   0.18247   0.21929   0.23269   0.23754
     Eigenvalues ---    0.23817   0.24766   0.24917   0.25806   0.26834
     Eigenvalues ---    0.27309   0.27719   0.28708   0.29278   0.29750
     Eigenvalues ---    0.29848   0.32657   0.32729   0.32820   0.32827
     Eigenvalues ---    0.33096   0.33304   0.33348   0.33376   0.33387
     Eigenvalues ---    0.33416   0.33425   0.33474   0.33688   0.33743
     Eigenvalues ---    0.33793   0.33828   0.33908   0.33929   0.33943
     Eigenvalues ---    0.34006   0.34129   0.35273   0.37324   0.39715
     Eigenvalues ---    0.40553   0.42059   0.85975   0.86042   0.86150
     Eigenvalues ---    0.87327
 Eigenvalue     1 is   5.66D-05 Eigenvector:
                         D381      D373      D383      D375      D399
   1                   -0.18616  -0.17758  -0.17715  -0.17689  -0.17442
                         D397      D371      D369      D395      D379
   1                   -0.17053  -0.16823  -0.16749  -0.16234  -0.16115
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    44   43   42   41   40
 RFO step:  Lambda=-4.23360285D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  6.76D-07 SmlDif=  1.00D-05
 RMS Error=  0.4256677886D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.36981   -4.08208    2.15163    1.04073   -0.48009
 Iteration  1 RMS(Cart)=  0.00261630 RMS(Int)=  0.00015027
 Iteration  2 RMS(Cart)=  0.00001082 RMS(Int)=  0.00005569
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00005569
 ITry= 1 IFail=0 DXMaxC= 2.76D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58376   0.00007   0.00291   0.00077   0.00368   6.58743
    R2        6.26867  -0.00001  -0.00143  -0.00023  -0.00166   6.26700
    R3        7.26885  -0.00003  -0.00363  -0.00108  -0.00471   7.26414
    R4        6.36835  -0.00001  -0.00580  -0.00243  -0.00823   6.36012
    R5        6.52513   0.00004   0.00006   0.00008   0.00014   6.52527
    R6        5.97201  -0.00001  -0.00026   0.00038   0.00012   5.97213
    R7        6.70066  -0.00001  -0.00017  -0.00006  -0.00023   6.70043
    R8        6.22809   0.00001   0.00014  -0.00006   0.00007   6.22816
    R9        6.65667   0.00001  -0.00032  -0.00032  -0.00064   6.65603
   R10        6.07429   0.00001   0.00110  -0.00055   0.00054   6.07483
   R11        6.96028   0.00000  -0.00021   0.00037   0.00014   6.96042
   R12        6.03186   0.00000  -0.00037   0.00024  -0.00012   6.03174
   R13        6.86860  -0.00001   0.00162   0.00006   0.00168   6.87028
   R14        6.19425   0.00000  -0.00087   0.00092   0.00008   6.19433
   R15        6.87539  -0.00002  -0.00240   0.00136  -0.00101   6.87438
   R16        5.96651   0.00000  -0.00116  -0.00006  -0.00123   5.96528
   R17        6.68370   0.00002  -0.00054   0.00121   0.00068   6.68438
   R18        6.68903  -0.00005  -0.00517  -0.00091  -0.00602   6.68301
   R19        6.20472  -0.00001   0.00137  -0.00013   0.00138   6.20610
   R20        6.60697   0.00006   0.00853   0.00088   0.00950   6.61647
   R21        6.05798   0.00008  -0.00612   0.00225  -0.00419   6.05379
   R22        6.92947  -0.00004  -0.00205  -0.00008  -0.00200   6.92747
   R23        5.96219   0.00003   0.00048   0.00008   0.00058   5.96277
   R24        2.35006   0.00000  -0.00006  -0.00002  -0.00008   2.34998
   R25        2.57163  -0.00002  -0.00008   0.00006  -0.00002   2.57161
   R26        2.09460  -0.00001  -0.00001  -0.00001  -0.00002   2.09458
   R27        2.76469   0.00009   0.00026   0.00000   0.00026   2.76496
   R28        2.76829   0.00002   0.00002   0.00003   0.00006   2.76834
   R29        2.07664  -0.00002  -0.00003   0.00000  -0.00003   2.07661
   R30        2.08274  -0.00004  -0.00004   0.00002   0.00000   2.08274
   R31        2.08295   0.00000  -0.00002  -0.00001  -0.00002   2.08293
   R32        2.08121   0.00001   0.00000  -0.00002  -0.00003   2.08119
   R33        2.07462   0.00000   0.00001   0.00001   0.00001   2.07463
   R34        2.08344   0.00001   0.00001   0.00001   0.00002   2.08345
   R35        2.34880   0.00001   0.00001   0.00000   0.00001   2.34881
   R36        2.57152   0.00001   0.00003  -0.00002   0.00001   2.57153
   R37        2.09411   0.00000  -0.00002   0.00000  -0.00002   2.09408
   R38        2.76852   0.00000   0.00003   0.00000   0.00003   2.76855
   R39        2.76497   0.00001   0.00004  -0.00002   0.00003   2.76500
   R40        2.08174   0.00000  -0.00001   0.00001   0.00000   2.08173
   R41        2.08404   0.00000  -0.00002   0.00000  -0.00001   2.08403
   R42        2.07432   0.00000   0.00003   0.00000   0.00003   2.07435
   R43        2.08324   0.00000  -0.00001   0.00000   0.00000   2.08324
   R44        2.08344   0.00000   0.00004   0.00002   0.00011   2.08355
   R45        2.07667   0.00000   0.00002  -0.00001   0.00001   2.07668
   R46        2.34860  -0.00003  -0.00005  -0.00002  -0.00007   2.34854
   R47        2.57163   0.00002   0.00007  -0.00007  -0.00003   2.57160
   R48        2.09351   0.00000   0.00001   0.00000   0.00001   2.09353
   R49        2.76505   0.00000   0.00002  -0.00008  -0.00011   2.76493
   R50        2.76884  -0.00001   0.00002  -0.00006  -0.00005   2.76879
   R51        2.08434   0.00000   0.00001   0.00000   0.00001   2.08435
   R52        2.08239  -0.00001  -0.00005  -0.00001  -0.00013   2.08226
   R53        2.07604   0.00000   0.00000   0.00001   0.00001   2.07604
   R54        2.08517   0.00000  -0.00001   0.00001   0.00001   2.08517
   R55        2.07386   0.00000   0.00002  -0.00003  -0.00001   2.07385
   R56        2.07813   0.00000  -0.00001   0.00002   0.00001   2.07815
   R57        2.34826  -0.00006  -0.00006  -0.00004  -0.00010   2.34816
   R58        2.57213  -0.00004   0.00006  -0.00004  -0.00006   2.57208
   R59        2.09572   0.00001   0.00001  -0.00003  -0.00002   2.09570
   R60        2.76943   0.00008  -0.00009   0.00009  -0.00009   2.76934
   R61        2.76533  -0.00006  -0.00020   0.00007  -0.00016   2.76517
   R62        2.07487   0.00000  -0.00016   0.00000  -0.00015   2.07472
   R63        2.08395  -0.00002   0.00001   0.00000   0.00001   2.08396
   R64        2.08012  -0.00008   0.00015  -0.00015  -0.00019   2.07993
   R65        2.07624   0.00000   0.00007  -0.00002   0.00005   2.07629
   R66        2.08407  -0.00005  -0.00013   0.00011  -0.00001   2.08406
   R67        2.08310   0.00000   0.00004   0.00000   0.00004   2.08313
    A1        0.67940   0.00002   0.00025   0.00003   0.00028   0.67968
    A2        0.95582   0.00001   0.00027  -0.00001   0.00026   0.95609
    A3        0.72806   0.00000  -0.00016  -0.00007  -0.00023   0.72783
    A4        1.02000  -0.00001  -0.00014  -0.00003  -0.00018   1.01982
    A5        2.34195  -0.00001  -0.00102  -0.00013  -0.00116   2.34079
    A6        2.02210  -0.00001  -0.00142   0.00005  -0.00138   2.02072
    A7        1.97656  -0.00001  -0.00177   0.00033  -0.00145   1.97511
    A8        1.68285  -0.00001  -0.00194   0.00039  -0.00156   1.68130
    A9        1.65265  -0.00001  -0.00120  -0.00005  -0.00126   1.65139
   A10        1.37103  -0.00001  -0.00130   0.00000  -0.00134   1.36970
   A11        1.73459   0.00000   0.00069  -0.00027   0.00043   1.73502
   A12        2.03966   0.00000   0.00042  -0.00028   0.00015   2.03981
   A13        1.94419  -0.00001  -0.00006  -0.00020  -0.00025   1.94394
   A14        2.03067  -0.00002   0.00004  -0.00050  -0.00045   2.03022
   A15        2.43466   0.00000   0.00057  -0.00033   0.00024   2.43490
   A16        1.55458   0.00002  -0.00263   0.00119  -0.00146   1.55312
   A17        1.76411   0.00002  -0.00139   0.00091  -0.00049   1.76362
   A18        1.55691   0.00002   0.00054   0.00045   0.00096   1.55787
   A19        1.70190   0.00001  -0.00086   0.00019  -0.00062   1.70128
   A20        2.17392   0.00001  -0.00127   0.00092  -0.00034   2.17358
   A21        2.39527   0.00001  -0.00099   0.00054  -0.00045   2.39482
   A22        0.64124   0.00001   0.00046   0.00021   0.00066   0.64191
   A23        0.65927   0.00000   0.00005   0.00004   0.00009   0.65936
   A24        2.39223   0.00000  -0.00027  -0.00024  -0.00051   2.39172
   A25        2.21833  -0.00001  -0.00116   0.00003  -0.00113   2.21720
   A26        2.31766  -0.00001  -0.00179   0.00032  -0.00148   2.31618
   A27        2.05312  -0.00001  -0.00207   0.00040  -0.00168   2.05144
   A28        1.81107  -0.00001  -0.00114   0.00005  -0.00110   1.80997
   A29        1.57001  -0.00001  -0.00142   0.00012  -0.00133   1.56869
   A30        1.34131   0.00001   0.00072  -0.00028   0.00045   1.34176
   A31        1.64035   0.00001   0.00060  -0.00024   0.00037   1.64072
   A32        1.58906   0.00000   0.00039  -0.00011   0.00027   1.58933
   A33        1.73973  -0.00001   0.00065  -0.00040   0.00024   1.73998
   A34        2.03785   0.00000   0.00063  -0.00033   0.00030   2.03815
   A35        1.81156   0.00001  -0.00392   0.00114  -0.00279   1.80877
   A36        1.89224   0.00001  -0.00276   0.00077  -0.00201   1.89023
   A37        1.55480   0.00001  -0.00115   0.00045  -0.00074   1.55406
   A38        1.57988   0.00000  -0.00225   0.00018  -0.00205   1.57784
   A39        2.26166   0.00000  -0.00190   0.00052  -0.00136   2.26030
   A40        2.35728   0.00000  -0.00143  -0.00013  -0.00155   2.35573
   A41        0.68785   0.00000   0.00023   0.00015   0.00038   0.68823
   A42        0.74540  -0.00001   0.00013   0.00022   0.00035   0.74575
   A43        2.65641   0.00000   0.00048  -0.00018   0.00029   2.65670
   A44        2.59577   0.00001  -0.00077   0.00012  -0.00066   2.59512
   A45        2.65471   0.00001  -0.00153   0.00035  -0.00119   2.65352
   A46        2.35025   0.00001  -0.00166   0.00035  -0.00131   2.34894
   A47        2.18836   0.00001  -0.00082   0.00016  -0.00068   2.18768
   A48        1.95415   0.00001  -0.00111   0.00020  -0.00093   1.95322
   A49        1.09798  -0.00001   0.00082  -0.00015   0.00068   1.09865
   A50        1.45789  -0.00001   0.00075  -0.00010   0.00065   1.45854
   A51        1.55681  -0.00001   0.00075   0.00004   0.00079   1.55760
   A52        1.79122  -0.00001   0.00107  -0.00021   0.00085   1.79207
   A53        1.78579  -0.00001   0.00062  -0.00023   0.00040   1.78618
   A54        1.66731   0.00001  -0.00477   0.00090  -0.00388   1.66343
   A55        1.62077   0.00001  -0.00354   0.00052  -0.00304   1.61773
   A56        1.22898   0.00000  -0.00211   0.00033  -0.00183   1.22714
   A57        1.20610  -0.00001  -0.00280   0.00008  -0.00271   1.20339
   A58        1.93323  -0.00001  -0.00220   0.00020  -0.00199   1.93124
   A59        1.98164  -0.00002  -0.00173  -0.00033  -0.00205   1.97959
   A60        0.83782   0.00000   0.00056   0.00055   0.00111   0.83893
   A61        0.77377  -0.00001   0.00056   0.00075   0.00132   0.77509
   A62        2.59774   0.00000   0.00124   0.00029   0.00153   2.59927
   A63        2.76067   0.00000   0.00006   0.00056   0.00062   2.76129
   A64        2.60983   0.00000  -0.00165   0.00006  -0.00159   2.60824
   A65        2.38554   0.00000  -0.00045   0.00060   0.00014   2.38568
   A66        2.19147   0.00000  -0.00091   0.00052  -0.00041   2.19106
   A67        0.85483  -0.00001   0.00112   0.00022   0.00135   0.85618
   A68        1.23099   0.00000   0.00107   0.00029   0.00136   1.23236
   A69        1.40843  -0.00001   0.00126   0.00055   0.00181   1.41024
   A70        1.67870  -0.00001   0.00157   0.00037   0.00192   1.68062
   A71        1.52250  -0.00001   0.00075  -0.00002   0.00074   1.52324
   A72        1.68505   0.00001  -0.00532   0.00018  -0.00515   1.67990
   A73        1.53434   0.00001  -0.00422  -0.00015  -0.00438   1.52996
   A74        1.10907   0.00000  -0.00328  -0.00018  -0.00351   1.10556
   A75        1.00897   0.00000  -0.00363  -0.00030  -0.00392   1.00504
   A76        1.77162  -0.00001  -0.00246  -0.00044  -0.00288   1.76874
   A77        1.76074  -0.00001  -0.00194  -0.00080  -0.00273   1.75801
   A78        1.99445   0.00000   0.00000  -0.00029  -0.00030   1.99415
   A79        1.93621   0.00000  -0.00078  -0.00005  -0.00084   1.93538
   A80        2.21357   0.00000  -0.00131   0.00018  -0.00114   2.21243
   A81        2.07074   0.00000  -0.00189   0.00036  -0.00154   2.06920
   A82        1.54775   0.00000  -0.00100   0.00006  -0.00096   1.54679
   A83        1.38079   0.00000  -0.00139   0.00015  -0.00127   1.37952
   A84        1.20093   0.00000   0.00014  -0.00035  -0.00020   1.20073
   A85        1.38582   0.00000   0.00014  -0.00029  -0.00015   1.38567
   A86        1.21721  -0.00001   0.00005  -0.00014  -0.00009   1.21712
   A87        1.32178  -0.00001   0.00046  -0.00042   0.00004   1.32182
   A88        1.81259   0.00000   0.00018  -0.00038  -0.00020   1.81240
   A89        2.24340   0.00001  -0.00375   0.00115  -0.00259   2.24080
   A90        2.30180   0.00001  -0.00314   0.00072  -0.00244   2.29937
   A91        1.91579   0.00000  -0.00203   0.00048  -0.00158   1.91421
   A92        1.84595   0.00000  -0.00317   0.00023  -0.00293   1.84302
   A93        2.60854  -0.00001  -0.00193   0.00017  -0.00173   2.60682
   A94        2.55343  -0.00001  -0.00124  -0.00069  -0.00189   2.55153
   A95        1.91218   0.00001   0.00040  -0.00041  -0.00001   1.91217
   A96        1.98962   0.00001  -0.00038  -0.00018  -0.00057   1.98905
   A97        2.36471   0.00001  -0.00079  -0.00002  -0.00081   2.36390
   A98        2.31820   0.00001  -0.00166   0.00025  -0.00141   2.31678
   A99        1.66008   0.00001  -0.00083   0.00000  -0.00084   1.65925
   A100       1.56628   0.00001  -0.00130   0.00011  -0.00121   1.56508
   A101       0.89424  -0.00001   0.00001  -0.00033  -0.00032   0.89392
   A102       1.06360   0.00000   0.00017  -0.00029  -0.00011   1.06349
   A103       0.93188   0.00000   0.00027  -0.00016   0.00011   0.93199
   A104       1.09142   0.00000   0.00076  -0.00044   0.00031   1.09172
   A105       1.49028   0.00000   0.00021  -0.00038  -0.00017   1.49011
   A106       2.41216   0.00000  -0.00460   0.00113  -0.00348   2.40868
   A107       2.30587   0.00000  -0.00369   0.00054  -0.00315   2.30272
   A108       1.87607  -0.00001  -0.00298   0.00052  -0.00249   1.87357
   A109       1.71168   0.00000  -0.00362   0.00031  -0.00331   1.70837
   A110       2.45284  -0.00001  -0.00152  -0.00024  -0.00172   2.45113
   A111       2.29226  -0.00002  -0.00094  -0.00084  -0.00175   2.29051
   A112       0.71362   0.00000   0.00001   0.00002   0.00003   0.71364
   A113       1.00515   0.00000  -0.00004   0.00004   0.00000   1.00515
   A114       0.69531   0.00000   0.00004  -0.00002   0.00002   0.69534
   A115       0.98290   0.00000   0.00005  -0.00003   0.00003   0.98293
   A116       1.80643   0.00001  -0.00006  -0.00024  -0.00031   1.80612
   A117       1.42484   0.00000   0.00005  -0.00022  -0.00017   1.42467
   A118       1.19221   0.00001  -0.00003  -0.00030  -0.00032   1.19188
   A119       0.91909   0.00001  -0.00033  -0.00007  -0.00039   0.91870
   A120       1.24955   0.00001   0.00019  -0.00007   0.00012   1.24967
   A121       1.95608  -0.00001   0.00424  -0.00068   0.00358   1.95966
   A122       1.98655  -0.00001   0.00311  -0.00044   0.00268   1.98924
   A123       2.33255   0.00000   0.00125  -0.00023   0.00107   2.33362
   A124       2.23874   0.00001   0.00194  -0.00004   0.00187   2.24061
   A125       1.62919   0.00000   0.00218  -0.00030   0.00187   1.63107
   A126       1.49771   0.00001   0.00196   0.00002   0.00198   1.49969
   A127       0.65603   0.00000  -0.00010   0.00004  -0.00006   0.65597
   A128       0.66072   0.00000   0.00005  -0.00002   0.00005   0.66076
   A129       2.16969   0.00001  -0.00037  -0.00022  -0.00060   2.16910
   A130       1.79665   0.00000  -0.00018  -0.00019  -0.00037   1.79628
   A131       1.50384   0.00001  -0.00049  -0.00020  -0.00068   1.50316
   A132       1.21181   0.00001  -0.00071  -0.00004  -0.00072   1.21109
   A133       1.64264   0.00001   0.00024  -0.00007   0.00017   1.64282
   A134       1.80200  -0.00001   0.00466  -0.00059   0.00410   1.80610
   A135       1.98719  -0.00001   0.00407  -0.00039   0.00370   1.99090
   A136       2.41344   0.00000   0.00322  -0.00037   0.00289   2.41633
   A137       2.48128   0.00000   0.00358  -0.00020   0.00337   2.48466
   A138       1.73782   0.00000   0.00273  -0.00017   0.00256   1.74038
   A139       1.70520   0.00001   0.00253   0.00018   0.00271   1.70792
   A140       0.70464   0.00000   0.00006  -0.00002   0.00004   0.70468
   A141       0.83285   0.00000   0.00011   0.00002   0.00014   0.83299
   A142       2.49844   0.00001   0.00033  -0.00023   0.00011   2.49854
   A143       2.11814   0.00000   0.00037  -0.00024   0.00014   2.11828
   A144       1.90089   0.00001  -0.00019  -0.00025  -0.00042   1.90047
   A145       1.61671   0.00001  -0.00053  -0.00003  -0.00054   1.61616
   A146       1.83632   0.00001   0.00083  -0.00013   0.00071   1.83703
   A147       1.37606  -0.00001   0.00464  -0.00060   0.00408   1.38014
   A148       1.60028  -0.00001   0.00422  -0.00036   0.00389   1.60417
   A149       2.03082   0.00000   0.00376  -0.00041   0.00338   2.03420
   A150       2.20215  -0.00001   0.00450  -0.00033   0.00416   2.20631
   A151       1.43964   0.00000   0.00284  -0.00005   0.00279   1.44243
   A152       1.50620   0.00001   0.00276   0.00034   0.00311   1.50930
   A153       0.76578   0.00000  -0.00018   0.00001  -0.00017   0.76561
   A154       0.76704   0.00000  -0.00015   0.00006  -0.00008   0.76696
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   A159       2.14697   0.00001   0.00100  -0.00013   0.00089   2.14785
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   A164       1.51004   0.00001   0.00297   0.00007   0.00305   1.51309
   A165       1.65531   0.00001   0.00295   0.00042   0.00338   1.65868
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   A185       2.33012   0.00001   0.00281   0.00029   0.00312   2.33325
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   A239       2.03231  -0.00005  -0.00034   0.00029  -0.00005   2.03226
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   A248       1.28142   0.00003   0.00061  -0.00005   0.00056   1.28198
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   A250       1.90941  -0.00001   0.00010  -0.00004   0.00006   1.90947
   A251       1.92718   0.00002   0.00009   0.00002   0.00011   1.92730
   A252       1.91090   0.00003   0.00008  -0.00015  -0.00006   1.91084
   A253       1.89773   0.00000   0.00001   0.00002   0.00003   1.89776
   A254       1.91314  -0.00001  -0.00003  -0.00003  -0.00006   1.91308
   A255       1.72136   0.00000   0.00026  -0.00041  -0.00015   1.72121
   A256       1.76805  -0.00003  -0.00061   0.00058  -0.00003   1.76802
   A257       2.19084   0.00000   0.00004  -0.00005  -0.00002   2.19082
   A258       2.12991   0.00001  -0.00001   0.00003   0.00002   2.12993
   A259       1.96224  -0.00001  -0.00003   0.00003   0.00000   1.96223
   A260       2.12484   0.00000  -0.00014   0.00001  -0.00013   2.12472
   A261       2.12334   0.00000   0.00003   0.00004   0.00008   2.12342
   A262       2.03478   0.00000   0.00009  -0.00005   0.00003   2.03481
   A263       1.35050  -0.00001  -0.00123   0.00013  -0.00109   1.34940
   A264       1.90044  -0.00001  -0.00017   0.00003  -0.00014   1.90030
   A265       1.93131   0.00001   0.00016  -0.00005   0.00011   1.93142
   A266       1.91024  -0.00001  -0.00010   0.00002  -0.00008   1.91016
   A267       1.89731   0.00000   0.00013  -0.00002   0.00012   1.89743
   A268       1.91306   0.00000  -0.00005   0.00003  -0.00001   1.91306
   A269       1.91134   0.00001   0.00002  -0.00002   0.00000   1.91135
   A270       2.66644   0.00001  -0.00001  -0.00034  -0.00035   2.66609
   A271       1.69694   0.00000   0.00004   0.00032   0.00036   1.69730
   A272       1.92466   0.00000   0.00003  -0.00001   0.00001   1.92467
   A273       1.91285   0.00000   0.00012  -0.00004   0.00011   1.91296
   A274       1.91351   0.00001  -0.00002   0.00002   0.00001   1.91351
   A275       1.89439   0.00001   0.00001  -0.00005  -0.00004   1.89435
   A276       1.91110   0.00000  -0.00006   0.00003  -0.00003   1.91107
   A277       1.90714  -0.00001  -0.00009   0.00005  -0.00006   1.90709
   A278       1.80087   0.00003   0.00205  -0.00066   0.00137   1.80224
   A279       1.75614  -0.00003  -0.00147   0.00053  -0.00094   1.75520
   A280       2.18958   0.00001   0.00002  -0.00006  -0.00006   2.18952
   A281       2.13067   0.00000   0.00002   0.00002   0.00004   2.13071
   A282       1.96286  -0.00001  -0.00004   0.00004   0.00002   1.96288
   A283       2.12300  -0.00002  -0.00019   0.00003  -0.00018   2.12282
   A284       2.11601  -0.00001  -0.00024   0.00013  -0.00011   2.11590
   A285       2.04148   0.00003   0.00039  -0.00016   0.00025   2.04173
   A286       2.69745   0.00002   0.00175  -0.00146   0.00029   2.69774
   A287       1.66212  -0.00001  -0.00160   0.00131  -0.00030   1.66182
   A288       1.92579   0.00000   0.00030  -0.00010   0.00020   1.92599
   A289       1.91499   0.00001   0.00015  -0.00004   0.00008   1.91508
   A290       1.91241   0.00001  -0.00018   0.00013  -0.00003   1.91238
   A291       1.89131   0.00001   0.00008  -0.00015  -0.00006   1.89125
   A292       1.91285  -0.00001  -0.00021   0.00011  -0.00010   1.91275
   A293       1.90627  -0.00002  -0.00015   0.00005  -0.00010   1.90617
   A294       1.35267   0.00000  -0.00159   0.00162   0.00003   1.35269
   A295       1.15203   0.00001   0.00119  -0.00118   0.00002   1.15204
   A296       1.93229   0.00000   0.00027  -0.00015   0.00011   1.93240
   A297       1.90695   0.00000  -0.00010   0.00006  -0.00002   1.90693
   A298       1.90196  -0.00001  -0.00021   0.00011  -0.00008   1.90188
   A299       1.90972   0.00000  -0.00007   0.00005  -0.00003   1.90969
   A300       1.89813   0.00000   0.00024  -0.00017   0.00007   1.89820
   A301       1.91472   0.00000  -0.00013   0.00009  -0.00005   1.91467
   A302       1.71548   0.00000   0.00025   0.00027   0.00051   1.71599
   A303       1.77665  -0.00003  -0.00272  -0.00045  -0.00318   1.77347
   A304       2.19135   0.00001   0.00043  -0.00003   0.00042   2.19177
   A305       2.13025   0.00001  -0.00008  -0.00008  -0.00014   2.13011
   A306       1.96132  -0.00001  -0.00036   0.00011  -0.00028   1.96104
   A307       2.12314   0.00000   0.00066  -0.00005   0.00053   2.12367
   A308       2.12224   0.00002  -0.00021   0.00007  -0.00007   2.12216
   A309       2.03727  -0.00003  -0.00051  -0.00002  -0.00050   2.03677
   A310       1.32460   0.00004   0.01093  -0.00055   0.01024   1.33484
   A311       3.03185   0.00000  -0.01089   0.00042  -0.01037   3.02147
   A312       1.90822   0.00001   0.00000   0.00018   0.00029   1.90851
   A313       1.92927   0.00002  -0.00033   0.00071   0.00147   1.93074
   A314       1.90206   0.00000   0.00043  -0.00025   0.00032   1.90238
   A315       1.91284  -0.00004   0.00001  -0.00003  -0.00051   1.91233
   A316       1.91152   0.00002   0.00036  -0.00009   0.00004   1.91156
   A317       1.89980   0.00000  -0.00046  -0.00053  -0.00161   1.89819
   A318       1.72752   0.00001  -0.00332  -0.00039  -0.00371   1.72380
   A319       1.91333  -0.00001   0.00019   0.00000   0.00019   1.91352
   A320       1.91453   0.00003   0.00015  -0.00017  -0.00001   1.91452
   A321       1.92468  -0.00001  -0.00006  -0.00002  -0.00009   1.92459
   A322       1.90486   0.00002   0.00013   0.00005   0.00017   1.90504
   A323       1.91148  -0.00002  -0.00021   0.00007  -0.00014   1.91135
   A324       1.89474  -0.00002  -0.00021   0.00007  -0.00012   1.89462
   A325       2.93239   0.00000  -0.00150   0.00032  -0.00119   2.93120
   A326       3.35455  -0.00001  -0.00205   0.00014  -0.00189   3.35267
   A327       3.07294  -0.00001  -0.00216   0.00018  -0.00196   3.07098
   A328       3.19456   0.00002   0.00059  -0.00008   0.00051   3.19506
   A329       3.26184   0.00000  -0.00120   0.00011  -0.00109   3.26075
   A330       3.26238   0.00000  -0.00167   0.00167   0.00000   3.26239
   A331       3.63900  -0.00001  -0.00353  -0.00032  -0.00385   3.63515
   A332       3.20933   0.00000   0.00056   0.00079   0.00134   3.21067
   A333       3.00163  -0.00001   0.00400  -0.00028   0.00375   3.00538
   A334       2.93703  -0.00001   0.00444  -0.00039   0.00408   2.94110
   A335       3.23075   0.00001  -0.00020  -0.00015  -0.00035   3.23040
   A336       3.07928   0.00000   0.00027  -0.00010   0.00017   3.07946
   A337       3.10287   0.00001   0.00074  -0.00064   0.00009   3.10296
   A338       3.03758   0.00002  -0.00008   0.00013   0.00004   3.03762
    D1        2.76047   0.00001  -0.00068   0.00017  -0.00051   2.75995
    D2       -1.36163   0.00002   0.00010   0.00031   0.00041  -1.36122
    D3        2.78319   0.00000  -0.00040   0.00074   0.00034   2.78353
    D4       -1.33890   0.00001   0.00038   0.00088   0.00126  -1.33764
    D5        1.66651   0.00001  -0.00104  -0.00012  -0.00117   1.66535
    D6       -2.45559   0.00002  -0.00026   0.00002  -0.00025  -2.45583
    D7        1.84826   0.00001  -0.00110  -0.00022  -0.00132   1.84694
    D8       -2.27384   0.00002  -0.00032  -0.00008  -0.00040  -2.27424
    D9        0.32654  -0.00001  -0.00224   0.00035  -0.00189   0.32465
   D10        2.48763   0.00000  -0.00146   0.00049  -0.00096   2.48666
   D11        0.04262  -0.00001  -0.00132   0.00005  -0.00127   0.04135
   D12        2.20371   0.00000  -0.00054   0.00019  -0.00035   2.20336
   D13       -0.42613   0.00000  -0.00096  -0.00005  -0.00100  -0.42714
   D14        1.73495   0.00000  -0.00018   0.00009  -0.00008   1.73487
   D15       -0.54618   0.00000  -0.00058  -0.00025  -0.00083  -0.54701
   D16        1.61490   0.00000   0.00020  -0.00011   0.00010   1.61500
   D17        0.22283  -0.00001  -0.00085  -0.00025  -0.00110   0.22173
   D18        2.38392   0.00000  -0.00007  -0.00011  -0.00018   2.38374
   D19        0.15823  -0.00001  -0.00041  -0.00036  -0.00077   0.15746
   D20        2.31932   0.00000   0.00037  -0.00022   0.00015   2.31946
   D21        2.41012  -0.00001  -0.00226  -0.00045  -0.00271   2.40741
   D22       -1.71198   0.00000  -0.00148  -0.00031  -0.00179  -1.71376
   D23        2.16549  -0.00001  -0.00247  -0.00042  -0.00289   2.16260
   D24       -1.95660  -0.00001  -0.00169  -0.00028  -0.00197  -1.95858
   D25        1.72367  -0.00001  -0.00257  -0.00028  -0.00284   1.72083
   D26       -2.39843   0.00000  -0.00179  -0.00014  -0.00192  -2.40034
   D27        1.41652  -0.00001  -0.00273  -0.00017  -0.00287   1.41365
   D28       -2.70558   0.00000  -0.00195  -0.00003  -0.00195  -2.70753
   D29        2.37518  -0.00001  -0.00269  -0.00061  -0.00330   2.37188
   D30       -1.74691  -0.00001  -0.00191  -0.00047  -0.00238  -1.74930
   D31       -1.77757   0.00000  -0.00509   0.00011  -0.00498  -1.78255
   D32        0.38352   0.00000  -0.00431   0.00025  -0.00406   0.37946
   D33       -2.11399   0.00000  -0.00461  -0.00015  -0.00476  -2.11875
   D34        0.04710   0.00001  -0.00383  -0.00001  -0.00384   0.04326
   D35       -2.49449  -0.00001  -0.00500   0.00012  -0.00490  -2.49939
   D36       -0.33341   0.00000  -0.00422   0.00026  -0.00398  -0.33739
   D37       -2.77880   0.00001  -0.00485   0.00003  -0.00485  -2.78365
   D38       -0.61771   0.00001  -0.00407   0.00017  -0.00393  -0.62164
   D39       -2.12029  -0.00001  -0.00273  -0.00070  -0.00343  -2.12372
   D40        0.04079   0.00000  -0.00195  -0.00057  -0.00251   0.03829
   D41       -2.36636  -0.00002  -0.00248  -0.00154  -0.00401  -2.37037
   D42       -0.20527  -0.00001  -0.00171  -0.00140  -0.00309  -0.20836
   D43        1.26213   0.00002  -0.00021  -0.00072  -0.00093   1.26120
   D44       -1.92504   0.00002  -0.00075  -0.00170  -0.00246  -1.92750
   D45        2.45980   0.00000  -0.00090  -0.00099  -0.00189   2.45791
   D46       -0.72737   0.00000  -0.00144  -0.00197  -0.00342  -0.73079
   D47        2.94647   0.00000  -0.00099  -0.00112  -0.00211   2.94436
   D48       -0.24070   0.00000  -0.00153  -0.00210  -0.00364  -0.24434
   D49        2.86295   0.00001  -0.00282  -0.00078  -0.00358   2.85936
   D50       -0.32423   0.00002  -0.00336  -0.00176  -0.00511  -0.32934
   D51        2.05557   0.00000  -0.00222  -0.00082  -0.00306   2.05250
   D52       -1.13161   0.00001  -0.00276  -0.00180  -0.00459  -1.13619
   D53        1.17366  -0.00001  -0.00056  -0.00119  -0.00175   1.17191
   D54       -2.01352   0.00000  -0.00110  -0.00218  -0.00327  -2.01679
   D55        1.03051   0.00000   0.00027  -0.00138  -0.00111   1.02940
   D56       -2.15666   0.00000  -0.00027  -0.00237  -0.00263  -2.15929
   D57        2.02948   0.00000  -0.00091  -0.00119  -0.00211   2.02737
   D58       -1.15770   0.00001  -0.00145  -0.00217  -0.00364  -1.16133
   D59        1.83586   0.00000  -0.00037  -0.00124  -0.00163   1.83423
   D60       -1.35132   0.00001  -0.00092  -0.00222  -0.00315  -1.35447
   D61       -2.26965   0.00000  -0.00176  -0.00146  -0.00322  -2.27288
   D62        0.82636   0.00000  -0.00230  -0.00244  -0.00475   0.82161
   D63       -2.40677   0.00000  -0.00157  -0.00132  -0.00289  -2.40965
   D64        0.68925   0.00001  -0.00211  -0.00230  -0.00441   0.68483
   D65       -2.80934   0.00000  -0.00172  -0.00118  -0.00289  -2.81223
   D66        0.28668   0.00000  -0.00226  -0.00216  -0.00442   0.28226
   D67       -2.98745   0.00000  -0.00159  -0.00128  -0.00285  -2.99030
   D68        0.10856   0.00000  -0.00213  -0.00226  -0.00437   0.10419
   D69       -2.13199   0.00001  -0.00134  -0.00130  -0.00265  -2.13464
   D70        0.96402   0.00001  -0.00189  -0.00229  -0.00418   0.95984
   D71       -0.16234   0.00000  -0.00205  -0.00151  -0.00356  -0.16590
   D72        2.93367   0.00000  -0.00259  -0.00249  -0.00508   2.92859
   D73       -0.55536   0.00000  -0.00239  -0.00153  -0.00391  -0.55927
   D74        2.54065   0.00000  -0.00293  -0.00252  -0.00544   2.53521
   D75       -0.73887   0.00000  -0.00424  -0.00103  -0.00524  -0.74411
   D76        2.35715   0.00000  -0.00478  -0.00201  -0.00677   2.35038
   D77       -1.07764   0.00002  -0.00370  -0.00093  -0.00465  -1.08229
   D78        2.01838   0.00002  -0.00424  -0.00192  -0.00618   2.01220
   D79       -0.82763  -0.00001  -0.00075  -0.00196  -0.00270  -0.83034
   D80        2.26838   0.00000  -0.00129  -0.00294  -0.00423   2.26415
   D81       -1.13459   0.00000  -0.00065  -0.00208  -0.00272  -1.13731
   D82        1.96142   0.00000  -0.00119  -0.00307  -0.00425   1.95717
   D83       -1.53350   0.00002  -0.00004   0.00006   0.00002  -1.53348
   D84       -2.60785  -0.00001  -0.00045   0.00005  -0.00040  -2.60825
   D85       -2.94696  -0.00001  -0.00006   0.00057   0.00051  -2.94644
   D86        0.73583   0.00000  -0.00155   0.00019  -0.00136   0.73447
   D87        0.31335  -0.00001  -0.00137   0.00018  -0.00119   0.31217
   D88       -0.06185   0.00000  -0.00168   0.00036  -0.00132  -0.06317
   D89       -0.39755   0.00000  -0.00104   0.00018  -0.00086  -0.39841
   D90        0.18661   0.00000  -0.00068  -0.00007  -0.00076   0.18586
   D91       -0.05073   0.00000  -0.00044  -0.00011  -0.00057  -0.05130
   D92        2.40662   0.00000  -0.00157  -0.00012  -0.00169   2.40493
   D93        2.05736   0.00000  -0.00142  -0.00012  -0.00153   2.05583
   D94        1.66482   0.00000  -0.00156  -0.00009  -0.00163   1.66319
   D95        1.37730   0.00000  -0.00155  -0.00007  -0.00160   1.37571
   D96        2.05856   0.00000  -0.00127  -0.00008  -0.00134   2.05721
   D97       -1.92415   0.00000  -0.00404  -0.00002  -0.00415  -1.92829
   D98       -2.43788   0.00000  -0.00287  -0.00058  -0.00347  -2.44135
   D99       -2.66499  -0.00001  -0.00367  -0.00001  -0.00368  -2.66867
   D100      -2.99150   0.00001  -0.00232   0.00006  -0.00231  -2.99381
   D101      -2.87855  -0.00002   0.00044  -0.00184  -0.00133  -2.87987
   D102       2.86738   0.00000   0.00120  -0.00138  -0.00015   2.86723
   D103      -2.89661   0.00000   0.00224  -0.00099   0.00125  -2.89536
   D104       1.20019   0.00000   0.00235  -0.00107   0.00129   1.20149
   D105       2.81496   0.00001   0.00297  -0.00086   0.00211   2.81707
   D106       0.62858   0.00002   0.00309  -0.00093   0.00215   0.63074
   D107       2.31949  -0.00002   0.00335  -0.00083   0.00251   2.32200
   D108       0.13311  -0.00001   0.00347  -0.00090   0.00255   0.13566
   D109       1.76328  -0.00001   0.00207  -0.00104   0.00102   1.76430
   D110      -0.42310  -0.00001   0.00218  -0.00112   0.00107  -0.42203
   D111       2.59623   0.00000   0.00215  -0.00067   0.00147   2.59770
   D112       0.40985   0.00000   0.00226  -0.00075   0.00152   0.41137
   D113       2.25940   0.00000   0.00202  -0.00059   0.00143   2.26083
   D114       0.07302   0.00000   0.00214  -0.00066   0.00147   0.07449
   D115      -1.61127   0.00000   0.00014  -0.00009   0.00005  -1.61122
   D116       2.48554   0.00000   0.00026  -0.00017   0.00009   2.48563
   D117      -1.77286   0.00000  -0.00016  -0.00008  -0.00024  -1.77310
   D118       2.32395   0.00000  -0.00004  -0.00015  -0.00019   2.32375
   D119      -2.73485   0.00000   0.00008  -0.00005   0.00003  -2.73482
   D120       1.36196   0.00000   0.00019  -0.00012   0.00007   1.36203
   D121      -2.69800   0.00000   0.00002  -0.00015  -0.00013  -2.69813
   D122       1.39881   0.00000   0.00014  -0.00022  -0.00008   1.39873
   D123       1.32965   0.00000   0.00202  -0.00016   0.00185   1.33150
   D124      -0.85673   0.00000   0.00213  -0.00024   0.00189  -0.85483
   D125       1.29906   0.00000   0.00196  -0.00032   0.00164   1.30070
   D126      -0.88732   0.00000   0.00208  -0.00039   0.00169  -0.88564
   D127       1.65423   0.00000   0.00211  -0.00048   0.00162   1.65585
   D128      -0.53215   0.00000   0.00222  -0.00055   0.00167  -0.53048
   D129       1.77876   0.00001   0.00175  -0.00024   0.00149   1.78025
   D130      -0.40761   0.00001   0.00187  -0.00031   0.00153  -0.40608
   D131       0.89833   0.00000   0.00186  -0.00030   0.00156   0.89989
   D132      -1.28805   0.00000   0.00198  -0.00037   0.00161  -1.28644
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   D351      -2.30176   0.00001  -0.00443   0.00081  -0.00369  -2.30544
   D352       2.21789   0.00001  -0.00508   0.00124  -0.00387   2.21402
   D353      -1.87784   0.00001  -0.00593   0.00111  -0.00487  -1.88271
   D354       2.43353   0.00001  -0.00949   0.00225  -0.00720   2.42633
   D355      -1.66220   0.00001  -0.01034   0.00211  -0.00819  -1.67039
   D356       3.07607   0.00001  -0.00849   0.00127  -0.00699   3.06908
   D357      -1.01966   0.00001  -0.00934   0.00113  -0.00799  -1.02765
   D358       2.55501   0.00000  -0.00346   0.00071  -0.00275   2.55226
   D359      -1.54072   0.00000  -0.00432   0.00057  -0.00375  -1.54447
   D360       1.61185   0.00000   0.00111  -0.00013   0.00097   1.61281
   D361      -2.48388  -0.00001   0.00025  -0.00027  -0.00003  -2.48391
   D362       1.77979  -0.00001  -0.00208   0.00002  -0.00198   1.77781
   D363      -2.31594  -0.00001  -0.00294  -0.00012  -0.00298  -2.31891
   D364       2.73976  -0.00001   0.00021  -0.00021   0.00000   2.73976
   D365      -1.35597  -0.00001  -0.00065  -0.00035  -0.00100  -1.35697
   D366       2.71570  -0.00001  -0.00110  -0.00039  -0.00150   2.71419
   D367      -1.38003  -0.00002  -0.00196  -0.00052  -0.00250  -1.38253
   D368       0.03554   0.00000   0.00032   0.00069   0.00104   0.03658
   D369      -2.60495   0.00000  -0.01556   0.00471  -0.01086  -2.61581
   D370       0.43552  -0.00001   0.00015   0.00067   0.00086   0.43638
   D371      -2.20497   0.00000  -0.01573   0.00468  -0.01104  -2.21601
   D372       0.64342   0.00000  -0.00079   0.00062  -0.00011   0.64331
   D373      -1.99707   0.00001  -0.01667   0.00463  -0.01201  -2.00908
   D374       0.91500   0.00000  -0.00104   0.00032  -0.00065   0.91434
   D375      -1.72549   0.00001  -0.01691   0.00433  -0.01255  -1.73804
   D376       0.68191   0.00000   0.00143   0.00066   0.00214   0.68406
   D377      -1.95858   0.00001  -0.01445   0.00467  -0.00975  -1.96833
   D378       1.02017   0.00000   0.00101   0.00072   0.00178   1.02195
   D379      -1.62031   0.00001  -0.01486   0.00473  -0.01012  -1.63043
   D380      -2.78848   0.00000  -0.00173   0.00043  -0.00125  -2.78973
   D381       0.85422   0.00001  -0.01761   0.00444  -0.01315   0.84107
   D382      -2.22956   0.00000  -0.00098   0.00029  -0.00058  -2.23014
   D383       1.41314   0.00001  -0.01686   0.00430  -0.01248   1.40066
   D384      -1.98383   0.00000   0.00119   0.00017   0.00141  -1.98242
   D385       1.65887   0.00001  -0.01468   0.00418  -0.01049   1.64838
   D386      -1.65028   0.00000   0.00207   0.00011   0.00221  -1.64808
   D387       1.99241   0.00001  -0.01381   0.00412  -0.00969   1.98272
   D388      -1.70222  -0.00001   0.00061  -0.00004   0.00064  -1.70158
   D389       1.94048   0.00000  -0.01527   0.00397  -0.01126   1.92922
   D390      -1.10646   0.00000   0.00549  -0.00035   0.00501  -1.10145
   D391       2.53624   0.00001  -0.01039   0.00366  -0.00689   2.52935
   D392       1.77576   0.00000   0.00106   0.00031   0.00139   1.77715
   D393      -0.86473   0.00000  -0.01482   0.00432  -0.01051  -0.87523
   D394       2.07513   0.00000   0.00076   0.00045   0.00122   2.07635
   D395      -0.56536   0.00001  -0.01512   0.00446  -0.01068  -0.57604
   D396       2.01875  -0.00001   0.00007   0.00076   0.00081   2.01956
   D397      -0.62174   0.00000  -0.01581   0.00477  -0.01109  -0.63282
   D398       2.21538  -0.00001  -0.00030   0.00055   0.00020   2.21559
   D399      -0.42510   0.00000  -0.01618   0.00456  -0.01170  -0.43680
   D400       2.47719  -0.00001   0.00106   0.00028   0.00135   2.47855
   D401      -0.16329   0.00000  -0.01482   0.00429  -0.01054  -0.17384
   D402      -1.52650  -0.00001   0.00495  -0.00059   0.00436  -1.52215
   D403       2.11619  -0.00001  -0.01093   0.00342  -0.00754   2.10865
   D404      -2.62575  -0.00001   0.00412  -0.00072   0.00339  -2.62235
   D405       1.01695   0.00000  -0.01176   0.00329  -0.00851   1.00844
   D406      -2.98988  -0.00001   0.00291  -0.00086   0.00204  -2.98784
   D407       0.65281   0.00000  -0.01297   0.00315  -0.00986   0.64295
   D408       1.89224   0.00000  -0.00286   0.00155  -0.00130   1.89094
   D409       2.38353   0.00000  -0.00346   0.00190  -0.00157   2.38196
   D410       2.61636   0.00002  -0.00361   0.00152  -0.00210   2.61426
   D411       2.85081   0.00001  -0.00392   0.00102  -0.00291   2.84790
   D412       2.79894   0.00002  -0.00430   0.00283  -0.00154   2.79740
   D413      -2.98413   0.00000  -0.00521   0.00241  -0.00283  -2.98696
   D414      -0.77149   0.00001  -0.00258   0.00095  -0.00163  -0.77312
   D415      -0.39030   0.00001  -0.00260   0.00091  -0.00171  -0.39201
   D416      -0.08199   0.00001  -0.00244   0.00105  -0.00141  -0.08340
   D417       0.22717   0.00001  -0.00251   0.00103  -0.00150   0.22567
   D418      -0.25275   0.00001  -0.00277   0.00073  -0.00206  -0.25481
   D419       0.06160   0.00000  -0.00212   0.00056  -0.00159   0.06001
   D420      -2.58197   0.00000  -0.00263   0.00123  -0.00139  -2.58337
   D421      -2.19873   0.00001  -0.00275   0.00121  -0.00152  -2.20025
   D422      -1.95672   0.00000  -0.00338   0.00132  -0.00204  -1.95876
   D423      -1.64133   0.00000  -0.00308   0.00103  -0.00206  -1.64339
   D424      -1.98165   0.00000  -0.00209   0.00102  -0.00106  -1.98271
   D425       1.34181  -0.00001   0.00143   0.00018   0.00164   1.34345
   D426       2.48781   0.00001   0.00146   0.00015   0.00161   2.48942
   D427       2.95587  -0.00002  -0.00058   0.00019  -0.00025   2.95563
   D428      -3.06198  -0.00011  -0.00260   0.00030  -0.00230  -3.06427
   D429       0.03156  -0.00009  -0.00103   0.00052  -0.00051   0.03105
   D430       0.05147  -0.00007  -0.00282   0.00051  -0.00231   0.04916
   D431      -3.13818  -0.00005  -0.00125   0.00072  -0.00053  -3.13871
   D432      -0.08418  -0.00003  -0.00084  -0.00141  -0.00225  -0.08643
   D433       2.01328   0.00002  -0.00011  -0.00145  -0.00157   2.01171
   D434      -2.18232  -0.00003  -0.00058  -0.00136  -0.00195  -2.18426
   D435       3.10301  -0.00005  -0.00234  -0.00161  -0.00394   3.09906
   D436      -1.08272   0.00000  -0.00161  -0.00165  -0.00326  -1.08598
   D437       1.00487  -0.00005  -0.00208  -0.00156  -0.00364   1.00123
   D438      -2.36035  -0.00002  -0.00202  -0.00057  -0.00260  -2.36295
   D439      -0.26958  -0.00001  -0.00202  -0.00067  -0.00269  -0.27227
   D440       1.83742  -0.00002  -0.00193  -0.00072  -0.00265   1.83477
   D441       0.73557   0.00000  -0.00052  -0.00038  -0.00090   0.73467
   D442       2.82634   0.00001  -0.00051  -0.00048  -0.00099   2.82534
   D443      -1.34985   0.00000  -0.00043  -0.00053  -0.00095  -1.35080
   D444      -0.00253   0.00001   0.00069  -0.00040   0.00029  -0.00224
   D445       3.11515   0.00000   0.00017  -0.00031  -0.00015   3.11500
   D446      -3.12294   0.00003   0.00092  -0.00053   0.00039  -3.12255
   D447      -0.00525   0.00002   0.00040  -0.00045  -0.00005  -0.00530
   D448       2.42743  -0.00001   0.00087  -0.00018   0.00069   2.42812
   D449      -1.77143   0.00000   0.00102  -0.00021   0.00081  -1.77061
   D450       0.33650   0.00001   0.00109  -0.00026   0.00083   0.33733
   D451      -0.69141   0.00000   0.00136  -0.00026   0.00110  -0.69031
   D452       1.39292   0.00000   0.00152  -0.00029   0.00123   1.39415
   D453      -2.78234   0.00002   0.00159  -0.00034   0.00125  -2.78109
   D454       2.05789   0.00000   0.00027   0.00025   0.00052   2.05841
   D455      -2.14085   0.00001   0.00038   0.00015   0.00054  -2.14031
   D456      -0.04761   0.00001   0.00034   0.00020   0.00054  -0.04706
   D457      -1.10643  -0.00001  -0.00023   0.00033   0.00010  -1.10633
   D458       0.97801   0.00000  -0.00012   0.00023   0.00012   0.97813
   D459       3.07125   0.00000  -0.00016   0.00028   0.00012   3.07138
   D460      -3.09008   0.00003   0.00190  -0.00055   0.00136  -3.08872
   D461      -0.02965   0.00003   0.00132  -0.00059   0.00073  -0.02892
   D462       0.06484   0.00002   0.00196  -0.00069   0.00128   0.06612
   D463       3.12527   0.00002   0.00138  -0.00073   0.00065   3.12592
   D464       1.93946  -0.00002  -0.00259   0.00183  -0.00076   1.93870
   D465      -2.26105   0.00000  -0.00221   0.00156  -0.00066  -2.26171
   D466      -0.16823  -0.00001  -0.00241   0.00168  -0.00074  -0.16898
   D467      -1.12428  -0.00002  -0.00200   0.00186  -0.00014  -1.12442
   D468       0.95840   0.00000  -0.00162   0.00159  -0.00004   0.95836
   D469       3.05122  -0.00001  -0.00182   0.00170  -0.00013   3.05109
   D470      -1.64724   0.00001   0.00321  -0.00221   0.00100  -1.64624
   D471       0.45715   0.00001   0.00322  -0.00220   0.00103   0.45818
   D472       2.54905   0.00001   0.00289  -0.00198   0.00091   2.54996
   D473       1.41683   0.00001   0.00263  -0.00224   0.00038   1.41721
   D474      -2.76196   0.00001   0.00264  -0.00223   0.00041  -2.76156
   D475      -0.67007   0.00001   0.00230  -0.00201   0.00029  -0.66978
   D476       0.00377   0.00000  -0.00033  -0.00033  -0.00069   0.00308
   D477      -3.10143   0.00000   0.00124  -0.00038   0.00087  -3.10055
   D478       3.12077  -0.00001  -0.00045  -0.00021  -0.00067   3.12011
   D479       0.01558  -0.00001   0.00112  -0.00026   0.00090   0.01648
   D480      -0.36021   0.00003   0.01329  -0.00081   0.01236  -0.34785
   D481       1.74698   0.00000   0.01309  -0.00028   0.01284   1.75982
   D482      -2.44903   0.00001   0.01259  -0.00065   0.01195  -2.43708
   D483       2.74667   0.00003   0.01179  -0.00075   0.01088   2.75755
   D484      -1.42933   0.00000   0.01159  -0.00023   0.01136  -1.41797
   D485       0.65784   0.00001   0.01110  -0.00060   0.01047   0.66831
   D486       0.01323  -0.00004  -0.00041   0.00009  -0.00034   0.01289
   D487       2.10460   0.00000  -0.00003   0.00005  -0.00002   2.10458
   D488      -2.09265   0.00000  -0.00023   0.00002  -0.00024  -2.09289
   D489      -3.09367  -0.00004   0.00106   0.00004   0.00112  -3.09255
   D490      -1.00230   0.00000   0.00143   0.00000   0.00145  -1.00085
   D491       1.08364   0.00000   0.00124  -0.00003   0.00123   1.08487
         Item               Value     Threshold  Converged?
 Maximum Force            0.000130     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.027590     0.001800     NO 
 RMS     Displacement     0.002615     0.001200     NO 
 Predicted change in Energy=-2.324735D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:12:52 2016, MaxMem=  2952790016 cpu:         5.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.835370   -0.609046    1.683926
      2          6           0       -2.106219    1.097417   -1.343657
      3          8           0       -2.656078    0.110322   -1.863012
      4          7           0       -0.810463    1.153491   -0.931651
      5          1           0       -2.656915    2.037968   -1.142018
      6          6           0       -0.273266    2.327427   -0.243097
      7          1           0       -1.034167    3.119784   -0.215237
      8          1           0        0.012133    2.057221    0.786585
      9          1           0        0.619404    2.696888   -0.773727
     10          6           0        0.104252    0.022015   -1.102289
     11          1           0        0.675924   -0.124153   -0.172384
     12          1           0       -0.474230   -0.884620   -1.322830
     13          1           0        0.811027    0.219310   -1.925142
     14          6           0       -1.982975   -4.027945    2.612056
     15          8           0       -2.109583   -3.882310    3.839919
     16          7           0       -2.923575   -3.720005    1.678139
     17          1           0       -1.049048   -4.416342    2.159395
     18          6           0       -4.228134   -3.167509    2.051303
     19          1           0       -4.498175   -2.375798    1.334499
     20          1           0       -5.004623   -3.950124    2.023227
     21          1           0       -4.170138   -2.744687    3.062639
     22          6           0       -2.671913   -3.895945    0.247550
     23          1           0       -3.377117   -4.629225   -0.177041
     24          1           0       -2.810327   -2.934150   -0.273452
     25          1           0       -1.641742   -4.246482    0.094179
     26          6           0        1.534436    0.379834    2.624180
     27          8           0        1.350693    1.394562    3.317792
     28          7           0        1.169094   -0.885959    2.964998
     29          1           0        2.017503    0.427380    1.628333
     30          6           0        1.485171   -2.031806    2.111824
     31          1           0        2.238227   -2.675222    2.597113
     32          1           0        0.575843   -2.630135    1.940724
     33          1           0        1.871173   -1.676540    1.146578
     34          6           0        0.530658   -1.171798    4.252417
     35          1           0        1.281572   -1.475939    5.001533
     36          1           0        0.007325   -0.273641    4.604262
     37          1           0       -0.189312   -1.992450    4.120014
     38          6           0       -4.602220    1.230009    2.896046
     39          8           0       -4.852884    1.877723    1.865674
     40          7           0       -3.504487    1.390111    3.684655
     41          1           0       -5.267346    0.419883    3.258228
     42          6           0       -2.475487    2.387486    3.378043
     43          1           0       -2.547203    2.670615    2.319711
     44          1           0       -2.602025    3.282822    4.009303
     45          1           0       -1.484185    1.952081    3.575981
     46          6           0       -3.270781    0.542606    4.854384
     47          1           0       -4.083166   -0.191347    4.946810
     48          1           0       -2.312282    0.009021    4.741191
     49          1           0       -3.224227    1.157336    5.768225
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485920   0.000000
     3  O    3.711041   1.243556   0.000000
     4  N    3.316356   1.360838   2.315585   0.000000
     5  H    3.958229   1.108404   2.058070   2.058140   0.000000
     6  C    3.844016   2.466551   3.635584   1.463152   2.563909
     7  H    4.260624   2.551979   3.795078   2.104661   2.159297
     8  H    3.365631   3.153819   4.234399   2.108489   3.292977
     9  H    4.795328   3.211254   4.313427   2.109865   3.362154
    10  C    3.453023   2.470006   2.864598   1.464943   3.419019
    11  H    3.160317   3.256445   3.743720   2.101953   4.089349
    12  H    3.311982   2.567547   2.458083   2.102373   3.652168
    13  H    4.551369   3.101536   3.469374   2.118714   3.993423
    14  C    3.545713   6.475507   6.132255   6.385917   7.165372
    15  O    3.929091   7.187987   6.983065   7.057967   7.756865
    16  N    3.295798   5.745161   5.223285   5.918379   6.417058
    17  H    3.916615   6.617441   6.265221   6.374523   7.425812
    18  C    3.522218   5.849604   5.342041   6.264945   6.305792
    19  H    3.214661   4.995717   4.449516   5.584849   5.385601
    20  H    4.617585   6.724160   6.091448   7.236655   7.168525
    21  H    3.451514   6.199756   5.891137   6.514412   6.545438
    22  C    3.683298   5.271206   4.528233   5.509294   6.094460
    23  H    4.690631   5.980853   5.081900   6.371575   6.775052
    24  H    3.191861   4.230206   3.437922   4.597989   5.049742
    25  H    3.974383   5.553410   4.882746   5.559052   6.484833
    26  C    3.635595   5.432590   6.145563   4.329092   5.873762
    27  O    4.103043   5.810994   6.674146   4.773519   6.030323
    28  N    3.277900   5.764197   6.239728   4.823057   6.328924
    29  H    3.990226   5.127062   5.842293   3.883059   5.667365
    30  C    3.637765   5.884766   6.126825   4.967776   6.656382
    31  H    4.658023   6.974001   7.183745   6.033717   7.756138
    32  H    3.156690   5.645819   5.694193   4.948557   6.461053
    33  H    3.894450   5.451216   5.722457   4.418063   6.287990
    34  C    3.537220   6.589272   7.014100   5.837820   7.040110
    35  H    4.633935   7.639420   8.071140   6.818592   8.099534
    36  H    3.469350   6.459460   7.004769   5.775104   6.742510
    37  H    3.249283   6.563042   6.804645   5.983486   7.072645
    38  C    3.536498   4.921654   5.262110   5.388371   4.554444
    39  O    3.914390   4.295678   4.674693   4.968974   3.727487
    40  N    3.284128   5.227308   5.756237   5.350144   4.943163
    41  H    3.913513   5.623978   5.756878   6.160932   5.366070
    42  C    3.501284   4.908675   5.717232   4.782103   4.537183
    43  H    3.415715   4.011195   4.905316   3.986137   3.520773
    44  H    4.598019   5.803103   6.674711   5.670694   5.299885
    45  H    3.203526   5.031920   5.860722   4.627137   4.862323
    46  C    3.665858   6.330856   6.759300   6.317005   6.210456
    47  H    3.984153   6.718572   6.964284   6.861158   6.639115
    48  H    3.155364   6.184856   6.613921   5.978830   6.232779
    49  H    4.661602   7.199473   7.723653   7.121420   6.989192
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098897   0.000000
     8  H    1.102139   1.796505   0.000000
     9  H    1.102238   1.795841   1.792351   0.000000
    10  C    2.489107   3.417459   2.778200   2.743771   0.000000
    11  H    2.629869   3.667338   2.473587   2.884975   1.101316
    12  H    3.394622   4.192319   3.652480   3.784805   1.097847
    13  H    2.906738   3.839435   3.371886   2.738772   1.102517
    14  C    7.173964   7.744924   6.658983   7.966133   5.878355
    15  O    7.655320   8.162728   7.007322   8.486398   6.676095
    16  N    6.876534   7.344211   6.541375   7.729221   5.558888
    17  H    7.200850   7.901411   6.702070   7.873054   5.627406
    18  C    7.148397   7.407340   6.846692   8.116069   6.236007
    19  H    6.516056   6.678506   6.347814   7.507754   5.733217
    20  H    8.181052   8.411827   7.923719   9.145239   7.186609
    21  H    7.199989   7.414229   6.762406   8.201716   6.578121
    22  C    6.687645   7.219199   6.552469   7.439168   4.987943
    23  H    7.617957   8.095555   7.558053   8.366609   5.883031
    24  H    5.841387   6.309378   5.831273   6.612255   4.233280
    25  H    6.723300   7.397753   6.553732   7.353667   4.764462
    26  C    3.909244   4.708220   2.916812   4.213288   4.007497
    27  O    4.023359   4.598504   2.939025   4.355613   4.793184
    28  N    4.764256   5.569042   3.840098   5.207400   4.301294
    29  H    3.515687   4.467715   2.717799   3.588209   3.358742
    30  C    5.257440   6.188792   4.543814   5.606827   4.056555
    31  H    6.277013   7.224954   5.534395   6.545435   5.051190
    32  H    5.483383   6.348375   4.860156   5.978906   4.064017
    33  H    4.749902   5.770637   4.186478   4.937749   3.326334
    34  C    5.753305   6.389545   4.765231   6.343243   5.502717
    35  H    6.662527   7.327892   5.644510   7.155738   6.394263
    36  H    5.508283   5.985617   4.472986   6.174257   5.715027
    37  H    6.140450   6.755969   5.249016   6.825878   5.605060
    38  C    5.458790   5.097287   5.140658   6.548612   6.292600
    39  O    5.061822   4.522776   4.986486   6.130530   6.068414
    40  N    5.171711   4.929849   4.605482   6.212191   6.148945
    41  H    6.390527   6.105263   6.054981   7.489675   6.930114
    42  C    4.238636   3.940219   3.607351   5.187607   5.685409
    43  H    3.443334   2.986133   3.045805   4.426900   5.074976
    44  H    4.941538   4.509046   4.326873   5.796403   6.639666
    45  H    4.023999   3.992416   3.167137   4.888741   5.304197
    46  C    6.176973   6.111083   5.442295   7.172872   6.866135
    47  H    6.913371   6.848847   6.255798   7.948623   7.360135
    48  H    5.863081   5.989708   5.023638   6.799539   6.323454
    49  H    6.798035   6.667037   6.008374   7.742148   7.718270
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795742   0.000000
    13  H    1.791196   1.798145   0.000000
    14  C    5.482922   5.257388   6.814088   0.000000
    15  O    6.162902   6.189871   7.654357   1.242934   0.000000
    16  N    5.413961   4.800470   6.515296   1.360793   2.315647
    17  H    5.180309   4.992932   6.452332   1.108140   2.057689
    18  C    6.185190   5.539689   7.257810   2.468913   2.863276
    19  H    5.840539   5.047489   6.748887   3.269247   3.775193
    20  H    7.192174   6.412322   8.172857   3.079469   3.418512
    21  H    6.388809   6.029256   7.646910   2.575550   2.478757
    22  C    5.060708   4.045242   5.812640   2.466364   3.636140
    23  H    6.059937   4.874593   6.641137   3.175568   4.277907
    24  H    4.478866   3.280110   5.078051   3.194848   4.279003
    25  H    4.736689   3.830550   5.480605   2.550275   3.792369
    26  C    2.968471   4.605700   4.609276   5.639223   5.737836
    27  O    3.865636   5.482736   5.400076   6.404295   6.331785
    28  N    3.265996   4.591948   5.026261   4.464548   4.526956
    29  H    2.312273   4.079147   3.758466   6.068069   6.363755
    30  C    3.084092   4.117297   4.671090   4.032722   4.396923
    31  H    4.076623   5.092115   5.555719   4.432677   4.680286
    32  H    3.279510   3.847111   4.808281   2.992008   3.519431
    33  H    2.361818   3.496573   3.762130   4.746703   5.288281
    34  C    4.549453   5.672359   6.338456   4.143273   3.806297
    35  H    5.381780   6.590150   7.146616   4.783263   4.317395
    36  H    4.825528   5.977928   6.597125   4.693078   4.253001
    37  H    4.760656   5.561746   6.514328   3.103934   2.708776
    38  C    6.253624   6.269838   7.319058   5.881086   5.765410
    39  O    6.223255   6.080272   7.014307   6.608357   6.678423
    40  N    5.886050   6.279472   7.173860   5.728944   5.456032
    41  H    6.883860   6.757351   7.990881   5.566669   5.368305
    42  C    5.370777   6.067118   6.604993   6.479742   6.297425
    43  H    4.940629   5.495910   5.941833   6.728635   6.741170
    44  H    6.311809   7.094133   7.500111   7.468791   7.184031
    45  H    4.798652   5.750238   6.207484   6.077718   5.873747
    46  C    6.425686   6.929332   7.920079   5.251325   4.685873
    47  H    6.989964   7.267285   8.446626   4.957959   4.329370
    48  H    5.752419   6.399170   7.364732   4.575888   3.999480
    49  H    7.221096   7.874969   8.737910   6.195906   5.509885
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056780   0.000000
    18  C    1.465052   3.417288   0.000000
    19  H    2.098653   4.091547   1.101606   0.000000
    20  H    2.121981   3.985282   1.102819   1.791463   0.000000
    21  H    2.102856   3.653968   1.097699   1.797263   1.797171
    22  C    1.463173   2.561183   2.491178   2.612956   2.932150
    23  H    2.115201   3.305171   2.797563   2.935892   2.819775
    24  H    2.106917   3.349289   2.732968   2.397101   3.334947
    25  H    2.104567   2.155286   3.418178   3.632776   3.888190
    26  C    6.130051   5.467515   6.791100   6.756417   7.865683
    27  O    6.864155   6.392750   7.317090   7.235905   8.404262
    28  N    5.141766   4.246499   5.930462   6.082441   6.956351
    29  H    6.451166   5.757379   7.218734   7.099170   8.284247
    30  C    4.740796   3.480021   5.825405   6.043426   6.767956
    31  H    5.346053   3.745567   6.508001   6.860245   7.376557
    32  H    3.674602   2.424588   4.835204   5.116431   5.735049
    33  H    5.239075   4.130376   6.343742   6.410372   7.294811
    34  C    5.005196   4.171724   5.610158   5.937426   6.582379
    35  H    5.810684   4.706964   6.474731   6.903794   7.382964
    36  H    5.387931   4.924965   5.729851   5.950626   6.730372
    37  H    4.052579   3.233949   4.687475   5.145129   5.605018
    38  C    5.366915   6.711853   4.493517   3.930788   5.268541
    39  O    5.923846   7.360075   5.087154   4.301209   5.831951
    40  N    5.520583   6.486177   4.895243   4.548924   5.790411
    41  H    5.012845   6.510802   3.925049   3.479682   4.548759
    42  C    6.355462   7.057755   5.974109   5.563830   6.956821
    43  H    6.433762   7.245353   6.081223   5.499383   7.068310
    44  H    7.387645   8.069140   6.934318   6.539873   7.876070
    45  H    6.151927   6.538568   6.005339   5.730524   7.045605
    46  C    5.327188   6.065495   4.747499   4.734255   5.586258
    47  H    4.947755   5.901367   4.154818   4.241797   4.850239
    48  H    4.864319   5.276862   4.582175   4.697982   5.505529
    49  H    6.372413   6.987199   5.790305   5.810672   6.578828
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390398   0.000000
    23  H    3.830912   1.102402   0.000000
    24  H    3.607559   1.102565   1.789923   0.000000
    25  H    4.178508   1.098932   1.797660   1.795260   0.000000
    26  C    6.518975   6.451668   7.553864   6.185121   6.155632
    27  O    6.904930   7.321012   8.417367   6.996347   7.153162
    28  N    5.654361   5.585506   6.674765   5.524349   5.237892
    29  H    7.099728   6.525973   7.611213   6.182606   6.130962
    30  C    5.778821   4.922589   5.968864   4.995505   4.330504
    31  H    6.425626   5.578538   6.560956   5.813354   4.877263
    32  H    4.878130   3.875182   4.909907   4.057234   3.307566
    33  H    6.427259   5.135527   6.165620   5.051189   4.478026
    34  C    5.097747   5.806582   6.844312   5.895045   5.609273
    35  H    5.923696   6.639792   7.646191   6.833410   6.348527
    36  H    5.092531   6.267404   7.299755   6.229733   6.232475
    37  H    4.186989   4.978211   5.964845   5.201833   4.837103
    38  C    4.001582   6.084079   6.728697   5.531439   6.826920
    39  O    4.823437   6.380454   6.977890   5.648187   7.138313
    40  N    4.233975   6.359973   7.152714   5.903194   6.937760
    41  H    3.355089   5.867437   6.392771   5.455203   6.703071
    42  C    5.413919   7.022825   7.917436   6.462611   7.449055
    43  H    5.701873   6.886880   7.759523   6.181191   7.322505
    44  H    6.299684   8.104959   8.984806   7.552226   8.540536
    45  H    5.434840   6.832903   7.809094   6.360192   7.111255
    46  C    3.850388   6.425130   7.216258   6.212451   6.946127
    47  H    3.174462   6.148067   6.815211   6.032762   6.778841
    48  H    3.721837   5.964135   6.843698   5.835833   6.336690
    49  H    4.841563   7.504569   8.297822   7.308449   7.993767
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242792   0.000000
    28  N    1.360832   2.314782   0.000000
    29  H    1.107848   2.057753   2.057020   0.000000
    30  C    2.465957   3.634892   1.463139   2.562174   0.000000
    31  H    3.135191   4.227320   2.116565   3.257821   1.102988
    32  H    3.232015   4.323759   2.107898   3.394756   1.101885
    33  H    2.554481   3.796938   2.103470   2.163326   1.098595
    34  C    2.462983   2.851699   1.465180   3.413781   2.496568
    35  H    3.026490   3.328594   2.123253   3.942423   2.949723
    36  H    2.584535   2.498508   2.100435   3.659017   3.389311
    37  H    3.291892   3.806182   2.098488   4.115105   2.615009
    38  C    6.201230   5.970102   6.147369   6.787639   6.950595
    39  O    6.604306   6.389559   6.716448   7.025813   7.450903
    40  N    5.247477   4.869023   5.247930   5.970569   6.251400
    41  H    6.831388   6.689693   6.574114   7.464962   7.274718
    42  C    4.547357   3.953376   4.916200   5.204850   6.067971
    43  H    4.690432   4.221146   5.184253   5.132899   6.198066
    44  H    5.239867   4.434827   5.717573   5.929806   6.967845
    45  H    3.534114   2.900694   3.932895   4.287175   5.179980
    46  C    5.300039   4.944185   5.032203   6.195695   6.063689
    47  H    6.105596   5.890300   5.656527   6.972323   6.513894
    48  H    4.406413   4.166915   4.009468   5.349014   5.049673
    49  H    5.756249   5.195267   5.597715   6.719173   6.761534
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787847   0.000000
    33  H    1.798930   1.793848   0.000000
    34  C    2.813558   2.733626   3.420231   0.000000
    35  H    2.852140   3.346457   3.904939   1.103426   0.000000
    36  H    3.843587   3.601488   4.171047   1.097433   1.796399
    37  H    2.945904   2.396124   3.631352   1.099707   1.790910
    38  C    7.882379   6.528835   7.308452   5.827079   6.809864
    39  O    8.458615   7.056734   7.639556   6.631640   7.662390
    40  N    7.119582   5.987718   6.689088   4.813328   5.731909
    41  H    8.145574   6.721703   7.733855   6.094154   7.037158
    42  C    6.961319   6.045910   6.355249   4.740247   5.628256
    43  H    7.180200   6.164009   6.308410   5.288924   6.248648
    44  H    7.805165   7.024309   7.266358   5.451279   6.221949
    45  H    6.018843   5.283416   5.507025   3.778330   4.629572
    46  C    6.767486   5.775138   6.716556   4.213370   4.981978
    47  H    7.186844   6.057277   7.218152   4.767687   5.516665
    48  H    5.701698   4.811344   5.767465   3.116976   3.897265
    49  H    7.388021   6.590542   7.439999   4.671370   5.274863
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796515   0.000000
    38  C    5.140708   5.599652   0.000000
    39  O    5.979119   6.466003   1.242591   0.000000
    40  N    3.993316   4.756222   1.361085   2.316167   0.000000
    41  H    5.487709   5.687571   1.108997   2.058224   2.056904
    42  C    3.840516   4.996094   2.468819   2.863413   1.465473
    43  H    4.518123   5.526746   2.574996   2.480120   2.102179
    44  H    4.450967   5.801890   3.074762   3.411131   2.121837
    45  H    2.869809   4.187122   3.271978   3.778731   2.099819
    46  C    3.387448   4.057248   2.465834   3.635653   1.463266
    47  H    4.105634   4.369172   2.548588   3.790372   2.104498
    48  H    2.340775   2.983077   3.184209   4.267939   2.108324
    49  H    3.720946   4.674234   3.186465   4.289684   2.115182
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417645   0.000000
    43  H    3.653189   1.097894   0.000000
    44  H    3.983023   1.102782   1.797922   0.000000
    45  H    4.094009   1.100653   1.795693   1.791146   0.000000
    46  C    2.559111   2.493121   3.387706   2.944516   2.610145
    47  H    2.151091   3.419948   4.177518   3.891343   3.637053
    48  H    3.331725   2.746252   3.605944   3.367103   2.412248
    49  H    3.319377   2.790493   3.826307   2.828185   2.909518
                   46         47         48         49
    46  C    0.000000
    47  H    1.098727   0.000000
    48  H    1.102835   1.794006   0.000000
    49  H    1.102346   1.797623   1.790271   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2141184      0.1936807      0.1842787
 Leave Link  202 at Mon Nov 14 02:12:52 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1000575649 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839841092 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9160734557 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4028
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.40D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     213
 GePol: Fraction of low-weight points (<1% of avg)   =       5.29%
 GePol: Cavity surface area                          =    467.029 Ang**2
 GePol: Cavity volume                                =    457.853 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040121523 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9120613034 Hartrees.
 Leave Link  301 at Mon Nov 14 02:12:52 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37500.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:12:53 2016, MaxMem=  2952790016 cpu:        15.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:12:54 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000322   -0.001807   -0.000157
         Rot=    1.000000    0.000074   -0.000003    0.000116 Ang=   0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50889937587    
 Leave Link  401 at Mon Nov 14 02:13:00 2016, MaxMem=  2952790016 cpu:        78.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48674352.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   3488.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.01D-15 for   2442    179.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.08D-14 for   3152.
 Iteration    1 A^-1*A deviation from orthogonality  is 8.01D-10 for   1433   1418.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.18D-14 for    302.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.65D-14 for   2008    641.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.44D-15 for   1936.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.64D-16 for   2425    149.
 E= -1013.45122788089    
 DIIS: error= 1.66D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45122788089     IErMin= 1 ErrMin= 1.66D-04
 ErrMax= 1.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.61D-05 BMatP= 3.61D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.66D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.50D-05 MaxDP=1.35D-03              OVMax= 1.77D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.50D-05    CP:  1.00D+00
 E= -1013.45128940662     Delta-E=       -0.000061525733 Rises=F Damp=F
 DIIS: error= 2.72D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128940662     IErMin= 2 ErrMin= 2.72D-05
 ErrMax= 2.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.75D-07 BMatP= 3.61D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.196D-01 0.980D+00
 Coeff:      0.196D-01 0.980D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.35D-06 MaxDP=3.38D-04 DE=-6.15D-05 OVMax= 5.76D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.29D-06    CP:  1.00D+00  9.80D-01
 E= -1013.45128765219     Delta-E=        0.000001754429 Rises=F Damp=F
 DIIS: error= 8.45D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128940662     IErMin= 2 ErrMin= 2.72D-05
 ErrMax= 8.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-06 BMatP= 5.75D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.242D-02 0.697D+00 0.301D+00
 Coeff:      0.242D-02 0.697D+00 0.301D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.70D-06 MaxDP=3.05D-04 DE= 1.75D-06 OVMax= 5.23D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.12D-06    CP:  1.00D+00  9.89D-01  3.39D-01
 E= -1013.45128981034     Delta-E=       -0.000002158148 Rises=F Damp=F
 DIIS: error= 1.85D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128981034     IErMin= 4 ErrMin= 1.85D-05
 ErrMax= 1.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-07 BMatP= 5.75D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.634D-04 0.284D+00 0.196D+00 0.519D+00
 Coeff:     -0.634D-04 0.284D+00 0.196D+00 0.519D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.07D-06 MaxDP=5.38D-05 DE=-2.16D-06 OVMax= 1.08D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.44D-07    CP:  1.00D+00  9.89D-01  3.83D-01  5.86D-01
 E= -1013.45128990841     Delta-E=       -0.000000098069 Rises=F Damp=F
 DIIS: error= 6.15D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128990841     IErMin= 5 ErrMin= 6.15D-06
 ErrMax= 6.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-08 BMatP= 1.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.340D-04 0.151D+00 0.115D+00 0.352D+00 0.381D+00
 Coeff:     -0.340D-04 0.151D+00 0.115D+00 0.352D+00 0.381D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.82D-07 MaxDP=2.15D-05 DE=-9.81D-08 OVMax= 2.40D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.77D-07    CP:  1.00D+00  9.90D-01  3.79D-01  6.03D-01  6.07D-01
 E= -1013.45128992078     Delta-E=       -0.000000012368 Rises=F Damp=F
 DIIS: error= 3.81D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128992078     IErMin= 6 ErrMin= 3.81D-07
 ErrMax= 3.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-10 BMatP= 1.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.196D-04 0.468D-01 0.368D-01 0.117D+00 0.153D+00 0.647D+00
 Coeff:     -0.196D-04 0.468D-01 0.368D-01 0.117D+00 0.153D+00 0.647D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.22D-08 MaxDP=1.87D-06 DE=-1.24D-08 OVMax= 2.70D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.77D-08    CP:  1.00D+00  9.90D-01  3.80D-01  6.05D-01  6.06D-01
                    CP:  9.09D-01
 E= -1013.45128992096     Delta-E=       -0.000000000180 Rises=F Damp=F
 DIIS: error= 2.18D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45128992096     IErMin= 7 ErrMin= 2.18D-07
 ErrMax= 2.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-11 BMatP= 1.18D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-04 0.110D-01 0.904D-02 0.301D-01 0.465D-01 0.362D+00
 Coeff-Com:  0.542D+00
 Coeff:     -0.122D-04 0.110D-01 0.904D-02 0.301D-01 0.465D-01 0.362D+00
 Coeff:      0.542D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.48D-08 MaxDP=8.91D-07 DE=-1.80D-10 OVMax= 8.23D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.33D-09    CP:  1.00D+00  9.90D-01  3.80D-01  6.07D-01  6.09D-01
                    CP:  9.17D-01  7.20D-01
 E= -1013.45128992092     Delta-E=        0.000000000032 Rises=F Damp=F
 DIIS: error= 2.13D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45128992096     IErMin= 8 ErrMin= 2.13D-08
 ErrMax= 2.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.39D-13 BMatP= 2.61D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.355D-05 0.152D-02 0.139D-02 0.466D-02 0.899D-02 0.994D-01
 Coeff-Com:  0.208D+00 0.676D+00
 Coeff:     -0.355D-05 0.152D-02 0.139D-02 0.466D-02 0.899D-02 0.994D-01
 Coeff:      0.208D+00 0.676D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.86D-09 MaxDP=2.39D-07 DE= 3.23D-11 OVMax= 3.61D-07

 Error on total polarization charges =  0.04309
 SCF Done:  E(RB97D) =  -1013.45128992     A.U. after    8 cycles
            NFock=  8  Conv=0.39D-08     -V/T= 2.0213
 KE= 9.923494220207D+02 PE=-6.027342541384D+03 EE= 2.173629768139D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:14:43 2016, MaxMem=  2952790016 cpu:      1177.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37500.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 02:14:51 2016, MaxMem=  2952790016 cpu:        96.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:14:52 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:15:28 2016, MaxMem=  2952790016 cpu:       440.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21856572D+00-2.68973953D+00 3.27073985D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000058445    0.000011148   -0.000090062
      2        6           0.000052127   -0.000089893    0.000000338
      3        8           0.000038010    0.000073703   -0.000116393
      4        7          -0.000064163   -0.000023008    0.000014847
      5        1           0.000005575    0.000009930    0.000083826
      6        6           0.000034882    0.000115523    0.000156384
      7        1           0.000034278    0.000023375    0.000013968
      8        1           0.000040434    0.000018663   -0.000016928
      9        1           0.000018186   -0.000036163    0.000001663
     10        6           0.000042754    0.000031239    0.000027525
     11        1           0.000017773    0.000064020    0.000047424
     12        1           0.000030881    0.000022522   -0.000011457
     13        1           0.000031663    0.000023955    0.000018913
     14        6          -0.000023233   -0.000012660   -0.000013156
     15        8          -0.000006406   -0.000021661   -0.000014479
     16        7          -0.000031631   -0.000023046   -0.000039976
     17        1           0.000009393    0.000028942   -0.000033103
     18        6          -0.000029368    0.000003671   -0.000028958
     19        1           0.000005362    0.000000659   -0.000035572
     20        1           0.000002775   -0.000002017   -0.000052283
     21        1           0.000005881   -0.000003446   -0.000046264
     22        6          -0.000001893    0.000023668   -0.000028408
     23        1           0.000025652    0.000010652   -0.000049607
     24        1           0.000028114    0.000006678   -0.000019973
     25        1           0.000016285    0.000011024   -0.000028803
     26        6          -0.000004928    0.000051865    0.000051431
     27        8           0.000013194    0.000005343    0.000053407
     28        7          -0.000012794   -0.000040875    0.000025415
     29        1          -0.000017887    0.000004639    0.000026606
     30        6          -0.000008560    0.000003690    0.000037172
     31        1           0.000012454   -0.000005327   -0.000016987
     32        1          -0.000009080   -0.000016848   -0.000037026
     33        1          -0.000006228    0.000010101    0.000015510
     34        6          -0.000022435   -0.000006713    0.000014593
     35        1          -0.000021506   -0.000015700    0.000011232
     36        1          -0.000022591   -0.000016483    0.000001886
     37        1          -0.000011855   -0.000023255    0.000005448
     38        6          -0.000059042   -0.000025303    0.000004703
     39        8           0.000009475   -0.000009514   -0.000031618
     40        7          -0.000047001    0.000053918    0.000090857
     41        1           0.000003254   -0.000048341   -0.000007538
     42        6          -0.000131401   -0.000136861    0.000120758
     43        1          -0.000037234   -0.000009124    0.000016802
     44        1           0.000041943    0.000038195   -0.000060889
     45        1           0.000022670   -0.000024568   -0.000003966
     46        6           0.000063655   -0.000033094   -0.000086981
     47        1          -0.000019580   -0.000013287    0.000001473
     48        1          -0.000045501    0.000024290    0.000030251
     49        1          -0.000030795   -0.000034228   -0.000002007
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000156384 RMS     0.000041633
 Leave Link  716 at Mon Nov 14 02:15:29 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000091443 RMS     0.000009879
 Search for a local minimum.
 Step number  45 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .98788D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   35   36   37   38   39
                                                     40   41   42   43   44
                                                     45
 DE= -1.09D-06 DEPred=-2.32D-06 R= 4.70D-01
 Trust test= 4.70D-01 RLast= 8.24D-02 DXMaxT set to 1.33D+00
 ITU=  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  0
     Eigenvalues ---    0.00001   0.00053   0.00106   0.00125   0.00199
     Eigenvalues ---    0.00204   0.00359   0.00373   0.00426   0.00463
     Eigenvalues ---    0.00598   0.00656   0.00704   0.00743   0.00828
     Eigenvalues ---    0.00834   0.00953   0.01028   0.01053   0.01079
     Eigenvalues ---    0.01137   0.01233   0.01249   0.01342   0.01405
     Eigenvalues ---    0.01436   0.01559   0.01657   0.01678   0.01728
     Eigenvalues ---    0.01794   0.01811   0.01881   0.01932   0.01961
     Eigenvalues ---    0.02049   0.02132   0.02235   0.02291   0.02396
     Eigenvalues ---    0.02531   0.02618   0.02781   0.03093   0.03173
     Eigenvalues ---    0.03839   0.03913   0.04378   0.04518   0.04790
     Eigenvalues ---    0.04873   0.05527   0.05895   0.06058   0.06282
     Eigenvalues ---    0.06439   0.06562   0.06964   0.07045   0.07088
     Eigenvalues ---    0.07435   0.07529   0.07985   0.08010   0.08151
     Eigenvalues ---    0.08170   0.08346   0.08371   0.08624   0.08741
     Eigenvalues ---    0.08782   0.08877   0.09017   0.09387   0.09550
     Eigenvalues ---    0.09633   0.09841   0.09906   0.10229   0.10387
     Eigenvalues ---    0.10470   0.10517   0.10605   0.11067   0.11237
     Eigenvalues ---    0.11350   0.11470   0.12053   0.13015   0.13356
     Eigenvalues ---    0.13521   0.14048   0.15179   0.15195   0.15249
     Eigenvalues ---    0.15605   0.18285   0.21932   0.23210   0.23348
     Eigenvalues ---    0.24009   0.24799   0.25405   0.25955   0.26980
     Eigenvalues ---    0.27607   0.28563   0.28889   0.29287   0.29827
     Eigenvalues ---    0.30505   0.31990   0.32720   0.32821   0.32826
     Eigenvalues ---    0.33139   0.33322   0.33351   0.33376   0.33391
     Eigenvalues ---    0.33417   0.33429   0.33512   0.33607   0.33695
     Eigenvalues ---    0.33795   0.33824   0.33894   0.33918   0.33937
     Eigenvalues ---    0.34007   0.34146   0.34346   0.37425   0.39842
     Eigenvalues ---    0.41331   0.42540   0.85978   0.86069   0.86291
     Eigenvalues ---    0.87511
 Eigenvalue     1 is   7.52D-06 Eigenvector:
                         D381      D373      D375      D383      D399
   1                   -0.18792  -0.18278  -0.17938  -0.17931  -0.17921
                         D397      D371      D369      D379      D395
   1                   -0.17789  -0.17470  -0.17431  -0.16958  -0.16849
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    45   44   43   42   41
 RFO step:  Lambda=-2.63661730D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  9.70D-07 SmlDif=  1.00D-05
 RMS Error=  0.7745312372D-04 NUsed= 5 EDIIS=F
 Point number   3 has GDIIS coefficient -1.05D+01 and has been removed
 DidBck=F Rises=F RFO-DIIS coefs:    1.79797    0.63308    0.00000   -2.55367    1.12261
 Iteration  1 RMS(Cart)=  0.00826026 RMS(Int)=  0.00165764
 Iteration  2 RMS(Cart)=  0.00202519 RMS(Int)=  0.00008424
 Iteration  3 RMS(Cart)=  0.00000967 RMS(Int)=  0.00007956
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00007956
 ITry= 1 IFail=0 DXMaxC= 9.96D-02 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58743   0.00003  -0.00138  -0.00003  -0.00141   6.58602
    R2        6.26700  -0.00001  -0.00105  -0.00033  -0.00138   6.26562
    R3        7.26414  -0.00002  -0.00162   0.00435   0.00270   7.26684
    R4        6.36012   0.00001  -0.00447   0.00585   0.00139   6.36151
    R5        6.52527   0.00003  -0.00101  -0.00133  -0.00234   6.52293
    R6        5.97213  -0.00001  -0.00109   0.00206   0.00098   5.97311
    R7        6.70043   0.00000   0.00005  -0.00091  -0.00086   6.69957
    R8        6.22816   0.00001   0.00060   0.00054   0.00115   6.22931
    R9        6.65603   0.00001  -0.00080   0.00006  -0.00073   6.65529
   R10        6.07483   0.00000  -0.00174  -0.00090  -0.00264   6.07219
   R11        6.96042   0.00000   0.00206   0.00097   0.00305   6.96347
   R12        6.03174   0.00000   0.00180   0.00105   0.00284   6.03458
   R13        6.87028   0.00001  -0.00111  -0.00188  -0.00300   6.86728
   R14        6.19433   0.00000   0.00309   0.00211   0.00516   6.19950
   R15        6.87438  -0.00001   0.00515   0.00378   0.00887   6.88325
   R16        5.96528   0.00000  -0.00056  -0.00003  -0.00057   5.96471
   R17        6.68438   0.00001   0.00308   0.00229   0.00535   6.68973
   R18        6.68301   0.00000   0.00701   0.00156   0.00847   6.69149
   R19        6.20610   0.00002  -0.00336  -0.00196  -0.00554   6.20056
   R20        6.61647  -0.00001  -0.01018  -0.00707  -0.01734   6.59913
   R21        6.05379  -0.00001   0.01924   0.01521   0.03483   6.08862
   R22        6.92747  -0.00001   0.00202   0.00317   0.00500   6.93247
   R23        5.96277   0.00002  -0.00027   0.00164   0.00135   5.96412
   R24        2.34998   0.00000  -0.00001  -0.00001  -0.00002   2.34996
   R25        2.57161  -0.00002   0.00028   0.00012   0.00040   2.57201
   R26        2.09458   0.00001  -0.00002  -0.00003  -0.00005   2.09454
   R27        2.76496   0.00005   0.00008   0.00004   0.00011   2.76507
   R28        2.76834   0.00000   0.00019   0.00012   0.00029   2.76863
   R29        2.07661  -0.00001   0.00000   0.00001   0.00000   2.07662
   R30        2.08274  -0.00004   0.00020   0.00017   0.00039   2.08313
   R31        2.08293   0.00000  -0.00003   0.00002  -0.00001   2.08292
   R32        2.08119   0.00001  -0.00001  -0.00004  -0.00005   2.08113
   R33        2.07463   0.00000   0.00000   0.00002   0.00002   2.07465
   R34        2.08345   0.00000  -0.00002   0.00000  -0.00003   2.08343
   R35        2.34881   0.00001   0.00002   0.00001   0.00003   2.34883
   R36        2.57153   0.00001  -0.00009  -0.00004  -0.00013   2.57139
   R37        2.09408   0.00000   0.00000   0.00001   0.00001   2.09410
   R38        2.76855   0.00000   0.00002   0.00001   0.00002   2.76857
   R39        2.76500   0.00000  -0.00010  -0.00007  -0.00019   2.76481
   R40        2.08173  -0.00001   0.00000   0.00002   0.00001   2.08174
   R41        2.08403   0.00000   0.00000   0.00001   0.00001   2.08403
   R42        2.07435  -0.00001  -0.00003  -0.00003  -0.00006   2.07429
   R43        2.08324   0.00000   0.00000  -0.00001   0.00000   2.08323
   R44        2.08355  -0.00001  -0.00003   0.00000  -0.00009   2.08346
   R45        2.07668   0.00000  -0.00004  -0.00003  -0.00006   2.07662
   R46        2.34854   0.00002   0.00002   0.00002   0.00004   2.34858
   R47        2.57160   0.00004  -0.00008  -0.00008  -0.00011   2.57149
   R48        2.09353   0.00000  -0.00003  -0.00002  -0.00005   2.09348
   R49        2.76493   0.00001  -0.00022  -0.00022  -0.00035   2.76459
   R50        2.76879   0.00000  -0.00019  -0.00015  -0.00033   2.76846
   R51        2.08435   0.00000  -0.00001  -0.00001  -0.00003   2.08432
   R52        2.08226   0.00001   0.00009   0.00003   0.00022   2.08249
   R53        2.07604   0.00000   0.00002   0.00003   0.00005   2.07609
   R54        2.08517   0.00000   0.00006   0.00004   0.00010   2.08527
   R55        2.07385   0.00000  -0.00017  -0.00011  -0.00028   2.07357
   R56        2.07815   0.00000   0.00004   0.00003   0.00007   2.07821
   R57        2.34816   0.00002  -0.00006  -0.00009  -0.00015   2.34801
   R58        2.57208   0.00001  -0.00022  -0.00026  -0.00033   2.57175
   R59        2.09570   0.00002   0.00000   0.00002   0.00002   2.09572
   R60        2.76934  -0.00003   0.00071   0.00035   0.00123   2.77058
   R61        2.76517  -0.00004   0.00017   0.00021   0.00046   2.76563
   R62        2.07472   0.00000   0.00027   0.00020   0.00047   2.07519
   R63        2.08396  -0.00001  -0.00007  -0.00003  -0.00010   2.08385
   R64        2.07993   0.00003  -0.00050  -0.00043  -0.00067   2.07926
   R65        2.07629  -0.00001  -0.00015  -0.00013  -0.00028   2.07601
   R66        2.08406  -0.00004   0.00023   0.00019   0.00043   2.08449
   R67        2.08313   0.00000   0.00003  -0.00001   0.00002   2.08315
    A1        0.67968   0.00001   0.00013  -0.00031  -0.00017   0.67951
    A2        0.95609   0.00001   0.00001  -0.00043  -0.00042   0.95566
    A3        0.72783   0.00000   0.00016   0.00007   0.00023   0.72806
    A4        1.01982  -0.00001   0.00033   0.00009   0.00042   1.02024
    A5        2.34079  -0.00001   0.00071   0.00128   0.00200   2.34279
    A6        2.02072  -0.00001   0.00168   0.00203   0.00372   2.02444
    A7        1.97511  -0.00001   0.00286   0.00285   0.00573   1.98084
    A8        1.68130   0.00000   0.00307   0.00303   0.00612   1.68741
    A9        1.65139  -0.00001   0.00123   0.00162   0.00288   1.65427
   A10        1.36970  -0.00001   0.00152   0.00185   0.00341   1.37311
   A11        1.73502   0.00000  -0.00140  -0.00131  -0.00272   1.73230
   A12        2.03981   0.00000  -0.00118  -0.00096  -0.00213   2.03768
   A13        1.94394  -0.00001  -0.00055  -0.00028  -0.00082   1.94312
   A14        2.03022  -0.00001  -0.00170  -0.00091  -0.00262   2.02760
   A15        2.43490   0.00000  -0.00145  -0.00127  -0.00272   2.43218
   A16        1.55312   0.00001   0.00857   0.00556   0.01415   1.56727
   A17        1.76362   0.00001   0.00590   0.00322   0.00914   1.77276
   A18        1.55787   0.00001   0.00147  -0.00027   0.00126   1.55913
   A19        1.70128   0.00001   0.00267   0.00064   0.00325   1.70453
   A20        2.17358   0.00001   0.00571   0.00297   0.00865   2.18222
   A21        2.39482   0.00000   0.00426   0.00164   0.00586   2.40068
   A22        0.64191   0.00001   0.00051  -0.00019   0.00032   0.64222
   A23        0.65936   0.00000   0.00030   0.00003   0.00033   0.65969
   A24        2.39172   0.00000  -0.00056   0.00018  -0.00038   2.39133
   A25        2.21720   0.00000   0.00119   0.00165   0.00285   2.22005
   A26        2.31618  -0.00001   0.00277   0.00279   0.00557   2.32175
   A27        2.05144  -0.00001   0.00319   0.00310   0.00630   2.05775
   A28        1.80997   0.00000   0.00127   0.00166   0.00295   1.81292
   A29        1.56869   0.00000   0.00182   0.00216   0.00402   1.57270
   A30        1.34176   0.00000  -0.00149  -0.00122  -0.00272   1.33904
   A31        1.64072   0.00000  -0.00132  -0.00102  -0.00234   1.63838
   A32        1.58933   0.00000  -0.00085  -0.00066  -0.00149   1.58784
   A33        1.73998   0.00000  -0.00210  -0.00150  -0.00359   1.73638
   A34        2.03815   0.00000  -0.00156  -0.00121  -0.00276   2.03539
   A35        1.80877   0.00001   0.01013   0.00723   0.01739   1.82616
   A36        1.89023   0.00001   0.00731   0.00480   0.01214   1.90236
   A37        1.55406   0.00001   0.00381   0.00213   0.00601   1.56007
   A38        1.57784   0.00000   0.00457   0.00272   0.00726   1.58510
   A39        2.26030   0.00000   0.00516   0.00297   0.00809   2.26839
   A40        2.35573   0.00000   0.00252   0.00089   0.00336   2.35908
   A41        0.68823   0.00000   0.00031  -0.00018   0.00013   0.68836
   A42        0.74575  -0.00001   0.00062  -0.00020   0.00042   0.74616
   A43        2.65670   0.00000  -0.00138  -0.00102  -0.00240   2.65430
   A44        2.59512   0.00001   0.00116   0.00114   0.00230   2.59742
   A45        2.65352   0.00000   0.00300   0.00256   0.00557   2.65909
   A46        2.34894   0.00001   0.00309   0.00267   0.00578   2.35472
   A47        2.18768   0.00000   0.00139   0.00128   0.00269   2.19037
   A48        1.95322   0.00001   0.00195   0.00179   0.00378   1.95700
   A49        1.09865  -0.00001  -0.00153  -0.00141  -0.00295   1.09570
   A50        1.45854  -0.00001  -0.00136  -0.00129  -0.00265   1.45589
   A51        1.55760  -0.00001  -0.00099  -0.00125  -0.00222   1.55538
   A52        1.79207  -0.00001  -0.00209  -0.00207  -0.00414   1.78793
   A53        1.78618  -0.00001  -0.00158  -0.00129  -0.00288   1.78331
   A54        1.66343   0.00001   0.01046   0.00841   0.01890   1.68234
   A55        1.61773   0.00000   0.00743   0.00573   0.01318   1.63091
   A56        1.22714   0.00000   0.00462   0.00357   0.00827   1.23541
   A57        1.20339  -0.00001   0.00478   0.00352   0.00830   1.21169
   A58        1.93124  -0.00001   0.00426   0.00304   0.00725   1.93850
   A59        1.97959  -0.00001   0.00197   0.00108   0.00301   1.98261
   A60        0.83893   0.00000   0.00146   0.00039   0.00184   0.84078
   A61        0.77509  -0.00001   0.00213   0.00048   0.00261   0.77770
   A62        2.59927   0.00000  -0.00068  -0.00092  -0.00160   2.59767
   A63        2.76129   0.00000   0.00162   0.00108   0.00270   2.76399
   A64        2.60824   0.00000   0.00224   0.00208   0.00430   2.61254
   A65        2.38568   0.00000   0.00243   0.00176   0.00421   2.38989
   A66        2.19106   0.00000   0.00282   0.00226   0.00510   2.19616
   A67        0.85618  -0.00001  -0.00066  -0.00107  -0.00172   0.85446
   A68        1.23236   0.00000  -0.00040  -0.00089  -0.00129   1.23107
   A69        1.41024  -0.00001   0.00026  -0.00078  -0.00049   1.40975
   A70        1.68062  -0.00001  -0.00058  -0.00144  -0.00199   1.67864
   A71        1.52324  -0.00001  -0.00105  -0.00102  -0.00207   1.52117
   A72        1.67990   0.00001   0.00836   0.00762   0.01602   1.69592
   A73        1.52996   0.00001   0.00571   0.00519   0.01092   1.54088
   A74        1.10556   0.00001   0.00418   0.00404   0.00829   1.11385
   A75        1.00504   0.00000   0.00438   0.00389   0.00826   1.01330
   A76        1.76874   0.00000   0.00208   0.00200   0.00406   1.77280
   A77        1.75801  -0.00001   0.00034   0.00033   0.00067   1.75868
   A78        1.99415   0.00000  -0.00116  -0.00039  -0.00154   1.99260
   A79        1.93538   0.00000   0.00037   0.00093   0.00131   1.93669
   A80        2.21243   0.00000   0.00166   0.00191   0.00357   2.21600
   A81        2.06920   0.00000   0.00262   0.00268   0.00531   2.07450
   A82        1.54679   0.00000   0.00098   0.00138   0.00238   1.54917
   A83        1.37952   0.00000   0.00172   0.00209   0.00384   1.38336
   A84        1.20073   0.00000  -0.00109  -0.00043  -0.00153   1.19920
   A85        1.38567   0.00000  -0.00104  -0.00041  -0.00145   1.38422
   A86        1.21712  -0.00001  -0.00067  -0.00026  -0.00092   1.21621
   A87        1.32182  -0.00001  -0.00207  -0.00135  -0.00341   1.31841
   A88        1.81240   0.00000  -0.00128  -0.00059  -0.00186   1.81054
   A89        2.24080   0.00001   0.01004   0.00708   0.01713   2.25793
   A90        2.29937   0.00000   0.00769   0.00537   0.01308   2.31245
   A91        1.91421   0.00000   0.00509   0.00358   0.00873   1.92295
   A92        1.84302   0.00000   0.00588   0.00440   0.01027   1.85329
   A93        2.60682  -0.00001   0.00382   0.00252   0.00626   2.61308
   A94        2.55153  -0.00001  -0.00016  -0.00016  -0.00039   2.55114
   A95        1.91217   0.00001  -0.00211  -0.00089  -0.00300   1.90916
   A96        1.98905   0.00001  -0.00065   0.00048  -0.00017   1.98888
   A97        2.36390   0.00001   0.00033   0.00123   0.00155   2.36545
   A98        2.31678   0.00001   0.00189   0.00245   0.00434   2.32112
   A99        1.65925   0.00001   0.00044   0.00132   0.00176   1.66101
   A100       1.56508   0.00001   0.00134   0.00216   0.00351   1.56859
   A101       0.89392   0.00000  -0.00089  -0.00039  -0.00128   0.89264
   A102       1.06349   0.00000  -0.00113  -0.00056  -0.00169   1.06181
   A103       0.93199   0.00000  -0.00106  -0.00060  -0.00164   0.93034
   A104       1.09172   0.00000  -0.00254  -0.00171  -0.00423   1.08749
   A105       1.49011   0.00000  -0.00136  -0.00073  -0.00208   1.48803
   A106       2.40868   0.00000   0.01108   0.00817   0.01929   2.42797
   A107       2.30272  -0.00001   0.00766   0.00561   0.01328   2.31600
   A108       1.87357   0.00000   0.00649   0.00482   0.01138   1.88495
   A109       1.70837  -0.00001   0.00663   0.00510   0.01173   1.72011
   A110       2.45113  -0.00001   0.00145   0.00106   0.00243   2.45355
   A111       2.29051  -0.00001  -0.00141  -0.00092  -0.00236   2.28815
   A112       0.71364   0.00000   0.00005   0.00007   0.00012   0.71377
   A113       1.00515   0.00000   0.00008   0.00009   0.00016   1.00531
   A114       0.69534   0.00000  -0.00015  -0.00004  -0.00020   0.69514
   A115       0.98293   0.00000  -0.00025  -0.00008  -0.00035   0.98258
   A116       1.80612   0.00001  -0.00087  -0.00013  -0.00100   1.80512
   A117       1.42467   0.00000  -0.00094  -0.00027  -0.00122   1.42346
   A118       1.19188   0.00001  -0.00107  -0.00020  -0.00129   1.19059
   A119       0.91870   0.00001  -0.00007   0.00054   0.00043   0.91914
   A120       1.24967   0.00000  -0.00057  -0.00022  -0.00080   1.24887
   A121       1.95966  -0.00001  -0.00882  -0.00727  -0.01613   1.94353
   A122       1.98924  -0.00001  -0.00655  -0.00496  -0.01154   1.97770
   A123       2.33362  -0.00001  -0.00308  -0.00208  -0.00524   2.32838
   A124       2.24061   0.00000  -0.00347  -0.00202  -0.00546   2.23516
   A125       1.63107   0.00000  -0.00466  -0.00319  -0.00785   1.62322
   A126       1.49969   0.00000  -0.00352  -0.00202  -0.00554   1.49415
   A127       0.65597   0.00000   0.00008   0.00005   0.00013   0.65610
   A128       0.66076   0.00000  -0.00019  -0.00014  -0.00035   0.66042
   A129       2.16910   0.00001  -0.00053   0.00038  -0.00015   2.16895
   A130       1.79628   0.00001  -0.00063   0.00016  -0.00048   1.79580
   A131       1.50316   0.00001  -0.00038   0.00059   0.00018   1.50335
   A132       1.21109   0.00000   0.00030   0.00109   0.00136   1.21245
   A133       1.64282   0.00001  -0.00064  -0.00024  -0.00090   1.64192
   A134       1.80610  -0.00001  -0.00854  -0.00775  -0.01636   1.78973
   A135       1.99090  -0.00001  -0.00716  -0.00616  -0.01335   1.97754
   A136       2.41633  -0.00001  -0.00580  -0.00512  -0.01099   2.40534
   A137       2.48466   0.00000  -0.00595  -0.00467  -0.01062   2.47404
   A138       1.74038   0.00000  -0.00443  -0.00359  -0.00803   1.73234
   A139       1.70792   0.00001  -0.00330  -0.00233  -0.00563   1.70228
   A140       0.70468   0.00000  -0.00013  -0.00010  -0.00023   0.70444
   A141       0.83299   0.00000  -0.00010  -0.00021  -0.00032   0.83267
   A142       2.49854   0.00001  -0.00124  -0.00064  -0.00189   2.49665
   A143       2.11828   0.00000  -0.00130  -0.00069  -0.00200   2.11628
   A144       1.90047   0.00001  -0.00078   0.00013  -0.00069   1.89978
   A145       1.61616   0.00000   0.00018   0.00088   0.00102   1.61719
   A146       1.83703   0.00001  -0.00140  -0.00116  -0.00257   1.83446
   A147       1.38014  -0.00001  -0.00847  -0.00772  -0.01626   1.36388
   A148       1.60417   0.00000  -0.00702  -0.00630  -0.01336   1.59081
   A149       2.03420  -0.00001  -0.00649  -0.00598  -0.01252   2.02169
   A150       2.20631   0.00000  -0.00725  -0.00643  -0.01368   2.19262
   A151       1.44243   0.00000  -0.00376  -0.00348  -0.00726   1.43518
   A152       1.50930   0.00001  -0.00256  -0.00231  -0.00488   1.50442
   A153       0.76561   0.00000  -0.00004   0.00001  -0.00002   0.76559
   A154       0.76696   0.00000   0.00003  -0.00009  -0.00006   0.76691
   A155       2.80954   0.00001  -0.00100  -0.00031  -0.00133   2.80821
   A156       2.42689   0.00000  -0.00108  -0.00044  -0.00154   2.42535
   A157       2.15788   0.00000  -0.00017   0.00077   0.00055   2.15843
   A158       1.86469   0.00000   0.00045   0.00123   0.00164   1.86632
   A159       2.14785   0.00000  -0.00149  -0.00134  -0.00285   2.14500
   A160       1.23978   0.00000  -0.00733  -0.00728  -0.01467   1.22510
   A161       1.55058   0.00000  -0.00624  -0.00617  -0.01246   1.53812
   A162       1.95144  -0.00001  -0.00678  -0.00667  -0.01351   1.93793
   A163       2.20730   0.00000  -0.00720  -0.00699  -0.01423   2.19307
   A164       1.51309   0.00001  -0.00274  -0.00318  -0.00594   1.50715
   A165       1.65868   0.00001  -0.00179  -0.00221  -0.00402   1.65466
   A166       2.15807   0.00001   0.00061   0.00165   0.00225   2.16032
   A167       1.86000   0.00000   0.00045   0.00132   0.00174   1.86175
   A168       1.47482   0.00000   0.00083   0.00172   0.00250   1.47732
   A169       1.19593   0.00000   0.00080   0.00164   0.00239   1.19832
   A170       1.86828   0.00000   0.00010   0.00063   0.00070   1.86898
   A171       2.00427  -0.00001  -0.00713  -0.00713  -0.01436   1.98991
   A172       2.29878   0.00000  -0.00686  -0.00637  -0.01328   2.28550
   A173       2.71625  -0.00001  -0.00684  -0.00661  -0.01350   2.70275
   A174       2.12785   0.00000  -0.00434  -0.00368  -0.00804   2.11981
   A175       2.11568   0.00001  -0.00345  -0.00240  -0.00587   2.10981
   A176       2.26511   0.00001   0.00114   0.00237   0.00350   2.26861
   A177       2.04665   0.00000   0.00086   0.00193   0.00276   2.04942
   A178       1.63689   0.00000   0.00127   0.00229   0.00352   1.64041
   A179       1.38657   0.00000   0.00080   0.00183   0.00257   1.38913
   A180       2.13379   0.00000   0.00024   0.00094   0.00114   2.13492
   A181       1.92839   0.00000  -0.00501  -0.00592  -0.01104   1.91735
   A182       2.29399   0.00000  -0.00525  -0.00575  -0.01107   2.28292
   A183       2.61457   0.00000  -0.00542  -0.00608  -0.01157   2.60300
   A184       2.26479   0.00001  -0.00336  -0.00354  -0.00694   2.25785
   A185       2.33325   0.00001  -0.00301  -0.00255  -0.00558   2.32766
   A186       0.69179   0.00001  -0.00020  -0.00011  -0.00029   0.69150
   A187       0.98257   0.00001  -0.00052  -0.00034  -0.00082   0.98175
   A188       0.70051   0.00000  -0.00005   0.00002  -0.00002   0.70049
   A189       2.08873   0.00000   0.00429   0.00385   0.00813   2.09686
   A190       1.71929  -0.00001   0.00342   0.00290   0.00633   1.72562
   A191       1.38120   0.00000   0.00546   0.00458   0.01008   1.39128
   A192       1.07945  -0.00001   0.00503   0.00427   0.00936   1.08881
   A193       1.62463  -0.00001  -0.00063  -0.00038  -0.00099   1.62364
   A194       1.40629  -0.00001  -0.00139  -0.00102  -0.00239   1.40389
   A195       0.66648   0.00001  -0.00020  -0.00017  -0.00034   0.66613
   A196       2.24860   0.00000   0.00019   0.00092   0.00103   2.24963
   A197       1.85373   0.00000   0.00075   0.00115   0.00189   1.85562
   A198       1.62159   0.00000   0.00436   0.00400   0.00837   1.62996
   A199       1.30387   0.00000   0.00339   0.00330   0.00677   1.31064
   A200       1.61825  -0.00001  -0.00280  -0.00169  -0.00446   1.61378
   A201       1.34530   0.00000  -0.00307  -0.00190  -0.00495   1.34035
   A202       0.71025   0.00000  -0.00064  -0.00047  -0.00110   0.70915
   A203       2.64082   0.00000  -0.00233  -0.00096  -0.00353   2.63730
   A204       2.25279   0.00000  -0.00059   0.00021  -0.00044   2.25235
   A205       2.03163   0.00000   0.00425   0.00387   0.00815   2.03978
   A206       1.71443   0.00000   0.00331   0.00320   0.00659   1.72103
   A207       1.95903   0.00000  -0.00433  -0.00265  -0.00695   1.95208
   A208       1.67157   0.00000  -0.00429  -0.00257  -0.00683   1.66474
   A209       0.83408   0.00001   0.00035   0.00021   0.00059   0.83466
   A210       2.69673   0.00000  -0.00629  -0.00417  -0.01057   2.68616
   A211       2.38678   0.00000  -0.00203  -0.00081  -0.00288   2.38390
   A212       2.27607   0.00001   0.00379   0.00361   0.00744   2.28351
   A213       1.96068   0.00000   0.00276   0.00286   0.00573   1.96641
   A214       2.01515   0.00001  -0.00406  -0.00234  -0.00636   2.00879
   A215       1.73355   0.00001  -0.00358  -0.00189  -0.00543   1.72813
   A216       1.93604   0.00000  -0.00293  -0.00141  -0.00437   1.93167
   A217       1.56523   0.00000  -0.00142  -0.00034  -0.00177   1.56346
   A218       1.47777   0.00000   0.00242   0.00272   0.00514   1.48290
   A219       1.18640   0.00000   0.00087   0.00157   0.00255   1.18894
   A220       1.24917   0.00000  -0.00359  -0.00212  -0.00568   1.24349
   A221       0.96271   0.00000  -0.00352  -0.00204  -0.00554   0.95718
   A222       0.71677   0.00000  -0.00005   0.00016   0.00018   0.71695
   A223       1.00935   0.00001  -0.00068  -0.00036  -0.00107   1.00829
   A224       0.69798   0.00000  -0.00032  -0.00018  -0.00048   0.69750
   A225       0.98579  -0.00001  -0.00043  -0.00031  -0.00070   0.98509
   A226       0.65875   0.00000  -0.00106  -0.00091  -0.00198   0.65677
   A227       0.66596  -0.00001   0.00027   0.00006   0.00036   0.66631
   A228       0.70914  -0.00001   0.00062   0.00027   0.00094   0.71008
   A229       0.84453  -0.00001   0.00166   0.00102   0.00273   0.84725
   A230       0.76838   0.00000  -0.00302  -0.00252  -0.00545   0.76293
   A231       0.77805   0.00000  -0.00224  -0.00197  -0.00406   0.77398
   A232       1.57930   0.00009  -0.00172  -0.00157  -0.00329   1.57601
   A233       1.87130  -0.00006   0.00189   0.00192   0.00381   1.87511
   A234       2.18974   0.00004  -0.00015  -0.00014  -0.00029   2.18944
   A235       2.12922  -0.00002   0.00002   0.00002   0.00004   2.12927
   A236       1.96387  -0.00002   0.00013   0.00011   0.00025   1.96412
   A237       2.12366   0.00003  -0.00036  -0.00009  -0.00045   2.12321
   A238       2.12639   0.00001  -0.00021  -0.00019  -0.00040   2.12599
   A239       2.03226  -0.00003   0.00054   0.00036   0.00090   2.03316
   A240       1.83043   0.00002   0.00380   0.00238   0.00617   1.83660
   A241       2.54365  -0.00003  -0.00384  -0.00230  -0.00614   2.53752
   A242       1.91371   0.00000  -0.00032  -0.00021  -0.00053   1.91317
   A243       1.91562   0.00001   0.00075   0.00043   0.00116   1.91678
   A244       1.91743  -0.00001  -0.00005  -0.00015  -0.00018   1.91724
   A245       1.90964   0.00002  -0.00026   0.00004  -0.00022   1.90941
   A246       1.90847   0.00001   0.00001  -0.00002  -0.00001   1.90846
   A247       1.89887  -0.00002  -0.00013  -0.00009  -0.00022   1.89866
   A248       1.28198   0.00002   0.00036  -0.00186  -0.00149   1.28049
   A249       1.90527  -0.00002   0.00063   0.00037   0.00101   1.90628
   A250       1.90947  -0.00001  -0.00010  -0.00001  -0.00010   1.90936
   A251       1.92730   0.00001  -0.00021  -0.00011  -0.00033   1.92697
   A252       1.91084   0.00002  -0.00031  -0.00024  -0.00057   1.91027
   A253       1.89776   0.00000   0.00001   0.00012   0.00013   1.89789
   A254       1.91308  -0.00001  -0.00002  -0.00012  -0.00014   1.91294
   A255       1.72121   0.00001  -0.00152  -0.00111  -0.00263   1.71858
   A256       1.76802  -0.00002   0.00183   0.00084   0.00267   1.77070
   A257       2.19082   0.00000  -0.00020  -0.00013  -0.00033   2.19050
   A258       2.12993   0.00000   0.00010   0.00007   0.00017   2.13010
   A259       1.96223  -0.00001   0.00011   0.00007   0.00017   1.96240
   A260       2.12472   0.00000   0.00011   0.00015   0.00024   2.12496
   A261       2.12342   0.00000   0.00001  -0.00002  -0.00003   2.12339
   A262       2.03481   0.00000  -0.00012  -0.00014  -0.00023   2.03457
   A263       1.34940  -0.00001   0.00029   0.00062   0.00091   1.35031
   A264       1.90030  -0.00001   0.00013   0.00015   0.00028   1.90058
   A265       1.93142   0.00000  -0.00018  -0.00016  -0.00034   1.93108
   A266       1.91016  -0.00001   0.00006   0.00005   0.00012   1.91028
   A267       1.89743   0.00000  -0.00012  -0.00014  -0.00026   1.89717
   A268       1.91306   0.00000   0.00007   0.00009   0.00016   1.91321
   A269       1.91135   0.00001   0.00003   0.00000   0.00003   1.91138
   A270       2.66609   0.00000  -0.00077  -0.00003  -0.00081   2.66529
   A271       1.69730   0.00000   0.00077  -0.00001   0.00075   1.69806
   A272       1.92467   0.00000  -0.00009  -0.00004  -0.00013   1.92454
   A273       1.91296   0.00000  -0.00021  -0.00018  -0.00041   1.91255
   A274       1.91351   0.00000   0.00005   0.00000   0.00006   1.91357
   A275       1.89435   0.00001  -0.00002  -0.00005  -0.00006   1.89429
   A276       1.91107   0.00000   0.00007   0.00008   0.00015   1.91122
   A277       1.90709  -0.00001   0.00020   0.00019   0.00040   1.90749
   A278       1.80224   0.00003  -0.00372  -0.00292  -0.00663   1.79562
   A279       1.75520  -0.00002   0.00273   0.00187   0.00459   1.75979
   A280       2.18952   0.00001   0.00006   0.00007   0.00013   2.18966
   A281       2.13071   0.00000  -0.00013  -0.00013  -0.00026   2.13045
   A282       1.96288  -0.00001   0.00008   0.00007   0.00012   1.96300
   A283       2.12282   0.00000   0.00024   0.00014   0.00043   2.12325
   A284       2.11590  -0.00001   0.00034   0.00026   0.00060   2.11650
   A285       2.04173   0.00001  -0.00053  -0.00034  -0.00091   2.04081
   A286       2.69774   0.00002  -0.00593  -0.00412  -0.01004   2.68770
   A287       1.66182  -0.00001   0.00544   0.00375   0.00918   1.67100
   A288       1.92599   0.00000  -0.00040  -0.00020  -0.00057   1.92542
   A289       1.91508   0.00001  -0.00002  -0.00003  -0.00002   1.91505
   A290       1.91238   0.00000   0.00040   0.00028   0.00064   1.91302
   A291       1.89125   0.00001  -0.00044  -0.00039  -0.00084   1.89041
   A292       1.91275  -0.00001   0.00036   0.00028   0.00064   1.91338
   A293       1.90617  -0.00001   0.00010   0.00006   0.00014   1.90632
   A294       1.35269   0.00000   0.00492   0.00368   0.00861   1.36131
   A295       1.15204   0.00001  -0.00363  -0.00268  -0.00631   1.14573
   A296       1.93240   0.00000  -0.00055  -0.00039  -0.00092   1.93148
   A297       1.90693   0.00000   0.00017   0.00017   0.00032   1.90725
   A298       1.90188   0.00000   0.00048   0.00034   0.00077   1.90265
   A299       1.90969   0.00000   0.00013   0.00010   0.00024   1.90993
   A300       1.89820   0.00000  -0.00064  -0.00047  -0.00111   1.89709
   A301       1.91467   0.00000   0.00041   0.00026   0.00070   1.91537
   A302       1.71599  -0.00002   0.00210   0.00025   0.00237   1.71836
   A303       1.77347  -0.00002   0.00180   0.00128   0.00310   1.77656
   A304       2.19177  -0.00001  -0.00048  -0.00044  -0.00093   2.19084
   A305       2.13011   0.00001  -0.00016  -0.00005  -0.00023   2.12988
   A306       1.96104   0.00000   0.00065   0.00049   0.00118   1.96222
   A307       2.12367   0.00000  -0.00125  -0.00072  -0.00187   2.12180
   A308       2.12216   0.00001   0.00066   0.00043   0.00098   2.12314
   A309       2.03677  -0.00001   0.00073   0.00034   0.00107   2.03784
   A310       1.33484   0.00000  -0.01923  -0.01427  -0.03328   1.30157
   A311       3.02147   0.00002   0.01953   0.01448   0.03386   3.05534
   A312       1.90851   0.00001   0.00010   0.00035   0.00024   1.90875
   A313       1.93074  -0.00001   0.00102   0.00114   0.00066   1.93140
   A314       1.90238   0.00002  -0.00150  -0.00115  -0.00278   1.89960
   A315       1.91233  -0.00001   0.00031   0.00003   0.00103   1.91336
   A316       1.91156  -0.00002  -0.00052  -0.00031  -0.00050   1.91106
   A317       1.89819   0.00002   0.00057  -0.00007   0.00132   1.89950
   A318       1.72380   0.00001   0.00508   0.00386   0.00893   1.73274
   A319       1.91352  -0.00001   0.00002   0.00003   0.00005   1.91357
   A320       1.91452   0.00002  -0.00011  -0.00023  -0.00031   1.91421
   A321       1.92459   0.00000  -0.00015  -0.00015  -0.00029   1.92429
   A322       1.90504   0.00000   0.00030   0.00021   0.00051   1.90554
   A323       1.91135  -0.00001  -0.00016  -0.00005  -0.00022   1.91113
   A324       1.89462  -0.00001   0.00011   0.00020   0.00027   1.89489
   A325       2.93120   0.00000   0.00287   0.00242   0.00530   2.93650
   A326       3.35267   0.00000   0.00389   0.00226   0.00613   3.35880
   A327       3.07098   0.00000   0.00418   0.00249   0.00667   3.07765
   A328       3.19506   0.00001   0.00034  -0.00198  -0.00163   3.19343
   A329       3.26075   0.00000   0.00033   0.00062   0.00094   3.26169
   A330       3.26239   0.00000   0.00505   0.00378   0.00885   3.27124
   A331       3.63515   0.00000   0.00491   0.00381   0.00872   3.64387
   A332       3.21067   0.00000   0.00165   0.00085   0.00250   3.21317
   A333       3.00538   0.00000  -0.00599  -0.00618  -0.01220   2.99318
   A334       2.94110   0.00000  -0.00675  -0.00701  -0.01379   2.92731
   A335       3.23040   0.00001  -0.00016  -0.00085  -0.00101   3.22939
   A336       3.07946   0.00000  -0.00051  -0.00034  -0.00086   3.07860
   A337       3.10296   0.00000  -0.00215  -0.00155  -0.00369   3.09927
   A338       3.03762   0.00000   0.00064   0.00083   0.00150   3.03912
    D1        2.75995   0.00001   0.00075   0.00023   0.00099   2.76094
    D2       -1.36122   0.00001   0.00053   0.00008   0.00061  -1.36061
    D3        2.78353   0.00000   0.00261   0.00137   0.00398   2.78752
    D4       -1.33764   0.00000   0.00239   0.00122   0.00361  -1.33404
    D5        1.66535   0.00001   0.00044   0.00040   0.00085   1.66619
    D6       -2.45583   0.00001   0.00022   0.00025   0.00047  -2.45536
    D7        1.84694   0.00001   0.00009   0.00071   0.00080   1.84774
    D8       -2.27424   0.00001  -0.00013   0.00056   0.00043  -2.27381
    D9        0.32465   0.00000   0.00350   0.00285   0.00635   0.33100
   D10        2.48666   0.00000   0.00327   0.00269   0.00598   2.49264
   D11        0.04135   0.00000   0.00164   0.00114   0.00278   0.04413
   D12        2.20336   0.00000   0.00141   0.00098   0.00240   2.20576
   D13       -0.42714   0.00000   0.00096   0.00052   0.00148  -0.42565
   D14        1.73487   0.00000   0.00073   0.00037   0.00111   1.73598
   D15       -0.54701   0.00000   0.00025   0.00000   0.00026  -0.54675
   D16        1.61500   0.00000   0.00003  -0.00015  -0.00011   1.61488
   D17        0.22173   0.00000   0.00031   0.00015   0.00047   0.22220
   D18        2.38374   0.00000   0.00009  -0.00001   0.00009   2.38383
   D19        0.15746   0.00000  -0.00045  -0.00068  -0.00112   0.15634
   D20        2.31946   0.00000  -0.00068  -0.00084  -0.00150   2.31797
   D21        2.40741   0.00000   0.00096   0.00200   0.00296   2.41037
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   D24       -1.95858   0.00000   0.00098   0.00218   0.00316  -1.95542
   D25        1.72083  -0.00001   0.00165   0.00261   0.00423   1.72506
   D26       -2.40034   0.00000   0.00143   0.00245   0.00385  -2.39649
   D27        1.41365  -0.00001   0.00201   0.00290   0.00486   1.41851
   D28       -2.70753  -0.00001   0.00179   0.00274   0.00448  -2.70304
   D29        2.37188  -0.00001   0.00103   0.00251   0.00354   2.37542
   D30       -1.74930  -0.00001   0.00080   0.00236   0.00316  -1.74613
   D31       -1.78255   0.00000   0.00676   0.00682   0.01360  -1.76895
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   D36       -0.33739   0.00001   0.00660   0.00651   0.01314  -0.32424
   D37       -2.78365  -0.00001   0.00630   0.00633   0.01267  -2.77098
   D38       -0.62164   0.00000   0.00608   0.00618   0.01229  -0.60935
   D39       -2.12372  -0.00001   0.00083   0.00145   0.00226  -2.12146
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   D44       -1.92750   0.00002  -0.00402   0.00046  -0.00355  -1.93105
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   D49        2.85936   0.00001   0.00087   0.00168   0.00254   2.86190
   D50       -0.32934   0.00001  -0.00038   0.00423   0.00385  -0.32549
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   D59        1.83423   0.00000  -0.00336  -0.00237  -0.00570   1.82853
   D60       -1.35447   0.00001  -0.00461   0.00018  -0.00440  -1.35887
   D61       -2.27288   0.00001  -0.00295  -0.00049  -0.00344  -2.27632
   D62        0.82161   0.00001  -0.00420   0.00206  -0.00214   0.81947
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   D64        0.68483   0.00000  -0.00406   0.00190  -0.00217   0.68267
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   D66        0.28226   0.00000  -0.00361   0.00217  -0.00145   0.28081
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   D68        0.10419   0.00000  -0.00418   0.00171  -0.00250   0.10169
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   D70        0.95984   0.00001  -0.00419   0.00160  -0.00259   0.95726
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   D72        2.92859   0.00000  -0.00465   0.00220  -0.00245   2.92613
   D73       -0.55927   0.00000  -0.00285  -0.00011  -0.00300  -0.56227
   D74        2.53521   0.00000  -0.00410   0.00244  -0.00169   2.53352
   D75       -0.74411   0.00001   0.00168   0.00358   0.00523  -0.73888
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   D77       -1.08229   0.00000   0.00122   0.00329   0.00454  -1.07775
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   D79       -0.83034  -0.00001  -0.00680  -0.00329  -0.01010  -0.84044
   D80        2.26415   0.00000  -0.00805  -0.00073  -0.00879   2.25536
   D81       -1.13731   0.00000  -0.00741  -0.00368  -0.01109  -1.14840
   D82        1.95717   0.00000  -0.00866  -0.00113  -0.00978   1.94739
   D83       -1.53348   0.00001   0.00040  -0.00074  -0.00035  -1.53382
   D84       -2.60825  -0.00001   0.00049  -0.00028   0.00020  -2.60805
   D85       -2.94644   0.00000   0.00195   0.00042   0.00236  -2.94408
   D86        0.73447   0.00000   0.00271   0.00164   0.00434   0.73881
   D87        0.31217   0.00000   0.00255   0.00132   0.00388   0.31605
   D88       -0.06317   0.00000   0.00351   0.00197   0.00549  -0.05768
   D89       -0.39841   0.00000   0.00244   0.00103   0.00348  -0.39493
   D90        0.18586   0.00000   0.00112   0.00014   0.00127   0.18712
   D91       -0.05130   0.00000   0.00076  -0.00028   0.00052  -0.05079
   D92        2.40493   0.00001   0.00166   0.00144   0.00309   2.40802
   D93        2.05583   0.00000   0.00146   0.00124   0.00268   2.05851
   D94        1.66319   0.00000   0.00163   0.00146   0.00305   1.66624
   D95        1.37571  -0.00001   0.00153   0.00137   0.00284   1.37855
   D96        2.05721   0.00000   0.00140   0.00110   0.00249   2.05970
   D97       -1.92829   0.00000   0.00536   0.00534   0.01085  -1.91745
   D98       -2.44135  -0.00001   0.00160   0.00244   0.00402  -2.43733
   D99       -2.66867   0.00000   0.00482   0.00471   0.00954  -2.65913
   D100      -2.99381   0.00000   0.00301   0.00335   0.00641  -2.98739
   D101      -2.87987  -0.00001  -0.00827  -0.00439  -0.01282  -2.89270
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   D104       1.20149   0.00000  -0.00540  -0.00434  -0.00975   1.19174
   D105       2.81707   0.00001  -0.00569  -0.00505  -0.01074   2.80633
   D106       0.63074   0.00001  -0.00586  -0.00501  -0.01087   0.61987
   D107       2.32200  -0.00001  -0.00660  -0.00576  -0.01234   2.30966
   D108       0.13566  -0.00001  -0.00677  -0.00572  -0.01247   0.12319
   D109       1.76430   0.00000  -0.00576  -0.00465  -0.01040   1.75390
   D110      -0.42203   0.00000  -0.00593  -0.00461  -0.01053  -0.43256
   D111       2.59770   0.00000  -0.00416  -0.00371  -0.00786   2.58984
   D112       0.41137   0.00000  -0.00433  -0.00367  -0.00799   0.40338
   D113       2.26083   0.00000  -0.00373  -0.00361  -0.00733   2.25350
   D114       0.07449   0.00000  -0.00389  -0.00357  -0.00746   0.06703
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   D116       2.48563   0.00000  -0.00055  -0.00033  -0.00088   2.48474
   D117      -1.77310   0.00000  -0.00038  -0.00024  -0.00061  -1.77371
   D118       2.32375   0.00000  -0.00054  -0.00020  -0.00073   2.32302
   D119      -2.73482   0.00000  -0.00023  -0.00016  -0.00040  -2.73522
   D120       1.36203   0.00000  -0.00039  -0.00012  -0.00052   1.36150
   D121      -2.69813   0.00000  -0.00046  -0.00012  -0.00058  -2.69870
   D122       1.39873   0.00000  -0.00063  -0.00008  -0.00071   1.39802
   D123       1.33150   0.00000  -0.00248  -0.00313  -0.00561   1.32589
   D124      -0.85483   0.00000  -0.00265  -0.00309  -0.00574  -0.86057
   D125       1.30070   0.00000  -0.00283  -0.00321  -0.00604   1.29466
   D126      -0.88564   0.00000  -0.00300  -0.00317  -0.00616  -0.89180
   D127       1.65585   0.00000  -0.00330  -0.00350  -0.00678   1.64907
   D128      -0.53048   0.00000  -0.00347  -0.00346  -0.00691  -0.53739
   D129       1.78025   0.00001  -0.00197  -0.00252  -0.00445   1.77580
   D130      -0.40608   0.00001  -0.00214  -0.00248  -0.00458  -0.41066
   D131       0.89989   0.00000  -0.00281  -0.00306  -0.00586   0.89403
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   D140      -1.98222   0.00000  -0.00881  -0.00868  -0.01751  -1.99972
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   D245      -0.01442   0.00001   0.00055  -0.00022   0.00033  -0.01408
   D246      -3.12618   0.00001   0.00087   0.00051   0.00136  -3.12482
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   D249      -0.58703   0.00000   0.00078   0.00092   0.00168  -0.58535
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   D267       1.36617   0.00000   0.00268   0.00266   0.00536   1.37153
   D268       1.97422   0.00000   0.00232   0.00172   0.00405   1.97826
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   D273      -2.32721  -0.00001  -0.01874  -0.01418  -0.03279  -2.36000
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   D275      -2.20757   0.00000  -0.00797  -0.00546  -0.01348  -2.22105
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   D277      -1.76505   0.00000  -0.00300  -0.00162  -0.00473  -1.76977
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   D279      -1.78433   0.00000  -0.00367  -0.00223  -0.00588  -1.79021
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   D281      -2.54296   0.00001  -0.00278  -0.00145  -0.00422  -2.54718
   D282       0.79333   0.00001  -0.00099   0.00005  -0.00095   0.79238
   D283      -2.56741   0.00001  -0.00097   0.00003  -0.00094  -2.56836
   D284       1.57919   0.00001  -0.00280  -0.00278  -0.00558   1.57361
   D285      -2.63640   0.00001  -0.00359  -0.00346  -0.00706  -2.64345
   D286       1.64286   0.00000  -0.00262  -0.00196  -0.00458   1.63828
   D287      -2.57273   0.00000  -0.00341  -0.00264  -0.00605  -2.57878
   D288       1.33324   0.00000  -0.00259  -0.00121  -0.00380   1.32944
   D289      -2.88234   0.00000  -0.00338  -0.00189  -0.00528  -2.88762
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   D291      -2.96979   0.00000  -0.00487  -0.00246  -0.00734  -2.97713
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   D293      -2.17545   0.00000  -0.00332  -0.00226  -0.00559  -2.18103
   D294       2.02190  -0.00001  -0.00189  -0.00125  -0.00314   2.01876
   D295      -2.19369  -0.00001  -0.00268  -0.00193  -0.00461  -2.19830
   D296      -2.29976   0.00000  -0.00351  -0.00187  -0.00537  -2.30514
   D297      -0.23216   0.00000  -0.00430  -0.00255  -0.00685  -0.23901
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   D299      -0.20841   0.00000  -0.00335  -0.00146  -0.00482  -0.21322
   D300      -1.88825   0.00000  -0.00220  -0.00037  -0.00257  -1.89082
   D301       0.17935   0.00000  -0.00299  -0.00105  -0.00404   0.17531
   D302      -1.82743   0.00000  -0.00153   0.00056  -0.00097  -1.82840
   D303       0.24017   0.00000  -0.00232  -0.00012  -0.00245   0.23772
   D304      -2.62254   0.00000  -0.00185  -0.00012  -0.00196  -2.62450
   D305      -0.55494   0.00000  -0.00264  -0.00080  -0.00344  -0.55837
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   D307      -0.68074   0.00000  -0.00199   0.00007  -0.00190  -0.68264
   D308       1.52479  -0.00001  -0.00272  -0.00200  -0.00472   1.52007
   D309      -2.69079  -0.00001  -0.00351  -0.00268  -0.00619  -2.69699
   D310       2.62531   0.00000  -0.00256  -0.00186  -0.00438   2.62093
   D311      -1.59027   0.00000  -0.00335  -0.00254  -0.00586  -1.59613
   D312       3.00910   0.00000  -0.00397  -0.00285  -0.00679   3.00231
   D313      -1.20648   0.00000  -0.00476  -0.00353  -0.00826  -1.21475
   D314      -0.42367  -0.00001  -0.01266  -0.00957  -0.02225  -0.44592
   D315       1.64393  -0.00001  -0.01346  -0.01025  -0.02373   1.62020
   D316      -0.28438   0.00000  -0.00987  -0.00700  -0.01689  -0.30127
   D317       1.78322   0.00000  -0.01066  -0.00768  -0.01837   1.76485
   D318       0.13802  -0.00001  -0.00834  -0.00590  -0.01430   0.12372
   D319       2.20562  -0.00001  -0.00913  -0.00658  -0.01577   2.18985
   D320       0.26897   0.00000  -0.00956  -0.00687  -0.01641   0.25256
   D321       2.33657   0.00000  -0.01035  -0.00755  -0.01788   2.31868
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   D325       1.47942   0.00001  -0.00690  -0.00411  -0.01102   1.46839
   D326       0.04141   0.00000   0.00501   0.00552   0.01046   0.05187
   D327       2.22787   0.00000   0.00617   0.00597   0.01207   2.23994
   D328       0.35153   0.00000   0.00419   0.00439   0.00853   0.36005
   D329       2.53799   0.00000   0.00534   0.00484   0.01014   2.54813
   D330       0.71291   0.00001   0.00508   0.00494   0.01005   0.72296
   D331       2.89937   0.00001   0.00624   0.00539   0.01166   2.91103
   D332       0.99078   0.00000   0.00544   0.00514   0.01063   1.00141
   D333      -3.10595   0.00000   0.00660   0.00559   0.01224  -3.09371
   D334       0.30021   0.00000   0.00186   0.00165   0.00337   0.30358
   D335       2.48667   0.00000   0.00302   0.00210   0.00498   2.49165
   D336       0.68114   0.00001   0.00493   0.00374   0.00869   0.68982
   D337       2.86760   0.00001   0.00609   0.00419   0.01030   2.87789
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   D340      -1.98839   0.00000   0.00189   0.00275   0.00473  -1.98365
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   D345       0.53406   0.00001   0.00545   0.00425   0.00982   0.54388
   D346      -1.61001   0.00000  -0.00017   0.00130   0.00126  -1.60875
   D347       0.57644   0.00000   0.00099   0.00175   0.00288   0.57932
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   D349       0.87876   0.00000   0.00072   0.00122   0.00205   0.88081
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   D352       2.21402   0.00001   0.01173   0.01004   0.02183   2.23585
   D353      -1.88271   0.00001   0.01289   0.01049   0.02344  -1.85927
   D354       2.42633   0.00001   0.02165   0.01759   0.03910   2.46543
   D355      -1.67039   0.00001   0.02280   0.01804   0.04071  -1.62968
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   D357      -1.02765   0.00002   0.01753   0.01514   0.03231  -0.99534
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   D457      -1.10633   0.00000   0.00049  -0.00009   0.00041  -1.10592
   D458       0.97813   0.00000   0.00029  -0.00028   0.00000   0.97813
   D459       3.07138   0.00000   0.00044  -0.00016   0.00027   3.07165
   D460      -3.08872   0.00002  -0.00370  -0.00291  -0.00662  -3.09534
   D461      -0.02892   0.00002  -0.00295  -0.00203  -0.00499  -0.03391
   D462       0.06612   0.00001  -0.00373  -0.00287  -0.00661   0.05951
   D463       3.12592   0.00001  -0.00298  -0.00200  -0.00498   3.12094
   D464       1.93870  -0.00001   0.00780   0.00591   0.01373   1.95242
   D465      -2.26171   0.00000   0.00700   0.00530   0.01233  -2.24938
   D466      -0.16898  -0.00001   0.00735   0.00552   0.01289  -0.15609
   D467      -1.12442  -0.00001   0.00705   0.00505   0.01209  -1.11233
   D468       0.95836   0.00000   0.00624   0.00443   0.01069   0.96905
   D469       3.05109  -0.00001   0.00659   0.00466   0.01125   3.06234
   D470      -1.64624   0.00000  -0.00778  -0.00618  -0.01397  -1.66020
   D471       0.45818   0.00001  -0.00785  -0.00620  -0.01404   0.44414
   D472       2.54996   0.00001  -0.00696  -0.00558  -0.01253   2.53742
   D473       1.41721   0.00001  -0.00703  -0.00533  -0.01235   1.40487
   D474      -2.76156   0.00001  -0.00710  -0.00534  -0.01242  -2.77398
   D475      -0.66978   0.00001  -0.00621  -0.00473  -0.01091  -0.68069
   D476       0.00308   0.00000  -0.00071  -0.00104  -0.00171   0.00136
   D477      -3.10055   0.00002  -0.00512  -0.00275  -0.00789  -3.10844
   D478       3.12011  -0.00003  -0.00026  -0.00073  -0.00098   3.11912
   D479       0.01648  -0.00001  -0.00467  -0.00244  -0.00716   0.00932
   D480      -0.34785   0.00001  -0.02537  -0.01694  -0.04212  -0.38996
   D481       1.75982  -0.00001  -0.02428  -0.01596  -0.04026   1.71956
   D482      -2.43708   0.00001  -0.02389  -0.01608  -0.03998  -2.47707
   D483       2.75755  -0.00001  -0.02116  -0.01531  -0.03623   2.72132
   D484      -1.41797  -0.00003  -0.02007  -0.01433  -0.03437  -1.45234
   D485       0.66831   0.00000  -0.01969  -0.01445  -0.03409   0.63422
   D486       0.01289  -0.00002   0.00103  -0.00094   0.00013   0.01301
   D487       2.10458  -0.00001   0.00134  -0.00081   0.00059   2.10517
   D488      -2.09289  -0.00001   0.00132  -0.00080   0.00055  -2.09234
   D489      -3.09255  -0.00001  -0.00312  -0.00254  -0.00570  -3.09825
   D490      -1.00085   0.00001  -0.00281  -0.00241  -0.00524  -1.00609
   D491       1.08487   0.00001  -0.00284  -0.00241  -0.00528   1.07959
         Item               Value     Threshold  Converged?
 Maximum Force            0.000091     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.099604     0.001800     NO 
 RMS     Displacement     0.010288     0.001200     NO 
 Predicted change in Energy=-6.577772D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:15:29 2016, MaxMem=  2952790016 cpu:         5.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833211   -0.600958    1.677418
      2          6           0       -2.090388    1.106899   -1.349712
      3          8           0       -2.645261    0.121123   -1.866200
      4          7           0       -0.794858    1.156340   -0.935453
      5          1           0       -2.635686    2.051556   -1.152788
      6          6           0       -0.252805    2.328705   -0.247902
      7          1           0       -1.007614    3.127135   -0.229110
      8          1           0        0.023483    2.061601    0.785290
      9          1           0        0.646412    2.688611   -0.774014
     10          6           0        0.113876    0.019604   -1.104414
     11          1           0        0.684595   -0.129683   -0.174452
     12          1           0       -0.469507   -0.884038   -1.324384
     13          1           0        0.821750    0.212339   -1.927384
     14          6           0       -1.985287   -4.018055    2.609719
     15          8           0       -2.105023   -3.867575    3.837701
     16          7           0       -2.929701   -3.709657    1.679912
     17          1           0       -1.055480   -4.412197    2.153537
     18          6           0       -4.230818   -3.152407    2.058032
     19          1           0       -4.501216   -2.360040    1.342082
     20          1           0       -5.009970   -3.932482    2.033002
     21          1           0       -4.167540   -2.729688    3.069058
     22          6           0       -2.685494   -3.888889    0.248541
     23          1           0       -3.395345   -4.620410   -0.171308
     24          1           0       -2.823511   -2.927424   -0.273076
     25          1           0       -1.657300   -4.243173    0.090806
     26          6           0        1.536808    0.381077    2.617941
     27          8           0        1.347101    1.398842    3.305511
     28          7           0        1.171922   -0.883740    2.962624
     29          1           0        2.025632    0.424966    1.624765
     30          6           0        1.487757   -2.032279    2.113303
     31          1           0        2.230591   -2.681029    2.607139
     32          1           0        0.575725   -2.624308    1.934109
     33          1           0        1.885884   -1.681138    1.151450
     34          6           0        0.532112   -1.166425    4.249859
     35          1           0        1.281313   -1.481382    4.996293
     36          1           0        0.019507   -0.263799    4.605580
     37          1           0       -0.196460   -1.979419    4.116966
     38          6           0       -4.620353    1.198617    2.915129
     39          8           0       -4.890350    1.845503    1.889227
     40          7           0       -3.515033    1.370365    3.690275
     41          1           0       -5.272605    0.380870    3.283579
     42          6           0       -2.501624    2.380013    3.369123
     43          1           0       -2.562322    2.630069    2.301553
     44          1           0       -2.654733    3.290491    3.972108
     45          1           0       -1.506277    1.968375    3.593835
     46          6           0       -3.260631    0.530768    4.861689
     47          1           0       -4.065896   -0.208955    4.967683
     48          1           0       -2.298896    0.004529    4.739661
     49          1           0       -3.208503    1.150881    5.771596
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485173   0.000000
     3  O    3.706488   1.243543   0.000000
     4  N    3.315624   1.361048   2.315589   0.000000
     5  H    3.961043   1.108380   2.058063   2.058469   0.000000
     6  C    3.845448   2.466477   3.635403   1.463212   2.563933
     7  H    4.267919   2.551372   3.794477   2.104333   2.158858
     8  H    3.366367   3.152482   4.232972   2.109535   3.290506
     9  H    4.793674   3.212991   4.315087   2.109781   3.364740
    10  C    3.451787   2.470052   2.864168   1.465098   3.419249
    11  H    3.160833   3.257438   3.743375   2.102798   4.091358
    12  H    3.309175   2.567436   2.457197   2.102442   3.652327
    13  H    4.550259   3.100724   3.468750   2.118605   3.992065
    14  C    3.545260   6.477137   6.132064   6.384334   7.170750
    15  O    3.925747   7.187132   6.981121   7.052605   7.760328
    16  N    3.296408   5.751720   5.227876   5.922467   6.426679
    17  H    3.918813   6.618475   6.263919   6.373255   7.430272
    18  C    3.521829   5.859681   5.350663   6.271529   6.319418
    19  H    3.213265   5.007747   4.460249   5.593674   5.400626
    20  H    4.617065   6.735138   6.101421   7.243963   7.182979
    21  H    3.452136   6.209629   5.899257   6.520146   6.559790
    22  C    3.684910   5.278869   4.533646   5.516400   6.103695
    23  H    4.691912   5.991129   5.090915   6.381009   6.786421
    24  H    3.193363   4.239385   3.444337   4.607744   5.059587
    25  H    3.976683   5.557511   4.883955   5.563429   6.490561
    26  C    3.634007   5.424541   6.137166   4.320221   5.866737
    27  O    4.094420   5.794193   6.657186   4.757371   6.013739
    28  N    3.280632   5.762080   6.236841   4.819249   6.328544
    29  H    3.993239   5.123882   5.839212   3.878762   5.664670
    30  C    3.642458   5.886428   6.128248   4.967145   6.659417
    31  H    4.658923   6.976813   7.185871   6.035619   7.759836
    32  H    3.156391   5.640350   5.688101   4.940261   6.458003
    33  H    3.908336   5.462572   5.734599   4.426378   6.299770
    34  C    3.540051   6.587921   7.011395   5.834685   7.041231
    35  H    4.635767   7.638020   8.067206   6.815693   8.101588
    36  H    3.481433   6.464981   7.009500   5.777805   6.750535
    37  H    3.245074   6.557202   6.797586   5.976454   7.068868
    38  C    3.540983   4.959638   5.284230   5.427999   4.605904
    39  O    3.921242   4.344658   4.702887   5.022630   3.792073
    40  N    3.281194   5.244092   5.761209   5.370523   4.969158
    41  H    3.920864   5.667541   5.787109   6.200952   5.424563
    42  C    3.492110   4.904828   5.703667   4.789551   4.535805
    43  H    3.370562   3.984283   4.865374   3.971652   3.503217
    44  H    4.591719   5.779994   6.643104   5.665500   5.272559
    45  H    3.221958   5.051929   5.875509   4.656175   4.879847
    46  C    3.668503   6.346882   6.768381   6.330737   6.235165
    47  H    3.995547   6.748599   6.987783   6.885545   6.679489
    48  H    3.156076   6.191863   6.615963   5.982953   6.246976
    49  H    4.660758   7.208685   7.727455   7.128128   7.006170
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098899   0.000000
     8  H    1.102346   1.796533   0.000000
     9  H    1.102232   1.795835   1.792376   0.000000
    10  C    2.489983   3.417695   2.783685   2.741597   0.000000
    11  H    2.632068   3.670615   2.481913   2.881616   1.101289
    12  H    3.395217   4.192695   3.656577   3.783121   1.097858
    13  H    2.907634   3.837544   3.378698   2.737321   1.102502
    14  C    7.172786   7.750389   6.657771   7.959576   5.874007
    15  O    7.649624   8.165122   7.000205   8.474779   6.667696
    16  N    6.880702   7.353945   6.544391   7.729694   5.560865
    17  H    7.200761   7.907011   6.704201   7.866922   5.623388
    18  C    7.154336   7.419752   6.848710   8.119443   6.240120
    19  H    6.523909   6.692010   6.350892   7.514307   5.739959
    20  H    8.187528   8.424618   7.925999   9.149473   7.191395
    21  H    7.205187   7.427343   6.762893   8.203736   6.580805
    22  C    6.694991   7.229662   6.560105   7.443837   4.994324
    23  H    7.627033   8.107345   7.566553   8.373818   5.891948
    24  H    5.851159   6.321163   5.840880   6.620510   4.243152
    25  H    6.728812   7.405800   6.561822   7.355584   4.768320
    26  C    3.899875   4.703256   2.910828   4.197961   4.001416
    27  O    4.006381   4.585327   2.922794   4.335550   4.782320
    28  N    4.759951   5.569979   3.838584   5.196184   4.298407
    29  H    3.510325   4.465327   2.718803   3.574980   3.356717
    30  C    5.255761   6.191391   4.546159   5.597433   4.056042
    31  H    6.278212   7.229456   5.539223   6.540248   5.054654
    32  H    5.475397   6.345516   4.856181   5.963727   4.054159
    33  H    4.755104   5.779079   4.196510   4.933397   3.334885
    34  C    5.749947   6.392697   4.762572   6.333535   5.499984
    35  H    6.661221   7.333652   5.645122   7.147614   6.390188
    36  H    5.509222   5.993967   4.472372   6.168449   5.717802
    37  H    6.133122   6.754498   5.241973   6.813415   5.599573
    38  C    5.509750   5.163071   5.181329   6.600656   6.321370
    39  O    5.129097   4.604951   5.040946   6.201566   6.110489
    40  N    5.202864   4.973427   4.630102   6.243819   6.163001
    41  H    6.439240   6.170179   6.092196   7.538202   6.956951
    42  C    4.259424   3.967057   3.626809   5.212576   5.694287
    43  H    3.453175   3.011387   3.051000   4.445055   5.057389
    44  H    4.950028   4.515520   4.340371   5.812529   6.643416
    45  H    4.057089   4.025704   3.199497   4.922490   5.338178
    46  C    6.195767   6.142756   5.453979   7.189049   6.873352
    47  H    6.941305   6.891244   6.274620   7.973005   7.375167
    48  H    5.870611   6.008891   5.026136   6.802922   6.322572
    49  H    6.808655   6.690139   6.011522   7.750483   7.719942
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795369   0.000000
    13  H    1.791246   1.798053   0.000000
    14  C    5.477163   5.253267   6.808890   0.000000
    15  O    6.152330   6.182517   7.645122   1.242949   0.000000
    16  N    5.414611   4.802340   6.516749   1.360724   2.315402
    17  H    5.175647   4.988707   6.447033   1.108147   2.057805
    18  C    6.187256   5.543798   7.261784   2.469031   2.863161
    19  H    5.845255   5.054038   6.755776   3.268917   3.773926
    20  H    7.194595   6.417231   8.177600   3.080363   3.420508
    21  H    6.389334   6.031932   7.649377   2.575482   2.477817
    22  C    5.066364   4.051397   5.818545   2.466198   3.635859
    23  H    6.067334   4.883706   6.650049   3.175721   4.278299
    24  H    4.488195   3.289682   5.087511   3.194151   4.277686
    25  H    4.740847   3.833718   5.483644   2.550133   3.792196
    26  C    2.963883   4.600842   4.604320   5.635387   5.727284
    27  O    3.858166   5.472435   5.391380   6.397790   6.319456
    28  N    3.263026   4.590505   5.023564   4.462784   4.517454
    29  H    2.311536   4.078811   3.756635   6.066139   6.354943
    30  C    3.082006   4.119106   4.670013   4.031349   4.387474
    31  H    4.078813   5.096722   5.560423   4.422813   4.660442
    32  H    3.268186   3.839118   4.797731   2.992952   3.515078
    33  H    2.368147   3.508987   3.767871   4.751178   5.284296
    34  C    4.546714   5.670553   6.335867   4.142361   3.797441
    35  H    5.377710   6.585830   7.142632   4.775053   4.301572
    36  H    4.827943   5.982333   6.599236   4.700755   4.253288
    37  H    4.755423   5.557221   6.509587   3.102859   2.699209
    38  C    6.281111   6.288119   7.351133   5.852394   5.730996
    39  O    6.264195   6.109136   7.061291   6.583298   6.647846
    40  N    5.901113   6.285250   7.190744   5.704629   5.426405
    41  H    6.907016   6.775180   8.020206   5.532729   5.328218
    42  C    5.385859   6.067334   6.617901   6.463634   6.277675
    43  H    4.928418   5.465917   5.931381   6.680232   6.692402
    44  H    6.327927   7.089058   7.507660   7.464524   7.180401
    45  H    4.837535   5.779276   6.243975   6.085663   5.871651
    46  C    6.431463   6.932500   7.928351   5.233513   4.661480
    47  H    7.001071   7.278726   8.462181   4.939450   4.302020
    48  H    5.750455   6.396004   7.364177   4.562476   3.980490
    49  H    7.221602   7.873749   8.740600   6.181555   5.490220
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056840   0.000000
    18  C    1.465062   3.417450   0.000000
    19  H    2.098870   4.091809   1.101610   0.000000
    20  H    2.121754   3.985304   1.102824   1.791305   0.000000
    21  H    2.102929   3.654303   1.097665   1.797338   1.797169
    22  C    1.463073   2.561212   2.490922   2.613438   2.930766
    23  H    2.115020   3.305030   2.796963   2.936422   2.817666
    24  H    2.106496   3.349468   2.732251   2.396948   3.332978
    25  H    2.104496   2.155369   3.418004   3.633145   3.887037
    26  C    6.128924   5.469104   6.787085   6.752724   7.861886
    27  O    6.857870   6.392778   7.306385   7.224062   8.393727
    28  N    5.143391   4.250406   5.929144   6.081951   6.955201
    29  H    6.453950   5.759426   7.220006   7.101825   8.285753
    30  C    4.745036   3.483344   5.827508   6.047315   6.770353
    31  H    5.342887   3.741785   6.501809   6.857159   7.370312
    32  H    3.678398   2.430128   4.837055   5.118170   5.737690
    33  H    5.252049   4.136965   6.356144   6.425908   7.307427
    34  C    5.005677   4.177325   5.606580   5.934162   6.578769
    35  H    5.804846   4.704417   6.466011   6.896589   7.373550
    36  H    5.397342   4.937338   5.735793   5.956642   6.735950
    37  H    4.050131   3.242125   4.678799   5.135735   5.597074
    38  C    5.336217   6.691006   4.451714   3.892648   5.220931
    39  O    5.894723   7.344038   5.044065   4.258801   5.781011
    40  N    5.494615   6.469079   4.861279   4.516911   5.753397
    41  H    4.979293   6.483412   3.882182   3.446308   4.498658
    42  C    6.334095   7.050042   5.942789   5.529499   6.922760
    43  H    6.380716   7.203193   6.023306   5.438850   7.009292
    44  H    7.371014   8.074417   6.903526   6.500388   7.840830
    45  H    6.158676   6.556628   6.000353   5.724966   7.037911
    46  C    5.311725   6.052245   4.729433   4.720536   5.566171
    47  H    4.935108   5.886362   4.142122   4.238119   4.834075
    48  H    4.853366   5.267028   4.570526   4.688811   5.493267
    49  H    6.359594   6.976653   5.775290   5.798126   6.562236
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390505   0.000000
    23  H    3.830285   1.102400   0.000000
    24  H    3.607683   1.102518   1.789847   0.000000
    25  H    4.178748   1.098900   1.797725   1.795453   0.000000
    26  C    6.513060   6.455579   7.557838   6.190036   6.162177
    27  O    6.892890   7.318947   8.414895   6.994060   7.154934
    28  N    5.650549   5.592569   6.681629   5.532621   5.247630
    29  H    7.098817   6.534374   7.620281   6.193102   6.140728
    30  C    5.777736   4.933595   5.980180   5.008305   4.343953
    31  H    6.414968   5.584782   6.567505   5.822396   4.887527
    32  H    4.878296   3.882763   4.917987   4.064277   3.317362
    33  H    6.435885   5.156248   6.187114   5.075520   4.499237
    34  C    5.091641   5.811655   6.848477   5.900700   5.617617
    35  H    5.912910   6.638734   7.643869   6.834243   6.350334
    36  H    5.096358   6.280293   7.311629   6.243311   6.247422
    37  H    4.174984   4.980570   5.966321   5.203132   4.844440
    38  C    3.957311   6.061112   6.699836   5.515207   6.809519
    39  O    4.779836   6.358969   6.949019   5.632780   7.124529
    40  N    4.197869   6.339828   7.128501   5.887049   6.922366
    41  H    3.307984   5.842554   6.361851   5.439915   6.681767
    42  C    5.382783   7.005067   7.895524   6.445007   7.438201
    43  H    5.647370   6.835704   7.705739   6.130471   7.276533
    44  H    6.272690   8.087607   8.960957   7.530774   8.533198
    45  H    5.424897   6.847561   7.820292   6.376281   7.132836
    46  C    3.829697   6.414459   7.203043   6.206125   6.937039
    47  H    3.157404   6.141475   6.805865   6.033171   6.772014
    48  H    3.709270   5.956368   6.834462   5.830875   6.329808
    49  H    4.825171   7.495128   8.286181   7.301976   7.985826
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242814   0.000000
    28  N    1.360776   2.314831   0.000000
    29  H    1.107823   2.057606   2.057037   0.000000
    30  C    2.466040   3.635070   1.462956   2.562427   0.000000
    31  H    3.139736   4.232449   2.115985   3.264088   1.102974
    32  H    3.228567   4.319896   2.107812   3.390575   1.102004
    33  H    2.554443   3.796912   2.103791   2.163153   1.098620
    34  C    2.463196   2.852472   1.465005   3.413831   2.495562
    35  H    3.031598   3.340473   2.122487   3.944030   2.942404
    36  H    2.582398   2.493404   2.100402   3.658441   3.390387
    37  H    3.289869   3.801801   2.098925   4.114587   2.618024
    38  C    6.218306   5.983561   6.155397   6.814153   6.956336
    39  O    6.632039   6.411799   6.734397   7.065315   7.467774
    40  N    5.258298   4.877418   5.251478   5.988245   6.252418
    41  H    6.841870   6.697556   6.575271   7.484508   7.272917
    42  C    4.568255   3.972333   4.930747   5.230778   6.079520
    43  H    4.686250   4.219887   5.169957   5.135158   6.178679
    44  H    5.278966   4.476312   5.752092   5.968841   6.996232
    45  H    3.568228   2.923913   3.963047   4.328247   5.211664
    46  C    5.298324   4.940287   5.025416   6.199471   6.055578
    47  H    6.104074   5.886286   5.648923   6.977368   6.505002
    48  H    4.399558   4.158628   3.999182   5.346109   5.038361
    49  H    5.749445   5.186193   5.587319   6.717092   6.750591
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787391   0.000000
    33  H    1.799343   1.794058   0.000000
    34  C    2.806668   2.736790   3.420200   0.000000
    35  H    2.836960   3.343816   3.897208   1.103478   0.000000
    36  H    3.837402   3.608065   4.174114   1.097285   1.796474
    37  H    2.943198   2.403542   3.635852   1.099744   1.790271
    38  C    7.879209   6.525057   7.330393   5.824330   6.807591
    39  O    8.468334   7.061105   7.674559   6.636821   7.668862
    40  N    7.113309   5.981290   6.702776   4.809140   5.730888
    41  H    8.132081   6.712311   7.748665   6.084616   7.025326
    42  C    6.970554   6.047525   6.376617   4.749366   5.645233
    43  H    7.160528   6.131136   6.300459   5.271128   6.240127
    44  H    7.835086   7.040891   7.300028   5.486094   6.269943
    45  H    6.046049   5.308687   5.548959   3.796363   4.651706
    46  C    6.749233   5.765661   6.719004   4.199964   4.969518
    47  H    7.164430   6.048234   7.221816   4.751178   5.496592
    48  H    5.681207   4.800557   5.764470   3.102522   3.884801
    49  H    7.367568   6.580177   7.437665   4.655942   5.261972
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796868   0.000000
    38  C    5.150202   5.578095   0.000000
    39  O    5.994533   6.451779   1.242512   0.000000
    40  N    4.000156   4.734558   1.360911   2.315389   0.000000
    41  H    5.492698   5.659747   1.109008   2.058030   2.057561
    42  C    3.856769   4.987754   2.467958   2.860385   1.466126
    43  H    4.510970   5.490028   2.580896   2.491038   2.103108
    44  H    4.492864   5.816876   3.058890   3.379995   2.122836
    45  H    2.886910   4.192179   3.278817   3.791140   2.098099
    46  C    3.384705   4.030482   2.466570   3.635939   1.463508
    47  H    4.101785   4.339446   2.549835   3.791756   2.104631
    48  H    2.337727   2.957031   3.184954   4.269637   2.108486
    49  H    3.712272   4.648546   3.186691   4.287644   2.115190
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417926   0.000000
    43  H    3.656351   1.098143   0.000000
    44  H    3.974069   1.102726   1.798736   0.000000
    45  H    4.098983   1.100299   1.795289   1.791656   0.000000
    46  C    2.561433   2.494705   3.383637   2.962185   2.598448
    47  H    2.154123   3.421271   4.174810   3.902393   3.630410
    48  H    3.332380   2.749981   3.592663   3.393127   2.407874
    49  H    3.323200   2.789681   3.827106   2.850044   2.882450
                   46         47         48         49
    46  C    0.000000
    47  H    1.098579   0.000000
    48  H    1.103065   1.794396   0.000000
    49  H    1.102355   1.797373   1.790642   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2137614      0.1941068      0.1841950
 Leave Link  202 at Mon Nov 14 02:15:29 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0724948861 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839770997 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8885177864 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4015
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.63D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     200
 GePol: Fraction of low-weight points (<1% of avg)   =       4.98%
 GePol: Cavity surface area                          =    467.194 Ang**2
 GePol: Cavity volume                                =    457.799 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040096561 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8845081303 Hartrees.
 Leave Link  301 at Mon Nov 14 02:15:29 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11975 LenP2D=   37490.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:15:31 2016, MaxMem=  2952790016 cpu:        14.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:15:31 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001588    0.008714   -0.002067
         Rot=    1.000000   -0.000331   -0.000022   -0.000507 Ang=  -0.07 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50885257150    
 Leave Link  401 at Mon Nov 14 02:15:38 2016, MaxMem=  2952790016 cpu:        79.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48360675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for    186.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.13D-15 for   2419    170.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.33D-15 for   2821.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.36D-12 for   3393   3376.
 E= -1013.45033509803    
 DIIS: error= 8.84D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45033509803     IErMin= 1 ErrMin= 8.84D-04
 ErrMax= 8.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-04 BMatP= 5.85D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.84D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.23D-04 MaxDP=4.09D-03              OVMax= 6.68D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.23D-04    CP:  1.00D+00
 E= -1013.45127911154     Delta-E=       -0.000944013507 Rises=F Damp=F
 DIIS: error= 1.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45127911154     IErMin= 2 ErrMin= 1.70D-04
 ErrMax= 1.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-05 BMatP= 5.85D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.70D-03
 Coeff-Com:  0.350D-01 0.965D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.349D-01 0.965D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.60D-05 MaxDP=2.39D-03 DE=-9.44D-04 OVMax= 3.68D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.50D-05    CP:  1.00D+00  9.39D-01
 E= -1013.45120766520     Delta-E=        0.000071446338 Rises=F Damp=F
 DIIS: error= 5.21D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45127911154     IErMin= 2 ErrMin= 1.70D-04
 ErrMax= 5.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-04 BMatP= 1.65D-05
 IDIUse=3 WtCom= 3.05D-01 WtEn= 6.95D-01
 Coeff-Com:  0.264D-02 0.721D+00 0.276D+00
 Coeff-En:   0.000D+00 0.802D+00 0.198D+00
 Coeff:      0.804D-03 0.777D+00 0.222D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.09D-05 MaxDP=1.50D-03 DE= 7.14D-05 OVMax= 2.41D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.69D-06    CP:  1.00D+00  9.65D-01  4.46D-01
 E= -1013.45129094556     Delta-E=       -0.000083280358 Rises=F Damp=F
 DIIS: error= 6.65D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45129094556     IErMin= 4 ErrMin= 6.65D-05
 ErrMax= 6.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-06 BMatP= 1.65D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.590D-04 0.281D+00-0.534D-02 0.724D+00
 Coeff:     -0.590D-04 0.281D+00-0.534D-02 0.724D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.37D-06 MaxDP=3.27D-04 DE=-8.33D-05 OVMax= 3.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.36D-06    CP:  1.00D+00  9.74D-01  3.20D-01  7.68D-01
 E= -1013.45129301918     Delta-E=       -0.000002073620 Rises=F Damp=F
 DIIS: error= 3.32D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45129301918     IErMin= 5 ErrMin= 3.32D-05
 ErrMax= 3.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-07 BMatP= 2.79D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.132D-04 0.148D+00-0.206D-01 0.491D+00 0.382D+00
 Coeff:     -0.132D-04 0.148D+00-0.206D-01 0.491D+00 0.382D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.16D-06 MaxDP=7.86D-05 DE=-2.07D-06 OVMax= 9.91D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.31D-07    CP:  1.00D+00  9.74D-01  3.16D-01  7.91D-01  6.28D-01
 E= -1013.45129324050     Delta-E=       -0.000000221319 Rises=F Damp=F
 DIIS: error= 1.42D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45129324050     IErMin= 6 ErrMin= 1.42D-06
 ErrMax= 1.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-09 BMatP= 2.55D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.168D-04 0.445D-01-0.780D-02 0.158D+00 0.145D+00 0.660D+00
 Coeff:     -0.168D-04 0.445D-01-0.780D-02 0.158D+00 0.145D+00 0.660D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=5.66D-06 DE=-2.21D-07 OVMax= 8.51D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.51D-07    CP:  1.00D+00  9.74D-01  3.17D-01  7.97D-01  6.21D-01
                    CP:  9.23D-01
 E= -1013.45129324171     Delta-E=       -0.000000001209 Rises=F Damp=F
 DIIS: error= 6.07D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45129324171     IErMin= 7 ErrMin= 6.07D-07
 ErrMax= 6.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-10 BMatP= 1.69D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-04 0.111D-01-0.239D-02 0.426D-01 0.452D-01 0.375D+00
 Coeff-Com:  0.528D+00
 Coeff:     -0.120D-04 0.111D-01-0.239D-02 0.426D-01 0.452D-01 0.375D+00
 Coeff:      0.528D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.15D-08 MaxDP=3.50D-06 DE=-1.21D-09 OVMax= 5.81D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.15D-08    CP:  1.00D+00  9.74D-01  3.17D-01  7.98D-01  6.23D-01
                    CP:  9.22D-01  6.74D-01
 E= -1013.45129324199     Delta-E=       -0.000000000280 Rises=F Damp=F
 DIIS: error= 4.27D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45129324199     IErMin= 8 ErrMin= 4.27D-07
 ErrMax= 4.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.87D-11 BMatP= 4.48D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.719D-05 0.482D-02-0.112D-02 0.193D-01 0.219D-01 0.217D+00
 Coeff-Com:  0.368D+00 0.370D+00
 Coeff:     -0.719D-05 0.482D-02-0.112D-02 0.193D-01 0.219D-01 0.217D+00
 Coeff:      0.368D+00 0.370D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.15D-08 MaxDP=2.28D-06 DE=-2.80D-10 OVMax= 3.48D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.10D-08    CP:  1.00D+00  9.74D-01  3.17D-01  7.98D-01  6.23D-01
                    CP:  9.23D-01  7.10D-01  5.62D-01
 E= -1013.45129324210     Delta-E=       -0.000000000110 Rises=F Damp=F
 DIIS: error= 1.55D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45129324210     IErMin= 9 ErrMin= 1.55D-07
 ErrMax= 1.55D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-11 BMatP= 8.87D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.238D-05 0.705D-03-0.180D-03 0.321D-02 0.448D-02 0.625D-01
 Coeff-Com:  0.136D+00 0.289D+00 0.504D+00
 Coeff:     -0.238D-05 0.705D-03-0.180D-03 0.321D-02 0.448D-02 0.625D-01
 Coeff:      0.136D+00 0.289D+00 0.504D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.02D-08 MaxDP=6.16D-07 DE=-1.10D-10 OVMax= 9.98D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.79D-09    CP:  1.00D+00  9.74D-01  3.17D-01  7.98D-01  6.24D-01
                    CP:  9.25D-01  7.06D-01  6.15D-01  6.37D-01
 E= -1013.45129324215     Delta-E=       -0.000000000058 Rises=F Damp=F
 DIIS: error= 1.36D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45129324215     IErMin=10 ErrMin= 1.36D-08
 ErrMax= 1.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-13 BMatP= 1.47D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.739D-06 0.108D-03-0.290D-04 0.604D-03 0.107D-02 0.183D-01
 Coeff-Com:  0.445D-01 0.112D+00 0.217D+00 0.607D+00
 Coeff:     -0.739D-06 0.108D-03-0.290D-04 0.604D-03 0.107D-02 0.183D-01
 Coeff:      0.445D-01 0.112D+00 0.217D+00 0.607D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.46D-09 MaxDP=7.67D-08 DE=-5.82D-11 OVMax= 6.72D-08

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45129324     A.U. after   10 cycles
            NFock= 10  Conv=0.15D-08     -V/T= 2.0213
 KE= 9.923489171053D+02 PE=-6.027294349522D+03 EE= 2.173609631044D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:17:33 2016, MaxMem=  2952790016 cpu:      1321.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11975 LenP2D=   37490.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     358
 Leave Link  701 at Mon Nov 14 02:17:41 2016, MaxMem=  2952790016 cpu:        96.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:17:41 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:18:18 2016, MaxMem=  2952790016 cpu:       440.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.18551758D+00-2.67860132D+00 3.25862857D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000114252   -0.000043094   -0.000043069
      2        6           0.000206320   -0.000172554    0.000089957
      3        8          -0.000005402    0.000121944   -0.000216941
      4        7          -0.000155392   -0.000016675   -0.000020562
      5        1          -0.000000637    0.000029053    0.000103183
      6        6           0.000106881    0.000066165    0.000187031
      7        1           0.000056028    0.000043914    0.000046969
      8        1          -0.000003258    0.000019620   -0.000181213
      9        1          -0.000015034   -0.000029062   -0.000016310
     10        6           0.000037859    0.000022357    0.000002560
     11        1          -0.000025415    0.000159751    0.000094266
     12        1           0.000020790    0.000050082   -0.000040793
     13        1           0.000046049    0.000018856    0.000024955
     14        6          -0.000081844   -0.000020867    0.000025065
     15        8           0.000012057   -0.000060461    0.000021447
     16        7          -0.000073933   -0.000026417   -0.000046971
     17        1           0.000033119    0.000075625   -0.000040330
     18        6          -0.000036008    0.000007876   -0.000032941
     19        1          -0.000000890    0.000005081   -0.000047845
     20        1           0.000005049   -0.000004305   -0.000060059
     21        1           0.000008474   -0.000013352   -0.000063843
     22        6          -0.000027495    0.000033357   -0.000035490
     23        1           0.000048187    0.000000088   -0.000069293
     24        1           0.000070465    0.000010144   -0.000036737
     25        1           0.000024196    0.000019257   -0.000033603
     26        6           0.000001241    0.000147835    0.000124948
     27        8           0.000061087    0.000009454    0.000065940
     28        7           0.000016640   -0.000033305    0.000015121
     29        1          -0.000067504    0.000009195    0.000001819
     30        6          -0.000088592   -0.000076372    0.000042152
     31        1           0.000082629    0.000038501   -0.000069102
     32        1          -0.000004320   -0.000029068   -0.000051358
     33        1          -0.000039103    0.000025095    0.000017313
     34        6          -0.000030824   -0.000077029    0.000023693
     35        1          -0.000016205    0.000004360   -0.000003245
     36        1          -0.000048681   -0.000019234   -0.000020458
     37        1           0.000000911   -0.000037722    0.000025045
     38        6          -0.000022196   -0.000075537    0.000117789
     39        8           0.000104758   -0.000042338   -0.000128961
     40        7          -0.000128253    0.000181280    0.000135362
     41        1           0.000016967   -0.000087217   -0.000010540
     42        6          -0.000229738   -0.000494073    0.000294654
     43        1          -0.000052310    0.000210979    0.000076631
     44        1           0.000088668    0.000125035   -0.000183291
     45        1          -0.000049456    0.000030670   -0.000016609
     46        6           0.000251305   -0.000048410   -0.000189045
     47        1          -0.000029979   -0.000040320    0.000026830
     48        1          -0.000150071    0.000020829    0.000114000
     49        1          -0.000031394   -0.000038992   -0.000018119
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000494073 RMS     0.000092525
 Leave Link  716 at Mon Nov 14 02:18:18 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000166444 RMS     0.000023975
 Search for a local minimum.
 Step number  46 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .23975D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   41   42   43   44   45
                                                     46
 DE= -3.32D-06 DEPred=-6.58D-06 R= 5.05D-01
 TightC=F SS=  1.41D+00  RLast= 3.53D-01 DXNew= 2.2445D+00 1.0591D+00
 Trust test= 5.05D-01 RLast= 3.53D-01 DXMaxT set to 1.33D+00
 ITU=  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  0
     Eigenvalues ---    0.00011   0.00053   0.00104   0.00126   0.00193
     Eigenvalues ---    0.00201   0.00363   0.00375   0.00451   0.00466
     Eigenvalues ---    0.00595   0.00654   0.00700   0.00739   0.00826
     Eigenvalues ---    0.00831   0.00946   0.01028   0.01054   0.01065
     Eigenvalues ---    0.01135   0.01223   0.01250   0.01340   0.01403
     Eigenvalues ---    0.01434   0.01540   0.01654   0.01676   0.01729
     Eigenvalues ---    0.01775   0.01810   0.01881   0.01917   0.01948
     Eigenvalues ---    0.02039   0.02122   0.02219   0.02290   0.02375
     Eigenvalues ---    0.02531   0.02602   0.02792   0.03088   0.03164
     Eigenvalues ---    0.03841   0.03871   0.04372   0.04515   0.04777
     Eigenvalues ---    0.04899   0.05510   0.05895   0.06056   0.06292
     Eigenvalues ---    0.06445   0.06563   0.06955   0.07057   0.07099
     Eigenvalues ---    0.07417   0.07532   0.07974   0.08001   0.08153
     Eigenvalues ---    0.08174   0.08347   0.08366   0.08615   0.08737
     Eigenvalues ---    0.08797   0.08905   0.09018   0.09377   0.09555
     Eigenvalues ---    0.09621   0.09848   0.09910   0.10202   0.10374
     Eigenvalues ---    0.10468   0.10519   0.10602   0.11073   0.11239
     Eigenvalues ---    0.11349   0.11467   0.12029   0.12926   0.13278
     Eigenvalues ---    0.13516   0.14055   0.15193   0.15236   0.15298
     Eigenvalues ---    0.15607   0.17897   0.21876   0.23001   0.23342
     Eigenvalues ---    0.24065   0.24796   0.25272   0.25993   0.26982
     Eigenvalues ---    0.27556   0.28529   0.28863   0.29288   0.29826
     Eigenvalues ---    0.30365   0.31929   0.32720   0.32821   0.32826
     Eigenvalues ---    0.33115   0.33322   0.33350   0.33375   0.33389
     Eigenvalues ---    0.33417   0.33431   0.33505   0.33603   0.33695
     Eigenvalues ---    0.33795   0.33824   0.33892   0.33919   0.33943
     Eigenvalues ---    0.34008   0.34140   0.34259   0.37447   0.39713
     Eigenvalues ---    0.41178   0.42604   0.85978   0.86067   0.86259
     Eigenvalues ---    0.87606
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    46   45   44   43   42
 RFO step:  Lambda=-1.23306514D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.17D-06 SmlDif=  1.00D-05
 RMS Error=  0.9098542842D-04 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.55963   -0.14485   -0.66832   -0.35355    1.60709
 Iteration  1 RMS(Cart)=  0.01259305 RMS(Int)=  0.00339044
 Iteration  2 RMS(Cart)=  0.00026384 RMS(Int)=  0.00007159
 Iteration  3 RMS(Cart)=  0.00000043 RMS(Int)=  0.00007159
 ITry= 1 IFail=0 DXMaxC= 1.24D-01 DCOld= 1.00D+10 DXMaxT= 1.33D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58602   0.00006   0.00456   0.00010   0.00466   6.59068
    R2        6.26562   0.00002  -0.00016  -0.00071  -0.00088   6.26475
    R3        7.26684  -0.00002  -0.00411  -0.00067  -0.00477   7.26207
    R4        6.36151   0.00001  -0.00300  -0.00001  -0.00301   6.35850
    R5        6.52293   0.00006   0.00248   0.00037   0.00285   6.52578
    R6        5.97311  -0.00005   0.00065   0.00167   0.00232   5.97542
    R7        6.69957   0.00001   0.00015  -0.00040  -0.00025   6.69932
    R8        6.22931   0.00001  -0.00103   0.00009  -0.00094   6.22837
    R9        6.65529   0.00003   0.00068  -0.00027   0.00041   6.65570
   R10        6.07219   0.00001   0.00365   0.00025   0.00389   6.07608
   R11        6.96347  -0.00002  -0.00355   0.00053  -0.00304   6.96043
   R12        6.03458   0.00000  -0.00346   0.00056  -0.00289   6.03169
   R13        6.86728   0.00000   0.00428   0.00021   0.00449   6.87177
   R14        6.19950  -0.00001  -0.00592   0.00041  -0.00548   6.19402
   R15        6.88325  -0.00005  -0.01102   0.00079  -0.01018   6.87307
   R16        5.96471   0.00001  -0.00023   0.00017  -0.00008   5.96463
   R17        6.68973   0.00006  -0.00570  -0.00012  -0.00581   6.68392
   R18        6.69149  -0.00008  -0.01508  -0.00224  -0.01722   6.67426
   R19        6.20056   0.00002   0.00687   0.00023   0.00730   6.20786
   R20        6.59913   0.00003   0.02579  -0.00123   0.02462   6.62376
   R21        6.08862   0.00004  -0.04115  -0.00068  -0.04220   6.04642
   R22        6.93247  -0.00005  -0.00637   0.00187  -0.00433   6.92813
   R23        5.96412   0.00008  -0.00025   0.00087   0.00064   5.96475
   R24        2.34996   0.00003  -0.00004  -0.00001  -0.00005   2.34990
   R25        2.57201  -0.00010  -0.00050   0.00003  -0.00047   2.57154
   R26        2.09454   0.00003   0.00003   0.00000   0.00003   2.09457
   R27        2.76507   0.00005   0.00017   0.00004   0.00022   2.76529
   R28        2.76863  -0.00001  -0.00029   0.00000  -0.00029   2.76835
   R29        2.07662  -0.00002  -0.00004  -0.00001  -0.00005   2.07656
   R30        2.08313  -0.00014  -0.00042  -0.00002  -0.00044   2.08269
   R31        2.08292  -0.00001   0.00003   0.00001   0.00004   2.08295
   R32        2.08113   0.00001   0.00003   0.00000   0.00004   2.08117
   R33        2.07465  -0.00001  -0.00001   0.00001   0.00000   2.07465
   R34        2.08343   0.00001   0.00006   0.00002   0.00007   2.08350
   R35        2.34883   0.00005  -0.00002   0.00001  -0.00001   2.34882
   R36        2.57139   0.00004   0.00018  -0.00001   0.00016   2.57155
   R37        2.09410   0.00000  -0.00003   0.00001  -0.00002   2.09407
   R38        2.76857  -0.00001   0.00001   0.00001   0.00003   2.76859
   R39        2.76481   0.00003   0.00022  -0.00001   0.00022   2.76503
   R40        2.08174   0.00000  -0.00001   0.00000   0.00000   2.08174
   R41        2.08403   0.00000  -0.00003   0.00000  -0.00003   2.08401
   R42        2.07429  -0.00002   0.00009   0.00000   0.00009   2.07438
   R43        2.08323   0.00000   0.00000   0.00000   0.00000   2.08323
   R44        2.08346  -0.00002   0.00013  -0.00002   0.00016   2.08362
   R45        2.07662   0.00000   0.00008  -0.00001   0.00007   2.07669
   R46        2.34858   0.00002  -0.00009   0.00001  -0.00007   2.34850
   R47        2.57149   0.00008   0.00017  -0.00001   0.00011   2.57160
   R48        2.09348   0.00000   0.00006  -0.00001   0.00005   2.09353
   R49        2.76459   0.00004   0.00036  -0.00002   0.00027   2.76485
   R50        2.76846   0.00001   0.00034   0.00000   0.00033   2.76878
   R51        2.08432   0.00000   0.00003   0.00000   0.00003   2.08435
   R52        2.08249   0.00000  -0.00026   0.00003  -0.00032   2.08216
   R53        2.07609  -0.00002  -0.00004   0.00001  -0.00003   2.07606
   R54        2.08527  -0.00001  -0.00010   0.00000  -0.00010   2.08517
   R55        2.07357   0.00000   0.00031   0.00000   0.00031   2.07388
   R56        2.07821   0.00000  -0.00007   0.00000  -0.00006   2.07815
   R57        2.34801   0.00006   0.00006  -0.00002   0.00004   2.34805
   R58        2.57175  -0.00004   0.00042  -0.00003   0.00029   2.57204
   R59        2.09572   0.00003  -0.00001   0.00000  -0.00002   2.09570
   R60        2.77058  -0.00009  -0.00129   0.00000  -0.00144   2.76914
   R61        2.76563  -0.00005  -0.00060  -0.00002  -0.00070   2.76493
   R62        2.07519   0.00000  -0.00064   0.00002  -0.00062   2.07457
   R63        2.08385  -0.00001   0.00011  -0.00002   0.00009   2.08394
   R64        2.07926  -0.00001   0.00086   0.00006   0.00070   2.07996
   R65        2.07601   0.00002   0.00034  -0.00001   0.00033   2.07635
   R66        2.08449  -0.00012  -0.00050   0.00001  -0.00049   2.08400
   R67        2.08315  -0.00002   0.00000  -0.00003  -0.00002   2.08313
    A1        0.67951   0.00000   0.00028   0.00005   0.00033   0.67984
    A2        0.95566  -0.00002   0.00056   0.00012   0.00068   0.95635
    A3        0.72806  -0.00002  -0.00043  -0.00003  -0.00046   0.72760
    A4        1.02024  -0.00003  -0.00063  -0.00003  -0.00067   1.01957
    A5        2.34279   0.00000  -0.00273   0.00007  -0.00266   2.34013
    A6        2.02444  -0.00001  -0.00483   0.00018  -0.00466   2.01978
    A7        1.98084   0.00000  -0.00718   0.00033  -0.00686   1.97397
    A8        1.68741   0.00000  -0.00771   0.00030  -0.00741   1.68000
    A9        1.65427  -0.00001  -0.00381   0.00014  -0.00369   1.65058
   A10        1.37311  -0.00001  -0.00444   0.00018  -0.00430   1.36882
   A11        1.73230  -0.00002   0.00330  -0.00007   0.00323   1.73553
   A12        2.03768  -0.00002   0.00251  -0.00006   0.00246   2.04013
   A13        1.94312  -0.00003   0.00080   0.00002   0.00081   1.94393
   A14        2.02760  -0.00003   0.00275  -0.00018   0.00258   2.03018
   A15        2.43218  -0.00001   0.00319  -0.00008   0.00311   2.43529
   A16        1.56727   0.00003  -0.01708   0.00023  -0.01688   1.55040
   A17        1.77276   0.00002  -0.01100   0.00003  -0.01099   1.76177
   A18        1.55913   0.00002  -0.00130  -0.00028  -0.00163   1.55751
   A19        1.70453   0.00000  -0.00476  -0.00029  -0.00501   1.69952
   A20        2.18222   0.00002  -0.01046  -0.00012  -0.01056   2.17166
   A21        2.40068   0.00001  -0.00750  -0.00004  -0.00751   2.39317
   A22        0.64222  -0.00001  -0.00009   0.00004  -0.00004   0.64218
   A23        0.65969  -0.00001  -0.00037  -0.00002  -0.00039   0.65930
   A24        2.39133   0.00001   0.00037   0.00006   0.00043   2.39177
   A25        2.22005  -0.00001  -0.00366   0.00026  -0.00340   2.21665
   A26        2.32175  -0.00001  -0.00701   0.00041  -0.00661   2.31515
   A27        2.05775  -0.00001  -0.00800   0.00037  -0.00764   2.05011
   A28        1.81292  -0.00001  -0.00376   0.00029  -0.00348   1.80944
   A29        1.57270  -0.00001  -0.00506   0.00035  -0.00475   1.56795
   A30        1.33904   0.00000   0.00338  -0.00009   0.00330   1.34233
   A31        1.63838   0.00000   0.00290  -0.00007   0.00284   1.64122
   A32        1.58784  -0.00001   0.00187   0.00001   0.00187   1.58971
   A33        1.73638  -0.00001   0.00424  -0.00018   0.00406   1.74044
   A34        2.03539   0.00001   0.00333  -0.00009   0.00324   2.03863
   A35        1.82616   0.00001  -0.02142   0.00033  -0.02111   1.80505
   A36        1.90236   0.00001  -0.01519   0.00006  -0.01516   1.88721
   A37        1.56007   0.00002  -0.00750  -0.00019  -0.00775   1.55232
   A38        1.58510   0.00000  -0.00994  -0.00024  -0.01016   1.57494
   A39        2.26839   0.00000  -0.01042  -0.00024  -0.01062   2.25777
   A40        2.35908   0.00001  -0.00526   0.00000  -0.00522   2.35386
   A41        0.68836  -0.00001  -0.00007   0.00007   0.00000   0.68835
   A42        0.74616  -0.00003  -0.00054   0.00004  -0.00051   0.74566
   A43        2.65430   0.00001   0.00291   0.00005   0.00296   2.65726
   A44        2.59742   0.00000  -0.00292   0.00032  -0.00260   2.59482
   A45        2.65909   0.00000  -0.00694   0.00036  -0.00659   2.65250
   A46        2.35472   0.00000  -0.00725   0.00029  -0.00697   2.34775
   A47        2.19037   0.00000  -0.00337   0.00036  -0.00302   2.18735
   A48        1.95700   0.00000  -0.00470   0.00039  -0.00434   1.95266
   A49        1.09570  -0.00002   0.00366  -0.00009   0.00358   1.09928
   A50        1.45589  -0.00001   0.00329  -0.00008   0.00321   1.45910
   A51        1.55538  -0.00002   0.00279  -0.00001   0.00276   1.55814
   A52        1.78793  -0.00001   0.00499  -0.00016   0.00481   1.79274
   A53        1.78331  -0.00001   0.00344  -0.00013   0.00330   1.78661
   A54        1.68234   0.00002  -0.02341   0.00040  -0.02305   1.65929
   A55        1.63091   0.00001  -0.01667   0.00004  -0.01665   1.61426
   A56        1.23541   0.00002  -0.01038  -0.00016  -0.01062   1.22480
   A57        1.21169   0.00000  -0.01126  -0.00027  -0.01152   1.20017
   A58        1.93850   0.00000  -0.00959  -0.00031  -0.00987   1.92863
   A59        1.98261   0.00000  -0.00496  -0.00003  -0.00497   1.97764
   A60        0.84078  -0.00002  -0.00158  -0.00003  -0.00161   0.83917
   A61        0.77770  -0.00004  -0.00251  -0.00011  -0.00262   0.77508
   A62        2.59767   0.00001   0.00265  -0.00022   0.00243   2.60010
   A63        2.76399  -0.00001  -0.00266   0.00016  -0.00249   2.76150
   A64        2.61254  -0.00001  -0.00574   0.00036  -0.00537   2.60717
   A65        2.38989  -0.00002  -0.00463   0.00032  -0.00432   2.38556
   A66        2.19616  -0.00003  -0.00589   0.00039  -0.00553   2.19063
   A67        0.85446  -0.00001   0.00258  -0.00023   0.00236   0.85682
   A68        1.23107   0.00000   0.00208  -0.00024   0.00185   1.23292
   A69        1.40975  -0.00001   0.00134  -0.00022   0.00111   1.41086
   A70        1.67864   0.00000   0.00311  -0.00035   0.00274   1.68137
   A71        1.52117   0.00001   0.00268  -0.00025   0.00243   1.52360
   A72        1.69592   0.00002  -0.02073   0.00063  -0.02013   1.67579
   A73        1.54088   0.00002  -0.01477   0.00023  -0.01456   1.52632
   A74        1.11385   0.00003  -0.01122   0.00010  -0.01119   1.10266
   A75        1.01330   0.00002  -0.01177  -0.00010  -0.01187   1.00144
   A76        1.77280   0.00001  -0.00640  -0.00021  -0.00659   1.76622
   A77        1.75868   0.00002  -0.00261   0.00005  -0.00255   1.75612
   A78        1.99260   0.00002   0.00176   0.00003   0.00179   1.99439
   A79        1.93669   0.00001  -0.00177   0.00025  -0.00152   1.93517
   A80        2.21600   0.00000  -0.00453   0.00041  -0.00412   2.21188
   A81        2.07450   0.00000  -0.00678   0.00040  -0.00639   2.06811
   A82        1.54917   0.00000  -0.00305   0.00034  -0.00272   1.54645
   A83        1.38336   0.00000  -0.00484   0.00041  -0.00445   1.37890
   A84        1.19920   0.00000   0.00179  -0.00004   0.00176   1.20095
   A85        1.38422   0.00000   0.00171  -0.00001   0.00170   1.38592
   A86        1.21621  -0.00001   0.00106   0.00006   0.00111   1.21732
   A87        1.31841  -0.00001   0.00393  -0.00016   0.00376   1.32217
   A88        1.81054   0.00000   0.00215  -0.00001   0.00214   1.81267
   A89        2.25793   0.00001  -0.02103   0.00030  -0.02073   2.23720
   A90        2.31245   0.00000  -0.01640   0.00009  -0.01633   2.29611
   A91        1.92295   0.00001  -0.01091  -0.00008  -0.01104   1.91191
   A92        1.85329   0.00000  -0.01358  -0.00011  -0.01367   1.83962
   A93        2.61308  -0.00001  -0.00842  -0.00024  -0.00860   2.60447
   A94        2.55114   0.00000  -0.00093   0.00011  -0.00076   2.55038
   A95        1.90916   0.00004   0.00369   0.00001   0.00370   1.91286
   A96        1.98888   0.00003   0.00023   0.00024   0.00046   1.98935
   A97        2.36545   0.00002  -0.00188   0.00036  -0.00151   2.36394
   A98        2.32112   0.00001  -0.00546   0.00040  -0.00506   2.31606
   A99        1.66101   0.00002  -0.00213   0.00038  -0.00175   1.65926
   A100       1.56859   0.00001  -0.00428   0.00045  -0.00385   1.56474
   A101       0.89264   0.00000   0.00137  -0.00004   0.00133   0.89397
   A102       1.06181   0.00000   0.00196  -0.00002   0.00194   1.06375
   A103       0.93034   0.00000   0.00200   0.00004   0.00203   0.93237
   A104       1.08749   0.00001   0.00505  -0.00017   0.00487   1.09236
   A105       1.48803   0.00000   0.00238  -0.00001   0.00236   1.49039
   A106       2.42797  -0.00001  -0.02391   0.00042  -0.02351   2.40446
   A107       2.31600  -0.00002  -0.01703   0.00013  -0.01690   2.29910
   A108       1.88495  -0.00001  -0.01440   0.00005  -0.01440   1.87055
   A109       1.72011  -0.00002  -0.01540  -0.00001  -0.01541   1.70469
   A110       2.45355  -0.00003  -0.00403  -0.00022  -0.00418   2.44937
   A111       2.28815  -0.00001   0.00145   0.00014   0.00161   2.28976
   A112       0.71377   0.00000  -0.00009   0.00004  -0.00005   0.71372
   A113       1.00531   0.00000  -0.00017   0.00003  -0.00014   1.00517
   A114       0.69514   0.00001   0.00027  -0.00002   0.00026   0.69540
   A115       0.98258   0.00001   0.00045  -0.00004   0.00042   0.98300
   A116       1.80512   0.00002   0.00113  -0.00002   0.00110   1.80622
   A117       1.42346   0.00001   0.00144  -0.00001   0.00143   1.42488
   A118       1.19059   0.00001   0.00149  -0.00001   0.00150   1.19210
   A119       0.91914   0.00001  -0.00051   0.00013  -0.00035   0.91878
   A120       1.24887   0.00000   0.00106   0.00003   0.00110   1.24997
   A121       1.94353  -0.00002   0.02005  -0.00045   0.01964   1.96317
   A122       1.97770  -0.00002   0.01462  -0.00012   0.01453   1.99223
   A123       2.32838  -0.00003   0.00661   0.00014   0.00682   2.33520
   A124       2.23516   0.00000   0.00774   0.00022   0.00794   2.24309
   A125       1.62322  -0.00001   0.01018   0.00017   0.01034   1.63356
   A126       1.49415  -0.00001   0.00777  -0.00005   0.00772   1.50187
   A127       0.65610  -0.00001  -0.00022  -0.00002  -0.00023   0.65587
   A128       0.66042   0.00000   0.00040  -0.00004   0.00038   0.66079
   A129       2.16895   0.00003   0.00009   0.00008   0.00018   2.16913
   A130       1.79580   0.00001   0.00056   0.00008   0.00065   1.79645
   A131       1.50335   0.00001  -0.00030   0.00015  -0.00012   1.50323
   A132       1.21245   0.00001  -0.00167   0.00025  -0.00140   1.21105
   A133       1.64192   0.00001   0.00124   0.00004   0.00128   1.64320
   A134       1.78973  -0.00002   0.02039  -0.00068   0.01977   1.80950
   A135       1.97754  -0.00001   0.01706  -0.00037   0.01672   1.99426
   A136       2.40534  -0.00002   0.01388  -0.00025   0.01369   2.41902
   A137       2.47404   0.00000   0.01420  -0.00006   0.01414   2.48818
   A138       1.73234   0.00000   0.01065  -0.00001   0.01065   1.74299
   A139       1.70228   0.00000   0.00821  -0.00028   0.00794   1.71022
   A140       0.70444   0.00000   0.00029  -0.00002   0.00027   0.70472
   A141       0.83267   0.00001   0.00039  -0.00001   0.00039   0.83306
   A142       2.49665   0.00002   0.00232  -0.00010   0.00222   2.49888
   A143       2.11628   0.00001   0.00247  -0.00007   0.00242   2.11869
   A144       1.89978   0.00001   0.00079   0.00008   0.00090   1.90068
   A145       1.61719   0.00001  -0.00122   0.00022  -0.00097   1.61622
   A146       1.83446   0.00001   0.00334  -0.00016   0.00319   1.83765
   A147       1.36388  -0.00001   0.02025  -0.00072   0.01959   1.38347
   A148       1.59081   0.00000   0.01710  -0.00047   0.01666   1.60747
   A149       2.02169  -0.00002   0.01579  -0.00042   0.01541   2.03709
   A150       2.19262   0.00000   0.01782  -0.00034   0.01747   2.21010
   A151       1.43518   0.00001   0.00980  -0.00016   0.00965   1.44483
   A152       1.50442   0.00000   0.00744  -0.00050   0.00695   1.51138
   A153       0.76559   0.00000  -0.00010  -0.00009  -0.00019   0.76539
   A154       0.76691   0.00000  -0.00007  -0.00008  -0.00015   0.76676
   A155       2.80821   0.00002   0.00157  -0.00004   0.00156   2.80977
   A156       2.42535   0.00001   0.00187  -0.00002   0.00187   2.42722
   A157       2.15843   0.00000  -0.00084   0.00015  -0.00064   2.15779
   A158       1.86632   0.00000  -0.00210   0.00024  -0.00183   1.86449
   A159       2.14500   0.00001   0.00373  -0.00015   0.00360   2.14860
   A160       1.22510   0.00000   0.01848  -0.00073   0.01780   1.24291
   A161       1.53812   0.00000   0.01617  -0.00049   0.01571   1.55384
   A162       1.93793  -0.00002   0.01714  -0.00051   0.01667   1.95460
   A163       2.19307   0.00000   0.01832  -0.00044   0.01791   2.21098
   A164       1.50715   0.00001   0.00837  -0.00019   0.00820   1.51535
   A165       1.65466   0.00001   0.00653  -0.00052   0.00602   1.66069
   A166       2.16032   0.00002  -0.00294   0.00032  -0.00261   2.15771
   A167       1.86175   0.00001  -0.00223   0.00029  -0.00192   1.85983
   A168       1.47732   0.00000  -0.00319   0.00037  -0.00279   1.47453
   A169       1.19832   0.00000  -0.00305   0.00034  -0.00267   1.19566
   A170       1.86898   0.00000  -0.00080   0.00020  -0.00058   1.86840
   A171       1.98991   0.00000   0.01794  -0.00082   0.01720   2.00711
   A172       2.28550   0.00000   0.01703  -0.00054   0.01652   2.30202
   A173       2.70275  -0.00002   0.01701  -0.00058   0.01647   2.71922
   A174       2.11981   0.00001   0.01070  -0.00011   0.01060   2.13042
   A175       2.10981   0.00001   0.00849  -0.00032   0.00818   2.11799
   A176       2.26861   0.00001  -0.00452   0.00040  -0.00411   2.26449
   A177       2.04942   0.00000  -0.00352   0.00035  -0.00316   2.04626
   A178       1.64041  -0.00001  -0.00446   0.00041  -0.00401   1.63640
   A179       1.38913  -0.00001  -0.00333   0.00032  -0.00297   1.38616
   A180       2.13492   0.00000  -0.00138   0.00022  -0.00113   2.13380
   A181       1.91735   0.00001   0.01385  -0.00079   0.01316   1.93051
   A182       2.28292   0.00001   0.01429  -0.00059   0.01376   2.29667
   A183       2.60300   0.00000   0.01450  -0.00068   0.01389   2.61689
   A184       2.25785   0.00002   0.00943  -0.00022   0.00925   2.26709
   A185       2.32766   0.00001   0.00826  -0.00045   0.00784   2.33550
   A186       0.69150   0.00002   0.00030  -0.00005   0.00022   0.69173
   A187       0.98175   0.00002   0.00093  -0.00009   0.00081   0.98256
   A188       0.70049   0.00001  -0.00008  -0.00001  -0.00010   0.70039
   A189       2.09686  -0.00002  -0.01020   0.00040  -0.00979   2.08707
   A190       1.72562  -0.00002  -0.00829   0.00017  -0.00813   1.71749
   A191       1.39128   0.00000  -0.01259   0.00030  -0.01232   1.37896
   A192       1.08881  -0.00001  -0.01162   0.00020  -0.01147   1.07735
   A193       1.62364  -0.00002   0.00057  -0.00012   0.00043   1.62407
   A194       1.40389   0.00000   0.00184   0.00018   0.00201   1.40591
   A195       0.66613   0.00001   0.00046  -0.00002   0.00041   0.66655
   A196       2.24963  -0.00001  -0.00157   0.00022  -0.00129   2.24834
   A197       1.85562  -0.00001  -0.00281   0.00010  -0.00269   1.85293
   A198       1.62996   0.00001  -0.01052   0.00032  -0.01022   1.61975
   A199       1.31064   0.00001  -0.00815   0.00024  -0.00797   1.30267
   A200       1.61378  -0.00001   0.00494  -0.00009   0.00484   1.61862
   A201       1.34035   0.00000   0.00527   0.00015   0.00540   1.34575
   A202       0.70915   0.00001   0.00134  -0.00004   0.00129   0.71044
   A203       2.63730   0.00000   0.00389   0.00005   0.00413   2.64143
   A204       2.25235   0.00000   0.00005   0.00002   0.00011   2.25246
   A205       2.03978   0.00001  -0.01027   0.00026  -0.01003   2.02975
   A206       1.72103   0.00002  -0.00801   0.00018  -0.00789   1.71314
   A207       1.95208   0.00000   0.00813  -0.00011   0.00800   1.96008
   A208       1.66474   0.00001   0.00785   0.00006   0.00789   1.67263
   A209       0.83466   0.00001  -0.00055   0.00012  -0.00045   0.83421
   A210       2.68616   0.00000   0.01302  -0.00003   0.01309   2.69926
   A211       2.38390   0.00000   0.00341   0.00015   0.00358   2.38748
   A212       2.28351   0.00002  -0.00927   0.00035  -0.00895   2.27456
   A213       1.96641   0.00002  -0.00668   0.00027  -0.00650   1.95991
   A214       2.00879   0.00001   0.00783   0.00016   0.00795   2.01674
   A215       1.72813   0.00001   0.00668   0.00022   0.00687   1.73500
   A216       1.93167  -0.00001   0.00517   0.00004   0.00523   1.93691
   A217       1.56346   0.00000   0.00183   0.00003   0.00186   1.56532
   A218       1.48290   0.00000  -0.00651   0.00029  -0.00622   1.47668
   A219       1.18894   0.00001  -0.00259   0.00023  -0.00244   1.18651
   A220       1.24349  -0.00001   0.00658  -0.00007   0.00649   1.24998
   A221       0.95718   0.00001   0.00623   0.00010   0.00632   0.96350
   A222       0.71695  -0.00001  -0.00009   0.00019   0.00004   0.71699
   A223       1.00829  -0.00001   0.00128   0.00021   0.00150   1.00979
   A224       0.69750   0.00000   0.00080  -0.00001   0.00077   0.69827
   A225       0.98509  -0.00001   0.00116  -0.00012   0.00101   0.98610
   A226       0.65677  -0.00001   0.00231   0.00004   0.00235   0.65912
   A227       0.66631  -0.00001  -0.00052  -0.00007  -0.00062   0.66569
   A228       0.71008  -0.00002  -0.00140  -0.00008  -0.00151   0.70857
   A229       0.84725  -0.00002  -0.00393   0.00023  -0.00373   0.84352
   A230       0.76293  -0.00001   0.00698  -0.00015   0.00676   0.76969
   A231       0.77398   0.00000   0.00502   0.00024   0.00515   0.77914
   A232       1.57601   0.00017   0.00646   0.00061   0.00707   1.58308
   A233       1.87511  -0.00007  -0.00592  -0.00033  -0.00625   1.86886
   A234       2.18944   0.00007   0.00040   0.00007   0.00047   2.18992
   A235       2.12927  -0.00004   0.00006  -0.00002   0.00005   2.12931
   A236       1.96412  -0.00003  -0.00046  -0.00005  -0.00052   1.96360
   A237       2.12321   0.00004   0.00084  -0.00002   0.00082   2.12404
   A238       2.12599   0.00002   0.00047  -0.00005   0.00041   2.12640
   A239       2.03316  -0.00006  -0.00124   0.00010  -0.00114   2.03202
   A240       1.83660   0.00002  -0.00467  -0.00054  -0.00521   1.83139
   A241       2.53752  -0.00002   0.00452   0.00051   0.00503   2.54255
   A242       1.91317  -0.00001   0.00068   0.00001   0.00068   1.91385
   A243       1.91678   0.00001  -0.00103   0.00000  -0.00102   1.91576
   A244       1.91724  -0.00001  -0.00070  -0.00002  -0.00072   1.91652
   A245       1.90941   0.00002   0.00080   0.00005   0.00085   1.91026
   A246       1.90846   0.00000   0.00015   0.00003   0.00018   1.90864
   A247       1.89866  -0.00001   0.00012  -0.00007   0.00004   1.89870
   A248       1.28049   0.00003   0.00123  -0.00035   0.00087   1.28136
   A249       1.90628  -0.00007  -0.00130   0.00002  -0.00128   1.90500
   A250       1.90936  -0.00001   0.00025  -0.00003   0.00021   1.90957
   A251       1.92697   0.00003   0.00047   0.00007   0.00054   1.92751
   A252       1.91027   0.00005   0.00060  -0.00007   0.00054   1.91082
   A253       1.89789   0.00001  -0.00007   0.00006  -0.00001   1.89788
   A254       1.91294  -0.00001   0.00004  -0.00005  -0.00001   1.91293
   A255       1.71858   0.00004   0.00290  -0.00034   0.00256   1.72114
   A256       1.77070  -0.00006  -0.00349   0.00023  -0.00327   1.76743
   A257       2.19050   0.00003   0.00037  -0.00001   0.00036   2.19085
   A258       2.13010   0.00000  -0.00017   0.00001  -0.00017   2.12993
   A259       1.96240  -0.00003  -0.00021   0.00000  -0.00020   1.96220
   A260       2.12496  -0.00001  -0.00035   0.00000  -0.00034   2.12462
   A261       2.12339   0.00000   0.00004  -0.00001   0.00004   2.12344
   A262       2.03457   0.00001   0.00031   0.00000   0.00029   2.03487
   A263       1.35031  -0.00001  -0.00180  -0.00040  -0.00220   1.34812
   A264       1.90058  -0.00001  -0.00042  -0.00001  -0.00043   1.90015
   A265       1.93108   0.00001   0.00047  -0.00001   0.00046   1.93154
   A266       1.91028  -0.00001  -0.00022  -0.00001  -0.00024   1.91005
   A267       1.89717   0.00000   0.00037   0.00001   0.00038   1.89755
   A268       1.91321   0.00000  -0.00018   0.00001  -0.00016   1.91305
   A269       1.91138   0.00001  -0.00003   0.00001  -0.00001   1.91137
   A270       2.66529   0.00002   0.00094  -0.00015   0.00079   2.66608
   A271       1.69806  -0.00001  -0.00089   0.00017  -0.00072   1.69734
   A272       1.92454  -0.00001   0.00017  -0.00001   0.00016   1.92470
   A273       1.91255   0.00001   0.00052  -0.00003   0.00052   1.91307
   A274       1.91357   0.00001  -0.00007   0.00001  -0.00007   1.91350
   A275       1.89429   0.00002   0.00004   0.00000   0.00002   1.89432
   A276       1.91122  -0.00001  -0.00019   0.00001  -0.00019   1.91103
   A277       1.90749  -0.00002  -0.00047   0.00003  -0.00046   1.90703
   A278       1.79562   0.00007   0.00852  -0.00047   0.00804   1.80365
   A279       1.75979  -0.00007  -0.00602   0.00048  -0.00554   1.75425
   A280       2.18966   0.00004  -0.00017  -0.00004  -0.00022   2.18943
   A281       2.13045   0.00000   0.00031   0.00000   0.00030   2.13075
   A282       1.96300  -0.00004  -0.00014   0.00005  -0.00008   1.96293
   A283       2.12325   0.00000  -0.00062   0.00001  -0.00064   2.12261
   A284       2.11650  -0.00001  -0.00083  -0.00003  -0.00086   2.11564
   A285       2.04081   0.00001   0.00131   0.00003   0.00136   2.04218
   A286       2.68770   0.00008   0.01180  -0.00081   0.01098   2.69868
   A287       1.67100  -0.00005  -0.01082   0.00076  -0.01006   1.66094
   A288       1.92542   0.00001   0.00091  -0.00006   0.00084   1.92626
   A289       1.91505   0.00002   0.00017   0.00006   0.00021   1.91526
   A290       1.91302  -0.00001  -0.00081   0.00004  -0.00074   1.91228
   A291       1.89041   0.00003   0.00087  -0.00008   0.00080   1.89121
   A292       1.91338  -0.00003  -0.00082   0.00004  -0.00077   1.91261
   A293       1.90632  -0.00002  -0.00032  -0.00001  -0.00033   1.90599
   A294       1.36131  -0.00002  -0.00991  -0.00009  -0.01001   1.35130
   A295       1.14573   0.00003   0.00730  -0.00005   0.00726   1.15299
   A296       1.93148   0.00000   0.00116  -0.00005   0.00109   1.93257
   A297       1.90725  -0.00003  -0.00039   0.00001  -0.00037   1.90688
   A298       1.90265   0.00001  -0.00098   0.00005  -0.00090   1.90176
   A299       1.90993   0.00002  -0.00030   0.00003  -0.00027   1.90966
   A300       1.89709  -0.00001   0.00131  -0.00002   0.00128   1.89838
   A301       1.91537   0.00000  -0.00082  -0.00001  -0.00085   1.91452
   A302       1.71836  -0.00010  -0.00260  -0.00142  -0.00404   1.71432
   A303       1.77656  -0.00006  -0.00584   0.00071  -0.00513   1.77143
   A304       2.19084  -0.00005   0.00131  -0.00016   0.00118   2.19202
   A305       2.12988   0.00005   0.00019   0.00010   0.00030   2.13018
   A306       1.96222   0.00000  -0.00152   0.00006  -0.00150   1.96072
   A307       2.12180   0.00001   0.00265  -0.00003   0.00253   2.12433
   A308       2.12314   0.00000  -0.00125   0.00005  -0.00112   2.12202
   A309       2.03784  -0.00001  -0.00165  -0.00005  -0.00168   2.03616
   A310       1.30157   0.00011   0.04443  -0.00074   0.04350   1.34506
   A311       3.05534   0.00004  -0.04511   0.00055  -0.04442   3.01091
   A312       1.90875   0.00006  -0.00022  -0.00002  -0.00009   1.90866
   A313       1.93140   0.00000  -0.00118  -0.00012   0.00011   1.93151
   A314       1.89960   0.00004   0.00321   0.00004   0.00336   1.90297
   A315       1.91336  -0.00014  -0.00084   0.00006  -0.00140   1.91196
   A316       1.91106   0.00001   0.00093  -0.00001   0.00065   1.91170
   A317       1.89950   0.00004  -0.00187   0.00005  -0.00260   1.89690
   A318       1.73274   0.00000  -0.01212   0.00169  -0.01043   1.72231
   A319       1.91357  -0.00001   0.00011   0.00004   0.00015   1.91372
   A320       1.91421   0.00008   0.00033  -0.00005   0.00027   1.91448
   A321       1.92429  -0.00002   0.00025  -0.00007   0.00018   1.92447
   A322       1.90554  -0.00002  -0.00037   0.00005  -0.00033   1.90522
   A323       1.91113  -0.00001   0.00008   0.00001   0.00009   1.91122
   A324       1.89489  -0.00001  -0.00042   0.00002  -0.00038   1.89452
   A325       2.93650  -0.00002  -0.00662   0.00045  -0.00618   2.93032
   A326       3.35880  -0.00001  -0.00856  -0.00015  -0.00870   3.35010
   A327       3.07765  -0.00001  -0.00920  -0.00011  -0.00931   3.06834
   A328       3.19343   0.00002   0.00127  -0.00040   0.00087   3.19430
   A329       3.26169   0.00000  -0.00183  -0.00038  -0.00221   3.25948
   A330       3.27124   0.00000  -0.01021  -0.00006  -0.01028   3.26096
   A331       3.64387  -0.00001  -0.01204   0.00170  -0.01033   3.63354
   A332       3.21317   0.00000  -0.00206   0.00013  -0.00193   3.21124
   A333       2.99318  -0.00001   0.01549  -0.00052   0.01499   3.00817
   A334       2.92731   0.00000   0.01742  -0.00059   0.01684   2.94415
   A335       3.22939   0.00003   0.00028  -0.00059  -0.00031   3.22909
   A336       3.07860   0.00000   0.00109   0.00008   0.00117   3.07977
   A337       3.09927   0.00003   0.00432  -0.00012   0.00419   3.10346
   A338       3.03912   0.00002  -0.00142   0.00009  -0.00136   3.03776
    D1        2.76094   0.00001  -0.00190  -0.00008  -0.00198   2.75896
    D2       -1.36061   0.00001  -0.00067   0.00006  -0.00062  -1.36123
    D3        2.78752   0.00000  -0.00477  -0.00034  -0.00511   2.78241
    D4       -1.33404   0.00000  -0.00354  -0.00019  -0.00374  -1.33778
    D5        1.66619   0.00001  -0.00195  -0.00019  -0.00215   1.66404
    D6       -2.45536   0.00001  -0.00073  -0.00005  -0.00078  -2.45614
    D7        1.84774   0.00003  -0.00177  -0.00018  -0.00195   1.84579
    D8       -2.27381   0.00003  -0.00054  -0.00004  -0.00059  -2.27440
    D9        0.33100   0.00000  -0.00864  -0.00012  -0.00876   0.32224
   D10        2.49264   0.00000  -0.00741   0.00002  -0.00740   2.48524
   D11        0.04413   0.00000  -0.00432  -0.00037  -0.00470   0.03943
   D12        2.20576   0.00000  -0.00309  -0.00023  -0.00333   2.20243
   D13       -0.42565   0.00000  -0.00271  -0.00047  -0.00318  -0.42883
   D14        1.73598   0.00000  -0.00148  -0.00032  -0.00181   1.73417
   D15       -0.54675   0.00000  -0.00116  -0.00047  -0.00163  -0.54838
   D16        1.61488   0.00000   0.00007  -0.00033  -0.00027   1.61462
   D17        0.22220   0.00000  -0.00156  -0.00055  -0.00212   0.22008
   D18        2.38383   0.00000  -0.00034  -0.00041  -0.00075   2.38308
   D19        0.15634   0.00000   0.00037  -0.00062  -0.00026   0.15607
   D20        2.31797   0.00000   0.00159  -0.00048   0.00110   2.31907
   D21        2.41037   0.00001  -0.00489  -0.00019  -0.00508   2.40529
   D22       -1.71118   0.00001  -0.00366  -0.00005  -0.00371  -1.71489
   D23        2.16613   0.00000  -0.00562  -0.00015  -0.00576   2.16037
   D24       -1.95542   0.00000  -0.00439  -0.00001  -0.00440  -1.95981
   D25        1.72506  -0.00001  -0.00642  -0.00010  -0.00649   1.71857
   D26       -2.39649   0.00000  -0.00519   0.00004  -0.00513  -2.40162
   D27        1.41851  -0.00001  -0.00718  -0.00008  -0.00722   1.41129
   D28       -2.70304  -0.00001  -0.00596   0.00006  -0.00585  -2.70890
   D29        2.37542  -0.00002  -0.00575  -0.00007  -0.00582   2.36960
   D30       -1.74613  -0.00002  -0.00452   0.00007  -0.00445  -1.75058
   D31       -1.76895   0.00000  -0.01810   0.00025  -0.01786  -1.78681
   D32        0.39269   0.00000  -0.01688   0.00039  -0.01650   0.37619
   D33       -2.10796   0.00000  -0.01500  -0.00003  -0.01504  -2.12300
   D34        0.05367   0.00000  -0.01378   0.00011  -0.01367   0.04000
   D35       -2.48587   0.00001  -0.01803   0.00007  -0.01800  -2.50387
   D36       -0.32424   0.00002  -0.01681   0.00021  -0.01663  -0.34087
   D37       -2.77098   0.00001  -0.01705  -0.00002  -0.01710  -2.78808
   D38       -0.60935   0.00001  -0.01582   0.00012  -0.01574  -0.62508
   D39       -2.12146  -0.00002  -0.00485  -0.00044  -0.00527  -2.12673
   D40        0.04017  -0.00002  -0.00362  -0.00030  -0.00391   0.03626
   D41       -2.37335  -0.00001   0.00066  -0.00001   0.00069  -2.37265
   D42       -0.21171  -0.00001   0.00188   0.00013   0.00206  -0.20965
   D43        1.25634   0.00002   0.00473   0.00035   0.00508   1.26142
   D44       -1.93105   0.00002   0.00452   0.00060   0.00512  -1.92593
   D45        2.45349   0.00000   0.00380   0.00019   0.00399   2.45748
   D46       -0.73390  -0.00001   0.00359   0.00044   0.00403  -0.72987
   D47        2.93998   0.00001   0.00385   0.00018   0.00403   2.94400
   D48       -0.24741   0.00001   0.00365   0.00042   0.00407  -0.24334
   D49        2.86190   0.00002  -0.00489   0.00055  -0.00433   2.85757
   D50       -0.32549   0.00002  -0.00509   0.00079  -0.00429  -0.32978
   D51        2.05372   0.00000  -0.00320   0.00014  -0.00310   2.05062
   D52       -1.13367   0.00000  -0.00341   0.00039  -0.00305  -1.13673
   D53        1.16731   0.00001   0.00403  -0.00046   0.00358   1.17088
   D54       -2.02009   0.00001   0.00383  -0.00021   0.00362  -2.01646
   D55        1.02232   0.00001   0.00726  -0.00027   0.00701   1.02933
   D56       -2.16507   0.00001   0.00706  -0.00002   0.00705  -2.15802
   D57        2.02340   0.00001   0.00319  -0.00006   0.00311   2.02651
   D58       -1.16399   0.00001   0.00299   0.00018   0.00315  -1.16084
   D59        1.82853   0.00001   0.00537  -0.00010   0.00524   1.83377
   D60       -1.35887   0.00001   0.00516   0.00014   0.00528  -1.35358
   D61       -2.27632   0.00002   0.00237   0.00020   0.00257  -2.27375
   D62        0.81947   0.00002   0.00216   0.00045   0.00261   0.82208
   D63       -2.41313   0.00001   0.00249   0.00027   0.00276  -2.41037
   D64        0.68267   0.00001   0.00229   0.00052   0.00280   0.68547
   D65       -2.81499   0.00000   0.00162   0.00035   0.00198  -2.81301
   D66        0.28081  -0.00001   0.00142   0.00059   0.00202   0.28283
   D67       -2.99410  -0.00001   0.00278   0.00025   0.00305  -2.99105
   D68        0.10169  -0.00001   0.00257   0.00050   0.00309   0.10479
   D69       -2.13854   0.00000   0.00306   0.00034   0.00339  -2.13515
   D70        0.95726   0.00000   0.00285   0.00059   0.00343   0.96069
   D71       -0.16966   0.00000   0.00263   0.00046   0.00310  -0.16656
   D72        2.92613   0.00000   0.00243   0.00071   0.00314   2.92927
   D73       -0.56227   0.00000   0.00145   0.00037   0.00185  -0.56042
   D74        2.53352   0.00000   0.00125   0.00061   0.00189   2.53541
   D75       -0.73888   0.00001  -0.00847   0.00066  -0.00778  -0.74666
   D76        2.35691   0.00001  -0.00867   0.00091  -0.00774   2.34918
   D77       -1.07775   0.00002  -0.00722   0.00056  -0.00668  -1.08443
   D78        2.01804   0.00002  -0.00742   0.00081  -0.00664   2.01141
   D79       -0.84044  -0.00001   0.01009   0.00018   0.01028  -0.83015
   D80        2.25536  -0.00001   0.00989   0.00043   0.01033   2.26568
   D81       -1.14840   0.00000   0.01124   0.00040   0.01164  -1.13676
   D82        1.94739   0.00000   0.01103   0.00065   0.01168   1.95907
   D83       -1.53382   0.00001  -0.00019  -0.00024  -0.00043  -1.53425
   D84       -2.60805  -0.00001  -0.00104  -0.00031  -0.00134  -2.60939
   D85       -2.94408   0.00001  -0.00302  -0.00049  -0.00350  -2.94759
   D86        0.73881   0.00000  -0.00617  -0.00016  -0.00632   0.73248
   D87        0.31605  -0.00001  -0.00563  -0.00024  -0.00587   0.31018
   D88       -0.05768  -0.00001  -0.00757  -0.00018  -0.00777  -0.06545
   D89       -0.39493   0.00000  -0.00501  -0.00030  -0.00532  -0.40025
   D90        0.18712   0.00000  -0.00240  -0.00042  -0.00283   0.18429
   D91       -0.05079   0.00000  -0.00146  -0.00042  -0.00191  -0.05270
   D92        2.40802   0.00002  -0.00474  -0.00021  -0.00495   2.40307
   D93        2.05851   0.00000  -0.00420  -0.00019  -0.00438   2.05413
   D94        1.66624   0.00000  -0.00466  -0.00015  -0.00478   1.66146
   D95        1.37855  -0.00001  -0.00445  -0.00017  -0.00457   1.37398
   D96        2.05970   0.00000  -0.00388  -0.00013  -0.00400   2.05570
   D97       -1.91745   0.00000  -0.01443   0.00025  -0.01430  -1.93175
   D98       -2.43733  -0.00001  -0.00654  -0.00006  -0.00658  -2.44391
   D99       -2.65913   0.00001  -0.01285   0.00017  -0.01269  -2.67182
   D100      -2.98739   0.00001  -0.00836   0.00010  -0.00831  -2.99570
   D101      -2.89270  -0.00001   0.01380  -0.00024   0.01366  -2.87903
   D102       2.85506   0.00001   0.01413  -0.00005   0.01405   2.86911
   D103      -2.90498  -0.00001   0.01157  -0.00074   0.01083  -2.89415
   D104       1.19174  -0.00001   0.01187  -0.00070   0.01117   1.20291
   D105       2.80633   0.00001   0.01328  -0.00079   0.01248   2.81881
   D106       0.61987   0.00002   0.01358  -0.00076   0.01283   0.63269
   D107       2.30966  -0.00002   0.01525  -0.00096   0.01427   2.32393
   D108       0.12319  -0.00001   0.01556  -0.00092   0.01462   0.13781
   D109       1.75390   0.00002   0.01220  -0.00089   0.01130   1.76520
   D110      -0.43256   0.00003   0.01250  -0.00085   0.01164  -0.42092
   D111       2.58984   0.00000   0.00966  -0.00070   0.00896   2.59881
   D112       0.40338   0.00000   0.00997  -0.00066   0.00931   0.41268
   D113       2.25350  -0.00001   0.00892  -0.00070   0.00822   2.26172
   D114       0.06703   0.00000   0.00923  -0.00066   0.00856   0.07560
   D115      -1.61198  -0.00002   0.00085  -0.00011   0.00074  -1.61124
   D116       2.48474  -0.00001   0.00116  -0.00008   0.00108   2.48582
   D117      -1.77371  -0.00001   0.00050  -0.00023   0.00027  -1.77344
   D118       2.32302  -0.00001   0.00081  -0.00019   0.00061   2.32363
   D119      -2.73522  -0.00001   0.00047  -0.00006   0.00041  -2.73481
   D120       1.36150  -0.00001   0.00078  -0.00003   0.00075   1.36226
   D121      -2.69870  -0.00002   0.00066  -0.00013   0.00053  -2.69817
   D122       1.39802  -0.00001   0.00097  -0.00010   0.00087   1.39889
   D123       1.32589  -0.00001   0.00705  -0.00065   0.00640   1.33229
   D124      -0.86057  -0.00001   0.00735  -0.00061   0.00674  -0.85383
   D125       1.29466   0.00000   0.00749  -0.00067   0.00682   1.30148
   D126      -0.89180   0.00000   0.00780  -0.00063   0.00716  -0.88464
   D127       1.64907   0.00001   0.00839  -0.00074   0.00764   1.65671
   D128      -0.53739   0.00002   0.00870  -0.00070   0.00798  -0.52941
   D129       1.77580   0.00002   0.00573  -0.00054   0.00516   1.78096
   D130      -0.41066   0.00002   0.00604  -0.00050   0.00550  -0.40516
   D131       0.89403   0.00001   0.00729  -0.00069   0.00659   0.90062
   D132      -1.29243   0.00001   0.00759  -0.00066   0.00694  -1.28550
   D133      -0.94938   0.00001   0.00584  -0.00084   0.00505  -0.94433
   D134      -3.13584   0.00001   0.00615  -0.00081   0.00539  -3.13045
   D135      -0.52402   0.00000   0.01055  -0.00078   0.00977  -0.51425
   D136      -2.71048   0.00001   0.01085  -0.00075   0.01011  -2.70037
   D137      -0.21800  -0.00002   0.02223  -0.00107   0.02115  -0.19686
   D138      -2.40447  -0.00002   0.02254  -0.00104   0.02149  -2.38298
   D139       0.18674  -0.00002   0.02191  -0.00087   0.02106   0.20780
   D140      -1.99972  -0.00001   0.02222  -0.00083   0.02140  -1.97832
   D141      -0.31186   0.00001   0.00388  -0.00056   0.00335  -0.30850
   D142      -2.49832   0.00001   0.00419  -0.00052   0.00369  -2.49462
   D143      -0.05412   0.00000   0.00327  -0.00082   0.00246  -0.05166
   D144      -2.24058   0.00000   0.00358  -0.00079   0.00280  -2.23778
   D145      -2.47393  -0.00002   0.00479  -0.00013   0.00465  -2.46928
   D146      -2.72702   0.00000   0.00707  -0.00006   0.00701  -2.72002
   D147      -2.41296   0.00000   0.00510   0.00043   0.00551  -2.40745
   D148       3.00211   0.00001   0.00925  -0.00025   0.00901   3.01112
   D149       2.61910   0.00002   0.01242  -0.00041   0.01201   2.63111
   D150       1.51775  -0.00002   0.00074   0.00016   0.00090   1.51865
   D151       2.61862   0.00000   0.00107   0.00011   0.00118   2.61980
   D152       2.99295  -0.00001   0.00117   0.00007   0.00125   2.99420
   D153       1.18425  -0.00002   0.01018  -0.00069   0.00947   1.19372
   D154       1.24502   0.00000   0.00804  -0.00048   0.00755   1.25256
   D155       1.63495   0.00001   0.00825  -0.00045   0.00778   1.64274
   D156       1.71296   0.00001   0.00449  -0.00015   0.00432   1.71728
   D157       0.89495   0.00000   0.00612  -0.00038   0.00573   0.90068
   D158      -0.99845   0.00001  -0.00339  -0.00028  -0.00364  -1.00209
   D159      -0.67365   0.00001  -0.00056  -0.00027  -0.00082  -0.67447
   D160      -0.70553   0.00000   0.00740  -0.00051   0.00688  -0.69865
   D161      -0.39059  -0.00002   0.00582  -0.00053   0.00536  -0.38522
   D162      -0.29369   0.00001  -0.00345  -0.00029  -0.00372  -0.29740
   D163      -0.01257   0.00000  -0.00255  -0.00034  -0.00288  -0.01545
   D164      -1.28860  -0.00002   0.00882  -0.00062   0.00818  -1.28041
   D165       1.66378  -0.00002   0.00716  -0.00036   0.00679   1.67056
   D166      -1.66111   0.00000   0.00941  -0.00057   0.00883  -1.65228
   D167       1.29126   0.00000   0.00776  -0.00031   0.00743   1.29870
   D168      -1.74159  -0.00001   0.00957  -0.00044   0.00913  -1.73246
   D169       1.21079  -0.00001   0.00792  -0.00019   0.00773   1.21852
   D170      -1.99840   0.00001   0.00849  -0.00070   0.00779  -1.99061
   D171       0.95398   0.00001   0.00683  -0.00044   0.00639   0.96037
   D172      -2.00973   0.00000   0.00922  -0.00062   0.00859  -2.00114
   D173       0.94265   0.00000   0.00756  -0.00036   0.00719   0.94984
   D174      -2.31305   0.00001   0.00975  -0.00061   0.00913  -2.30392
   D175       0.63932   0.00001   0.00810  -0.00035   0.00773   0.64706
   D176       1.97477  -0.00002   0.00115  -0.00014   0.00100   1.97578
   D177      -1.35604  -0.00002  -0.00051   0.00012  -0.00039  -1.35643
   D178       0.82820  -0.00001   0.00174  -0.00024   0.00150   0.82971
   D179      -2.50261  -0.00001   0.00009   0.00002   0.00010  -2.50250
   D180       0.36373   0.00000   0.00165  -0.00032   0.00131   0.36505
   D181      -2.96708   0.00000  -0.00001  -0.00006  -0.00008  -2.96716
   D182      -3.11217   0.00001   0.00822  -0.00071   0.00750  -3.10467
   D183      -0.15980   0.00001   0.00656  -0.00045   0.00610  -0.15370
   D184       2.90418   0.00000   0.00818  -0.00069   0.00749   2.91167
   D185      -0.42664   0.00000   0.00653  -0.00043   0.00609  -0.42054
   D186       3.05680   0.00001   0.00790  -0.00065   0.00725   3.06405
   D187      -0.27401   0.00001   0.00624  -0.00039   0.00585  -0.26816
   D188       2.96538   0.00001   0.00401  -0.00034   0.00366   2.96904
   D189      -0.36543   0.00001   0.00235  -0.00008   0.00226  -0.36317
   D190       2.45842   0.00000   0.00796  -0.00073   0.00723   2.46564
   D191      -0.87239   0.00000   0.00630  -0.00047   0.00583  -0.86656
   D192       0.31561   0.00001  -0.01021  -0.00038  -0.01052   0.30508
   D193      -3.01520   0.00001  -0.01187  -0.00012  -0.01192  -3.02713
   D194       0.62818   0.00000  -0.00348  -0.00066  -0.00409   0.62408
   D195      -2.70264   0.00000  -0.00514  -0.00040  -0.00549  -2.70813
   D196       0.43348   0.00001   0.00406  -0.00122   0.00279   0.43627
   D197      -2.89733   0.00001   0.00241  -0.00096   0.00140  -2.89594
   D198       1.09536   0.00001  -0.00144  -0.00073  -0.00214   1.09323
   D199      -2.23545   0.00001  -0.00309  -0.00048  -0.00353  -2.23898
   D200       1.43227   0.00000   0.00112  -0.00095   0.00018   1.43245
   D201      -1.89854   0.00000  -0.00053  -0.00069  -0.00122  -1.89976
   D202       1.60418   0.00001   0.00546  -0.00023   0.00522   1.60941
   D203      -0.60788   0.00001   0.00424  -0.00025   0.00399  -0.60389
   D204       1.67740   0.00001   0.00414  -0.00027   0.00388   1.68128
   D205      -0.53466   0.00001   0.00293  -0.00028   0.00265  -0.53202
   D206       1.35904   0.00001   0.00380  -0.00034   0.00347   1.36250
   D207      -0.85303   0.00001   0.00258  -0.00035   0.00223  -0.85079
   D208       1.19400   0.00003   0.00613  -0.00020   0.00593   1.19993
   D209      -1.01806   0.00003   0.00491  -0.00021   0.00470  -1.01336
   D210       2.10912   0.00000   0.00305  -0.00025   0.00280   2.11192
   D211      -0.10294   0.00000   0.00183  -0.00026   0.00157  -0.10137
   D212       2.22753  -0.00002   0.00085  -0.00024   0.00061   2.22814
   D213       0.01547  -0.00002  -0.00037  -0.00025  -0.00062   0.01484
   D214      -2.23637   0.00001   0.00478  -0.00021   0.00456  -2.23181
   D215       1.83475   0.00002   0.00356  -0.00022   0.00333   1.83808
   D216      -2.40282   0.00001   0.00195   0.00001   0.00196  -2.40086
   D217       1.66830   0.00001   0.00073   0.00000   0.00073   1.66903
   D218      -2.01422   0.00001  -0.00135   0.00035  -0.00099  -2.01520
   D219       2.05690   0.00002  -0.00257   0.00034  -0.00222   2.05469
   D220      -2.12784   0.00001  -0.01181   0.00087  -0.01090  -2.13874
   D221       1.94328   0.00002  -0.01303   0.00086  -0.01213   1.93115
   D222      -2.89602  -0.00001   0.00218  -0.00002   0.00215  -2.89387
   D223       1.17510  -0.00001   0.00096  -0.00003   0.00092   1.17602
   D224       3.05159  -0.00001   0.00210  -0.00003   0.00203   3.05362
   D225       0.83953  -0.00001   0.00088  -0.00004   0.00080   0.84032
   D226      -2.71713  -0.00002   0.00256  -0.00010   0.00245  -2.71468
   D227       1.35399  -0.00001   0.00134  -0.00011   0.00122   1.35521
   D228      -2.66525  -0.00001   0.00649  -0.00039   0.00610  -2.65915
   D229       1.40587  -0.00001   0.00527  -0.00040   0.00487   1.41074
   D230      -1.57273  -0.00002   0.00472  -0.00011   0.00461  -1.56813
   D231       2.49839  -0.00002   0.00350  -0.00013   0.00337   2.50176
   D232      -0.05721  -0.00001   0.02565  -0.00055   0.02517  -0.03204
   D233      -2.26927  -0.00001   0.02443  -0.00056   0.02394  -2.24533
   D234      -0.19985   0.00000   0.01786  -0.00029   0.01760  -0.18225
   D235      -2.41192   0.00000   0.01664  -0.00030   0.01637  -2.39555
   D236       0.07497  -0.00001   0.00965  -0.00001   0.00966   0.08464
   D237      -2.13709  -0.00001   0.00843  -0.00003   0.00843  -2.12866
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   D239      -2.24597   0.00000   0.01296   0.00002   0.01290  -2.23307
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   D244      -2.93653   0.00001   0.00110   0.00003   0.00113  -2.93540
   D245      -0.01408   0.00001   0.00004   0.00014   0.00018  -0.01391
   D246      -3.12482   0.00001  -0.00036   0.00003  -0.00032  -3.12514
   D247      -0.20237   0.00001  -0.00142   0.00014  -0.00127  -0.20364
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   D249      -0.58535   0.00000  -0.00187   0.00009  -0.00177  -0.58712
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   D251      -0.82190   0.00002  -0.00111   0.00015  -0.00095  -0.82285
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   D275      -2.22105   0.00000   0.01735   0.00004   0.01743  -2.20362
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   D277      -1.76977  -0.00001   0.00617   0.00034   0.00660  -1.76317
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   D279      -1.79021   0.00001   0.00851   0.00038   0.00888  -1.78134
   D280       0.81356   0.00001   0.00720   0.00034   0.00753   0.82109
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   D282       0.79238   0.00001   0.00366   0.00002   0.00368   0.79606
   D283      -2.56836   0.00001   0.00260   0.00013   0.00273  -2.56563
   D284       1.57361   0.00003   0.00675  -0.00022   0.00653   1.58013
   D285      -2.64345   0.00002   0.00838  -0.00015   0.00823  -2.63522
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   D287      -2.57878   0.00001   0.00675  -0.00014   0.00661  -2.57216
   D288       1.32944   0.00001   0.00411  -0.00022   0.00389   1.33333
   D289      -2.88762   0.00001   0.00574  -0.00015   0.00560  -2.88202
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   D291      -2.97713   0.00002   0.00751   0.00003   0.00754  -2.96958
   D292       2.03603   0.00000   0.00457  -0.00017   0.00440   2.04042
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   D294       2.01876  -0.00002   0.00322  -0.00014   0.00308   2.02184
   D295      -2.19830  -0.00003   0.00485  -0.00006   0.00478  -2.19352
   D296      -2.30514   0.00002   0.00602  -0.00013   0.00589  -2.29925
   D297      -0.23901   0.00001   0.00765  -0.00006   0.00759  -0.23142
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   D299      -0.21322   0.00001   0.00511   0.00017   0.00528  -0.20795
   D300      -1.89082   0.00000   0.00253   0.00021   0.00274  -1.88808
   D301       0.17531   0.00000   0.00416   0.00029   0.00445   0.17975
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   D304      -2.62450   0.00000   0.00175   0.00025   0.00199  -2.62251
   D305      -0.55837   0.00000   0.00338   0.00032   0.00370  -0.55468
   D306      -2.74877  -0.00001  -0.00020   0.00036   0.00014  -2.74862
   D307      -0.68264  -0.00001   0.00143   0.00044   0.00185  -0.68079
   D308       1.52007  -0.00002   0.00546  -0.00003   0.00542   1.52549
   D309      -2.69699  -0.00003   0.00708   0.00004   0.00713  -2.68986
   D310       2.62093   0.00000   0.00504  -0.00009   0.00492   2.62585
   D311      -1.59613  -0.00001   0.00667  -0.00002   0.00663  -1.58950
   D312       3.00231   0.00000   0.00776  -0.00031   0.00742   3.00974
   D313      -1.21475   0.00000   0.00939  -0.00024   0.00913  -1.20562
   D314      -0.44592  -0.00001   0.02711  -0.00062   0.02650  -0.41942
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   D316      -0.30127   0.00000   0.02076  -0.00027   0.02051  -0.28076
   D317       1.76485   0.00000   0.02239  -0.00020   0.02222   1.78707
   D318       0.12372  -0.00002   0.01732  -0.00015   0.01721   0.14093
   D319       2.18985  -0.00002   0.01895  -0.00008   0.01891   2.20876
   D320       0.25256   0.00000   0.02060  -0.00009   0.02049   0.27305
   D321       2.31868   0.00000   0.02223  -0.00002   0.02220   2.34088
   D322      -0.56192   0.00001   0.01445   0.00008   0.01452  -0.54740
   D323       1.50420   0.00001   0.01608   0.00015   0.01623   1.52043
   D324      -0.59773   0.00001   0.01257  -0.00026   0.01231  -0.58542
   D325       1.46839   0.00000   0.01420  -0.00019   0.01402   1.48241
   D326       0.05187   0.00000  -0.01245   0.00107  -0.01133   0.04054
   D327       2.23994   0.00000  -0.01507   0.00089  -0.01412   2.22582
   D328       0.36005  -0.00001  -0.00992   0.00100  -0.00888   0.35118
   D329       2.54813  -0.00001  -0.01253   0.00083  -0.01167   2.53646
   D330       0.72296   0.00001  -0.01171   0.00110  -0.01062   0.71234
   D331       2.91103   0.00001  -0.01432   0.00093  -0.01341   2.89762
   D332       1.00141  -0.00001  -0.01234   0.00116  -0.01122   0.99018
   D333      -3.09371  -0.00001  -0.01495   0.00099  -0.01401  -3.10772
   D334       0.30358   0.00000  -0.00345   0.00074  -0.00259   0.30099
   D335       2.49165   0.00000  -0.00607   0.00057  -0.00538   2.48627
   D336       0.68982   0.00002  -0.00959   0.00079  -0.00880   0.68102
   D337       2.87789   0.00002  -0.01221   0.00061  -0.01159   2.86630
   D338      -2.36340  -0.00001  -0.00778   0.00104  -0.00677  -2.37017
   D339      -0.17532  -0.00001  -0.01039   0.00087  -0.00956  -0.18488
   D340      -1.98365   0.00000  -0.00508   0.00090  -0.00426  -1.98791
   D341       0.20442   0.00000  -0.00769   0.00073  -0.00704   0.19738
   D342      -1.93927   0.00001  -0.00673   0.00071  -0.00608  -1.94536
   D343       0.24880   0.00001  -0.00935   0.00054  -0.00887   0.23993
   D344      -1.64419   0.00001  -0.00915   0.00079  -0.00846  -1.65265
   D345       0.54388   0.00001  -0.01177   0.00062  -0.01124   0.53264
   D346      -1.60875   0.00000  -0.00074   0.00084  -0.00003  -1.60878
   D347       0.57932   0.00000  -0.00335   0.00067  -0.00282   0.57651
   D348      -1.30726   0.00000   0.00029   0.00072   0.00091  -1.30635
   D349       0.88081   0.00000  -0.00232   0.00055  -0.00188   0.87893
   D350       1.80762   0.00000  -0.01937   0.00116  -0.01832   1.78930
   D351      -2.28749   0.00000  -0.02199   0.00099  -0.02111  -2.30860
   D352       2.23585   0.00001  -0.02629   0.00133  -0.02501   2.21083
   D353      -1.85927   0.00001  -0.02891   0.00116  -0.02780  -1.88707
   D354       2.46543   0.00001  -0.04797   0.00185  -0.04602   2.41941
   D355      -1.62968   0.00001  -0.05058   0.00167  -0.04881  -1.67849
   D356       3.09978   0.00002  -0.03822   0.00174  -0.03619   3.06359
   D357      -0.99534   0.00002  -0.04083   0.00156  -0.03898  -1.03431
   D358       2.56624   0.00000  -0.01681   0.00113  -0.01566   2.55057
   D359      -1.52888   0.00000  -0.01942   0.00096  -0.01845  -1.54733
   D360       1.60896   0.00000   0.00518   0.00038   0.00555   1.61451
   D361      -2.48616   0.00000   0.00257   0.00020   0.00276  -2.48339
   D362       1.78320  -0.00002  -0.00732   0.00055  -0.00666   1.77655
   D363      -2.31191  -0.00002  -0.00993   0.00038  -0.00945  -2.32136
   D364       2.73770  -0.00002   0.00230   0.00010   0.00240   2.74010
   D365      -1.35741  -0.00002  -0.00032  -0.00007  -0.00039  -1.35780
   D366       2.71515  -0.00001  -0.00192   0.00081  -0.00113   2.71403
   D367      -1.37996  -0.00001  -0.00453   0.00064  -0.00392  -1.38388
   D368       0.03949   0.00001  -0.00242   0.00055  -0.00182   0.03767
   D369      -2.55448   0.00002  -0.07492   0.00509  -0.06983  -2.62431
   D370       0.43944  -0.00001  -0.00275   0.00056  -0.00213   0.43731
   D371      -2.15453   0.00000  -0.07525   0.00510  -0.07014  -2.22467
   D372       0.64928   0.00001  -0.00640   0.00069  -0.00564   0.64364
   D373      -1.94469   0.00001  -0.07890   0.00523  -0.07364  -2.01834
   D374       0.91923  -0.00001  -0.00539   0.00090  -0.00442   0.91481
   D375      -1.67474  -0.00001  -0.07789   0.00544  -0.07242  -1.74717
   D376       0.68364   0.00000   0.00170   0.00038   0.00215   0.68579
   D377      -1.91033   0.00000  -0.07080   0.00491  -0.06586  -1.97619
   D378       1.02323  -0.00001  -0.00037   0.00039   0.00008   1.02330
   D379      -1.57075   0.00000  -0.07287   0.00493  -0.06793  -1.63868
   D380      -2.78201   0.00002  -0.00880   0.00076  -0.00798  -2.78999
   D381       0.90720   0.00002  -0.08130   0.00529  -0.07599   0.83122
   D382      -2.22553   0.00001  -0.00480   0.00087  -0.00382  -2.22935
   D383       1.46369   0.00002  -0.07730   0.00540  -0.07182   1.39186
   D384      -1.98390   0.00001   0.00293   0.00042   0.00341  -1.98049
   D385       1.70532   0.00001  -0.06957   0.00495  -0.06460   1.64072
   D386      -1.65178   0.00000   0.00585   0.00035   0.00623  -1.64555
   D387       2.03743   0.00001  -0.06665   0.00489  -0.06177   1.97566
   D388      -1.70354  -0.00001   0.00369   0.00103   0.00480  -1.69874
   D389       1.98567   0.00000  -0.06881   0.00557  -0.06321   1.92246
   D390      -1.11712  -0.00002   0.02120   0.00017   0.02124  -1.09588
   D391       2.57209  -0.00001  -0.05130   0.00471  -0.04676   2.52533
   D392       1.77661  -0.00001   0.00178   0.00051   0.00233   1.77894
   D393      -0.81736  -0.00001  -0.07072   0.00505  -0.06567  -0.88304
   D394       2.07731   0.00000  -0.00008   0.00048   0.00041   2.07772
   D395      -0.51666   0.00000  -0.07258   0.00502  -0.06759  -0.58426
   D396       2.02391  -0.00001  -0.00429   0.00047  -0.00384   2.02007
   D397      -0.57006   0.00000  -0.07678   0.00501  -0.07184  -0.64191
   D398       2.22038   0.00001  -0.00515   0.00021  -0.00500   2.21538
   D399      -0.37359   0.00001  -0.07765   0.00475  -0.07300  -0.44660
   D400       2.47786   0.00000   0.00188   0.00047   0.00237   2.48023
   D401      -0.11611   0.00000  -0.07062   0.00501  -0.06563  -0.18174
   D402      -1.53933  -0.00001   0.02210  -0.00012   0.02199  -1.51733
   D403       2.14989   0.00000  -0.05040   0.00442  -0.04601   2.10388
   D404      -2.63795  -0.00003   0.01971  -0.00003   0.01967  -2.61828
   D405       1.05126  -0.00002  -0.05279   0.00451  -0.04833   1.00293
   D406      -3.00080  -0.00001   0.01590   0.00047   0.01635  -2.98445
   D407       0.68841  -0.00001  -0.05660   0.00500  -0.05165   0.63676
   D408       1.90768   0.00002  -0.01908   0.00024  -0.01885   1.88883
   D409       2.40226   0.00001  -0.02345   0.00022  -0.02327   2.37899
   D410       2.63346   0.00002  -0.02242   0.00014  -0.02230   2.61115
   D411       2.86490   0.00000  -0.02037   0.00027  -0.02009   2.84481
   D412       2.82581   0.00002  -0.03297   0.00008  -0.03299   2.79282
   D413      -2.95864  -0.00002  -0.03377  -0.00006  -0.03383  -2.99247
   D414      -0.76015   0.00001  -0.01504   0.00001  -0.01503  -0.77519
   D415      -0.37931   0.00001  -0.01469   0.00009  -0.01462  -0.39393
   D416      -0.06995   0.00002  -0.01548  -0.00003  -0.01554  -0.08548
   D417       0.23902   0.00001  -0.01540   0.00000  -0.01541   0.22361
   D418      -0.24336   0.00001  -0.01329   0.00028  -0.01304  -0.25641
   D419       0.06879   0.00000  -0.00987   0.00028  -0.00963   0.05917
   D420      -2.56879  -0.00001  -0.01693   0.00003  -0.01688  -2.58567
   D421      -2.18555   0.00000  -0.01714   0.00002  -0.01710  -2.20265
   D422      -1.94187   0.00000  -0.02008  -0.00006  -0.02012  -1.96199
   D423      -1.62852   0.00001  -0.01775  -0.00018  -0.01795  -1.64647
   D424      -1.97081   0.00001  -0.01357   0.00006  -0.01349  -1.98431
   D425       1.34017  -0.00001   0.00445  -0.00096   0.00356   1.34373
   D426       2.48607  -0.00002   0.00479  -0.00057   0.00423   2.49030
   D427       2.95761  -0.00002  -0.00262  -0.00037  -0.00281   2.95480
   D428      -3.06190  -0.00016  -0.00623  -0.00069  -0.00693  -3.06883
   D429       0.03479  -0.00014  -0.00459   0.00015  -0.00444   0.03035
   D430       0.05142  -0.00006  -0.00627  -0.00065  -0.00692   0.04450
   D431      -3.13507  -0.00004  -0.00464   0.00020  -0.00443  -3.13950
   D432      -0.09299  -0.00002   0.00711   0.00102   0.00813  -0.08485
   D433       2.00527   0.00002   0.00788   0.00108   0.00897   2.01424
   D434      -2.19036   0.00000   0.00695   0.00099   0.00794  -2.18243
   D435       3.09123  -0.00004   0.00552   0.00022   0.00574   3.09698
   D436      -1.09369  -0.00001   0.00629   0.00028   0.00657  -1.08712
   D437       0.99386  -0.00002   0.00536   0.00018   0.00554   0.99940
   D438      -2.36405  -0.00001  -0.00220  -0.00115  -0.00336  -2.36741
   D439      -0.27352   0.00000  -0.00210  -0.00124  -0.00334  -0.27686
   D440       1.83307  -0.00001  -0.00160  -0.00128  -0.00288   1.83020
   D441       0.73484   0.00001  -0.00060  -0.00035  -0.00095   0.73389
   D442       2.82537   0.00002  -0.00050  -0.00044  -0.00093   2.82444
   D443      -1.35122   0.00001   0.00001  -0.00047  -0.00047  -1.35169
   D444      -0.00366   0.00003   0.00227  -0.00003   0.00224  -0.00142
   D445       3.11277   0.00002   0.00227  -0.00022   0.00204   3.11482
   D446      -3.12452   0.00005   0.00307  -0.00004   0.00302  -3.12150
   D447      -0.00809   0.00004   0.00307  -0.00024   0.00283  -0.00526
   D448       2.42579  -0.00001   0.00269   0.00009   0.00278   2.42857
   D449      -1.77328  -0.00001   0.00317   0.00008   0.00325  -1.77003
   D450       0.33457   0.00000   0.00329   0.00009   0.00338   0.33795
   D451      -0.69186   0.00000   0.00269   0.00028   0.00297  -0.68889
   D452       1.39226   0.00000   0.00317   0.00027   0.00344   1.39570
   D453      -2.78308   0.00001   0.00329   0.00028   0.00356  -2.77951
   D454       2.05959  -0.00001  -0.00071   0.00027  -0.00044   2.05915
   D455      -2.13954   0.00001  -0.00024   0.00024   0.00001  -2.13953
   D456      -0.04602   0.00000  -0.00054   0.00026  -0.00028  -0.04629
   D457      -1.10592  -0.00002  -0.00072   0.00008  -0.00064  -1.10656
   D458       0.97813   0.00001  -0.00024   0.00006  -0.00018   0.97795
   D459       3.07165  -0.00001  -0.00055   0.00008  -0.00047   3.07118
   D460      -3.09534   0.00004   0.00842  -0.00038   0.00805  -3.08730
   D461      -0.03391   0.00005   0.00633  -0.00028   0.00605  -0.02786
   D462       0.05951   0.00003   0.00842  -0.00041   0.00802   0.06752
   D463       3.12094   0.00004   0.00632  -0.00031   0.00602   3.12696
   D464       1.95242  -0.00006  -0.01613   0.00085  -0.01529   1.93714
   D465      -2.24938  -0.00001  -0.01438   0.00075  -0.01365  -2.26303
   D466      -0.15609  -0.00003  -0.01517   0.00080  -0.01438  -0.17047
   D467      -1.11233  -0.00007  -0.01403   0.00075  -0.01327  -1.12560
   D468       0.96905  -0.00002  -0.01228   0.00065  -0.01164   0.95741
   D469       3.06234  -0.00003  -0.01307   0.00070  -0.01237   3.04998
   D470      -1.66020   0.00002   0.01663  -0.00019   0.01644  -1.64376
   D471       0.44414   0.00002   0.01674  -0.00019   0.01655   0.46069
   D472       2.53742   0.00002   0.01492  -0.00016   0.01476   2.55218
   D473       1.40487   0.00003   0.01455  -0.00009   0.01445   1.41931
   D474      -2.77398   0.00003   0.01466  -0.00009   0.01456  -2.75942
   D475      -0.68069   0.00002   0.01284  -0.00006   0.01276  -0.66793
   D476       0.00136   0.00008   0.00121  -0.00016   0.00101   0.00238
   D477      -3.10844   0.00013   0.00939   0.00095   0.01037  -3.09807
   D478       3.11912  -0.00005   0.00028  -0.00014   0.00012   3.11924
   D479       0.00932   0.00000   0.00846   0.00097   0.00948   0.01880
   D480      -0.38996   0.00012   0.05634   0.00095   0.05713  -0.33283
   D481       1.71956  -0.00001   0.05442   0.00093   0.05540   1.77496
   D482      -2.47707   0.00005   0.05341   0.00094   0.05438  -2.42268
   D483       2.72132   0.00008   0.04855  -0.00012   0.04822   2.76954
   D484      -1.45234  -0.00006   0.04662  -0.00014   0.04649  -1.40585
   D485       0.63422   0.00001   0.04561  -0.00012   0.04547   0.67969
   D486       0.01301  -0.00006  -0.00114  -0.00256  -0.00373   0.00928
   D487       2.10517  -0.00005  -0.00133  -0.00250  -0.00387   2.10130
   D488      -2.09234  -0.00003  -0.00148  -0.00255  -0.00406  -2.09639
   D489      -3.09825  -0.00002   0.00656  -0.00149   0.00510  -3.09314
   D490      -1.00609  -0.00001   0.00638  -0.00144   0.00496  -1.00113
   D491       1.07959   0.00001   0.00623  -0.00148   0.00478   1.08436
         Item               Value     Threshold  Converged?
 Maximum Force            0.000166     0.000450     YES
 RMS     Force            0.000024     0.000300     YES
 Maximum Displacement     0.123826     0.001800     NO 
 RMS     Displacement     0.012555     0.001200     NO 
 Predicted change in Energy=-2.721752D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:18:19 2016, MaxMem=  2952790016 cpu:         7.7
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.836359   -0.611218    1.685328
      2          6           0       -2.109588    1.095477   -1.343888
      3          8           0       -2.656955    0.109392   -1.867679
      4          7           0       -0.814726    1.152359   -0.929314
      5          1           0       -2.662058    2.034446   -1.139786
      6          6           0       -0.278788    2.326976   -0.240563
      7          1           0       -1.040192    3.118830   -0.213240
      8          1           0        0.007127    2.057100    0.789035
      9          1           0        0.613685    2.696453   -0.771540
     10          6           0        0.102042    0.022764   -1.101413
     11          1           0        0.675323   -0.122019   -0.172292
     12          1           0       -0.474838   -0.885151   -1.320944
     13          1           0        0.807163    0.221271   -1.925423
     14          6           0       -1.982413   -4.030057    2.611685
     15          8           0       -2.109985   -3.884957    3.839518
     16          7           0       -2.922750   -3.722923    1.677219
     17          1           0       -1.047667   -4.417008    2.159487
     18          6           0       -4.227807   -3.171101    2.049738
     19          1           0       -4.498101   -2.380060    1.332283
     20          1           0       -5.003800   -3.954211    2.022148
     21          1           0       -4.170178   -2.747471    3.060774
     22          6           0       -2.669857   -3.897912    0.246710
     23          1           0       -3.374288   -4.631348   -0.178883
     24          1           0       -2.808341   -2.935910   -0.273969
     25          1           0       -1.639369   -4.247808    0.093967
     26          6           0        1.533726    0.379233    2.625977
     27          8           0        1.351185    1.393251    3.320912
     28          7           0        1.168248   -0.886755    2.965932
     29          1           0        2.015669    0.427641    1.629624
     30          6           0        1.484505   -2.031853    2.111890
     31          1           0        2.238670   -2.674977    2.595842
     32          1           0        0.575665   -2.630927    1.941145
     33          1           0        1.869213   -1.675644    1.146467
     34          6           0        0.530031   -1.173072    4.253350
     35          1           0        1.281191   -1.475371    5.002961
     36          1           0        0.004876   -0.275683    4.604489
     37          1           0       -0.188495   -1.995010    4.121051
     38          6           0       -4.596277    1.233728    2.890783
     39          8           0       -4.842790    1.879724    1.858400
     40          7           0       -3.501831    1.394851    3.683701
     41          1           0       -5.262740    0.424088    3.251600
     42          6           0       -2.470549    2.390658    3.380188
     43          1           0       -2.546800    2.683464    2.324892
     44          1           0       -2.589207    3.281200    4.019692
     45          1           0       -1.479687    1.950287    3.569234
     46          6           0       -3.271773    0.547054    4.853781
     47          1           0       -4.085493   -0.185630    4.944876
     48          1           0       -2.313825    0.012137    4.742515
     49          1           0       -3.226021    1.161820    5.767636
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487637   0.000000
     3  O    3.717057   1.243516   0.000000
     4  N    3.315161   1.360799   2.315624   0.000000
     5  H    3.957599   1.108397   2.058079   2.057914   0.000000
     6  C    3.842924   2.466930   3.636051   1.463329   2.564011
     7  H    4.260482   2.552632   3.795763   2.104901   2.159822
     8  H    3.364774   3.155086   4.236630   2.108726   3.293238
     9  H    4.793705   3.210440   4.311785   2.109379   3.362194
    10  C    3.453297   2.469983   2.864740   1.464946   3.418858
    11  H    3.162059   3.257402   3.745926   2.101754   4.089560
    12  H    3.311563   2.568234   2.459607   2.102462   3.652506
    13  H    4.551788   3.099977   3.466405   2.118887   3.992534
    14  C    3.545128   6.475634   6.136347   6.384325   7.163355
    15  O    3.928457   7.188353   6.987567   7.056487   7.754843
    16  N    3.295910   5.745024   5.227197   5.916600   6.414887
    17  H    3.915470   6.617311   6.268666   6.372818   7.423795
    18  C    3.522047   5.848695   5.345592   6.262282   6.302567
    19  H    3.215325   4.994621   4.452746   5.582119   5.382383
    20  H    4.617547   6.723542   6.095187   7.234399   7.165585
    21  H    3.449948   6.198010   5.894163   6.510648   6.541090
    22  C    3.683300   5.270469   4.530926   5.507248   6.092234
    23  H    4.690624   5.979400   5.083425   6.369126   6.772253
    24  H    3.191831   4.229074   3.440449   4.595424   5.047324
    25  H    3.974421   5.553308   4.885563   5.557783   6.483422
    26  C    3.636383   5.435676   6.150412   4.330479   5.875824
    27  O    4.105297   5.816010   6.680940   4.776361   6.034491
    28  N    3.277732   5.766108   6.244060   4.823185   6.329422
    29  H    3.990044   5.128891   5.845154   3.883879   5.668561
    30  C    3.637073   5.885585   6.129730   4.967353   6.655988
    31  H    4.657681   6.974607   7.186298   6.033113   7.755690
    32  H    3.156347   5.646957   5.697922   4.948331   6.460704
    33  H    3.892896   5.450857   5.723428   4.417013   6.286823
    34  C    3.536979   6.591129   7.019159   5.837466   7.040137
    35  H    4.633850   7.641278   8.076271   6.818337   8.099467
    36  H    3.467597   6.460203   7.008750   5.773563   6.741360
    37  H    3.250089   6.565612   6.810777   5.983668   7.073291
    38  C    3.531869   4.912756   5.260044   5.375862   4.541788
    39  O    3.908116   4.282532   4.668577   4.952343   3.710613
    40  N    3.285057   5.225381   5.760559   5.344085   4.937644
    41  H    3.907064   5.613522   5.752927   6.147784   5.351735
    42  C    3.505140   4.911688   5.725298   4.779848   4.538032
    43  H    3.430553   4.021542   4.920938   3.991769   3.526827
    44  H    4.600755   5.811661   6.687757   5.672160   5.308476
    45  H    3.199629   5.026554   5.859597   4.616904   4.855920
    46  C    3.666210   6.329497   6.763695   6.312500   6.205395
    47  H    3.983012   6.715206   6.966970   6.855235   6.631593
    48  H    3.156412   6.185438   6.619808   5.976374   6.229965
    49  H    4.662623   7.198930   7.728485   7.117835   6.985128
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098870   0.000000
     8  H    1.102113   1.796859   0.000000
     9  H    1.102251   1.795942   1.792228   0.000000
    10  C    2.489074   3.417481   2.778728   2.742118   0.000000
    11  H    2.629175   3.667120   2.473701   2.882131   1.101308
    12  H    3.394616   4.192672   3.652554   3.783466   1.097859
    13  H    2.907239   3.839289   3.373220   2.737774   1.102539
    14  C    7.172833   7.744326   6.658364   7.964414   5.878555
    15  O    7.654309   8.162251   7.006829   8.484998   6.676537
    16  N    6.875297   7.343531   6.540774   7.727301   5.558807
    17  H    7.199496   7.900554   6.701105   7.870981   5.627333
    18  C    7.146263   7.405754   6.845299   8.113436   6.235231
    19  H    6.514034   6.677093   6.346699   7.505159   5.732168
    20  H    8.179176   8.410415   7.922489   9.142876   7.186278
    21  H    7.196649   7.411442   6.759777   8.198066   6.576463
    22  C    6.686096   7.218174   6.551529   7.436675   4.987240
    23  H    7.616048   8.094100   7.556863   8.363721   5.881895
    24  H    5.839325   6.307925   5.829836   6.609187   4.231872
    25  H    6.722416   7.397348   6.553316   7.351743   4.764371
    26  C    3.911005   4.710796   2.918921   4.214156   4.008768
    27  O    4.026507   4.602883   2.942377   4.357798   4.795367
    28  N    4.764829   5.570373   3.841011   5.207266   4.302013
    29  H    3.517045   4.469556   2.719553   3.588685   3.359234
    30  C    5.257626   6.189496   4.544461   5.606191   4.056842
    31  H    6.277127   7.225654   5.535060   6.544624   5.051008
    32  H    5.483680   6.349179   4.860884   5.978385   4.064917
    33  H    4.749603   5.770652   4.186705   4.936632   3.325725
    34  C    5.753241   6.390341   4.765388   6.342693   5.503334
    35  H    6.662276   7.328318   5.644356   7.155036   6.395168
    36  H    5.507161   5.985432   4.472088   6.173000   5.714528
    37  H    6.140960   6.757428   5.249780   6.825743   5.606242
    38  C    5.444376   5.082747   5.127048   6.534209   6.283173
    39  O    5.043391   4.504090   4.969577   6.112017   6.054763
    40  N    5.163014   4.921171   4.596787   6.203291   6.145554
    41  H    6.376203   6.090703   6.041726   7.475404   6.920308
    42  C    4.232932   3.935592   3.600585   5.181010   5.684180
    43  H    3.442750   2.983543   3.045280   4.424560   5.082839
    44  H    4.939469   4.510379   4.321633   5.792784   6.639724
    45  H    4.012307   3.983185   3.154605   4.876607   5.294540
    46  C    6.170772   6.104808   5.436321   7.166655   6.864535
    47  H    6.906010   6.841014   6.249031   7.941416   7.357750
    48  H    5.859260   5.986083   5.019830   6.795636   6.323608
    49  H    6.792807   6.661728   6.003436   7.736877   7.717337
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795729   0.000000
    13  H    1.791284   1.798080   0.000000
    14  C    5.485149   5.256310   6.814754   0.000000
    15  O    6.165409   6.188934   7.655417   1.242941   0.000000
    16  N    5.416026   4.799396   6.515209   1.360806   2.315681
    17  H    5.181971   4.991548   6.452946   1.108136   2.057694
    18  C    6.186679   5.538216   7.256790   2.468883   2.863228
    19  H    5.841816   5.045891   6.747251   3.269258   3.775453
    20  H    7.194005   6.411466   8.172225   3.079300   3.417865
    21  H    6.389413   6.026875   7.645228   2.575466   2.478853
    22  C    5.061933   4.043807   5.811669   2.466404   3.636192
    23  H    6.060812   4.872895   6.639491   3.175868   4.278213
    24  H    4.479312   3.278262   5.076116   3.194732   4.278921
    25  H    4.738231   3.829565   5.480522   2.550294   3.792399
    26  C    2.969582   4.605560   4.611734   5.639616   5.738695
    27  O    3.867209   5.483822   5.403104   6.405322   6.333098
    28  N    3.267453   4.590974   5.028266   4.464583   4.527601
    29  H    2.312045   4.078223   3.760510   6.067963   6.364209
    30  C    3.085406   4.115617   4.672821   4.032634   4.397619
    31  H    4.077280   5.089972   5.556915   4.433287   4.682048
    32  H    3.281946   3.846104   4.810299   2.991814   3.519819
    33  H    2.361832   3.493934   3.763342   4.746067   5.288441
    34  C    4.551059   5.671457   6.340208   4.143646   3.807264
    35  H    5.383482   6.589672   7.148832   4.784948   4.319696
    36  H    4.826049   5.975980   6.597756   4.692111   4.252607
    37  H    4.763095   5.561393   6.516370   3.104471   2.709849
    38  C    6.245818   6.262153   7.308767   5.883674   5.769114
    39  O    6.211300   6.068918   6.999268   6.608684   6.680164
    40  N    5.883723   6.277545   7.169867   5.734760   5.462406
    41  H    6.876181   6.748798   7.980377   5.568613   5.371534
    42  C    5.369374   6.067490   6.602965   6.484941   6.302724
    43  H    4.948610   5.506375   5.947827   6.743304   6.754927
    44  H    6.309658   7.095874   7.499526   7.470285   7.184421
    45  H    4.789315   5.741365   6.197616   6.077347   5.875406
    46  C    6.425623   6.928296   7.918425   5.257318   4.692675
    47  H    6.989623   7.265443   8.444209   4.964509   4.336988
    48  H    5.753984   6.399417   7.365168   4.581441   4.005533
    49  H    7.221597   7.874456   8.736954   6.201788   5.516622
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056764   0.000000
    18  C    1.465077   3.417253   0.000000
    19  H    2.098569   4.091323   1.101611   0.000000
    20  H    2.122084   3.985478   1.102810   1.791535   0.000000
    21  H    2.102809   3.653731   1.097715   1.797277   1.797190
    22  C    1.463192   2.561186   2.491259   2.612436   2.933026
    23  H    2.115239   3.305614   2.797779   2.935111   2.821057
    24  H    2.107039   3.348930   2.733095   2.396728   3.336036
    25  H    2.104580   2.155252   3.418237   3.632390   3.888892
    26  C    6.130905   5.466729   6.792067   6.757979   7.866549
    27  O    6.866112   6.392379   7.319449   7.239245   8.406425
    28  N    5.142071   4.245388   5.930856   6.083279   6.956594
    29  H    6.451157   5.756336   7.218616   7.099352   8.284181
    30  C    4.740523   3.478955   5.825140   6.043229   6.767690
    31  H    5.346243   3.745008   6.508432   6.860586   7.376919
    32  H    3.674374   2.423420   4.834969   5.116322   5.734813
    33  H    5.237935   4.129101   6.342392   6.408855   7.293628
    34  C    5.005985   4.170913   5.611153   5.938987   6.583030
    35  H    5.812501   4.707669   6.476579   6.905980   7.384511
    36  H    5.387334   4.923053   5.729380   5.950843   6.729553
    37  H    4.053906   3.232953   4.689304   5.147640   5.606338
    38  C    5.370458   6.712544   4.499516   3.936753   5.275918
    39  O    5.925287   7.358155   5.091723   4.305968   5.838453
    40  N    5.527469   6.490289   4.903548   4.557594   5.799063
    41  H    5.015170   6.511203   3.929496   3.483058   4.555009
    42  C    6.362426   7.061093   5.982576   5.573566   6.965559
    43  H    6.450008   7.258888   6.097329   5.516531   7.084295
    44  H    7.392981   8.068402   6.942471   6.551023   7.884898
    45  H    6.152029   6.535784   6.007465   5.732947   7.048117
    46  C    5.333391   6.070237   4.754086   4.740551   5.592803
    47  H    4.953988   5.906890   4.161144   4.246952   4.856731
    48  H    4.870062   5.281337   4.587742   4.703547   5.510742
    49  H    6.378416   6.991944   5.796597   5.816825   6.585055
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390197   0.000000
    23  H    3.831163   1.102398   0.000000
    24  H    3.607023   1.102603   1.789929   0.000000
    25  H    4.178271   1.098937   1.797635   1.795257   0.000000
    26  C    6.519190   6.451742   7.553923   6.184933   6.155413
    27  O    6.906425   7.322288   8.418696   6.997603   7.153890
    28  N    5.654206   5.585005   6.674314   5.523518   5.237134
    29  H    7.098889   6.525106   7.610236   6.181279   6.130038
    30  C    5.778229   4.921361   5.967654   4.993813   4.329095
    31  H    6.426099   5.577421   6.559862   5.811731   4.875691
    32  H    4.877518   3.874245   4.909005   4.056013   3.306471
    33  H    6.425545   5.133341   6.163363   5.048308   4.475928
    34  C    5.098326   5.806651   6.844565   5.894823   5.608990
    35  H    5.925179   6.640888   7.647560   6.833990   6.349354
    36  H    5.091548   6.266176   7.298713   6.228189   6.231061
    37  H    4.188578   4.978826   5.965650   5.202411   4.837100
    38  C    4.007543   6.085716   6.731658   5.531568   6.827351
    39  O    4.827944   6.379675   6.978615   5.645910   7.135949
    40  N    4.241881   6.365408   7.158972   5.907585   6.942229
    41  H    3.359895   5.867886   6.394677   5.453741   6.702691
    42  C    5.421359   7.028835   7.924160   6.468330   7.453814
    43  H    5.715936   6.902789   7.775609   6.196760   7.337778
    44  H    6.305859   8.110582   8.991818   7.558835   8.543972
    45  H    5.437481   6.830600   7.807420   6.356921   7.107697
    46  C    3.856929   6.430017   7.221777   6.216077   6.950631
    47  H    3.181202   6.152872   6.820787   6.035851   6.783519
    48  H    3.726894   5.968878   6.848846   5.839575   6.341216
    49  H    4.847792   7.509382   8.303244   7.312101   7.998253
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242775   0.000000
    28  N    1.360834   2.314715   0.000000
    29  H    1.107850   2.057765   2.057056   0.000000
    30  C    2.465774   3.634673   1.463098   2.561996   0.000000
    31  H    3.134653   4.226563   2.116721   3.257230   1.102988
    32  H    3.232327   4.324257   2.107956   3.394922   1.101832
    33  H    2.554216   3.796667   2.103367   2.163030   1.098602
    34  C    2.462803   2.851272   1.465177   3.413700   2.496874
    35  H    3.025455   3.326136   2.123373   3.942121   2.951152
    36  H    2.584725   2.499092   2.100407   3.658931   3.389171
    37  H    3.292160   3.806725   2.098399   4.115189   2.614768
    38  C    6.194935   5.965129   6.142625   6.779243   6.945978
    39  O    6.595499   6.382862   6.709144   7.014224   7.443074
    40  N    5.244721   4.866558   5.246957   5.966367   6.251115
    41  H    6.825347   6.684914   6.569438   7.456947   7.270206
    42  C    4.544104   3.950188   4.914661   5.200391   6.067095
    43  H    4.695830   4.225043   5.192203   5.136950   6.207334
    44  H    5.230911   4.424854   5.709704   5.921157   6.961563
    45  H    3.526840   2.895823   3.927383   4.277622   5.173753
    46  C    5.299443   4.943428   5.033246   6.194069   6.065551
    47  H    6.105078   5.889617   5.657702   6.970737   6.516075
    48  H    4.406602   4.166621   4.011120   5.348575   5.052266
    49  H    5.756531   5.195270   5.599625   6.718443   6.764102
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787779   0.000000
    33  H    1.798848   1.793696   0.000000
    34  C    2.814693   2.733810   3.420338   0.000000
    35  H    2.854828   3.347804   3.906204   1.103423   0.000000
    36  H    3.844620   3.600885   4.170559   1.097448   1.796388
    37  H    2.946140   2.395896   3.631020   1.099711   1.791024
    38  C    7.879179   6.525823   7.301346   5.824801   6.807727
    39  O    8.451993   7.050707   7.628792   6.627409   7.658202
    40  N    7.120413   5.989104   6.686824   4.814004   5.732008
    41  H    8.142811   6.718436   7.726915   6.091848   7.035498
    42  C    6.960790   6.047031   6.352784   4.739838   5.626288
    43  H    7.189369   6.175743   6.315986   5.297047   6.254716
    44  H    7.798191   7.020685   7.259699   5.442865   6.210617
    45  H    6.013879   5.278510   5.498392   3.776553   4.627435
    46  C    6.770875   5.778044   6.716718   4.215811   4.984169
    47  H    7.190956   6.060386   7.218489   4.770357   5.519791
    48  H    5.705611   4.814833   5.768707   3.119538   3.899314
    49  H    7.392166   6.593920   7.440955   4.674687   5.277732
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796438   0.000000
    38  C    5.136703   5.600612   0.000000
    39  O    5.973830   6.464953   1.242535   0.000000
    40  N    3.991933   4.760318   1.361063   2.316246   0.000000
    41  H    5.483408   5.688229   1.108998   2.058213   2.056670
    42  C    3.838752   4.999074   2.469155   2.864336   1.465366
    43  H    4.523733   5.538583   2.573388   2.476930   2.102134
    44  H    4.441021   5.797593   3.081381   3.422566   2.122283
    45  H    2.868906   4.187726   3.269081   3.773910   2.100162
    46  C    3.387546   4.062707   2.465602   3.635438   1.463138
    47  H    4.105495   4.374830   2.548485   3.790188   2.104553
    48  H    2.340569   2.988626   3.182889   4.266341   2.108161
    49  H    3.722636   4.680105   3.187328   4.290857   2.114985
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417640   0.000000
    43  H    3.652382   1.097816   0.000000
    44  H    3.987584   1.102773   1.797618   0.000000
    45  H    4.091658   1.100669   1.795735   1.790328   0.000000
    46  C    2.558525   2.492451   3.388969   2.938903   2.613560
    47  H    2.150547   3.419584   4.178946   3.887640   3.639334
    48  H    3.329960   2.745516   3.610424   3.359327   2.414290
    49  H    3.320077   2.789388   3.824817   2.820038   2.916219
                   46         47         48         49
    46  C    0.000000
    47  H    1.098755   0.000000
    48  H    1.102806   1.794121   0.000000
    49  H    1.102344   1.797566   1.790180   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2142042      0.1935537      0.1843399
 Leave Link  202 at Mon Nov 14 02:18:19 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1196002488 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839619356 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9356383132 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4028
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.14D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     211
 GePol: Fraction of low-weight points (<1% of avg)   =       5.24%
 GePol: Cavity surface area                          =    466.999 Ang**2
 GePol: Cavity volume                                =    457.848 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040169130 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9316214003 Hartrees.
 Leave Link  301 at Mon Nov 14 02:18:19 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:18:21 2016, MaxMem=  2952790016 cpu:        14.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:18:21 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.002128   -0.010893    0.002456
         Rot=    1.000000    0.000395    0.000079    0.000593 Ang=   0.08 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50893866286    
 Leave Link  401 at Mon Nov 14 02:18:27 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48674352.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.33D-15 for   2907.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.69D-15 for   2220    132.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   1924.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.29D-11 for   3215   2439.
 E= -1013.44983741893    
 DIIS: error= 9.70D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44983741893     IErMin= 1 ErrMin= 9.70D-04
 ErrMax= 9.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.71D-04 BMatP= 8.71D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.70D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.54D-04 MaxDP=5.29D-03              OVMax= 8.21D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.54D-04    CP:  1.00D+00
 E= -1013.45127044958     Delta-E=       -0.001433030643 Rises=F Damp=F
 DIIS: error= 1.90D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45127044958     IErMin= 2 ErrMin= 1.90D-04
 ErrMax= 1.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-05 BMatP= 8.71D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.90D-03
 Coeff-Com:  0.298D-01 0.970D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.298D-01 0.970D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.11D-05 MaxDP=2.62D-03 DE=-1.43D-03 OVMax= 3.94D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.02D-05    CP:  1.00D+00  9.50D-01
 E= -1013.45117981819     Delta-E=        0.000090631387 Rises=F Damp=F
 DIIS: error= 5.82D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45127044958     IErMin= 2 ErrMin= 1.90D-04
 ErrMax= 5.82D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-04 BMatP= 2.14D-05
 IDIUse=3 WtCom= 2.93D-01 WtEn= 7.07D-01
 Coeff-Com:  0.258D-02 0.720D+00 0.277D+00
 Coeff-En:   0.000D+00 0.801D+00 0.199D+00
 Coeff:      0.757D-03 0.778D+00 0.222D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.39D-05 MaxDP=1.70D-03 DE= 9.06D-05 OVMax= 2.90D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.27D-06    CP:  1.00D+00  9.71D-01  4.50D-01
 E= -1013.45128642305     Delta-E=       -0.000106604866 Rises=F Damp=F
 DIIS: error= 7.09D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128642305     IErMin= 4 ErrMin= 7.09D-05
 ErrMax= 7.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-06 BMatP= 2.14D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.535D-04 0.267D+00-0.473D-02 0.737D+00
 Coeff:     -0.535D-04 0.267D+00-0.473D-02 0.737D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.08D-06 MaxDP=3.70D-04 DE=-1.07D-04 OVMax= 3.36D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.55D-06    CP:  1.00D+00  9.79D-01  3.24D-01  7.74D-01
 E= -1013.45128886244     Delta-E=       -0.000002439385 Rises=F Damp=F
 DIIS: error= 2.25D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128886244     IErMin= 5 ErrMin= 2.25D-05
 ErrMax= 2.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-07 BMatP= 3.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.158D-04 0.146D+00-0.142D-01 0.480D+00 0.388D+00
 Coeff:     -0.158D-04 0.146D+00-0.142D-01 0.480D+00 0.388D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.18D-06 MaxDP=6.94D-05 DE=-2.44D-06 OVMax= 7.33D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.46D-07    CP:  1.00D+00  9.79D-01  3.23D-01  7.93D-01  6.86D-01
 E= -1013.45128906695     Delta-E=       -0.000000204514 Rises=F Damp=F
 DIIS: error= 2.06D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128906695     IErMin= 6 ErrMin= 2.06D-06
 ErrMax= 2.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-09 BMatP= 2.41D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-04 0.486D-01-0.613D-02 0.169D+00 0.172D+00 0.616D+00
 Coeff:     -0.175D-04 0.486D-01-0.613D-02 0.169D+00 0.172D+00 0.616D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.06D-07 MaxDP=9.71D-06 DE=-2.05D-07 OVMax= 1.40D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.83D-07    CP:  1.00D+00  9.79D-01  3.24D-01  7.97D-01  6.84D-01
                    CP:  9.06D-01
 E= -1013.45128906968     Delta-E=       -0.000000002728 Rises=F Damp=F
 DIIS: error= 7.81D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45128906968     IErMin= 7 ErrMin= 7.81D-07
 ErrMax= 7.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.02D-10 BMatP= 3.56D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-04 0.108D-01-0.184D-02 0.412D-01 0.525D-01 0.350D+00
 Coeff-Com:  0.547D+00
 Coeff:     -0.118D-04 0.108D-01-0.184D-02 0.412D-01 0.525D-01 0.350D+00
 Coeff:      0.547D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.24D-08 MaxDP=4.42D-06 DE=-2.73D-09 OVMax= 4.30D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.95D-08    CP:  1.00D+00  9.79D-01  3.24D-01  7.98D-01  6.84D-01
                    CP:  9.05D-01  7.20D-01
 E= -1013.45128907026     Delta-E=       -0.000000000579 Rises=F Damp=F
 DIIS: error= 1.84D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45128907026     IErMin= 8 ErrMin= 1.84D-07
 ErrMax= 1.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-11 BMatP= 7.02D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.501D-05 0.285D-02-0.533D-03 0.115D-01 0.168D-01 0.137D+00
 Coeff-Com:  0.265D+00 0.567D+00
 Coeff:     -0.501D-05 0.285D-02-0.533D-03 0.115D-01 0.168D-01 0.137D+00
 Coeff:      0.265D+00 0.567D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.60D-08 MaxDP=1.84D-06 DE=-5.79D-10 OVMax= 2.40D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.24D-08    CP:  1.00D+00  9.79D-01  3.24D-01  7.98D-01  6.85D-01
                    CP:  9.07D-01  7.27D-01  7.53D-01
 E= -1013.45128907025     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 2.30D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45128907026     IErMin= 8 ErrMin= 1.84D-07
 ErrMax= 2.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.92D-11 BMatP= 3.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.226D-05 0.652D-03-0.140D-03 0.300D-02 0.552D-02 0.572D-01
 Coeff-Com:  0.132D+00 0.471D+00 0.331D+00
 Coeff:     -0.226D-05 0.652D-03-0.140D-03 0.300D-02 0.552D-02 0.572D-01
 Coeff:      0.132D+00 0.471D+00 0.331D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.43D-08 MaxDP=1.07D-06 DE= 8.19D-12 OVMax= 1.48D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.10D-09    CP:  1.00D+00  9.79D-01  3.24D-01  7.98D-01  6.85D-01
                    CP:  9.09D-01  7.27D-01  7.83D-01  4.54D-01
 E= -1013.45128907028     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 1.60D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45128907028     IErMin=10 ErrMin= 1.60D-08
 ErrMax= 1.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-13 BMatP= 2.92D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.662D-06 0.887D-04-0.205D-04 0.518D-03 0.129D-02 0.159D-01
 Coeff-Com:  0.407D-01 0.171D+00 0.152D+00 0.619D+00
 Coeff:     -0.662D-06 0.887D-04-0.205D-04 0.518D-03 0.129D-02 0.159D-01
 Coeff:      0.407D-01 0.171D+00 0.152D+00 0.619D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.82D-09 MaxDP=7.40D-08 DE=-2.96D-11 OVMax= 9.19D-08

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45128907     A.U. after   10 cycles
            NFock= 10  Conv=0.18D-08     -V/T= 2.0213
 KE= 9.923498567247D+02 PE=-6.027381670297D+03 EE= 2.173648903101D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:20:22 2016, MaxMem=  2952790016 cpu:      1316.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 02:20:30 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:20:30 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:21:07 2016, MaxMem=  2952790016 cpu:       439.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.22929182D+00-2.68963978D+00 3.27958173D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000072851    0.000049246   -0.000070575
      2        6           0.000076735   -0.000026133    0.000005256
      3        8           0.000036248    0.000034517   -0.000047994
      4        7           0.000001832    0.000011686    0.000011631
      5        1          -0.000005982    0.000023542    0.000054860
      6        6           0.000057681   -0.000004234    0.000063706
      7        1           0.000017155    0.000014278    0.000037480
      8        1           0.000008230    0.000010099   -0.000005330
      9        1           0.000011612    0.000023413    0.000030281
     10        6           0.000026986    0.000022069    0.000031619
     11        1           0.000015264    0.000045350    0.000038949
     12        1           0.000024634    0.000024611   -0.000006086
     13        1           0.000030635    0.000028955    0.000024482
     14        6          -0.000016237   -0.000005480   -0.000021912
     15        8          -0.000010098   -0.000021609   -0.000019006
     16        7          -0.000022363   -0.000003044   -0.000039483
     17        1           0.000002750    0.000011133   -0.000028581
     18        6          -0.000014421    0.000000916   -0.000026305
     19        1           0.000003993    0.000001237   -0.000023523
     20        1           0.000001347   -0.000002259   -0.000053740
     21        1          -0.000005508   -0.000003831   -0.000043433
     22        6           0.000000754    0.000027899   -0.000034759
     23        1           0.000020725    0.000010761   -0.000042227
     24        1           0.000026242   -0.000004843   -0.000008048
     25        1           0.000015374    0.000009901   -0.000028161
     26        6          -0.000004292    0.000049785    0.000040580
     27        8          -0.000003637    0.000029523    0.000052494
     28        7          -0.000009913   -0.000005172    0.000014421
     29        1          -0.000005018    0.000003635    0.000033483
     30        6           0.000005920   -0.000026749    0.000008450
     31        1           0.000011149    0.000003685    0.000003793
     32        1          -0.000031291   -0.000029179   -0.000025282
     33        1          -0.000001788    0.000011167    0.000019979
     34        6          -0.000030808   -0.000034284    0.000016306
     35        1          -0.000023522   -0.000017123    0.000012715
     36        1          -0.000017305   -0.000014068    0.000006467
     37        1          -0.000012099   -0.000021294   -0.000001972
     38        6          -0.000135854   -0.000027737    0.000046409
     39        8          -0.000028216    0.000034320   -0.000101816
     40        7           0.000034209    0.000164381    0.000121087
     41        1          -0.000004786   -0.000045496   -0.000013438
     42        6          -0.000043528   -0.000082313    0.000022215
     43        1          -0.000050972   -0.000059826    0.000009722
     44        1          -0.000094165   -0.000011530    0.000009917
     45        1           0.000115082   -0.000105756   -0.000027818
     46        6           0.000040081   -0.000037929   -0.000029339
     47        1          -0.000011324   -0.000015115   -0.000024024
     48        1          -0.000043172   -0.000005661    0.000011459
     49        1          -0.000031190   -0.000035443   -0.000004907
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000164381 RMS     0.000038816
 Leave Link  716 at Mon Nov 14 02:21:07 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000102211 RMS     0.000010356
 Search for a local minimum.
 Step number  47 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .10356D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   33   34   35   36   37
                                                     38   39   40   41   42
                                                     43   44   45   46   47
 DE=  4.17D-06 DEPred=-2.72D-06 R=-1.53D+00
 Trust test=-1.53D+00 RLast= 4.18D-01 DXMaxT set to 6.67D-01
 ITU= -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  0
     Eigenvalues ---    0.00004   0.00034   0.00083   0.00133   0.00154
     Eigenvalues ---    0.00193   0.00346   0.00372   0.00433   0.00452
     Eigenvalues ---    0.00601   0.00629   0.00696   0.00741   0.00817
     Eigenvalues ---    0.00842   0.00931   0.01021   0.01037   0.01106
     Eigenvalues ---    0.01147   0.01229   0.01254   0.01355   0.01405
     Eigenvalues ---    0.01453   0.01555   0.01651   0.01684   0.01727
     Eigenvalues ---    0.01803   0.01813   0.01869   0.01933   0.01949
     Eigenvalues ---    0.02007   0.02127   0.02237   0.02291   0.02415
     Eigenvalues ---    0.02538   0.02723   0.02817   0.03088   0.03297
     Eigenvalues ---    0.03807   0.03942   0.04317   0.04523   0.04734
     Eigenvalues ---    0.04850   0.05488   0.05869   0.06049   0.06303
     Eigenvalues ---    0.06367   0.06580   0.06860   0.07005   0.07074
     Eigenvalues ---    0.07357   0.07472   0.07944   0.08006   0.08112
     Eigenvalues ---    0.08163   0.08313   0.08350   0.08610   0.08675
     Eigenvalues ---    0.08774   0.08883   0.09020   0.09339   0.09463
     Eigenvalues ---    0.09583   0.09790   0.09914   0.10217   0.10293
     Eigenvalues ---    0.10432   0.10520   0.10601   0.10950   0.11194
     Eigenvalues ---    0.11275   0.11440   0.11722   0.12111   0.13208
     Eigenvalues ---    0.13533   0.14080   0.15062   0.15238   0.15384
     Eigenvalues ---    0.15585   0.16244   0.21733   0.23075   0.23364
     Eigenvalues ---    0.23999   0.24800   0.25040   0.26033   0.26924
     Eigenvalues ---    0.27217   0.28002   0.28805   0.29269   0.29783
     Eigenvalues ---    0.29932   0.31946   0.32722   0.32821   0.32826
     Eigenvalues ---    0.33034   0.33310   0.33351   0.33375   0.33385
     Eigenvalues ---    0.33417   0.33431   0.33504   0.33564   0.33691
     Eigenvalues ---    0.33795   0.33826   0.33856   0.33917   0.33930
     Eigenvalues ---    0.34004   0.34065   0.34136   0.37350   0.39509
     Eigenvalues ---    0.41012   0.42681   0.85977   0.86064   0.86224
     Eigenvalues ---    0.88797
 Eigenvalue     1 is   3.54D-05 Eigenvector:
                         D381      D383      D375      D373      D389
   1                   -0.20057  -0.19559  -0.19414  -0.19155  -0.18428
                         D371      D369      D399      D397      D395
   1                   -0.18253  -0.18248  -0.18204  -0.18170  -0.17676
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    47   46   45   44   43
 RFO step:  Lambda=-2.69164227D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.39D-06 SmlDif=  1.00D-05
 RMS Error=  0.7715904220D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.30529    0.57720   -1.91131   -0.92229    1.95111
 Iteration  1 RMS(Cart)=  0.00096015 RMS(Int)=  0.00004730
 Iteration  2 RMS(Cart)=  0.00000114 RMS(Int)=  0.00004679
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00004679
 ITry= 1 IFail=0 DXMaxC= 8.47D-03 DCOld= 1.00D+10 DXMaxT= 6.67D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59068  -0.00001   0.00097   0.00123   0.00220   6.59288
    R2        6.26475   0.00000  -0.00073  -0.00027  -0.00100   6.26374
    R3        7.26207  -0.00002   0.00171  -0.00337  -0.00165   7.26043
    R4        6.35850   0.00000   0.00419  -0.00386   0.00032   6.35882
    R5        6.52578   0.00002   0.00029   0.00134   0.00162   6.52741
    R6        5.97542   0.00000   0.00250  -0.00036   0.00213   5.97756
    R7        6.69932   0.00000  -0.00081   0.00020  -0.00060   6.69872
    R8        6.22837   0.00000   0.00015   0.00025   0.00039   6.22876
    R9        6.65570   0.00001   0.00026  -0.00016   0.00009   6.65580
   R10        6.07608   0.00000   0.00043  -0.00062  -0.00019   6.07589
   R11        6.96043   0.00000  -0.00027   0.00082   0.00054   6.96097
   R12        6.03169   0.00000  -0.00025   0.00032   0.00007   6.03176
   R13        6.87177   0.00001   0.00011   0.00045   0.00056   6.87233
   R14        6.19402  -0.00001  -0.00025   0.00057   0.00035   6.19437
   R15        6.87307   0.00000  -0.00051   0.00097   0.00049   6.87356
   R16        5.96463   0.00000   0.00013   0.00002   0.00013   5.96476
   R17        6.68392   0.00000  -0.00036   0.00040   0.00005   6.68397
   R18        6.67426   0.00007  -0.00344  -0.00131  -0.00469   6.66957
   R19        6.20786   0.00004   0.00031   0.00128   0.00173   6.20958
   R20        6.62376  -0.00004   0.00110  -0.00060   0.00055   6.62431
   R21        6.04642  -0.00006  -0.00203   0.00049  -0.00178   6.04465
   R22        6.92813   0.00001   0.00100   0.00153   0.00263   6.93076
   R23        5.96475   0.00001   0.00109   0.00023   0.00133   5.96609
   R24        2.34990   0.00001  -0.00002  -0.00002  -0.00004   2.34987
   R25        2.57154  -0.00002  -0.00005  -0.00001  -0.00007   2.57147
   R26        2.09457   0.00002   0.00000   0.00005   0.00004   2.09461
   R27        2.76529   0.00001   0.00012  -0.00009   0.00003   2.76533
   R28        2.76835  -0.00001  -0.00002  -0.00009  -0.00011   2.76824
   R29        2.07656   0.00000  -0.00003   0.00000  -0.00002   2.07654
   R30        2.08269  -0.00003   0.00000  -0.00010  -0.00012   2.08258
   R31        2.08295   0.00000   0.00004   0.00000   0.00004   2.08299
   R32        2.08117   0.00000  -0.00001  -0.00001  -0.00002   2.08115
   R33        2.07465   0.00000   0.00001   0.00000   0.00001   2.07466
   R34        2.08350   0.00000   0.00003   0.00001   0.00003   2.08353
   R35        2.34882   0.00001   0.00000   0.00002   0.00002   2.34883
   R36        2.57155   0.00000   0.00003  -0.00001   0.00002   2.57157
   R37        2.09407   0.00000   0.00000   0.00000   0.00001   2.09408
   R38        2.76859   0.00000   0.00001   0.00000   0.00002   2.76861
   R39        2.76503   0.00000   0.00001  -0.00002  -0.00001   2.76503
   R40        2.08174  -0.00001   0.00001   0.00000   0.00001   2.08175
   R41        2.08401   0.00000   0.00000   0.00000   0.00000   2.08401
   R42        2.07438   0.00000   0.00001  -0.00002  -0.00001   2.07437
   R43        2.08323   0.00000   0.00000  -0.00001  -0.00001   2.08322
   R44        2.08362  -0.00002  -0.00001  -0.00004  -0.00002   2.08360
   R45        2.07669   0.00000   0.00000   0.00000   0.00000   2.07669
   R46        2.34850   0.00004   0.00000   0.00002   0.00002   2.34853
   R47        2.57160   0.00004   0.00004   0.00002   0.00003   2.57163
   R48        2.09353   0.00000   0.00000  -0.00001  -0.00001   2.09353
   R49        2.76485   0.00002   0.00002   0.00002  -0.00001   2.76484
   R50        2.76878   0.00001   0.00001   0.00000   0.00000   2.76878
   R51        2.08435   0.00000   0.00000   0.00001   0.00000   2.08435
   R52        2.08216   0.00002   0.00003   0.00005   0.00001   2.08217
   R53        2.07606   0.00000   0.00001  -0.00001   0.00000   2.07606
   R54        2.08517   0.00000   0.00000   0.00000  -0.00001   2.08516
   R55        2.07388   0.00000   0.00002  -0.00001   0.00001   2.07389
   R56        2.07815   0.00000   0.00000   0.00000   0.00001   2.07816
   R57        2.34805   0.00010  -0.00004   0.00007   0.00003   2.34808
   R58        2.57204   0.00008   0.00006   0.00002   0.00000   2.57204
   R59        2.09570   0.00002   0.00001   0.00003   0.00004   2.09575
   R60        2.76914  -0.00008   0.00000  -0.00018  -0.00028   2.76886
   R61        2.76493  -0.00001  -0.00003   0.00001  -0.00006   2.76487
   R62        2.07457  -0.00001  -0.00004   0.00004  -0.00001   2.07456
   R63        2.08394   0.00001  -0.00001   0.00001   0.00000   2.08394
   R64        2.07996   0.00010   0.00018   0.00009   0.00012   2.08008
   R65        2.07635  -0.00001   0.00001  -0.00002  -0.00001   2.07634
   R66        2.08400  -0.00002   0.00000  -0.00005  -0.00006   2.08395
   R67        2.08313  -0.00001  -0.00002  -0.00005  -0.00007   2.08306
    A1        0.67984   0.00000  -0.00009   0.00017   0.00008   0.67991
    A2        0.95635   0.00000  -0.00003   0.00030   0.00028   0.95663
    A3        0.72760   0.00000  -0.00008  -0.00018  -0.00026   0.72734
    A4        1.01957  -0.00001  -0.00013  -0.00015  -0.00028   1.01929
    A5        2.34013   0.00000   0.00015  -0.00028  -0.00013   2.34000
    A6        2.01978   0.00000   0.00007  -0.00004   0.00002   2.01980
    A7        1.97397   0.00000  -0.00003   0.00032   0.00029   1.97426
    A8        1.68000   0.00000  -0.00005   0.00042   0.00036   1.68036
    A9        1.65058   0.00000   0.00010  -0.00013  -0.00005   1.65053
   A10        1.36882   0.00000   0.00009  -0.00006   0.00000   1.36882
   A11        1.73553  -0.00001   0.00009  -0.00018  -0.00008   1.73545
   A12        2.04013  -0.00001   0.00010  -0.00032  -0.00022   2.03991
   A13        1.94393  -0.00001   0.00006  -0.00042  -0.00036   1.94357
   A14        2.03018  -0.00001   0.00016  -0.00075  -0.00059   2.02959
   A15        2.43529   0.00000   0.00009  -0.00023  -0.00014   2.43515
   A16        1.55040   0.00001  -0.00111   0.00107  -0.00006   1.55033
   A17        1.76177   0.00001  -0.00103   0.00092  -0.00012   1.76164
   A18        1.55751   0.00001  -0.00071   0.00059  -0.00015   1.55735
   A19        1.69952   0.00001  -0.00103   0.00056  -0.00045   1.69907
   A20        2.17166   0.00000  -0.00115   0.00082  -0.00031   2.17135
   A21        2.39317   0.00000  -0.00105   0.00090  -0.00012   2.39304
   A22        0.64218   0.00000  -0.00019   0.00017  -0.00002   0.64216
   A23        0.65930   0.00000  -0.00010   0.00001  -0.00009   0.65921
   A24        2.39177   0.00000   0.00033  -0.00012   0.00021   2.39198
   A25        2.21665   0.00000   0.00023   0.00016   0.00038   2.21703
   A26        2.31515   0.00000   0.00005   0.00042   0.00046   2.31560
   A27        2.05011   0.00000  -0.00003   0.00051   0.00047   2.05057
   A28        1.80944   0.00000   0.00022   0.00020   0.00041   1.80985
   A29        1.56795   0.00000   0.00020   0.00022   0.00039   1.56835
   A30        1.34233  -0.00001   0.00015  -0.00020  -0.00004   1.34229
   A31        1.64122   0.00000   0.00014  -0.00023  -0.00008   1.64114
   A32        1.58971  -0.00001   0.00010  -0.00017  -0.00008   1.58963
   A33        1.74044   0.00000   0.00019  -0.00042  -0.00024   1.74020
   A34        2.03863   0.00000   0.00015  -0.00024  -0.00009   2.03854
   A35        1.80505   0.00001  -0.00116   0.00080  -0.00038   1.80467
   A36        1.88721   0.00000  -0.00110   0.00053  -0.00059   1.88662
   A37        1.55232   0.00001  -0.00080   0.00030  -0.00055   1.55177
   A38        1.57494   0.00000  -0.00107   0.00026  -0.00080   1.57414
   A39        2.25777   0.00000  -0.00112   0.00026  -0.00084   2.25694
   A40        2.35386   0.00000  -0.00077   0.00042  -0.00032   2.35355
   A41        0.68835   0.00000  -0.00016   0.00022   0.00006   0.68841
   A42        0.74566  -0.00001  -0.00032   0.00038   0.00006   0.74571
   A43        2.65726   0.00000   0.00023   0.00020   0.00043   2.65769
   A44        2.59482   0.00000   0.00010   0.00047   0.00057   2.59538
   A45        2.65250   0.00000  -0.00013   0.00043   0.00029   2.65279
   A46        2.34775   0.00000  -0.00016   0.00040   0.00024   2.34799
   A47        2.18735   0.00000   0.00008   0.00054   0.00060   2.18795
   A48        1.95266   0.00000   0.00005   0.00049   0.00052   1.95318
   A49        1.09928  -0.00001   0.00008   0.00000   0.00008   1.09936
   A50        1.45910  -0.00001   0.00004   0.00003   0.00008   1.45918
   A51        1.55814  -0.00001  -0.00006   0.00022   0.00014   1.55828
   A52        1.79274   0.00000   0.00000   0.00005   0.00003   1.79278
   A53        1.78661  -0.00001   0.00009  -0.00008   0.00001   1.78663
   A54        1.65929   0.00001  -0.00084   0.00032  -0.00054   1.65875
   A55        1.61426   0.00000  -0.00084   0.00002  -0.00082   1.61344
   A56        1.22480   0.00001  -0.00059  -0.00011  -0.00074   1.22405
   A57        1.20017   0.00000  -0.00088  -0.00008  -0.00096   1.19922
   A58        1.92863   0.00000  -0.00080  -0.00027  -0.00104   1.92759
   A59        1.97764   0.00000  -0.00051   0.00006  -0.00043   1.97721
   A60        0.83917  -0.00001  -0.00042  -0.00012  -0.00054   0.83863
   A61        0.77508  -0.00001  -0.00070  -0.00002  -0.00072   0.77436
   A62        2.60010   0.00000  -0.00014  -0.00034  -0.00047   2.59963
   A63        2.76150   0.00000  -0.00014   0.00012  -0.00002   2.76148
   A64        2.60717   0.00000   0.00000   0.00056   0.00058   2.60774
   A65        2.38556   0.00000  -0.00015   0.00034   0.00019   2.38575
   A66        2.19063   0.00000  -0.00010   0.00037   0.00025   2.19089
   A67        0.85682  -0.00001  -0.00021  -0.00022  -0.00043   0.85638
   A68        1.23292  -0.00001  -0.00026  -0.00023  -0.00050   1.23242
   A69        1.41086  -0.00001  -0.00046  -0.00013  -0.00061   1.41025
   A70        1.68137   0.00000  -0.00042  -0.00028  -0.00072   1.68065
   A71        1.52360   0.00000  -0.00009  -0.00028  -0.00037   1.52323
   A72        1.67579   0.00001  -0.00024   0.00062   0.00037   1.67615
   A73        1.52632   0.00000  -0.00033   0.00027  -0.00007   1.52626
   A74        1.10266   0.00001  -0.00018   0.00021  -0.00001   1.10265
   A75        1.00144   0.00000  -0.00055   0.00012  -0.00043   1.00100
   A76        1.76622   0.00000  -0.00032  -0.00013  -0.00044   1.76578
   A77        1.75612   0.00000  -0.00014   0.00016   0.00002   1.75614
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   A79        1.93517   0.00000   0.00032   0.00032   0.00063   1.93580
   A80        2.21188   0.00000   0.00021   0.00056   0.00077   2.21265
   A81        2.06811   0.00000   0.00009   0.00075   0.00083   2.06894
   A82        1.54645   0.00000   0.00027   0.00046   0.00072   1.54717
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   A87        1.32217   0.00000   0.00022  -0.00044  -0.00022   1.32195
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   A91        1.91191   0.00001  -0.00076   0.00010  -0.00070   1.91121
   A92        1.83962  -0.00001  -0.00093  -0.00001  -0.00093   1.83869
   A93        2.60447  -0.00001  -0.00083  -0.00021  -0.00100   2.60348
   A94        2.55038   0.00000  -0.00012  -0.00012  -0.00021   2.55017
   A95        1.91286   0.00001   0.00055  -0.00019   0.00037   1.91323
   A96        1.98935   0.00001   0.00056   0.00010   0.00066   1.99001
   A97        2.36394   0.00001   0.00048   0.00027   0.00076   2.36470
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   A126       1.50187   0.00000   0.00066  -0.00045   0.00021   1.50209
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   A132       1.21105   0.00000   0.00037  -0.00005   0.00034   1.21139
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   A134       1.80950  -0.00001   0.00019  -0.00048  -0.00025   1.80925
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   A138       1.74299   0.00000   0.00051  -0.00014   0.00038   1.74337
   A139       1.71022   0.00000   0.00042  -0.00054  -0.00011   1.71011
   A140       0.70472   0.00000   0.00001  -0.00004  -0.00003   0.70469
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   A143       2.11869   0.00001   0.00024  -0.00027  -0.00002   2.11867
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   A147       1.38347  -0.00001   0.00017  -0.00048  -0.00028   1.38319
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   A149       2.03709  -0.00001   0.00022  -0.00036  -0.00011   2.03698
   A150       2.21010   0.00001   0.00052  -0.00044   0.00009   2.21018
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   A305       2.13018   0.00000   0.00007   0.00008   0.00016   2.13033
   A306       1.96072   0.00001  -0.00009   0.00008  -0.00003   1.96069
   A307       2.12433   0.00000   0.00031  -0.00012   0.00013   2.12445
   A308       2.12202   0.00000  -0.00014   0.00011   0.00003   2.12205
   A309       2.03616   0.00000  -0.00022  -0.00005  -0.00027   2.03589
   A310       1.34506  -0.00003   0.00247  -0.00117   0.00116   1.34623
   A311       3.01091   0.00002  -0.00257   0.00137  -0.00113   3.00979
   A312       1.90866   0.00000  -0.00005   0.00004   0.00011   1.90876
   A313       1.93151  -0.00003  -0.00076   0.00008   0.00021   1.93172
   A314       1.90297   0.00003   0.00013   0.00007   0.00026   1.90323
   A315       1.91196   0.00001   0.00032  -0.00039  -0.00046   1.91150
   A316       1.91170  -0.00003   0.00026  -0.00002   0.00004   1.91175
   A317       1.89690   0.00003   0.00010   0.00023  -0.00016   1.89674
   A318       1.72231   0.00000   0.00028   0.00172   0.00200   1.72431
   A319       1.91372   0.00000   0.00004  -0.00002   0.00002   1.91374
   A320       1.91448   0.00001  -0.00005   0.00032   0.00026   1.91474
   A321       1.92447   0.00000  -0.00003  -0.00021  -0.00024   1.92423
   A322       1.90522  -0.00001   0.00006  -0.00001   0.00005   1.90527
   A323       1.91122   0.00000  -0.00002  -0.00005  -0.00007   1.91116
   A324       1.89452   0.00000  -0.00001  -0.00003  -0.00002   1.89449
   A325       2.93032   0.00000  -0.00005   0.00062   0.00056   2.93089
   A326       3.35010   0.00000  -0.00094   0.00043  -0.00050   3.34960
   A327       3.06834   0.00001  -0.00095   0.00050  -0.00045   3.06789
   A328       3.19430   0.00001  -0.00094   0.00131   0.00037   3.19467
   A329       3.25948   0.00000  -0.00010   0.00019   0.00009   3.25957
   A330       3.26096   0.00000  -0.00062   0.00080   0.00017   3.26113
   A331       3.63354   0.00000   0.00027   0.00167   0.00194   3.63547
   A332       3.21124   0.00000  -0.00023   0.00013  -0.00010   3.21114
   A333       3.00817   0.00001  -0.00005  -0.00020  -0.00024   3.00793
   A334       2.94415   0.00001  -0.00005  -0.00018  -0.00021   2.94394
   A335       3.22909   0.00000  -0.00081   0.00015  -0.00066   3.22843
   A336       3.07977   0.00000   0.00006  -0.00020  -0.00014   3.07963
   A337       3.10346   0.00000   0.00023  -0.00035  -0.00013   3.10334
   A338       3.03776  -0.00001   0.00017  -0.00021  -0.00006   3.03771
    D1        2.75896   0.00000  -0.00057  -0.00004  -0.00060   2.75835
    D2       -1.36123   0.00000  -0.00026   0.00018  -0.00008  -1.36131
    D3        2.78241   0.00000  -0.00101  -0.00086  -0.00187   2.78054
    D4       -1.33778   0.00000  -0.00070  -0.00065  -0.00135  -1.33912
    D5        1.66404   0.00000  -0.00041  -0.00045  -0.00086   1.66318
    D6       -2.45614   0.00000  -0.00010  -0.00024  -0.00034  -2.45649
    D7        1.84579   0.00001  -0.00019  -0.00082  -0.00102   1.84477
    D8       -2.27440   0.00001   0.00012  -0.00061  -0.00049  -2.27489
    D9        0.32224   0.00000  -0.00081  -0.00057  -0.00139   0.32086
   D10        2.48524   0.00000  -0.00050  -0.00036  -0.00086   2.48438
   D11        0.03943   0.00000  -0.00079  -0.00091  -0.00171   0.03772
   D12        2.20243   0.00000  -0.00049  -0.00070  -0.00119   2.20124
   D13       -0.42883   0.00000  -0.00077  -0.00099  -0.00177  -0.43060
   D14        1.73417   0.00000  -0.00046  -0.00078  -0.00125   1.73292
   D15       -0.54838   0.00000  -0.00068  -0.00127  -0.00195  -0.55034
   D16        1.61462   0.00000  -0.00038  -0.00105  -0.00143   1.61318
   D17        0.22008   0.00000  -0.00069  -0.00126  -0.00196   0.21813
   D18        2.38308   0.00000  -0.00038  -0.00105  -0.00144   2.38165
   D19        0.15607   0.00000  -0.00069  -0.00123  -0.00193   0.15414
   D20        2.31907   0.00000  -0.00038  -0.00102  -0.00141   2.31766
   D21        2.40529   0.00001  -0.00019  -0.00139  -0.00158   2.40371
   D22       -1.71489   0.00001   0.00012  -0.00118  -0.00106  -1.71595
   D23        2.16037   0.00000  -0.00018  -0.00153  -0.00170   2.15867
   D24       -1.95981   0.00000   0.00013  -0.00131  -0.00118  -1.96100
   D25        1.71857   0.00000  -0.00023  -0.00136  -0.00157   1.71700
   D26       -2.40162   0.00000   0.00008  -0.00114  -0.00105  -2.40267
   D27        1.41129  -0.00001  -0.00028  -0.00129  -0.00154   1.40975
   D28       -2.70890  -0.00001   0.00003  -0.00107  -0.00101  -2.70991
   D29        2.36960  -0.00001  -0.00006  -0.00195  -0.00200   2.36760
   D30       -1.75058  -0.00001   0.00025  -0.00173  -0.00148  -1.75207
   D31       -1.78681   0.00000  -0.00050  -0.00090  -0.00141  -1.78822
   D32        0.37619   0.00001  -0.00019  -0.00069  -0.00089   0.37530
   D33       -2.12300  -0.00001  -0.00065  -0.00111  -0.00177  -2.12476
   D34        0.04000   0.00000  -0.00034  -0.00090  -0.00124   0.03876
   D35       -2.50387   0.00001  -0.00066  -0.00095  -0.00164  -2.50551
   D36       -0.34087   0.00001  -0.00035  -0.00074  -0.00111  -0.34199
   D37       -2.78808  -0.00001  -0.00064  -0.00106  -0.00172  -2.78980
   D38       -0.62508  -0.00001  -0.00033  -0.00084  -0.00120  -0.62628
   D39       -2.12673  -0.00001  -0.00053  -0.00150  -0.00202  -2.12875
   D40        0.03626  -0.00001  -0.00022  -0.00129  -0.00150   0.03477
   D41       -2.37265   0.00000  -0.00003  -0.00125  -0.00125  -2.37390
   D42       -0.20965   0.00000   0.00028  -0.00104  -0.00073  -0.21038
   D43        1.26142   0.00001   0.00045   0.00149   0.00194   1.26336
   D44       -1.92593   0.00000   0.00273  -0.00030   0.00243  -1.92350
   D45        2.45748   0.00000   0.00052   0.00085   0.00137   2.45884
   D46       -0.72987   0.00000   0.00280  -0.00094   0.00185  -0.72802
   D47        2.94400   0.00000   0.00073   0.00048   0.00121   2.94521
   D48       -0.24334   0.00000   0.00301  -0.00131   0.00169  -0.24165
   D49        2.85757   0.00001   0.00037   0.00089   0.00126   2.85883
   D50       -0.32978   0.00001   0.00264  -0.00091   0.00175  -0.32803
   D51        2.05062   0.00000   0.00008   0.00032   0.00038   2.05100
   D52       -1.13673   0.00000   0.00236  -0.00147   0.00087  -1.13586
   D53        1.17088   0.00000   0.00007  -0.00045  -0.00039   1.17050
   D54       -2.01646   0.00000   0.00235  -0.00225   0.00010  -2.01637
   D55        1.02933   0.00000   0.00031  -0.00033  -0.00001   1.02932
   D56       -2.15802   0.00000   0.00259  -0.00213   0.00047  -2.15754
   D57        2.02651   0.00000   0.00032   0.00016   0.00047   2.02697
   D58       -1.16084   0.00000   0.00260  -0.00163   0.00095  -1.15989
   D59        1.83377   0.00000   0.00034   0.00032   0.00064   1.83441
   D60       -1.35358   0.00000   0.00262  -0.00147   0.00113  -1.35246
   D61       -2.27375   0.00001   0.00091  -0.00005   0.00086  -2.27290
   D62        0.82208   0.00001   0.00318  -0.00184   0.00134   0.82342
   D63       -2.41037   0.00000   0.00082   0.00012   0.00094  -2.40943
   D64        0.68547   0.00000   0.00310  -0.00167   0.00142   0.68689
   D65       -2.81301   0.00000   0.00075   0.00023   0.00099  -2.81202
   D66        0.28283   0.00000   0.00303  -0.00156   0.00148   0.28431
   D67       -2.99105   0.00000   0.00075   0.00015   0.00091  -2.99013
   D68        0.10479   0.00000   0.00303  -0.00165   0.00140   0.10619
   D69       -2.13515   0.00000   0.00080   0.00021   0.00101  -2.13414
   D70        0.96069   0.00000   0.00308  -0.00158   0.00149   0.96218
   D71       -0.16656   0.00000   0.00121   0.00013   0.00134  -0.16522
   D72        2.92927   0.00000   0.00349  -0.00166   0.00183   2.93110
   D73       -0.56042   0.00000   0.00102   0.00008   0.00112  -0.55930
   D74        2.53541   0.00000   0.00330  -0.00171   0.00161   2.53702
   D75       -0.74666   0.00001   0.00076   0.00038   0.00116  -0.74550
   D76        2.34918   0.00001   0.00303  -0.00141   0.00164   2.35082
   D77       -1.08443  -0.00001   0.00084   0.00030   0.00112  -1.08330
   D78        2.01141  -0.00001   0.00312  -0.00150   0.00161   2.01302
   D79       -0.83015  -0.00001   0.00131  -0.00011   0.00120  -0.82895
   D80        2.26568  -0.00001   0.00359  -0.00191   0.00169   2.26737
   D81       -1.13676   0.00000   0.00151   0.00013   0.00163  -1.13513
   D82        1.95907   0.00000   0.00379  -0.00167   0.00212   1.96119
   D83       -1.53425   0.00000  -0.00065   0.00064  -0.00001  -1.53426
   D84       -2.60939   0.00000  -0.00067   0.00036  -0.00030  -2.60969
   D85       -2.94759   0.00000  -0.00109  -0.00011  -0.00119  -2.94878
   D86        0.73248   0.00000  -0.00079   0.00030  -0.00049   0.73200
   D87        0.31018   0.00000  -0.00089   0.00023  -0.00066   0.30952
   D88       -0.06545   0.00000  -0.00102   0.00036  -0.00067  -0.06611
   D89       -0.40025   0.00000  -0.00097   0.00011  -0.00087  -0.40112
   D90        0.18429   0.00000  -0.00080  -0.00005  -0.00085   0.18344
   D91       -0.05270   0.00000  -0.00078   0.00006  -0.00074  -0.05344
   D92        2.40307   0.00001  -0.00051  -0.00019  -0.00070   2.40237
   D93        2.05413   0.00000  -0.00049  -0.00019  -0.00068   2.05346
   D94        1.66146   0.00000  -0.00048  -0.00024  -0.00070   1.66076
   D95        1.37398   0.00000  -0.00049  -0.00024  -0.00071   1.37327
   D96        2.05570   0.00000  -0.00047  -0.00013  -0.00060   2.05510
   D97       -1.93175   0.00001  -0.00028  -0.00021  -0.00057  -1.93232
   D98       -2.44391  -0.00001  -0.00012  -0.00063  -0.00074  -2.44464
   D99       -2.67182   0.00001  -0.00037  -0.00011  -0.00048  -2.67230
   D100      -2.99570  -0.00001  -0.00009  -0.00016  -0.00028  -2.99598
   D101      -2.87903  -0.00001   0.00104  -0.00138  -0.00025  -2.87928
   D102       2.86911   0.00000   0.00141  -0.00097   0.00040   2.86951
   D103      -2.89415   0.00000   0.00020  -0.00118  -0.00098  -2.89513
   D104       1.20291   0.00000   0.00035  -0.00119  -0.00084   1.20208
   D105       2.81881   0.00000   0.00017  -0.00094  -0.00077   2.81804
   D106       0.63269   0.00000   0.00032  -0.00095  -0.00064   0.63206
   D107       2.32393  -0.00001   0.00016  -0.00110  -0.00095   2.32298
   D108       0.13781  -0.00001   0.00031  -0.00111  -0.00081   0.13700
   D109       1.76520   0.00000   0.00015  -0.00101  -0.00087   1.76433
   D110      -0.42092   0.00000   0.00030  -0.00102  -0.00073  -0.42165
   D111       2.59881   0.00000   0.00004  -0.00100  -0.00096   2.59785
   D112       0.41268   0.00000   0.00019  -0.00101  -0.00082   0.41186
   D113       2.26172   0.00000  -0.00010  -0.00083  -0.00093   2.26079
   D114       0.07560   0.00000   0.00005  -0.00084  -0.00079   0.07481
   D115      -1.61124   0.00000  -0.00003  -0.00012  -0.00015  -1.61139
   D116       2.48582   0.00000   0.00012  -0.00013  -0.00001   2.48581
   D117      -1.77344   0.00000  -0.00004  -0.00008  -0.00012  -1.77355
   D118       2.32363   0.00000   0.00011  -0.00009   0.00002   2.32365
   D119      -2.73481   0.00000   0.00001  -0.00009  -0.00008  -2.73489
   D120       1.36226   0.00000   0.00016  -0.00010   0.00006   1.36232
   D121      -2.69817   0.00000   0.00007  -0.00039  -0.00032  -2.69850
   D122       1.39889   0.00000   0.00022  -0.00040  -0.00018   1.39871
   D123       1.33229   0.00000  -0.00037  -0.00036  -0.00074   1.33155
   D124      -0.85383   0.00000  -0.00022  -0.00038  -0.00060  -0.85444
   D125       1.30148   0.00000  -0.00025  -0.00038  -0.00063   1.30085
   D126      -0.88464   0.00000  -0.00010  -0.00039  -0.00049  -0.88513
   D127       1.65671   0.00000  -0.00017  -0.00044  -0.00061   1.65610
   D128      -0.52941   0.00000  -0.00002  -0.00045  -0.00047  -0.52988
   D129       1.78096   0.00001  -0.00021  -0.00015  -0.00038   1.78058
   D130      -0.40516   0.00001  -0.00006  -0.00016  -0.00024  -0.40540
   D131       0.90062   0.00000  -0.00021  -0.00038  -0.00059   0.90004
   D132      -1.28550   0.00000  -0.00006  -0.00039  -0.00045  -1.28595
   D133      -0.94433   0.00000  -0.00084  -0.00025  -0.00105  -0.94539
   D134      -3.13045   0.00000  -0.00069  -0.00026  -0.00092  -3.13137
   D135      -0.51425   0.00000  -0.00048  -0.00025  -0.00073  -0.51498
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   D138      -2.38298  -0.00001  -0.00007  -0.00055  -0.00063  -2.38361
   D139       0.20780   0.00001  -0.00003  -0.00056  -0.00057   0.20723
   D140      -1.97832   0.00001   0.00012  -0.00057  -0.00044  -1.97875
   D141      -0.30850   0.00000  -0.00055  -0.00013  -0.00066  -0.30916
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   D147      -2.40745   0.00000   0.00051   0.00043   0.00093  -2.40652
   D148       3.01112   0.00000   0.00040  -0.00083  -0.00042   3.01069
   D149       2.63111   0.00000   0.00044  -0.00102  -0.00057   2.63054
   D150       1.51865   0.00000  -0.00001  -0.00011  -0.00012   1.51853
   D151       2.61980   0.00000   0.00004  -0.00019  -0.00015   2.61965
   D152       2.99420   0.00000   0.00009  -0.00042  -0.00032   2.99387
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   D154       1.25256   0.00000  -0.00031  -0.00036  -0.00068   1.25189
   D155       1.64274   0.00000  -0.00010  -0.00044  -0.00056   1.64218
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   D175       0.64706   0.00000   0.00024  -0.00030  -0.00006   0.64700
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   D280       0.82109   0.00001   0.00113  -0.00004   0.00109   0.82218
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   D408       1.88883   0.00001  -0.00042   0.00013  -0.00030   1.88853
   D409       2.37899   0.00001  -0.00089   0.00040  -0.00052   2.37847
   D410       2.61115   0.00001  -0.00076  -0.00001  -0.00078   2.61037
   D411       2.84481   0.00000  -0.00041   0.00021  -0.00019   2.84462
   D412       2.79282   0.00001  -0.00197   0.00118  -0.00087   2.79195
   D413      -2.99247   0.00000  -0.00210   0.00061  -0.00148  -2.99395
   D414      -0.77519   0.00000  -0.00028  -0.00032  -0.00061  -0.77579
   D415      -0.39393   0.00000  -0.00012  -0.00034  -0.00048  -0.39440
   D416      -0.08548   0.00000  -0.00038  -0.00031  -0.00070  -0.08618
   D417       0.22361   0.00000  -0.00033  -0.00031  -0.00065   0.22296
   D418      -0.25641   0.00000   0.00028  -0.00041  -0.00015  -0.25655
   D419       0.05917   0.00000   0.00059  -0.00067  -0.00011   0.05905
   D420      -2.58567  -0.00001  -0.00061  -0.00004  -0.00064  -2.58631
   D421      -2.20265   0.00000  -0.00061  -0.00007  -0.00066  -2.20331
   D422      -1.96199   0.00000  -0.00095  -0.00004  -0.00098  -1.96297
   D423      -1.64647   0.00000  -0.00080  -0.00022  -0.00104  -1.64750
   D424      -1.98431   0.00000  -0.00027  -0.00010  -0.00036  -1.98467
   D425       1.34373  -0.00002  -0.00043  -0.00093  -0.00131   1.34242
   D426       2.49030  -0.00002   0.00001  -0.00074  -0.00072   2.48958
   D427       2.95480   0.00001  -0.00044  -0.00047  -0.00078   2.95401
   D428      -3.06883  -0.00003  -0.00262  -0.00006  -0.00269  -3.07152
   D429       0.03035  -0.00003  -0.00017  -0.00008  -0.00025   0.03010
   D430       0.04450  -0.00003  -0.00269   0.00004  -0.00265   0.04186
   D431      -3.13950  -0.00003  -0.00023   0.00002  -0.00021  -3.13971
   D432      -0.08485   0.00000   0.00241   0.00210   0.00452  -0.08034
   D433       2.01424   0.00000   0.00285   0.00174   0.00460   2.01884
   D434      -2.18243   0.00000   0.00250   0.00191   0.00441  -2.17801
   D435       3.09698   0.00000   0.00008   0.00213   0.00220   3.09918
   D436      -1.08712   0.00000   0.00052   0.00176   0.00228  -1.08483
   D437       0.99940   0.00000   0.00017   0.00193   0.00210   1.00150
   D438      -2.36741   0.00000  -0.00224   0.00016  -0.00208  -2.36949
   D439      -0.27686   0.00000  -0.00228   0.00011  -0.00217  -0.27903
   D440       1.83020   0.00000  -0.00229   0.00014  -0.00215   1.82805
   D441       0.73389   0.00000   0.00010   0.00013   0.00024   0.73412
   D442       2.82444   0.00000   0.00006   0.00008   0.00015   2.82459
   D443      -1.35169   0.00000   0.00005   0.00012   0.00017  -1.35152
   D444      -0.00142   0.00001   0.00053  -0.00030   0.00024  -0.00118
   D445       3.11482   0.00000  -0.00010  -0.00020  -0.00030   3.11452
   D446      -3.12150   0.00001   0.00065  -0.00033   0.00032  -3.12118
   D447      -0.00526   0.00001   0.00002  -0.00024  -0.00022  -0.00548
   D448       2.42857   0.00000  -0.00034  -0.00034  -0.00067   2.42790
   D449      -1.77003   0.00000  -0.00031  -0.00038  -0.00069  -1.77072
   D450       0.33795   0.00000  -0.00032  -0.00037  -0.00069   0.33726
   D451      -0.68889   0.00000   0.00027  -0.00043  -0.00016  -0.68904
   D452       1.39570   0.00000   0.00029  -0.00047  -0.00018   1.39552
   D453      -2.77951   0.00001   0.00028  -0.00046  -0.00018  -2.77969
   D454       2.05915   0.00000   0.00038   0.00060   0.00098   2.06012
   D455      -2.13953   0.00001   0.00038   0.00063   0.00102  -2.13851
   D456      -0.04629   0.00000   0.00038   0.00066   0.00104  -0.04525
   D457      -1.10656   0.00000  -0.00022   0.00069   0.00046  -1.10610
   D458       0.97795   0.00000  -0.00022   0.00072   0.00051   0.97846
   D459       3.07118   0.00000  -0.00022   0.00075   0.00053   3.07171
   D460      -3.08730   0.00000   0.00035  -0.00055  -0.00019  -3.08748
   D461      -0.02786   0.00001   0.00041  -0.00067  -0.00027  -0.02812
   D462       0.06752   0.00000   0.00039  -0.00057  -0.00017   0.06735
   D463       3.12696   0.00000   0.00045  -0.00070  -0.00025   3.12671
   D464       1.93714  -0.00001  -0.00070   0.00108   0.00037   1.93751
   D465      -2.26303   0.00000  -0.00058   0.00094   0.00035  -2.26268
   D466      -0.17047  -0.00001  -0.00068   0.00112   0.00043  -0.17004
   D467      -1.12560  -0.00001  -0.00074   0.00119   0.00045  -1.12515
   D468       0.95741   0.00000  -0.00062   0.00106   0.00043   0.95784
   D469       3.04998  -0.00001  -0.00072   0.00123   0.00051   3.05048
   D470      -1.64376   0.00000   0.00083  -0.00101  -0.00017  -1.64394
   D471       0.46069   0.00000   0.00086  -0.00105  -0.00019   0.46050
   D472       2.55218   0.00000   0.00075  -0.00091  -0.00016   2.55202
   D473       1.41931   0.00000   0.00087  -0.00111  -0.00025   1.41906
   D474      -2.75942   0.00000   0.00090  -0.00115  -0.00027  -2.75969
   D475      -0.66793   0.00000   0.00079  -0.00102  -0.00024  -0.66817
   D476       0.00238  -0.00001  -0.00030  -0.00084  -0.00116   0.00122
   D477      -3.09807   0.00002   0.00094   0.00105   0.00201  -3.09606
   D478       3.11924  -0.00003  -0.00047  -0.00080  -0.00128   3.11796
   D479       0.01880  -0.00001   0.00077   0.00109   0.00189   0.02068
   D480      -0.33283  -0.00001   0.00445   0.00056   0.00491  -0.32792
   D481       1.77496  -0.00002   0.00435   0.00016   0.00454   1.77950
   D482      -2.42268   0.00001   0.00409   0.00053   0.00464  -2.41805
   D483       2.76954  -0.00003   0.00327  -0.00124   0.00190   2.77144
   D484      -1.40585  -0.00004   0.00317  -0.00164   0.00153  -1.40432
   D485       0.67969  -0.00001   0.00291  -0.00127   0.00163   0.68131
   D486       0.00928  -0.00001  -0.00190  -0.00314  -0.00507   0.00422
   D487       2.10130  -0.00001  -0.00184  -0.00297  -0.00483   2.09646
   D488      -2.09639  -0.00001  -0.00189  -0.00294  -0.00485  -2.10124
   D489      -3.09314   0.00002  -0.00074  -0.00134  -0.00206  -3.09521
   D490      -1.00113   0.00001  -0.00067  -0.00117  -0.00183  -1.00296
   D491       1.08436   0.00002  -0.00073  -0.00114  -0.00184   1.08252
         Item               Value     Threshold  Converged?
 Maximum Force            0.000102     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.008474     0.001800     NO 
 RMS     Displacement     0.000960     0.001200     YES
 Predicted change in Energy=-7.562864D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:21:08 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.836406   -0.611662    1.685405
      2          6           0       -2.109116    1.095352   -1.345019
      3          8           0       -2.654890    0.110112   -1.872008
      4          7           0       -0.814991    1.152440   -0.928295
      5          1           0       -2.662688    2.033399   -1.139550
      6          6           0       -0.280103    2.327144   -0.238839
      7          1           0       -1.043049    3.117398   -0.208756
      8          1           0        0.008444    2.056108    0.789654
      9          1           0        0.610607    2.699234   -0.770992
     10          6           0        0.102907    0.023987   -1.101387
     11          1           0        0.676285   -0.120827   -0.172342
     12          1           0       -0.473079   -0.884345   -1.321566
     13          1           0        0.807826    0.223740   -1.925293
     14          6           0       -1.982345   -4.030261    2.611448
     15          8           0       -2.109076   -3.884870    3.839342
     16          7           0       -2.923345   -3.723394    1.677549
     17          1           0       -1.047860   -4.417200    2.158693
     18          6           0       -4.228076   -3.171265    2.050784
     19          1           0       -4.498526   -2.380003    1.333622
     20          1           0       -5.004289   -3.954163    2.023384
     21          1           0       -4.169827   -2.747864    3.061873
     22          6           0       -2.671225   -3.898394    0.246908
     23          1           0       -3.376376   -4.631289   -0.178410
     24          1           0       -2.809213   -2.936264   -0.273650
     25          1           0       -1.641075   -4.249056    0.093662
     26          6           0        1.533856    0.378964    2.626382
     27          8           0        1.350950    1.392781    3.321535
     28          7           0        1.168453   -0.887180    2.965896
     29          1           0        2.016087    0.427717    1.630189
     30          6           0        1.484925   -2.031993    2.111560
     31          1           0        2.238805   -2.675376    2.595615
     32          1           0        0.576146   -2.630983    1.940150
     33          1           0        1.870143   -1.675482    1.146452
     34          6           0        0.530183   -1.173909    4.253196
     35          1           0        1.281355   -1.476541    5.002654
     36          1           0        0.005112   -0.276595    4.604672
     37          1           0       -0.188432   -1.995737    4.120667
     38          6           0       -4.594906    1.231891    2.888965
     39          8           0       -4.839979    1.875656    1.854829
     40          7           0       -3.502169    1.395763    3.683675
     41          1           0       -5.261131    0.422154    3.250073
     42          6           0       -2.470659    2.390934    3.379573
     43          1           0       -2.547859    2.684495    2.324560
     44          1           0       -2.587990    3.281433    4.019383
     45          1           0       -1.479709    1.950079    3.567390
     46          6           0       -3.272164    0.548969    4.854449
     47          1           0       -4.087068   -0.182149    4.947464
     48          1           0       -2.315271    0.012269    4.742984
     49          1           0       -3.224422    1.164915    5.767364
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.488802   0.000000
     3  O    3.721030   1.243498   0.000000
     4  N    3.314630   1.360764   2.315658   0.000000
     5  H    3.957204   1.108418   2.058055   2.057840   0.000000
     6  C    3.842053   2.467029   3.636219   1.463347   2.564035
     7  H    4.257129   2.552697   3.795815   2.104948   2.159783
     8  H    3.364942   3.156571   4.238478   2.108556   3.295041
     9  H    4.794141   3.209180   4.310367   2.109418   3.360600
    10  C    3.454156   2.469864   2.864737   1.464890   3.418729
    11  H    3.163188   3.257717   3.746855   2.101565   4.089611
    12  H    3.312837   2.568340   2.460128   2.102394   3.652499
    13  H    4.552691   3.099190   3.464989   2.118967   3.992083
    14  C    3.544810   6.476235   6.139738   6.383799   7.162460
    15  O    3.927810   7.188895   6.991231   7.055460   7.753823
    16  N    3.296116   5.746234   5.231366   5.916869   6.414410
    17  H    3.915090   6.617439   6.271016   6.372175   7.422689
    18  C    3.522095   5.850255   5.350761   6.262466   6.302158
    19  H    3.215224   4.996248   4.458220   5.582370   5.381915
    20  H    4.617578   6.725011   6.100171   7.234640   7.165064
    21  H    3.450056   6.199802   5.899682   6.510664   6.540941
    22  C    3.683586   5.271404   4.534114   5.507960   6.091675
    23  H    4.690705   5.980079   5.086226   6.369815   6.771352
    24  H    3.191869   4.229882   3.443686   4.595975   5.046663
    25  H    3.975228   5.554418   4.888151   5.559044   6.483344
    26  C    3.636680   5.436587   6.152511   4.330251   5.876256
    27  O    4.105356   5.816980   6.683180   4.775994   6.034979
    28  N    3.277917   5.766878   6.246427   4.822740   6.329463
    29  H    3.990621   5.129805   5.846733   3.884078   5.669268
    30  C    3.637332   5.886031   6.131516   4.966985   6.655811
    31  H    4.657761   6.975056   7.187965   6.032892   7.755557
    32  H    3.156416   5.646994   5.699627   4.947477   6.459959
    33  H    3.893673   5.451555   5.724977   4.417200   6.287142
    34  C    3.537006   6.592075   7.022216   5.836886   7.040096
    35  H    4.633853   7.642178   8.079138   6.817798   8.099496
    36  H    3.467791   6.461503   7.012313   5.773078   6.741611
    37  H    3.249921   6.566398   6.813969   5.982944   7.072890
    38  C    3.529386   4.911661   5.262026   5.372666   4.539252
    39  O    3.903448   4.278494   4.667020   4.946650   3.705642
    40  N    3.285971   5.226720   5.765101   5.343257   4.937085
    41  H    3.904575   5.612776   5.755482   6.144936   5.349468
    42  C    3.505433   4.912333   5.728455   4.778372   4.537310
    43  H    3.432104   4.022894   4.924438   3.991377   3.526637
    44  H    4.600926   5.812493   6.691057   5.670596   5.308273
    45  H    3.198689   5.025780   5.861192   4.614028   4.854036
    46  C    3.667602   6.331241   6.768962   6.312052   6.205080
    47  H    3.986351   6.718605   6.974364   6.856542   6.632440
    48  H    3.157118   6.187031   6.624427   5.976139   6.229757
    49  H    4.663175   7.199634   7.732851   7.115993   6.983929
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098859   0.000000
     8  H    1.102052   1.796885   0.000000
     9  H    1.102272   1.795981   1.792158   0.000000
    10  C    2.489020   3.417483   2.777494   2.742966   0.000000
    11  H    2.629004   3.666542   2.471941   2.883650   1.101299
    12  H    3.394584   4.192512   3.651764   3.784117   1.097865
    13  H    2.907237   3.839986   3.371575   2.738499   1.102557
    14  C    7.172054   7.741115   6.657782   7.965576   5.879656
    15  O    7.652831   8.158141   7.005691   8.485416   6.677039
    16  N    6.875193   7.340987   6.541130   7.728798   5.560895
    17  H    7.198874   7.897785   6.700281   7.872560   5.628191
    18  C    7.145723   7.402513   6.845727   8.114063   6.237246
    19  H    6.513444   6.673880   6.347264   7.505417   5.734250
    20  H    8.178655   8.407190   7.922937   9.143483   7.188416
    21  H    7.195857   7.407770   6.760110   8.198432   6.578158
    22  C    6.686608   7.216641   6.552197   7.438765   4.989868
    23  H    7.616452   8.092434   7.557475   8.365629   5.884632
    24  H    5.839613   6.306376   5.830402   6.610700   4.234228
    25  H    6.723779   7.396873   6.554419   7.355027   4.767443
    26  C    3.910926   4.709295   2.917749   4.216419   4.008726
    27  O    4.026119   4.600923   2.941555   4.359325   4.795149
    28  N    4.764506   5.568284   3.839868   5.209404   4.302140
    29  H    3.517610   4.469274   2.718232   3.591773   3.359280
    30  C    5.257545   6.187951   4.543126   5.608747   4.057100
    31  H    6.277279   7.224354   5.533800   6.547634   5.051381
    32  H    5.483081   6.346926   4.859501   5.980192   4.064945
    33  H    4.750116   5.770179   4.185449   4.939753   3.326274
    34  C    5.752592   6.387439   4.764592   6.344302   5.503552
    35  H    6.661788   7.325703   5.643517   7.156954   6.395283
    36  H    5.506396   5.982216   4.471674   6.174135   5.714808
    37  H    6.140114   6.754141   5.248986   6.827119   5.606605
    38  C    5.440611   5.076091   5.126136   6.530371   6.281034
    39  O    5.037832   4.496330   4.967330   6.105907   6.049795
    40  N    5.160939   4.915518   4.597371   6.201454   6.146150
    41  H    6.372764   6.084410   6.040852   7.472039   6.918573
    42  C    4.230308   3.929622   3.600798   5.178460   5.683721
    43  H    3.441138   2.978178   3.047211   4.422507   5.083501
    44  H    4.936544   4.504543   4.321348   5.789446   6.638838
    45  H    4.008566   3.976503   3.153039   4.873624   5.292634
    46  C    6.168947   6.099330   5.436581   7.165553   6.865763
    47  H    6.905597   6.836641   6.250632   7.941742   7.361181
    48  H    5.858251   5.981647   5.020532   6.795916   6.324903
    49  H    6.789275   6.654666   6.001936   7.733801   7.717032
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795749   0.000000
    13  H    1.791331   1.798070   0.000000
    14  C    5.486481   5.257687   6.816421   0.000000
    15  O    6.166025   6.189880   7.656370   1.242949   0.000000
    16  N    5.418295   4.801947   6.517819   1.360815   2.315699
    17  H    5.183167   4.992358   6.454520   1.108138   2.057702
    18  C    6.188717   5.541006   7.259170   2.468912   2.863274
    19  H    5.843840   5.048885   6.749620   3.269152   3.775279
    20  H    7.196152   6.414385   8.174815   3.079571   3.418299
    21  H    6.391109   6.029361   7.647175   2.575365   2.478697
    22  C    5.064741   4.046782   5.815001   2.466373   3.636176
    23  H    6.063692   4.876015   6.643075   3.176140   4.278496
    24  H    4.481701   3.281162   5.079028   3.194422   4.278639
    25  H    4.741644   3.832540   5.484450   2.550213   3.792332
    26  C    2.969524   4.605435   4.611828   5.639606   5.737814
    27  O    3.866957   5.483683   5.402855   6.405034   6.331943
    28  N    3.267730   4.590966   5.028709   4.464540   4.526726
    29  H    2.311945   4.078028   3.760712   6.068269   6.363625
    30  C    3.085881   4.115487   4.673647   4.032979   4.397183
    31  H    4.077840   5.089835   5.557983   4.433291   4.681217
    32  H    3.282306   3.845831   4.810900   2.992407   3.519884
    33  H    2.362513   3.493952   3.764462   4.746879   5.288405
    34  C    4.551452   5.671715   6.340680   4.143293   3.806083
    35  H    5.383740   6.589727   7.149240   4.784463   4.318375
    36  H    4.826448   5.976481   6.598115   4.691794   4.251490
    37  H    4.763712   5.561845   6.517073   3.104054   2.708660
    38  C    6.243949   6.260710   7.306364   5.881559   5.767479
    39  O    6.206813   6.064396   6.993986   6.604423   6.676810
    40  N    5.884589   6.279070   7.170092   5.735963   5.463518
    41  H    6.874639   6.747760   7.978472   5.566173   5.369651
    42  C    5.369199   6.067824   6.602030   6.485385   6.303003
    43  H    4.949693   5.507774   5.947873   6.744633   6.756009
    44  H    6.308837   7.095935   7.498015   7.470607   7.184544
    45  H    4.787750   5.740135   6.195371   6.077082   5.875090
    46  C    6.427091   6.930543   7.919406   5.259661   4.694906
    47  H    6.993261   7.270127   8.447456   4.969386   4.341720
    48  H    5.755654   6.401278   7.366435   4.582176   4.005843
    49  H    7.221409   7.875423   8.736235   6.204226   5.519202
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056772   0.000000
    18  C    1.465085   3.417275   0.000000
    19  H    2.098614   4.091211   1.101616   0.000000
    20  H    2.122071   3.985730   1.102809   1.791521   0.000000
    21  H    2.102791   3.653642   1.097708   1.797280   1.797204
    22  C    1.463189   2.561131   2.491278   2.612563   2.932945
    23  H    2.115205   3.306035   2.797564   2.934918   2.820727
    24  H    2.107077   3.348406   2.733384   2.397191   3.336291
    25  H    2.104575   2.155117   3.418265   3.632614   3.888702
    26  C    6.131579   5.466917   6.792297   6.758162   7.866825
    27  O    6.866406   6.392369   7.319211   7.238927   8.406192
    28  N    5.142641   4.245546   5.931020   6.083378   6.956828
    29  H    6.452282   5.756762   7.219358   7.100100   8.284995
    30  C    4.741523   3.479430   5.825805   6.043838   6.768486
    31  H    5.346866   3.745266   6.508709   6.860867   7.377340
    32  H    3.675426   2.423990   4.835772   5.116949   5.735764
    33  H    5.239612   4.129938   6.343773   6.410251   7.295150
    34  C    5.006065   4.170863   5.610800   5.938559   6.582723
    35  H    5.812416   4.707530   6.476068   6.905437   7.384036
    36  H    5.387423   4.923025   5.728991   5.950365   6.729164
    37  H    4.053810   3.232869   4.688817   5.147057   5.605935
    38  C    5.368100   6.710221   4.497210   3.933721   5.273706
    39  O    5.920665   7.353403   5.087655   4.301033   5.834569
    40  N    5.528594   6.491513   4.904184   4.557619   5.799537
    41  H    5.012349   6.508618   3.926596   3.479431   4.552239
    42  C    6.362925   7.061558   5.982662   5.573150   6.965542
    43  H    6.451408   7.260275   6.098197   5.516902   7.084951
    44  H    7.393528   8.068651   6.942807   6.550979   7.885199
    45  H    6.151738   6.535531   6.006810   5.731717   7.047459
    46  C    5.335490   6.072682   4.755464   4.741209   5.594048
    47  H    4.958530   5.911826   4.164787   4.249673   4.860003
    48  H    4.870506   5.282527   4.587119   4.702480   5.509957
    49  H    6.380659   6.994279   5.798512   5.817891   6.587129
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390215   0.000000
    23  H    3.830964   1.102392   0.000000
    24  H    3.607281   1.102594   1.789931   0.000000
    25  H    4.178330   1.098935   1.797608   1.795240   0.000000
    26  C    6.519104   6.452937   7.555122   6.185723   6.157388
    27  O    6.905893   7.323097   8.419421   6.998067   7.155537
    28  N    5.654078   5.586003   6.675363   5.524059   5.238834
    29  H    7.099265   6.526836   7.612045   6.182596   6.132532
    30  C    5.778563   4.922800   5.969300   4.994652   4.331184
    31  H    6.425980   5.578583   6.561331   5.812334   4.877469
    32  H    4.878134   3.875412   4.910392   4.056447   3.308134
    33  H    6.426514   5.135614   6.165875   5.050013   4.478873
    34  C    5.097713   5.807079   6.844984   5.894895   5.610046
    35  H    5.924381   6.641188   7.647896   6.833954   6.350248
    36  H    5.090925   6.266603   7.299020   6.228345   6.232142
    37  H    4.187870   4.978993   5.965835   5.202221   4.837808
    38  C    4.006126   6.082831   6.728334   5.528504   6.824926
    39  O    4.825246   6.374053   6.972555   5.639948   7.130694
    40  N    4.242883   6.366312   7.159391   5.908220   6.943763
    41  H    3.357883   5.864618   6.390937   5.450458   6.699846
    42  C    5.421748   7.029186   7.924089   6.468361   7.454857
    43  H    5.717075   6.904077   7.776374   6.197737   7.339843
    44  H    6.306462   8.111005   8.991896   7.559023   8.544952
    45  H    5.437182   6.830076   7.806584   6.355904   7.107889
    46  C    3.858527   6.431919   7.223267   6.217601   6.953171
    47  H    3.185153   6.157135   6.824552   6.039710   6.788373
    48  H    3.726104   5.969480   6.848992   5.839901   6.342683
    49  H    4.850084   7.511229   8.304896   7.313407   8.000560
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242786   0.000000
    28  N    1.360849   2.314737   0.000000
    29  H    1.107846   2.057767   2.057073   0.000000
    30  C    2.465796   3.634703   1.463092   2.562035   0.000000
    31  H    3.134788   4.226719   2.116697   3.257428   1.102990
    32  H    3.232322   4.324260   2.108040   3.394871   1.101839
    33  H    2.554218   3.796681   2.103370   2.163041   1.098602
    34  C    2.462783   2.851236   1.465177   3.413690   2.496887
    35  H    3.025447   3.326261   2.123318   3.942023   2.950998
    36  H    2.584656   2.498907   2.100420   3.658910   3.389229
    37  H    3.292168   3.806621   2.098459   4.115278   2.614947
    38  C    6.193396   5.963741   6.141066   6.777642   6.944180
    39  O    6.592507   6.380596   6.705892   7.010893   7.439088
    40  N    5.245312   4.866613   5.248023   5.966998   6.252372
    41  H    6.823687   6.683326   6.567698   7.455330   7.268309
    42  C    4.544388   3.950238   4.915313   5.200524   6.067684
    43  H    4.697549   4.226488   5.194146   5.138560   6.209185
    44  H    5.230143   4.423715   5.709469   5.920259   6.961388
    45  H    3.526396   2.895454   3.927415   4.276788   5.173527
    46  C    5.300096   4.943180   5.034703   6.194849   6.067511
    47  H    6.107132   5.890339   5.660758   6.973145   6.520075
    48  H    4.407975   4.167434   4.012902   5.350023   5.054195
    49  H    5.755406   5.193075   5.599702   6.717336   6.764840
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787747   0.000000
    33  H    1.798826   1.793702   0.000000
    34  C    2.814492   2.734110   3.420369   0.000000
    35  H    2.854427   3.347983   3.905963   1.103419   0.000000
    36  H    3.844457   3.601236   4.170673   1.097455   1.796402
    37  H    2.946043   2.396408   3.631287   1.099715   1.791016
    38  C    7.877335   6.523943   7.299728   5.823705   6.806889
    39  O    8.448067   7.046381   7.624835   6.625002   7.656159
    40  N    7.121575   5.990595   6.688182   4.815333   5.733406
    41  H    8.140764   6.716498   7.725307   6.090401   7.034253
    42  C    6.961404   6.047695   6.353356   4.740926   5.627555
    43  H    7.191234   6.177499   6.317918   5.299176   6.256940
    44  H    7.797990   7.020801   7.259455   5.443138   6.211037
    45  H    6.013861   5.278312   5.497921   3.777472   4.628735
    46  C    6.772703   5.780547   6.718686   4.217542   4.985900
    47  H    7.194723   6.065171   7.222610   4.773322   5.522542
    48  H    5.707385   4.816945   5.770722   3.121461   3.901244
    49  H    7.392880   6.595508   7.441456   4.675453   5.278646
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796432   0.000000
    38  C    5.136083   5.599258   0.000000
    39  O    5.972330   6.462090   1.242550   0.000000
    40  N    3.993249   4.761732   1.361063   2.316184   0.000000
    41  H    5.482381   5.686511   1.109022   2.058335   2.056665
    42  C    3.840055   5.000067   2.469109   2.864268   1.465215
    43  H    4.525995   5.540530   2.572744   2.475617   2.102078
    44  H    4.441431   5.797988   3.083209   3.425340   2.122304
    45  H    2.870317   4.188434   3.268104   3.772243   2.100270
    46  C    3.388876   4.064895   2.465594   3.635363   1.463104
    47  H    4.107598   4.378591   2.548496   3.790229   2.104537
    48  H    2.342381   2.990454   3.181447   4.264716   2.108298
    49  H    3.722861   4.681727   3.188714   4.292215   2.114756
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417542   0.000000
    43  H    3.651932   1.097812   0.000000
    44  H    3.989110   1.102775   1.797323   0.000000
    45  H    4.090770   1.100732   1.795811   1.790277   0.000000
    46  C    2.558533   2.492088   3.389016   2.937991   2.613910
    47  H    2.150522   3.419330   4.179287   3.886511   3.639962
    48  H    3.327894   2.746103   3.611601   3.359376   2.415635
    49  H    3.322143   2.787978   3.823579   2.817823   2.915543
                   46         47         48         49
    46  C    0.000000
    47  H    1.098750   0.000000
    48  H    1.102776   1.794123   0.000000
    49  H    1.102308   1.797492   1.790112   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2142219      0.1935297      0.1843503
 Leave Link  202 at Mon Nov 14 02:21:08 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1194011098 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839441304 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9354569793 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4026
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.87D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     210
 GePol: Fraction of low-weight points (<1% of avg)   =       5.22%
 GePol: Cavity surface area                          =    466.997 Ang**2
 GePol: Cavity volume                                =    457.829 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040170410 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9314399383 Hartrees.
 Leave Link  301 at Mon Nov 14 02:21:08 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:21:10 2016, MaxMem=  2952790016 cpu:        14.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:21:10 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000712   -0.000530    0.000022
         Rot=    1.000000    0.000021    0.000068   -0.000011 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 02:21:10 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48626028.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.99D-15 for   2449.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.64D-15 for   2096   1085.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.33D-15 for   1177.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.53D-11 for   1435   1420.
 E= -1013.45126792513    
 DIIS: error= 1.20D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45126792513     IErMin= 1 ErrMin= 1.20D-04
 ErrMax= 1.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-05 BMatP= 1.15D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.20D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.99D-05 MaxDP=7.70D-04              OVMax= 1.25D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.99D-05    CP:  1.00D+00
 E= -1013.45128898476     Delta-E=       -0.000021059625 Rises=F Damp=F
 DIIS: error= 2.26D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128898476     IErMin= 2 ErrMin= 2.26D-05
 ErrMax= 2.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-07 BMatP= 1.15D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.250D-01 0.975D+00
 Coeff:      0.250D-01 0.975D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.18D-06 MaxDP=2.05D-04 DE=-2.11D-05 OVMax= 3.50D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.03D-06    CP:  1.00D+00  9.44D-01
 E= -1013.45128833668     Delta-E=        0.000000648073 Rises=F Damp=F
 DIIS: error= 5.66D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128898476     IErMin= 2 ErrMin= 2.26D-05
 ErrMax= 5.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-06 BMatP= 2.87D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.218D-02 0.669D+00 0.329D+00
 Coeff:      0.218D-02 0.669D+00 0.329D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.10D-06 MaxDP=1.76D-04 DE= 6.48D-07 OVMax= 3.21D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.52D-06    CP:  1.00D+00  9.68D-01  3.41D-01
 E= -1013.45128916018     Delta-E=       -0.000000823492 Rises=F Damp=F
 DIIS: error= 1.15D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45128916018     IErMin= 4 ErrMin= 1.15D-05
 ErrMax= 1.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-07 BMatP= 2.87D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.284D-03 0.292D+00 0.238D+00 0.471D+00
 Coeff:     -0.284D-03 0.292D+00 0.238D+00 0.471D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.07D-07 MaxDP=5.55D-05 DE=-8.23D-07 OVMax= 7.52D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.71D-07    CP:  1.00D+00  9.70D-01  4.06D-01  4.85D-01
 E= -1013.45128923895     Delta-E=       -0.000000078770 Rises=F Damp=F
 DIIS: error= 3.32D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45128923895     IErMin= 5 ErrMin= 3.32D-06
 ErrMax= 3.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.86D-09 BMatP= 1.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.338D-04 0.164D+00 0.146D+00 0.325D+00 0.364D+00
 Coeff:     -0.338D-04 0.164D+00 0.146D+00 0.325D+00 0.364D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.26D-07 MaxDP=1.11D-05 DE=-7.88D-08 OVMax= 1.82D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.39D-07    CP:  1.00D+00  9.71D-01  3.98D-01  5.00D-01  5.37D-01
 E= -1013.45128924604     Delta-E=       -0.000000007090 Rises=F Damp=F
 DIIS: error= 1.42D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45128924604     IErMin= 6 ErrMin= 1.42D-07
 ErrMax= 1.42D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-11 BMatP= 8.86D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-04 0.415D-01 0.381D-01 0.883D-01 0.116D+00 0.716D+00
 Coeff:     -0.179D-04 0.415D-01 0.381D-01 0.883D-01 0.116D+00 0.716D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.38D-08 MaxDP=8.76D-07 DE=-7.09D-09 OVMax= 1.33D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.23D-08    CP:  1.00D+00  9.71D-01  3.98D-01  5.03D-01  5.32D-01
                    CP:  9.61D-01
 E= -1013.45128924608     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 9.06D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45128924608     IErMin= 7 ErrMin= 9.06D-08
 ErrMax= 9.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.60D-12 BMatP= 2.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-04 0.118D-01 0.111D-01 0.267D-01 0.389D-01 0.384D+00
 Coeff-Com:  0.528D+00
 Coeff:     -0.120D-04 0.118D-01 0.111D-01 0.267D-01 0.389D-01 0.384D+00
 Coeff:      0.528D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.54D-09 MaxDP=4.49D-07 DE=-4.18D-11 OVMax= 5.71D-07

 Error on total polarization charges =  0.04309
 SCF Done:  E(RB97D) =  -1013.45128925     A.U. after    7 cycles
            NFock=  7  Conv=0.85D-08     -V/T= 2.0213
 KE= 9.923500863069D+02 PE=-6.027383042345D+03 EE= 2.173650226854D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:22:39 2016, MaxMem=  2952790016 cpu:      1008.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 02:22:47 2016, MaxMem=  2952790016 cpu:        96.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:22:48 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:23:24 2016, MaxMem=  2952790016 cpu:       439.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23445709D+00-2.68766795D+00 3.28611822D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000102010    0.000068528   -0.000093323
      2        6           0.000054018    0.000015384   -0.000019137
      3        8           0.000038907    0.000016300   -0.000004072
      4        7           0.000020025    0.000027515   -0.000005753
      5        1          -0.000001337    0.000019859    0.000052092
      6        6           0.000046370   -0.000031534    0.000048171
      7        1           0.000015689    0.000017483    0.000033318
      8        1           0.000002763    0.000012058    0.000028925
      9        1           0.000014542    0.000028425    0.000035389
     10        6           0.000027843    0.000003115    0.000039289
     11        1           0.000019292    0.000026609    0.000033609
     12        1           0.000024745    0.000021718    0.000001478
     13        1           0.000028518    0.000031995    0.000027057
     14        6          -0.000016853    0.000002049   -0.000017977
     15        8          -0.000015112   -0.000025777   -0.000028183
     16        7          -0.000014603    0.000002427   -0.000035075
     17        1          -0.000000502    0.000006454   -0.000028531
     18        6          -0.000011377   -0.000002777   -0.000034734
     19        1           0.000005249   -0.000001205   -0.000025534
     20        1           0.000001819   -0.000001986   -0.000052738
     21        1          -0.000007746   -0.000001070   -0.000038792
     22        6           0.000003211    0.000021367   -0.000033263
     23        1           0.000020895    0.000010941   -0.000042859
     24        1           0.000020695    0.000002613   -0.000010688
     25        1           0.000016218    0.000011687   -0.000026088
     26        6          -0.000016273    0.000051395    0.000043562
     27        8           0.000003054    0.000017022    0.000046122
     28        7          -0.000019990    0.000008723    0.000010452
     29        1          -0.000004325    0.000001952    0.000032719
     30        6           0.000017511   -0.000033999    0.000012069
     31        1           0.000012428    0.000005532    0.000004155
     32        1          -0.000033098   -0.000024653   -0.000017676
     33        1          -0.000006681    0.000015778    0.000018927
     34        6          -0.000036463   -0.000033683    0.000019960
     35        1          -0.000025086   -0.000017792    0.000017340
     36        1          -0.000021992   -0.000014771    0.000006177
     37        1          -0.000006031   -0.000022640   -0.000002604
     38        6          -0.000144683   -0.000014458    0.000045261
     39        8          -0.000066810    0.000019507   -0.000098854
     40        7           0.000048883    0.000109933    0.000119359
     41        1          -0.000008632   -0.000029327   -0.000024190
     42        6           0.000031072    0.000005064   -0.000023076
     43        1          -0.000043191   -0.000086446    0.000004678
     44        1          -0.000111320   -0.000037574    0.000044459
     45        1           0.000105356   -0.000106219   -0.000024715
     46        6          -0.000012991   -0.000035383   -0.000007784
     47        1          -0.000012805   -0.000015720   -0.000023993
     48        1          -0.000010039   -0.000010331   -0.000009678
     49        1          -0.000033173   -0.000034087    0.000004747
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000144683 RMS     0.000037809
 Leave Link  716 at Mon Nov 14 02:23:24 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000101257 RMS     0.000009862
 Search for a local minimum.
 Step number  48 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .98620D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   34   35   36   37   38
                                                     39   40   41   42   43
                                                     44   45   46   47   48
 DE= -1.76D-07 DEPred=-7.56D-08 R= 2.32D+00
 Trust test= 2.32D+00 RLast= 3.57D-02 DXMaxT set to 6.67D-01
 ITU=  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00003   0.00038   0.00068   0.00121   0.00147
     Eigenvalues ---    0.00177   0.00346   0.00369   0.00426   0.00468
     Eigenvalues ---    0.00596   0.00621   0.00694   0.00741   0.00809
     Eigenvalues ---    0.00840   0.00898   0.01015   0.01037   0.01108
     Eigenvalues ---    0.01149   0.01235   0.01246   0.01351   0.01401
     Eigenvalues ---    0.01444   0.01555   0.01644   0.01682   0.01722
     Eigenvalues ---    0.01796   0.01820   0.01867   0.01919   0.01954
     Eigenvalues ---    0.02016   0.02127   0.02227   0.02293   0.02420
     Eigenvalues ---    0.02542   0.02717   0.02856   0.03085   0.03295
     Eigenvalues ---    0.03766   0.04024   0.04295   0.04515   0.04743
     Eigenvalues ---    0.04842   0.05486   0.05859   0.06045   0.06291
     Eigenvalues ---    0.06381   0.06574   0.06897   0.06944   0.07091
     Eigenvalues ---    0.07322   0.07422   0.07954   0.07966   0.08116
     Eigenvalues ---    0.08163   0.08303   0.08446   0.08602   0.08670
     Eigenvalues ---    0.08777   0.08892   0.09041   0.09283   0.09449
     Eigenvalues ---    0.09557   0.09750   0.09921   0.10188   0.10209
     Eigenvalues ---    0.10439   0.10520   0.10617   0.10845   0.11204
     Eigenvalues ---    0.11262   0.11434   0.11641   0.12193   0.13182
     Eigenvalues ---    0.13516   0.14121   0.15072   0.15234   0.15469
     Eigenvalues ---    0.15594   0.16115   0.21771   0.23164   0.23383
     Eigenvalues ---    0.24001   0.24824   0.25037   0.25911   0.26840
     Eigenvalues ---    0.27085   0.27981   0.28703   0.29269   0.29750
     Eigenvalues ---    0.29890   0.31253   0.32726   0.32820   0.32825
     Eigenvalues ---    0.32885   0.33310   0.33349   0.33375   0.33385
     Eigenvalues ---    0.33417   0.33430   0.33499   0.33528   0.33691
     Eigenvalues ---    0.33794   0.33828   0.33851   0.33918   0.33931
     Eigenvalues ---    0.34004   0.34073   0.34131   0.37360   0.39483
     Eigenvalues ---    0.40922   0.42551   0.85975   0.86045   0.86248
     Eigenvalues ---    0.88758
 Eigenvalue     1 is   3.23D-05 Eigenvector:
                         D381      D383      D375      D373      D399
   1                   -0.19401  -0.18775  -0.18569  -0.18376  -0.17558
                         D389      D371      D397      D369      D395
   1                   -0.17416  -0.17361  -0.17317  -0.17308  -0.16783
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    48   47   46   45   44
 RFO step:  Lambda=-2.96603434D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.09D-06 SmlDif=  1.00D-05
 RMS Error=  0.8502533600D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.43796    0.13460    0.45758   -1.69641    0.66627
 Iteration  1 RMS(Cart)=  0.00514282 RMS(Int)=  0.00047225
 Iteration  2 RMS(Cart)=  0.00054001 RMS(Int)=  0.00003541
 Iteration  3 RMS(Cart)=  0.00000174 RMS(Int)=  0.00003528
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003528
 ITry= 1 IFail=0 DXMaxC= 5.34D-02 DCOld= 1.00D+10 DXMaxT= 6.67D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59288  -0.00002  -0.00027   0.00010  -0.00018   6.59270
    R2        6.26374  -0.00001  -0.00126   0.00053  -0.00072   6.26302
    R3        7.26043  -0.00002   0.00248   0.00017   0.00265   7.26308
    R4        6.35882   0.00000   0.00533  -0.00060   0.00473   6.36355
    R5        6.52741   0.00000  -0.00015  -0.00050  -0.00066   6.52675
    R6        5.97756   0.00000   0.00319  -0.00182   0.00136   5.97892
    R7        6.69872   0.00000  -0.00113  -0.00001  -0.00114   6.69758
    R8        6.22876   0.00000   0.00077   0.00021   0.00097   6.22973
    R9        6.65580   0.00001  -0.00005   0.00039   0.00033   6.65613
   R10        6.07589   0.00000  -0.00093  -0.00064  -0.00158   6.07431
   R11        6.96097   0.00000   0.00154  -0.00001   0.00152   6.96249
   R12        6.03176   0.00000   0.00138  -0.00022   0.00116   6.03292
   R13        6.87233   0.00001  -0.00139  -0.00077  -0.00216   6.87017
   R14        6.19437  -0.00001   0.00228  -0.00015   0.00215   6.19652
   R15        6.87356   0.00000   0.00420  -0.00013   0.00409   6.87765
   R16        5.96476   0.00000   0.00025  -0.00037  -0.00013   5.96463
   R17        6.68397   0.00000   0.00176   0.00066   0.00242   6.68640
   R18        6.66957   0.00010   0.00082   0.00003   0.00089   6.67046
   R19        6.20958   0.00004  -0.00170   0.00101  -0.00060   6.20898
   R20        6.62431  -0.00004  -0.00985  -0.00035  -0.01011   6.61420
   R21        6.04465  -0.00007   0.01374   0.00266   0.01620   6.06085
   R22        6.93076   0.00002   0.00515   0.00118   0.00639   6.93716
   R23        5.96609  -0.00001   0.00195   0.00077   0.00274   5.96883
   R24        2.34987   0.00000  -0.00002   0.00001  -0.00001   2.34986
   R25        2.57147  -0.00001   0.00013  -0.00007   0.00006   2.57153
   R26        2.09461   0.00002   0.00000   0.00003   0.00003   2.09464
   R27        2.76533   0.00000   0.00009  -0.00010  -0.00002   2.76531
   R28        2.76824   0.00000   0.00005  -0.00002   0.00004   2.76828
   R29        2.07654   0.00000  -0.00002   0.00001  -0.00001   2.07653
   R30        2.08258  -0.00001   0.00010  -0.00004   0.00006   2.08264
   R31        2.08299   0.00000   0.00004  -0.00001   0.00003   2.08303
   R32        2.08115   0.00000  -0.00002  -0.00003  -0.00005   2.08110
   R33        2.07466   0.00000   0.00002  -0.00001   0.00001   2.07468
   R34        2.08353   0.00000   0.00002  -0.00001   0.00000   2.08353
   R35        2.34883   0.00000   0.00002   0.00000   0.00002   2.34885
   R36        2.57157   0.00000  -0.00004  -0.00001  -0.00004   2.57152
   R37        2.09408   0.00000   0.00002   0.00000   0.00002   2.09410
   R38        2.76861   0.00000   0.00002  -0.00001   0.00001   2.76862
   R39        2.76503   0.00000  -0.00009  -0.00001  -0.00008   2.76495
   R40        2.08175  -0.00001   0.00001  -0.00001   0.00001   2.08176
   R41        2.08401   0.00000   0.00000   0.00000   0.00000   2.08401
   R42        2.07437   0.00000  -0.00004   0.00000  -0.00004   2.07432
   R43        2.08322   0.00000  -0.00001   0.00000  -0.00001   2.08321
   R44        2.08360  -0.00001  -0.00008   0.00000  -0.00005   2.08355
   R45        2.07669   0.00000  -0.00003   0.00000  -0.00003   2.07665
   R46        2.34853   0.00002   0.00006  -0.00003   0.00003   2.34855
   R47        2.57163   0.00003  -0.00001   0.00004   0.00000   2.57164
   R48        2.09353   0.00000  -0.00003   0.00000  -0.00003   2.09349
   R49        2.76484   0.00002  -0.00013   0.00003  -0.00014   2.76470
   R50        2.76878   0.00001  -0.00012   0.00000  -0.00013   2.76865
   R51        2.08435   0.00000  -0.00001   0.00000  -0.00001   2.08434
   R52        2.08217   0.00002   0.00014   0.00003   0.00013   2.08230
   R53        2.07606   0.00000   0.00003  -0.00002   0.00001   2.07607
   R54        2.08516   0.00000   0.00003   0.00001   0.00004   2.08520
   R55        2.07389   0.00000  -0.00010  -0.00001  -0.00011   2.07378
   R56        2.07816   0.00000   0.00003   0.00000   0.00003   2.07819
   R57        2.34808   0.00010  -0.00005   0.00007   0.00002   2.34810
   R58        2.57204   0.00010  -0.00014   0.00009  -0.00011   2.57192
   R59        2.09575   0.00001   0.00004   0.00001   0.00005   2.09580
   R60        2.76886  -0.00005   0.00038   0.00007   0.00039   2.76924
   R61        2.76487  -0.00001   0.00015   0.00002   0.00017   2.76504
   R62        2.07456  -0.00001   0.00023   0.00004   0.00027   2.07483
   R63        2.08394   0.00001  -0.00006   0.00001  -0.00005   2.08389
   R64        2.08008   0.00008  -0.00011  -0.00007  -0.00034   2.07974
   R65        2.07634  -0.00001  -0.00013  -0.00001  -0.00014   2.07619
   R66        2.08395   0.00000   0.00015   0.00003   0.00018   2.08413
   R67        2.08306   0.00000  -0.00005   0.00001  -0.00004   2.08302
    A1        0.67991   0.00000  -0.00014  -0.00003  -0.00018   0.67974
    A2        0.95663   0.00000  -0.00010  -0.00009  -0.00019   0.95644
    A3        0.72734   0.00000   0.00001   0.00004   0.00005   0.72739
    A4        1.01929   0.00000   0.00004   0.00002   0.00006   1.01935
    A5        2.34000   0.00000   0.00125   0.00011   0.00135   2.34134
    A6        2.01980   0.00000   0.00209   0.00025   0.00233   2.02213
    A7        1.97426   0.00000   0.00306   0.00043   0.00348   1.97774
    A8        1.68036   0.00000   0.00325   0.00056   0.00381   1.68417
    A9        1.65053   0.00000   0.00167   0.00017   0.00183   1.65236
   A10        1.36882   0.00000   0.00195   0.00020   0.00213   1.37095
   A11        1.73545  -0.00001  -0.00127  -0.00030  -0.00156   1.73389
   A12        2.03991   0.00000  -0.00099  -0.00029  -0.00128   2.03864
   A13        1.94357  -0.00001  -0.00036  -0.00033  -0.00069   1.94288
   A14        2.02959   0.00000  -0.00117  -0.00039  -0.00156   2.02803
   A15        2.43515   0.00000  -0.00124  -0.00027  -0.00151   2.43364
   A16        1.55033   0.00000   0.00586   0.00128   0.00713   1.55746
   A17        1.76164   0.00000   0.00340   0.00090   0.00428   1.76592
   A18        1.55735   0.00000  -0.00034   0.00036  -0.00001   1.55735
   A19        1.69907   0.00000   0.00070   0.00043   0.00117   1.70024
   A20        2.17135   0.00000   0.00296   0.00082   0.00378   2.17513
   A21        2.39304   0.00000   0.00198   0.00056   0.00255   2.39559
   A22        0.64216   0.00000  -0.00015  -0.00003  -0.00018   0.64198
   A23        0.65921   0.00000   0.00001   0.00001   0.00002   0.65923
   A24        2.39198   0.00000   0.00028  -0.00004   0.00024   2.39222
   A25        2.21703   0.00000   0.00191   0.00020   0.00211   2.21914
   A26        2.31560   0.00000   0.00314   0.00040   0.00354   2.31914
   A27        2.05057   0.00000   0.00344   0.00057   0.00401   2.05458
   A28        1.80985   0.00000   0.00196   0.00019   0.00214   1.81199
   A29        1.56835   0.00000   0.00248   0.00024   0.00270   1.57105
   A30        1.34229  -0.00001  -0.00124  -0.00027  -0.00150   1.34078
   A31        1.64114   0.00000  -0.00106  -0.00027  -0.00133   1.63981
   A32        1.58963  -0.00001  -0.00068  -0.00031  -0.00100   1.58862
   A33        1.74020   0.00000  -0.00165  -0.00038  -0.00203   1.73817
   A34        2.03854   0.00000  -0.00123  -0.00025  -0.00148   2.03706
   A35        1.80467   0.00001   0.00752   0.00148   0.00899   1.81366
   A36        1.88662   0.00000   0.00491   0.00105   0.00595   1.89257
   A37        1.55177   0.00001   0.00201   0.00066   0.00264   1.55441
   A38        1.57414   0.00000   0.00268   0.00070   0.00340   1.57754
   A39        2.25694   0.00000   0.00280   0.00071   0.00352   2.26045
   A40        2.35355   0.00000   0.00136   0.00030   0.00168   2.35523
   A41        0.68841   0.00000  -0.00009  -0.00005  -0.00015   0.68826
   A42        0.74571   0.00000  -0.00007  -0.00007  -0.00014   0.74557
   A43        2.65769   0.00000  -0.00079  -0.00016  -0.00095   2.65674
   A44        2.59538   0.00000   0.00157   0.00017   0.00173   2.59712
   A45        2.65279   0.00000   0.00289   0.00040   0.00328   2.65607
   A46        2.34799   0.00000   0.00294   0.00049   0.00342   2.35141
   A47        2.18795   0.00000   0.00176   0.00017   0.00192   2.18987
   A48        1.95318   0.00000   0.00225   0.00023   0.00246   1.95564
   A49        1.09936  -0.00001  -0.00141  -0.00027  -0.00168   1.09769
   A50        1.45918  -0.00001  -0.00129  -0.00024  -0.00153   1.45764
   A51        1.55828  -0.00001  -0.00117  -0.00028  -0.00146   1.55682
   A52        1.79278   0.00000  -0.00206  -0.00033  -0.00240   1.79037
   A53        1.78663   0.00000  -0.00133  -0.00018  -0.00151   1.78511
   A54        1.65875   0.00001   0.00862   0.00155   0.01016   1.66892
   A55        1.61344   0.00000   0.00571   0.00108   0.00677   1.62021
   A56        1.22405   0.00001   0.00334   0.00079   0.00409   1.22814
   A57        1.19922   0.00000   0.00334   0.00077   0.00412   1.20333
   A58        1.92759   0.00000   0.00269   0.00061   0.00331   1.93090
   A59        1.97721   0.00000   0.00144   0.00026   0.00172   1.97893
   A60        0.83863   0.00000   0.00000  -0.00002  -0.00001   0.83862
   A61        0.77436   0.00000  -0.00001  -0.00001  -0.00002   0.77433
   A62        2.59963   0.00000  -0.00148  -0.00010  -0.00158   2.59805
   A63        2.76148   0.00000   0.00093   0.00016   0.00110   2.76258
   A64        2.60774   0.00000   0.00267   0.00033   0.00300   2.61074
   A65        2.38575   0.00000   0.00185   0.00024   0.00208   2.38783
   A66        2.19089   0.00000   0.00247   0.00027   0.00273   2.19361
   A67        0.85638  -0.00001  -0.00151  -0.00016  -0.00168   0.85471
   A68        1.23242  -0.00001  -0.00139  -0.00011  -0.00150   1.23091
   A69        1.41025  -0.00001  -0.00134  -0.00011  -0.00147   1.40879
   A70        1.68065   0.00000  -0.00207  -0.00014  -0.00223   1.67842
   A71        1.52323   0.00000  -0.00139  -0.00008  -0.00148   1.52175
   A72        1.67615   0.00001   0.00856   0.00134   0.00989   1.68605
   A73        1.52626   0.00000   0.00580   0.00092   0.00671   1.53297
   A74        1.10265   0.00001   0.00447   0.00080   0.00524   1.10789
   A75        1.00100   0.00000   0.00414   0.00081   0.00496   1.00596
   A76        1.76578   0.00000   0.00215   0.00040   0.00255   1.76834
   A77        1.75614   0.00000   0.00105   0.00013   0.00118   1.75732
   A78        1.99473   0.00000  -0.00022  -0.00007  -0.00029   1.99444
   A79        1.93580   0.00000   0.00132   0.00019   0.00150   1.93730
   A80        2.21265   0.00000   0.00241   0.00038   0.00278   2.21543
   A81        2.06894   0.00000   0.00320   0.00067   0.00387   2.07281
   A82        1.54717   0.00000   0.00184   0.00026   0.00209   1.54926
   A83        1.37959   0.00000   0.00255   0.00035   0.00289   1.38248
   A84        1.20072   0.00000  -0.00054  -0.00031  -0.00084   1.19988
   A85        1.38570   0.00000  -0.00052  -0.00034  -0.00086   1.38484
   A86        1.21719  -0.00001  -0.00031  -0.00037  -0.00068   1.21651
   A87        1.32195   0.00000  -0.00148  -0.00041  -0.00190   1.32005
   A88        1.81245   0.00000  -0.00066  -0.00038  -0.00104   1.81141
   A89        2.23676   0.00000   0.00731   0.00147   0.00879   2.24554
   A90        2.29538   0.00000   0.00542   0.00105   0.00646   2.30183
   A91        1.91121   0.00001   0.00343   0.00075   0.00416   1.91537
   A92        1.83869  -0.00001   0.00429   0.00079   0.00509   1.84378
   A93        2.60348   0.00000   0.00224   0.00043   0.00269   2.60617
   A94        2.55017   0.00000   0.00033  -0.00016   0.00020   2.55037
   A95        1.91323   0.00000  -0.00081  -0.00009  -0.00091   1.91232
   A96        1.99001   0.00001   0.00076   0.00017   0.00093   1.99093
   A97        2.36470   0.00000   0.00160   0.00029   0.00189   2.36660
   A98        2.31691   0.00000   0.00288   0.00066   0.00354   2.32045
   A99        1.66004   0.00000   0.00172   0.00030   0.00201   1.66206
   A100       1.56544   0.00000   0.00252   0.00040   0.00291   1.56835
   A101       0.89378   0.00000  -0.00042  -0.00030  -0.00073   0.89306
   A102       1.06362   0.00000  -0.00061  -0.00034  -0.00094   1.06267
   A103       0.93236  -0.00001  -0.00061  -0.00033  -0.00095   0.93141
   A104       1.09226   0.00000  -0.00182  -0.00035  -0.00218   1.09008
   A105       1.49025   0.00000  -0.00074  -0.00037  -0.00112   1.48913
   A106       2.40398   0.00000   0.00851   0.00149   0.00999   2.41397
   A107       2.29834   0.00000   0.00577   0.00087   0.00663   2.30498
   A108       1.86989   0.00000   0.00485   0.00079   0.00561   1.87550
   A109       1.70388  -0.00001   0.00511   0.00078   0.00590   1.70978
   A110       2.44859  -0.00001   0.00090  -0.00001   0.00093   2.44952
   A111       2.28976   0.00000  -0.00034  -0.00037  -0.00070   2.28907
   A112       0.71375   0.00000   0.00010  -0.00002   0.00008   0.71383
   A113       1.00521   0.00000   0.00011   0.00000   0.00011   1.00532
   A114       0.69538   0.00000  -0.00008  -0.00001  -0.00008   0.69530
   A115       0.98295   0.00000  -0.00016  -0.00002  -0.00017   0.98279
   A116       1.80622   0.00001  -0.00020   0.00000  -0.00019   1.80603
   A117       1.42491   0.00001  -0.00032  -0.00006  -0.00037   1.42453
   A118       1.19222   0.00001  -0.00020  -0.00001  -0.00020   1.19202
   A119       0.91903   0.00000   0.00062   0.00004   0.00067   0.91970
   A120       1.24991   0.00000  -0.00030  -0.00015  -0.00045   1.24946
   A121       1.96328  -0.00001  -0.00771  -0.00136  -0.00905   1.95423
   A122       1.99262   0.00000  -0.00518  -0.00098  -0.00615   1.98647
   A123       2.33554  -0.00001  -0.00205  -0.00059  -0.00260   2.33294
   A124       2.24368   0.00000  -0.00206  -0.00055  -0.00263   2.24105
   A125       1.63418   0.00000  -0.00314  -0.00068  -0.00381   1.63037
   A126       1.50209   0.00000  -0.00252  -0.00046  -0.00298   1.49911
   A127       0.65587   0.00000   0.00004   0.00003   0.00008   0.65594
   A128       0.66078   0.00000  -0.00018   0.00001  -0.00017   0.66061
   A129       2.16927   0.00001   0.00041   0.00006   0.00047   2.16974
   A130       1.79658   0.00001   0.00018  -0.00002   0.00016   1.79674
   A131       1.50350   0.00001   0.00069   0.00004   0.00075   1.50424
   A132       1.21139   0.00000   0.00123   0.00006   0.00131   1.21269
   A133       1.64316   0.00000  -0.00032  -0.00016  -0.00047   1.64269
   A134       1.80925  -0.00001  -0.00838  -0.00133  -0.00969   1.79956
   A135       1.99436   0.00000  -0.00661  -0.00107  -0.00765   1.98671
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   A138       1.74337   0.00000  -0.00372  -0.00066  -0.00437   1.73900
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   A145       1.61653   0.00000   0.00100   0.00003   0.00105   1.61758
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   A222       0.71721   0.00000   0.00035   0.00004   0.00036   0.71757
   A223       1.01006   0.00002  -0.00015  -0.00009  -0.00021   1.00985
   A224       0.69833   0.00001  -0.00026  -0.00006  -0.00032   0.69800
   A225       0.98599   0.00000  -0.00054  -0.00012  -0.00067   0.98532
   A226       0.65913   0.00001  -0.00080  -0.00023  -0.00101   0.65812
   A227       0.66556   0.00000   0.00005  -0.00007  -0.00003   0.66553
   A228       0.70826  -0.00001   0.00027  -0.00005   0.00021   0.70847
   A229       0.84359   0.00000   0.00157   0.00004   0.00159   0.84519
   A230       0.76963   0.00000  -0.00263  -0.00051  -0.00316   0.76647
   A231       0.77963   0.00000  -0.00137  -0.00043  -0.00186   0.77778
   A232       1.58555   0.00000  -0.00041  -0.00061  -0.00103   1.58453
   A233       1.86722  -0.00003   0.00083   0.00028   0.00111   1.86833
   A234       2.19006   0.00000  -0.00004  -0.00002  -0.00007   2.18999
   A235       2.12927   0.00001   0.00000  -0.00001  -0.00002   2.12925
   A236       1.96351  -0.00001   0.00005   0.00002   0.00008   1.96359
   A237       2.12420   0.00001  -0.00001   0.00001   0.00000   2.12420
   A238       2.12635   0.00000  -0.00019   0.00014  -0.00005   2.12630
   A239       2.03199  -0.00001   0.00029  -0.00018   0.00011   2.03211
   A240       1.82878   0.00000   0.00022   0.00026   0.00049   1.82927
   A241       2.54512   0.00001  -0.00020  -0.00025  -0.00045   2.54468
   A242       1.91391   0.00000  -0.00016   0.00003  -0.00013   1.91378
   A243       1.91557   0.00001   0.00028  -0.00008   0.00022   1.91578
   A244       1.91653   0.00000  -0.00009  -0.00004  -0.00014   1.91639
   A245       1.91039  -0.00001   0.00008  -0.00011  -0.00003   1.91036
   A246       1.90869   0.00000   0.00004  -0.00002   0.00002   1.90871
   A247       1.89864   0.00000  -0.00015   0.00022   0.00007   1.89870
   A248       1.28178   0.00000  -0.00123   0.00036  -0.00087   1.28091
   A249       1.90482  -0.00001   0.00028  -0.00012   0.00016   1.90497
   A250       1.90954   0.00000  -0.00004   0.00003  -0.00002   1.90952
   A251       1.92767   0.00000  -0.00003  -0.00005  -0.00008   1.92760
   A252       1.91085   0.00001  -0.00022   0.00014  -0.00007   1.91078
   A253       1.89794   0.00000   0.00013  -0.00007   0.00007   1.89801
   A254       1.91289   0.00000  -0.00013   0.00007  -0.00006   1.91283
   A255       1.72082   0.00001  -0.00128   0.00006  -0.00122   1.71960
   A256       1.76735  -0.00001   0.00087  -0.00013   0.00074   1.76809
   A257       2.19086   0.00000  -0.00012  -0.00001  -0.00012   2.19073
   A258       2.12993   0.00000   0.00007   0.00002   0.00009   2.13002
   A259       1.96219   0.00000   0.00006  -0.00002   0.00004   1.96223
   A260       2.12464   0.00000   0.00015   0.00003   0.00018   2.12482
   A261       2.12338   0.00000  -0.00008  -0.00005  -0.00012   2.12327
   A262       2.03489   0.00000  -0.00009   0.00002  -0.00008   2.03480
   A263       1.34817   0.00000   0.00043   0.00065   0.00108   1.34926
   A264       1.90019  -0.00001   0.00015   0.00008   0.00023   1.90043
   A265       1.93152   0.00000  -0.00017  -0.00003  -0.00020   1.93132
   A266       1.91002   0.00000   0.00004   0.00000   0.00003   1.91005
   A267       1.89752   0.00000  -0.00014  -0.00005  -0.00019   1.89732
   A268       1.91306   0.00000   0.00008  -0.00002   0.00006   1.91312
   A269       1.91140   0.00000   0.00004   0.00003   0.00007   1.91147
   A270       2.66558   0.00000  -0.00036  -0.00008  -0.00044   2.66514
   A271       1.69786   0.00000   0.00035   0.00010   0.00046   1.69832
   A272       1.92466   0.00000  -0.00006  -0.00004  -0.00010   1.92456
   A273       1.91313   0.00000  -0.00017   0.00004  -0.00012   1.91301
   A274       1.91350   0.00000   0.00001  -0.00001   0.00000   1.91350
   A275       1.89434   0.00000  -0.00001   0.00005   0.00004   1.89437
   A276       1.91100   0.00000   0.00005  -0.00003   0.00002   1.91101
   A277       1.90701   0.00000   0.00018  -0.00001   0.00017   1.90719
   A278       1.80344   0.00002  -0.00324  -0.00013  -0.00337   1.80007
   A279       1.75455  -0.00001   0.00231  -0.00004   0.00228   1.75682
   A280       2.18943   0.00001   0.00004   0.00011   0.00015   2.18958
   A281       2.13074   0.00000  -0.00012  -0.00003  -0.00015   2.13059
   A282       1.96294  -0.00001   0.00008  -0.00008   0.00000   1.96294
   A283       2.12263   0.00001   0.00020   0.00002   0.00020   2.12283
   A284       2.11559   0.00000   0.00018   0.00011   0.00029   2.11588
   A285       2.04220  -0.00001  -0.00032  -0.00013  -0.00043   2.04177
   A286       2.69820   0.00001  -0.00447  -0.00018  -0.00465   2.69355
   A287       1.66146  -0.00001   0.00413   0.00025   0.00437   1.66583
   A288       1.92623   0.00001  -0.00026  -0.00002  -0.00028   1.92595
   A289       1.91538   0.00000   0.00009   0.00003   0.00010   1.91548
   A290       1.91229   0.00000   0.00026  -0.00003   0.00024   1.91254
   A291       1.89115   0.00001  -0.00039   0.00005  -0.00033   1.89081
   A292       1.91257   0.00000   0.00026  -0.00006   0.00021   1.91278
   A293       1.90599   0.00000   0.00003   0.00003   0.00007   1.90606
   A294       1.35145   0.00000   0.00319   0.00120   0.00439   1.35584
   A295       1.15281   0.00001  -0.00243  -0.00067  -0.00310   1.14971
   A296       1.93250   0.00001  -0.00043  -0.00007  -0.00050   1.93200
   A297       1.90689  -0.00001   0.00014   0.00002   0.00016   1.90705
   A298       1.90184   0.00001   0.00037   0.00009   0.00047   1.90231
   A299       1.90968   0.00000   0.00012  -0.00001   0.00010   1.90978
   A300       1.89836   0.00000  -0.00045  -0.00010  -0.00056   1.89781
   A301       1.91450   0.00000   0.00026   0.00008   0.00032   1.91483
   A302       1.71223   0.00001  -0.00113  -0.00030  -0.00142   1.71082
   A303       1.77131   0.00000   0.00232  -0.00023   0.00206   1.77338
   A304       2.19189   0.00000  -0.00062   0.00014  -0.00047   2.19142
   A305       2.13033  -0.00001   0.00009  -0.00015  -0.00004   2.13030
   A306       1.96069   0.00001   0.00053   0.00000   0.00050   1.96119
   A307       2.12445   0.00000  -0.00078  -0.00001  -0.00087   2.12359
   A308       2.12205  -0.00001   0.00043   0.00000   0.00049   2.12254
   A309       2.03589   0.00000   0.00035  -0.00002   0.00036   2.03625
   A310       1.34623  -0.00004  -0.01569  -0.00221  -0.01798   1.32825
   A311       3.00979   0.00001   0.01586   0.00258   0.01846   3.02825
   A312       1.90876  -0.00001   0.00005   0.00012   0.00030   1.90906
   A313       1.93172  -0.00003  -0.00015   0.00003   0.00049   1.93221
   A314       1.90323   0.00002  -0.00104  -0.00015  -0.00109   1.90214
   A315       1.91150   0.00003   0.00040  -0.00033  -0.00023   1.91127
   A316       1.91175  -0.00003  -0.00015  -0.00009  -0.00042   1.91133
   A317       1.89674   0.00002   0.00087   0.00043   0.00094   1.89769
   A318       1.72431   0.00001   0.00658   0.00061   0.00718   1.73150
   A319       1.91374   0.00000   0.00002   0.00003   0.00006   1.91381
   A320       1.91474   0.00000  -0.00004   0.00011   0.00005   1.91479
   A321       1.92423   0.00001  -0.00024  -0.00008  -0.00033   1.92390
   A322       1.90527   0.00000   0.00024   0.00003   0.00026   1.90553
   A323       1.91116   0.00000  -0.00011  -0.00011  -0.00021   1.91095
   A324       1.89449   0.00000   0.00014   0.00002   0.00017   1.89466
   A325       2.93089   0.00000   0.00296   0.00034   0.00330   2.93418
   A326       3.34960   0.00000   0.00237   0.00060   0.00300   3.35259
   A327       3.06789   0.00001   0.00265   0.00063   0.00330   3.07118
   A328       3.19467   0.00000  -0.00136   0.00043  -0.00093   3.19374
   A329       3.25957   0.00000   0.00047   0.00068   0.00116   3.26073
   A330       3.26113   0.00000   0.00331   0.00119   0.00449   3.26562
   A331       3.63547   0.00000   0.00648   0.00050   0.00697   3.64244
   A332       3.21114   0.00000   0.00053   0.00015   0.00068   3.21182
   A333       3.00793   0.00001  -0.00659  -0.00092  -0.00749   3.00044
   A334       2.94394   0.00001  -0.00737  -0.00101  -0.00836   2.93558
   A335       3.22843   0.00000  -0.00127   0.00061  -0.00066   3.22776
   A336       3.07963   0.00000  -0.00039  -0.00025  -0.00064   3.07899
   A337       3.10334   0.00000  -0.00152  -0.00023  -0.00175   3.10158
   A338       3.03771  -0.00001   0.00072  -0.00003   0.00068   3.03839
    D1        2.75835   0.00000  -0.00004   0.00019   0.00015   2.75851
    D2       -1.36131   0.00000  -0.00003   0.00002  -0.00001  -1.36132
    D3        2.78054   0.00000   0.00013   0.00033   0.00047   2.78101
    D4       -1.33912   0.00000   0.00014   0.00016   0.00030  -1.33882
    D5        1.66318   0.00000   0.00004   0.00029   0.00033   1.66351
    D6       -2.45649   0.00000   0.00005   0.00012   0.00017  -2.45632
    D7        1.84477   0.00000   0.00014   0.00033   0.00048   1.84525
    D8       -2.27489   0.00000   0.00015   0.00016   0.00031  -2.27458
    D9        0.32086   0.00000   0.00218   0.00053   0.00270   0.32356
   D10        2.48438   0.00000   0.00219   0.00035   0.00254   2.48692
   D11        0.03772   0.00000   0.00027   0.00025   0.00052   0.03824
   D12        2.20124   0.00000   0.00028   0.00007   0.00036   2.20160
   D13       -0.43060   0.00000  -0.00040   0.00018  -0.00021  -0.43081
   D14        1.73292   0.00000  -0.00039   0.00001  -0.00037   1.73255
   D15       -0.55034   0.00000  -0.00097  -0.00006  -0.00103  -0.55136
   D16        1.61318   0.00000  -0.00096  -0.00023  -0.00119   1.61199
   D17        0.21813   0.00000  -0.00085   0.00008  -0.00078   0.21735
   D18        2.38165   0.00000  -0.00084  -0.00009  -0.00094   2.38071
   D19        0.15414   0.00000  -0.00164  -0.00001  -0.00165   0.15249
   D20        2.31766   0.00000  -0.00163  -0.00019  -0.00182   2.31584
   D21        2.40371   0.00001   0.00125   0.00025   0.00151   2.40522
   D22       -1.71595   0.00001   0.00126   0.00008   0.00134  -1.71461
   D23        2.15867   0.00000   0.00152   0.00018   0.00171   2.16038
   D24       -1.96100   0.00000   0.00153   0.00001   0.00154  -1.95945
   D25        1.71700   0.00000   0.00184   0.00024   0.00209   1.71909
   D26       -2.40267   0.00000   0.00185   0.00007   0.00193  -2.40074
   D27        1.40975   0.00000   0.00211   0.00027   0.00240   1.41216
   D28       -2.70991   0.00000   0.00212   0.00009   0.00224  -2.70767
   D29        2.36760   0.00000   0.00164  -0.00007   0.00157   2.36917
   D30       -1.75207   0.00000   0.00165  -0.00025   0.00140  -1.75066
   D31       -1.78822   0.00001   0.00649   0.00108   0.00756  -1.78066
   D32        0.37530   0.00001   0.00650   0.00090   0.00739   0.38269
   D33       -2.12476   0.00000   0.00490   0.00080   0.00569  -2.11908
   D34        0.03876   0.00000   0.00491   0.00062   0.00552   0.04428
   D35       -2.50551   0.00000   0.00617   0.00104   0.00720  -2.49830
   D36       -0.34199   0.00000   0.00618   0.00087   0.00704  -0.33495
   D37       -2.78980  -0.00001   0.00574   0.00100   0.00671  -2.78309
   D38       -0.62628  -0.00001   0.00575   0.00082   0.00655  -0.61974
   D39       -2.12875  -0.00001   0.00071   0.00015   0.00087  -2.12788
   D40        0.03477  -0.00001   0.00072  -0.00002   0.00070   0.03547
   D41       -2.37390   0.00000  -0.00055  -0.00027  -0.00080  -2.37470
   D42       -0.21038   0.00000  -0.00054  -0.00044  -0.00096  -0.21134
   D43        1.26336   0.00000  -0.00063  -0.00009  -0.00072   1.26264
   D44       -1.92350   0.00000   0.00197  -0.00036   0.00161  -1.92190
   D45        2.45884   0.00000  -0.00041   0.00005  -0.00036   2.45848
   D46       -0.72802   0.00000   0.00219  -0.00022   0.00197  -0.72605
   D47        2.94521   0.00000  -0.00027   0.00009  -0.00019   2.94503
   D48       -0.24165   0.00000   0.00233  -0.00018   0.00215  -0.23951
   D49        2.85883   0.00000   0.00308   0.00029   0.00338   2.86221
   D50       -0.32803   0.00000   0.00568   0.00003   0.00571  -0.32233
   D51        2.05100   0.00000   0.00168   0.00019   0.00186   2.05286
   D52       -1.13586   0.00000   0.00428  -0.00008   0.00419  -1.13167
   D53        1.17050   0.00000  -0.00170  -0.00016  -0.00187   1.16862
   D54       -2.01637   0.00000   0.00090  -0.00043   0.00046  -2.01591
   D55        1.02932   0.00000  -0.00255  -0.00055  -0.00309   1.02623
   D56       -2.15754   0.00000   0.00005  -0.00081  -0.00076  -2.15831
   D57        2.02697   0.00000  -0.00069  -0.00014  -0.00085   2.02612
   D58       -1.15989   0.00000   0.00191  -0.00041   0.00148  -1.15841
   D59        1.83441   0.00000  -0.00151  -0.00023  -0.00175   1.83266
   D60       -1.35246   0.00000   0.00109  -0.00050   0.00058  -1.35188
   D61       -2.27290   0.00001   0.00044  -0.00010   0.00034  -2.27256
   D62        0.82342   0.00001   0.00304  -0.00037   0.00267   0.82610
   D63       -2.40943   0.00000   0.00034  -0.00020   0.00014  -2.40929
   D64        0.68689   0.00000   0.00294  -0.00047   0.00247   0.68936
   D65       -2.81202   0.00000   0.00065  -0.00023   0.00042  -2.81159
   D66        0.28431   0.00000   0.00325  -0.00050   0.00276   0.28706
   D67       -2.99013   0.00000   0.00013  -0.00029  -0.00015  -2.99029
   D68        0.10619   0.00000   0.00273  -0.00056   0.00218   0.10837
   D69       -2.13414   0.00000   0.00014  -0.00033  -0.00020  -2.13433
   D70        0.96218   0.00000   0.00274  -0.00060   0.00213   0.96432
   D71       -0.16522   0.00001   0.00086  -0.00020   0.00066  -0.16456
   D72        2.93110   0.00001   0.00346  -0.00046   0.00299   2.93409
   D73       -0.55930   0.00000   0.00107  -0.00019   0.00089  -0.55841
   D74        2.53702   0.00000   0.00367  -0.00045   0.00322   2.54024
   D75       -0.74550   0.00000   0.00493   0.00042   0.00538  -0.74012
   D76        2.35082   0.00000   0.00753   0.00015   0.00771   2.35853
   D77       -1.08330  -0.00001   0.00444   0.00045   0.00488  -1.07843
   D78        2.01302  -0.00001   0.00704   0.00019   0.00721   2.02022
   D79       -0.82895   0.00000  -0.00219  -0.00069  -0.00286  -0.83181
   D80        2.26737   0.00000   0.00041  -0.00095  -0.00053   2.26684
   D81       -1.13513   0.00000  -0.00223  -0.00073  -0.00295  -1.13808
   D82        1.96119   0.00000   0.00037  -0.00099  -0.00062   1.96057
   D83       -1.53426   0.00000  -0.00062   0.00020  -0.00042  -1.53467
   D84       -2.60969   0.00000  -0.00042   0.00025  -0.00017  -2.60986
   D85       -2.94878   0.00000  -0.00044   0.00035  -0.00008  -2.94886
   D86        0.73200   0.00000   0.00154   0.00042   0.00196   0.73396
   D87        0.30952   0.00000   0.00114   0.00037   0.00151   0.31102
   D88       -0.06611   0.00000   0.00180   0.00052   0.00232  -0.06379
   D89       -0.40112   0.00000   0.00073   0.00029   0.00101  -0.40011
   D90        0.18344   0.00000  -0.00018   0.00015  -0.00004   0.18340
   D91       -0.05344   0.00000  -0.00051   0.00010  -0.00042  -0.05386
   D92        2.40237   0.00001   0.00117   0.00032   0.00149   2.40386
   D93        2.05346   0.00000   0.00098   0.00020   0.00119   2.05464
   D94        1.66076   0.00000   0.00118   0.00016   0.00136   1.66212
   D95        1.37327   0.00000   0.00106   0.00010   0.00119   1.37446
   D96        2.05510   0.00000   0.00091   0.00009   0.00100   2.05611
   D97       -1.93232   0.00001   0.00549   0.00073   0.00615  -1.92617
   D98       -2.44464  -0.00001   0.00236   0.00008   0.00243  -2.44221
   D99       -2.67230   0.00000   0.00480   0.00059   0.00539  -2.66691
   D100      -2.99598  -0.00001   0.00327   0.00043   0.00366  -2.99233
   D101      -2.87928  -0.00001  -0.00461  -0.00126  -0.00578  -2.88507
   D102       2.86951   0.00000  -0.00422  -0.00104  -0.00525   2.86426
   D103      -2.89513   0.00000  -0.00497  -0.00070  -0.00566  -2.90079
   D104       1.20208   0.00000  -0.00487  -0.00070  -0.00557   1.19651
   D105       2.81804   0.00000  -0.00566  -0.00071  -0.00637   2.81167
   D106       0.63206   0.00000  -0.00557  -0.00071  -0.00628   0.62578
   D107       2.32298   0.00000  -0.00663  -0.00079  -0.00743   2.31555
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   D324      -0.58524   0.00000  -0.00399  -0.00064  -0.00462  -0.58986
   D325       1.48256   0.00000  -0.00449  -0.00097  -0.00546   1.47710
   D326       0.04158   0.00001   0.00619   0.00118   0.00738   0.04896
   D327       2.22626   0.00000   0.00665   0.00084   0.00750   2.23376
   D328       0.35233   0.00000   0.00510   0.00104   0.00616   0.35848
   D329       2.53701   0.00000   0.00557   0.00070   0.00628   2.54329
   D330       0.71352   0.00001   0.00583   0.00114   0.00695   0.72048
   D331       2.89821   0.00000   0.00629   0.00080   0.00707   2.90528
   D332       0.99146   0.00001   0.00615   0.00114   0.00726   0.99872
   D333      -3.10704   0.00000   0.00661   0.00080   0.00738  -3.09966
   D334       0.30231   0.00000   0.00229   0.00085   0.00320   0.30551
   D335       2.48699   0.00000   0.00275   0.00051   0.00331   2.49031
   D336       0.68208   0.00000   0.00436   0.00138   0.00575   0.68783
   D337       2.86677   0.00000   0.00483   0.00103   0.00587   2.87264
   D338      -2.36899   0.00001   0.00463   0.00088   0.00548  -2.36350
   D339      -0.18430   0.00000   0.00509   0.00054   0.00560  -0.17870
   D340      -1.98685   0.00001   0.00342   0.00072   0.00410  -1.98275
   D341       0.19783   0.00000   0.00389   0.00038   0.00422   0.20205
   D342      -1.94465   0.00001   0.00353   0.00088   0.00438  -1.94027
   D343       0.24003   0.00000   0.00399   0.00054   0.00450   0.24453
   D344      -1.65204   0.00000   0.00439   0.00095   0.00530  -1.64674
   D345       0.53264   0.00000   0.00486   0.00061   0.00542   0.53806
   D346      -1.60765   0.00001   0.00191   0.00042   0.00227  -1.60538
   D347       0.57704   0.00000   0.00237   0.00008   0.00239   0.57943
   D348      -1.30534   0.00000   0.00129   0.00039   0.00163  -1.30371
   D349       0.87934   0.00000   0.00175   0.00005   0.00175   0.88110
   D350       1.79022   0.00000   0.00854   0.00162   0.01011   1.80034
   D351      -2.30828   0.00000   0.00900   0.00128   0.01023  -2.29805
   D352       2.21170   0.00000   0.01112   0.00208   0.01318   2.22488
   D353      -1.88680   0.00000   0.01159   0.00173   0.01330  -1.87351
   D354       2.42003   0.00001   0.01900   0.00339   0.02245   2.44247
   D355      -1.67847   0.00001   0.01946   0.00305   0.02256  -1.65591
   D356       3.06470   0.00003   0.01605   0.00306   0.01928   3.08398
   D357      -1.03380   0.00002   0.01652   0.00272   0.01940  -1.01440
   D358       2.55164   0.00001   0.00773   0.00155   0.00928   2.56092
   D359      -1.54687   0.00000   0.00820   0.00120   0.00940  -1.53747
   D360       1.61539   0.00001  -0.00105   0.00025  -0.00081   1.61458
   D361      -2.48312   0.00000  -0.00059  -0.00009  -0.00069  -2.48380
   D362       1.77706   0.00001   0.00328   0.00088   0.00423   1.78129
   D363      -2.32145   0.00000   0.00375   0.00054   0.00435  -2.31709
   D364       2.74025  -0.00001  -0.00068   0.00018  -0.00050   2.73975
   D365      -1.35825  -0.00001  -0.00021  -0.00016  -0.00039  -1.35864
   D366       2.71508   0.00000   0.00181   0.00042   0.00221   2.71729
   D367      -1.38342  -0.00001   0.00227   0.00008   0.00233  -1.38109
   D368       0.03853   0.00001   0.00164   0.00039   0.00205   0.04059
   D369      -2.61883   0.00000   0.03283   0.00470   0.03753  -2.58130
   D370       0.43806   0.00001   0.00169   0.00037   0.00210   0.44016
   D371      -2.21930   0.00000   0.03288   0.00468   0.03757  -2.18172
   D372       0.64432   0.00001   0.00329   0.00052   0.00387   0.64819
   D373      -2.01304   0.00000   0.03448   0.00483   0.03934  -1.97370
   D374       0.91610   0.00001   0.00350   0.00038   0.00393   0.92003
   D375      -1.74126   0.00000   0.03469   0.00468   0.03940  -1.70185
   D376       0.68660   0.00001  -0.00027   0.00028   0.00005   0.68665
   D377      -1.97076   0.00000   0.03092   0.00459   0.03553  -1.93523
   D378       1.02396   0.00001   0.00046   0.00037   0.00087   1.02483
   D379      -1.63340   0.00000   0.03165   0.00468   0.03634  -1.59706
   D380      -2.78923   0.00002   0.00455   0.00068   0.00528  -2.78394
   D381       0.83660   0.00001   0.03574   0.00499   0.04076   0.87736
   D382      -2.22832   0.00001   0.00340   0.00032   0.00379  -2.22453
   D383       1.39750   0.00000   0.03459   0.00463   0.03927   1.43677
   D384      -1.97984   0.00001  -0.00022  -0.00007  -0.00026  -1.98010
   D385       1.64599   0.00000   0.03097   0.00424   0.03522   1.68121
   D386      -1.64500   0.00001  -0.00148  -0.00032  -0.00178  -1.64677
   D387       1.98083   0.00000   0.02971   0.00399   0.03370   2.01453
   D388      -1.69731   0.00000   0.00092  -0.00046   0.00049  -1.69683
   D389       1.92851   0.00000   0.03211   0.00385   0.03596   1.96447
   D390      -1.09500   0.00000  -0.00694  -0.00132  -0.00831  -1.10331
   D391       2.53083  -0.00001   0.02425   0.00299   0.02716   2.55799
   D392       1.77976   0.00000   0.00020  -0.00002   0.00021   1.77996
   D393      -0.87760  -0.00001   0.03139   0.00429   0.03568  -0.84192
   D394       2.07836   0.00001   0.00070   0.00012   0.00083   2.07919
   D395      -0.57900   0.00000   0.03189   0.00443   0.03630  -0.54269
   D396       2.02046   0.00001   0.00191   0.00034   0.00224   2.02270
   D397      -0.63690   0.00000   0.03310   0.00465   0.03771  -0.59919
   D398       2.21539   0.00001   0.00194   0.00054   0.00244   2.21783
   D399      -0.44197   0.00000   0.03313   0.00484   0.03791  -0.40406
   D400       2.48094   0.00001   0.00006   0.00001   0.00008   2.48102
   D401      -0.17642   0.00000   0.03125   0.00432   0.03555  -0.14087
   D402      -1.51654   0.00001  -0.00766  -0.00115  -0.00880  -1.52534
   D403       2.10928   0.00000   0.02353   0.00316   0.02667   2.13596
   D404      -2.61762   0.00000  -0.00678  -0.00106  -0.00785  -2.62547
   D405       1.00820  -0.00001   0.02441   0.00325   0.02762   1.03583
   D406      -2.98322   0.00000  -0.00481  -0.00088  -0.00569  -2.98892
   D407       0.64260  -0.00001   0.02638   0.00343   0.02978   0.67238
   D408       1.88853   0.00000   0.00719   0.00133   0.00852   1.89705
   D409       2.37847   0.00000   0.00841   0.00162   0.01000   2.38848
   D410       2.61037   0.00000   0.00806   0.00148   0.00953   2.61991
   D411       2.84462   0.00000   0.00787   0.00130   0.00917   2.85379
   D412       2.79195   0.00001   0.01102   0.00252   0.01346   2.80541
   D413      -2.99395   0.00000   0.01104   0.00226   0.01326  -2.98069
   D414      -0.77579   0.00000   0.00556   0.00102   0.00658  -0.76921
   D415      -0.39440   0.00000   0.00564   0.00098   0.00662  -0.38778
   D416      -0.08618   0.00000   0.00560   0.00105   0.00664  -0.07955
   D417       0.22296   0.00000   0.00564   0.00103   0.00666   0.22961
   D418      -0.25655   0.00000   0.00563   0.00082   0.00644  -0.25011
   D419       0.05905   0.00000   0.00455   0.00057   0.00510   0.06416
   D420      -2.58631  -0.00001   0.00600   0.00107   0.00708  -2.57923
   D421      -2.20331  -0.00001   0.00608   0.00112   0.00721  -2.19610
   D422      -1.96297   0.00000   0.00681   0.00127   0.00809  -1.95488
   D423      -1.64750   0.00000   0.00596   0.00122   0.00718  -1.64032
   D424      -1.98467   0.00000   0.00507   0.00099   0.00608  -1.97859
   D425       1.34242  -0.00002  -0.00300  -0.00032  -0.00329   1.33913
   D426       2.48958  -0.00001  -0.00242  -0.00017  -0.00259   2.48699
   D427       2.95401   0.00001   0.00025   0.00021   0.00058   2.95460
   D428      -3.07152   0.00001  -0.00117   0.00089  -0.00028  -3.07179
   D429       0.03010   0.00000   0.00155   0.00009   0.00164   0.03174
   D430       0.04186  -0.00002  -0.00125   0.00060  -0.00065   0.04121
   D431      -3.13971  -0.00003   0.00147  -0.00020   0.00126  -3.13845
   D432      -0.08034  -0.00001   0.00138  -0.00059   0.00079  -0.07955
   D433       2.01884  -0.00001   0.00156  -0.00075   0.00080   2.01964
   D434      -2.17801   0.00000   0.00149  -0.00056   0.00093  -2.17708
   D435       3.09918   0.00000  -0.00118   0.00016  -0.00102   3.09815
   D436      -1.08483   0.00000  -0.00101   0.00000  -0.00101  -1.08584
   D437       1.00150   0.00001  -0.00108   0.00019  -0.00088   1.00062
   D438      -2.36949   0.00000  -0.00224   0.00095  -0.00129  -2.37078
   D439      -0.27903   0.00001  -0.00235   0.00107  -0.00129  -0.28032
   D440       1.82805   0.00001  -0.00256   0.00114  -0.00142   1.82663
   D441       0.73412   0.00000   0.00033   0.00019   0.00053   0.73465
   D442       2.82459   0.00000   0.00022   0.00031   0.00053   2.82512
   D443      -1.35152   0.00000   0.00001   0.00039   0.00040  -1.35112
   D444      -0.00118   0.00001  -0.00026   0.00010  -0.00016  -0.00134
   D445       3.11452   0.00001  -0.00116   0.00000  -0.00117   3.11335
   D446      -3.12118   0.00001  -0.00042   0.00007  -0.00035  -3.12152
   D447      -0.00548   0.00001  -0.00132  -0.00003  -0.00135  -0.00683
   D448       2.42790   0.00000  -0.00155  -0.00078  -0.00233   2.42557
   D449      -1.77072   0.00000  -0.00173  -0.00082  -0.00255  -1.77327
   D450       0.33726   0.00000  -0.00176  -0.00080  -0.00257   0.33469
   D451      -0.68904   0.00000  -0.00070  -0.00068  -0.00138  -0.69042
   D452       1.39552   0.00000  -0.00088  -0.00072  -0.00159   1.39393
   D453      -2.77969   0.00000  -0.00091  -0.00070  -0.00161  -2.78130
   D454       2.06012   0.00000   0.00104   0.00023   0.00128   2.06140
   D455      -2.13851   0.00000   0.00089   0.00029   0.00118  -2.13733
   D456      -0.04525   0.00000   0.00101   0.00030   0.00132  -0.04393
   D457      -1.10610   0.00000   0.00019   0.00013   0.00033  -1.10577
   D458       0.97846   0.00000   0.00004   0.00019   0.00023   0.97869
   D459       3.07171   0.00000   0.00016   0.00020   0.00037   3.07208
   D460      -3.08748   0.00001  -0.00320  -0.00024  -0.00343  -3.09092
   D461      -0.02812   0.00001  -0.00228  -0.00026  -0.00254  -0.03066
   D462       0.06735   0.00000  -0.00315  -0.00026  -0.00341   0.06394
   D463       3.12671   0.00000  -0.00223  -0.00028  -0.00251   3.12420
   D464       1.93751  -0.00001   0.00606   0.00053   0.00658   1.94409
   D465      -2.26268   0.00000   0.00547   0.00059   0.00606  -2.25663
   D466      -0.17004  -0.00001   0.00572   0.00063   0.00635  -0.16369
   D467      -1.12515  -0.00001   0.00515   0.00054   0.00569  -1.11946
   D468       0.95784   0.00000   0.00456   0.00061   0.00516   0.96301
   D469       3.05048  -0.00001   0.00482   0.00064   0.00546   3.05594
   D470      -1.64394   0.00000  -0.00572  -0.00140  -0.00711  -1.65105
   D471       0.46050   0.00000  -0.00576  -0.00144  -0.00720   0.45330
   D472       2.55202   0.00000  -0.00514  -0.00129  -0.00642   2.54559
   D473       1.41906   0.00000  -0.00481  -0.00141  -0.00623   1.41284
   D474      -2.75969   0.00000  -0.00485  -0.00146  -0.00631  -2.76600
   D475      -0.66817   0.00000  -0.00423  -0.00130  -0.00554  -0.67371
   D476       0.00122  -0.00002  -0.00124  -0.00065  -0.00189  -0.00067
   D477      -3.09606   0.00000  -0.00189   0.00030  -0.00158  -3.09765
   D478       3.11796  -0.00003  -0.00106  -0.00094  -0.00199   3.11597
   D479       0.02068  -0.00001  -0.00172   0.00000  -0.00169   0.01899
   D480      -0.32792  -0.00003  -0.01676  -0.00169  -0.01854  -0.34646
   D481       1.77950  -0.00001  -0.01631  -0.00201  -0.01833   1.76117
   D482      -2.41805   0.00001  -0.01598  -0.00156  -0.01755  -2.43560
   D483       2.77144  -0.00004  -0.01613  -0.00259  -0.01883   2.75262
   D484      -1.40432  -0.00003  -0.01568  -0.00291  -0.01861  -1.42294
   D485       0.68131  -0.00001  -0.01535  -0.00246  -0.01784   0.66347
   D486       0.00422   0.00000  -0.00399  -0.00108  -0.00510  -0.00088
   D487       2.09646   0.00000  -0.00371  -0.00096  -0.00471   2.09176
   D488      -2.10124   0.00000  -0.00372  -0.00092  -0.00467  -2.10591
   D489      -3.09521   0.00002  -0.00460  -0.00018  -0.00477  -3.09998
   D490      -1.00296   0.00002  -0.00432  -0.00006  -0.00439  -1.00735
   D491       1.08252   0.00002  -0.00433  -0.00002  -0.00434   1.07818
         Item               Value     Threshold  Converged?
 Maximum Force            0.000101     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.053396     0.001800     NO 
 RMS     Displacement     0.005682     0.001200     NO 
 Predicted change in Energy=-3.496746D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:23:25 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.834662   -0.607870    1.682050
      2          6           0       -2.100060    1.101061   -1.347834
      3          8           0       -2.648183    0.116973   -1.874529
      4          7           0       -0.806244    1.154520   -0.929572
      5          1           0       -2.651142    2.040870   -1.143642
      6          6           0       -0.268454    2.328351   -0.240907
      7          1           0       -1.029266    3.120700   -0.212100
      8          1           0        0.018802    2.057684    0.788080
      9          1           0        0.623538    2.697400   -0.773069
     10          6           0        0.108859    0.023719   -1.102303
     11          1           0        0.681806   -0.122471   -0.173238
     12          1           0       -0.469389   -0.883207   -1.322383
     13          1           0        0.814274    0.221556   -1.926249
     14          6           0       -1.983694   -4.025153    2.610146
     15          8           0       -2.105861   -3.877409    3.838232
     16          7           0       -2.927472   -3.718100    1.679149
     17          1           0       -1.051616   -4.414777    2.154720
     18          6           0       -4.229969   -3.163085    2.055921
     19          1           0       -4.500596   -2.370830    1.339915
     20          1           0       -5.007968   -3.944254    2.029864
     21          1           0       -4.168276   -2.740484    3.067116
     22          6           0       -2.680179   -3.894668    0.247901
     23          1           0       -3.388371   -4.626236   -0.174621
     24          1           0       -2.817674   -2.932571   -0.272786
     25          1           0       -1.651349   -4.247850    0.091727
     26          6           0        1.535111    0.379691    2.623589
     27          8           0        1.348876    1.394715    3.316118
     28          7           0        1.170360   -0.886282    2.964448
     29          1           0        2.020218    0.427174    1.628751
     30          6           0        1.487029   -2.031925    2.111430
     31          1           0        2.236280   -2.677848    2.599263
     32          1           0        0.577137   -2.628113    1.935771
     33          1           0        1.878031   -1.676773    1.148142
     34          6           0        0.531490   -1.172245    4.251543
     35          1           0        1.281953   -1.480502    4.999451
     36          1           0        0.011613   -0.272939    4.605465
     37          1           0       -0.191304   -1.990329    4.118450
     38          6           0       -4.604050    1.212515    2.897189
     39          8           0       -4.857876    1.852923    1.863068
     40          7           0       -3.508976    1.385601    3.686608
     41          1           0       -5.263172    0.398736    3.262304
     42          6           0       -2.485289    2.386399    3.373681
     43          1           0       -2.557001    2.661680    2.313220
     44          1           0       -2.616246    3.286328    3.997406
     45          1           0       -1.491978    1.957812    3.575824
     46          6           0       -3.268055    0.544205    4.859193
     47          1           0       -4.080388   -0.188419    4.961485
     48          1           0       -2.310479    0.009546    4.742923
     49          1           0       -3.215367    1.164313    5.768989
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.488707   0.000000
     3  O    3.719740   1.243493   0.000000
     4  N    3.314247   1.360794   2.315640   0.000000
     5  H    3.958156   1.108435   2.058054   2.057933   0.000000
     6  C    3.843457   2.467044   3.636210   1.463337   2.564132
     7  H    4.258955   2.552536   3.795648   2.104844   2.159696
     8  H    3.367445   3.157029   4.238946   2.108729   3.295517
     9  H    4.795327   3.208838   4.309986   2.109324   3.360340
    10  C    3.453810   2.469873   2.864666   1.464910   3.418803
    11  H    3.163908   3.258141   3.747072   2.101676   4.090265
    12  H    3.311555   2.568473   2.460157   2.102405   3.652701
    13  H    4.552431   3.098618   3.464423   2.118930   3.991426
    14  C    3.544206   6.477439   6.140933   6.383182   7.164708
    15  O    3.925883   7.188913   6.991769   7.052750   7.755155
    16  N    3.296631   5.750787   5.235877   5.920090   6.419520
    17  H    3.915242   6.617521   6.270616   6.371039   7.423817
    18  C    3.522272   5.857047   5.358103   6.267119   6.309600
    19  H    3.214388   5.004058   4.466906   5.588104   5.389957
    20  H    4.617609   6.732011   6.107899   7.239492   7.172690
    21  H    3.451406   6.206993   5.907249   6.515200   6.549315
    22  C    3.684389   5.276382   4.538611   5.512928   6.096543
    23  H    4.691323   5.986493   5.092700   6.376086   6.777375
    24  H    3.192482   4.235668   3.448772   4.602340   5.051855
    25  H    3.976455   5.557385   4.889941   5.562631   6.486426
    26  C    3.635538   5.432038   6.148336   4.325189   5.871648
    27  O    4.100663   5.808084   6.674723   4.767402   6.025539
    28  N    3.279056   5.765496   6.245277   4.820293   6.328388
    29  H    3.991773   5.127462   5.844926   3.881100   5.666725
    30  C    3.639495   5.886366   6.132341   4.965906   6.656396
    31  H    4.658181   6.975928   7.189146   6.032966   7.756451
    32  H    3.156347   5.644128   5.697067   4.942899   6.457861
    33  H    3.900218   5.456323   5.730679   4.420232   6.291784
    34  C    3.538288   6.591357   7.021478   5.835008   7.039977
    35  H    4.634644   7.641368   8.077716   6.815954   8.099808
    36  H    3.473797   6.464426   7.015474   5.774355   6.745088
    37  H    3.247747   6.563559   6.811224   5.979194   7.070430
    38  C    3.529855   4.929768   5.272089   5.391735   4.563808
    39  O    3.902319   4.298923   4.676098   4.970143   3.734341
    40  N    3.285651   5.235610   5.768589   5.354183   4.949401
    41  H    3.907063   5.634884   5.771015   6.165002   5.378817
    42  C    3.500082   4.908483   5.720187   4.780660   4.533553
    43  H    3.407360   4.005951   4.901131   3.981505   3.513426
    44  H    4.597447   5.797709   6.672739   5.665318   5.289873
    45  H    3.207263   5.034500   5.867865   4.627537   4.860444
    46  C    3.670985   6.340464   6.775675   6.320032   6.217284
    47  H    3.996738   6.737356   6.991105   6.872267   6.654701
    48  H    3.158568   6.191366   6.626934   5.979205   6.236504
    49  H    4.663694   7.203963   7.735760   7.118616   6.990792
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098855   0.000000
     8  H    1.102085   1.796888   0.000000
     9  H    1.102291   1.796004   1.792242   0.000000
    10  C    2.489116   3.417468   2.778251   2.742601   0.000000
    11  H    2.629468   3.667075   2.473214   2.883551   1.101273
    12  H    3.394712   4.192549   3.652565   3.783779   1.097871
    13  H    2.907106   3.839529   3.372199   2.737884   1.102559
    14  C    7.171998   7.742042   6.658139   7.964705   5.878301
    15  O    7.650287   8.157069   7.003067   8.481853   6.673281
    16  N    6.878703   7.345012   6.544785   7.731862   5.563901
    17  H    7.198760   7.898465   6.701213   7.871540   5.626291
    18  C    7.150167   7.407724   6.849519   8.118190   6.241437
    19  H    6.518614   6.679505   6.351474   7.510553   5.739806
    20  H    8.183212   8.412494   7.926772   9.147779   7.192858
    21  H    7.200327   7.413509   6.763730   8.202383   6.581699
    22  C    6.691884   7.221669   6.557956   7.443943   4.995552
    23  H    7.622634   8.098259   7.563756   8.371929   5.891799
    24  H    5.846096   6.312225   5.837267   6.617311   4.241739
    25  H    6.728259   7.401002   6.560036   7.359313   4.771828
    26  C    3.905824   4.704284   2.912721   4.211891   4.005395
    27  O    4.017444   4.591612   2.932508   4.352534   4.789543
    28  N    4.762179   5.566391   3.837916   5.206805   4.300390
    29  H    3.513988   4.465776   2.714950   3.587949   3.357786
    30  C    5.256159   6.187089   4.542229   5.606466   4.056242
    31  H    6.277124   7.224314   5.533792   6.547278   5.052324
    32  H    5.479004   6.343716   4.856503   5.975036   4.059728
    33  H    4.751618   5.772207   4.187188   4.939452   3.329586
    34  C    5.751190   6.386661   4.763493   6.342661   5.502055
    35  H    6.661266   7.326189   5.643576   7.156142   6.392983
    36  H    5.507492   5.984074   4.472615   6.174625   5.716300
    37  H    6.136851   6.751182   5.246134   6.823909   5.603816
    38  C    5.467187   5.107635   5.151060   6.557695   6.294497
    39  O    5.071048   4.535619   4.997951   6.140705   6.066949
    40  N    5.178333   4.935530   4.615016   6.219905   6.154440
    41  H    6.398680   6.116088   6.064086   7.498097   6.931750
    42  C    4.240634   3.939166   3.614396   5.192020   5.687381
    43  H    3.445594   2.986957   3.053788   4.431962   5.072617
    44  H    4.938942   4.501764   4.330452   5.796592   6.639115
    45  H    4.025138   3.989332   3.172372   4.892368   5.309263
    46  C    6.179951   6.112979   5.446835   7.176568   6.871237
    47  H    6.923138   6.857521   6.266230   7.958642   7.373216
    48  H    5.863897   5.989411   5.026053   6.801411   6.326142
    49  H    6.793977   6.661825   6.005615   7.738609   7.717907
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795690   0.000000
    13  H    1.791354   1.798040   0.000000
    14  C    5.484801   5.256398   6.814840   0.000000
    15  O    6.161375   6.186698   7.652316   1.242959   0.000000
    16  N    5.420957   4.804996   6.520771   1.360791   2.315613
    17  H    5.181508   4.990112   6.452243   1.108147   2.057768
    18  C    6.191932   5.545516   7.263461   2.469023   2.863341
    19  H    5.848251   5.054848   6.755452   3.268801   3.774404
    20  H    7.199528   6.419211   8.179444   3.080503   3.420071
    21  H    6.393526   6.033153   7.650698   2.575188   2.478059
    22  C    5.070480   4.052441   5.820776   2.466235   3.636016
    23  H    6.070440   4.883449   6.650678   3.176373   4.278851
    24  H    4.489202   3.288767   5.086600   3.193831   4.277835
    25  H    4.746849   3.836347   5.488817   2.549996   3.792111
    26  C    2.966908   4.602567   4.609300   5.637803   5.731922
    27  O    3.862958   5.478203   5.398566   6.401515   6.324801
    28  N    3.266063   4.589739   5.027228   4.463866   4.521500
    29  H    2.310978   4.077307   3.759602   6.067756   6.358913
    30  C    3.084494   4.115603   4.672646   4.033311   4.392780
    31  H    4.078370   5.091236   5.559578   4.429846   4.672064
    32  H    3.276754   3.841285   4.805418   2.994054   3.518320
    33  H    2.364922   3.499088   3.766578   4.750291   5.286850
    34  C    4.550089   5.670445   6.339382   4.142392   3.800573
    35  H    5.381555   6.587074   7.147101   4.780008   4.309394
    36  H    4.827816   5.978559   6.599400   4.694854   4.250241
    37  H    4.761282   5.559291   6.514754   3.102926   2.702799
    38  C    6.256995   6.268355   7.321598   5.863601   5.747507
    39  O    6.223889   6.073905   7.013812   6.585652   6.656693
    40  N    5.893670   6.283038   7.179809   5.723767   5.448944
    41  H    6.886028   6.755968   7.992987   5.545366   5.346562
    42  C    5.376389   6.066893   6.607793   6.476309   6.292461
    43  H    4.942048   5.490169   5.940774   6.717929   6.729701
    44  H    6.315959   7.091839   7.500066   7.468759   7.183659
    45  H    4.807118   5.754086   6.213388   6.080312   5.873289
    46  C    6.432046   6.934113   7.925386   5.252316   4.684413
    47  H    7.003443   7.280730   8.459709   4.964417   4.332332
    48  H    5.756722   6.401138   7.367964   4.575404   3.996092
    49  H    7.221761   7.875296   8.737476   6.198859   5.511604
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056785   0.000000
    18  C    1.465092   3.417371   0.000000
    19  H    2.098793   4.091099   1.101622   0.000000
    20  H    2.121935   3.986189   1.102808   1.791401   0.000000
    21  H    2.102802   3.653669   1.097684   1.797304   1.797230
    22  C    1.463148   2.560994   2.491184   2.613138   2.931970
    23  H    2.115089   3.306202   2.797216   2.935595   2.819210
    24  H    2.106932   3.347937   2.733239   2.397621   3.335130
    25  H    2.104527   2.154875   3.418195   3.633096   3.887857
    26  C    6.131762   5.467899   6.790409   6.755956   7.865169
    27  O    6.863505   6.392293   7.313354   7.231945   8.400506
    28  N    5.144260   4.247719   5.930666   6.082987   6.956750
    29  H    6.454880   5.758237   7.220614   7.101638   8.286475
    30  C    4.745300   3.482036   5.828093   6.046631   6.771162
    31  H    5.347249   3.744970   6.507154   6.860446   7.376119
    32  H    3.679159   2.427538   4.838274   5.119044   5.738856
    33  H    5.248033   4.134332   6.351445   6.419142   7.303142
    34  C    5.006296   4.173356   5.608537   5.935998   6.580690
    35  H    5.809519   4.706167   6.471223   6.900924   7.379134
    36  H    5.391723   4.928633   5.730980   5.951890   6.731156
    37  H    4.052406   3.236406   4.684036   5.141501   5.601809
    38  C    5.348411   6.696079   4.471414   3.908474   5.244775
    39  O    5.898862   7.338715   5.058833   4.270998   5.801518
    40  N    5.515051   6.483030   4.885643   4.538838   5.779198
    41  H    4.991013   6.491060   3.899928   3.456530   4.521682
    42  C    6.350737   7.056719   5.964660   5.552377   6.946000
    43  H    6.421906   7.236542   6.065716   5.481883   7.051659
    44  H    7.384658   8.071591   6.925921   6.528129   7.865931
    45  H    6.154185   6.543955   6.002523   5.726099   7.041773
    46  C    5.328782   6.067807   4.746326   4.733065   5.583785
    47  H    4.955964   5.908763   4.160926   4.249148   4.853977
    48  H    4.864436   5.278084   4.579302   4.695026   5.501788
    49  H    6.375549   6.990780   5.791602   5.810830   6.579660
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390360   0.000000
    23  H    3.830557   1.102385   0.000000
    24  H    3.607765   1.102565   1.789925   0.000000
    25  H    4.178518   1.098917   1.797599   1.795311   0.000000
    26  C    6.516197   6.456214   7.558436   6.189249   6.162629
    27  O    6.899336   7.322896   8.418944   6.997556   7.157974
    28  N    5.652401   5.590766   6.680048   5.529141   5.245447
    29  H    7.099324   6.532901   7.618526   6.189421   6.139927
    30  C    5.779089   4.930332   5.977123   5.002611   4.340385
    31  H    6.421927   5.584006   6.567142   5.818591   4.885315
    32  H    4.879704   3.881130   4.916452   4.061423   3.315146
    33  H    6.432089   5.148473   6.179323   5.064160   4.492547
    34  C    5.094118   5.809952   6.847356   5.897898   5.614998
    35  H    5.918316   6.641077   7.647129   6.834613   6.352026
    36  H    5.091833   6.273039   7.304814   6.235050   6.240128
    37  H    4.181428   4.980176   5.966549   5.202749   4.841759
    38  C    3.980574   6.066574   6.708569   5.515580   6.812096
    39  O    4.798402   6.354991   6.949180   5.623633   7.116101
    40  N    4.224100   6.355536   7.146034   5.899264   6.936117
    41  H    3.330406   5.847375   6.370061   5.438285   6.684953
    42  C    5.404753   7.018566   7.910945   6.457449   7.448485
    43  H    5.687525   6.875057   7.745595   6.168551   7.314153
    44  H    6.292590   8.101208   8.978343   7.546511   8.541030
    45  H    5.430961   6.836550   7.811007   6.362792   7.118608
    46  C    3.848522   6.427534   7.217147   6.215145   6.950270
    47  H    3.179527   6.157494   6.822952   6.043377   6.789237
    48  H    3.717849   5.965298   6.843578   5.837007   6.339834
    49  H    4.843097   7.507471   8.299812   7.310654   7.998060
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242801   0.000000
    28  N    1.360851   2.314840   0.000000
    29  H    1.107830   2.057679   2.057064   0.000000
    30  C    2.465869   3.634862   1.463016   2.562116   0.000000
    31  H    3.137001   4.229318   2.116425   3.260328   1.102985
    32  H    3.230742   4.322509   2.108095   3.392864   1.101908
    33  H    2.554130   3.796599   2.103483   2.162821   1.098608
    34  C    2.462924   2.851741   1.465109   3.413721   2.496435
    35  H    3.028056   3.332411   2.122920   3.942827   2.947336
    36  H    2.583564   2.496349   2.100434   3.658617   3.389852
    37  H    3.291218   3.804526   2.098755   4.115064   2.616613
    38  C    6.201431   5.970430   6.144370   6.790186   6.945866
    39  O    6.604474   6.391016   6.712369   7.028217   7.443893
    40  N    5.252111   4.871968   5.251585   5.977068   6.254657
    41  H    6.828248   6.686857   6.567368   7.464387   7.266212
    42  C    4.555560   3.960754   4.923584   5.213726   6.074057
    43  H    4.695655   4.226924   5.187036   5.139304   6.198776
    44  H    5.250683   4.445734   5.728530   5.939872   6.976932
    45  H    3.544077   2.907745   3.943437   4.297611   5.190080
    46  C    5.300508   4.941710   5.033476   6.198006   6.066092
    47  H    6.109200   5.889860   5.660876   6.978786   6.520541
    48  H    4.406489   4.164775   4.010202   5.350460   5.051082
    49  H    5.751192   5.186711   5.595086   6.715377   6.760636
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787583   0.000000
    33  H    1.798957   1.793804   0.000000
    34  C    2.811259   2.735769   3.420353   0.000000
    35  H    2.846977   3.346627   3.902103   1.103442   0.000000
    36  H    3.841559   3.604709   4.172211   1.097399   1.796440
    37  H    2.945127   2.400283   3.633621   1.099730   1.790690
    38  C    7.874884   6.520694   7.309209   5.821952   6.805651
    39  O    8.449669   7.044454   7.638214   6.625837   7.658075
    40  N    7.120526   5.989294   6.696401   4.815297   5.735076
    41  H    8.133067   6.710493   7.731378   6.084791   7.027651
    42  C    6.967032   6.049080   6.364036   4.747162   5.638099
    43  H    7.181080   6.160129   6.312613   5.291016   6.253885
    44  H    7.814934   7.030551   7.276620   5.463671   6.238807
    45  H    6.028509   5.291665   5.519131   3.787912   4.641488
    46  C    6.766580   5.778884   6.722116   4.213310   4.982136
    47  H    7.188715   6.066266   7.229075   4.768788   5.515942
    48  H    5.700033   4.814112   5.771459   3.116869   3.897643
    49  H    7.384430   6.592354   7.440880   4.669162   5.273814
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796604   0.000000
    38  C    5.140927   5.587666   0.000000
    39  O    5.979294   6.452459   1.242561   0.000000
    40  N    3.998700   4.752929   1.361003   2.315863   0.000000
    41  H    5.484395   5.671373   1.109047   2.058345   2.056973
    42  C    3.850181   4.997279   2.468643   2.862816   1.465420
    43  H    4.523732   5.522369   2.575172   2.480071   2.102577
    44  H    4.465844   5.808451   3.076125   3.411005   2.122811
    45  H    2.880486   4.192137   3.271239   3.778069   2.099519
    46  C    3.389443   4.054498   2.465964   3.635525   1.463197
    47  H    4.108328   4.368358   2.549148   3.791009   2.104605
    48  H    2.343247   2.979995   3.180305   4.263899   2.108488
    49  H    3.719258   4.671295   3.190298   4.292813   2.114589
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417578   0.000000
    43  H    3.653086   1.097953   0.000000
    44  H    3.985571   1.102749   1.797270   0.000000
    45  H    4.092789   1.100552   1.795514   1.790716   0.000000
    46  C    2.559631   2.492618   3.386927   2.947333   2.607637
    47  H    2.151963   3.419817   4.178167   3.891918   3.636789
    48  H    3.325974   2.748602   3.605281   3.374402   2.414086
    49  H    3.326121   2.786397   3.823336   2.828498   2.899946
                   46         47         48         49
    46  C    0.000000
    47  H    1.098675   0.000000
    48  H    1.102874   1.794306   0.000000
    49  H    1.102288   1.797278   1.790284   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2140634      0.1937764      0.1843043
 Leave Link  202 at Mon Nov 14 02:23:25 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1291149679 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839389450 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9451760229 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4018
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.66D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     207
 GePol: Fraction of low-weight points (<1% of avg)   =       5.15%
 GePol: Cavity surface area                          =    467.117 Ang**2
 GePol: Cavity volume                                =    457.813 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040157340 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9411602889 Hartrees.
 Leave Link  301 at Mon Nov 14 02:23:25 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:23:27 2016, MaxMem=  2952790016 cpu:        13.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:23:27 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000006    0.004219   -0.000795
         Rot=    1.000000   -0.000167    0.000059   -0.000302 Ang=  -0.04 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50896951059    
 Leave Link  401 at Mon Nov 14 02:23:33 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48432972.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.02D-14 for   2530.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.52D-15 for   1882    702.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.66D-15 for   1808.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.06D-11 for   1991   1947.
 E= -1013.45103173262    
 DIIS: error= 4.56D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45103173262     IErMin= 1 ErrMin= 4.56D-04
 ErrMax= 4.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-04 BMatP= 1.66D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.56D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.57D-05 MaxDP=2.27D-03              OVMax= 3.56D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.57D-05    CP:  1.00D+00
 E= -1013.45129272117     Delta-E=       -0.000260988546 Rises=F Damp=F
 DIIS: error= 6.78D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45129272117     IErMin= 2 ErrMin= 6.78D-05
 ErrMax= 6.78D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.89D-06 BMatP= 1.66D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-01 0.970D+00
 Coeff:      0.301D-01 0.970D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.70D-05 MaxDP=1.12D-03 DE=-2.61D-04 OVMax= 1.57D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.65D-05    CP:  1.00D+00  9.48D-01
 E= -1013.45127729861     Delta-E=        0.000015422559 Rises=F Damp=F
 DIIS: error= 2.23D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45129272117     IErMin= 2 ErrMin= 6.78D-05
 ErrMax= 2.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-05 BMatP= 3.89D-06
 IDIUse=3 WtCom= 4.01D-01 WtEn= 5.99D-01
 Coeff-Com:  0.276D-02 0.715D+00 0.282D+00
 Coeff-En:   0.000D+00 0.797D+00 0.203D+00
 Coeff:      0.111D-02 0.764D+00 0.235D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.04D-05 MaxDP=7.31D-04 DE= 1.54D-05 OVMax= 1.13D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.56D-06    CP:  1.00D+00  9.68D-01  4.20D-01
 E= -1013.45129570176     Delta-E=       -0.000018403152 Rises=F Damp=F
 DIIS: error= 1.69D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45129570176     IErMin= 4 ErrMin= 1.69D-05
 ErrMax= 1.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.97D-07 BMatP= 3.89D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.249D-04 0.294D+00 0.431D-01 0.663D+00
 Coeff:     -0.249D-04 0.294D+00 0.431D-01 0.663D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.29D-06 MaxDP=1.25D-04 DE=-1.84D-05 OVMax= 1.48D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.31D-06    CP:  1.00D+00  9.75D-01  3.28D-01  7.28D-01
 E= -1013.45129595598     Delta-E=       -0.000000254215 Rises=F Damp=F
 DIIS: error= 2.11D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45129595598     IErMin= 4 ErrMin= 1.69D-05
 ErrMax= 2.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.66D-08 BMatP= 3.97D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.283D-04 0.145D+00 0.632D-02 0.457D+00 0.392D+00
 Coeff:     -0.283D-04 0.145D+00 0.632D-02 0.457D+00 0.392D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.77D-07 MaxDP=4.97D-05 DE=-2.54D-07 OVMax= 6.41D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.85D-07    CP:  1.00D+00  9.76D-01  3.22D-01  7.54D-01  5.90D-01
 E= -1013.45129603157     Delta-E=       -0.000000075594 Rises=F Damp=F
 DIIS: error= 9.06D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45129603157     IErMin= 6 ErrMin= 9.06D-07
 ErrMax= 9.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-10 BMatP= 8.66D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.184D-04 0.451D-01 0.958D-03 0.152D+00 0.149D+00 0.653D+00
 Coeff:     -0.184D-04 0.451D-01 0.958D-03 0.152D+00 0.149D+00 0.653D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.10D-08 MaxDP=3.43D-06 DE=-7.56D-08 OVMax= 5.09D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.07D-08    CP:  1.00D+00  9.76D-01  3.23D-01  7.60D-01  5.83D-01
                    CP:  9.17D-01
 E= -1013.45129603189     Delta-E=       -0.000000000322 Rises=F Damp=F
 DIIS: error= 3.89D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45129603189     IErMin= 7 ErrMin= 3.89D-07
 ErrMax= 3.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-10 BMatP= 4.81D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-04 0.928D-02-0.834D-04 0.347D-01 0.391D-01 0.364D+00
 Coeff-Com:  0.553D+00
 Coeff:     -0.116D-04 0.928D-02-0.834D-04 0.347D-01 0.391D-01 0.364D+00
 Coeff:      0.553D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.30D-08 MaxDP=1.56D-06 DE=-3.22D-10 OVMax= 2.23D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.16D-08    CP:  1.00D+00  9.76D-01  3.23D-01  7.61D-01  5.84D-01
                    CP:  9.20D-01  6.99D-01
 E= -1013.45129603198     Delta-E=       -0.000000000090 Rises=F Damp=F
 DIIS: error= 1.31D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45129603198     IErMin= 8 ErrMin= 1.31D-07
 ErrMax= 1.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-11 BMatP= 1.21D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.650D-05 0.381D-02-0.455D-04 0.148D-01 0.177D-01 0.193D+00
 Coeff-Com:  0.336D+00 0.434D+00
 Coeff:     -0.650D-05 0.381D-02-0.455D-04 0.148D-01 0.177D-01 0.193D+00
 Coeff:      0.336D+00 0.434D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.29D-08 MaxDP=1.06D-06 DE=-9.05D-11 OVMax= 1.62D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.02D-08    CP:  1.00D+00  9.76D-01  3.23D-01  7.60D-01  5.85D-01
                    CP:  9.21D-01  7.14D-01  6.49D-01
 E= -1013.45129603195     Delta-E=        0.000000000031 Rises=F Damp=F
 DIIS: error= 8.93D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45129603198     IErMin= 9 ErrMin= 8.93D-08
 ErrMax= 8.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.62D-12 BMatP= 1.06D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.250D-05 0.728D-03 0.680D-05 0.312D-02 0.436D-02 0.634D-01
 Coeff-Com:  0.132D+00 0.373D+00 0.423D+00
 Coeff:     -0.250D-05 0.728D-03 0.680D-05 0.312D-02 0.436D-02 0.634D-01
 Coeff:      0.132D+00 0.373D+00 0.423D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.70D-09 MaxDP=4.46D-07 DE= 3.14D-11 OVMax= 7.07D-07

 Error on total polarization charges =  0.04310
 SCF Done:  E(RB97D) =  -1013.45129603     A.U. after    9 cycles
            NFock=  9  Conv=0.57D-08     -V/T= 2.0213
 KE= 9.923499466000D+02 PE=-6.027408598484D+03 EE= 2.173666195563D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:25:19 2016, MaxMem=  2952790016 cpu:      1209.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 02:25:28 2016, MaxMem=  2952790016 cpu:        99.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:25:28 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:26:05 2016, MaxMem=  2952790016 cpu:       439.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21885728D+00-2.67837621D+00 3.28352292D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000144165    0.000105084   -0.000100606
      2        6           0.000077608   -0.000013032    0.000030092
      3        8           0.000035238    0.000022270   -0.000061975
      4        7           0.000000621    0.000033500   -0.000027781
      5        1          -0.000006075    0.000023880    0.000058572
      6        6           0.000058502   -0.000046234    0.000038842
      7        1           0.000025582    0.000027998    0.000038449
      8        1          -0.000010303    0.000021609   -0.000003453
      9        1           0.000008405    0.000037437    0.000048434
     10        6           0.000025139   -0.000009095    0.000012365
     11        1           0.000004243    0.000039007    0.000039613
     12        1           0.000022990    0.000030152   -0.000006111
     13        1           0.000031803    0.000029193    0.000028563
     14        6          -0.000042552    0.000002420    0.000000829
     15        8          -0.000009055   -0.000043705   -0.000019791
     16        7          -0.000026267    0.000010857   -0.000040088
     17        1           0.000009585    0.000021298   -0.000028945
     18        6          -0.000010795   -0.000003785   -0.000043227
     19        1           0.000004559   -0.000003021   -0.000039703
     20        1           0.000003058   -0.000004276   -0.000053039
     21        1          -0.000009102   -0.000003369   -0.000044315
     22        6          -0.000003373    0.000021747   -0.000032798
     23        1           0.000030447    0.000008762   -0.000055243
     24        1           0.000036430    0.000003053   -0.000018208
     25        1           0.000020473    0.000017389   -0.000026628
     26        6          -0.000014409    0.000086549    0.000070628
     27        8           0.000033264    0.000010308    0.000050340
     28        7          -0.000013120    0.000025808    0.000015485
     29        1          -0.000024640    0.000003137    0.000022552
     30        6          -0.000002591   -0.000064277    0.000017725
     31        1           0.000037441    0.000023445   -0.000015979
     32        1          -0.000028061   -0.000027029   -0.000012947
     33        1          -0.000025054    0.000021835    0.000015846
     34        6          -0.000038689   -0.000052915    0.000029272
     35        1          -0.000023470   -0.000009166    0.000012608
     36        1          -0.000038094   -0.000015966   -0.000007707
     37        1           0.000004444   -0.000031133    0.000004792
     38        6          -0.000132042   -0.000073067    0.000072798
     39        8          -0.000063633   -0.000004043   -0.000079135
     40        7           0.000005317    0.000112547    0.000083724
     41        1          -0.000022421   -0.000029228   -0.000033641
     42        6          -0.000011660   -0.000047794    0.000020140
     43        1          -0.000048334   -0.000063429    0.000020051
     44        1          -0.000071633   -0.000020839    0.000022816
     45        1           0.000072409   -0.000066967    0.000028146
     46        6           0.000053661   -0.000050096   -0.000030174
     47        1          -0.000009686   -0.000018363   -0.000007004
     48        1          -0.000029010   -0.000003714    0.000008848
     49        1          -0.000031316   -0.000034743   -0.000003035
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000144165 RMS     0.000040579
 Leave Link  716 at Mon Nov 14 02:26:05 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000085878 RMS     0.000010812
 Search for a local minimum.
 Step number  49 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .10812D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48   49
 DE= -6.79D-06 DEPred=-3.50D-06 R= 1.94D+00
 TightC=F SS=  1.41D+00  RLast= 2.06D-01 DXNew= 1.1222D+00 6.1797D-01
 Trust test= 1.94D+00 RLast= 2.06D-01 DXMaxT set to 6.67D-01
 ITU=  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  0
     Eigenvalues ---   -0.00064  -0.00018   0.00001   0.00046   0.00118
     Eigenvalues ---    0.00128   0.00277   0.00357   0.00384   0.00466
     Eigenvalues ---    0.00482   0.00576   0.00614   0.00702   0.00750
     Eigenvalues ---    0.00818   0.00837   0.00914   0.01032   0.01036
     Eigenvalues ---    0.01102   0.01212   0.01227   0.01296   0.01376
     Eigenvalues ---    0.01404   0.01462   0.01604   0.01614   0.01710
     Eigenvalues ---    0.01714   0.01804   0.01863   0.01885   0.01947
     Eigenvalues ---    0.01970   0.02126   0.02127   0.02256   0.02296
     Eigenvalues ---    0.02485   0.02500   0.02747   0.02995   0.03138
     Eigenvalues ---    0.03638   0.03857   0.04360   0.04449   0.04763
     Eigenvalues ---    0.04941   0.05372   0.05857   0.06043   0.06243
     Eigenvalues ---    0.06435   0.06542   0.06883   0.06968   0.07019
     Eigenvalues ---    0.07090   0.07494   0.07913   0.07990   0.08105
     Eigenvalues ---    0.08160   0.08283   0.08425   0.08611   0.08670
     Eigenvalues ---    0.08773   0.08851   0.09014   0.09214   0.09490
     Eigenvalues ---    0.09597   0.09739   0.09881   0.10169   0.10345
     Eigenvalues ---    0.10398   0.10511   0.10604   0.10969   0.11165
     Eigenvalues ---    0.11296   0.11433   0.11757   0.11989   0.13159
     Eigenvalues ---    0.13437   0.13974   0.15088   0.15171   0.15261
     Eigenvalues ---    0.15601   0.16556   0.21685   0.22861   0.23345
     Eigenvalues ---    0.23812   0.24745   0.25036   0.25689   0.26890
     Eigenvalues ---    0.27139   0.27955   0.28379   0.29265   0.29766
     Eigenvalues ---    0.29911   0.30136   0.32718   0.32794   0.32822
     Eigenvalues ---    0.32831   0.33306   0.33347   0.33375   0.33384
     Eigenvalues ---    0.33415   0.33425   0.33469   0.33515   0.33690
     Eigenvalues ---    0.33793   0.33820   0.33858   0.33915   0.33926
     Eigenvalues ---    0.33990   0.34033   0.34134   0.37345   0.39457
     Eigenvalues ---    0.40785   0.41154   0.85937   0.85985   0.86130
     Eigenvalues ---    0.86919
 Eigenvalue     1 is  -6.37D-04 should be greater than     0.000000 Eigenvector:
                          R18      D481       R20      D480      D484
   1                    0.25181  -0.20745  -0.20568  -0.18386  -0.17816
                          R4       D482      D483      A310      D485
   1                   -0.16976  -0.16508  -0.15458  -0.13725  -0.13579
 Eigenvalue     2 is  -1.82D-04 should be greater than     0.000000 Eigenvector:
                          R4        R21       R3       D482      D480
   1                   -0.22407  -0.19310  -0.19119   0.16171   0.15567
                         D481      D485      D381      D483      D484
   1                    0.15183   0.12025  -0.11763   0.11422   0.11037
 Eigenvalue     3 is   7.41D-06 Eigenvector:
                          R4        R3       D377      D379      D397
   1                    0.26023   0.20988  -0.17232  -0.17197  -0.16935
                         D375      D371      D395      D369      D399
   1                   -0.16621  -0.16185  -0.16072  -0.15991  -0.15969
 Use linear search instead of GDIIS.
 RFO step:  Lambda=-6.45797468D-04 EMin=-6.37157775D-04
 I=     1 Eig=   -6.37D-04 Dot1=  4.46D-05
 I=     1 Stepn=  6.00D-01 RXN=   6.00D-01 EDone=F
 I=     2 Eig=   -1.82D-04 Dot1= -1.06D-05
 I=     2 Stepn= -3.00D-01 RXN=   6.71D-01 EDone=F
 Mixed    2 eigenvectors in step.  Raw Step.Grad=  5.52D-05.
 RFO eigenvector is Hessian eigenvector with negative curvature.
 Taking step of  6.00D-01 in eigenvector direction(s).  Step.Grad=  3.40D-06.
 Skip linear search -- no minimum in search direction.
 Iteration  1 RMS(Cart)=  0.01743871 RMS(Int)=  0.00465310
 Iteration  2 RMS(Cart)=  0.00283425 RMS(Int)=  0.00131736
 Iteration  3 RMS(Cart)=  0.00142607 RMS(Int)=  0.00021158
 Iteration  4 RMS(Cart)=  0.00000251 RMS(Int)=  0.00021131
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00021131
 ITry= 1 IFail=0 DXMaxC= 2.58D-01 DCOld= 1.00D+10 DXMaxT= 6.67D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59270   0.00000   0.00000  -0.06760  -0.06769   6.52501
    R2        6.26302   0.00001   0.00000   0.01248   0.01246   6.27548
    R3        7.26308  -0.00001   0.00000  -0.01508  -0.01522   7.24786
    R4        6.36355   0.00000   0.00000  -0.03098  -0.03086   6.33269
    R5        6.52675   0.00002   0.00000  -0.00683  -0.00691   6.51985
    R6        5.97892  -0.00001   0.00000  -0.05100  -0.05102   5.92790
    R7        6.69758   0.00000   0.00000   0.02080   0.02080   6.71838
    R8        6.22973   0.00000   0.00000  -0.00320  -0.00317   6.22656
    R9        6.65613   0.00001   0.00000   0.00182   0.00182   6.65795
   R10        6.07431   0.00000   0.00000  -0.00681  -0.00681   6.06751
   R11        6.96249  -0.00001   0.00000  -0.00525  -0.00525   6.95724
   R12        6.03292   0.00000   0.00000  -0.00327  -0.00326   6.02966
   R13        6.87017   0.00001   0.00000  -0.01609  -0.01609   6.85408
   R14        6.19652  -0.00001   0.00000  -0.01449  -0.01463   6.18189
   R15        6.87765  -0.00001   0.00000  -0.00929  -0.00946   6.86819
   R16        5.96463   0.00000   0.00000   0.00400   0.00404   5.96867
   R17        6.68640   0.00002   0.00000  -0.01844  -0.01851   6.66789
   R18        6.67046   0.00009   0.00000   0.14813   0.14785   6.81831
   R19        6.20898   0.00003   0.00000  -0.00452  -0.00481   6.20417
   R20        6.61420  -0.00003   0.00000  -0.11009  -0.11170   6.50249
   R21        6.06085  -0.00003   0.00000  -0.01290  -0.01165   6.04920
   R22        6.93716   0.00000   0.00000  -0.00505  -0.00508   6.93207
   R23        5.96883   0.00000   0.00000  -0.02059  -0.02070   5.94813
   R24        2.34986   0.00002   0.00000   0.00028   0.00028   2.35015
   R25        2.57153  -0.00002   0.00000  -0.00039  -0.00014   2.57138
   R26        2.09464   0.00002   0.00000   0.00102   0.00102   2.09566
   R27        2.76531   0.00001   0.00000  -0.00732  -0.00715   2.75815
   R28        2.76828   0.00000   0.00000  -0.00188  -0.00193   2.76635
   R29        2.07653   0.00000   0.00000   0.00094   0.00094   2.07748
   R30        2.08264  -0.00003   0.00000   0.00031   0.00046   2.08310
   R31        2.08303   0.00000   0.00000  -0.00015  -0.00015   2.08288
   R32        2.08110   0.00000   0.00000  -0.00026  -0.00009   2.08102
   R33        2.07468   0.00000   0.00000  -0.00045  -0.00045   2.07422
   R34        2.08353   0.00000   0.00000  -0.00065  -0.00065   2.08288
   R35        2.34885   0.00001   0.00000  -0.00045  -0.00045   2.34841
   R36        2.57152   0.00001   0.00000  -0.00035  -0.00042   2.57111
   R37        2.09410   0.00000   0.00000   0.00010   0.00010   2.09420
   R38        2.76862  -0.00001   0.00000  -0.00039  -0.00042   2.76821
   R39        2.76495   0.00001   0.00000  -0.00078  -0.00088   2.76407
   R40        2.08176  -0.00001   0.00000  -0.00066  -0.00065   2.08112
   R41        2.08401   0.00000   0.00000   0.00009   0.00009   2.08409
   R42        2.07432   0.00000   0.00000  -0.00009  -0.00009   2.07423
   R43        2.08321   0.00000   0.00000  -0.00004  -0.00004   2.08317
   R44        2.08355  -0.00002   0.00000  -0.00100  -0.00090   2.08265
   R45        2.07665   0.00000   0.00000   0.00003   0.00003   2.07668
   R46        2.34855   0.00001   0.00000   0.00059   0.00059   2.34914
   R47        2.57164   0.00004   0.00000   0.00250   0.00267   2.57430
   R48        2.09349   0.00000   0.00000  -0.00006  -0.00006   2.09343
   R49        2.76470   0.00004   0.00000   0.00290   0.00319   2.76789
   R50        2.76865   0.00002   0.00000   0.00162   0.00169   2.77034
   R51        2.08434   0.00000   0.00000  -0.00001  -0.00001   2.08433
   R52        2.08230   0.00001   0.00000   0.00272   0.00309   2.08539
   R53        2.07607  -0.00001   0.00000  -0.00027  -0.00027   2.07580
   R54        2.08520   0.00000   0.00000  -0.00006  -0.00006   2.08514
   R55        2.07378   0.00000   0.00000  -0.00014  -0.00014   2.07365
   R56        2.07819   0.00000   0.00000  -0.00032  -0.00032   2.07786
   R57        2.34810   0.00007   0.00000   0.00298   0.00298   2.35108
   R58        2.57192   0.00008   0.00000   0.00520   0.00659   2.57851
   R59        2.09580   0.00001   0.00000   0.00039   0.00039   2.09619
   R60        2.76924  -0.00004   0.00000   0.00273   0.00358   2.77282
   R61        2.76504   0.00000   0.00000   0.00338   0.00308   2.76812
   R62        2.07483  -0.00002   0.00000   0.00224   0.00224   2.07707
   R63        2.08389   0.00000   0.00000   0.00041   0.00041   2.08430
   R64        2.07974   0.00007   0.00000   0.00584   0.00711   2.08685
   R65        2.07619  -0.00002   0.00000  -0.00075  -0.00075   2.07545
   R66        2.08413  -0.00003   0.00000  -0.00006  -0.00017   2.08396
   R67        2.08302   0.00000   0.00000   0.00023   0.00023   2.08325
    A1        0.67974   0.00000   0.00000   0.00138   0.00129   0.68102
    A2        0.95644   0.00000   0.00000   0.00145   0.00138   0.95782
    A3        0.72739   0.00000   0.00000   0.00495   0.00484   0.73223
    A4        1.01935  -0.00001   0.00000   0.00556   0.00539   1.02475
    A5        2.34134   0.00000   0.00000   0.00422   0.00432   2.34567
    A6        2.02213   0.00000   0.00000   0.00399   0.00415   2.02628
    A7        1.97774   0.00000   0.00000   0.00153   0.00169   1.97944
    A8        1.68417   0.00000   0.00000   0.00179   0.00195   1.68612
    A9        1.65236   0.00000   0.00000   0.00466   0.00484   1.65720
   A10        1.37095   0.00000   0.00000   0.00440   0.00456   1.37551
   A11        1.73389  -0.00001   0.00000   0.00066   0.00052   1.73441
   A12        2.03864  -0.00001   0.00000   0.00223   0.00213   2.04076
   A13        1.94288  -0.00001   0.00000   0.00293   0.00287   1.94575
   A14        2.02803  -0.00001   0.00000   0.00650   0.00644   2.03447
   A15        2.43364   0.00000   0.00000   0.00348   0.00338   2.43702
   A16        1.55746   0.00001   0.00000   0.01526   0.01533   1.57279
   A17        1.76592   0.00001   0.00000   0.01298   0.01290   1.77882
   A18        1.55735   0.00001   0.00000   0.00690   0.00700   1.56434
   A19        1.70024   0.00001   0.00000   0.02541   0.02505   1.72529
   A20        2.17513   0.00001   0.00000   0.01388   0.01374   2.18887
   A21        2.39559   0.00000   0.00000   0.01653   0.01636   2.41196
   A22        0.64198   0.00000   0.00000  -0.00134  -0.00132   0.64066
   A23        0.65923   0.00000   0.00000   0.00171   0.00167   0.66090
   A24        2.39222   0.00000   0.00000  -0.00105  -0.00102   2.39119
   A25        2.21914   0.00000   0.00000   0.00012   0.00014   2.21927
   A26        2.31914   0.00000   0.00000   0.00111   0.00109   2.32023
   A27        2.05458   0.00000   0.00000   0.00264   0.00261   2.05719
   A28        1.81199   0.00000   0.00000  -0.00013  -0.00010   1.81189
   A29        1.57105   0.00000   0.00000   0.00042   0.00042   1.57147
   A30        1.34078  -0.00001   0.00000  -0.00150  -0.00145   1.33933
   A31        1.63981   0.00000   0.00000  -0.00134  -0.00127   1.63854
   A32        1.58862  -0.00001   0.00000  -0.00222  -0.00213   1.58649
   A33        1.73817  -0.00001   0.00000   0.00091   0.00098   1.73915
   A34        2.03706   0.00000   0.00000   0.00089   0.00097   2.03803
   A35        1.81366   0.00001   0.00000   0.02380   0.02372   1.83738
   A36        1.89257   0.00001   0.00000   0.02457   0.02457   1.91713
   A37        1.55441   0.00001   0.00000   0.01665   0.01684   1.57126
   A38        1.57754   0.00001   0.00000   0.03222   0.03210   1.60964
   A39        2.26045   0.00000   0.00000   0.02504   0.02498   2.28543
   A40        2.35523   0.00000   0.00000   0.02573   0.02573   2.38097
   A41        0.68826   0.00000   0.00000  -0.00036  -0.00041   0.68785
   A42        0.74557  -0.00001   0.00000   0.00262   0.00257   0.74814
   A43        2.65674   0.00000   0.00000  -0.00318  -0.00318   2.65356
   A44        2.59712   0.00000   0.00000  -0.00023  -0.00023   2.59688
   A45        2.65607   0.00000   0.00000   0.00350   0.00351   2.65958
   A46        2.35141   0.00000   0.00000   0.00467   0.00470   2.35610
   A47        2.18987   0.00000   0.00000  -0.00034  -0.00032   2.18955
   A48        1.95564   0.00000   0.00000   0.00083   0.00083   1.95647
   A49        1.09769  -0.00001   0.00000  -0.00347  -0.00348   1.09421
   A50        1.45764  -0.00001   0.00000  -0.00274  -0.00272   1.45492
   A51        1.55682  -0.00001   0.00000  -0.00319  -0.00313   1.55370
   A52        1.79037  -0.00001   0.00000  -0.00021  -0.00013   1.79025
   A53        1.78511   0.00000   0.00000  -0.00003   0.00000   1.78511
   A54        1.66892   0.00002   0.00000   0.02509   0.02502   1.69394
   A55        1.62021   0.00001   0.00000   0.02707   0.02715   1.64736
   A56        1.22814   0.00001   0.00000   0.01853   0.01876   1.24690
   A57        1.20333   0.00000   0.00000   0.03216   0.03206   1.23539
   A58        1.93090   0.00000   0.00000   0.02579   0.02576   1.95667
   A59        1.97893   0.00000   0.00000   0.02537   0.02536   2.00429
   A60        0.83862   0.00000   0.00000  -0.00496  -0.00503   0.83358
   A61        0.77433  -0.00001   0.00000  -0.00275  -0.00281   0.77152
   A62        2.59805   0.00001   0.00000  -0.01008  -0.01010   2.58795
   A63        2.76258   0.00000   0.00000  -0.00904  -0.00915   2.75343
   A64        2.61074   0.00000   0.00000   0.00766   0.00761   2.61836
   A65        2.38783   0.00000   0.00000  -0.00681  -0.00691   2.38092
   A66        2.19361   0.00000   0.00000  -0.00356  -0.00367   2.18994
   A67        0.85471  -0.00001   0.00000  -0.00708  -0.00704   0.84767
   A68        1.23091  -0.00001   0.00000  -0.00647  -0.00644   1.22448
   A69        1.40879  -0.00001   0.00000  -0.00830  -0.00824   1.40055
   A70        1.67842   0.00000   0.00000  -0.00607  -0.00598   1.67244
   A71        1.52175   0.00000   0.00000  -0.00187  -0.00181   1.51994
   A72        1.68605   0.00002   0.00000   0.02964   0.02957   1.71562
   A73        1.53297   0.00001   0.00000   0.03322   0.03337   1.56634
   A74        1.10789   0.00001   0.00000   0.02554   0.02580   1.13369
   A75        1.00596   0.00000   0.00000   0.03622   0.03621   1.04217
   A76        1.76834   0.00000   0.00000   0.03008   0.03006   1.79840
   A77        1.75732   0.00000   0.00000   0.02830   0.02828   1.78560
   A78        1.99444   0.00000   0.00000  -0.00160  -0.00154   1.99291
   A79        1.93730   0.00000   0.00000  -0.00170  -0.00164   1.93566
   A80        2.21543   0.00000   0.00000  -0.00160  -0.00157   2.21386
   A81        2.07281   0.00000   0.00000   0.00045   0.00046   2.07327
   A82        1.54926   0.00000   0.00000  -0.00197  -0.00192   1.54734
   A83        1.38248   0.00000   0.00000  -0.00137  -0.00137   1.38111
   A84        1.19988   0.00000   0.00000   0.00010   0.00012   1.19999
   A85        1.38484   0.00000   0.00000  -0.00065  -0.00061   1.38424
   A86        1.21651  -0.00001   0.00000  -0.00187  -0.00181   1.21470
   A87        1.32005   0.00000   0.00000   0.00117   0.00122   1.32127
   A88        1.81141   0.00000   0.00000   0.00084   0.00089   1.81230
   A89        2.24554   0.00001   0.00000   0.02322   0.02313   2.26868
   A90        2.30183   0.00001   0.00000   0.02596   0.02595   2.32779
   A91        1.91537   0.00001   0.00000   0.01847   0.01863   1.93400
   A92        1.84378   0.00000   0.00000   0.03123   0.03115   1.87493
   A93        2.60617   0.00000   0.00000   0.02520   0.02512   2.63128
   A94        2.55037   0.00000   0.00000   0.02109   0.02088   2.57124
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   A327       3.07118   0.00001   0.00000   0.02981   0.02961   3.10079
   A328       3.19374   0.00001   0.00000   0.02390   0.02398   3.21772
   A329       3.26073   0.00000   0.00000   0.00724   0.00724   3.26797
   A330       3.26562   0.00000   0.00000  -0.01329  -0.01325   3.25236
   A331       3.64244   0.00001   0.00000   0.00699   0.00726   3.64971
   A332       3.21182   0.00000   0.00000  -0.01481  -0.01484   3.19698
   A333       3.00044   0.00001   0.00000  -0.01052  -0.01081   2.98963
   A334       2.93558   0.00001   0.00000  -0.01010  -0.01039   2.92518
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   A337       3.10158   0.00001   0.00000   0.00470   0.00471   3.10629
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    D4       -1.33882   0.00000   0.00000  -0.00970  -0.00977  -1.34859
    D5        1.66351   0.00000   0.00000   0.01568   0.01556   1.67907
    D6       -2.45632   0.00000   0.00000   0.00034   0.00024  -2.45608
    D7        1.84525   0.00000   0.00000   0.01178   0.01167   1.85692
    D8       -2.27458   0.00001   0.00000  -0.00356  -0.00365  -2.27823
    D9        0.32356  -0.00001   0.00000   0.01841   0.01841   0.34197
   D10        2.48692   0.00000   0.00000   0.00307   0.00310   2.49001
   D11        0.03824  -0.00001   0.00000   0.02062   0.02058   0.05883
   D12        2.20160   0.00000   0.00000   0.00529   0.00527   2.20687
   D13       -0.43081   0.00000   0.00000   0.02045   0.02038  -0.41043
   D14        1.73255   0.00000   0.00000   0.00511   0.00507   1.73761
   D15       -0.55136   0.00000   0.00000   0.02077   0.02071  -0.53065
   D16        1.61199   0.00000   0.00000   0.00543   0.00539   1.61738
   D17        0.21735   0.00000   0.00000   0.02290   0.02287   0.24022
   D18        2.38071   0.00000   0.00000   0.00756   0.00756   2.38826
   D19        0.15249   0.00000   0.00000   0.02332   0.02329   0.17578
   D20        2.31584   0.00000   0.00000   0.00798   0.00797   2.32382
   D21        2.40522   0.00001   0.00000   0.02196   0.02189   2.42711
   D22       -1.71461   0.00001   0.00000   0.00662   0.00657  -1.70804
   D23        2.16038   0.00000   0.00000   0.02160   0.02154   2.18192
   D24       -1.95945   0.00000   0.00000   0.00627   0.00622  -1.95323
   D25        1.71909   0.00000   0.00000   0.01974   0.01961   1.73870
   D26       -2.40074   0.00000   0.00000   0.00440   0.00429  -2.39645
   D27        1.41216   0.00000   0.00000   0.01844   0.01824   1.43040
   D28       -2.70767   0.00000   0.00000   0.00310   0.00293  -2.70475
   D29        2.36917  -0.00001   0.00000   0.02323   0.02320   2.39236
   D30       -1.75066  -0.00001   0.00000   0.00790   0.00788  -1.74278
   D31       -1.78066   0.00001   0.00000   0.03098   0.03077  -1.74990
   D32        0.38269   0.00001   0.00000   0.01565   0.01545   0.39814
   D33       -2.11908   0.00000   0.00000   0.03846   0.03860  -2.08048
   D34        0.04428   0.00000   0.00000   0.02312   0.02328   0.06756
   D35       -2.49830   0.00000   0.00000   0.03371   0.03377  -2.46453
   D36       -0.33495   0.00001   0.00000   0.01837   0.01845  -0.31650
   D37       -2.78309  -0.00001   0.00000   0.03342   0.03368  -2.74941
   D38       -0.61974  -0.00001   0.00000   0.01809   0.01837  -0.60137
   D39       -2.12788  -0.00001   0.00000   0.03969   0.03973  -2.08815
   D40        0.03547  -0.00001   0.00000   0.02436   0.02442   0.05989
   D41       -2.37470  -0.00001   0.00000   0.04196   0.04216  -2.33254
   D42       -0.21134  -0.00001   0.00000   0.02663   0.02685  -0.18450
   D43        1.26264   0.00001   0.00000   0.00626   0.00630   1.26893
   D44       -1.92190   0.00000   0.00000  -0.01424  -0.01421  -1.93611
   D45        2.45848   0.00000   0.00000   0.01430   0.01425   2.47273
   D46       -0.72605  -0.00001   0.00000  -0.00620  -0.00626  -0.73231
   D47        2.94503   0.00000   0.00000   0.01217   0.01204   2.95707
   D48       -0.23951   0.00000   0.00000  -0.00833  -0.00847  -0.24797
   D49        2.86221   0.00000   0.00000   0.02292   0.02291   2.88512
   D50       -0.32233   0.00000   0.00000   0.00242   0.00240  -0.31992
   D51        2.05286   0.00000   0.00000   0.02747   0.02752   2.08038
   D52       -1.13167   0.00000   0.00000   0.00697   0.00701  -1.12466
   D53        1.16862   0.00000   0.00000   0.02598   0.02607   1.19469
   D54       -2.01591   0.00000   0.00000   0.00548   0.00556  -2.01035
   D55        1.02623   0.00001   0.00000   0.02022   0.02027   1.04649
   D56       -2.15831   0.00000   0.00000  -0.00028  -0.00024  -2.15855
   D57        2.02612   0.00000   0.00000   0.02345   0.02354   2.04967
   D58       -1.15841   0.00000   0.00000   0.00295   0.00303  -1.15537
   D59        1.83266   0.00001   0.00000   0.02125   0.02134   1.85400
   D60       -1.35188   0.00000   0.00000   0.00075   0.00083  -1.35105
   D61       -2.27256   0.00001   0.00000   0.01884   0.01884  -2.25372
   D62        0.82610   0.00001   0.00000  -0.00166  -0.00167   0.82443
   D63       -2.40929   0.00001   0.00000   0.01658   0.01656  -2.39274
   D64        0.68936   0.00000   0.00000  -0.00392  -0.00395   0.68541
   D65       -2.81159   0.00000   0.00000   0.01532   0.01525  -2.79634
   D66        0.28706   0.00000   0.00000  -0.00518  -0.00526   0.28180
   D67       -2.99029   0.00000   0.00000   0.01663   0.01648  -2.97380
   D68        0.10837   0.00000   0.00000  -0.00387  -0.00402   0.10434
   D69       -2.13433   0.00000   0.00000   0.01564   0.01562  -2.11871
   D70        0.96432   0.00000   0.00000  -0.00486  -0.00489   0.95943
   D71       -0.16456   0.00001   0.00000   0.01296   0.01280  -0.15176
   D72        2.93409   0.00000   0.00000  -0.00754  -0.00771   2.92638
   D73       -0.55841   0.00000   0.00000   0.01991   0.02001  -0.53840
   D74        2.54024   0.00000   0.00000  -0.00059  -0.00050   2.53975
   D75       -0.74012   0.00000   0.00000   0.02304   0.02294  -0.71718
   D76        2.35853   0.00000   0.00000   0.00254   0.00243   2.36096
   D77       -1.07843  -0.00001   0.00000   0.01626   0.01647  -1.06196
   D78        2.02022  -0.00001   0.00000  -0.00424  -0.00404   2.01619
   D79       -0.83181  -0.00001   0.00000   0.01547   0.01541  -0.81640
   D80        2.26684  -0.00001   0.00000  -0.00503  -0.00510   2.26174
   D81       -1.13808   0.00000   0.00000   0.01295   0.01281  -1.12528
   D82        1.96057  -0.00001   0.00000  -0.00755  -0.00770   1.95287
   D83       -1.53467   0.00000   0.00000   0.01135   0.01127  -1.52340
   D84       -2.60986  -0.00001   0.00000   0.01264   0.01261  -2.59725
   D85       -2.94886   0.00000   0.00000   0.00761   0.00756  -2.94130
   D86        0.73396   0.00000   0.00000   0.01786   0.01788   0.75184
   D87        0.31102   0.00000   0.00000   0.01958   0.01961   0.33064
   D88       -0.06379   0.00000   0.00000   0.02024   0.02024  -0.04355
   D89       -0.40011   0.00000   0.00000   0.01964   0.01967  -0.38044
   D90        0.18340   0.00000   0.00000   0.01974   0.01984   0.20324
   D91       -0.05386   0.00000   0.00000   0.01906   0.01917  -0.03469
   D92        2.40386   0.00002   0.00000   0.01822   0.01821   2.42207
   D93        2.05464   0.00001   0.00000   0.01612   0.01610   2.07074
   D94        1.66212   0.00000   0.00000   0.01536   0.01527   1.67739
   D95        1.37446   0.00000   0.00000   0.01472   0.01457   1.38903
   D96        2.05611   0.00000   0.00000   0.01377   0.01376   2.06987
   D97       -1.92617   0.00002   0.00000   0.02384   0.02385  -1.90232
   D98       -2.44221   0.00000   0.00000   0.02392   0.02438  -2.41783
   D99       -2.66691   0.00000   0.00000   0.02062   0.02066  -2.64625
   D100      -2.99233  -0.00001   0.00000   0.00603   0.00626  -2.98607
   D101      -2.88507  -0.00001   0.00000   0.00559   0.00525  -2.87982
   D102       2.86426   0.00000   0.00000  -0.01169  -0.01254   2.85172
   D103      -2.90079   0.00000   0.00000   0.00727   0.00715  -2.89364
   D104       1.19651   0.00000   0.00000   0.00468   0.00455   1.20106
   D105       2.81167   0.00000   0.00000   0.00059   0.00066   2.81233
   D106       0.62578   0.00001   0.00000  -0.00200  -0.00193   0.62385
   D107       2.31555   0.00000   0.00000  -0.00238  -0.00237   2.31318
   D108       0.12966   0.00000   0.00000  -0.00497  -0.00496   0.12470
   D109       1.75846   0.00000   0.00000   0.00753   0.00755   1.76600
   D110      -0.42743   0.00000   0.00000   0.00494   0.00495  -0.42248
   D111       2.59282   0.00000   0.00000   0.00303   0.00305   2.59587
   D112       0.40693   0.00000   0.00000   0.00044   0.00046   0.40739
   D113       2.25595   0.00000   0.00000   0.00531   0.00541   2.26137
   D114       0.07007   0.00000   0.00000   0.00272   0.00282   0.07289
   D115      -1.61185  -0.00001   0.00000   0.00246   0.00245  -1.60940
   D116       2.48545  -0.00001   0.00000  -0.00013  -0.00014   2.48531
   D117      -1.77372   0.00000   0.00000   0.00413   0.00412  -1.76960
   D118       2.32358   0.00000   0.00000   0.00154   0.00153   2.32511
   D119      -2.73510  -0.00001   0.00000   0.00036   0.00029  -2.73481
   D120       1.36220   0.00000   0.00000  -0.00223  -0.00231   1.35989
   D121      -2.69889  -0.00001   0.00000   0.00176   0.00168  -2.69721
   D122       1.39841  -0.00001   0.00000  -0.00083  -0.00092   1.39749
   D123       1.32756   0.00000   0.00000   0.00318   0.00318   1.33074
   D124      -0.85833   0.00000   0.00000   0.00059   0.00059  -0.85774
   D125       1.29690   0.00000   0.00000   0.00417   0.00418   1.30109
   D126      -0.88898   0.00000   0.00000   0.00158   0.00159  -0.88739
   D127       1.65193   0.00001   0.00000   0.00566   0.00572   1.65766
   D128      -0.53396   0.00001   0.00000   0.00307   0.00313  -0.53082
   D129       1.77772   0.00001   0.00000   0.00393   0.00409   1.78181
   D130      -0.40817   0.00001   0.00000   0.00134   0.00150  -0.40667
   D131       0.89629   0.00000   0.00000   0.00321   0.00320   0.89949
   D132      -1.28960   0.00000   0.00000   0.00062   0.00061  -1.28899
   D133      -0.94930   0.00000   0.00000   0.00970   0.00974  -0.93957
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   D138      -2.39454  -0.00001   0.00000  -0.01069  -0.01062  -2.40515
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   D446      -3.12152   0.00001   0.00000  -0.00508  -0.00509  -3.12661
   D447      -0.00683   0.00001   0.00000   0.00851   0.00851   0.00168
   D448       2.42557   0.00000   0.00000   0.00572   0.00572   2.43129
   D449      -1.77327   0.00000   0.00000   0.00526   0.00527  -1.76800
   D450       0.33469   0.00001   0.00000   0.00628   0.00629   0.34098
   D451      -0.69042   0.00000   0.00000  -0.00719  -0.00720  -0.69762
   D452       1.39393   0.00000   0.00000  -0.00765  -0.00766   1.38627
   D453      -2.78130   0.00000   0.00000  -0.00663  -0.00664  -2.78793
   D454       2.06140   0.00000   0.00000  -0.01440  -0.01440   2.04700
   D455      -2.13733   0.00000   0.00000  -0.01395  -0.01397  -2.15130
   D456      -0.04393   0.00000   0.00000  -0.01408  -0.01410  -0.05803
   D457      -1.10577   0.00000   0.00000  -0.00147  -0.00148  -1.10725
   D458       0.97869   0.00000   0.00000  -0.00103  -0.00104   0.97764
   D459       3.07208   0.00000   0.00000  -0.00116  -0.00117   3.07091
   D460      -3.09092   0.00003   0.00000  -0.00677  -0.00683  -3.09775
   D461      -0.03066   0.00003   0.00000  -0.00370  -0.00372  -0.03438
   D462       0.06394   0.00001   0.00000  -0.00111  -0.00113   0.06281
   D463       3.12420   0.00001   0.00000   0.00196   0.00198   3.12618
   D464       1.94409  -0.00003   0.00000  -0.01267  -0.01265   1.93144
   D465      -2.25663  -0.00001   0.00000  -0.01028  -0.01018  -2.26680
   D466      -0.16369  -0.00002   0.00000  -0.01118  -0.01113  -0.17482
   D467      -1.11946  -0.00003   0.00000  -0.01582  -0.01583  -1.13529
   D468       0.96301  -0.00001   0.00000  -0.01343  -0.01336   0.94964
   D469       3.05594  -0.00002   0.00000  -0.01433  -0.01431   3.04163
   D470      -1.65105   0.00001   0.00000   0.01166   0.01165  -1.63940
   D471       0.45330   0.00001   0.00000   0.01084   0.01086   0.46416
   D472       2.54559   0.00001   0.00000   0.01074   0.01076   2.55636
   D473       1.41284   0.00001   0.00000   0.01479   0.01481   1.42765
   D474      -2.76600   0.00001   0.00000   0.01397   0.01402  -2.75198
   D475      -0.67371   0.00001   0.00000   0.01387   0.01393  -0.65978
   D476      -0.00067  -0.00002   0.00000   0.00936   0.00928   0.00861
   D477      -3.09765   0.00000   0.00000  -0.01907  -0.01883  -3.11648
   D478       3.11597  -0.00002   0.00000   0.00979   0.00927   3.12524
   D479       0.01899   0.00000   0.00000  -0.01864  -0.01884   0.00016
   D480      -0.34646  -0.00001   0.00000  -0.14044  -0.14047  -0.48693
   D481       1.76117  -0.00002   0.00000  -0.15207  -0.15136   1.60982
   D482      -2.43560   0.00000   0.00000  -0.13198  -0.13136  -2.56696
   D483       2.75262  -0.00003   0.00000  -0.11360  -0.11378   2.63884
   D484      -1.42294  -0.00003   0.00000  -0.12523  -0.12466  -1.54760
   D485       0.66347  -0.00002   0.00000  -0.10514  -0.10467   0.55881
   D486      -0.00088  -0.00001   0.00000   0.06595   0.06603   0.06515
   D487       2.09176  -0.00001   0.00000   0.05799   0.05811   2.14987
   D488      -2.10591   0.00000   0.00000   0.06258   0.06268  -2.04323
   D489      -3.09998   0.00000   0.00000   0.03921   0.03936  -3.06062
   D490      -1.00735   0.00001   0.00000   0.03125   0.03144  -0.97591
   D491       1.07818   0.00001   0.00000   0.03583   0.03601   1.11418
         Item               Value     Threshold  Converged?
 Maximum Force            0.000086     0.000450     YES
 RMS     Force            0.000011     0.000300     YES
 Maximum Displacement     0.257958     0.001800     NO 
 RMS     Displacement     0.021669     0.001200     NO 
 Predicted change in Energy=-1.459143D-04
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:26:05 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.822644   -0.586286    1.671225
      2          6           0       -2.083540    1.103334   -1.328701
      3          8           0       -2.654868    0.103615   -1.798590
      4          7           0       -0.776649    1.158218   -0.953767
      5          1           0       -2.625342    2.050712   -1.131845
      6          6           0       -0.231581    2.320704   -0.259635
      7          1           0       -0.994698    3.110334   -0.207527
      8          1           0        0.060846    2.032540    0.763386
      9          1           0        0.652714    2.703551   -0.794725
     10          6           0        0.124958    0.015871   -1.112264
     11          1           0        0.676429   -0.145412   -0.172813
     12          1           0       -0.461263   -0.879874   -1.354706
     13          1           0        0.852122    0.214503   -1.916413
     14          6           0       -1.987328   -4.008302    2.621073
     15          8           0       -2.113973   -3.863196    3.848780
     16          7           0       -2.923817   -3.691753    1.686225
     17          1           0       -1.056184   -4.404210    2.169032
     18          6           0       -4.226243   -3.133233    2.057157
     19          1           0       -4.491816   -2.340006    1.340861
     20          1           0       -5.006218   -3.912330    2.026566
     21          1           0       -4.168963   -2.710468    3.068489
     22          6           0       -2.673033   -3.877437    0.257213
     23          1           0       -3.380214   -4.612123   -0.161521
     24          1           0       -2.809253   -2.918958   -0.269441
     25          1           0       -1.643806   -4.231483    0.105573
     26          6           0        1.542800    0.389216    2.607960
     27          8           0        1.356209    1.411344    3.290434
     28          7           0        1.173257   -0.875827    2.952725
     29          1           0        2.029265    0.430651    1.613552
     30          6           0        1.485633   -2.027745    2.103688
     31          1           0        2.241686   -2.667926    2.588572
     32          1           0        0.573390   -2.626641    1.939556
     33          1           0        1.867169   -1.675362    1.135762
     34          6           0        0.528971   -1.157943    4.238986
     35          1           0        1.276568   -1.454620    4.994363
     36          1           0        0.000635   -0.259744    4.582825
     37          1           0       -0.186640   -1.982276    4.107058
     38          6           0       -4.662683    1.233882    2.951664
     39          8           0       -4.940153    1.899722    1.937982
     40          7           0       -3.525400    1.358691    3.695198
     41          1           0       -5.334255    0.437219    3.332143
     42          6           0       -2.490561    2.340821    3.352361
     43          1           0       -2.522307    2.525174    2.269257
     44          1           0       -2.693259    3.272812    3.906291
     45          1           0       -1.503673    1.928058    3.626564
     46          6           0       -3.275247    0.504090    4.858295
     47          1           0       -4.083772   -0.233492    4.950358
     48          1           0       -2.318210   -0.028374    4.729106
     49          1           0       -3.220286    1.110085    5.777565
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.452889   0.000000
     3  O    3.634306   1.243643   0.000000
     4  N    3.320841   1.360718   2.313789   0.000000
     5  H    3.931321   1.108976   2.058302   2.060564   0.000000
     6  C    3.835400   2.460619   3.627146   1.459552   2.561979
     7  H    4.228499   2.543749   3.785235   2.101232   2.153175
     8  H    3.351113   3.136661   4.202330   2.101059   3.287528
     9  H    4.799097   3.214484   4.325218   2.111025   3.359390
    10  C    3.450154   2.471211   2.864643   1.463890   3.421273
    11  H    3.136912   3.242356   3.715200   2.102564   4.079754
    12  H    3.331038   2.562337   2.444624   2.100962   3.649827
    13  H    4.546074   3.123066   3.510721   2.114280   4.009984
    14  C    3.555211   6.460556   6.073458   6.398293   7.155634
    15  O    3.945219   7.174514   6.922496   7.075839   7.748705
    16  N    3.294955   5.726142   5.159563   5.924703   6.403632
    17  H    3.925789   6.604743   6.214362   6.385187   7.417820
    18  C    3.523233   5.831269   5.273821   6.275501   6.293321
    19  H    3.210787   4.978247   4.381988   5.595119   5.373677
    20  H    4.617789   6.704979   6.023992   7.244453   7.155557
    21  H    3.459726   6.182989   5.822371   6.530932   6.534095
    22  C    3.681612   5.260295   4.480562   5.515485   6.088900
    23  H    4.689600   5.975794   5.044235   6.379893   6.775302
    24  H    3.190759   4.222265   3.390882   4.606859   5.047294
    25  H    3.971235   5.541730   4.841607   5.560849   6.477699
    26  C    3.627022   5.399778   6.092591   4.319387   5.841243
    27  O    4.088700   5.767421   6.610375   4.756721   5.984822
    28  N    3.271315   5.731877   6.179713   4.816654   6.299023
    29  H    3.984305   5.101423   5.804375   3.872161   5.641557
    30  C    3.634491   5.858664   6.075708   4.961483   6.633446
    31  H    4.657631   6.948022   7.134765   6.024773   7.732723
    32  H    3.158486   5.626144   5.643553   4.951675   6.445388
    33  H    3.884267   5.422438   5.676619   4.402849   6.261655
    34  C    3.528495   6.552688   6.941231   5.833861   7.006495
    35  H    4.626269   7.603591   8.001782   6.813434   8.064904
    36  H    3.450853   6.414663   6.921430   5.767897   6.700105
    37  H    3.249397   6.531975   6.731997   5.985213   7.046869
    38  C    3.608096   4.999054   5.279559   5.509934   4.636056
    39  O    3.996280   4.411993   4.733973   5.123163   3.847724
    40  N    3.283105   5.232947   5.702171   5.404508   4.958764
    41  H    4.017165   5.721391   5.797829   6.297669   5.465231
    42  C    3.440972   4.858949   5.618219   4.783177   4.495601
    43  H    3.244742   3.893513   4.735916   3.912003   3.435582
    44  H    4.543801   5.699433   6.526174   5.636050   5.184684
    45  H    3.201096   5.056784   5.838334   4.701133   4.890362
    46  C    3.668295   6.329153   6.697714   6.360106   6.220627
    47  H    3.998734   6.724181   6.906787   6.908879   6.658663
    48  H    3.147616   6.167079   6.537705   6.006618   6.226370
    49  H    4.657586   7.196614   7.663603   7.161321   6.998477
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.099353   0.000000
     8  H    1.102327   1.794014   0.000000
     9  H    1.102212   1.795617   1.796739   0.000000
    10  C    2.483214   3.412899   2.754837   2.757350   0.000000
    11  H    2.629401   3.659747   2.449262   2.916149   1.101227
    12  H    3.390522   4.185969   3.638828   3.794135   1.097631
    13  H    2.890573   3.836258   3.333571   2.737391   1.102215
    14  C    7.171990   7.724070   6.643628   7.980380   5.881626
    15  O    7.659183   8.144723   7.000657   8.505225   6.683706
    16  N    6.869071   7.319575   6.521301   7.736058   5.556351
    17  H    7.197420   7.881635   6.682465   7.888248   5.630196
    18  C    7.146347   7.386054   6.836533   8.124377   6.236588
    19  H    6.514093   6.658344   6.338720   7.514279   5.734334
    20  H    8.177688   8.390546   7.912790   9.151670   7.184148
    21  H    7.203615   7.395267   6.760245   8.214900   6.584024
    22  C    6.681675   7.201509   6.531320   7.448260   4.986188
    23  H    7.614959   8.082644   7.539754   8.377621   5.882896
    24  H    5.839396   6.296730   5.815628   6.623726   4.234757
    25  H    6.712593   7.377103   6.525070   7.360654   4.759377
    26  C    3.886152   4.665870   2.880825   4.210305   3.998716
    27  O    3.993870   4.544123   2.906857   4.342030   4.779861
    28  N    4.744538   5.529620   3.806476   5.208291   4.291642
    29  H    3.491784   4.431859   2.676472   3.586191   3.350895
    30  C    5.238619   6.155779   4.506921   5.610679   4.046004
    31  H    6.254260   7.188925   5.493792   6.544028   5.037806
    32  H    5.473632   6.323112   4.832602   5.991121   4.061720
    33  H    4.724450   5.735642   4.141256   4.937262   3.308956
    34  C    5.737335   6.349112   4.741109   6.345447   5.493354
    35  H    6.643198   7.284031   5.615998   7.154937   6.385879
    36  H    5.491999   5.941009   4.454920   6.174494   5.703109
    37  H    6.130715   6.723338   5.230692   6.832933   5.597411
    38  C    5.579273   5.191885   5.266702   6.666993   6.396919
    39  O    5.213194   4.651387   5.138804   6.276462   6.205501
    40  N    5.235973   4.970309   4.680893   6.278909   6.183848
    41  H    6.518102   6.205365   6.184713   7.616501   7.052183
    42  C    4.260271   3.937329   3.647946   5.216328   5.672672
    43  H    3.418263   2.968241   3.030349   4.415943   4.973861
    44  H    4.931663   4.453650   4.359039   5.798201   6.613313
    45  H    4.107911   4.044389   3.264419   4.979879   5.363338
    46  C    6.225528   6.136446   5.498542   7.226558   6.888202
    47  H    6.964720   6.879486   6.312171   8.004155   7.384509
    48  H    5.895738   5.997793   5.063025   6.841237   6.331875
    49  H    6.844395   6.691454   6.062899   7.793219   7.736776
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.797401   0.000000
    13  H    1.789008   1.799489   0.000000
    14  C    5.461073   5.284198   6.817869   0.000000
    15  O    6.146664   6.221569   7.659165   1.242723   0.000000
    16  N    5.384638   4.818515   6.518861   1.360572   2.315574
    17  H    5.159801   5.019123   6.454843   1.108203   2.057467
    18  C    6.159224   5.558192   7.265424   2.469107   2.864341
    19  H    5.815343   5.063933   6.759662   3.270262   3.776758
    20  H    7.163757   6.425371   8.179119   3.078368   3.418766
    21  H    6.368938   6.054978   7.656109   2.577612   2.482060
    22  C    5.033074   4.059014   5.821971   2.464782   3.634846
    23  H    6.033903   4.886066   6.654970   3.169789   4.271625
    24  H    4.455545   3.293739   5.092815   3.196451   4.281909
    25  H    4.707119   3.842408   5.484968   2.548638   3.790553
    26  C    2.961270   4.618396   4.580121   5.639161   5.744095
    27  O    3.857417   5.489099   5.366357   6.403112   6.338350
    28  N    3.247974   4.607129   5.000046   4.462252   4.531354
    29  H    2.313679   4.090325   3.727336   6.070619   6.371796
    30  C    3.062751   4.131404   4.646528   4.031346   4.401294
    31  H    4.054424   5.104165   5.525774   4.436465   4.689196
    32  H    3.260248   3.869608   4.797738   2.988433   3.520813
    33  H    2.339012   3.500975   3.730641   4.744039   5.291179
    34  C    4.528900   5.687467   6.314822   4.132063   3.802079
    35  H    5.364131   6.607652   7.122145   4.775649   4.313858
    36  H    4.804775   5.987669   6.571913   4.674628   4.242081
    37  H    4.736693   5.578672   6.495158   3.091182   2.705398
    38  C    6.338054   6.376889   7.426331   5.894685   5.768964
    39  O    6.339087   6.215175   7.158685   6.640071   6.696989
    40  N    5.905862   6.316775   7.208471   5.685422   5.411452
    41  H    6.982298   6.888202   8.115922   5.609830   5.397286
    42  C    5.351452   6.053710   6.592021   6.410881   6.235229
    43  H    4.829870   5.382877   5.851991   6.564776   6.593398
    44  H    6.299059   7.064326   7.471738   7.427297   7.159713
    45  H    4.846379   5.812414   6.261840   6.040307   5.827561
    46  C    6.430369   6.959544   7.938244   5.198613   4.630428
    47  H    6.993866   7.300288   8.468548   4.906101   4.274146
    48  H    5.745466   6.417638   7.367016   4.515873   3.939865
    49  H    7.222718   7.901989   8.751222   6.138527   5.447720
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056392   0.000000
    18  C    1.464872   3.417188   0.000000
    19  H    2.098837   4.092722   1.101279   0.000000
    20  H    2.121528   3.983091   1.102855   1.790810   0.000000
    21  H    2.103322   3.656115   1.097635   1.796155   1.797518
    22  C    1.462684   2.558660   2.491204   2.616478   2.928409
    23  H    2.114130   3.297851   2.797394   2.941993   2.814485
    24  H    2.105936   3.350429   2.732550   2.399849   3.329428
    25  H    2.104328   2.152440   3.418159   3.635214   3.885599
    26  C    6.120013   5.470311   6.781806   6.743203   7.856905
    27  O    6.850817   6.395142   7.303282   7.216153   8.391623
    28  N    5.130251   4.246654   5.920518   6.069183   6.947232
    29  H    6.444572   5.762329   7.213143   7.090515   8.278290
    30  C    4.731432   3.480329   5.818058   6.034013   6.760306
    31  H    5.342739   3.750552   6.506383   6.855973   7.375398
    32  H    3.664573   2.422380   4.827727   5.108514   5.726482
    33  H    5.227082   4.130406   6.332774   6.396914   7.282926
    34  C    4.985832   4.163613   5.592335   5.916477   6.566564
    35  H    5.795841   4.703649   6.459556   6.885220   7.370317
    36  H    5.359234   4.911197   5.701091   5.917764   6.704060
    37  H    4.034214   3.221462   4.673884   5.129752   5.593021
    38  C    5.374651   6.738503   4.479097   3.923845   5.239973
    39  O    5.949251   7.407979   5.084732   4.304980   5.813102
    40  N    5.468533   6.452692   4.832363   4.489679   5.723706
    41  H    5.056448   6.564613   3.949861   3.519643   4.553099
    42  C    6.273410   6.996653   5.886885   5.473692   6.869364
    43  H    6.257101   7.083497   5.913202   5.330185   6.904359
    44  H    7.313482   8.039574   6.841546   6.428061   7.778780
    45  H    6.112610   6.513238   5.957524   5.689447   6.995566
    46  C    5.271682   6.020614   4.688378   4.684151   5.524465
    47  H    4.894857   5.856360   4.098708   4.199091   4.788874
    48  H    4.800648   5.224426   4.518855   4.642026   5.441895
    49  H    6.315426   6.936303   5.732289   5.762314   6.517990
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391591   0.000000
    23  H    3.830324   1.102364   0.000000
    24  H    3.610270   1.102090   1.790098   0.000000
    25  H    4.179566   1.098932   1.797592   1.794888   0.000000
    26  C    6.514934   6.442328   7.544500   6.177687   6.145507
    27  O    6.896819   7.307970   8.404275   6.983931   7.140373
    28  N    5.649657   5.573993   6.662773   5.515173   5.225184
    29  H    7.099401   6.520037   7.605453   6.178738   6.123801
    30  C    5.776799   4.911755   5.957067   4.987189   4.317675
    31  H    6.428728   5.572487   6.553523   5.808893   4.868988
    32  H    4.875596   3.864458   4.897719   4.050604   3.294689
    33  H    6.421975   5.121955   6.151629   5.038854   4.463406
    34  C    5.084386   5.788177   6.824775   5.879696   5.590413
    35  H    5.911003   6.626461   7.631422   6.822453   6.335600
    36  H    5.068018   6.240763   7.272012   6.205753   6.206825
    37  H    4.179448   4.959344   5.944391   5.187410   4.816030
    38  C    3.976846   6.111003   6.746289   5.572863   6.861783
    39  O    4.809016   6.429649   7.017510   5.712541   7.198284
    40  N    4.167132   6.321654   7.109569   5.876181   6.904770
    41  H    3.366801   5.929043   6.443587   5.532717   6.769559
    42  C    5.330398   6.948379   7.841064   6.394083   7.379282
    43  H    5.546368   6.713008   7.588524   6.013809   7.148825
    44  H    6.219265   8.027593   8.898944   7.469150   8.477101
    45  H    5.378768   6.813494   7.787488   6.354287   7.096264
    46  C    3.786228   6.382037   7.168348   6.182887   6.904753
    47  H    3.111928   6.106891   6.767474   6.006865   6.738642
    48  H    3.657398   5.910923   6.786519   5.795004   6.284743
    49  H    4.778672   7.459836   8.248757   7.277940   7.949159
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.243114   0.000000
    28  N    1.362262   2.319195   0.000000
    29  H    1.107796   2.055893   2.057430   0.000000
    30  C    2.469668   3.640391   1.464704   2.565049   0.000000
    31  H    3.136070   4.232862   2.117963   3.255299   1.102978
    32  H    3.237578   4.329318   2.109906   3.401894   1.103541
    33  H    2.556377   3.798874   2.102885   2.165606   1.098465
    34  C    2.466130   2.860998   1.466002   3.415760   2.496249
    35  H    3.027463   3.335186   2.124608   3.943436   2.954350
    36  H    2.588342   2.510058   2.100434   3.661771   3.387797
    37  H    3.295790   3.816270   2.099056   4.117041   2.609992
    38  C    6.272130   6.031030   6.205568   6.871528   7.011353
    39  O    6.690230   6.458468   6.790225   7.129951   7.532807
    40  N    5.273388   4.898644   5.255636   6.004067   6.253904
    41  H    6.915245   6.761136   6.649493   7.561416   7.355000
    42  C    4.542125   3.957955   4.891840   5.205866   6.037688
    43  H    4.604577   4.162488   5.068642   5.053096   6.067954
    44  H    5.286301   4.499170   5.750690   5.969653   6.986302
    45  H    3.561824   2.925561   3.934690   4.333140   5.186857
    46  C    5.318908   4.973096   5.032351   6.218650   6.055083
    47  H    6.126410   5.920661   5.660343   6.996041   6.507008
    48  H    4.425047   4.200467   4.007998   5.368233   5.035825
    49  H    5.766544   5.217364   5.588093   6.734866   6.744555
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.790568   0.000000
    33  H    1.798918   1.795795   0.000000
    34  C    2.817324   2.728814   3.418845   0.000000
    35  H    2.862062   3.346631   3.909775   1.103410   0.000000
    36  H    3.846907   3.594039   4.167753   1.097326   1.795856
    37  H    2.944942   2.385565   3.625042   1.099559   1.790729
    38  C    7.938908   6.583651   7.375647   5.859291   6.831938
    39  O    8.536128   7.133521   7.730745   6.674972   7.696798
    40  N    7.120221   5.980404   6.695969   4.802819   5.715020
    41  H    8.221295   6.799030   7.819692   6.143640   7.074250
    42  C    6.932899   6.004956   6.327152   4.705850   5.593998
    43  H    7.054494   6.019406   6.180357   5.172570   6.139741
    44  H    7.834694   7.024428   7.277208   5.488628   6.268337
    45  H    6.018988   5.282563   5.527324   3.745678   4.587279
    46  C    6.756470   5.756086   6.712057   4.197377   4.957226
    47  H    7.177459   6.039971   7.214141   4.757946   5.497849
    48  H    5.686983   4.784761   5.756917   3.102029   3.876464
    49  H    7.367237   6.563948   7.428812   4.644147   5.235725
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796814   0.000000
    38  C    5.161215   5.631480   0.000000
    39  O    6.005820   6.509277   1.244140   0.000000
    40  N    3.979967   4.741203   1.364490   2.319924   0.000000
    41  H    5.523677   5.740417   1.109254   2.058620   2.062249
    42  C    3.805659   4.956490   2.470624   2.862784   1.467314
    43  H    4.412891   5.399071   2.591202   2.519308   2.097663
    44  H    4.493742   5.825753   2.991184   3.287575   2.097828
    45  H    2.822031   4.154054   3.304045   3.829034   2.101492
    46  C    3.375016   4.035575   2.468363   3.639771   1.464825
    47  H    4.100994   4.353968   2.546194   3.789248   2.102915
    48  H    2.334946   2.957747   3.201429   4.287484   2.109555
    49  H    3.698401   4.642876   3.175146   4.280639   2.119234
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.422090   0.000000
    43  H    3.660100   1.099140   0.000000
    44  H    3.917282   1.102965   1.807780   0.000000
    45  H    4.121000   1.104314   1.799012   1.817065   0.000000
    46  C    2.563811   2.501430   3.369692   2.985104   2.585212
    47  H    2.152250   3.423304   4.151713   3.913793   3.616855
    48  H    3.356309   2.745582   3.551496   3.422794   2.388870
    49  H    3.301773   2.815817   3.846802   2.908061   2.871001
                   46         47         48         49
    46  C    0.000000
    47  H    1.098279   0.000000
    48  H    1.102782   1.791154   0.000000
    49  H    1.102410   1.798633   1.791395   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2135113      0.1951535      0.1837726
 Leave Link  202 at Mon Nov 14 02:26:06 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.7850151377 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1851330605 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.5998820771 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4023
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.29D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     212
 GePol: Fraction of low-weight points (<1% of avg)   =       5.27%
 GePol: Cavity surface area                          =    466.298 Ang**2
 GePol: Cavity volume                                =    457.983 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0038748313 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.5960072458 Hartrees.
 Leave Link  301 at Mon Nov 14 02:26:06 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37507.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:26:07 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:26:07 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.005324    0.018023   -0.003167
         Rot=    0.999999   -0.000257   -0.000986   -0.000114 Ang=  -0.12 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50683892711    
 Leave Link  401 at Mon Nov 14 02:26:14 2016, MaxMem=  2952790016 cpu:        79.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48553587.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.77D-15 for   2180.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.23D-15 for   2341    150.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.88D-15 for   3364.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.81D-11 for   2791   1883.
 E= -1013.44324807848    
 DIIS: error= 1.87D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44324807848     IErMin= 1 ErrMin= 1.87D-03
 ErrMax= 1.87D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-03 BMatP= 3.98D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.87D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 GapD=    0.327 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.06D-04 MaxDP=1.29D-02              OVMax= 1.95D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.06D-04    CP:  1.00D+00
 E= -1013.45056280996     Delta-E=       -0.007314731485 Rises=F Damp=F
 DIIS: error= 2.86D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45056280996     IErMin= 2 ErrMin= 2.86D-04
 ErrMax= 2.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.85D-05 BMatP= 3.98D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.86D-03
 Coeff-Com:  0.193D-01 0.981D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.192D-01 0.981D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.61D-05 MaxDP=4.03D-03 DE=-7.31D-03 OVMax= 4.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.44D-05    CP:  1.00D+00  9.64D-01
 E= -1013.45049229800     Delta-E=        0.000070511964 Rises=F Damp=F
 DIIS: error= 6.17D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45056280996     IErMin= 2 ErrMin= 2.86D-04
 ErrMax= 6.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-04 BMatP= 6.85D-05
 IDIUse=3 WtCom= 2.87D-01 WtEn= 7.13D-01
 Coeff-Com:  0.312D-02 0.609D+00 0.388D+00
 Coeff-En:   0.000D+00 0.670D+00 0.330D+00
 Coeff:      0.896D-03 0.653D+00 0.346D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.93D-05 MaxDP=2.52D-03 DE= 7.05D-05 OVMax= 3.57D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.43D-05    CP:  1.00D+00  9.74D-01  5.25D-01
 E= -1013.45060908598     Delta-E=       -0.000116787982 Rises=F Damp=F
 DIIS: error= 2.08D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45060908598     IErMin= 4 ErrMin= 2.08D-04
 ErrMax= 2.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-05 BMatP= 6.85D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.08D-03
 Coeff-Com: -0.171D-04 0.282D+00 0.258D+00 0.460D+00
 Coeff-En:   0.000D+00 0.000D+00 0.132D+00 0.868D+00
 Coeff:     -0.171D-04 0.282D+00 0.257D+00 0.461D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=8.12D-04 DE=-1.17D-04 OVMax= 1.08D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.09D-06    CP:  1.00D+00  9.77D-01  5.18D-01  4.97D-01
 E= -1013.45062542957     Delta-E=       -0.000016343583 Rises=F Damp=F
 DIIS: error= 5.26D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45062542957     IErMin= 5 ErrMin= 5.26D-05
 ErrMax= 5.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-06 BMatP= 2.07D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D-04 0.163D+00 0.158D+00 0.316D+00 0.363D+00
 Coeff:      0.230D-04 0.163D+00 0.158D+00 0.316D+00 0.363D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.26D-06 MaxDP=2.00D-04 DE=-1.63D-05 OVMax= 3.28D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.22D-06    CP:  1.00D+00  9.77D-01  5.11D-01  5.17D-01  6.24D-01
 E= -1013.45062698636     Delta-E=       -0.000001556792 Rises=F Damp=F
 DIIS: error= 5.71D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45062698636     IErMin= 6 ErrMin= 5.71D-06
 ErrMax= 5.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-08 BMatP= 1.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.822D-05 0.474D-01 0.465D-01 0.100D+00 0.146D+00 0.660D+00
 Coeff:     -0.822D-05 0.474D-01 0.465D-01 0.100D+00 0.146D+00 0.660D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.25D-07 MaxDP=2.74D-05 DE=-1.56D-06 OVMax= 3.54D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.81D-07    CP:  1.00D+00  9.77D-01  5.13D-01  5.19D-01  6.13D-01
                    CP:  9.19D-01
 E= -1013.45062699933     Delta-E=       -0.000000012977 Rises=F Damp=F
 DIIS: error= 3.17D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45062699933     IErMin= 7 ErrMin= 3.17D-06
 ErrMax= 3.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-09 BMatP= 1.83D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-04 0.119D-01 0.119D-01 0.281D-01 0.495D-01 0.376D+00
 Coeff-Com:  0.522D+00
 Coeff:     -0.130D-04 0.119D-01 0.119D-01 0.281D-01 0.495D-01 0.376D+00
 Coeff:      0.522D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.48D-07 MaxDP=1.20D-05 DE=-1.30D-08 OVMax= 1.73D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.60D-07    CP:  1.00D+00  9.77D-01  5.13D-01  5.21D-01  6.19D-01
                    CP:  9.33D-01  6.93D-01
 E= -1013.45062700316     Delta-E=       -0.000000003821 Rises=F Damp=F
 DIIS: error= 1.07D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45062700316     IErMin= 8 ErrMin= 1.07D-06
 ErrMax= 1.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.61D-10 BMatP= 4.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.824D-05 0.526D-02 0.536D-02 0.130D-01 0.247D-01 0.210D+00
 Coeff-Com:  0.343D+00 0.399D+00
 Coeff:     -0.824D-05 0.526D-02 0.536D-02 0.130D-01 0.247D-01 0.210D+00
 Coeff:      0.343D+00 0.399D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.55D-08 MaxDP=5.83D-06 DE=-3.82D-09 OVMax= 7.86D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.49D-08    CP:  1.00D+00  9.77D-01  5.13D-01  5.21D-01  6.20D-01
                    CP:  9.33D-01  7.10D-01  6.62D-01
 E= -1013.45062700349     Delta-E=       -0.000000000340 Rises=F Damp=F
 DIIS: error= 5.32D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45062700349     IErMin= 9 ErrMin= 5.32D-07
 ErrMax= 5.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-10 BMatP= 5.61D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.281D-05 0.701D-03 0.802D-03 0.209D-02 0.547D-02 0.589D-01
 Coeff-Com:  0.127D+00 0.333D+00 0.473D+00
 Coeff:     -0.281D-05 0.701D-03 0.802D-03 0.209D-02 0.547D-02 0.589D-01
 Coeff:      0.127D+00 0.333D+00 0.473D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.27D-08 MaxDP=2.43D-06 DE=-3.40D-10 OVMax= 2.78D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.59D-08    CP:  1.00D+00  9.77D-01  5.13D-01  5.20D-01  6.21D-01
                    CP:  9.34D-01  7.08D-01  6.99D-01  5.87D-01
 E= -1013.45062700362     Delta-E=       -0.000000000128 Rises=F Damp=F
 DIIS: error= 6.05D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45062700362     IErMin=10 ErrMin= 6.05D-08
 ErrMax= 6.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-12 BMatP= 1.61D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.823D-06 0.647D-04 0.114D-03 0.334D-03 0.142D-02 0.183D-01
 Coeff-Com:  0.451D-01 0.144D+00 0.231D+00 0.559D+00
 Coeff:     -0.823D-06 0.647D-04 0.114D-03 0.334D-03 0.142D-02 0.183D-01
 Coeff:      0.451D-01 0.144D+00 0.231D+00 0.559D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.04D-09 MaxDP=3.75D-07 DE=-1.28D-10 OVMax= 3.23D-07

 Error on total polarization charges =  0.04302
 SCF Done:  E(RB97D) =  -1013.45062700     A.U. after   10 cycles
            NFock= 10  Conv=0.50D-08     -V/T= 2.0213
 KE= 9.923344649204D+02 PE=-6.028644993172D+03 EE= 2.174263894003D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.43
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:28:10 2016, MaxMem=  2952790016 cpu:      1331.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11980 LenP2D=   37507.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 02:28:18 2016, MaxMem=  2952790016 cpu:        96.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:28:18 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:28:55 2016, MaxMem=  2952790016 cpu:       440.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.12329078D+00-2.70108827D+00 3.16003944D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000957215   -0.001991940    0.000145866
      2        6          -0.000697303   -0.000913955    0.001076395
      3        8          -0.000415353    0.000315013   -0.001234719
      4        7          -0.000989512   -0.000317292   -0.000271126
      5        1           0.000545411   -0.000160072   -0.000377350
      6        6          -0.000260014    0.001994264    0.001053655
      7        1           0.000391949    0.000131093   -0.000131196
      8        1           0.000726592    0.000748586   -0.000116731
      9        1           0.000260021   -0.000398989    0.000288269
     10        6           0.000306520    0.000023090   -0.000791466
     11        1          -0.000054273    0.000080356    0.000188472
     12        1           0.000193979   -0.000119288   -0.000092256
     13        1           0.000118653   -0.000248647   -0.000104938
     14        6           0.000077720   -0.000058478    0.000005994
     15        8          -0.000040196    0.000054614    0.000111300
     16        7          -0.000019534   -0.000090361    0.000157520
     17        1           0.000037603    0.000049250    0.000005730
     18        6          -0.000077158   -0.000003842    0.000013721
     19        1          -0.000008701    0.000062821   -0.000301326
     20        1          -0.000007662    0.000001930    0.000009976
     21        1           0.000082888   -0.000109306   -0.000022544
     22        6          -0.000058171   -0.000085586   -0.000132103
     23        1           0.000013883    0.000024806   -0.000223016
     24        1          -0.000047672    0.000207515   -0.000173568
     25        1           0.000002863    0.000022510   -0.000037493
     26        6          -0.000305670   -0.000404994   -0.000522248
     27        8          -0.000033109   -0.001318725    0.000602555
     28        7           0.000296626    0.000151995    0.000488007
     29        1           0.000088074   -0.000259785    0.000011410
     30        6          -0.000515517    0.000679188    0.000059568
     31        1          -0.000145538   -0.000081247    0.000002537
     32        1           0.000884780    0.000681619    0.000137385
     33        1           0.000092671   -0.000253962   -0.000078032
     34        6           0.000296826    0.000431407   -0.000110480
     35        1           0.000030206   -0.000017619   -0.000070460
     36        1          -0.000122897    0.000079835    0.000094629
     37        1          -0.000044727    0.000101319    0.000035147
     38        6           0.002901600    0.000580331   -0.000873004
     39        8           0.000963029   -0.000662171    0.002186047
     40        7          -0.002568296   -0.004014899   -0.001761265
     41        1           0.000336913    0.000249054    0.000253278
     42        6          -0.003267588   -0.001729970    0.001355848
     43        1           0.000343850    0.002174086    0.000845971
     44        1           0.004569501    0.001380092   -0.001631861
     45        1          -0.002882104    0.002630410    0.000223536
     46        6           0.000085386    0.000067182   -0.000977753
     47        1          -0.000337466   -0.000064212    0.000533096
     48        1           0.000165539    0.000332785    0.000128044
     49        1           0.000042596    0.000050192    0.000020978
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004569501 RMS     0.000938043
 Leave Link  716 at Mon Nov 14 02:28:55 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002540437 RMS     0.000250847
 Search for a local minimum.
 Step number  50 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .25085D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48   50   49
 ITU=  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  0
 Use linear search instead of GDIIS.
 Energy rises -- skip Quadratic/GDIIS search.
 Quartic linear search produced a step of -0.96654.
 Iteration  1 RMS(Cart)=  0.02101723 RMS(Int)=  0.00165254
 Iteration  2 RMS(Cart)=  0.00052926 RMS(Int)=  0.00000731
 Iteration  3 RMS(Cart)=  0.00000270 RMS(Int)=  0.00000683
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000683
 ITry= 1 IFail=0 DXMaxC= 2.49D-01 DCOld= 1.00D+10 DXMaxT= 6.67D-01 DXLimC= 3.00D+00 Rises=T
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.52501   0.00047   0.06542   0.00000   0.06543   6.59044
    R2        6.27548   0.00005  -0.01204   0.00000  -0.01204   6.26344
    R3        7.24786   0.00033   0.01472   0.00000   0.01472   7.26258
    R4        6.33269   0.00071   0.02983   0.00000   0.02983   6.36251
    R5        6.51985   0.00043   0.00668   0.00000   0.00668   6.52653
    R6        5.92790  -0.00005   0.04931   0.00000   0.04931   5.97721
    R7        6.71838  -0.00001  -0.02010   0.00000  -0.02010   6.69827
    R8        6.22656   0.00004   0.00306   0.00000   0.00306   6.22962
    R9        6.65795   0.00004  -0.00175   0.00000  -0.00175   6.65619
   R10        6.06751   0.00002   0.00658   0.00000   0.00658   6.07409
   R11        6.95724   0.00009   0.00507   0.00000   0.00507   6.96231
   R12        6.02966   0.00002   0.00315   0.00000   0.00315   6.03281
   R13        6.85408  -0.00024   0.01555   0.00000   0.01555   6.86963
   R14        6.18189   0.00017   0.01414   0.00000   0.01414   6.19603
   R15        6.86819  -0.00010   0.00914   0.00000   0.00915   6.87734
   R16        5.96867   0.00007  -0.00391   0.00000  -0.00391   5.96477
   R17        6.66789   0.00010   0.01789   0.00000   0.01789   6.68578
   R18        6.81831  -0.00147  -0.14291   0.00000  -0.14290   6.67541
   R19        6.20417  -0.00051   0.00465   0.00000   0.00466   6.20883
   R20        6.50249   0.00116   0.10796   0.00000   0.10802   6.61051
   R21        6.04920   0.00142   0.01126   0.00000   0.01122   6.06042
   R22        6.93207  -0.00077   0.00491   0.00000   0.00491   6.93699
   R23        5.94813  -0.00013   0.02000   0.00000   0.02001   5.96814
   R24        2.35015   0.00044  -0.00027   0.00000  -0.00027   2.34987
   R25        2.57138   0.00019   0.00014   0.00000   0.00013   2.57151
   R26        2.09566  -0.00049  -0.00099   0.00000  -0.00099   2.09467
   R27        2.75815   0.00120   0.00691   0.00000   0.00691   2.76506
   R28        2.76635   0.00053   0.00186   0.00000   0.00186   2.76822
   R29        2.07748  -0.00020  -0.00091   0.00000  -0.00091   2.07657
   R30        2.08310  -0.00019  -0.00044   0.00000  -0.00045   2.08265
   R31        2.08288  -0.00007   0.00014   0.00000   0.00014   2.08302
   R32        2.08102   0.00016   0.00008   0.00000   0.00008   2.08109
   R33        2.07422   0.00005   0.00044   0.00000   0.00044   2.07466
   R34        2.08288   0.00011   0.00063   0.00000   0.00063   2.08351
   R35        2.34841   0.00016   0.00043   0.00000   0.00043   2.34884
   R36        2.57111   0.00002   0.00040   0.00000   0.00040   2.57151
   R37        2.09420  -0.00001  -0.00010   0.00000  -0.00010   2.09410
   R38        2.76821  -0.00004   0.00040   0.00000   0.00040   2.76861
   R39        2.76407   0.00017   0.00085   0.00000   0.00085   2.76492
   R40        2.08112   0.00015   0.00063   0.00000   0.00063   2.08174
   R41        2.08409   0.00000  -0.00008   0.00000  -0.00008   2.08401
   R42        2.07423  -0.00002   0.00009   0.00000   0.00009   2.07432
   R43        2.08317   0.00006   0.00004   0.00000   0.00004   2.08320
   R44        2.08265   0.00009   0.00087   0.00000   0.00086   2.08351
   R45        2.07668  -0.00001  -0.00003   0.00000  -0.00003   2.07665
   R46        2.34914  -0.00076  -0.00057   0.00000  -0.00057   2.34857
   R47        2.57430  -0.00104  -0.00258   0.00000  -0.00258   2.57172
   R48        2.09343   0.00004   0.00006   0.00000   0.00006   2.09349
   R49        2.76789  -0.00030  -0.00308   0.00000  -0.00309   2.76480
   R50        2.77034  -0.00035  -0.00163   0.00000  -0.00163   2.76871
   R51        2.08433  -0.00005   0.00001   0.00000   0.00001   2.08434
   R52        2.08539  -0.00044  -0.00298   0.00000  -0.00300   2.08239
   R53        2.07580   0.00002   0.00026   0.00000   0.00026   2.07606
   R54        2.08514  -0.00002   0.00006   0.00000   0.00006   2.08520
   R55        2.07365   0.00017   0.00013   0.00000   0.00013   2.07378
   R56        2.07786  -0.00007   0.00031   0.00000   0.00031   2.07818
   R57        2.35108  -0.00234  -0.00288   0.00000  -0.00288   2.34820
   R58        2.57851  -0.00254  -0.00637   0.00000  -0.00642   2.57210
   R59        2.09619  -0.00031  -0.00038   0.00000  -0.00038   2.09581
   R60        2.77282   0.00170  -0.00346   0.00000  -0.00349   2.76933
   R61        2.76812  -0.00036  -0.00297   0.00000  -0.00296   2.76515
   R62        2.07707  -0.00045  -0.00217   0.00000  -0.00217   2.07491
   R63        2.08430  -0.00049  -0.00039   0.00000  -0.00039   2.08391
   R64        2.08685  -0.00214  -0.00687   0.00000  -0.00691   2.07994
   R65        2.07545   0.00031   0.00072   0.00000   0.00072   2.07617
   R66        2.08396  -0.00023   0.00017   0.00000   0.00017   2.08413
   R67        2.08325   0.00006  -0.00022   0.00000  -0.00022   2.08303
    A1        0.68102   0.00021  -0.00124   0.00000  -0.00124   0.67978
    A2        0.95782   0.00019  -0.00133   0.00000  -0.00133   0.95649
    A3        0.73223   0.00003  -0.00467   0.00000  -0.00467   0.72755
    A4        1.02475   0.00002  -0.00521   0.00000  -0.00521   1.01954
    A5        2.34567  -0.00012  -0.00418   0.00000  -0.00418   2.34149
    A6        2.02628  -0.00013  -0.00401   0.00000  -0.00402   2.02226
    A7        1.97944  -0.00012  -0.00164   0.00000  -0.00164   1.97780
    A8        1.68612  -0.00014  -0.00189   0.00000  -0.00189   1.68423
    A9        1.65720  -0.00015  -0.00468   0.00000  -0.00469   1.65251
   A10        1.37551  -0.00016  -0.00441   0.00000  -0.00441   1.37109
   A11        1.73441   0.00025  -0.00050   0.00000  -0.00050   1.73391
   A12        2.04076   0.00014  -0.00206   0.00000  -0.00205   2.03871
   A13        1.94575   0.00006  -0.00277   0.00000  -0.00277   1.94298
   A14        2.03447  -0.00003  -0.00622   0.00000  -0.00622   2.02825
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   A16        1.57279   0.00017  -0.01482   0.00000  -0.01482   1.55798
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   A18        1.56434   0.00005  -0.00676   0.00000  -0.00677   1.55758
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   A21        2.41196   0.00008  -0.01582   0.00000  -0.01581   2.39615
   A22        0.64066   0.00014   0.00128   0.00000   0.00128   0.64194
   A23        0.66090   0.00004  -0.00161   0.00000  -0.00161   0.65929
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   A30        1.33933   0.00021   0.00140   0.00000   0.00140   1.34073
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   A244       1.92344  -0.00008  -0.00682   0.00000  -0.00680   1.91664
   A245       1.90490   0.00021   0.00528   0.00000   0.00528   1.91018
   A246       1.90756   0.00004   0.00111   0.00000   0.00111   1.90867
   A247       1.90552  -0.00037  -0.00659   0.00000  -0.00660   1.89892
   A248       1.30185   0.00019  -0.02024   0.00000  -0.02024   1.28161
   A249       1.90747  -0.00025  -0.00241   0.00000  -0.00242   1.90505
   A250       1.90901  -0.00002   0.00050   0.00000   0.00052   1.90952
   A251       1.92270   0.00032   0.00473   0.00000   0.00472   1.92743
   A252       1.91385   0.00009  -0.00296   0.00000  -0.00297   1.91088
   A253       1.89485   0.00004   0.00305   0.00000   0.00306   1.89791
   A254       1.91587  -0.00019  -0.00294   0.00000  -0.00294   1.91293
   A255       1.72771  -0.00004  -0.00784   0.00000  -0.00784   1.71987
   A256       1.76804  -0.00003   0.00005   0.00000   0.00005   1.76809
   A257       2.19135  -0.00002  -0.00060   0.00000  -0.00060   2.19075
   A258       2.12977   0.00002   0.00024   0.00000   0.00024   2.13001
   A259       1.96187   0.00000   0.00035   0.00000   0.00035   1.96222
   A260       2.12551  -0.00001  -0.00066   0.00000  -0.00066   2.12485
   A261       2.12202   0.00003   0.00120   0.00000   0.00121   2.12323
   A262       2.03558  -0.00002  -0.00076   0.00000  -0.00076   2.03482
   A263       1.35604  -0.00001  -0.00656   0.00000  -0.00656   1.34949
   A264       1.90110  -0.00003  -0.00065   0.00000  -0.00065   1.90045
   A265       1.93097   0.00002   0.00034   0.00000   0.00034   1.93131
   A266       1.91109  -0.00001  -0.00100   0.00000  -0.00100   1.91008
   A267       1.89678   0.00001   0.00053   0.00000   0.00053   1.89731
   A268       1.91181   0.00003   0.00126   0.00000   0.00126   1.91307
   A269       1.91193  -0.00002  -0.00044   0.00000  -0.00044   1.91149
   A270       2.66781   0.00002  -0.00258   0.00000  -0.00258   2.66523
   A271       1.69579  -0.00002   0.00244   0.00000   0.00244   1.69823
   A272       1.92381   0.00003   0.00073   0.00000   0.00073   1.92453
   A273       1.91269  -0.00003   0.00031   0.00000   0.00031   1.91300
   A274       1.91377  -0.00002  -0.00026   0.00000  -0.00026   1.91351
   A275       1.89527   0.00001  -0.00086   0.00000  -0.00086   1.89440
   A276       1.91101   0.00000   0.00000   0.00000   0.00000   1.91101
   A277       1.90711   0.00002   0.00007   0.00000   0.00007   1.90719
   A278       1.79636  -0.00010   0.00359   0.00000   0.00359   1.79995
   A279       1.75757  -0.00003  -0.00072   0.00000  -0.00072   1.75685
   A280       2.19431  -0.00029  -0.00457   0.00000  -0.00457   2.18974
   A281       2.12700   0.00017   0.00346   0.00000   0.00347   2.13047
   A282       1.96171   0.00012   0.00119   0.00000   0.00119   1.96290
   A283       2.12441  -0.00023  -0.00153   0.00000  -0.00154   2.12288
   A284       2.11762  -0.00005  -0.00168   0.00000  -0.00168   2.11594
   A285       2.03866   0.00028   0.00301   0.00000   0.00301   2.04167
   A286       2.70558  -0.00008  -0.01163   0.00000  -0.01163   2.69395
   A287       1.65498   0.00011   0.01049   0.00000   0.01049   1.66547
   A288       1.92605  -0.00015  -0.00010   0.00000  -0.00010   1.92595
   A289       1.91423   0.00011   0.00120   0.00000   0.00119   1.91543
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   A291       1.89340  -0.00003  -0.00250   0.00000  -0.00249   1.89090
   A292       1.91291  -0.00003  -0.00013   0.00000  -0.00012   1.91278
   A293       1.90727  -0.00006  -0.00117   0.00000  -0.00117   1.90610
   A294       1.34337   0.00006   0.01205   0.00000   0.01205   1.35542
   A295       1.15972  -0.00008  -0.00967   0.00000  -0.00967   1.15005
   A296       1.93331  -0.00010  -0.00126   0.00000  -0.00127   1.93204
   A297       1.90605   0.00020   0.00096   0.00000   0.00096   1.90701
   A298       1.90183  -0.00015   0.00046   0.00000   0.00046   1.90230
   A299       1.90899   0.00000   0.00076   0.00000   0.00076   1.90975
   A300       1.89813   0.00006  -0.00031   0.00000  -0.00031   1.89782
   A301       1.91547  -0.00001  -0.00063   0.00000  -0.00063   1.91485
   A302       1.72783   0.00010  -0.01644   0.00000  -0.01643   1.71139
   A303       1.80901  -0.00024  -0.03444   0.00000  -0.03444   1.77457
   A304       2.19065   0.00021   0.00075   0.00000   0.00075   2.19139
   A305       2.12799   0.00013   0.00222   0.00000   0.00226   2.13026
   A306       1.96427  -0.00033  -0.00298   0.00000  -0.00301   1.96126
   A307       2.11967  -0.00016   0.00378   0.00000   0.00373   2.12341
   A308       2.11958   0.00036   0.00287   0.00000   0.00289   2.12246
   A309       2.04383  -0.00020  -0.00732   0.00000  -0.00728   2.03654
   A310       1.23115   0.00136   0.09385   0.00000   0.09386   1.32501
   A311       3.12355  -0.00066  -0.09211   0.00000  -0.09213   3.03142
   A312       1.89878   0.00043   0.00994   0.00000   0.00993   1.90871
   A313       1.89508   0.00065   0.03589   0.00000   0.03589   1.93097
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   A315       1.92608  -0.00079  -0.01432   0.00000  -0.01431   1.91177
   A316       1.91047   0.00064   0.00083   0.00000   0.00083   1.91130
   A317       1.93410  -0.00068  -0.03520   0.00000  -0.03522   1.89888
   A318       1.73627   0.00011  -0.00462   0.00000  -0.00463   1.73165
   A319       1.90991  -0.00008   0.00377   0.00000   0.00377   1.91368
   A320       1.91440   0.00021   0.00038   0.00000   0.00038   1.91478
   A321       1.92828  -0.00013  -0.00423   0.00000  -0.00424   1.92404
   A322       1.90121   0.00033   0.00417   0.00000   0.00416   1.90538
   A323       1.91343  -0.00013  -0.00240   0.00000  -0.00240   1.91103
   A324       1.89635  -0.00020  -0.00163   0.00000  -0.00163   1.89472
   A325       2.93726   0.00007  -0.00297   0.00000  -0.00297   2.93428
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   A328       3.21772   0.00000  -0.02317   0.00000  -0.02318   3.19454
   A329       3.26797  -0.00004  -0.00700   0.00000  -0.00700   3.26097
   A330       3.25236   0.00007   0.01281   0.00000   0.01281   3.26517
   A331       3.64971  -0.00002  -0.00702   0.00000  -0.00703   3.64268
   A332       3.19698   0.00004   0.01434   0.00000   0.01434   3.21132
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   A334       2.92518  -0.00029   0.01005   0.00000   0.01006   2.93524
   A335       3.24271   0.00020  -0.01445   0.00000  -0.01444   3.22827
   A336       3.07741  -0.00001   0.00152   0.00000   0.00152   3.07893
   A337       3.10629   0.00001  -0.00455   0.00000  -0.00455   3.10174
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    D4       -1.34859   0.00009   0.00944   0.00000   0.00945  -1.33915
    D5        1.67907   0.00004  -0.01504   0.00000  -0.01503   1.66404
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    D7        1.85692   0.00004  -0.01128   0.00000  -0.01127   1.84564
    D8       -2.27823   0.00006   0.00353   0.00000   0.00353  -2.27470
    D9        0.34197  -0.00005  -0.01780   0.00000  -0.01780   0.32418
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   D11        0.05883  -0.00001  -0.01990   0.00000  -0.01989   0.03893
   D12        2.20687   0.00001  -0.00509   0.00000  -0.00509   2.20178
   D13       -0.41043   0.00002  -0.01970   0.00000  -0.01970  -0.43013
   D14        1.73761   0.00004  -0.00490   0.00000  -0.00489   1.73272
   D15       -0.53065   0.00001  -0.02001   0.00000  -0.02001  -0.55067
   D16        1.61738   0.00003  -0.00521   0.00000  -0.00521   1.61218
   D17        0.24022  -0.00001  -0.02211   0.00000  -0.02211   0.21812
   D18        2.38826   0.00001  -0.00730   0.00000  -0.00730   2.38096
   D19        0.17578  -0.00002  -0.02251   0.00000  -0.02251   0.15327
   D20        2.32382   0.00001  -0.00771   0.00000  -0.00771   2.31611
   D21        2.42711  -0.00016  -0.02115   0.00000  -0.02115   2.40596
   D22       -1.70804  -0.00014  -0.00635   0.00000  -0.00635  -1.71439
   D23        2.18192  -0.00006  -0.02082   0.00000  -0.02082   2.16110
   D24       -1.95323  -0.00004  -0.00601   0.00000  -0.00601  -1.95924
   D25        1.73870  -0.00002  -0.01895   0.00000  -0.01895   1.71975
   D26       -2.39645   0.00000  -0.00415   0.00000  -0.00414  -2.40059
   D27        1.43040   0.00002  -0.01763   0.00000  -0.01763   1.41277
   D28       -2.70475   0.00004  -0.00283   0.00000  -0.00282  -2.70757
   D29        2.39236  -0.00003  -0.02242   0.00000  -0.02242   2.36994
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   D32        0.39814  -0.00018  -0.01493   0.00000  -0.01493   0.38322
   D33       -2.08048   0.00014  -0.03730   0.00000  -0.03731  -2.11779
   D34        0.06756   0.00016  -0.02250   0.00000  -0.02251   0.04505
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   D36       -0.31650  -0.00007  -0.01784   0.00000  -0.01784  -0.33433
   D37       -2.74941   0.00028  -0.03256   0.00000  -0.03256  -2.78197
   D38       -0.60137   0.00030  -0.01775   0.00000  -0.01776  -0.61913
   D39       -2.08815   0.00013  -0.03840   0.00000  -0.03840  -2.12656
   D40        0.05989   0.00015  -0.02360   0.00000  -0.02360   0.03629
   D41       -2.33254   0.00000  -0.04075   0.00000  -0.04076  -2.37330
   D42       -0.18450   0.00002  -0.02595   0.00000  -0.02595  -0.21045
   D43        1.26893   0.00018  -0.00609   0.00000  -0.00609   1.26285
   D44       -1.93611   0.00016   0.01374   0.00000   0.01374  -1.92237
   D45        2.47273  -0.00008  -0.01377   0.00000  -0.01377   2.45896
   D46       -0.73231  -0.00010   0.00605   0.00000   0.00606  -0.72626
   D47        2.95707  -0.00012  -0.01164   0.00000  -0.01163   2.94543
   D48       -0.24797  -0.00014   0.00818   0.00000   0.00819  -0.23979
   D49        2.88512   0.00019  -0.02215   0.00000  -0.02215   2.86297
   D50       -0.31992   0.00018  -0.00232   0.00000  -0.00232  -0.32225
   D51        2.08038   0.00004  -0.02660   0.00000  -0.02660   2.05378
   D52       -1.12466   0.00003  -0.00678   0.00000  -0.00678  -1.13144
   D53        1.19469  -0.00010  -0.02519   0.00000  -0.02520   1.16949
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   D55        1.04649  -0.00005  -0.01959   0.00000  -0.01959   1.02690
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   D57        2.04967   0.00002  -0.02275   0.00000  -0.02276   2.02691
   D58       -1.15537   0.00000  -0.00293   0.00000  -0.00293  -1.15831
   D59        1.85400  -0.00001  -0.02063   0.00000  -0.02063   1.83337
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   D62        0.82443  -0.00015   0.00161   0.00000   0.00161   0.82604
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   D72        2.92638  -0.00025   0.00745   0.00000   0.00745   2.93384
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   D78        2.01619   0.00039   0.00390   0.00000   0.00390   2.02008
   D79       -0.81640   0.00001  -0.01489   0.00000  -0.01489  -0.83129
   D80        2.26174  -0.00001   0.00493   0.00000   0.00493   2.26668
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   D82        1.95287  -0.00005   0.00744   0.00000   0.00745   1.96032
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   D84       -2.59725  -0.00014  -0.01219   0.00000  -0.01219  -2.60944
   D85       -2.94130  -0.00007  -0.00731   0.00000  -0.00730  -2.94861
   D86        0.75184  -0.00004  -0.01729   0.00000  -0.01729   0.73456
   D87        0.33064  -0.00003  -0.01896   0.00000  -0.01896   0.31168
   D88       -0.04355   0.00000  -0.01956   0.00000  -0.01956  -0.06312
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   D92        2.42207  -0.00021  -0.01760   0.00000  -0.01760   2.40447
   D93        2.07074  -0.00004  -0.01556   0.00000  -0.01556   2.05518
   D94        1.67739   0.00004  -0.01476   0.00000  -0.01475   1.66264
   D95        1.38903   0.00007  -0.01408   0.00000  -0.01407   1.37495
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   D98       -2.41783   0.00011  -0.02356   0.00000  -0.02358  -2.44141
   D99       -2.64625  -0.00006  -0.01997   0.00000  -0.01997  -2.66622
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   D102       2.85172  -0.00010   0.01212   0.00000   0.01215   2.86386
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   D104       1.20106   0.00009  -0.00440   0.00000  -0.00440   1.19667
   D105       2.81233   0.00013  -0.00064   0.00000  -0.00064   2.81169
   D106       0.62385   0.00013   0.00187   0.00000   0.00186   0.62571
   D107       2.31318  -0.00018   0.00229   0.00000   0.00229   2.31547
   D108       0.12470  -0.00017   0.00480   0.00000   0.00480   0.12950
   D109       1.76600  -0.00012  -0.00729   0.00000  -0.00730   1.75871
   D110      -0.42248  -0.00012  -0.00479   0.00000  -0.00479  -0.42727
   D111       2.59587   0.00005  -0.00295   0.00000  -0.00295   2.59292
   D112       0.40739   0.00006  -0.00045   0.00000  -0.00045   0.40695
   D113       2.26137   0.00005  -0.00523   0.00000  -0.00524   2.25613
   D114       0.07289   0.00005  -0.00273   0.00000  -0.00273   0.07016
   D115      -1.60940   0.00001  -0.00237   0.00000  -0.00237  -1.61177
   D116       2.48531   0.00001   0.00013   0.00000   0.00013   2.48544
   D117      -1.76960  -0.00001  -0.00398   0.00000  -0.00398  -1.77358
   D118       2.32511  -0.00001  -0.00148   0.00000  -0.00148   2.32363
   D119      -2.73481   0.00001  -0.00028   0.00000  -0.00028  -2.73509
   D120       1.35989   0.00002   0.00223   0.00000   0.00223   1.36212
   D121      -2.69721   0.00003  -0.00162   0.00000  -0.00162  -2.69883
   D122       1.39749   0.00003   0.00089   0.00000   0.00089   1.39838
   D123       1.33074   0.00003  -0.00308   0.00000  -0.00308   1.32767
   D124      -0.85774   0.00003  -0.00057   0.00000  -0.00057  -0.85831
   D125       1.30109  -0.00002  -0.00404   0.00000  -0.00404   1.29704
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   D349       0.87691   0.00002   0.00404   0.00000   0.00404   0.88095
   D350       1.80097   0.00018  -0.00062   0.00000  -0.00062   1.80035
   D351      -2.28109   0.00028  -0.01638   0.00000  -0.01639  -2.29749
   D352       2.23213   0.00001  -0.00701   0.00000  -0.00701   2.22512
   D353      -1.84993   0.00011  -0.02278   0.00000  -0.02279  -1.87272
   D354       2.47072  -0.00015  -0.02730   0.00000  -0.02729   2.44343
   D355      -1.61135  -0.00005  -0.04307   0.00000  -0.04306  -1.65441
   D356       3.10406  -0.00061  -0.01940   0.00000  -0.01936   3.08470
   D357      -0.97801  -0.00051  -0.03517   0.00000  -0.03513  -1.01314
   D358       2.56026  -0.00016   0.00064   0.00000   0.00064   2.56090
   D359      -1.52181  -0.00006  -0.01513   0.00000  -0.01513  -1.53694
   D360       1.59804  -0.00032   0.01598   0.00000   0.01598   1.61402
   D361      -2.48403  -0.00022   0.00022   0.00000   0.00021  -2.48382
   D362       1.79200  -0.00042  -0.01036   0.00000  -0.01035   1.78166
   D363      -2.29006  -0.00032  -0.02612   0.00000  -0.02612  -2.31618
   D364       2.74330   0.00015  -0.00343   0.00000  -0.00344   2.73986
   D365      -1.33877   0.00025  -0.01920   0.00000  -0.01921  -1.35798
   D366       2.72313  -0.00007  -0.00564   0.00000  -0.00564   2.71748
   D367      -1.35894   0.00003  -0.02141   0.00000  -0.02142  -1.38036
   D368       0.02549  -0.00022   0.01459   0.00000   0.01459   0.04008
   D369      -2.59610  -0.00008   0.01431   0.00000   0.01431  -2.58180
   D370       0.42809  -0.00021   0.01166   0.00000   0.01167   0.43976
   D371      -2.19350  -0.00007   0.01139   0.00000   0.01139  -2.18211
   D372       0.63941  -0.00009   0.00848   0.00000   0.00848   0.64790
   D373      -1.98218   0.00005   0.00820   0.00000   0.00821  -1.97398
   D374       0.91215  -0.00009   0.00762   0.00000   0.00762   0.91977
   D375      -1.70945   0.00005   0.00734   0.00000   0.00734  -1.70210
   D376       0.67222  -0.00014   0.01395   0.00000   0.01395   0.68617
   D377      -1.94937   0.00000   0.01367   0.00000   0.01367  -1.93570
   D378       1.01298  -0.00016   0.01146   0.00000   0.01146   1.02443
   D379      -1.60862  -0.00001   0.01118   0.00000   0.01118  -1.59744
   D380      -2.79019  -0.00019   0.00604   0.00000   0.00604  -2.78415
   D381       0.87140  -0.00005   0.00576   0.00000   0.00576   0.87716
   D382      -2.24164  -0.00015   0.01654   0.00000   0.01654  -2.22510
   D383       1.41995  -0.00001   0.01626   0.00000   0.01626   1.43621
   D384      -1.99739  -0.00013   0.01672   0.00000   0.01672  -1.98067
   D385       1.66420   0.00001   0.01644   0.00000   0.01644   1.68064
   D386      -1.66617  -0.00009   0.01875   0.00000   0.01875  -1.64742
   D387       1.99542   0.00005   0.01847   0.00000   0.01847   2.01389
   D388      -1.73394  -0.00001   0.03587   0.00000   0.03587  -1.69808
   D389       1.92765   0.00013   0.03559   0.00000   0.03559   1.96323
   D390      -1.14479   0.00005   0.04009   0.00000   0.04009  -1.10469
   D391       2.51680   0.00019   0.03981   0.00000   0.03981   2.55662
   D392       1.76365   0.00002   0.01576   0.00000   0.01576   1.77942
   D393      -0.85794   0.00016   0.01548   0.00000   0.01548  -0.84246
   D394       2.06679  -0.00008   0.01199   0.00000   0.01199   2.07877
   D395      -0.55481   0.00006   0.01171   0.00000   0.01171  -0.54310
   D396       2.01676  -0.00014   0.00574   0.00000   0.00573   2.02249
   D397      -0.60484   0.00000   0.00546   0.00000   0.00545  -0.59938
   D398       2.22298  -0.00027  -0.00498   0.00000  -0.00499   2.21799
   D399      -0.39862  -0.00013  -0.00526   0.00000  -0.00527  -0.40389
   D400       2.46806  -0.00015   0.01252   0.00000   0.01252   2.48058
   D401      -0.15353  -0.00001   0.01224   0.00000   0.01224  -0.14129
   D402      -1.55579  -0.00042   0.02942   0.00000   0.02942  -1.52636
   D403       2.10580  -0.00028   0.02914   0.00000   0.02914   2.13495
   D404      -2.64239  -0.00005   0.01636   0.00000   0.01635  -2.62604
   D405       1.01920   0.00009   0.01608   0.00000   0.01607   1.03527
   D406      -2.99960  -0.00015   0.01032   0.00000   0.01032  -2.98928
   D407       0.66199  -0.00001   0.01004   0.00000   0.01004   0.67203
   D408       1.88754  -0.00011   0.00920   0.00000   0.00920   1.89674
   D409       2.38740  -0.00006   0.00104   0.00000   0.00105   2.38845
   D410       2.62509   0.00010  -0.00501   0.00000  -0.00501   2.62008
   D411       2.86406   0.00009  -0.00993   0.00000  -0.00993   2.85413
   D412       2.81735   0.00007  -0.01153   0.00000  -0.01154   2.80580
   D413      -2.95332   0.00009  -0.02645   0.00000  -0.02647  -2.97979
   D414      -0.76835   0.00006  -0.00084   0.00000  -0.00083  -0.76918
   D415      -0.38925   0.00006   0.00141   0.00000   0.00141  -0.38783
   D416      -0.07845   0.00006  -0.00106   0.00000  -0.00106  -0.07951
   D417       0.23025   0.00007  -0.00062   0.00000  -0.00062   0.22963
   D418      -0.25630   0.00007   0.00597   0.00000   0.00597  -0.25032
   D419       0.05141   0.00008   0.01232   0.00000   0.01232   0.06372
   D420      -2.57711   0.00026  -0.00205   0.00000  -0.00205  -2.57916
   D421      -2.19266   0.00011  -0.00333   0.00000  -0.00333  -2.19599
   D422      -1.94239   0.00007  -0.01208   0.00000  -0.01208  -1.95446
   D423      -1.62503  -0.00001  -0.01479   0.00000  -0.01478  -1.63981
   D424      -1.98209  -0.00003   0.00338   0.00000   0.00338  -1.97871
   D425       1.34062   0.00030  -0.00144   0.00000  -0.00145   1.33917
   D426       2.48160   0.00015   0.00521   0.00000   0.00521   2.48681
   D427       2.96473  -0.00050  -0.00979   0.00000  -0.00977   2.95495
   D428      -3.00743  -0.00082  -0.06221   0.00000  -0.06221  -3.06964
   D429       0.03501  -0.00068  -0.00316   0.00000  -0.00316   0.03185
   D430       0.09077   0.00022  -0.04791   0.00000  -0.04791   0.04286
   D431       3.13321   0.00036   0.01114   0.00000   0.01114  -3.13883
   D432      -0.09922  -0.00016   0.01901   0.00000   0.01901  -0.08021
   D433       1.98877   0.00021   0.02983   0.00000   0.02983   2.01860
   D434      -2.19913  -0.00020   0.02132   0.00000   0.02131  -2.17783
   D435       3.13613  -0.00030  -0.03671   0.00000  -0.03670   3.09943
   D436      -1.05906   0.00008  -0.02588   0.00000  -0.02588  -1.08494
   D437       1.03622  -0.00034  -0.03440   0.00000  -0.03440   1.00181
   D438      -2.30297  -0.00007  -0.06554   0.00000  -0.06554  -2.36851
   D439      -0.20757  -0.00012  -0.07032   0.00000  -0.07032  -0.27789
   D440       1.89974  -0.00016  -0.07066   0.00000  -0.07066   1.82908
   D441       0.74429   0.00009  -0.00931   0.00000  -0.00931   0.73498
   D442       2.83969   0.00004  -0.01409   0.00000  -0.01409   2.82560
   D443      -1.33618   0.00000  -0.01443   0.00000  -0.01443  -1.35062
   D444      -0.00590  -0.00002   0.00440   0.00000   0.00440  -0.00150
   D445       3.12239  -0.00005  -0.00874   0.00000  -0.00874   3.11365
   D446      -3.12661   0.00004   0.00492   0.00000   0.00492  -3.12169
   D447       0.00168   0.00001  -0.00822   0.00000  -0.00822  -0.00654
   D448       2.43129   0.00000  -0.00553   0.00000  -0.00553   2.42576
   D449      -1.76800   0.00001  -0.00509   0.00000  -0.00509  -1.77309
   D450       0.34098  -0.00001  -0.00608   0.00000  -0.00608   0.33490
   D451      -0.69762   0.00003   0.00696   0.00000   0.00696  -0.69066
   D452       1.38627   0.00004   0.00740   0.00000   0.00740   1.39367
   D453      -2.78793   0.00002   0.00641   0.00000   0.00641  -2.78152
   D454       2.04700   0.00002   0.01392   0.00000   0.01392   2.06092
   D455      -2.15130   0.00003   0.01350   0.00000   0.01350  -2.13780
   D456      -0.05803   0.00002   0.01362   0.00000   0.01362  -0.04441
   D457      -1.10725  -0.00001   0.00143   0.00000   0.00143  -1.10582
   D458       0.97764   0.00000   0.00101   0.00000   0.00101   0.97865
   D459       3.07091  -0.00001   0.00113   0.00000   0.00113   3.07204
   D460      -3.09775   0.00004   0.00660   0.00000   0.00660  -3.09114
   D461      -0.03438   0.00007   0.00359   0.00000   0.00359  -0.03079
   D462       0.06281  -0.00003   0.00110   0.00000   0.00110   0.06390
   D463       3.12618  -0.00001  -0.00191   0.00000  -0.00191   3.12426
   D464       1.93144   0.00008   0.01222   0.00000   0.01222   1.94367
   D465      -2.26680   0.00002   0.00984   0.00000   0.00984  -2.25697
   D466      -0.17482   0.00011   0.01076   0.00000   0.01075  -0.16407
   D467      -1.13529   0.00007   0.01530   0.00000   0.01530  -1.11999
   D468       0.94964   0.00001   0.01292   0.00000   0.01291   0.96256
   D469       3.04163   0.00009   0.01383   0.00000   0.01383   3.05546
   D470      -1.63940   0.00000  -0.01126   0.00000  -0.01126  -1.65066
   D471       0.46416   0.00007  -0.01049   0.00000  -0.01049   0.45366
   D472       2.55636   0.00008  -0.01040   0.00000  -0.01040   2.54595
   D473       1.42765   0.00000  -0.01432   0.00000  -0.01432   1.41333
   D474      -2.75198   0.00007  -0.01355   0.00000  -0.01355  -2.76553
   D475      -0.65978   0.00009  -0.01346   0.00000  -0.01346  -0.67324
   D476       0.00861   0.00026  -0.00897   0.00000  -0.00896  -0.00036
   D477      -3.11648  -0.00023   0.01820   0.00000   0.01819  -3.09828
   D478       3.12524   0.00048  -0.00896   0.00000  -0.00894   3.11630
   D479       0.00016  -0.00001   0.01821   0.00000   0.01821   0.01837
   D480      -0.48693   0.00072   0.13577   0.00000   0.13577  -0.35116
   D481       1.60982   0.00040   0.14629   0.00000   0.14627   1.75609
   D482      -2.56696  -0.00018   0.12697   0.00000   0.12695  -2.44001
   D483       2.63884   0.00120   0.10997   0.00000   0.10997   2.74881
   D484      -1.54760   0.00087   0.12049   0.00000   0.12047  -1.42713
   D485       0.55881   0.00030   0.10116   0.00000   0.10115   0.65996
   D486       0.06515  -0.00015  -0.06382   0.00000  -0.06382   0.00133
   D487       2.14987   0.00033  -0.05616   0.00000  -0.05617   2.09370
   D488      -2.04323   0.00014  -0.06058   0.00000  -0.06058  -2.10381
   D489      -3.06062  -0.00062  -0.03805   0.00000  -0.03805  -3.09867
   D490      -0.97591  -0.00014  -0.03039   0.00000  -0.03039  -1.00630
   D491       1.11418  -0.00033  -0.03480   0.00000  -0.03481   1.07938
         Item               Value     Threshold  Converged?
 Maximum Force            0.002540     0.000450     NO 
 RMS     Force            0.000251     0.000300     YES
 Maximum Displacement     0.249438     0.001800     NO 
 RMS     Displacement     0.020946     0.001200     NO 
 Predicted change in Energy=-8.933823D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:28:56 2016, MaxMem=  2952790016 cpu:         5.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.834257   -0.607154    1.681689
      2          6           0       -2.099519    1.101124   -1.347197
      3          8           0       -2.648444    0.116474   -1.872014
      4          7           0       -0.805246    1.154643   -0.930380
      5          1           0       -2.650291    2.041189   -1.143247
      6          6           0       -0.267214    2.328095   -0.241536
      7          1           0       -1.028113    3.120355   -0.211949
      8          1           0        0.020221    2.056845    0.787253
      9          1           0        0.624521    2.697615   -0.773797
     10          6           0        0.109406    0.023447   -1.102639
     11          1           0        0.681642   -0.123257   -0.173222
     12          1           0       -0.469116   -0.883113   -1.323466
     13          1           0        0.815552    0.221323   -1.925933
     14          6           0       -1.983812   -4.024600    2.610507
     15          8           0       -2.106128   -3.876947    3.838581
     16          7           0       -2.927350   -3.717225    1.679382
     17          1           0       -1.051764   -4.414434    2.155194
     18          6           0       -4.229844   -3.162093    2.055961
     19          1           0       -4.500302   -2.369804    1.339947
     20          1           0       -5.007910   -3.943192    2.029751
     21          1           0       -4.168297   -2.739489    3.067161
     22          6           0       -2.679944   -3.894094    0.248205
     23          1           0       -3.388103   -4.625764   -0.174193
     24          1           0       -2.817397   -2.932117   -0.272678
     25          1           0       -1.651101   -4.247306    0.092179
     26          6           0        1.535371    0.380003    2.623067
     27          8           0        1.349121    1.395265    3.315261
     28          7           0        1.170463   -0.885937    2.964056
     29          1           0        2.020524    0.427285    1.628243
     30          6           0        1.486993   -2.031784    2.111171
     31          1           0        2.236474   -2.677509    2.598913
     32          1           0        0.577026   -2.628061    1.935902
     33          1           0        1.877678   -1.676724    1.147727
     34          6           0        0.531412   -1.171773    4.251122
     35          1           0        1.281783   -1.479642    4.999281
     36          1           0        0.011250   -0.272504    4.604709
     37          1           0       -0.191142   -1.990068    4.118070
     38          6           0       -4.606028    1.213250    2.898987
     39          8           0       -4.860651    1.854527    1.865536
     40          7           0       -3.509516    1.384711    3.686922
     41          1           0       -5.265576    0.400035    3.264607
     42          6           0       -2.485472    2.384898    3.372985
     43          1           0       -2.555872    2.657171    2.311619
     44          1           0       -2.618876    3.286009    3.994493
     45          1           0       -1.492332    1.956800    3.577554
     46          6           0       -3.268292    0.542853    4.859188
     47          1           0       -4.080494   -0.189944    4.961131
     48          1           0       -2.310731    0.008264    4.742486
     49          1           0       -3.215534    1.162484    5.769310
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487510   0.000000
     3  O    3.716900   1.243498   0.000000
     4  N    3.314468   1.360787   2.315566   0.000000
     5  H    3.957259   1.108453   2.058065   2.058025   0.000000
     6  C    3.843190   2.466837   3.635929   1.463208   2.564069
     7  H    4.257941   2.552252   3.795338   2.104719   2.159485
     8  H    3.366897   3.156355   4.237749   2.108466   3.295256
     9  H    4.795467   3.209044   4.310530   2.109388   3.360324
    10  C    3.453689   2.469928   2.864669   1.464877   3.418897
    11  H    3.163005   3.257634   3.746042   2.101702   4.089933
    12  H    3.312208   2.568263   2.459583   2.102368   3.652609
    13  H    4.552230   3.099455   3.466001   2.118772   3.992064
    14  C    3.544574   6.476871   6.138666   6.383687   7.164403
    15  O    3.926531   7.188430   6.989450   7.053523   7.754938
    16  N    3.296574   5.749954   5.233302   5.920243   6.418983
    17  H    3.915596   6.617093   6.268725   6.371511   7.423616
    18  C    3.522305   5.856175   5.355261   6.267401   6.309047
    19  H    3.214268   5.003183   4.464039   5.588340   5.389402
    20  H    4.617615   6.731096   6.105059   7.239660   7.172107
    21  H    3.451685   6.206183   5.904399   6.515728   6.548799
    22  C    3.684296   5.275832   4.536626   5.513011   6.096278
    23  H    4.691265   5.986121   5.091023   6.376212   6.777293
    24  H    3.192424   4.235207   3.446785   4.602492   5.051692
    25  H    3.976280   5.556851   4.888284   5.562567   6.486126
    26  C    3.635253   5.430970   6.146503   4.324990   5.870641
    27  O    4.100261   5.806733   6.672605   4.767040   6.024186
    28  N    3.278800   5.764381   6.243112   4.820168   6.327414
    29  H    3.991524   5.126602   5.843600   3.880796   5.665894
    30  C    3.639331   5.885447   6.130466   4.965753   6.655634
    31  H    4.658168   6.975004   7.187346   6.032691   7.755665
    32  H    3.156418   5.643531   5.695292   4.943187   6.457447
    33  H    3.899688   5.455198   5.728889   4.419644   6.290783
    34  C    3.537962   6.590071   7.018822   5.834966   7.038862
    35  H    4.634367   7.640113   8.075207   6.815866   8.098649
    36  H    3.473029   6.462768   7.012361   5.774134   6.743587
    37  H    3.247804   6.562508   6.808594   5.979396   7.069647
    38  C    3.532477   4.932062   5.272333   5.395686   4.566185
    39  O    3.905474   4.302688   4.678031   4.975269   3.738090
    40  N    3.285571   5.235539   5.766424   5.355884   4.949724
    41  H    3.910755   5.637746   5.771885   6.169432   5.381662
    42  C    3.498133   4.906847   5.716845   4.780757   4.532290
    43  H    3.401963   4.002058   4.895559   3.979050   3.510619
    44  H    4.595803   5.794575   6.668038   5.664482   5.286487
    45  H    3.207035   5.035278   5.866957   4.630012   4.861477
    46  C    3.670895   6.340103   6.773115   6.321391   6.217408
    47  H    3.996797   6.736922   6.988314   6.873505   6.654839
    48  H    3.158203   6.190573   6.624000   5.980141   6.236181
    49  H    4.663495   7.203743   7.733405   7.120070   6.991071
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098871   0.000000
     8  H    1.102090   1.796793   0.000000
     9  H    1.102288   1.795991   1.792385   0.000000
    10  C    2.488925   3.417326   2.777472   2.743111   0.000000
    11  H    2.629472   3.666849   2.472415   2.884661   1.101268
    12  H    3.394584   4.192339   3.652114   3.784150   1.097863
    13  H    2.906556   3.839431   3.370915   2.737870   1.102547
    14  C    7.172001   7.741447   6.657655   7.965243   5.878409
    15  O    7.650589   8.156663   7.002988   8.482649   6.673628
    16  N    6.878383   7.344164   6.544001   7.732014   5.563645
    17  H    7.198718   7.897910   6.700587   7.872113   5.626418
    18  C    7.150042   7.407001   6.849086   8.118409   6.241274
    19  H    6.518464   6.678797   6.351049   7.510690   5.739624
    20  H    8.183031   8.411760   7.926307   9.147922   7.192567
    21  H    7.200440   7.412901   6.763615   8.202815   6.581777
    22  C    6.691543   7.220996   6.557067   7.444098   4.995235
    23  H    7.622378   8.097738   7.562957   8.372130   5.891498
    24  H    5.845874   6.311707   5.836546   6.617538   4.241505
    25  H    6.727735   7.400206   6.558869   7.359368   4.771405
    26  C    3.905167   4.703009   2.911647   4.211847   4.005171
    27  O    4.016655   4.590032   2.931636   4.352190   4.789219
    28  N    4.761590   5.565170   3.836859   5.206865   4.300096
    29  H    3.513246   4.464652   2.713658   3.587898   3.357555
    30  C    5.255570   6.186048   4.541042   5.606613   4.055896
    31  H    6.276359   7.223137   5.532449   6.547176   5.051838
    32  H    5.478819   6.343029   4.855694   5.975579   4.059789
    33  H    4.750705   5.770989   4.185645   4.939382   3.328891
    34  C    5.750727   6.385412   4.762738   6.342763   5.501763
    35  H    6.660662   7.324788   5.642646   7.156109   6.392743
    36  H    5.506972   5.982638   4.472014   6.174628   5.715858
    37  H    6.136651   6.750260   5.245618   6.824224   5.603603
    38  C    5.470929   5.110426   5.154925   6.561351   6.297933
    39  O    5.075794   4.539451   5.002653   6.145241   6.071605
    40  N    5.180278   4.936702   4.617239   6.221897   6.155447
    41  H    6.402662   6.119043   6.068110   7.502055   6.935783
    42  C    4.241303   3.939105   3.615539   5.192846   5.686919
    43  H    3.444538   2.986131   3.052923   4.431289   5.069256
    44  H    4.938811   4.500236   4.331520   5.796760   6.638417
    45  H    4.027930   3.991202   3.175469   4.895317   5.311085
    46  C    6.181500   6.113783   5.448590   7.178266   6.871826
    47  H    6.924548   6.858271   6.267789   7.960186   7.373609
    48  H    5.864986   5.989713   5.027315   6.802772   6.326356
    49  H    6.795698   6.662847   6.007569   7.740472   7.718569
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795741   0.000000
    13  H    1.791274   1.798087   0.000000
    14  C    5.484001   5.257317   6.814953   0.000000
    15  O    6.160878   6.187857   7.652559   1.242951   0.000000
    16  N    5.419739   4.805434   6.520718   1.360785   2.315612
    17  H    5.180774   4.991070   6.452341   1.108149   2.057758
    18  C    6.190838   5.545931   7.263539   2.469028   2.863376
    19  H    5.847153   5.055144   6.755606   3.268852   3.774483
    20  H    7.198333   6.419408   8.179446   3.080434   3.420029
    21  H    6.392704   6.033878   7.650892   2.575271   2.478194
    22  C    5.069228   4.052643   5.820826   2.466192   3.635982
    23  H    6.069217   4.883519   6.650832   3.176159   4.278615
    24  H    4.488080   3.288920   5.086821   3.193922   4.277973
    25  H    4.745514   3.836526   5.488697   2.549955   3.792064
    26  C    2.966708   4.603102   4.608332   5.637848   5.732330
    27  O    3.862765   5.478575   5.397495   6.401567   6.325253
    28  N    3.265446   4.590323   5.026328   4.463816   4.521834
    29  H    2.311056   4.077749   3.758530   6.067853   6.359345
    30  C    3.083751   4.116131   4.671781   4.033254   4.393073
    31  H    4.077553   5.091672   5.558460   4.430080   4.672646
    32  H    3.276185   3.842230   4.805169   2.993878   3.518411
    33  H    2.364037   3.499150   3.765379   4.750090   5.287002
    34  C    4.549371   5.671015   6.338569   4.142051   3.800628
    35  H    5.380961   6.587763   7.146275   4.779870   4.309552
    36  H    4.827041   5.978867   6.598489   4.694181   4.249971
    37  H    4.760454   5.559940   6.514112   3.102536   2.702887
    38  C    6.259726   6.271992   7.325114   5.864666   5.748256
    39  O    6.227775   6.078651   7.018680   6.587512   6.658085
    40  N    5.894106   6.284191   7.180796   5.722507   5.447710
    41  H    6.889260   6.760393   7.997110   5.547541   5.348283
    42  C    5.375596   6.066485   6.607295   6.474156   6.290579
    43  H    4.938290   5.486529   5.937735   6.712872   6.725220
    44  H    6.315565   7.091103   7.499269   7.467512   7.182977
    45  H    4.808443   5.756047   6.215028   6.078970   5.871753
    46  C    6.432016   6.934982   7.925845   5.250532   4.682616
    47  H    7.003140   7.281394   8.460027   4.962468   4.330384
    48  H    5.756369   6.401709   7.367962   4.573423   3.994217
    49  H    7.221828   7.876214   8.737975   6.196855   5.509479
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056774   0.000000
    18  C    1.465086   3.417367   0.000000
    19  H    2.098795   4.091156   1.101611   0.000000
    20  H    2.121922   3.986088   1.102810   1.791381   0.000000
    21  H    2.102820   3.653752   1.097683   1.797265   1.797240
    22  C    1.463134   2.560924   2.491184   2.613248   2.931851
    23  H    2.115059   3.305931   2.797221   2.935807   2.819051
    24  H    2.106898   3.348026   2.733213   2.397692   3.334937
    25  H    2.104521   2.154801   3.418193   3.633165   3.887781
    26  C    6.131370   5.467980   6.790122   6.755530   7.864895
    27  O    6.863080   6.392387   7.313016   7.231415   8.400209
    28  N    5.143797   4.247687   5.930332   6.082529   6.956438
    29  H    6.454536   5.758375   7.220366   7.101267   8.286204
    30  C    4.744847   3.481989   5.827767   6.046217   6.770811
    31  H    5.347114   3.745172   6.507142   6.860309   7.376111
    32  H    3.678685   2.427380   4.837933   5.118702   5.738457
    33  H    5.247342   4.134209   6.350830   6.418407   7.302478
    34  C    5.005617   4.173034   5.608000   5.935349   6.580224
    35  H    5.809071   4.706090   6.470843   6.900407   7.378850
    36  H    5.390641   4.928054   5.729984   5.950751   6.730255
    37  H    4.051803   3.235909   4.683700   5.141112   5.601520
    38  C    5.349297   6.697526   4.471670   3.908971   5.244614
    39  O    5.900570   7.341076   5.059709   4.272127   5.801913
    40  N    5.513519   6.482039   4.883885   4.537216   5.777365
    41  H    4.993203   6.493545   3.901579   3.458607   4.522707
    42  C    6.348185   7.054747   5.962088   5.549772   6.943464
    43  H    6.416436   7.231488   6.060642   5.476809   7.046754
    44  H    7.382425   8.070669   6.923233   6.524922   7.863145
    45  H    6.152796   6.542922   6.001023   5.724882   7.040234
    46  C    5.326883   6.066241   4.744396   4.731435   5.581809
    47  H    4.953921   5.907013   4.158845   4.247470   4.851800
    48  H    4.862314   5.276300   4.577289   4.693261   5.499792
    49  H    6.373549   6.988974   5.789624   5.809212   6.577601
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390402   0.000000
    23  H    3.830550   1.102384   0.000000
    24  H    3.607847   1.102547   1.789929   0.000000
    25  H    4.178554   1.098918   1.797599   1.795296   0.000000
    26  C    6.516156   6.455754   7.557974   6.188866   6.162060
    27  O    6.899250   7.322399   8.418455   6.997101   7.157388
    28  N    5.652314   5.590213   6.679479   5.528682   5.244778
    29  H    7.099328   6.532474   7.618093   6.189068   6.139391
    30  C    5.779020   4.929727   5.976470   5.002110   4.339643
    31  H    6.422165   5.583644   6.566711   5.818288   4.884795
    32  H    4.879575   3.880594   4.915849   4.061081   3.314486
    33  H    6.431759   5.147600   6.178412   5.063328   4.491587
    34  C    5.093797   5.809233   6.846610   5.897295   5.614185
    35  H    5.918081   6.640601   7.646617   6.834216   6.351490
    36  H    5.091040   6.271967   7.303724   6.234074   6.239022
    37  H    4.181364   4.979489   5.965817   5.202243   4.840909
    38  C    3.980457   6.068064   6.709833   5.517493   6.813768
    39  O    4.798775   6.357506   6.951479   5.626616   7.118874
    40  N    4.222218   6.354427   7.144842   5.898514   6.935092
    41  H    3.331608   5.850104   6.372511   5.441434   6.687788
    42  C    5.402293   7.016253   7.908641   6.455361   7.446206
    43  H    5.682843   6.869654   7.740350   6.163370   7.308648
    44  H    6.290253   8.098907   8.975846   7.544087   8.539056
    45  H    5.429219   6.835784   7.810231   6.362515   7.117863
    46  C    3.846445   6.426027   7.215531   6.214079   6.948763
    47  H    3.177265   6.155806   6.821104   6.042159   6.787550
    48  H    3.715832   5.963496   6.841687   5.835617   6.338008
    49  H    4.840946   7.505894   8.298122   7.309575   7.996443
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242811   0.000000
    28  N    1.360895   2.314983   0.000000
    29  H    1.107829   2.057620   2.057074   0.000000
    30  C    2.465987   3.635039   1.463068   2.562205   0.000000
    31  H    3.136958   4.229425   2.116469   3.260150   1.102985
    32  H    3.230955   4.322721   2.108142   3.393152   1.101956
    33  H    2.554198   3.796669   2.103461   2.162905   1.098603
    34  C    2.463028   2.852047   1.465137   3.413786   2.496426
    35  H    3.028032   3.332499   2.122974   3.942843   2.947567
    36  H    2.583721   2.496803   2.100433   3.658721   3.389781
    37  H    3.291370   3.804917   2.098767   4.115131   2.616394
    38  C    6.203807   5.972455   6.146435   6.792917   6.948079
    39  O    6.607357   6.393270   6.715000   7.031635   7.446901
    40  N    5.252820   4.872843   5.251722   5.977974   6.254641
    41  H    6.831168   6.689340   6.570134   7.467643   7.269205
    42  C    4.555124   3.960657   4.922544   5.213480   6.072868
    43  H    4.692628   4.224769   5.183132   5.136418   6.194452
    44  H    5.251995   4.447614   5.729400   5.940999   6.977391
    45  H    3.544618   2.908259   3.943096   4.298765   5.189937
    46  C    5.301126   4.942754   5.033439   6.198704   6.065730
    47  H    6.109773   5.890882   5.660854   6.979365   6.520089
    48  H    4.407112   4.165965   4.010128   5.351062   5.050576
    49  H    5.751715   5.187738   5.594859   6.716045   6.760110
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787680   0.000000
    33  H    1.798957   1.793867   0.000000
    34  C    2.811454   2.735525   3.420303   0.000000
    35  H    2.847470   3.346616   3.902359   1.103441   0.000000
    36  H    3.841730   3.604342   4.172064   1.097396   1.796420
    37  H    2.945121   2.399786   3.633337   1.099724   1.790691
    38  C    7.877048   6.522825   7.311451   5.823221   6.806558
    39  O    8.452596   7.047473   7.641340   6.627508   7.659408
    40  N    7.120520   5.989009   6.696400   4.814877   5.734401
    41  H    8.136043   6.713480   7.734352   6.086778   7.029239
    42  C    6.965911   6.047632   6.362832   4.745800   5.636640
    43  H    7.176902   6.155476   6.308222   5.287136   6.250148
    44  H    7.815729   7.030491   7.276799   5.464614   6.239886
    45  H    6.028146   5.291333   5.519377   3.786450   4.639629
    46  C    6.766242   5.778128   6.721791   4.212771   4.981295
    47  H    7.188334   6.065386   7.228581   4.768415   5.515323
    48  H    5.699593   4.813134   5.770984   3.116361   3.896918
    49  H    7.383858   6.591415   7.440494   4.668325   5.272537
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796610   0.000000
    38  C    5.141615   5.589153   0.000000
    39  O    5.980196   6.454389   1.242614   0.000000
    40  N    3.998060   4.752539   1.361095   2.315975   0.000000
    41  H    5.485716   5.673700   1.109054   2.058376   2.057106
    42  C    3.848707   4.995941   2.468642   2.862721   1.465468
    43  H    4.520107   5.518337   2.575471   2.480975   2.102392
    44  H    4.466871   5.809144   3.073311   3.406927   2.121975
    45  H    2.878471   4.190825   3.272373   3.779820   2.099591
    46  C    3.388947   4.053862   2.466041   3.635663   1.463257
    47  H    4.108067   4.367866   2.549035   3.790939   2.104558
    48  H    2.342949   2.979242   3.181017   4.264695   2.108532
    49  H    3.718551   4.670346   3.189797   4.292410   2.114745
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417661   0.000000
    43  H    3.653129   1.097993   0.000000
    44  H    3.983291   1.102756   1.797630   0.000000
    45  H    4.093755   1.100656   1.795614   1.791574   0.000000
    46  C    2.559733   2.492937   3.386442   2.948617   2.606888
    47  H    2.151904   3.419958   4.177374   3.892682   3.636122
    48  H    3.326969   2.748537   3.603599   3.376102   2.413222
    49  H    3.325288   2.787411   3.824248   2.831137   2.898993
                   46         47         48         49
    46  C    0.000000
    47  H    1.098661   0.000000
    48  H    1.102872   1.794199   0.000000
    49  H    1.102292   1.797323   1.790324   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2140430      0.1938191      0.1842904
 Leave Link  202 at Mon Nov 14 02:28:56 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1479661980 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839774206 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9639887774 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4019
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.40D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.20%
 GePol: Cavity surface area                          =    467.090 Ang**2
 GePol: Cavity volume                                =    457.807 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040121122 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9599766651 Hartrees.
 Leave Link  301 at Mon Nov 14 02:28:56 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:28:57 2016, MaxMem=  2952790016 cpu:        15.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:28:58 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Lowest energy guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000179    0.000593   -0.000110
         Rot=    1.000000   -0.000008   -0.000033   -0.000004 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 B after Tr=     0.005134   -0.017430    0.003076
         Rot=    1.000000    0.000249    0.000953    0.000111 Ang=   0.11 deg.
 Guess basis will be translated and rotated to current coordinates.
 CkInt1:  FT= 3.35D-02
 Max alpha theta=  2.088 degrees.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 02:28:59 2016, MaxMem=  2952790016 cpu:        11.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48457083.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.14D-14 for   2797.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.98D-15 for   1350     26.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.66D-15 for   2794.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.06D-12 for   1987   1914.
 E= -1013.45129691133    
 DIIS: error= 5.13D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45129691133     IErMin= 1 ErrMin= 5.13D-06
 ErrMax= 5.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-08 BMatP= 1.80D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=    17.671 Goal=   None    Shift=    0.000
 RMSDP=1.79D-06 MaxDP=1.06D-04              OVMax= 3.92D-05

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.79D-06    CP:  1.00D+00
 E= -1013.45129691675     Delta-E=       -0.000000005424 Rises=F Damp=F
 DIIS: error= 3.87D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45129691675     IErMin= 2 ErrMin= 3.87D-06
 ErrMax= 3.87D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-08 BMatP= 1.80D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.443D+00 0.557D+00
 Coeff:      0.443D+00 0.557D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.95D-07 MaxDP=4.41D-05 DE=-5.42D-09 OVMax= 4.67D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.85D-07    CP:  1.00D+00  9.50D-01
 E= -1013.45129691739     Delta-E=       -0.000000000640 Rises=F Damp=F
 DIIS: error= 3.61D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1013.45129691739     IErMin= 3 ErrMin= 3.61D-06
 ErrMax= 3.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-08 BMatP= 1.31D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.506D-01 0.481D+00 0.469D+00
 Coeff:      0.506D-01 0.481D+00 0.469D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.14D-07 MaxDP=2.94D-05 DE=-6.40D-10 OVMax= 4.10D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.38D-07    CP:  1.00D+00  9.78D-01  4.30D-01
 E= -1013.45129692657     Delta-E=       -0.000000009183 Rises=F Damp=F
 DIIS: error= 1.56D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45129692657     IErMin= 4 ErrMin= 1.56D-06
 ErrMax= 1.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-09 BMatP= 1.26D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.504D-02 0.315D+00 0.347D+00 0.333D+00
 Coeff:      0.504D-02 0.315D+00 0.347D+00 0.333D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.55D-08 MaxDP=7.66D-06 DE=-9.18D-09 OVMax= 1.39D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.34D-08    CP:  1.00D+00  9.77D-01  5.05D-01  4.43D-01
 E= -1013.45129692784     Delta-E=       -0.000000001271 Rises=F Damp=F
 DIIS: error= 1.64D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45129692784     IErMin= 5 ErrMin= 1.64D-07
 ErrMax= 1.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-11 BMatP= 1.47D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.604D-04 0.140D+00 0.156D+00 0.176D+00 0.527D+00
 Coeff:     -0.604D-04 0.140D+00 0.156D+00 0.176D+00 0.527D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.58D-08 MaxDP=8.26D-07 DE=-1.27D-09 OVMax= 9.39D-07

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.26D-08    CP:  1.00D+00  9.77D-01  5.02D-01  4.43D-01  7.83D-01
 E= -1013.45129692787     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 4.72D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45129692787     IErMin= 6 ErrMin= 4.72D-08
 ErrMax= 4.72D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-12 BMatP= 1.76D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.326D-03 0.447D-01 0.502D-01 0.628D-01 0.279D+00 0.564D+00
 Coeff:     -0.326D-03 0.447D-01 0.502D-01 0.628D-01 0.279D+00 0.564D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.77D-09 MaxDP=1.48D-07 DE=-2.27D-11 OVMax= 2.04D-07

 Error on total polarization charges =  0.04310
 SCF Done:  E(RB97D) =  -1013.45129693     A.U. after    6 cycles
            NFock=  6  Conv=0.48D-08     -V/T= 2.0213
 KE= 9.923495131815D+02 PE=-6.027443726368D+03 EE= 2.173682939593D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:30:17 2016, MaxMem=  2952790016 cpu:       878.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 02:30:25 2016, MaxMem=  2952790016 cpu:        96.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:30:25 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:31:02 2016, MaxMem=  2952790016 cpu:       439.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21557357D+00-2.67916123D+00 3.27950728D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000095727    0.000051140   -0.000094261
      2        6           0.000046878   -0.000046841    0.000066899
      3        8           0.000025354    0.000034109   -0.000114183
      4        7          -0.000030122    0.000023040   -0.000033359
      5        1           0.000012646    0.000017550    0.000045412
      6        6           0.000046989    0.000021786    0.000071511
      7        1           0.000037697    0.000030833    0.000033325
      8        1           0.000013950    0.000047919   -0.000004694
      9        1           0.000016474    0.000022170    0.000055470
     10        6           0.000034616   -0.000006512   -0.000014650
     11        1           0.000004587    0.000040626    0.000047748
     12        1           0.000023988    0.000027884   -0.000003368
     13        1           0.000034620    0.000019578    0.000023524
     14        6          -0.000038702    0.000001692   -0.000000313
     15        8          -0.000009639   -0.000040664   -0.000015422
     16        7          -0.000025841    0.000006926   -0.000033992
     17        1           0.000010432    0.000022276   -0.000027930
     18        6          -0.000012921   -0.000004189   -0.000040752
     19        1           0.000004061   -0.000000718   -0.000048508
     20        1           0.000002746   -0.000004143   -0.000050952
     21        1          -0.000005987   -0.000007436   -0.000044397
     22        6          -0.000004822    0.000017540   -0.000035001
     23        1           0.000029879    0.000009207   -0.000060648
     24        1           0.000033196    0.000010395   -0.000023076
     25        1           0.000020008    0.000017502   -0.000026971
     26        6          -0.000024226    0.000071503    0.000050951
     27        8           0.000033970   -0.000035098    0.000068621
     28        7          -0.000003770    0.000030682    0.000031759
     29        1          -0.000020523   -0.000005646    0.000022296
     30        6          -0.000016632   -0.000038536    0.000018705
     31        1           0.000031310    0.000019407   -0.000015879
     32        1          -0.000000393   -0.000006438   -0.000008711
     33        1          -0.000021829    0.000013162    0.000012300
     34        6          -0.000027324   -0.000036078    0.000025371
     35        1          -0.000021558   -0.000009562    0.000009798
     36        1          -0.000040683   -0.000012803   -0.000004135
     37        1           0.000003019   -0.000026526    0.000005788
     38        6          -0.000042845   -0.000059971    0.000041230
     39        8          -0.000029816   -0.000036951   -0.000004545
     40        7          -0.000065810   -0.000028550    0.000012654
     41        1          -0.000017174   -0.000015956   -0.000027120
     42        6          -0.000120444   -0.000091717    0.000082105
     43        1          -0.000026707   -0.000006090    0.000038454
     44        1           0.000083371    0.000025538   -0.000038641
     45        1          -0.000022032    0.000020927    0.000054229
     46        6           0.000058641   -0.000040014   -0.000066061
     47        1          -0.000019840   -0.000021439    0.000007264
     48        1          -0.000025546    0.000010343    0.000014062
     49        1          -0.000028973   -0.000031854   -0.000001908
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000120444 RMS     0.000037240
 Leave Link  716 at Mon Nov 14 02:31:02 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000072138 RMS     0.000009290
 Search for a local minimum.
 Step number  51 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .92900D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   50   51
 ITU=  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---   -0.00039   0.00000   0.00002   0.00033   0.00092
     Eigenvalues ---    0.00146   0.00208   0.00347   0.00370   0.00388
     Eigenvalues ---    0.00511   0.00586   0.00639   0.00718   0.00733
     Eigenvalues ---    0.00785   0.00847   0.00874   0.01011   0.01024
     Eigenvalues ---    0.01105   0.01164   0.01193   0.01249   0.01318
     Eigenvalues ---    0.01410   0.01480   0.01577   0.01638   0.01680
     Eigenvalues ---    0.01754   0.01772   0.01805   0.01872   0.01906
     Eigenvalues ---    0.01928   0.02090   0.02150   0.02250   0.02266
     Eigenvalues ---    0.02359   0.02468   0.02646   0.02957   0.03147
     Eigenvalues ---    0.03463   0.03859   0.03917   0.04381   0.04639
     Eigenvalues ---    0.04797   0.05215   0.05696   0.05962   0.06125
     Eigenvalues ---    0.06306   0.06513   0.06542   0.06854   0.06993
     Eigenvalues ---    0.07132   0.07247   0.07793   0.07869   0.08050
     Eigenvalues ---    0.08128   0.08200   0.08327   0.08471   0.08626
     Eigenvalues ---    0.08778   0.08819   0.08959   0.09094   0.09452
     Eigenvalues ---    0.09511   0.09696   0.09851   0.09913   0.10282
     Eigenvalues ---    0.10336   0.10447   0.10546   0.10601   0.11024
     Eigenvalues ---    0.11227   0.11318   0.11476   0.11934   0.13146
     Eigenvalues ---    0.13453   0.13984   0.14708   0.15203   0.15297
     Eigenvalues ---    0.15593   0.15658   0.21618   0.22939   0.23309
     Eigenvalues ---    0.23692   0.24051   0.24798   0.25477   0.26259
     Eigenvalues ---    0.26999   0.27774   0.28388   0.29271   0.29587
     Eigenvalues ---    0.29820   0.30277   0.32705   0.32741   0.32820
     Eigenvalues ---    0.32828   0.33299   0.33344   0.33374   0.33383
     Eigenvalues ---    0.33408   0.33421   0.33456   0.33501   0.33691
     Eigenvalues ---    0.33791   0.33811   0.33834   0.33895   0.33923
     Eigenvalues ---    0.33957   0.34014   0.34135   0.37302   0.39125
     Eigenvalues ---    0.40512   0.41274   0.85073   0.85970   0.86039
     Eigenvalues ---    0.86252
 Eigenvalue     1 is  -3.89D-04 should be greater than     0.000000 Eigenvector:
                          R4        R3        R18      D482      D481
   1                    0.27797   0.22387   0.18754  -0.14290  -0.14281
                         D480      D407      D403      D405      D377
   1                   -0.13903  -0.13136  -0.12313  -0.12313  -0.11333
 Eigenvalue     2 is  -1.71D-06 should be greater than     0.000000 Eigenvector:
                         D381      D383      D373      D375      D399
   1                   -0.18928  -0.18283  -0.18084  -0.17479  -0.17251
                         D369      D397      D371      D389      D395
   1                   -0.17143  -0.17108  -0.17076  -0.16927  -0.16408
 Eigenvalue     3 is   2.20D-05 Eigenvector:
                          R4       D435      D437      D436      A241
   1                   -0.18960  -0.18947  -0.17129  -0.15501  -0.15078
                         D432      A240      D434       D81       D79
   1                   -0.14734   0.14431  -0.12915  -0.11942  -0.11355
 Use linear search instead of GDIIS.
 RFO step:  Lambda=-3.94103559D-04 EMin=-3.88819607D-04
 I=     1 Eig=   -3.89D-04 Dot1=  2.67D-05
 I=     1 Stepn=  6.00D-01 RXN=   6.00D-01 EDone=F
 Mixed    1 eigenvectors in step.  Raw Step.Grad=  2.67D-05.
 RFO eigenvector is Hessian eigenvector with negative curvature.
 Taking step of  6.00D-01 in eigenvector direction(s).  Step.Grad= -1.76D-05.
 Quartic linear search produced a step of -0.00285.
 Iteration  1 RMS(Cart)=  0.02186979 RMS(Int)=  0.00175572
 Iteration  2 RMS(Cart)=  0.00117891 RMS(Int)=  0.00017528
 Iteration  3 RMS(Cart)=  0.00000791 RMS(Int)=  0.00017506
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00017506
 ITry= 1 IFail=0 DXMaxC= 2.13D-01 DCOld= 1.00D+10 DXMaxT= 6.67D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59044   0.00002  -0.00019  -0.00195  -0.00212   6.58832
    R2        6.26344   0.00001   0.00003   0.03871   0.03845   6.30188
    R3        7.26258   0.00000  -0.00004   0.13432   0.13327   7.39585
    R4        6.36251   0.00002  -0.00009   0.16678   0.16745   6.52996
    R5        6.52653   0.00003  -0.00002  -0.02636  -0.02665   6.49988
    R6        5.97721  -0.00002  -0.00014  -0.03541  -0.03533   5.94189
    R7        6.69827   0.00000   0.00006  -0.00433  -0.00422   6.69405
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   A169       1.19769   0.00000  -0.00002   0.00291   0.00289   1.20058
   A170       1.86886   0.00001  -0.00002   0.00079   0.00080   1.86967
   A171       1.99734  -0.00001  -0.00003  -0.01101  -0.01099   1.98635
   A172       2.29333  -0.00001  -0.00006  -0.01319  -0.01329   2.28004
   A173       2.71039   0.00000  -0.00004  -0.01549  -0.01564   2.69475
   A174       2.12540   0.00000  -0.00006  -0.00735  -0.00732   2.11807
   A175       2.11332   0.00001  -0.00007   0.00241   0.00246   2.11578
   A176       2.26758   0.00000   0.00000   0.00804   0.00802   2.27560
   A177       2.04848   0.00001  -0.00001   0.00603   0.00603   2.05452
   A178       1.63905   0.00000  -0.00001   0.00441   0.00439   1.64345
   A179       1.38807   0.00000  -0.00001   0.00586   0.00583   1.39390
   A180       2.13447   0.00000  -0.00001   0.00219   0.00219   2.13666
   A181       1.92263  -0.00001  -0.00001  -0.01114  -0.01108   1.91156
   A182       2.28911   0.00000  -0.00004  -0.01578  -0.01593   2.27319
   A183       2.60915   0.00000  -0.00001  -0.01902  -0.01913   2.59002
   A184       2.26237   0.00001  -0.00005  -0.00873  -0.00875   2.25362
   A185       2.33057   0.00001  -0.00007   0.00199   0.00197   2.33254
   A186       0.69168   0.00000   0.00001   0.00265   0.00267   0.69435
   A187       0.98231   0.00000   0.00001   0.00391   0.00393   0.98624
   A188       0.70049   0.00000   0.00001  -0.00021  -0.00018   0.70031
   A189       2.09225   0.00000   0.00002   0.00332   0.00326   2.09552
   A190       1.72132   0.00000   0.00004   0.00777   0.00793   1.72925
   A191       1.38482   0.00000   0.00003   0.01096   0.01108   1.39590
   A192       1.08263   0.00000   0.00002   0.01150   0.01164   1.09426
   A193       1.62370  -0.00001   0.00003   0.00106   0.00113   1.62484
   A194       1.40601  -0.00001   0.00003  -0.00683  -0.00672   1.39929
   A195       0.66647   0.00000   0.00000   0.00073   0.00077   0.66724
   A196       2.24991   0.00000  -0.00001   0.00192   0.00176   2.25167
   A197       1.85470   0.00000   0.00002   0.00823   0.00839   1.86309
   A198       1.62505  -0.00001   0.00002   0.01286   0.01296   1.63801
   A199       1.30681   0.00000   0.00000   0.01318   0.01328   1.32008
   A200       1.61690  -0.00001   0.00001   0.00083   0.00090   1.61781
   A201       1.34465  -0.00001   0.00001  -0.00486  -0.00474   1.33991
   A202       0.70996   0.00000   0.00000  -0.00019  -0.00019   0.70977
   A203       2.64066   0.00000  -0.00002   0.00236   0.00215   2.64281
   A204       2.25314   0.00000   0.00001   0.00971   0.00987   2.26301
   A205       2.03494   0.00000   0.00003   0.01463   0.01476   2.04969
   A206       1.71722   0.00000   0.00001   0.01503   0.01515   1.73237
   A207       1.95734   0.00000  -0.00001   0.00194   0.00201   1.95935
   A208       1.67055   0.00000   0.00000  -0.00173  -0.00161   1.66894
   A209       0.83460   0.00000   0.00000  -0.00512  -0.00511   0.82949
   A210       2.69428  -0.00001  -0.00006  -0.01001  -0.01029   2.68399
   A211       2.38694   0.00000  -0.00002   0.00137   0.00143   2.38837
   A212       2.27957   0.00000   0.00002   0.01198   0.01206   2.29162
   A213       1.96363   0.00000  -0.00001   0.01251   0.01258   1.97621
   A214       2.01451   0.00000  -0.00003  -0.00617  -0.00612   2.00838
   A215       1.73347   0.00000  -0.00003  -0.00684  -0.00671   1.72676
   A216       1.93546  -0.00001  -0.00003   0.00167   0.00148   1.93695
   A217       1.56524   0.00000   0.00000   0.00885   0.00901   1.57425
   A218       1.48052  -0.00001   0.00001   0.01382   0.01392   1.49444
   A219       1.18853   0.00000  -0.00003   0.01336   0.01345   1.20198
   A220       1.24778  -0.00001  -0.00001   0.00221   0.00229   1.25007
   A221       0.96201   0.00000  -0.00001  -0.00180  -0.00167   0.96034
   A222       0.71749   0.00001  -0.00001  -0.00594  -0.00600   0.71149
   A223       1.00977   0.00001  -0.00001  -0.00802  -0.00817   1.00161
   A224       0.69781   0.00000  -0.00002  -0.00129  -0.00155   0.69626
   A225       0.98511   0.00000  -0.00002   0.00129   0.00107   0.98618
   A226       0.65817   0.00000   0.00000  -0.00263  -0.00261   0.65556
   A227       0.66559   0.00000   0.00000   0.00465   0.00483   0.67042
   A228       0.70874  -0.00001   0.00002   0.00310   0.00313   0.71187
   A229       0.84553  -0.00001   0.00003   0.00171   0.00186   0.84739
   A230       0.76626  -0.00001  -0.00002  -0.00235  -0.00236   0.76390
   A231       0.77756  -0.00001  -0.00002  -0.00529  -0.00518   0.77238
   A232       1.58306   0.00007  -0.00012  -0.03381  -0.03380   1.54926
   A233       1.86859  -0.00003   0.00002   0.03299   0.03302   1.90161
   A234       2.18987   0.00003  -0.00001  -0.00309  -0.00303   2.18683
   A235       2.12923  -0.00002   0.00000   0.00128   0.00176   2.13099
   A236       1.96371  -0.00001   0.00001   0.00210   0.00151   1.96522
   A237       2.12407   0.00002  -0.00001   0.00720   0.00747   2.13154
   A238       2.12643   0.00000   0.00001  -0.00126  -0.00162   2.12480
   A239       2.03204  -0.00002  -0.00001  -0.00591  -0.00582   2.02622
   A240       1.82847   0.00001  -0.00007   0.04343   0.04346   1.87193
   A241       2.54549  -0.00001   0.00007  -0.03942  -0.04005   2.50544
   A242       1.91374   0.00000   0.00000   0.00244   0.00342   1.91717
   A243       1.91557   0.00002  -0.00002   0.00745   0.00728   1.92285
   A244       1.91664   0.00000   0.00002  -0.00323  -0.00478   1.91187
   A245       1.91018   0.00000  -0.00002  -0.00293  -0.00373   1.90645
   A246       1.90867  -0.00001   0.00000  -0.00288  -0.00286   1.90581
   A247       1.89892  -0.00001   0.00002  -0.00092   0.00058   1.89950
   A248       1.28161   0.00001   0.00006  -0.02088  -0.02072   1.26090
   A249       1.90505  -0.00003   0.00001  -0.00683  -0.00676   1.89830
   A250       1.90952   0.00000   0.00000   0.00248   0.00270   1.91222
   A251       1.92743   0.00002  -0.00001   0.00235   0.00233   1.92976
   A252       1.91088   0.00001   0.00001   0.00149   0.00120   1.91208
   A253       1.89791   0.00000  -0.00001   0.00027   0.00033   1.89823
   A254       1.91293  -0.00001   0.00001   0.00021   0.00015   1.91308
   A255       1.71987   0.00002   0.00002   0.01440   0.01443   1.73430
   A256       1.76809  -0.00002   0.00000  -0.01668  -0.01665   1.75144
   A257       2.19075   0.00001   0.00000   0.00155   0.00154   2.19229
   A258       2.13001   0.00000   0.00000  -0.00074  -0.00065   2.12936
   A259       1.96222  -0.00001   0.00000  -0.00078  -0.00086   1.96136
   A260       2.12485   0.00000   0.00000   0.00100   0.00102   2.12586
   A261       2.12323   0.00000   0.00000  -0.00047  -0.00040   2.12283
   A262       2.03482   0.00000   0.00000  -0.00062  -0.00072   2.03410
   A263       1.34949   0.00000   0.00002   0.03225   0.03220   1.38169
   A264       1.90045  -0.00001   0.00000   0.00155   0.00128   1.90172
   A265       1.93131   0.00001   0.00000  -0.00031  -0.00022   1.93109
   A266       1.91008   0.00000   0.00000   0.00056   0.00048   1.91057
   A267       1.89731   0.00000   0.00000  -0.00150  -0.00144   1.89586
   A268       1.91307   0.00000   0.00000   0.00005   0.00023   1.91330
   A269       1.91149   0.00000   0.00000  -0.00035  -0.00033   1.91116
   A270       2.66523   0.00001   0.00001   0.01215   0.01206   2.67730
   A271       1.69823   0.00000  -0.00001  -0.01301  -0.01299   1.68525
   A272       1.92453   0.00000   0.00000   0.00031   0.00015   1.92468
   A273       1.91300   0.00000   0.00000  -0.00039  -0.00048   1.91252
   A274       1.91351   0.00000   0.00000  -0.00023  -0.00019   1.91332
   A275       1.89440   0.00001   0.00000   0.00140   0.00156   1.89597
   A276       1.91101   0.00000   0.00000  -0.00044  -0.00041   1.91061
   A277       1.90719  -0.00001   0.00000  -0.00064  -0.00063   1.90655
   A278       1.79995   0.00004  -0.00001   0.01371   0.01380   1.81375
   A279       1.75685  -0.00003   0.00000  -0.01338  -0.01338   1.74346
   A280       2.18974   0.00001   0.00001  -0.00380  -0.00390   2.18584
   A281       2.13047   0.00000  -0.00001   0.00679   0.00681   2.13728
   A282       1.96290  -0.00001   0.00000  -0.00288  -0.00284   1.96006
   A283       2.12288  -0.00001   0.00000   0.00208   0.00203   2.12491
   A284       2.11594   0.00000   0.00000   0.00073   0.00084   2.11678
   A285       2.04167   0.00000  -0.00001  -0.00268  -0.00273   2.03894
   A286       2.69395   0.00003   0.00003   0.02848   0.02852   2.72247
   A287       1.66547  -0.00002  -0.00003  -0.02603  -0.02607   1.63940
   A288       1.92595   0.00000   0.00000   0.00110   0.00102   1.92697
   A289       1.91543   0.00000   0.00000  -0.00055  -0.00062   1.91481
   A290       1.91245   0.00000  -0.00001  -0.00101  -0.00103   1.91142
   A291       1.89090   0.00001   0.00001   0.00354   0.00364   1.89455
   A292       1.91278  -0.00001   0.00000  -0.00235  -0.00232   1.91047
   A293       1.90610  -0.00001   0.00000  -0.00071  -0.00069   1.90542
   A294       1.35542  -0.00001  -0.00003   0.02548   0.02544   1.38086
   A295       1.15005   0.00001   0.00003  -0.01380  -0.01374   1.13631
   A296       1.93204   0.00000   0.00000  -0.00025  -0.00015   1.93189
   A297       1.90701  -0.00001   0.00000  -0.00140  -0.00140   1.90562
   A298       1.90230   0.00001   0.00000  -0.00024  -0.00053   1.90177
   A299       1.90975   0.00001   0.00000  -0.00025  -0.00024   1.90951
   A300       1.89782   0.00000   0.00000  -0.00048  -0.00045   1.89737
   A301       1.91485   0.00000   0.00000   0.00266   0.00282   1.91766
   A302       1.71139   0.00001   0.00005   0.05830   0.05816   1.76956
   A303       1.77457   0.00000   0.00010  -0.02279  -0.02256   1.75200
   A304       2.19139  -0.00001   0.00000   0.00703   0.00775   2.19915
   A305       2.13026  -0.00001  -0.00001  -0.00379  -0.00361   2.12665
   A306       1.96126   0.00002   0.00001  -0.00327  -0.00417   1.95709
   A307       2.12341   0.00002  -0.00001   0.00116   0.00056   2.12397
   A308       2.12246   0.00000  -0.00001   0.00170   0.00140   2.12387
   A309       2.03654  -0.00003   0.00002  -0.00107  -0.00121   2.03533
   A310       1.32501   0.00001  -0.00027  -0.01123  -0.01161   1.31340
   A311       3.03142   0.00000   0.00026   0.02046   0.02048   3.05190
   A312       1.90871   0.00000  -0.00003   0.00137   0.00087   1.90957
   A313       1.93097   0.00000  -0.00010   0.00102   0.00223   1.93320
   A314       1.90207   0.00001  -0.00001  -0.00538  -0.00524   1.89684
   A315       1.91177   0.00000   0.00004  -0.00306  -0.00348   1.90830
   A316       1.91130   0.00000   0.00000   0.00389   0.00398   1.91528
   A317       1.89888  -0.00001   0.00010   0.00220   0.00168   1.90057
   A318       1.73165   0.00001   0.00001  -0.00970  -0.00961   1.72204
   A319       1.91368  -0.00001  -0.00001  -0.00120  -0.00116   1.91252
   A320       1.91478   0.00002   0.00000   0.00873   0.00893   1.92370
   A321       1.92404   0.00000   0.00001  -0.00051  -0.00055   1.92350
   A322       1.90538   0.00001  -0.00001   0.00380   0.00358   1.90896
   A323       1.91103   0.00000   0.00001  -0.00544  -0.00547   1.90556
   A324       1.89472  -0.00001   0.00000  -0.00539  -0.00540   1.88933
   A325       2.93428   0.00000   0.00001  -0.01165  -0.01163   2.92265
   A326       3.35360   0.00000   0.00008  -0.00404  -0.00405   3.34955
   A327       3.07218   0.00000   0.00008  -0.00444  -0.00441   3.06777
   A328       3.19454   0.00000   0.00007  -0.02067  -0.02057   3.17397
   A329       3.26097   0.00000   0.00002   0.03189   0.03187   3.29285
   A330       3.26517   0.00000  -0.00004   0.02523   0.02520   3.29037
   A331       3.64268   0.00001   0.00002  -0.01514  -0.01507   3.62760
   A332       3.21132   0.00000  -0.00004  -0.00310  -0.00363   3.20769
   A333       3.00009   0.00000  -0.00003  -0.01753  -0.01761   2.98248
   A334       2.93524   0.00000  -0.00003  -0.01920  -0.01931   2.91593
   A335       3.22827   0.00002   0.00004   0.01870   0.01877   3.24704
   A336       3.07893   0.00000   0.00000  -0.00601  -0.00593   3.07300
   A337       3.10174   0.00001   0.00001  -0.00234  -0.00225   3.09949
   A338       3.03819   0.00000  -0.00002  -0.00773  -0.00780   3.03039
    D1        2.75885   0.00000   0.00003  -0.00371  -0.00387   2.75497
    D2       -1.36150   0.00001  -0.00001  -0.00783  -0.00810  -1.36960
    D3        2.78120   0.00000   0.00002   0.01499   0.01461   2.79581
    D4       -1.33915   0.00000  -0.00003   0.01088   0.01038  -1.32876
    D5        1.66404   0.00000   0.00004   0.00900   0.00910   1.67313
    D6       -2.45631   0.00000   0.00000   0.00488   0.00487  -2.45144
    D7        1.84564   0.00000   0.00003   0.01839   0.01846   1.86410
    D8       -2.27470   0.00001  -0.00001   0.01427   0.01423  -2.26047
    D9        0.32418  -0.00001   0.00005   0.01452   0.01460   0.33878
   D10        2.48702  -0.00001   0.00001   0.01041   0.01038   2.49739
   D11        0.03893  -0.00001   0.00006   0.01650   0.01662   0.05556
   D12        2.20178   0.00000   0.00001   0.01238   0.01240   2.21417
   D13       -0.43013   0.00000   0.00006   0.01810   0.01825  -0.41188
   D14        1.73272   0.00000   0.00001   0.01398   0.01402   1.74674
   D15       -0.55067   0.00000   0.00006   0.01508   0.01522  -0.53544
   D16        1.61218   0.00000   0.00001   0.01097   0.01099   1.62317
   D17        0.21812   0.00000   0.00006   0.02144   0.02155   0.23967
   D18        2.38096   0.00000   0.00002   0.01733   0.01733   2.39828
   D19        0.15327   0.00000   0.00006   0.01978   0.01986   0.17313
   D20        2.31611   0.00000   0.00002   0.01566   0.01563   2.33174
   D21        2.40596   0.00000   0.00006   0.02854   0.02862   2.43457
   D22       -1.71439   0.00000   0.00002   0.02442   0.02439  -1.69000
   D23        2.16110   0.00000   0.00006   0.02873   0.02885   2.18995
   D24       -1.95924   0.00000   0.00002   0.02461   0.02462  -1.93462
   D25        1.71975   0.00000   0.00005   0.02657   0.02668   1.74643
   D26       -2.40059   0.00000   0.00001   0.02246   0.02245  -2.37814
   D27        1.41277   0.00000   0.00005   0.02640   0.02657   1.43934
   D28       -2.70757   0.00000   0.00001   0.02228   0.02234  -2.68523
   D29        2.36994  -0.00001   0.00006   0.02792   0.02803   2.39797
   D30       -1.75040  -0.00001   0.00002   0.02380   0.02380  -1.72660
   D31       -1.77963   0.00001   0.00008   0.03217   0.03221  -1.74741
   D32        0.38322   0.00001   0.00004   0.02805   0.02799   0.41120
   D33       -2.11779   0.00000   0.00011   0.03507   0.03527  -2.08252
   D34        0.04505   0.00001   0.00006   0.03095   0.03104   0.07610
   D35       -2.49718   0.00000   0.00009   0.03808   0.03829  -2.45889
   D36       -0.33433   0.00000   0.00005   0.03396   0.03406  -0.30027
   D37       -2.78197   0.00000   0.00009   0.03898   0.03917  -2.74281
   D38       -0.61913   0.00000   0.00005   0.03486   0.03494  -0.58419
   D39       -2.12656  -0.00001   0.00011   0.02764   0.02769  -2.09886
   D40        0.03629  -0.00001   0.00007   0.02353   0.02346   0.05975
   D41       -2.37330  -0.00001   0.00012   0.01518   0.01534  -2.35795
   D42       -0.21045  -0.00001   0.00007   0.01106   0.01112  -0.19934
   D43        1.26285   0.00001   0.00002  -0.02838  -0.02868   1.23416
   D44       -1.92237   0.00001  -0.00004   0.01758   0.01721  -1.90516
   D45        2.45896  -0.00001   0.00004  -0.01145  -0.01144   2.44752
   D46       -0.72626  -0.00001  -0.00002   0.03451   0.03445  -0.69180
   D47        2.94543   0.00000   0.00003  -0.00165  -0.00150   2.94393
   D48       -0.23979  -0.00001  -0.00002   0.04431   0.04439  -0.19539
   D49        2.86297   0.00001   0.00006  -0.01329  -0.01329   2.84968
   D50       -0.32225   0.00001   0.00001   0.03268   0.03260  -0.28964
   D51        2.05378   0.00000   0.00008  -0.00130  -0.00145   2.05234
   D52       -1.13144   0.00000   0.00002   0.04466   0.04445  -1.08699
   D53        1.16949   0.00000   0.00007   0.01564   0.01546   1.18495
   D54       -2.01572   0.00000   0.00002   0.06161   0.06135  -1.95437
   D55        1.02690   0.00000   0.00006  -0.00157  -0.00151   1.02540
   D56       -2.15832   0.00000   0.00000   0.04440   0.04439  -2.11393
   D57        2.02691   0.00000   0.00006  -0.00158  -0.00170   2.02521
   D58       -1.15831   0.00000   0.00001   0.04438   0.04419  -1.11412
   D59        1.83337   0.00000   0.00006  -0.00493  -0.00501   1.82836
   D60       -1.35185   0.00000   0.00000   0.04104   0.04089  -1.31096
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   D84       -2.60944  -0.00001   0.00003   0.00193   0.00197  -2.60746
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   D98       -2.44141   0.00000   0.00007   0.02523   0.02563  -2.41578
   D99       -2.66622   0.00000   0.00006   0.02448   0.02469  -2.64153
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   D284       1.57830   0.00001   0.00001  -0.01215  -0.01217   1.56613
   D285      -2.63781   0.00001   0.00002  -0.01816  -0.01820  -2.65600
   D286       1.64143   0.00000   0.00003  -0.00317  -0.00313   1.63830
   D287      -2.57467   0.00000   0.00004  -0.00918  -0.00916  -2.58383
   D288       1.33187   0.00000   0.00003   0.00961   0.00963   1.34150
   D289      -2.88423   0.00000   0.00004   0.00360   0.00360  -2.88063
   D290       1.24510   0.00000   0.00005   0.00130   0.00159   1.24669
   D291      -2.97100   0.00000   0.00006  -0.00471  -0.00443  -2.97544
   D292       2.03861   0.00000   0.00003  -0.00008  -0.00011   2.03850
   D293      -2.17749   0.00000   0.00004  -0.00610  -0.00614  -2.18363
   D294       2.02044   0.00000   0.00004  -0.00440  -0.00440   2.01603
   D295      -2.19567   0.00000   0.00005  -0.01041  -0.01043  -2.20609
   D296      -2.30083   0.00001   0.00002   0.00186   0.00188  -2.29895
   D297      -0.23375   0.00001   0.00003  -0.00415  -0.00415  -0.23789
   D298      -2.27584   0.00000   0.00002  -0.00056  -0.00059  -2.27643
   D299      -0.20876   0.00001   0.00003  -0.00658  -0.00661  -0.21537
   D300      -1.88764   0.00000   0.00002  -0.00306  -0.00311  -1.89075
   D301       0.17945   0.00000   0.00003  -0.00907  -0.00914   0.17031
   D302      -1.82591   0.00000   0.00002   0.00325   0.00319  -1.82272
   D303       0.24117   0.00000   0.00003  -0.00276  -0.00283   0.23834
   D304      -2.62163   0.00000   0.00002  -0.00427  -0.00429  -2.62591
   D305      -0.55454   0.00000   0.00003  -0.01029  -0.01031  -0.56486
   D306      -2.74683   0.00000   0.00002  -0.00287  -0.00285  -2.74968
   D307      -0.67974   0.00000   0.00003  -0.00888  -0.00888  -0.68862
   D308       1.52315  -0.00001   0.00002  -0.01314  -0.01311   1.51004
   D309      -2.69295  -0.00001   0.00003  -0.01915  -0.01913  -2.71209
   D310       2.62371   0.00000   0.00002  -0.00834  -0.00830   2.61541
   D311      -1.59239   0.00000   0.00003  -0.01435  -0.01432  -1.60672
   D312       3.00644   0.00000   0.00003  -0.00044  -0.00037   3.00607
   D313      -1.20966   0.00000   0.00004  -0.00645  -0.00640  -1.21606
   D314      -0.43143  -0.00001  -0.00004  -0.01644  -0.01652  -0.44795
   D315       1.63566  -0.00001  -0.00003  -0.02245  -0.02255   1.61311
   D316      -0.28921  -0.00001  -0.00004  -0.01465  -0.01468  -0.30389
   D317       1.77787  -0.00001  -0.00003  -0.02066  -0.02070   1.75717
   D318       0.13403   0.00000  -0.00002  -0.01374  -0.01376   0.12026
   D319       2.20111   0.00000  -0.00001  -0.01975  -0.01979   2.18132
   D320       0.26477   0.00000  -0.00006  -0.01608  -0.01612   0.24865
   D321       2.33185   0.00000  -0.00005  -0.02209  -0.02215   2.30971
   D322      -0.55234   0.00000  -0.00004  -0.01193  -0.01189  -0.56423
   D323       1.51475   0.00000  -0.00003  -0.01794  -0.01792   1.49683
   D324      -0.59051   0.00000  -0.00005  -0.00182  -0.00179  -0.59230
   D325       1.47657   0.00000  -0.00004  -0.00783  -0.00781   1.46876
   D326       0.04864   0.00000  -0.00003   0.00149   0.00158   0.05022
   D327       2.23398   0.00000   0.00002   0.01073   0.01084   2.24482
   D328       0.35809   0.00000  -0.00003  -0.00507  -0.00510   0.35299
   D329       2.54343   0.00000   0.00001   0.00418   0.00416   2.54759
   D330       0.72017   0.00001  -0.00003  -0.00901  -0.00914   0.71103
   D331       2.90551   0.00001   0.00002   0.00023   0.00012   2.90563
   D332       0.99843   0.00001  -0.00002  -0.01231  -0.01230   0.98612
   D333      -3.09942   0.00000   0.00002  -0.00307  -0.00304  -3.10246
   D334       0.30497   0.00000  -0.00004  -0.01550  -0.01552   0.28945
   D335       2.49031  -0.00001   0.00000  -0.00625  -0.00626   2.48405
   D336       0.68746   0.00001  -0.00003  -0.00961  -0.00951   0.67795
   D337       2.87280   0.00000   0.00001  -0.00037  -0.00026   2.87255
   D338      -2.36398   0.00000  -0.00004  -0.00246  -0.00257  -2.36655
   D339      -0.17864   0.00000   0.00001   0.00678   0.00669  -0.17195
   D340      -1.98329   0.00001  -0.00004  -0.00331  -0.00333  -1.98662
   D341       0.20206   0.00000   0.00000   0.00593   0.00592   0.20798
   D342      -1.94059   0.00001  -0.00003  -0.00037  -0.00027  -1.94085
   D343       0.24476   0.00001   0.00002   0.00887   0.00899   0.25375
   D344      -1.64697   0.00001  -0.00002  -0.00326  -0.00316  -1.65013
   D345       0.53837   0.00001   0.00003   0.00599   0.00610   0.54447
   D346      -1.60610   0.00000  -0.00006  -0.00504  -0.00508  -1.61117
   D347       0.57925   0.00000  -0.00001   0.00420   0.00418   0.58343
   D348      -1.30439   0.00000  -0.00006  -0.00561  -0.00563  -1.31003
   D349       0.88095   0.00000  -0.00001   0.00364   0.00363   0.88458
   D350       1.80035   0.00001   0.00000   0.00029   0.00036   1.80071
   D351      -2.29749   0.00000   0.00005   0.00953   0.00962  -2.28787
   D352       2.22512   0.00001   0.00002   0.00312   0.00321   2.22834
   D353      -1.87272   0.00001   0.00006   0.01237   0.01247  -1.86025
   D354       2.44343   0.00002   0.00008   0.01115   0.01143   2.45486
   D355      -1.65441   0.00001   0.00012   0.02039   0.02068  -1.63373
   D356       3.08470   0.00002   0.00006   0.01615   0.01568   3.10038
   D357      -1.01314   0.00002   0.00010   0.02539   0.02494  -0.98821
   D358       2.56090   0.00001   0.00000   0.00060   0.00063   2.56153
   D359      -1.53694   0.00000   0.00004   0.00985   0.00989  -1.52706
   D360       1.61402   0.00000  -0.00005  -0.01649  -0.01694   1.59709
   D361      -2.48382   0.00000   0.00000  -0.00725  -0.00768  -2.49150
   D362       1.78166   0.00000   0.00003  -0.01010  -0.01031   1.77134
   D363      -2.31618   0.00000   0.00007  -0.00086  -0.00106  -2.31724
   D364       2.73986  -0.00001   0.00001  -0.00570  -0.00581   2.73405
   D365      -1.35798  -0.00002   0.00005   0.00354   0.00345  -1.35453
   D366       2.71748  -0.00001   0.00002  -0.01411  -0.01414   2.70335
   D367      -1.38036  -0.00001   0.00006  -0.00487  -0.00488  -1.38524
   D368       0.04008   0.00000  -0.00004   0.00025   0.00046   0.04054
   D369      -2.58180   0.00000  -0.00004  -0.05862  -0.05840  -2.64019
   D370       0.43976   0.00000  -0.00003  -0.00016  -0.00018   0.43959
   D371      -2.18211   0.00000  -0.00003  -0.05903  -0.05903  -2.24114
   D372       0.64790   0.00001  -0.00002   0.00676   0.00645   0.65434
   D373      -1.97398   0.00001  -0.00002  -0.05211  -0.05241  -2.02639
   D374       0.91977   0.00000  -0.00002  -0.00220  -0.00213   0.91764
   D375      -1.70210   0.00000  -0.00002  -0.06107  -0.06099  -1.76310
   D376       0.68617   0.00000  -0.00004  -0.00913  -0.00927   0.67690
   D377      -1.93570   0.00000  -0.00004  -0.06800  -0.06813  -2.00383
   D378       1.02443   0.00000  -0.00003  -0.00621  -0.00630   1.01813
   D379      -1.59744   0.00000  -0.00003  -0.06507  -0.06516  -1.66260
   D380      -2.78415   0.00001  -0.00002   0.01923   0.01915  -2.76500
   D381       0.87716   0.00001  -0.00002  -0.03964  -0.03971   0.83745
   D382      -2.22510   0.00001  -0.00005   0.01683   0.01657  -2.20853
   D383       1.43621   0.00001  -0.00005  -0.04203  -0.04229   1.39392
   D384      -1.98067   0.00001  -0.00005   0.00764   0.00757  -1.97310
   D385       1.68064   0.00001  -0.00005  -0.05123  -0.05128   1.62935
   D386      -1.64742   0.00000  -0.00005   0.00018   0.00007  -1.64735
   D387       2.01389   0.00000  -0.00005  -0.05869  -0.05878   1.95511
   D388      -1.69808   0.00000  -0.00010   0.01519   0.01475  -1.68332
   D389       1.96323   0.00000  -0.00010  -0.04368  -0.04410   1.91913
   D390      -1.10469   0.00000  -0.00011  -0.00614  -0.00601  -1.11070
   D391       2.55662   0.00000  -0.00011  -0.06501  -0.06486   2.49175
   D392       1.77942   0.00000  -0.00004  -0.00092  -0.00095   1.77847
   D393      -0.84246   0.00000  -0.00004  -0.05979  -0.05981  -0.90227
   D394       2.07877   0.00000  -0.00003  -0.00144  -0.00144   2.07733
   D395      -0.54310   0.00000  -0.00003  -0.06031  -0.06030  -0.60340
   D396       2.02249   0.00000  -0.00002  -0.00279  -0.00279   2.01971
   D397      -0.59938   0.00000  -0.00002  -0.06166  -0.06164  -0.66103
   D398       2.21799   0.00000   0.00001   0.00867   0.00883   2.22682
   D399      -0.40389   0.00000   0.00002  -0.05020  -0.05003  -0.45392
   D400       2.48058   0.00000  -0.00004  -0.00278  -0.00273   2.47785
   D401      -0.14129   0.00000  -0.00003  -0.06165  -0.06159  -0.20288
   D402      -1.52636  -0.00001  -0.00008  -0.01501  -0.01544  -1.54180
   D403       2.13495  -0.00001  -0.00008  -0.07388  -0.07430   2.06065
   D404      -2.62604  -0.00001  -0.00005  -0.01501  -0.01494  -2.64098
   D405       1.03527  -0.00001  -0.00005  -0.07388  -0.07379   0.96148
   D406      -2.98928   0.00000  -0.00003  -0.01995  -0.01989  -3.00916
   D407       0.67203   0.00000  -0.00003  -0.07882  -0.07874   0.59329
   D408       1.89674   0.00001  -0.00003   0.02159   0.02172   1.91846
   D409       2.38845   0.00001   0.00000   0.01982   0.01979   2.40824
   D410       2.62008   0.00001   0.00001   0.02493   0.02486   2.64494
   D411       2.85413   0.00001   0.00003   0.01679   0.01697   2.87110
   D412       2.80580   0.00002   0.00003   0.01769   0.01756   2.82336
   D413      -2.97979   0.00001   0.00008   0.02372   0.02370  -2.95609
   D414      -0.76918   0.00001   0.00000   0.02526   0.02525  -0.74393
   D415      -0.38783   0.00001   0.00000   0.02519   0.02518  -0.36265
   D416      -0.07951   0.00001   0.00000   0.02566   0.02568  -0.05383
   D417       0.22963   0.00001   0.00000   0.02498   0.02496   0.25460
   D418      -0.25032   0.00000  -0.00002   0.02325   0.02330  -0.22703
   D419       0.06372   0.00000  -0.00004   0.02339   0.02343   0.08716
   D420      -2.57916   0.00000   0.00001   0.01894   0.01893  -2.56023
   D421      -2.19599   0.00000   0.00001   0.01992   0.01991  -2.17608
   D422      -1.95446   0.00000   0.00003   0.02180   0.02183  -1.93264
   D423      -1.63981   0.00000   0.00004   0.02573   0.02571  -1.61410
   D424      -1.97871   0.00000  -0.00001   0.01927   0.01928  -1.95942
   D425       1.33917  -0.00002   0.00000   0.01281   0.01272   1.35189
   D426       2.48681   0.00000  -0.00001   0.00110   0.00108   2.48789
   D427       2.95495   0.00000   0.00003   0.00188   0.00180   2.95675
   D428      -3.06964  -0.00006   0.00018  -0.00805  -0.00790  -3.07754
   D429       0.03185  -0.00006   0.00001  -0.00729  -0.00727   0.02458
   D430       0.04286  -0.00002   0.00014   0.00320   0.00342   0.04628
   D431      -3.13883  -0.00002  -0.00003   0.00396   0.00404  -3.13479
   D432      -0.08021  -0.00002  -0.00005  -0.03360  -0.03354  -0.11375
   D433       2.01860  -0.00001  -0.00009  -0.03105  -0.03143   1.98718
   D434      -2.17783   0.00000  -0.00006  -0.02957  -0.02918  -2.20701
   D435       3.09943  -0.00002   0.00010  -0.03440  -0.03420   3.06522
   D436      -1.08494  -0.00001   0.00007  -0.03185  -0.03209  -1.11703
   D437       1.00181   0.00000   0.00010  -0.03037  -0.02984   0.97197
   D438      -2.36851   0.00000   0.00019   0.02060   0.02093  -2.34758
   D439      -0.27789   0.00000   0.00020   0.01978   0.01992  -0.25797
   D440       1.82908   0.00000   0.00020   0.02311   0.02333   1.85241
   D441       0.73498   0.00000   0.00003   0.02160   0.02181   0.75678
   D442       2.82560   0.00000   0.00004   0.02078   0.02080   2.84640
   D443      -1.35062   0.00000   0.00004   0.02411   0.02420  -1.32641
   D444      -0.00150   0.00002  -0.00001   0.00860   0.00861   0.00712
   D445       3.11365   0.00001   0.00002   0.00429   0.00432   3.11797
   D446      -3.12169   0.00001  -0.00001   0.00726   0.00725  -3.11444
   D447      -0.00654   0.00001   0.00002   0.00295   0.00296  -0.00358
   D448       2.42576   0.00000   0.00002  -0.02850  -0.02850   2.39726
   D449      -1.77309   0.00000   0.00001  -0.02957  -0.02961  -1.80270
   D450       0.33490   0.00000   0.00002  -0.02984  -0.02984   0.30506
   D451      -0.69066   0.00000  -0.00002  -0.02440  -0.02442  -0.71508
   D452       1.39367   0.00000  -0.00002  -0.02547  -0.02553   1.36814
   D453      -2.78152   0.00001  -0.00002  -0.02574  -0.02576  -2.80728
   D454       2.06092   0.00000  -0.00004  -0.00226  -0.00232   2.05859
   D455      -2.13780   0.00000  -0.00004  -0.00059  -0.00061  -2.13840
   D456      -0.04441   0.00000  -0.00004  -0.00176  -0.00179  -0.04620
   D457      -1.10582   0.00000   0.00000  -0.00633  -0.00638  -1.11220
   D458       0.97865   0.00000   0.00000  -0.00466  -0.00466   0.97399
   D459       3.07204   0.00000   0.00000  -0.00583  -0.00585   3.06620
   D460      -3.09114   0.00003  -0.00002   0.01108   0.01103  -3.08011
   D461      -0.03079   0.00003  -0.00001   0.01302   0.01301  -0.01778
   D462       0.06390   0.00001   0.00000   0.00155   0.00153   0.06543
   D463       3.12426   0.00001   0.00001   0.00349   0.00351   3.12777
   D464       1.94367  -0.00003  -0.00003  -0.02104  -0.02106   1.92261
   D465      -2.25697  -0.00001  -0.00003  -0.01634  -0.01631  -2.27328
   D466      -0.16407  -0.00002  -0.00003  -0.01818  -0.01817  -0.18224
   D467      -1.11999  -0.00003  -0.00004  -0.02304  -0.02310  -1.14309
   D468       0.96256  -0.00001  -0.00004  -0.01833  -0.01836   0.94420
   D469       3.05546  -0.00002  -0.00004  -0.02017  -0.02021   3.03525
   D470      -1.65066   0.00001   0.00003  -0.02421  -0.02421  -1.67487
   D471       0.45366   0.00002   0.00003  -0.02557  -0.02551   0.42815
   D472       2.54595   0.00001   0.00003  -0.02332  -0.02324   2.52272
   D473       1.41333   0.00001   0.00004  -0.02215  -0.02213   1.39120
   D474      -2.76553   0.00002   0.00004  -0.02352  -0.02342  -2.78895
   D475      -0.67324   0.00001   0.00004  -0.02126  -0.02115  -0.69439
   D476      -0.00036  -0.00001   0.00003   0.00097   0.00099   0.00063
   D477      -3.09828   0.00000  -0.00005  -0.04949  -0.04952   3.13538
   D478       3.11630   0.00000   0.00003  -0.00038  -0.00023   3.11606
   D479       0.01837   0.00000  -0.00005  -0.05085  -0.05074  -0.03238
   D480      -0.35116   0.00000  -0.00039  -0.08342  -0.08384  -0.43500
   D481       1.75609   0.00000  -0.00042  -0.08569  -0.08618   1.66990
   D482      -2.44001  -0.00001  -0.00036  -0.08574  -0.08605  -2.52606
   D483       2.74881   0.00000  -0.00031  -0.03525  -0.03571   2.71311
   D484      -1.42713   0.00000  -0.00034  -0.03752  -0.03805  -1.46518
   D485       0.65996  -0.00001  -0.00029  -0.03757  -0.03792   0.62204
   D486       0.00133  -0.00002   0.00018   0.05311   0.05325   0.05458
   D487       2.09370   0.00000   0.00016   0.06243   0.06250   2.15620
   D488      -2.10381   0.00000   0.00017   0.06094   0.06110  -2.04271
   D489      -3.09867  -0.00002   0.00011   0.00499   0.00514  -3.09353
   D490      -1.00630   0.00000   0.00009   0.01431   0.01439  -0.99191
   D491       1.07938   0.00000   0.00010   0.01282   0.01299   1.09237
         Item               Value     Threshold  Converged?
 Maximum Force            0.000072     0.000450     YES
 RMS     Force            0.000009     0.000300     YES
 Maximum Displacement     0.213440     0.001800     NO 
 RMS     Displacement     0.022976     0.001200     NO 
 Predicted change in Energy=-9.316149D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:31:02 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.824890   -0.608995    1.686022
      2          6           0       -2.089636    1.119422   -1.330164
      3          8           0       -2.662954    0.127734   -1.817138
      4          7           0       -0.786547    1.162005   -0.941977
      5          1           0       -2.618998    2.076993   -1.151224
      6          6           0       -0.201484    2.345033   -0.302802
      7          1           0       -0.926724    3.170119   -0.310471
      8          1           0        0.076297    2.116120    0.737458
      9          1           0        0.702622    2.652179   -0.853103
     10          6           0        0.102467    0.005842   -1.095709
     11          1           0        0.673056   -0.129231   -0.162431
     12          1           0       -0.495090   -0.893499   -1.294507
     13          1           0        0.811251    0.169732   -1.924069
     14          6           0       -1.994993   -4.021022    2.622674
     15          8           0       -2.126495   -3.887201    3.851493
     16          7           0       -2.934950   -3.713288    1.686407
     17          1           0       -1.056734   -4.398685    2.170194
     18          6           0       -4.241929   -3.164286    2.055948
     19          1           0       -4.498406   -2.350302    1.358922
     20          1           0       -5.022007   -3.941203    1.992484
     21          1           0       -4.197690   -2.772353    3.080013
     22          6           0       -2.675951   -3.879144    0.255082
     23          1           0       -3.374677   -4.614485   -0.176947
     24          1           0       -2.816600   -2.915575   -0.259543
     25          1           0       -1.643043   -4.222805    0.104273
     26          6           0        1.533568    0.386558    2.631610
     27          8           0        1.358874    1.392090    3.340394
     28          7           0        1.177966   -0.883353    2.968697
     29          1           0        2.005374    0.439386    1.630631
     30          6           0        1.488649   -2.025298    2.106050
     31          1           0        2.261720   -2.659936    2.571535
     32          1           0        0.581438   -2.633147    1.952564
     33          1           0        1.849020   -1.663343    1.133839
     34          6           0        0.552731   -1.180929    4.259583
     35          1           0        1.308603   -1.513541    4.991385
     36          1           0        0.053740   -0.278268    4.635304
     37          1           0       -0.183925   -1.985797    4.122747
     38          6           0       -4.659748    1.209450    2.935094
     39          8           0       -4.973599    1.887646    1.941447
     40          7           0       -3.529681    1.358775    3.682680
     41          1           0       -5.291581    0.371876    3.295402
     42          6           0       -2.527488    2.385985    3.369723
     43          1           0       -2.589113    2.643009    2.305268
     44          1           0       -2.694974    3.292752    3.974630
     45          1           0       -1.528509    1.984863    3.597950
     46          6           0       -3.257706    0.509611    4.842348
     47          1           0       -4.050695   -0.244413    4.940619
     48          1           0       -2.284323    0.003869    4.724717
     49          1           0       -3.221470    1.119183    5.760792
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486387   0.000000
     3  O    3.676581   1.244702   0.000000
     4  N    3.334813   1.360347   2.314418   0.000000
     5  H    3.986866   1.108686   2.060336   2.058850   0.000000
     6  C    3.913713   2.474411   3.642591   1.466424   2.576051
     7  H    4.367423   2.568559   3.813220   2.109732   2.183021
     8  H    3.455508   3.155905   4.240653   2.115499   3.291393
     9  H    4.844660   3.220813   4.316166   2.108587   3.384210
    10  C    3.439587   2.469888   2.860573   1.466524   3.420398
    11  H    3.144310   3.248878   3.732701   2.098910   4.084453
    12  H    3.276105   2.568209   2.452691   2.105782   3.654495
    13  H    4.537446   3.109627   3.476105   2.121808   4.000193
    14  C    3.542341   6.485219   6.113123   6.405533   7.198436
    15  O    3.940415   7.205360   6.967127   7.089944   7.800087
    16  N    3.296797   5.759284   5.205982   5.940751   6.455953
    17  H    3.896952   6.615807   6.242373   6.378078   7.443581
    18  C    3.536727   5.869266   5.322720   6.296350   6.355381
    19  H    3.207309   5.007230   4.426839   5.604315   5.425307
    20  H    4.628076   6.726717   6.052652   7.252098   7.202502
    21  H    3.500501   6.248158   5.894744   6.579626   6.626598
    22  C    3.669573   5.276593   4.511023   5.515069   6.120172
    23  H    4.681500   5.988233   5.068078   6.375855   6.804127
    24  H    3.176323   4.237442   3.422198   4.605811   5.075419
    25  H    3.949003   5.549455   4.864075   5.551973   6.497401
    26  C    3.628292   5.418519   6.121204   4.330678   5.866106
    27  O    4.108241   5.812115   6.661369   4.795255   6.038807
    28  N    3.276839   5.759214   6.219259   4.830753   6.336745
    29  H    3.971535   5.098810   5.811843   3.864623   5.639618
    30  C    3.627931   5.873752   6.104323   4.962448   6.656680
    31  H    4.657346   6.959964   7.161282   6.020293   7.753634
    32  H    3.155733   5.656210   5.688514   4.965171   6.485499
    33  H    3.861887   5.415543   5.681033   4.386094   6.258979
    34  C    3.550127   6.596892   6.998554   5.859968   7.067584
    35  H    4.643533   7.644770   8.051275   6.837615   8.127092
    36  H    3.512392   6.491102   7.012793   5.821214   6.795196
    37  H    3.244376   6.558076   6.774572   5.993600   7.088766
    38  C    3.592123   4.980563   5.266973   5.480477   4.649224
    39  O    4.026515   4.428414   4.750087   5.135377   3.891608
    40  N    3.281018   5.221076   5.702164   5.380610   4.971097
    41  H    3.945904   5.675134   5.753898   6.234984   5.461008
    42  C    3.506908   4.887212   5.658761   4.808301   4.532418
    43  H    3.397504   3.973307   4.829730   3.998403   3.502657
    44  H    4.606344   5.764602   6.600222   5.688163   5.268607
    45  H    3.235956   5.034895   5.836015   4.673173   4.873634
    46  C    3.642340   6.311590   6.696888   6.323817   6.227965
    47  H    3.959739   6.710330   6.908806   6.872963   6.674522
    48  H    3.133744   6.159867   6.553974   5.974616   6.239915
    49  H    4.641206   7.180718   7.662893   7.131466   7.004023
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098543   0.000000
     8  H    1.100774   1.793075   0.000000
     9  H    1.102079   1.793733   1.791515   0.000000
    10  C    2.488555   3.418842   2.795435   2.724361   0.000000
    11  H    2.628024   3.669730   2.491490   2.866033   1.102191
    12  H    3.399672   4.203287   3.676026   3.768446   1.097911
    13  H    2.895872   3.824470   3.378210   2.705792   1.102459
    14  C    7.231995   7.839454   6.746021   7.993108   5.868675
    15  O    7.733342   8.280529   7.112621   8.538186   6.678238
    16  N    6.937726   7.443237   6.629488   7.758880   5.549594
    17  H    7.233595   7.966014   6.766031   7.870854   5.604438
    18  C    7.227828   7.530950   6.947531   8.169604   6.233493
    19  H    6.578073   6.783718   6.423632   7.547753   5.722295
    20  H    8.247578   8.523253   8.016169   9.183759   7.167729
    21  H    7.321253   7.583375   6.903021   8.301085   6.606540
    22  C    6.721206   7.285036   6.614435   7.436465   4.963603
    23  H    7.649829   8.161517   7.618819   8.359782   5.855089
    24  H    5.874922   6.372590   5.889043   6.613405   4.213645
    25  H    6.736491   7.439116   6.598411   7.326945   4.729505
    26  C    3.931514   4.738890   2.950056   4.238718   4.010723
    27  O    4.076236   4.659845   2.990736   4.427631   4.814483
    28  N    4.798757   5.622570   3.897299   5.228011   4.297297
    29  H    3.498553   4.452187   2.707495   3.572471   3.352900
    30  C    5.268673   6.218195   4.584662   5.590458   4.037114
    31  H    6.275261   7.243042   5.563328   6.509800   5.021694
    32  H    5.521043   6.408881   4.928202   5.985075   4.060251
    33  H    4.726054   5.757876   4.193329   4.887321   3.287478
    34  C    5.815204   6.481187   4.847977   6.391771   5.503663
    35  H    6.722899   7.419098   5.726160   7.202671   6.388739
    36  H    5.597476   6.108467   4.574583   6.255492   5.738257
    37  H    6.192082   6.840221   5.324811   6.859728   5.592935
    38  C    5.625801   5.321032   5.299225   6.722122   6.354112
    39  O    5.293291   4.805525   5.196464   6.372873   6.207411
    40  N    5.285231   5.099177   4.717095   6.337082   6.152717
    41  H    6.538311   6.315415   6.196740   7.638086   6.965027
    42  C    4.347345   4.089149   3.712323   5.323226   5.702791
    43  H    3.548463   3.143799   3.136886   4.561898   5.076012
    44  H    5.041040   4.637223   4.420825   5.938097   6.658663
    45  H    4.136010   4.128284   3.282537   5.023458   5.348555
    46  C    6.259540   6.250066   5.526895   7.260369   6.841423
    47  H    7.001080   6.999441   6.345924   8.034394   7.331347
    48  H    5.924122   6.100929   5.092384   6.859116   6.290797
    49  H    6.884054   6.806793   6.091226   7.841695   7.700629
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.797295   0.000000
    13  H    1.792162   1.798148   0.000000
    14  C    5.479173   5.232153   6.790457   0.000000
    15  O    6.170203   6.172929   7.645010   1.243059   0.000000
    16  N    5.411227   4.773885   6.492104   1.361916   2.317637
    17  H    5.163482   4.960436   6.412706   1.108015   2.057369
    18  C    6.187879   5.515508   7.245057   2.470606   2.867342
    19  H    5.830240   5.018914   6.732092   3.264268   3.768412
    20  H    7.183908   6.370698   8.140398   3.092947   3.441339
    21  H    6.420569   6.031233   7.667216   2.572976   2.475462
    22  C    5.044999   4.008922   5.770847   2.467656   3.638151
    23  H    6.041676   4.835980   6.592660   3.177043   4.279629
    24  H    4.466637   3.247977   5.044906   3.194406   4.280295
    25  H    4.710923   3.789283   5.425138   2.550868   3.793153
    26  C    2.968700   4.600912   4.617679   5.646024   5.757534
    27  O    3.880019   5.490301   5.432184   6.408224   6.346647
    28  N    3.259999   4.579752   5.018230   4.475754   4.552131
    29  H    2.305096   4.072510   3.759592   6.073083   6.381530
    30  C    3.066964   4.096337   4.638845   4.047911   4.425215
    31  H    4.050048   5.066220   5.506481   4.469315   4.732959
    32  H    3.278900   3.837806   4.789282   3.002207   3.537158
    33  H    2.327382   3.461846   3.713211   4.748865   5.304329
    34  C    4.546949   5.659369   6.334719   4.151687   3.829974
    35  H    5.374202   6.568881   7.134722   4.776191   4.328223
    36  H    4.839837   5.986851   6.618149   4.717647   4.288611
    37  H    4.748052   5.535032   6.496204   3.110037   2.731757
    38  C    6.310747   6.297324   7.390826   5.878466   5.764808
    39  O    6.354432   6.185726   7.166445   6.651956   6.715886
    40  N    5.887448   6.249310   7.189795   5.693953   5.433019
    41  H    6.912642   6.758311   8.032951   5.533318   5.335424
    42  C    5.389425   6.053156   6.639517   6.472355   6.304425
    43  H    4.941316   5.463534   5.963797   6.697988   6.726699
    44  H    6.337892   7.080112   7.539331   7.470546   7.203476
    45  H    4.843217   5.769667   6.265930   6.102412   5.907878
    46  C    6.395844   6.874719   7.902932   5.200773   4.646869
    47  H    6.954726   7.206972   8.422232   4.884829   4.261297
    48  H    5.713845   6.343318   7.335970   4.549950   3.990972
    49  H    7.197947   7.826959   8.730486   6.146035   5.468846
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057064   0.000000
    18  C    1.464977   3.417932   0.000000
    19  H    2.099850   4.086458   1.101905   0.000000
    20  H    2.121658   3.995529   1.102791   1.790677   0.000000
    21  H    2.102858   3.652167   1.097396   1.797418   1.796783
    22  C    1.463995   2.561141   2.491271   2.622434   2.919999
    23  H    2.116034   3.305828   2.800183   2.957733   2.805964
    24  H    2.106436   3.346695   2.730370   2.401548   3.314718
    25  H    2.105179   2.154698   3.418144   3.637789   3.880984
    26  C    6.137573   5.460872   6.804135   6.744987   7.881216
    27  O    6.872953   6.382601   7.333441   7.227687   8.424756
    28  N    5.154501   4.241350   5.950717   6.079845   6.981626
    29  H    6.454039   5.751049   7.224690   7.082043   8.288822
    30  C    4.753277   3.480813   5.842887   6.042239   6.787653
    31  H    5.375721   3.767819   6.543520   6.874998   7.418195
    32  H    3.688161   2.418284   4.853624   5.122229   5.754233
    33  H    5.233926   4.123049   6.340566   6.388458   7.289508
    34  C    5.019761   4.160514   5.637241   5.940981   6.620918
    35  H    5.811154   4.677391   6.492315   6.900457   7.413741
    36  H    5.424724   4.928261   5.782296   5.979133   6.794468
    37  H    4.060557   3.224328   4.704029   5.136763   5.636370
    38  C    5.363535   6.709543   4.480741   3.896432   5.248712
    39  O    5.965869   7.410270   5.105925   4.304108   5.829274
    40  N    5.483123   6.446040   4.859181   4.482804   5.759650
    41  H    4.983086   6.477521   3.891331   3.433560   4.513637
    42  C    6.340404   7.045121   5.955739   5.510014   6.939217
    43  H    6.395710   7.207765   6.043065   5.429008   7.026283
    44  H    7.374155   8.068335   6.911422   6.475983   7.853286
    45  H    6.172602   6.558258   6.021143   5.712022   7.064016
    46  C    5.281763   6.006334   4.714896   4.674687   5.571735
    47  H    4.885477   5.822116   4.108961   4.178967   4.827132
    48  H    4.844781   5.235937   4.581676   4.666140   5.524817
    49  H    6.327361   6.930032   5.754591   5.748422   6.561219
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.394247   0.000000
    23  H    3.831265   1.102539   0.000000
    24  H    3.616706   1.101402   1.790130   0.000000
    25  H    4.181514   1.098975   1.797513   1.794004   0.000000
    26  C    6.559505   6.447027   7.549125   6.179548   6.142029
    27  O    6.948797   7.320169   8.417668   6.996436   7.142201
    28  N    5.698982   5.584904   6.674053   5.523407   5.226372
    29  H    7.134002   6.515876   7.599598   6.170896   6.113652
    30  C    5.817315   4.920033   5.963883   4.992374   4.317829
    31  H    6.480367   5.588651   6.568362   5.819767   4.876178
    32  H    4.912289   3.878729   4.910332   4.064462   3.300229
    33  H    6.448271   5.114426   6.141206   5.027685   4.450321
    34  C    5.146894   5.808682   6.848112   5.897787   5.598306
    35  H    5.962986   6.626109   7.632864   6.823140   6.319508
    36  H    5.168563   6.293161   7.329023   6.257298   6.242490
    37  H    4.220933   4.975319   5.964752   5.196146   4.825077
    38  C    4.011142   6.083725   6.727141   5.533420   6.828137
    39  O    4.859419   6.432641   7.022952   5.706832   7.197598
    40  N    4.227963   6.317680   7.113409   5.858300   6.893362
    41  H    3.336041   5.844334   6.371462   5.437877   6.678790
    42  C    5.429730   6.998205   7.893236   6.431307   7.424387
    43  H    5.702096   6.837345   7.710365   6.126000   7.271784
    44  H    6.312210   8.079078   8.956673   7.515740   8.518793
    45  H    5.479407   6.846750   7.823656   6.368182   7.124188
    46  C    3.841964   6.375157   7.173797   6.160826   6.888560
    47  H    3.142283   6.087319   6.763432   5.974930   6.709295
    48  H    3.751457   5.933701   6.822344   5.800804   6.294801
    49  H    4.825312   7.456119   8.255615   7.258625   7.938796
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242573   0.000000
    28  N    1.361159   2.312688   0.000000
    29  H    1.107858   2.061285   2.055399   0.000000
    30  C    2.468862   3.635792   1.464487   2.562752   0.000000
    31  H    3.132881   4.221989   2.118610   3.249125   1.103213
    32  H    3.238251   4.328164   2.109538   3.401719   1.102756
    33  H    2.558304   3.800631   2.103664   2.166269   1.098213
    34  C    2.463605   2.848718   1.464874   3.412767   2.495317
    35  H    3.038013   3.342302   2.122609   3.948934   2.935893
    36  H    2.578115   2.484001   2.099426   3.654034   3.392374
    37  H    3.286539   3.795052   2.098085   4.109159   2.620331
    38  C    6.255112   6.035018   6.201602   6.835091   6.996692
    39  O    6.713628   6.504063   6.824619   7.134432   7.556379
    40  N    5.261791   4.900636   5.262970   5.974363   6.254706
    41  H    6.857368   6.728404   6.598286   7.484756   7.289206
    42  C    4.586360   4.011546   4.957800   5.230729   6.098004
    43  H    4.711111   4.268827   5.202524   5.140078   6.201687
    44  H    5.303795   4.521997   5.783721   5.977399   7.019683
    45  H    3.586741   2.958833   3.993449   4.329800   5.235495
    46  C    5.278145   4.934313   5.012594   6.166041   6.036636
    47  H    6.075660   5.873866   5.624555   6.935386   6.472300
    48  H    4.370794   4.137196   3.982238   5.307028   5.020982
    49  H    5.739243   5.187712   5.582202   6.696286   6.740187
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.790863   0.000000
    33  H    1.797355   1.793765   0.000000
    34  C    2.820924   2.726187   3.418093   0.000000
    35  H    2.842240   3.319144   3.898095   1.103407   0.000000
    36  H    3.847943   3.608464   4.171537   1.097705   1.796489
    37  H    2.973534   2.390510   3.629106   1.099636   1.790306
    38  C    7.937950   6.572743   7.339041   5.885416   6.874898
    39  O    8.568976   7.162131   7.733685   6.732772   7.767641
    40  N    7.136176   5.985820   6.675344   4.842417   5.776841
    41  H    8.171183   6.732439   7.733218   6.123466   7.070614
    42  C    7.002495   6.071692   6.367893   4.796090   5.705408
    43  H    7.191850   6.165599   6.293961   5.320999   6.299549
    44  H    7.872229   7.066817   7.299374   5.535577   6.337419
    45  H    6.082230   5.337152   5.548780   3.845979   4.714838
    46  C    6.757713   5.741673   6.674835   4.209153   4.996652
    47  H    7.161976   6.007594   7.163210   4.746831   5.507753
    48  H    5.691973   4.780300   5.723506   3.109497   3.909317
    49  H    7.383663   6.560845   7.406822   4.667841   5.295732
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.798570   0.000000
    38  C    5.226949   5.626110   0.000000
    39  O    6.100998   6.534722   1.243296   0.000000
    40  N    4.053185   4.751200   1.363171   2.323036   0.000000
    41  H    5.548917   5.686059   1.109308   2.057150   2.056270
    42  C    3.919525   5.017151   2.473797   2.876069   1.468841
    43  H    4.576854   5.523948   2.596017   2.527590   2.105038
    44  H    4.554570   5.847254   3.046493   3.361590   2.126555
    45  H    2.949810   4.224862   3.293221   3.823885   2.098536
    46  C    3.410175   4.024054   2.468424   3.641222   1.462833
    47  H    4.115914   4.318940   2.550842   3.793739   2.103350
    48  H    2.356721   2.955132   3.209178   4.304348   2.114835
    49  H    3.734514   4.642281   3.171966   4.271755   2.114462
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420873   0.000000
    43  H    3.666298   1.096778   0.000000
    44  H    3.966766   1.102810   1.794475   0.000000
    45  H    4.105360   1.100430   1.796959   1.792513   0.000000
    46  C    2.559036   2.494519   3.381594   2.969087   2.591335
    47  H    2.150895   3.421531   4.173548   3.909304   3.624067
    48  H    3.349921   2.751294   3.593284   3.398238   2.401083
    49  H    3.304842   2.793494   3.829173   2.862163   2.879827
                   46         47         48         49
    46  C    0.000000
    47  H    1.098655   0.000000
    48  H    1.103216   1.796755   0.000000
    49  H    1.102919   1.794351   1.787630   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2123884      0.1936945      0.1823237
 Leave Link  202 at Mon Nov 14 02:31:03 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1844.0042513464 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1828309412 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1843.8214204053 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4047
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.17D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     226
 GePol: Fraction of low-weight points (<1% of avg)   =       5.58%
 GePol: Cavity surface area                          =    470.135 Ang**2
 GePol: Cavity volume                                =    459.120 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040751014 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1843.8173453038 Hartrees.
 Leave Link  301 at Mon Nov 14 02:31:03 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11967 LenP2D=   37448.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.48D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:31:04 2016, MaxMem=  2952790016 cpu:        14.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:31:04 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.007567    0.007188    0.011944
         Rot=    1.000000   -0.000733   -0.000334   -0.000273 Ang=  -0.10 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50792539585    
 Leave Link  401 at Mon Nov 14 02:31:11 2016, MaxMem=  2952790016 cpu:        79.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49134627.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   1846.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.19D-15 for   3403    443.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.55D-15 for   2112.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.19D-10 for   2659   1831.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.01D-14 for     11.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.13D-14 for   1871    979.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for    586.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.64D-15 for   2411    151.
 E= -1013.44252639133    
 DIIS: error= 2.14D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44252639133     IErMin= 1 ErrMin= 2.14D-03
 ErrMax= 2.14D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.82D-03 BMatP= 4.82D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.14D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.324 Goal=   None    Shift=    0.000
 GapD=    0.324 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.02D-04 MaxDP=1.84D-02              OVMax= 2.20D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.01D-04    CP:  9.99D-01
 E= -1013.45081775791     Delta-E=       -0.008291366583 Rises=F Damp=F
 DIIS: error= 5.97D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45081775791     IErMin= 2 ErrMin= 5.97D-04
 ErrMax= 5.97D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-04 BMatP= 4.82D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.97D-03
 Coeff-Com:  0.327D-01 0.967D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.325D-01 0.968D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.02D-04 MaxDP=5.46D-03 DE=-8.29D-03 OVMax= 1.02D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.95D-05    CP:  9.99D-01  9.41D-01
 E= -1013.45033762875     Delta-E=        0.000480129166 Rises=F Damp=F
 DIIS: error= 1.68D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45081775791     IErMin= 2 ErrMin= 5.97D-04
 ErrMax= 1.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-04 BMatP= 1.42D-04
 IDIUse=3 WtCom= 1.96D-01 WtEn= 8.04D-01
 Coeff-Com:  0.335D-02 0.702D+00 0.294D+00
 Coeff-En:   0.000D+00 0.781D+00 0.219D+00
 Coeff:      0.658D-03 0.766D+00 0.233D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.78D-05 MaxDP=3.77D-03 DE= 4.80D-04 OVMax= 5.83D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.44D-05    CP:  9.99D-01  9.60D-01  4.80D-01
 E= -1013.45093204099     Delta-E=       -0.000594412248 Rises=F Damp=F
 DIIS: error= 1.50D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45093204099     IErMin= 4 ErrMin= 1.50D-04
 ErrMax= 1.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-05 BMatP= 1.42D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.50D-03
 Coeff-Com: -0.113D-03 0.281D+00 0.348D-01 0.684D+00
 Coeff-En:   0.000D+00 0.397D-01 0.000D+00 0.960D+00
 Coeff:     -0.113D-03 0.281D+00 0.347D-01 0.685D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.59D-05 MaxDP=8.41D-04 DE=-5.94D-04 OVMax= 7.77D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.01D-06    CP:  9.99D-01  9.69D-01  3.61D-01  7.09D-01
 E= -1013.45094370618     Delta-E=       -0.000011665189 Rises=F Damp=F
 DIIS: error= 7.42D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45094370618     IErMin= 5 ErrMin= 7.42D-05
 ErrMax= 7.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-06 BMatP= 1.52D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-04 0.160D+00 0.114D-01 0.457D+00 0.372D+00
 Coeff:     -0.126D-04 0.160D+00 0.114D-01 0.457D+00 0.372D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.74D-06 MaxDP=3.16D-04 DE=-1.17D-05 OVMax= 3.23D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.53D-06    CP:  9.99D-01  9.70D-01  3.57D-01  7.16D-01  6.14D-01
 E= -1013.45094572329     Delta-E=       -0.000002017109 Rises=F Damp=F
 DIIS: error= 4.79D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45094572329     IErMin= 6 ErrMin= 4.79D-06
 ErrMax= 4.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-08 BMatP= 2.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-04 0.481D-01 0.218D-02 0.146D+00 0.146D+00 0.658D+00
 Coeff:     -0.139D-04 0.481D-01 0.218D-02 0.146D+00 0.146D+00 0.658D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.67D-07 MaxDP=3.39D-05 DE=-2.02D-06 OVMax= 4.08D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.97D-07    CP:  9.99D-01  9.69D-01  3.58D-01  7.21D-01  6.04D-01
                    CP:  9.15D-01
 E= -1013.45094573788     Delta-E=       -0.000000014592 Rises=F Damp=F
 DIIS: error= 2.65D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45094573788     IErMin= 7 ErrMin= 2.65D-06
 ErrMax= 2.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-09 BMatP= 1.87D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-04 0.137D-01 0.286D-03 0.441D-01 0.500D-01 0.359D+00
 Coeff-Com:  0.533D+00
 Coeff:     -0.124D-04 0.137D-01 0.286D-03 0.441D-01 0.500D-01 0.359D+00
 Coeff:      0.533D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.18D-07 MaxDP=1.08D-05 DE=-1.46D-08 OVMax= 1.31D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.56D-07    CP:  9.99D-01  9.69D-01  3.58D-01  7.21D-01  6.10D-01
                    CP:  9.15D-01  7.08D-01
 E= -1013.45094574138     Delta-E=       -0.000000003495 Rises=F Damp=F
 DIIS: error= 7.73D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45094574138     IErMin= 8 ErrMin= 7.73D-07
 ErrMax= 7.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D-10 BMatP= 3.63D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.526D-05 0.379D-02 0.656D-06 0.129D-01 0.162D-01 0.149D+00
 Coeff-Com:  0.303D+00 0.515D+00
 Coeff:     -0.526D-05 0.379D-02 0.656D-06 0.129D-01 0.162D-01 0.149D+00
 Coeff:      0.303D+00 0.515D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.85D-08 MaxDP=5.49D-06 DE=-3.49D-09 OVMax= 7.92D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.08D-08    CP:  9.99D-01  9.69D-01  3.58D-01  7.21D-01  6.10D-01
                    CP:  9.18D-01  7.39D-01  6.89D-01
 E= -1013.45094574139     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 6.92D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45094574139     IErMin= 9 ErrMin= 6.92D-07
 ErrMax= 6.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-10 BMatP= 3.81D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.214D-05 0.341D-03-0.416D-04 0.163D-02 0.312D-02 0.478D-01
 Coeff-Com:  0.142D+00 0.442D+00 0.363D+00
 Coeff:     -0.214D-05 0.341D-03-0.416D-04 0.163D-02 0.312D-02 0.478D-01
 Coeff:      0.142D+00 0.442D+00 0.363D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.27D-08 MaxDP=2.76D-06 DE=-1.05D-11 OVMax= 3.85D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.84D-08    CP:  9.99D-01  9.69D-01  3.58D-01  7.21D-01  6.10D-01
                    CP:  9.21D-01  7.40D-01  7.49D-01  4.84D-01
 E= -1013.45094574164     Delta-E=       -0.000000000252 Rises=F Damp=F
 DIIS: error= 5.12D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45094574164     IErMin=10 ErrMin= 5.12D-08
 ErrMax= 5.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-12 BMatP= 2.84D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.746D-06-0.496D-05-0.156D-04 0.210D-03 0.803D-03 0.168D-01
 Coeff-Com:  0.558D-01 0.194D+00 0.174D+00 0.559D+00
 Coeff:     -0.746D-06-0.496D-05-0.156D-04 0.210D-03 0.803D-03 0.168D-01
 Coeff:      0.558D-01 0.194D+00 0.174D+00 0.559D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.94D-09 MaxDP=2.69D-07 DE=-2.52D-10 OVMax= 2.43D-07

 Error on total polarization charges =  0.04312
 SCF Done:  E(RB97D) =  -1013.45094574     A.U. after   10 cycles
            NFock= 10  Conv=0.49D-08     -V/T= 2.0213
 KE= 9.923130927301D+02 PE=-6.019101888881D+03 EE= 2.169520505105D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.56
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:33:12 2016, MaxMem=  2952790016 cpu:      1392.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11967 LenP2D=   37448.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 02:33:20 2016, MaxMem=  2952790016 cpu:        97.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:33:20 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:33:57 2016, MaxMem=  2952790016 cpu:       437.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.05941324D+00-2.67898477D+00 3.12814057D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000222135    0.001356064   -0.000197100
      2        6           0.000352708   -0.000019298   -0.000905454
      3        8          -0.000085581    0.000922166    0.000808222
      4        7           0.001464886   -0.000012382    0.000881663
      5        1           0.000087726   -0.000203295    0.000293600
      6        6          -0.001266139   -0.000535401   -0.001581775
      7        1          -0.000718105   -0.000193408   -0.000180507
      8        1          -0.000174697   -0.001552807    0.001121842
      9        1          -0.000017547    0.000040501    0.000092083
     10        6           0.000130153    0.000551167    0.001086912
     11        1           0.000069591   -0.000201846   -0.000894289
     12        1           0.000121238    0.000232371   -0.000117109
     13        1          -0.000133691    0.000253449    0.000028979
     14        6          -0.000524116   -0.000058036   -0.000076465
     15        8           0.000014078    0.000129753   -0.000557638
     16        7           0.000424770   -0.000022890    0.000306456
     17        1           0.000045966   -0.000041470   -0.000086111
     18        6           0.000134264   -0.000022596   -0.000264800
     19        1          -0.000002793   -0.000089293   -0.000053411
     20        1           0.000022490   -0.000058852   -0.000011003
     21        1           0.000122481    0.000090871    0.000047243
     22        6           0.000111802   -0.000618992    0.000703186
     23        1           0.000018298    0.000163365    0.000000338
     24        1          -0.000178676    0.000319142   -0.000520940
     25        1           0.000008898    0.000005767    0.000003870
     26        6           0.000572071   -0.001144727    0.001053869
     27        8          -0.000060331    0.000924447   -0.001287422
     28        7          -0.000235628   -0.001120828   -0.000364252
     29        1          -0.000210635    0.000577910   -0.000031025
     30        6          -0.000297279    0.000548377    0.000157479
     31        1          -0.000351231   -0.000020523    0.000149622
     32        1           0.000458229    0.000250874    0.000181774
     33        1           0.000182815    0.000046092   -0.000099588
     34        6           0.000104495    0.000472207   -0.000053582
     35        1           0.000015910   -0.000060765    0.000051668
     36        1          -0.000190168   -0.000406751   -0.000078422
     37        1          -0.000168446   -0.000071866    0.000171822
     38        6           0.000659743   -0.000629271   -0.000127037
     39        8           0.001723374   -0.000262102    0.001711286
     40        7           0.000326625    0.001701801   -0.001732932
     41        1          -0.000122925    0.000143771    0.000017873
     42        6          -0.001408782   -0.001276410    0.001082446
     43        1           0.000185559   -0.000089632   -0.001186652
     44        1           0.000066927   -0.000049010    0.000160173
     45        1          -0.000232120    0.000197825   -0.000266846
     46        6          -0.000634396    0.000020236    0.001418342
     47        1           0.000286104   -0.000416331   -0.000161458
     48        1          -0.000469546    0.000174272   -0.000564705
     49        1          -0.000006232    0.000056352   -0.000130226
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001732932 RMS     0.000595221
 Leave Link  716 at Mon Nov 14 02:33:57 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001944055 RMS     0.000176930
 Search for a local minimum.
 Step number  52 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .17693D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   50   52   51
 ITU=  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0
 Use linear search instead of GDIIS.
 Energy rises -- skip Quadratic/GDIIS search.
 Quartic linear search produced a step of -0.96650.
 Iteration  1 RMS(Cart)=  0.02222213 RMS(Int)=  0.00162498
 Iteration  2 RMS(Cart)=  0.00041228 RMS(Int)=  0.00000575
 Iteration  3 RMS(Cart)=  0.00000022 RMS(Int)=  0.00000567
 ITry= 1 IFail=0 DXMaxC= 2.06D-01 DCOld= 1.00D+10 DXMaxT= 6.67D-01 DXLimC= 3.00D+00 Rises=T
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58832  -0.00027   0.00205   0.00000   0.00205   6.59037
    R2        6.30188  -0.00005  -0.03716   0.00000  -0.03715   6.26473
    R3        7.39585  -0.00063  -0.12881   0.00000  -0.12877   7.26707
    R4        6.52996  -0.00129  -0.16184   0.00000  -0.16187   6.36810
    R5        6.49988   0.00014   0.02576   0.00000   0.02577   6.52564
    R6        5.94189   0.00054   0.03415   0.00000   0.03414   5.97602
    R7        6.69405  -0.00016   0.00408   0.00000   0.00408   6.69813
    R8        6.23004  -0.00002  -0.00041   0.00000  -0.00041   6.22964
    R9        6.68345  -0.00019  -0.02634   0.00000  -0.02633   6.65711
   R10        6.06094   0.00000   0.01271   0.00000   0.01271   6.07364
   R11        6.93449   0.00007   0.02689   0.00000   0.02689   6.96138
   R12        6.00238   0.00017   0.02941   0.00000   0.02941   6.03179
   R13        6.85648   0.00002   0.01271   0.00000   0.01271   6.86919
   R14        6.19233  -0.00015   0.00358   0.00000   0.00358   6.19591
   R15        6.85580  -0.00012   0.02082   0.00000   0.02083   6.87662
   R16        5.96347   0.00005   0.00125   0.00000   0.00125   5.96472
   R17        6.70877  -0.00024  -0.02222   0.00000  -0.02222   6.68655
   R18        6.78813  -0.00105  -0.10894   0.00000  -0.10893   6.67920
   R19        6.20022  -0.00010   0.00832   0.00000   0.00832   6.20854
   R20        6.62709  -0.00045  -0.01603   0.00000  -0.01602   6.61108
   R21        6.11507  -0.00007  -0.05282   0.00000  -0.05281   6.06226
   R22        6.88302   0.00048   0.05215   0.00000   0.05216   6.93518
   R23        5.92192  -0.00009   0.04467   0.00000   0.04467   5.96659
   R24        2.35215  -0.00100  -0.00220   0.00000  -0.00220   2.34995
   R25        2.57068  -0.00002   0.00080   0.00000   0.00080   2.57148
   R26        2.09511  -0.00018  -0.00043   0.00000  -0.00043   2.09469
   R27        2.77114  -0.00126  -0.00587   0.00000  -0.00590   2.76524
   R28        2.77133  -0.00059  -0.00301   0.00000  -0.00302   2.76830
   R29        2.07595   0.00032   0.00060   0.00000   0.00060   2.07654
   R30        2.08016   0.00089   0.00240   0.00000   0.00239   2.08256
   R31        2.08263  -0.00004   0.00038   0.00000   0.00038   2.08301
   R32        2.08284  -0.00049  -0.00168   0.00000  -0.00168   2.08116
   R33        2.07475  -0.00021  -0.00009   0.00000  -0.00009   2.07466
   R34        2.08335  -0.00007   0.00016   0.00000   0.00016   2.08351
   R35        2.34904  -0.00052  -0.00020   0.00000  -0.00020   2.34884
   R36        2.57365  -0.00044  -0.00207   0.00000  -0.00207   2.57158
   R37        2.09384   0.00007   0.00025   0.00000   0.00025   2.09409
   R38        2.76841  -0.00005   0.00020   0.00000   0.00020   2.76860
   R39        2.76655  -0.00019  -0.00157   0.00000  -0.00158   2.76497
   R40        2.08230   0.00000  -0.00054   0.00000  -0.00055   2.08175
   R41        2.08397   0.00002   0.00003   0.00000   0.00003   2.08401
   R42        2.07378   0.00010   0.00052   0.00000   0.00052   2.07430
   R43        2.08350  -0.00012  -0.00028   0.00000  -0.00028   2.08321
   R44        2.08135   0.00049   0.00209   0.00000   0.00210   2.08345
   R45        2.07676  -0.00001  -0.00010   0.00000  -0.00010   2.07666
   R46        2.34812   0.00001   0.00044   0.00000   0.00044   2.34856
   R47        2.57222   0.00051  -0.00048   0.00000  -0.00048   2.57173
   R48        2.09355  -0.00002  -0.00005   0.00000  -0.00005   2.09349
   R49        2.76748  -0.00050  -0.00259   0.00000  -0.00259   2.76489
   R50        2.76821   0.00010   0.00048   0.00000   0.00048   2.76869
   R51        2.08477  -0.00017  -0.00042   0.00000  -0.00042   2.08435
   R52        2.08391  -0.00020  -0.00146   0.00000  -0.00147   2.08243
   R53        2.07532   0.00016   0.00071   0.00000   0.00071   2.07603
   R54        2.08514   0.00006   0.00006   0.00000   0.00006   2.08520
   R55        2.07436  -0.00028  -0.00056   0.00000  -0.00056   2.07380
   R56        2.07801   0.00014   0.00016   0.00000   0.00016   2.07817
   R57        2.34949  -0.00194  -0.00125   0.00000  -0.00125   2.34824
   R58        2.57602  -0.00138  -0.00379   0.00000  -0.00382   2.57220
   R59        2.09629  -0.00005  -0.00046   0.00000  -0.00046   2.09582
   R60        2.77571  -0.00114  -0.00616   0.00000  -0.00616   2.76955
   R61        2.76435   0.00047   0.00077   0.00000   0.00075   2.76511
   R62        2.07261   0.00113   0.00222   0.00000   0.00222   2.07483
   R63        2.08401   0.00004  -0.00010   0.00000  -0.00010   2.08391
   R64        2.07951  -0.00005   0.00041   0.00000   0.00041   2.07992
   R65        2.07616   0.00004   0.00001   0.00000   0.00001   2.07617
   R66        2.08478  -0.00012  -0.00063   0.00000  -0.00064   2.08414
   R67        2.08422  -0.00007  -0.00115   0.00000  -0.00115   2.08307
    A1        0.67240  -0.00022   0.00713   0.00000   0.00713   0.67953
    A2        0.94385  -0.00008   0.01222   0.00000   0.01222   0.95606
    A3        0.72916  -0.00005  -0.00155   0.00000  -0.00155   0.72761
    A4        1.01937  -0.00008   0.00017   0.00000   0.00017   1.01954
    A5        2.34989   0.00009  -0.00812   0.00000  -0.00812   2.34177
    A6        2.02789   0.00015  -0.00544   0.00000  -0.00544   2.02245
    A7        1.97880   0.00013  -0.00097   0.00000  -0.00098   1.97783
    A8        1.68870   0.00012  -0.00432   0.00000  -0.00432   1.68437
    A9        1.65774   0.00017  -0.00505   0.00000  -0.00505   1.65269
   A10        1.37596   0.00008  -0.00470   0.00000  -0.00470   1.37125
   A11        1.73121  -0.00013   0.00261   0.00000   0.00262   1.73383
   A12        2.03727  -0.00005   0.00139   0.00000   0.00140   2.03867
   A13        1.94234   0.00000   0.00061   0.00000   0.00062   1.94296
   A14        2.03641   0.00001  -0.00788   0.00000  -0.00788   2.02853
   A15        2.43085  -0.00005   0.00281   0.00000   0.00281   2.43366
   A16        1.56073   0.00012  -0.00266   0.00000  -0.00267   1.55806
   A17        1.76164  -0.00010   0.00456   0.00000   0.00456   1.76620
   A18        1.54755  -0.00010   0.00970   0.00000   0.00970   1.55724
   A19        1.69181  -0.00015   0.00896   0.00000   0.00897   1.70078
   A20        2.17434  -0.00006   0.00121   0.00000   0.00121   2.17556
   A21        2.39029  -0.00015   0.00565   0.00000   0.00566   2.39596
   A22        0.63268  -0.00006   0.00895   0.00000   0.00895   0.64163
   A23        0.65727  -0.00009   0.00195   0.00000   0.00195   0.65922
   A24        2.39625   0.00001  -0.00393   0.00000  -0.00393   2.39232
   A25        2.22054   0.00008  -0.00136   0.00000  -0.00136   2.21919
   A26        2.31708   0.00011   0.00203   0.00000   0.00203   2.31911
   A27        2.05726   0.00010  -0.00250   0.00000  -0.00250   2.05476
   A28        1.81128   0.00011   0.00068   0.00000   0.00068   1.81196
   A29        1.57096   0.00004   0.00010   0.00000   0.00010   1.57106
   A30        1.34021  -0.00013   0.00051   0.00000   0.00051   1.34072
   A31        1.63845  -0.00007   0.00127   0.00000   0.00127   1.63972
   A32        1.58497  -0.00004   0.00346   0.00000   0.00346   1.58843
   A33        1.74140  -0.00005  -0.00309   0.00000  -0.00308   1.73831
   A34        2.03566  -0.00005   0.00139   0.00000   0.00139   2.03704
   A35        1.82442   0.00012  -0.00963   0.00000  -0.00963   1.81478
   A36        1.89953  -0.00007  -0.00594   0.00000  -0.00593   1.89360
   A37        1.55799   0.00000  -0.00292   0.00000  -0.00292   1.55507
   A38        1.58220  -0.00007  -0.00347   0.00000  -0.00347   1.57874
   A39        2.26827  -0.00002  -0.00675   0.00000  -0.00675   2.26153
   A40        2.35454  -0.00008   0.00150   0.00000   0.00150   2.35604
   A41        0.67880  -0.00012   0.00913   0.00000   0.00914   0.68793
   A42        0.73260   0.00005   0.01262   0.00000   0.01262   0.74522
   A43        2.64942   0.00003   0.00697   0.00000   0.00697   2.65640
   A44        2.58762  -0.00004   0.00917   0.00000   0.00917   2.59680
   A45        2.65082  -0.00009   0.00519   0.00000   0.00520   2.65601
   A46        2.35143  -0.00010   0.00013   0.00000   0.00013   2.35156
   A47        2.17812   0.00000   0.01134   0.00000   0.01134   2.18947
   A48        1.94589  -0.00010   0.00945   0.00000   0.00945   1.95534
   A49        1.09436   0.00008   0.00311   0.00000   0.00310   1.09746
   A50        1.45251   0.00015   0.00487   0.00000   0.00487   1.45738
   A51        1.54544   0.00011   0.01090   0.00000   0.01090   1.55634
   A52        1.78315   0.00007   0.00697   0.00000   0.00697   1.79012
   A53        1.78460   0.00016   0.00050   0.00000   0.00050   1.78509
   A54        1.69306  -0.00003  -0.02252   0.00000  -0.02252   1.67054
   A55        1.64295  -0.00008  -0.02110   0.00000  -0.02110   1.62185
   A56        1.24768   0.00006  -0.01828   0.00000  -0.01828   1.22939
   A57        1.22094   0.00004  -0.01598   0.00000  -0.01598   1.20495
   A58        1.95167   0.00004  -0.01923   0.00000  -0.01923   1.93244
   A59        1.98882   0.00004  -0.00873   0.00000  -0.00873   1.98009
   A60        0.83487  -0.00012   0.00346   0.00000   0.00347   0.83834
   A61        0.76873   0.00000   0.00533   0.00000   0.00534   0.77407
   A62        2.60337  -0.00004  -0.00547   0.00000  -0.00546   2.59791
   A63        2.75945  -0.00002   0.00274   0.00000   0.00275   2.76220
   A64        2.60369   0.00006   0.00706   0.00000   0.00706   2.61075
   A65        2.37943   0.00004   0.00790   0.00000   0.00790   2.38734
   A66        2.18502  -0.00002   0.00819   0.00000   0.00819   2.19321
   A67        0.85778  -0.00008  -0.00319   0.00000  -0.00319   0.85458
   A68        1.23374   0.00000  -0.00294   0.00000  -0.00294   1.23080
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   A295       1.13631   0.00008   0.01328   0.00000   0.01328   1.14959
   A296       1.93189   0.00000   0.00015   0.00000   0.00015   1.93204
   A297       1.90562   0.00004   0.00135   0.00000   0.00135   1.90697
   A298       1.90177   0.00001   0.00051   0.00000   0.00052   1.90229
   A299       1.90951   0.00006   0.00023   0.00000   0.00023   1.90975
   A300       1.89737  -0.00005   0.00043   0.00000   0.00043   1.89780
   A301       1.91766  -0.00006  -0.00272   0.00000  -0.00273   1.91494
   A302       1.76956  -0.00056  -0.05621   0.00000  -0.05621   1.71335
   A303       1.75200   0.00016   0.02181   0.00000   0.02180   1.77381
   A304       2.19915  -0.00058  -0.00749   0.00000  -0.00752   2.19163
   A305       2.12665   0.00025   0.00349   0.00000   0.00348   2.13013
   A306       1.95709   0.00033   0.00403   0.00000   0.00406   1.96115
   A307       2.12397   0.00017  -0.00054   0.00000  -0.00052   2.12344
   A308       2.12387  -0.00049  -0.00136   0.00000  -0.00135   2.12252
   A309       2.03533   0.00032   0.00117   0.00000   0.00117   2.03651
   A310       1.31340  -0.00031   0.01122   0.00000   0.01123   1.32462
   A311       3.05190   0.00009  -0.01979   0.00000  -0.01978   3.03212
   A312       1.90957   0.00000  -0.00084   0.00000  -0.00082   1.90875
   A313       1.93320  -0.00014  -0.00216   0.00000  -0.00220   1.93100
   A314       1.89684   0.00021   0.00506   0.00000   0.00506   1.90189
   A315       1.90830   0.00023   0.00336   0.00000   0.00338   1.91167
   A316       1.91528  -0.00020  -0.00385   0.00000  -0.00385   1.91143
   A317       1.90057  -0.00009  -0.00163   0.00000  -0.00161   1.89896
   A318       1.72204  -0.00019   0.00928   0.00000   0.00928   1.73132
   A319       1.91252   0.00013   0.00112   0.00000   0.00112   1.91364
   A320       1.92370  -0.00054  -0.00863   0.00000  -0.00863   1.91507
   A321       1.92350   0.00001   0.00053   0.00000   0.00053   1.92403
   A322       1.90896  -0.00007  -0.00346   0.00000  -0.00345   1.90550
   A323       1.90556   0.00019   0.00528   0.00000   0.00528   1.91085
   A324       1.88933   0.00029   0.00522   0.00000   0.00522   1.89454
   A325       2.92265   0.00005   0.01124   0.00000   0.01124   2.93389
   A326       3.34955   0.00002   0.00392   0.00000   0.00392   3.35347
   A327       3.06777  -0.00007   0.00426   0.00000   0.00427   3.07203
   A328       3.17397   0.00010   0.01988   0.00000   0.01988   3.19385
   A329       3.29285  -0.00005  -0.03081   0.00000  -0.03081   3.26204
   A330       3.29037  -0.00006  -0.02435   0.00000  -0.02435   3.26602
   A331       3.62760   0.00000   0.01457   0.00000   0.01457   3.64217
   A332       3.20769  -0.00007   0.00351   0.00000   0.00353   3.21122
   A333       2.98248  -0.00005   0.01702   0.00000   0.01703   2.99950
   A334       2.91593  -0.00006   0.01866   0.00000   0.01867   2.93460
   A335       3.24704  -0.00028  -0.01814   0.00000  -0.01814   3.22889
   A336       3.07300   0.00004   0.00573   0.00000   0.00573   3.07873
   A337       3.09949  -0.00001   0.00218   0.00000   0.00217   3.10166
   A338       3.03039   0.00005   0.00753   0.00000   0.00754   3.03793
    D1        2.75497   0.00007   0.00374   0.00000   0.00375   2.75872
    D2       -1.36960   0.00001   0.00783   0.00000   0.00784  -1.36176
    D3        2.79581   0.00001  -0.01412   0.00000  -0.01411   2.78170
    D4       -1.32876  -0.00006  -0.01004   0.00000  -0.01002  -1.33878
    D5        1.67313   0.00011  -0.00879   0.00000  -0.00879   1.66434
    D6       -2.45144   0.00004  -0.00470   0.00000  -0.00470  -2.45614
    D7        1.86410  -0.00005  -0.01784   0.00000  -0.01784   1.84626
    D8       -2.26047  -0.00011  -0.01375   0.00000  -0.01375  -2.27422
    D9        0.33878   0.00011  -0.01411   0.00000  -0.01412   0.32466
   D10        2.49739   0.00004  -0.01003   0.00000  -0.01003   2.48737
   D11        0.05556   0.00011  -0.01607   0.00000  -0.01607   0.03949
   D12        2.21417   0.00004  -0.01198   0.00000  -0.01198   2.20219
   D13       -0.41188   0.00008  -0.01764   0.00000  -0.01764  -0.42952
   D14        1.74674   0.00001  -0.01355   0.00000  -0.01355   1.73319
   D15       -0.53544   0.00008  -0.01471   0.00000  -0.01471  -0.55016
   D16        1.62317   0.00001  -0.01063   0.00000  -0.01063   1.61254
   D17        0.23967   0.00008  -0.02083   0.00000  -0.02083   0.21884
   D18        2.39828   0.00001  -0.01674   0.00000  -0.01674   2.38154
   D19        0.17313   0.00007  -0.01919   0.00000  -0.01919   0.15393
   D20        2.33174   0.00000  -0.01511   0.00000  -0.01510   2.31664
   D21        2.43457   0.00008  -0.02766   0.00000  -0.02766   2.40691
   D22       -1.69000   0.00001  -0.02357   0.00000  -0.02357  -1.71357
   D23        2.18995   0.00006  -0.02788   0.00000  -0.02788   2.16207
   D24       -1.93462  -0.00001  -0.02379   0.00000  -0.02379  -1.95842
   D25        1.74643   0.00013  -0.02579   0.00000  -0.02579   1.72064
   D26       -2.37814   0.00006  -0.02170   0.00000  -0.02170  -2.39984
   D27        1.43934   0.00016  -0.02568   0.00000  -0.02568   1.41366
   D28       -2.68523   0.00009  -0.02159   0.00000  -0.02159  -2.70682
   D29        2.39797   0.00014  -0.02709   0.00000  -0.02709   2.37088
   D30       -1.72660   0.00007  -0.02300   0.00000  -0.02300  -1.74960
   D31       -1.74741  -0.00006  -0.03113   0.00000  -0.03113  -1.77855
   D32        0.41120  -0.00013  -0.02705   0.00000  -0.02704   0.38416
   D33       -2.08252  -0.00001  -0.03409   0.00000  -0.03409  -2.11661
   D34        0.07610  -0.00008  -0.03000   0.00000  -0.03000   0.04609
   D35       -2.45889   0.00017  -0.03701   0.00000  -0.03701  -2.49590
   D36       -0.30027   0.00011  -0.03292   0.00000  -0.03292  -0.33319
   D37       -2.74281   0.00013  -0.03785   0.00000  -0.03786  -2.78066
   D38       -0.58419   0.00006  -0.03377   0.00000  -0.03377  -0.61796
   D39       -2.09886   0.00002  -0.02677   0.00000  -0.02676  -2.12563
   D40        0.05975  -0.00004  -0.02268   0.00000  -0.02267   0.03708
   D41       -2.35795   0.00006  -0.01483   0.00000  -0.01483  -2.37278
   D42       -0.19934   0.00000  -0.01074   0.00000  -0.01074  -0.21008
   D43        1.23416  -0.00008   0.02772   0.00000   0.02773   1.26190
   D44       -1.90516  -0.00003  -0.01663   0.00000  -0.01662  -1.92178
   D45        2.44752   0.00014   0.01106   0.00000   0.01106   2.45858
   D46       -0.69180   0.00018  -0.03330   0.00000  -0.03330  -0.72510
   D47        2.94393  -0.00002   0.00145   0.00000   0.00145   2.94538
   D48       -0.19539   0.00003  -0.04291   0.00000  -0.04291  -0.23830
   D49        2.84968  -0.00030   0.01285   0.00000   0.01285   2.86253
   D50       -0.28964  -0.00025  -0.03151   0.00000  -0.03151  -0.32115
   D51        2.05234  -0.00014   0.00140   0.00000   0.00140   2.05374
   D52       -1.08699  -0.00009  -0.04296   0.00000  -0.04295  -1.12994
   D53        1.18495  -0.00006  -0.01494   0.00000  -0.01493   1.17002
   D54       -1.95437  -0.00001  -0.05930   0.00000  -0.05929  -2.01366
   D55        1.02540  -0.00005   0.00146   0.00000   0.00146   1.02685
   D56       -2.11393   0.00000  -0.04290   0.00000  -0.04290  -2.15683
   D57        2.02521  -0.00009   0.00165   0.00000   0.00165   2.02686
   D58       -1.11412  -0.00004  -0.04271   0.00000  -0.04270  -1.15682
   D59        1.82836  -0.00010   0.00484   0.00000   0.00484   1.83320
   D60       -1.31096  -0.00005  -0.03952   0.00000  -0.03952  -1.35048
   D61       -2.26486  -0.00007  -0.00683   0.00000  -0.00683  -2.27169
   D62        0.87900  -0.00002  -0.05119   0.00000  -0.05119   0.82782
   D63       -2.40991  -0.00010   0.00113   0.00000   0.00113  -2.40877
   D64        0.73395  -0.00005  -0.04323   0.00000  -0.04323   0.69073
   D65       -2.81593  -0.00003   0.00469   0.00000   0.00469  -2.81124
   D66        0.32794   0.00002  -0.03967   0.00000  -0.03967   0.28826
   D67       -2.99282  -0.00005   0.00299   0.00000   0.00299  -2.98983
   D68        0.15104   0.00000  -0.04137   0.00000  -0.04137   0.10967
   D69       -2.14291  -0.00006   0.00879   0.00000   0.00879  -2.13411
   D70        1.00096  -0.00001  -0.03557   0.00000  -0.03557   0.96539
   D71       -0.16517  -0.00023   0.00101   0.00000   0.00101  -0.16416
   D72        2.97869  -0.00018  -0.04335   0.00000  -0.04335   2.93534
   D73       -0.55287  -0.00007  -0.00471   0.00000  -0.00471  -0.55758
   D74        2.59099  -0.00002  -0.04907   0.00000  -0.04907   2.54192
   D75       -0.72776   0.00000  -0.01121   0.00000  -0.01121  -0.73896
   D76        2.41611   0.00005  -0.05557   0.00000  -0.05556   2.36054
   D77       -1.06358  -0.00002  -0.01382   0.00000  -0.01382  -1.07740
   D78        2.08028   0.00003  -0.05818   0.00000  -0.05817   2.02211
   D79       -0.83572   0.00001   0.00428   0.00000   0.00428  -0.83144
   D80        2.30814   0.00006  -0.04008   0.00000  -0.04008   2.26807
   D81       -1.14900   0.00009   0.01097   0.00000   0.01096  -1.13803
   D82        1.99487   0.00014  -0.03339   0.00000  -0.03339   1.96147
   D83       -1.54037  -0.00005   0.00587   0.00000   0.00587  -1.53450
   D84       -2.60746   0.00023  -0.00190   0.00000  -0.00190  -2.60937
   D85       -2.93594  -0.00006  -0.01224   0.00000  -0.01223  -2.94818
   D86        0.73863   0.00001  -0.00393   0.00000  -0.00393   0.73470
   D87        0.31557   0.00005  -0.00376   0.00000  -0.00376   0.31181
   D88       -0.05983   0.00002  -0.00318   0.00000  -0.00318  -0.06301
   D89       -0.39611  -0.00001  -0.00323   0.00000  -0.00323  -0.39934
   D90        0.19073   0.00005  -0.00644   0.00000  -0.00644   0.18429
   D91       -0.04834  -0.00001  -0.00472   0.00000  -0.00472  -0.05306
   D92        2.41829  -0.00002  -0.01335   0.00000  -0.01335   2.40494
   D93        2.06666  -0.00008  -0.01110   0.00000  -0.01109   2.05557
   D94        1.67409  -0.00003  -0.01107   0.00000  -0.01106   1.66302
   D95        1.38609   0.00000  -0.01077   0.00000  -0.01076   1.37533
   D96        2.06301   0.00000  -0.00622   0.00000  -0.00622   2.05679
   D97       -1.90397  -0.00028  -0.02069   0.00000  -0.02069  -1.92466
   D98       -2.41578  -0.00008  -0.02477   0.00000  -0.02478  -2.44056
   D99       -2.64153   0.00009  -0.02386   0.00000  -0.02387  -2.66540
   D100      -2.96906   0.00009  -0.02229   0.00000  -0.02230  -2.99136
   D101      -2.87298   0.00004  -0.01150   0.00000  -0.01151  -2.88449
   D102       2.86808   0.00025  -0.00408   0.00000  -0.00408   2.86400
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   D104       1.21130  -0.00006  -0.01415   0.00000  -0.01415   1.19716
   D105       2.82142  -0.00012  -0.00941   0.00000  -0.00941   2.81201
   D106       0.63662  -0.00012  -0.01055   0.00000  -0.01055   0.62608
   D107       2.33173   0.00027  -0.01572   0.00000  -0.01572   2.31602
   D108       0.14693   0.00026  -0.01685   0.00000  -0.01685   0.13008
   D109       1.77973   0.00001  -0.02032   0.00000  -0.02033   1.75940
   D110      -0.40507   0.00000  -0.02145   0.00000  -0.02146  -0.42653
   D111       2.60494  -0.00005  -0.01162   0.00000  -0.01162   2.59333
   D112       0.42014  -0.00005  -0.01276   0.00000  -0.01275   0.40739
   D113       2.26474   0.00007  -0.00832   0.00000  -0.00832   2.25642
   D114       0.07994   0.00006  -0.00945   0.00000  -0.00945   0.07049
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   D116       2.48852   0.00002  -0.00298   0.00000  -0.00297   2.48555
   D117      -1.76204   0.00001  -0.01115   0.00000  -0.01115  -1.77319
   D118       2.33634   0.00000  -0.01228   0.00000  -0.01228   2.32406
   D119      -2.73302   0.00001  -0.00200   0.00000  -0.00200  -2.73502
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   D123       1.33015   0.00004  -0.00240   0.00000  -0.00240   1.32775
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   D125       1.30334   0.00003  -0.00608   0.00000  -0.00608   1.29726
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   D127       1.66146  -0.00003  -0.00903   0.00000  -0.00903   1.65243
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   D129       1.78141  -0.00003  -0.00344   0.00000  -0.00344   1.77797
   D130      -0.40339  -0.00004  -0.00457   0.00000  -0.00457  -0.40797
   D131       0.90674  -0.00002  -0.01000   0.00000  -0.01000   0.89675
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   D139       0.17854  -0.00008   0.01710   0.00000   0.01710   0.19564
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   D147      -2.44046   0.00001   0.03092   0.00000   0.03091  -2.40955
   D148       3.00140   0.00002   0.00462   0.00000   0.00462   3.00601
   D149       2.62222   0.00002   0.00216   0.00000   0.00216   2.62438
   D150       1.50383   0.00002   0.01361   0.00000   0.01362   1.51744
   D151       2.60896  -0.00005   0.00961   0.00000   0.00961   2.61857
   D152       2.98613   0.00005   0.00667   0.00000   0.00667   2.99281
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   D157       0.88996   0.00000   0.00667   0.00000   0.00667   0.89663
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   D165       1.66974  -0.00003  -0.00264   0.00000  -0.00264   1.66710
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   D398       2.22682   0.00003  -0.00853   0.00000  -0.00854   2.21828
   D399      -0.45392   0.00004   0.04835   0.00000   0.04835  -0.40557
   D400       2.47785   0.00004   0.00264   0.00000   0.00264   2.48049
   D401      -0.20288   0.00004   0.05953   0.00000   0.05952  -0.14336
   D402      -1.54180  -0.00023   0.01492   0.00000   0.01493  -1.52687
   D403       2.06065  -0.00022   0.07181   0.00000   0.07182   2.13247
   D404      -2.64098  -0.00008   0.01444   0.00000   0.01443  -2.62655
   D405       0.96148  -0.00007   0.07132   0.00000   0.07132   1.03279
   D406      -3.00916   0.00000   0.01922   0.00000   0.01922  -2.98995
   D407       0.59329   0.00001   0.07611   0.00000   0.07610   0.66939
   D408       1.91846   0.00014  -0.02099   0.00000  -0.02100   1.89746
   D409       2.40824   0.00012  -0.01912   0.00000  -0.01912   2.38911
   D410       2.64494  -0.00011  -0.02403   0.00000  -0.02402   2.62092
   D411       2.87110   0.00006  -0.01640   0.00000  -0.01641   2.85469
   D412       2.82336   0.00000  -0.01697   0.00000  -0.01696   2.80640
   D413      -2.95609  -0.00002  -0.02291   0.00000  -0.02290  -2.97900
   D414      -0.74393   0.00004  -0.02440   0.00000  -0.02440  -0.76833
   D415      -0.36265  -0.00002  -0.02434   0.00000  -0.02434  -0.38699
   D416      -0.05383  -0.00001  -0.02482   0.00000  -0.02482  -0.07865
   D417       0.25460   0.00000  -0.02413   0.00000  -0.02413   0.23047
   D418      -0.22703  -0.00002  -0.02252   0.00000  -0.02252  -0.24954
   D419       0.08716   0.00006  -0.02265   0.00000  -0.02265   0.06451
   D420      -2.56023  -0.00001  -0.01829   0.00000  -0.01829  -2.57853
   D421      -2.17608   0.00007  -0.01924   0.00000  -0.01924  -2.19532
   D422      -1.93264   0.00003  -0.02110   0.00000  -0.02110  -1.95373
   D423      -1.61410   0.00001  -0.02485   0.00000  -0.02485  -1.63894
   D424      -1.95942   0.00006  -0.01864   0.00000  -0.01864  -1.97806
   D425       1.35189   0.00013  -0.01229   0.00000  -0.01229   1.33960
   D426       2.48789  -0.00010  -0.00104   0.00000  -0.00104   2.48684
   D427       2.95675  -0.00007  -0.00174   0.00000  -0.00173   2.95502
   D428      -3.07754   0.00014   0.00763   0.00000   0.00763  -3.06990
   D429       0.02458   0.00019   0.00703   0.00000   0.00703   0.03160
   D430       0.04628  -0.00023  -0.00330   0.00000  -0.00330   0.04298
   D431      -3.13479  -0.00018  -0.00390   0.00000  -0.00391  -3.13870
   D432      -0.11375   0.00028   0.03242   0.00000   0.03242  -0.08134
   D433       1.98718   0.00029   0.03037   0.00000   0.03038   2.01756
   D434      -2.20701   0.00010   0.02821   0.00000   0.02819  -2.17882
   D435       3.06522   0.00024   0.03306   0.00000   0.03306   3.09828
   D436      -1.11703   0.00024   0.03101   0.00000   0.03102  -1.08601
   D437       0.97197   0.00005   0.02884   0.00000   0.02883   1.00080
   D438      -2.34758   0.00009  -0.02023   0.00000  -0.02024  -2.36782
   D439      -0.25797   0.00013  -0.01925   0.00000  -0.01925  -0.27722
   D440       1.85241   0.00002  -0.02255   0.00000  -0.02255   1.82986
   D441       0.75678   0.00012  -0.02108   0.00000  -0.02108   0.73570
   D442       2.84640   0.00016  -0.02010   0.00000  -0.02010   2.82630
   D443      -1.32641   0.00005  -0.02339   0.00000  -0.02340  -1.34981
   D444       0.00712  -0.00011  -0.00832   0.00000  -0.00832  -0.00121
   D445       3.11797  -0.00009  -0.00417   0.00000  -0.00417   3.11380
   D446      -3.11444   0.00000  -0.00701   0.00000  -0.00701  -3.12145
   D447      -0.00358   0.00002  -0.00286   0.00000  -0.00286  -0.00644
   D448       2.39726   0.00002   0.02755   0.00000   0.02755   2.42480
   D449      -1.80270   0.00004   0.02862   0.00000   0.02862  -1.77408
   D450       0.30506   0.00003   0.02884   0.00000   0.02884   0.33390
   D451      -0.71508   0.00001   0.02360   0.00000   0.02360  -0.69148
   D452       1.36814   0.00002   0.02467   0.00000   0.02467   1.39282
   D453      -2.80728   0.00002   0.02490   0.00000   0.02490  -2.78238
   D454       2.05859   0.00002   0.00225   0.00000   0.00225   2.06084
   D455      -2.13840  -0.00005   0.00059   0.00000   0.00058  -2.13782
   D456      -0.04620  -0.00001   0.00173   0.00000   0.00173  -0.04447
   D457      -1.11220   0.00004   0.00616   0.00000   0.00617  -1.10603
   D458       0.97399  -0.00003   0.00450   0.00000   0.00450   0.97850
   D459       3.06620   0.00001   0.00565   0.00000   0.00565   3.07185
   D460      -3.08011  -0.00014  -0.01066   0.00000  -0.01066  -3.09077
   D461      -0.01778  -0.00014  -0.01257   0.00000  -0.01257  -0.03035
   D462       0.06543   0.00011  -0.00148   0.00000  -0.00148   0.06396
   D463       3.12777   0.00010  -0.00339   0.00000  -0.00339   3.12438
   D464       1.92261   0.00017   0.02035   0.00000   0.02035   1.94296
   D465      -2.27328  -0.00002   0.01577   0.00000   0.01577  -2.25752
   D466      -0.18224   0.00008   0.01756   0.00000   0.01756  -0.16468
   D467      -1.14309   0.00018   0.02232   0.00000   0.02232  -1.12077
   D468       0.94420  -0.00001   0.01774   0.00000   0.01774   0.96194
   D469       3.03525   0.00009   0.01953   0.00000   0.01953   3.05478
   D470      -1.67487  -0.00001   0.02340   0.00000   0.02340  -1.65147
   D471       0.42815   0.00009   0.02466   0.00000   0.02466   0.45281
   D472       2.52272   0.00005   0.02246   0.00000   0.02246   2.54517
   D473       1.39120  -0.00001   0.02138   0.00000   0.02138   1.41259
   D474      -2.78895   0.00009   0.02264   0.00000   0.02264  -2.76632
   D475      -0.69439   0.00004   0.02044   0.00000   0.02044  -0.67395
   D476       0.00063   0.00014  -0.00095   0.00000  -0.00095  -0.00032
   D477       3.13538   0.00019   0.04786   0.00000   0.04786  -3.09994
   D478       3.11606   0.00008   0.00023   0.00000   0.00022   3.11629
   D479      -0.03238   0.00013   0.04904   0.00000   0.04904   0.01666
   D480      -0.43500  -0.00009   0.08103   0.00000   0.08103  -0.35397
   D481       1.66990   0.00010   0.08330   0.00000   0.08330   1.75320
   D482      -2.52606   0.00003   0.08317   0.00000   0.08317  -2.44290
   D483       2.71311  -0.00014   0.03451   0.00000   0.03451   2.74762
   D484      -1.46518   0.00005   0.03677   0.00000   0.03678  -1.42839
   D485       0.62204  -0.00001   0.03665   0.00000   0.03665   0.65869
   D486       0.05458   0.00020  -0.05147   0.00000  -0.05147   0.00311
   D487       2.15620  -0.00015  -0.06041   0.00000  -0.06041   2.09579
   D488      -2.04271  -0.00012  -0.05905   0.00000  -0.05905  -2.10177
   D489      -3.09353   0.00025  -0.00497   0.00000  -0.00497  -3.09850
   D490      -0.99191  -0.00010  -0.01391   0.00000  -0.01391  -1.00582
   D491       1.09237  -0.00007  -0.01255   0.00000  -0.01256   1.07981
         Item               Value     Threshold  Converged?
 Maximum Force            0.001944     0.000450     NO 
 RMS     Force            0.000177     0.000300     YES
 Maximum Displacement     0.206277     0.001800     NO 
 RMS     Displacement     0.022207     0.001200     NO 
 Predicted change in Energy=-9.957936D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:33:58 2016, MaxMem=  2952790016 cpu:         5.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833942   -0.607221    1.681832
      2          6           0       -2.099197    1.101722   -1.346635
      3          8           0       -2.648953    0.116812   -1.870190
      4          7           0       -0.804620    1.154884   -0.930778
      5          1           0       -2.649259    2.042393   -1.143520
      6          6           0       -0.265009    2.328696   -0.243587
      7          1           0       -1.024746    3.122100   -0.215236
      8          1           0        0.022078    2.058840    0.785613
      9          1           0        0.627202    2.696173   -0.776450
     10          6           0        0.109174    0.022841   -1.102420
     11          1           0        0.681350   -0.123470   -0.172866
     12          1           0       -0.469996   -0.883486   -1.322507
     13          1           0        0.815423    0.219577   -1.925896
     14          6           0       -1.984185   -4.024486    2.610917
     15          8           0       -2.106807   -3.877295    3.839020
     16          7           0       -2.927606   -3.717100    1.679622
     17          1           0       -1.051928   -4.413913    2.155696
     18          6           0       -4.230251   -3.162175    2.055971
     19          1           0       -4.500244   -2.369151    1.340585
     20          1           0       -5.008394   -3.943153    2.028515
     21          1           0       -4.169279   -2.740590    3.067621
     22          6           0       -2.679811   -3.893602    0.248440
     23          1           0       -3.387655   -4.625397   -0.174285
     24          1           0       -2.817371   -2.931571   -0.272238
     25          1           0       -1.650830   -4.246495    0.092588
     26          6           0        1.535311    0.380218    2.623351
     27          8           0        1.349442    1.395158    3.316106
     28          7           0        1.170716   -0.885856    2.964209
     29          1           0        2.020020    0.427687    1.628318
     30          6           0        1.487054   -2.031573    2.110998
     31          1           0        2.237337   -2.676934    2.598003
     32          1           0        0.577173   -2.628235    1.936461
     33          1           0        1.876729   -1.676278    1.147246
     34          6           0        0.532128   -1.172084    4.251406
     35          1           0        1.282694   -1.480783    4.999025
     36          1           0        0.012667   -0.272689    4.605739
     37          1           0       -0.190904   -1.989932    4.118227
     38          6           0       -4.607830    1.213145    2.900174
     39          8           0       -4.864441    1.855718    1.867993
     40          7           0       -3.510185    1.383838    3.686792
     41          1           0       -5.266460    0.399098    3.265623
     42          6           0       -2.486868    2.384943    3.372885
     43          1           0       -2.556981    2.656708    2.311411
     44          1           0       -2.621449    3.286244    3.993866
     45          1           0       -1.493516    1.957745    3.578245
     46          6           0       -3.267936    0.541724    4.858631
     47          1           0       -4.079502   -0.191795    4.960451
     48          1           0       -2.309833    0.008104    4.741892
     49          1           0       -3.215742    1.161026    5.769034
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487472   0.000000
     3  O    3.715552   1.243539   0.000000
     4  N    3.315155   1.360770   2.315524   0.000000
     5  H    3.958259   1.108460   2.058133   2.058064   0.000000
     6  C    3.845569   2.467069   3.636133   1.463300   2.564469
     7  H    4.261632   2.552731   3.795876   2.104850   2.160214
     8  H    3.369851   3.156322   4.237826   2.108688   3.295128
     9  H    4.797166   3.209461   4.310750   2.109385   3.361156
    10  C    3.453222   2.469925   2.864536   1.464924   3.418952
    11  H    3.162375   3.257342   3.745606   2.101601   4.089754
    12  H    3.311000   2.568254   2.459350   2.102469   3.652669
    13  H    4.551750   3.099796   3.466347   2.118867   3.992341
    14  C    3.544499   6.477149   6.137800   6.384423   7.165553
    15  O    3.926997   7.188998   6.988698   7.054750   7.756460
    16  N    3.296582   5.750265   5.232370   5.920937   6.420232
    17  H    3.914971   6.617049   6.267832   6.371733   7.424297
    18  C    3.522792   5.856615   5.354157   6.268382   6.310610
    19  H    3.214033   5.003313   4.462776   5.588877   5.390607
    20  H    4.617984   6.730961   6.103292   7.240105   7.173150
    21  H    3.453328   6.207597   5.904077   6.517887   6.551420
    22  C    3.683803   5.275855   4.535743   5.513086   6.097091
    23  H    4.690942   5.986186   5.090219   6.376206   6.778206
    24  H    3.191883   4.235275   3.445933   4.602603   5.052495
    25  H    3.975366   5.556602   4.887453   5.562216   6.486519
    26  C    3.635019   5.430563   6.145679   4.325184   5.870501
    27  O    4.100526   5.806925   6.672256   4.767991   6.024682
    28  N    3.278735   5.764216   6.242326   4.820529   6.327740
    29  H    3.990855   5.125683   5.842560   3.880255   5.665027
    30  C    3.638952   5.885063   6.129597   4.965649   6.655687
    31  H    4.658154   6.974522   7.186488   6.032299   7.755635
    32  H    3.156392   5.643958   5.695065   4.943925   6.458398
    33  H    3.898428   5.453872   5.727293   4.418517   6.289729
    34  C    3.538371   6.590306   7.018153   5.835812   7.039837
    35  H    4.634685   7.640283   8.074421   6.816611   8.099623
    36  H    3.474350   6.463725   7.012388   5.775720   6.745327
    37  H    3.247689   6.562364   6.807460   5.979880   7.070299
    38  C    3.534479   4.933664   5.272145   5.398518   4.568929
    39  O    3.909558   4.306846   4.680406   4.980607   3.743140
    40  N    3.285418   5.235062   5.764298   5.356721   4.950435
    41  H    3.911937   5.638986   5.771274   6.171630   5.384302
    42  C    3.498430   4.906201   5.714938   4.781685   4.532287
    43  H    3.401821   4.001106   4.893395   3.979703   3.510335
    44  H    4.596166   5.793603   6.665824   5.665306   5.285895
    45  H    3.208009   5.035283   5.865962   4.631463   4.861890
    46  C    3.669941   6.339154   6.770578   6.321483   6.217764
    47  H    3.995555   6.736032   6.985654   6.873498   6.655498
    48  H    3.157382   6.189550   6.621665   5.979963   6.236314
    49  H    4.662756   7.202981   7.731066   7.120465   6.991503
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098860   0.000000
     8  H    1.102041   1.796681   0.000000
     9  H    1.102281   1.795914   1.792321   0.000000
    10  C    2.488890   3.417349   2.778047   2.742501   0.000000
    11  H    2.629395   3.666918   2.473014   2.884031   1.101300
    12  H    3.394732   4.192674   3.652888   3.783647   1.097865
    13  H    2.906180   3.838908   3.371137   2.736820   1.102544
    14  C    7.174029   7.744763   6.660606   7.966233   5.878085
    15  O    7.653381   8.160845   7.006650   8.484566   6.673790
    16  N    6.880394   7.347518   6.546859   7.732983   5.563179
    17  H    7.199901   7.900225   6.702771   7.872121   5.625679
    18  C    7.152676   7.411191   6.852379   8.120203   6.241023
    19  H    6.520474   6.682328   6.353462   7.511994   5.739045
    20  H    8.185246   8.415562   7.929336   9.149231   7.191757
    21  H    7.204519   7.418651   6.768276   8.206188   6.582626
    22  C    6.692560   7.223179   6.558988   7.443916   4.994176
    23  H    7.623329   8.099922   7.564834   8.371803   5.890278
    24  H    5.846861   6.313769   5.838297   6.617463   4.240568
    25  H    6.728050   7.401549   6.560194   7.358349   4.769999
    26  C    3.906028   4.704188   2.912890   4.212714   4.005366
    27  O    4.018626   4.592328   2.933558   4.354686   4.790083
    28  N    4.762836   5.567104   3.838865   5.207579   4.300009
    29  H    3.512722   4.464208   2.713408   3.587322   3.357404
    30  C    5.256019   6.187151   4.542496   5.606093   4.055271
    31  H    6.276361   7.223870   5.533506   6.545973   5.050841
    32  H    5.480241   6.345258   4.858112   5.975928   4.059806
    33  H    4.749871   5.770558   4.185882   4.937636   3.327499
    34  C    5.752899   6.388643   4.765578   6.344430   5.501835
    35  H    6.662769   7.327983   5.645434   7.157706   6.392626
    36  H    5.510015   5.986870   4.475430   6.177358   5.716618
    37  H    6.138522   6.753300   5.248259   6.825448   5.603254
    38  C    5.476110   5.117458   5.159710   6.566772   6.299818
    39  O    5.083037   4.548278   5.009079   6.152853   6.076154
    40  N    5.183802   4.942144   4.620535   6.225812   6.155374
    41  H    6.407216   6.125623   6.072382   7.506675   6.936772
    42  C    4.244842   3.944086   3.618718   5.197237   5.687469
    43  H    3.448005   2.991368   3.055658   4.435704   5.069505
    44  H    4.942238   4.504769   4.334471   5.801538   6.639144
    45  H    4.031529   3.995743   3.178999   4.899601   5.312352
    46  C    6.184130   6.118364   5.451174   7.181079   6.870825
    47  H    6.927138   6.863030   6.270373   7.962755   7.372210
    48  H    5.866980   5.993458   5.029460   6.804704   6.325171
    49  H    6.798668   6.667665   6.010326   7.743918   7.717993
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795800   0.000000
    13  H    1.791304   1.798090   0.000000
    14  C    5.483836   5.256470   6.814143   0.000000
    15  O    6.161190   6.187359   7.652323   1.242955   0.000000
    16  N    5.419452   4.804372   6.519774   1.360823   2.315680
    17  H    5.180189   4.990036   6.451017   1.108145   2.057744
    18  C    6.190740   5.544912   7.262942   2.469080   2.863508
    19  H    5.846583   5.053925   6.754829   3.268704   3.774284
    20  H    7.197864   6.417785   8.178174   3.080851   3.420742
    21  H    6.393644   6.033801   7.651474   2.575190   2.478094
    22  C    5.068412   4.051167   5.819161   2.466237   3.636051
    23  H    6.068291   4.881910   6.648893   3.176189   4.278650
    24  H    4.487355   3.287534   5.085421   3.193939   4.278053
    25  H    4.744351   3.834930   5.486572   2.549979   3.792094
    26  C    2.966780   4.603043   4.608654   5.638123   5.733175
    27  O    3.863355   5.478988   5.398680   6.401789   6.325967
    28  N    3.265265   4.589976   5.026066   4.464215   4.522849
    29  H    2.310860   4.077588   3.758563   6.068032   6.360093
    30  C    3.083188   4.115471   4.670682   4.033748   4.394154
    31  H    4.076640   5.090827   5.556733   4.431401   4.674674
    32  H    3.276272   3.842081   4.804643   2.994156   3.519039
    33  H    2.362803   3.497902   3.763620   4.750061   5.287597
    34  C    4.549290   5.670630   6.338456   4.142371   3.801606
    35  H    5.380741   6.587143   7.145914   4.779747   4.310173
    36  H    4.827470   5.979142   6.599166   4.694967   4.251260
    37  H    4.760040   5.559110   6.513527   3.102781   2.703846
    38  C    6.261433   6.272843   7.327332   5.865148   5.748837
    39  O    6.232022   6.082243   7.023632   6.589735   6.660100
    40  N    5.893887   6.283039   7.181132   5.721551   5.447216
    41  H    6.890046   6.760327   7.998337   5.547077   5.347872
    42  C    5.376066   6.066061   6.608404   6.474107   6.291054
    43  H    4.938402   5.485785   5.938643   6.712388   6.725284
    44  H    6.316352   7.090785   7.500674   7.467625   7.183672
    45  H    4.809608   5.756523   6.216750   6.079767   5.872974
    46  C    6.430809   6.932976   7.925112   5.248857   4.681405
    47  H    7.001523   7.278910   8.458799   4.959857   4.328053
    48  H    5.754940   6.399755   7.366908   4.572623   3.994086
    49  H    7.221041   7.874586   8.737766   6.195157   5.508119
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056784   0.000000
    18  C    1.465082   3.417387   0.000000
    19  H    2.098834   4.091007   1.101617   0.000000
    20  H    2.121911   3.986404   1.102809   1.791353   0.000000
    21  H    2.102823   3.653696   1.097673   1.797264   1.797224
    22  C    1.463161   2.560929   2.491188   2.613562   2.931453
    23  H    2.115094   3.305928   2.797326   2.936551   2.818613
    24  H    2.106886   3.347983   2.733124   2.397827   3.334268
    25  H    2.104540   2.154791   3.418191   3.633328   3.887552
    26  C    6.131580   5.467742   6.790595   6.755179   7.865459
    27  O    6.863411   6.392060   7.313699   7.231288   8.401044
    28  N    5.144157   4.247473   5.931018   6.082443   6.957298
    29  H    6.454525   5.758132   7.220518   7.100629   8.286314
    30  C    4.745135   3.481949   5.828281   6.046091   6.771395
    31  H    5.348084   3.745930   6.508376   6.860818   7.377550
    32  H    3.679004   2.427072   4.838460   5.118823   5.738993
    33  H    5.246905   4.133842   6.350502   6.417416   7.302073
    34  C    5.006090   4.172612   5.608979   5.935538   6.581600
    35  H    5.809145   4.705128   6.471569   6.900416   7.380040
    36  H    5.391784   4.928063   5.731736   5.951701   6.732418
    37  H    4.052091   3.235518   4.684376   5.140964   5.602695
    38  C    5.349787   6.697945   4.471987   3.908546   5.244774
    39  O    5.902806   7.343453   5.061302   4.273209   5.802878
    40  N    5.512504   6.480833   4.883063   4.535397   5.776794
    41  H    4.992867   6.493019   3.901237   3.457753   4.522408
    42  C    6.347938   7.054434   5.961892   5.548453   6.943358
    43  H    6.415758   7.230706   6.060072   5.475220   7.046107
    44  H    7.382161   8.070607   6.922845   6.523286   7.862843
    45  H    6.153475   6.543445   6.001718   5.724471   7.041068
    46  C    5.325364   6.064230   4.743397   4.729526   5.581476
    47  H    4.951614   5.904163   4.157148   4.245153   4.850956
    48  H    4.861716   5.274938   4.577427   4.692347   5.500643
    49  H    6.372004   6.987006   5.788448   5.807173   6.577061
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390536   0.000000
    23  H    3.830586   1.102390   0.000000
    24  H    3.608156   1.102512   1.789935   0.000000
    25  H    4.178654   1.098920   1.797595   1.795255   0.000000
    26  C    6.517605   6.455463   7.557682   6.188556   6.161390
    27  O    6.900902   7.322325   8.418433   6.997080   7.156881
    28  N    5.653874   5.590036   6.679301   5.528506   5.244161
    29  H    7.100493   6.531923   7.617479   6.188463   6.138532
    30  C    5.780306   4.929406   5.976055   5.001788   4.338914
    31  H    6.424121   5.583823   6.566782   5.818350   4.884513
    32  H    4.880672   3.880531   4.915666   4.061193   3.314005
    33  H    6.432326   5.146498   6.177175   5.062141   4.490210
    34  C    5.095566   5.809213   6.846664   5.897312   5.613650
    35  H    5.919582   6.640121   7.646168   6.833852   6.350421
    36  H    5.093625   6.272679   7.304580   6.234855   6.239141
    37  H    4.182671   4.979345   5.965782   5.202037   4.840374
    38  C    3.981506   6.068593   6.710417   5.518025   6.814253
    39  O    4.800875   6.360050   6.953895   5.629317   7.121541
    40  N    4.222403   6.353201   7.143797   5.897174   6.933696
    41  H    3.331764   5.849908   6.372474   5.441309   6.687485
    42  C    5.403220   7.015662   7.908141   6.454569   7.445486
    43  H    5.683502   6.868588   7.739364   6.162134   7.307427
    44  H    6.290981   8.098261   8.975223   7.543159   8.538397
    45  H    5.430912   6.836166   7.810698   6.362721   7.118085
    46  C    3.846261   6.424319   7.214133   6.212294   6.946742
    47  H    3.176039   6.153500   6.819164   6.039899   6.784919
    48  H    3.716994   5.962491   6.841040   5.834447   6.336554
    49  H    4.840401   7.504229   8.296704   7.307873   7.994515
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242803   0.000000
    28  N    1.360903   2.314908   0.000000
    29  H    1.107830   2.057742   2.057017   0.000000
    30  C    2.466084   3.635066   1.463115   2.562224   0.000000
    31  H    3.136824   4.229180   2.116542   3.259784   1.102992
    32  H    3.231197   4.322905   2.108185   3.393437   1.101976
    33  H    2.554335   3.796802   2.103468   2.163014   1.098590
    34  C    2.463043   2.851932   1.465127   3.413749   2.496387
    35  H    3.028361   3.332823   2.122958   3.943041   2.947174
    36  H    2.583523   2.496364   2.100398   3.658555   3.389870
    37  H    3.291213   3.804589   2.098749   4.114937   2.616532
    38  C    6.205528   5.974548   6.148293   6.794332   6.949719
    39  O    6.610938   6.396991   6.718709   7.035092   7.450608
    40  N    5.253112   4.873757   5.252092   5.977851   6.254642
    41  H    6.832054   6.690654   6.571088   7.468224   7.269888
    42  C    4.556166   3.962344   4.923724   5.214057   6.073715
    43  H    4.693247   4.226235   5.183786   5.136544   6.194704
    44  H    5.253756   4.450117   5.731242   5.942255   6.978837
    45  H    3.546013   2.909919   3.944774   4.299793   5.191460
    46  C    5.300353   4.942460   5.032738   6.197613   6.064756
    47  H    6.108630   5.890308   5.659637   6.977896   6.518489
    48  H    4.405885   4.164983   4.009183   5.349581   5.049577
    49  H    5.751303   5.187733   5.594442   6.715394   6.759452
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787779   0.000000
    33  H    1.798902   1.793858   0.000000
    34  C    2.811771   2.735210   3.420230   0.000000
    35  H    2.847284   3.345699   3.902217   1.103440   0.000000
    36  H    3.841947   3.604484   4.172045   1.097407   1.796423
    37  H    2.946083   2.399474   3.633209   1.099721   1.790678
    38  C    7.879108   6.524507   7.312388   5.825316   6.808869
    39  O    8.456542   7.051360   7.644465   6.631078   7.663085
    40  N    7.121049   5.988896   6.695703   4.815788   5.735825
    41  H    8.137240   6.714124   7.734330   6.088021   7.030651
    42  C    6.967148   6.048438   6.363014   4.747480   5.638951
    43  H    7.177420   6.155821   6.307759   5.288272   6.251816
    44  H    7.817656   7.031725   7.277601   5.466998   6.243175
    45  H    6.029958   5.292865   5.520365   3.788430   4.642137
    46  C    6.765961   5.776900   6.720229   4.212641   4.981815
    47  H    7.187457   6.063446   7.226403   4.767687   5.515081
    48  H    5.699337   4.812019   5.769395   3.116113   3.897326
    49  H    7.383864   6.590396   7.439387   4.668310   5.273328
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796672   0.000000
    38  C    5.144477   5.590401   0.000000
    39  O    5.984275   6.457130   1.242637   0.000000
    40  N    3.999878   4.752482   1.361150   2.316185   0.000000
    41  H    5.487841   5.674123   1.109063   2.058331   2.057086
    42  C    3.851053   4.996650   2.468815   2.863151   1.465581
    43  H    4.521990   5.518529   2.576140   2.482454   2.102491
    44  H    4.469783   5.810426   3.072395   3.405401   2.122097
    45  H    2.880827   4.191960   3.273097   3.781337   2.099549
    46  C    3.389628   4.052852   2.466105   3.635838   1.463231
    47  H    4.108310   4.366215   2.549064   3.791006   2.104506
    48  H    2.343372   2.978417   3.181955   4.266028   2.108725
    49  H    3.719062   4.669405   3.189198   4.291727   2.114727
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417780   0.000000
    43  H    3.653574   1.097952   0.000000
    44  H    3.982718   1.102758   1.797534   0.000000
    45  H    4.094170   1.100645   1.795655   1.791615   0.000000
    46  C    2.559710   2.492983   3.386288   2.949264   2.606353
    47  H    2.151852   3.420004   4.177254   3.893195   3.635704
    48  H    3.327745   2.748615   3.603252   3.376811   2.412789
    49  H    3.324613   2.787608   3.824420   2.832129   2.898341
                   46         47         48         49
    46  C    0.000000
    47  H    1.098661   0.000000
    48  H    1.102878   1.794284   0.000000
    49  H    1.102313   1.797224   1.790230   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2139874      0.1938138      0.1842251
 Leave Link  202 at Mon Nov 14 02:33:58 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0065756009 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839361885 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8226394123 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4023
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.49D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.20%
 GePol: Cavity surface area                          =    467.192 Ang**2
 GePol: Cavity volume                                =    457.847 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040160409 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8186233714 Hartrees.
 Leave Link  301 at Mon Nov 14 02:33:58 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37494.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:33:59 2016, MaxMem=  2952790016 cpu:        14.2
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:33:59 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Lowest energy guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000251    0.000229    0.000393
         Rot=    1.000000   -0.000024   -0.000011   -0.000009 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 B after Tr=     0.007319   -0.006980   -0.011536
         Rot=    1.000000    0.000709    0.000323    0.000264 Ang=   0.09 deg.
 Guess basis will be translated and rotated to current coordinates.
 CkInt1:  FT= 3.35D-02
 Max alpha theta=  2.282 degrees.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 02:34:00 2016, MaxMem=  2952790016 cpu:        11.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48553587.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.04D-14 for   1960.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.86D-15 for   2281    511.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.44D-15 for   3818.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.68D-12 for   1967   1949.
 E= -1013.45129736921    
 DIIS: error= 4.53D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45129736921     IErMin= 1 ErrMin= 4.53D-06
 ErrMax= 4.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-08 BMatP= 1.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=    15.544 Goal=   None    Shift=    0.000
 RMSDP=1.56D-06 MaxDP=1.11D-04              OVMax= 5.38D-05

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.55D-06    CP:  1.00D+00
 E= -1013.45129736216     Delta-E=        0.000000007042 Rises=F Damp=F
 DIIS: error= 7.13D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 1 EnMin= -1013.45129736921     IErMin= 1 ErrMin= 4.53D-06
 ErrMax= 7.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-08 BMatP= 1.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.588D+00 0.412D+00
 Coeff:      0.588D+00 0.412D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.60D-07 MaxDP=4.44D-05 DE= 7.04D-09 OVMax= 5.54D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.26D-07    CP:  1.00D+00  8.80D-01
 E= -1013.45129737486     Delta-E=       -0.000000012693 Rises=F Damp=F
 DIIS: error= 4.56D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1013.45129737486     IErMin= 1 ErrMin= 4.53D-06
 ErrMax= 4.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.66D-09 BMatP= 1.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.821D-01 0.357D+00 0.561D+00
 Coeff:      0.821D-01 0.357D+00 0.561D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.76D-07 MaxDP=1.89D-05 DE=-1.27D-08 OVMax= 3.61D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.27D-07    CP:  1.00D+00  9.21D-01  5.53D-01
 E= -1013.45129738097     Delta-E=       -0.000000006118 Rises=F Damp=F
 DIIS: error= 2.60D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45129738097     IErMin= 4 ErrMin= 2.60D-06
 ErrMax= 2.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-09 BMatP= 8.66D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.769D-02 0.220D+00 0.401D+00 0.371D+00
 Coeff:      0.769D-02 0.220D+00 0.401D+00 0.371D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.16D-08 MaxDP=6.02D-06 DE=-6.12D-09 OVMax= 1.11D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.59D-08    CP:  1.00D+00  9.21D-01  6.13D-01  4.79D-01
 E= -1013.45129738206     Delta-E=       -0.000000001082 Rises=F Damp=F
 DIIS: error= 2.40D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45129738206     IErMin= 5 ErrMin= 2.40D-07
 ErrMax= 2.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-11 BMatP= 1.17D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.372D-03 0.101D+00 0.188D+00 0.196D+00 0.515D+00
 Coeff:      0.372D-03 0.101D+00 0.188D+00 0.196D+00 0.515D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.57D-08 MaxDP=8.02D-07 DE=-1.08D-09 OVMax= 8.55D-07

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.26D-08    CP:  1.00D+00  9.22D-01  6.13D-01  4.68D-01  7.45D-01
 E= -1013.45129738212     Delta-E=       -0.000000000061 Rises=F Damp=F
 DIIS: error= 3.56D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45129738212     IErMin= 6 ErrMin= 3.56D-08
 ErrMax= 3.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.99D-13 BMatP= 1.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.163D-03 0.286D-01 0.538D-01 0.599D-01 0.250D+00 0.608D+00
 Coeff:     -0.163D-03 0.286D-01 0.538D-01 0.599D-01 0.250D+00 0.608D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.28D-09 MaxDP=1.85D-07 DE=-6.09D-11 OVMax= 1.95D-07

 Error on total polarization charges =  0.04310
 SCF Done:  E(RB97D) =  -1013.45129738     A.U. after    6 cycles
            NFock=  6  Conv=0.43D-08     -V/T= 2.0213
 KE= 9.923483789263D+02 PE=-6.027158864306D+03 EE= 2.173540564626D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:35:19 2016, MaxMem=  2952790016 cpu:       888.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37494.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 02:35:27 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:35:28 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:36:04 2016, MaxMem=  2952790016 cpu:       438.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21022483D+00-2.67918723D+00 3.27468227D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000063649    0.000112118   -0.000089507
      2        6           0.000053225   -0.000044990    0.000036915
      3        8           0.000024757    0.000061434   -0.000089214
      4        7           0.000016008    0.000023345   -0.000001344
      5        1           0.000016175    0.000009752    0.000053268
      6        6           0.000010690    0.000019212    0.000017762
      7        1           0.000017114    0.000025581    0.000024435
      8        1           0.000003399   -0.000011675    0.000035351
      9        1           0.000013950    0.000018335    0.000047138
     10        6           0.000039280    0.000006373    0.000023582
     11        1           0.000007927    0.000032958    0.000015924
     12        1           0.000026543    0.000033698   -0.000003968
     13        1           0.000028425    0.000027591    0.000023039
     14        6          -0.000054070   -0.000000074   -0.000002026
     15        8          -0.000008017   -0.000035094   -0.000033484
     16        7          -0.000010916    0.000006620   -0.000022678
     17        1           0.000011388    0.000020055   -0.000030183
     18        6          -0.000008303   -0.000006050   -0.000047506
     19        1           0.000004069   -0.000002903   -0.000051157
     20        1           0.000003377   -0.000006026   -0.000048746
     21        1           0.000000717   -0.000003250   -0.000041129
     22        6          -0.000001474   -0.000001846   -0.000012356
     23        1           0.000029431    0.000014037   -0.000058248
     24        1           0.000026340    0.000019035   -0.000038143
     25        1           0.000019697    0.000017235   -0.000026023
     26        6          -0.000006563    0.000031634    0.000082783
     27        8           0.000030676   -0.000005676    0.000024805
     28        7          -0.000012067   -0.000007988    0.000018204
     29        1          -0.000026786    0.000013620    0.000020465
     30        6          -0.000022642   -0.000016833    0.000022861
     31        1           0.000018420    0.000018473   -0.000009984
     32        1           0.000011594    0.000000296   -0.000002620
     33        1          -0.000016133    0.000015460    0.000007973
     34        6          -0.000023620   -0.000018567    0.000023839
     35        1          -0.000020239   -0.000011901    0.000011284
     36        1          -0.000044867   -0.000025404   -0.000006779
     37        1          -0.000002267   -0.000027981    0.000010483
     38        6          -0.000023968   -0.000079012    0.000025647
     39        8           0.000042807   -0.000051493    0.000052282
     40        7          -0.000046144    0.000022711   -0.000046849
     41        1          -0.000020308   -0.000010263   -0.000023428
     42        6          -0.000169707   -0.000129451    0.000118380
     43        1          -0.000024185   -0.000012886    0.000000440
     44        1           0.000086511    0.000025029   -0.000034349
     45        1          -0.000028400    0.000025379    0.000046633
     46        6           0.000037706   -0.000039755   -0.000014730
     47        1          -0.000008173   -0.000036062    0.000001534
     48        1          -0.000036650    0.000014194   -0.000004887
     49        1          -0.000028378   -0.000028997   -0.000005692
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000169707 RMS     0.000037602
 Leave Link  716 at Mon Nov 14 02:36:04 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000081687 RMS     0.000008685
 Search for a local minimum.
 Step number  53 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .86852D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48   49   50   51
                                                     52   53
 ITU=  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---   -0.00001   0.00000   0.00000   0.00054   0.00099
     Eigenvalues ---    0.00160   0.00189   0.00334   0.00360   0.00388
     Eigenvalues ---    0.00533   0.00601   0.00672   0.00713   0.00729
     Eigenvalues ---    0.00773   0.00833   0.00910   0.01011   0.01024
     Eigenvalues ---    0.01093   0.01129   0.01232   0.01273   0.01311
     Eigenvalues ---    0.01397   0.01519   0.01578   0.01663   0.01683
     Eigenvalues ---    0.01751   0.01770   0.01799   0.01848   0.01902
     Eigenvalues ---    0.01923   0.02087   0.02132   0.02214   0.02290
     Eigenvalues ---    0.02347   0.02490   0.02646   0.02957   0.03138
     Eigenvalues ---    0.03423   0.03798   0.04011   0.04374   0.04712
     Eigenvalues ---    0.04867   0.05182   0.05696   0.05966   0.06055
     Eigenvalues ---    0.06122   0.06352   0.06478   0.06856   0.06932
     Eigenvalues ---    0.07039   0.07247   0.07841   0.07976   0.08019
     Eigenvalues ---    0.08153   0.08231   0.08326   0.08423   0.08629
     Eigenvalues ---    0.08754   0.08814   0.08953   0.09118   0.09454
     Eigenvalues ---    0.09587   0.09718   0.09827   0.09945   0.10247
     Eigenvalues ---    0.10429   0.10447   0.10521   0.10597   0.11024
     Eigenvalues ---    0.11226   0.11291   0.11518   0.11879   0.13149
     Eigenvalues ---    0.13466   0.13778   0.14527   0.15051   0.15215
     Eigenvalues ---    0.15617   0.15648   0.21935   0.22653   0.23374
     Eigenvalues ---    0.23592   0.24278   0.24800   0.25523   0.26278
     Eigenvalues ---    0.27022   0.27609   0.28327   0.29269   0.29601
     Eigenvalues ---    0.29840   0.30192   0.32714   0.32722   0.32821
     Eigenvalues ---    0.32828   0.33301   0.33350   0.33374   0.33382
     Eigenvalues ---    0.33409   0.33419   0.33454   0.33488   0.33693
     Eigenvalues ---    0.33793   0.33814   0.33838   0.33923   0.33952
     Eigenvalues ---    0.34010   0.34069   0.34145   0.37293   0.39031
     Eigenvalues ---    0.40039   0.41915   0.85861   0.85988   0.86069
     Eigenvalues ---    0.86442
 Eigenvalue     1 is  -1.11D-05 should be greater than     0.000000 Eigenvector:
                          R4       D435      D437      D432      A241
   1                   -0.20002  -0.19156  -0.17588  -0.16247  -0.15427
                         D436      D434      A240      D433       R3
   1                   -0.15300  -0.14679   0.14620  -0.12392  -0.12193
 Eigenvalue     2 is   2.16D-07 Eigenvector:
                         D375      D373      D381      D379      D369
   1                   -0.19494  -0.19288  -0.19164  -0.19029  -0.19000
                         D377      D383      D371      D397      D395
   1                   -0.18931  -0.18903  -0.18901  -0.18759  -0.18425
 Eigenvalue     3 is   3.84D-06 Eigenvector:
                         D480      D482       R21      D481       R3
   1                    0.17573   0.16967  -0.16427   0.14431  -0.13580
                          D29       R4        D37      D433       D31
   1                   -0.12269  -0.11946  -0.11441   0.11139  -0.11095
 Use linear search instead of GDIIS.
 RFO step:  Lambda=-1.19267201D-04 EMin=-1.00000000D-04
 Quartic linear search produced a step of -0.00047.
 Maximum step size (   0.667) exceeded in Quadratic search.
    -- Step size scaled by   0.563
 Iteration  1 RMS(Cart)=  0.04341192 RMS(Int)=  0.00457082
 Iteration  2 RMS(Cart)=  0.00428034 RMS(Int)=  0.00090612
 Iteration  3 RMS(Cart)=  0.00006233 RMS(Int)=  0.00090444
 Iteration  4 RMS(Cart)=  0.00000005 RMS(Int)=  0.00090444
 ITry= 1 IFail=0 DXMaxC= 4.81D-01 DCOld= 1.00D+10 DXMaxT= 6.67D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59037   0.00002   0.00000  -0.07373  -0.07348   6.51689
    R2        6.26473   0.00001   0.00002  -0.15406  -0.15538   6.10935
    R3        7.26707  -0.00002   0.00006  -0.17266  -0.17943   7.08764
    R4        6.36810  -0.00002   0.00008  -0.27029  -0.26472   6.10338
    R5        6.52564   0.00003  -0.00001  -0.05300  -0.05185   6.47380
    R6        5.97602   0.00000  -0.00002   0.00876   0.00835   5.98438
    R7        6.69813   0.00000   0.00000  -0.01916  -0.01921   6.67892
    R8        6.22964   0.00000   0.00000   0.01570   0.01521   6.24484
    R9        6.65711   0.00001   0.00001  -0.03535  -0.03646   6.62065
   R10        6.07364   0.00000  -0.00001   0.03455   0.03491   6.10855
   R11        6.96138   0.00000  -0.00001   0.01427   0.01416   6.97554
   R12        6.03179   0.00000  -0.00001   0.02050   0.02040   6.05219
   R13        6.86919   0.00000  -0.00001   0.01512   0.01509   6.88428
   R14        6.19591  -0.00001   0.00000  -0.00508  -0.00548   6.19043
   R15        6.87662  -0.00002  -0.00001  -0.02755  -0.02763   6.84899
   R16        5.96472   0.00000   0.00000  -0.05513  -0.05510   5.90961
   R17        6.68655   0.00002   0.00001  -0.00798  -0.00817   6.67839
   R18        6.67920  -0.00003   0.00005   0.08013   0.07977   6.75897
   R19        6.20854  -0.00001   0.00000  -0.04207  -0.04286   6.16568
   R20        6.61108  -0.00001   0.00001  -0.03336  -0.03424   6.57684
   R21        6.06226   0.00003   0.00002  -0.02867  -0.02900   6.03326
   R22        6.93518   0.00000  -0.00002   0.00765   0.00688   6.94206
   R23        5.96659   0.00000  -0.00002   0.04833   0.04878   6.01536
   R24        2.34995   0.00001   0.00000  -0.00352  -0.00352   2.34643
   R25        2.57148  -0.00001   0.00000   0.00316   0.00354   2.57502
   R26        2.09469   0.00000   0.00000  -0.00088  -0.00088   2.09380
   R27        2.76524   0.00001   0.00000   0.01806   0.01827   2.78350
   R28        2.76830   0.00000   0.00000   0.00565   0.00504   2.77335
   R29        2.07654   0.00000   0.00000  -0.00222  -0.00222   2.07432
   R30        2.08256   0.00000   0.00000   0.00541   0.01344   2.09599
   R31        2.08301   0.00000   0.00000   0.00015   0.00015   2.08316
   R32        2.08116  -0.00001   0.00000  -0.00076  -0.00096   2.08020
   R33        2.07466  -0.00001   0.00000   0.00034   0.00034   2.07500
   R34        2.08351   0.00000   0.00000   0.00052   0.00052   2.08402
   R35        2.34884  -0.00001   0.00000  -0.00053  -0.00053   2.34832
   R36        2.57158   0.00000   0.00000  -0.00165  -0.00087   2.57071
   R37        2.09409   0.00000   0.00000  -0.00045  -0.00045   2.09364
   R38        2.76860  -0.00001   0.00000   0.00327   0.00388   2.77249
   R39        2.76497   0.00001   0.00000  -0.00051   0.00045   2.76542
   R40        2.08175   0.00000   0.00000  -0.00111   0.00086   2.08261
   R41        2.08401   0.00000   0.00000  -0.00115  -0.00115   2.08285
   R42        2.07430   0.00000   0.00000   0.00169   0.00169   2.07599
   R43        2.08321   0.00000   0.00000  -0.00010  -0.00010   2.08312
   R44        2.08345   0.00000   0.00000   0.00294   0.00261   2.08606
   R45        2.07666   0.00000   0.00000  -0.00006  -0.00006   2.07660
   R46        2.34856  -0.00001   0.00000  -0.00212  -0.00212   2.34644
   R47        2.57173   0.00002   0.00000   0.00166   0.00259   2.57433
   R48        2.09349   0.00000   0.00000  -0.00031  -0.00031   2.09318
   R49        2.76489   0.00001   0.00000  -0.00391  -0.00316   2.76173
   R50        2.76869   0.00001   0.00000  -0.00142  -0.00092   2.76777
   R51        2.08435  -0.00001   0.00000  -0.00043  -0.00043   2.08392
   R52        2.08243   0.00000   0.00000  -0.00036  -0.00111   2.08132
   R53        2.07603   0.00000   0.00000   0.00082   0.00082   2.07685
   R54        2.08520   0.00000   0.00000   0.00106   0.00106   2.08626
   R55        2.07380   0.00000   0.00000  -0.00194  -0.00194   2.07186
   R56        2.07817   0.00000   0.00000  -0.00001  -0.00001   2.07816
   R57        2.34824  -0.00008   0.00000  -0.00433  -0.00433   2.34391
   R58        2.57220  -0.00004   0.00000   0.00251   0.00463   2.57683
   R59        2.09582   0.00000   0.00000  -0.00008  -0.00008   2.09574
   R60        2.76955  -0.00002   0.00000   0.02656   0.02827   2.79782
   R61        2.76511   0.00000   0.00000  -0.00983  -0.00957   2.75554
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   A229       0.84559  -0.00001   0.00000  -0.00379  -0.00340   0.84220
   A230       0.76618  -0.00001   0.00000   0.00665   0.00689   0.77307
   A231       0.77738  -0.00001   0.00000  -0.00485  -0.00455   0.77283
   A232       1.58192   0.00007  -0.00002   0.06117   0.06262   1.64454
   A233       1.86970  -0.00004   0.00002  -0.07993  -0.08096   1.78873
   A234       2.18976   0.00003   0.00000  -0.00314  -0.00313   2.18663
   A235       2.12928  -0.00001   0.00000   0.01072   0.01282   2.14210
   A236       1.96378  -0.00001   0.00000  -0.00868  -0.01159   1.95219
   A237       2.12431   0.00001   0.00000   0.01277   0.01244   2.13675
   A238       2.12638   0.00000   0.00000   0.01079   0.01059   2.13698
   A239       2.03184   0.00000   0.00000  -0.02188  -0.02243   2.00941
   A240       1.82993   0.00001   0.00002   0.19179   0.19178   2.02170
   A241       2.54418   0.00000  -0.00002  -0.20299  -0.20313   2.34105
   A242       1.91383   0.00000   0.00000   0.00474   0.00134   1.91517
   A243       1.91582   0.00000   0.00000   0.02416   0.01830   1.93412
   A244       1.91653  -0.00001   0.00000  -0.06254  -0.05921   1.85732
   A245       1.91009   0.00000   0.00000   0.02905   0.03322   1.94330
   A246       1.90857   0.00000   0.00000   0.01188   0.01183   1.92040
   A247       1.89889   0.00000   0.00000  -0.00714  -0.00743   1.89146
   A248       1.28092   0.00001  -0.00001   0.01969   0.02178   1.30270
   A249       1.90483  -0.00001   0.00000   0.00119   0.00121   1.90603
   A250       1.90960   0.00000   0.00000   0.00935   0.00997   1.91958
   A251       1.92751   0.00001   0.00000  -0.00589  -0.00562   1.92189
   A252       1.91093   0.00001   0.00000   0.00023  -0.00057   1.91036
   A253       1.89791   0.00000   0.00000  -0.00176  -0.00174   1.89617
   A254       1.91294   0.00000   0.00000  -0.00315  -0.00334   1.90960
   A255       1.72035   0.00001   0.00001  -0.00420  -0.00422   1.71613
   A256       1.76753  -0.00002  -0.00001  -0.01245  -0.01233   1.75521
   A257       2.19080   0.00001   0.00000  -0.00068  -0.00087   2.18994
   A258       2.12998   0.00000   0.00000   0.00314   0.00301   2.13299
   A259       1.96219  -0.00001   0.00000  -0.00253  -0.00222   1.95997
   A260       2.12488   0.00000   0.00000  -0.00300  -0.00304   2.12184
   A261       2.12321   0.00000   0.00000  -0.00145  -0.00139   2.12183
   A262       2.03480   0.00000   0.00000   0.00359   0.00290   2.03770
   A263       1.35057  -0.00001   0.00001  -0.06991  -0.07008   1.28049
   A264       1.90050   0.00000   0.00000  -0.00845  -0.00978   1.89072
   A265       1.93130   0.00000   0.00000   0.00604   0.00648   1.93777
   A266       1.91010  -0.00001   0.00000  -0.00449  -0.00485   1.90525
   A267       1.89726   0.00000   0.00000   0.00601   0.00627   1.90353
   A268       1.91308   0.00000   0.00000  -0.00226  -0.00145   1.91162
   A269       1.91148   0.00000   0.00000   0.00310   0.00320   1.91468
   A270       2.66564   0.00000   0.00001   0.00606   0.00589   2.67153
   A271       1.69780   0.00000  -0.00001  -0.00440  -0.00420   1.69360
   A272       1.92454   0.00000   0.00000  -0.00061  -0.00062   1.92392
   A273       1.91299   0.00001   0.00000   0.00130   0.00118   1.91417
   A274       1.91350   0.00000   0.00000   0.00096   0.00121   1.91471
   A275       1.89445   0.00000   0.00000  -0.00016  -0.00011   1.89434
   A276       1.91100   0.00000   0.00000  -0.00147  -0.00151   1.90949
   A277       1.90716  -0.00001   0.00000  -0.00004  -0.00016   1.90700
   A278       1.80041   0.00003   0.00001   0.02372   0.02372   1.82412
   A279       1.75640  -0.00002  -0.00001  -0.01774  -0.01759   1.73881
   A280       2.18961   0.00001   0.00000   0.00030   0.00004   2.18965
   A281       2.13070  -0.00001   0.00000  -0.00194  -0.00183   2.12887
   A282       1.96280  -0.00001   0.00000   0.00166   0.00180   1.96461
   A283       2.12295  -0.00001   0.00000  -0.00995  -0.00981   2.11314
   A284       2.11597   0.00000   0.00000  -0.00992  -0.00945   2.10652
   A285       2.04158   0.00001   0.00000   0.02001   0.01941   2.06099
   A286       2.69490   0.00002   0.00001  -0.00892  -0.00932   2.68558
   A287       1.66460  -0.00002  -0.00001   0.00653   0.00660   1.67120
   A288       1.92598   0.00000   0.00000   0.01256   0.01327   1.93925
   A289       1.91541   0.00000   0.00000   0.00752   0.00747   1.92288
   A290       1.91241   0.00000   0.00000  -0.00456  -0.00497   1.90745
   A291       1.89102   0.00000   0.00000  -0.00096  -0.00106   1.88996
   A292       1.91271   0.00000   0.00000  -0.00219  -0.00238   1.91033
   A293       1.90608   0.00000   0.00000  -0.01258  -0.01275   1.89333
   A294       1.35627  -0.00001   0.00001  -0.02944  -0.02939   1.32689
   A295       1.14959   0.00001  -0.00001   0.02375   0.02376   1.17334
   A296       1.93204   0.00000   0.00000   0.00658   0.00678   1.93882
   A297       1.90697  -0.00001   0.00000  -0.00151  -0.00153   1.90544
   A298       1.90229   0.00001   0.00000  -0.00249  -0.00314   1.89915
   A299       1.90975   0.00001   0.00000  -0.00272  -0.00269   1.90705
   A300       1.89780  -0.00001   0.00000  -0.00130  -0.00121   1.89659
   A301       1.91494   0.00000   0.00000   0.00144   0.00181   1.91674
   A302       1.71335  -0.00003   0.00003   0.05229   0.05207   1.76542
   A303       1.77381   0.00001  -0.00001  -0.01931  -0.01896   1.75485
   A304       2.19163  -0.00003   0.00000   0.01154   0.01202   2.20365
   A305       2.13013   0.00001   0.00000  -0.00678  -0.00668   2.12344
   A306       1.96115   0.00002   0.00000  -0.00494  -0.00554   1.95561
   A307       2.12344   0.00003   0.00000  -0.00583  -0.00517   2.11827
   A308       2.12252  -0.00001   0.00000   0.00062  -0.00227   2.12025
   A309       2.03651  -0.00002   0.00000   0.00805   0.00747   2.04397
   A310       1.32462  -0.00001  -0.00001  -0.03271  -0.03315   1.29147
   A311       3.03212   0.00000   0.00001   0.01422   0.01414   3.04625
   A312       1.90875   0.00000   0.00000  -0.01739  -0.01814   1.89061
   A313       1.93100   0.00000   0.00000  -0.00452  -0.00326   1.92774
   A314       1.90189   0.00002   0.00000  -0.00501  -0.00491   1.89698
   A315       1.91167   0.00001   0.00000   0.02523   0.02480   1.93647
   A316       1.91143   0.00000   0.00000  -0.01423  -0.01417   1.89726
   A317       1.89896  -0.00002   0.00000   0.01574   0.01503   1.91399
   A318       1.73132   0.00000   0.00000  -0.01491  -0.01467   1.71666
   A319       1.91364  -0.00001   0.00000   0.00645   0.00564   1.91929
   A320       1.91507   0.00000   0.00000  -0.01513  -0.01440   1.90067
   A321       1.92403   0.00000   0.00000   0.00791   0.00829   1.93232
   A322       1.90550   0.00001   0.00000   0.01337   0.01326   1.91876
   A323       1.91085   0.00000   0.00000  -0.01042  -0.01039   1.90046
   A324       1.89454   0.00000   0.00000  -0.00221  -0.00236   1.89219
   A325       2.93389   0.00000  -0.00001  -0.00356  -0.00490   2.92900
   A326       3.35347   0.00000   0.00000   0.00437   0.00377   3.35724
   A327       3.07203   0.00000   0.00000   0.00352   0.00296   3.07499
   A328       3.19385   0.00001  -0.00001   0.01654   0.01844   3.21230
   A329       3.26204   0.00000   0.00001  -0.06681  -0.06687   3.19517
   A330       3.26602   0.00000   0.00001  -0.03216  -0.03208   3.23394
   A331       3.64217   0.00000  -0.00001  -0.02533  -0.02505   3.61712
   A332       3.21122   0.00000   0.00000   0.03871   0.03906   3.25027
   A333       2.99950   0.00000  -0.00001   0.03517   0.03474   3.03424
   A334       2.93460   0.00000  -0.00001   0.03789   0.03759   2.97219
   A335       3.22889   0.00001   0.00001  -0.04309  -0.04240   3.18650
   A336       3.07873   0.00000   0.00000   0.00784   0.00815   3.08689
   A337       3.10166   0.00001   0.00000   0.00828   0.00839   3.11006
   A338       3.03793   0.00001   0.00000   0.01651   0.01682   3.05475
    D1        2.75872   0.00000   0.00000  -0.02176  -0.02227   2.73646
    D2       -1.36176   0.00001   0.00000  -0.00476  -0.00560  -1.36736
    D3        2.78170   0.00000   0.00001   0.03799   0.03816   2.81986
    D4       -1.33878   0.00000   0.00000   0.05499   0.05483  -1.28396
    D5        1.66434   0.00000   0.00000  -0.02177  -0.02224   1.64210
    D6       -2.45614   0.00000   0.00000  -0.00477  -0.00558  -2.46172
    D7        1.84626   0.00000   0.00001  -0.02561  -0.02620   1.82006
    D8       -2.27422   0.00000   0.00001  -0.00861  -0.00954  -2.28376
    D9        0.32466   0.00000   0.00001  -0.01323  -0.01318   0.31148
   D10        2.48737   0.00000   0.00000   0.00377   0.00348   2.49085
   D11        0.03949   0.00000   0.00001  -0.00336  -0.00339   0.03610
   D12        2.20219   0.00000   0.00001   0.01365   0.01328   2.21547
   D13       -0.42952   0.00000   0.00001  -0.00072  -0.00089  -0.43041
   D14        1.73319   0.00000   0.00001   0.01628   0.01577   1.74896
   D15       -0.55016   0.00000   0.00001   0.01359   0.01362  -0.53654
   D16        1.61254   0.00000   0.00001   0.03059   0.03028   1.64283
   D17        0.21884   0.00000   0.00001   0.00106   0.00118   0.22001
   D18        2.38154   0.00000   0.00001   0.01806   0.01784   2.39938
   D19        0.15393   0.00000   0.00001   0.00377   0.00403   0.15796
   D20        2.31664   0.00000   0.00001   0.02077   0.02069   2.33733
   D21        2.40691   0.00000   0.00001  -0.03350  -0.03371   2.37320
   D22       -1.71357   0.00000   0.00001  -0.01650  -0.01705  -1.73062
   D23        2.16207   0.00000   0.00001  -0.03462  -0.03472   2.12734
   D24       -1.95842   0.00000   0.00001  -0.01762  -0.01806  -1.97648
   D25        1.72064   0.00000   0.00001  -0.03600  -0.03625   1.68440
   D26       -2.39984   0.00000   0.00001  -0.01899  -0.01958  -2.41942
   D27        1.41366   0.00000   0.00001  -0.03976  -0.03952   1.37414
   D28       -2.70682   0.00000   0.00001  -0.02276  -0.02286  -2.72968
   D29        2.37088  -0.00001   0.00001  -0.02798  -0.02786   2.34302
   D30       -1.74960   0.00000   0.00001  -0.01098  -0.01120  -1.76080
   D31       -1.77855   0.00000   0.00001  -0.02715  -0.02551  -1.80406
   D32        0.38416   0.00000   0.00001  -0.01015  -0.00885   0.37531
   D33       -2.11661   0.00000   0.00002  -0.02673  -0.02576  -2.14237
   D34        0.04609   0.00000   0.00001  -0.00973  -0.00910   0.03699
   D35       -2.49590   0.00000   0.00002  -0.02670  -0.02605  -2.52195
   D36       -0.33319   0.00001   0.00002  -0.00970  -0.00939  -0.34258
   D37       -2.78066   0.00000   0.00002  -0.03412  -0.03356  -2.81423
   D38       -0.61796   0.00000   0.00002  -0.01711  -0.01690  -0.63486
   D39       -2.12563  -0.00001   0.00001  -0.03668  -0.03631  -2.16193
   D40        0.03708  -0.00001   0.00001  -0.01968  -0.01965   0.01743
   D41       -2.37278  -0.00001   0.00001  -0.07129  -0.07227  -2.44506
   D42       -0.21008  -0.00001   0.00001  -0.05429  -0.05561  -0.26569
   D43        1.26190   0.00001  -0.00001  -0.09118  -0.09136   1.17053
   D44       -1.92178   0.00001   0.00001  -0.05776  -0.05806  -1.97985
   D45        2.45858   0.00000  -0.00001  -0.09872  -0.09946   2.35912
   D46       -0.72510   0.00000   0.00002  -0.06530  -0.06616  -0.79126
   D47        2.94538   0.00000   0.00000  -0.09910  -0.10012   2.84526
   D48       -0.23830   0.00000   0.00002  -0.06568  -0.06682  -0.30512
   D49        2.86253   0.00000  -0.00001  -0.07882  -0.07776   2.78477
   D50       -0.32115   0.00000   0.00001  -0.04539  -0.04446  -0.36561
   D51        2.05374   0.00000   0.00000  -0.06054  -0.05988   1.99386
   D52       -1.12994   0.00000   0.00002  -0.02712  -0.02658  -1.15652
   D53        1.17002   0.00000   0.00001  -0.05009  -0.04946   1.12056
   D54       -2.01366   0.00000   0.00003  -0.01667  -0.01616  -2.02983
   D55        1.02685   0.00000   0.00000  -0.04015  -0.03982   0.98703
   D56       -2.15683   0.00000   0.00002  -0.00673  -0.00652  -2.16335
   D57        2.02686   0.00000   0.00000  -0.06584  -0.06552   1.96134
   D58       -1.15682   0.00000   0.00002  -0.03242  -0.03222  -1.18905
   D59        1.83320   0.00000   0.00000  -0.06852  -0.06826   1.76494
   D60       -1.35048   0.00000   0.00002  -0.03510  -0.03496  -1.38544
   D61       -2.27169   0.00001   0.00000  -0.10418  -0.10426  -2.37595
   D62        0.82782   0.00000   0.00002  -0.07076  -0.07097   0.75685
   D63       -2.40877   0.00000   0.00000  -0.09891  -0.09873  -2.50750
   D64        0.69073   0.00000   0.00002  -0.06549  -0.06543   0.62530
   D65       -2.81124   0.00000   0.00000  -0.09988  -0.09970  -2.91095
   D66        0.28826   0.00000   0.00002  -0.06645  -0.06641   0.22186
   D67       -2.98983   0.00000   0.00000  -0.10508  -0.10463  -3.09447
   D68        0.10967   0.00000   0.00002  -0.07166  -0.07134   0.03834
   D69       -2.13411   0.00000   0.00000  -0.09145  -0.09118  -2.22529
   D70        0.96539   0.00000   0.00002  -0.05803  -0.05788   0.90751
   D71       -0.16416  -0.00001   0.00000  -0.13252  -0.13239  -0.29655
   D72        2.93534  -0.00001   0.00002  -0.09910  -0.09909   2.83626
   D73       -0.55758   0.00000   0.00000  -0.12801  -0.12775  -0.68533
   D74        2.54192   0.00000   0.00002  -0.09459  -0.09445   2.44747
   D75       -0.73896   0.00000   0.00001  -0.11007  -0.10906  -0.84802
   D76        2.36054   0.00000   0.00003  -0.07665  -0.07576   2.28478
   D77       -1.07740   0.00000   0.00001  -0.10826  -0.10711  -1.18451
   D78        2.02211   0.00000   0.00003  -0.07484  -0.07381   1.94830
   D79       -0.83144  -0.00001   0.00000  -0.14212  -0.14224  -0.97368
   D80        2.26807  -0.00001   0.00002  -0.10869  -0.10894   2.15912
   D81       -1.13803   0.00000  -0.00001  -0.15030  -0.14937  -1.28740
   D82        1.96147   0.00000   0.00002  -0.11688  -0.11607   1.84540
   D83       -1.53450   0.00000   0.00000  -0.01899  -0.01914  -1.55363
   D84       -2.60937   0.00000   0.00000  -0.03665  -0.03771  -2.64708
   D85       -2.94818   0.00000   0.00001   0.00746   0.00823  -2.93995
   D86        0.73470   0.00000   0.00000  -0.02374  -0.02363   0.71107
   D87        0.31181   0.00000   0.00000  -0.01885  -0.01892   0.29289
   D88       -0.06301   0.00000   0.00000  -0.01585  -0.01637  -0.07938
   D89       -0.39934   0.00000   0.00000  -0.00420  -0.00485  -0.40419
   D90        0.18429   0.00000   0.00000  -0.01402  -0.01410   0.17018
   D91       -0.05306   0.00000   0.00000  -0.01525  -0.01537  -0.06843
   D92        2.40494   0.00001   0.00001  -0.03353  -0.03323   2.37171
   D93        2.05557   0.00000   0.00001  -0.03302  -0.03276   2.02281
   D94        1.66302   0.00000   0.00001  -0.03309  -0.03303   1.62999
   D95        1.37533   0.00000   0.00001  -0.03742  -0.03708   1.33825
   D96        2.05679   0.00000   0.00000  -0.02875  -0.02844   2.02835
   D97       -1.92466   0.00000   0.00001  -0.04721  -0.04651  -1.97117
   D98       -2.44056   0.00000   0.00001  -0.06921  -0.07017  -2.51074
   D99       -2.66540   0.00000   0.00001  -0.04896  -0.04845  -2.71385
   D100      -2.99136   0.00000   0.00001  -0.04702  -0.04622  -3.03757
   D101      -2.88449  -0.00001   0.00001  -0.12744  -0.13011  -3.01460
   D102       2.86400   0.00000   0.00000  -0.11691  -0.11242   2.75158
   D103      -2.90009   0.00000   0.00001   0.02248   0.02286  -2.87723
   D104       1.19716   0.00000   0.00001   0.02465   0.02501   1.22216
   D105       2.81201   0.00000   0.00000   0.02377   0.02414   2.83615
   D106       0.62608   0.00000   0.00000   0.02593   0.02628   0.65236
   D107       2.31602   0.00000   0.00001   0.00815   0.00735   2.32336
   D108       0.13008   0.00000   0.00001   0.01031   0.00949   0.13957
   D109       1.75940   0.00000   0.00001  -0.02327  -0.02273   1.73667
   D110      -0.42653   0.00000   0.00001  -0.02111  -0.02059  -0.44712
   D111       2.59333   0.00000   0.00001   0.02275   0.02326   2.61659
   D112       0.40739   0.00000   0.00001   0.02491   0.02541   0.43280
   D113       2.25642   0.00000   0.00000   0.02257   0.02331   2.27973
   D114       0.07049   0.00000   0.00000   0.02473   0.02545   0.09594
   D115      -1.61170   0.00000   0.00000   0.00203   0.00196  -1.60974
   D116       2.48555   0.00000   0.00000   0.00420   0.00411   2.48966
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   D347       0.57939  -0.00001   0.00000  -0.00619  -0.00698   0.57240
   D348      -1.30458   0.00000   0.00000  -0.00212  -0.00332  -1.30791
   D349       0.88107   0.00000   0.00000   0.00290   0.00169   0.88276
   D350       1.80036   0.00000   0.00000   0.04239   0.04284   1.84321
   D351      -2.29717   0.00000   0.00000   0.04741   0.04786  -2.24931
   D352       2.22523   0.00001   0.00000   0.04976   0.04924   2.27447
   D353      -1.87230   0.00001   0.00001   0.05478   0.05426  -1.81805
   D354       2.44381   0.00001   0.00001   0.08414   0.08109   2.52490
   D355      -1.65372   0.00001   0.00001   0.08916   0.08610  -1.56762
   D356       3.08524   0.00001   0.00001   0.03128   0.03142   3.11666
   D357      -1.01229   0.00001   0.00001   0.03630   0.03643  -0.97586
   D358       2.56092   0.00000   0.00000   0.01833   0.01809   2.57901
   D359      -1.53661   0.00000   0.00000   0.02336   0.02310  -1.51351
   D360       1.61347  -0.00001  -0.00001  -0.01643  -0.01675   1.59672
   D361      -2.48406  -0.00001   0.00000  -0.01140  -0.01173  -2.49580
   D362       1.78132  -0.00001   0.00000  -0.01420  -0.01408   1.76724
   D363      -2.31621  -0.00001   0.00000  -0.00918  -0.00907  -2.32528
   D364       2.73967  -0.00002   0.00000  -0.00419  -0.00436   2.73531
   D365      -1.35786  -0.00002   0.00000   0.00083   0.00065  -1.35721
   D366       2.71701  -0.00001  -0.00001  -0.01929  -0.01904   2.69798
   D367      -1.38052  -0.00001   0.00000  -0.01427  -0.01402  -1.39454
   D368       0.04009   0.00001   0.00000   0.04351   0.04374   0.08383
   D369      -2.58376   0.00001  -0.00003  -0.04298  -0.04274  -2.62650
   D370       0.43976   0.00000   0.00000   0.04941   0.04981   0.48957
   D371      -2.18409   0.00000  -0.00003  -0.03708  -0.03667  -2.22076
   D372       0.64812   0.00001   0.00000   0.05441   0.05569   0.70381
   D373      -1.97572   0.00001  -0.00002  -0.03208  -0.03079  -2.00652
   D374       0.91970   0.00001   0.00000   0.03229   0.02919   0.94889
   D375      -1.70415   0.00001  -0.00003  -0.05420  -0.05729  -1.76144
   D376       0.68587   0.00000   0.00000   0.06304   0.06334   0.74921
   D377      -1.93798   0.00000  -0.00003  -0.02345  -0.02314  -1.96112
   D378       1.02422   0.00000   0.00000   0.06892   0.06905   1.09327
   D379      -1.59962   0.00000  -0.00003  -0.01757  -0.01744  -1.61706
   D380      -2.78351   0.00001   0.00001   0.03139   0.03218  -2.75132
   D381       0.87583   0.00001  -0.00002  -0.05510  -0.05430   0.82153
   D382      -2.22454   0.00001   0.00001   0.02484   0.02514  -2.19940
   D383       1.43480   0.00001  -0.00002  -0.06165  -0.06134   1.37346
   D384      -1.98042   0.00001   0.00000   0.04932   0.04966  -1.93076
   D385       1.67892   0.00001  -0.00002  -0.03717  -0.03683   1.64209
   D386      -1.64742   0.00000   0.00000   0.06359   0.06334  -1.58407
   D387       2.01192   0.00000  -0.00003  -0.02290  -0.02314   1.98878
   D388      -1.69757   0.00000   0.00001   0.00211   0.00063  -1.69694
   D389       1.96177   0.00000  -0.00002  -0.08438  -0.08585   1.87591
   D390      -1.10490   0.00000   0.00000   0.04612   0.04633  -1.05857
   D391       2.55444   0.00000  -0.00003  -0.04037  -0.04015   2.51428
   D392       1.77938   0.00000   0.00000   0.04994   0.04994   1.82932
   D393      -0.84446   0.00000  -0.00003  -0.03655  -0.03654  -0.88101
   D394       2.07873   0.00000   0.00000   0.05711   0.05714   2.13586
   D395      -0.54512   0.00000  -0.00003  -0.02938  -0.02934  -0.57447
   D396       2.02240   0.00000   0.00000   0.06666   0.06694   2.08933
   D397      -0.60145   0.00000  -0.00003  -0.01983  -0.01955  -0.62100
   D398       2.21828   0.00000   0.00000   0.06478   0.06494   2.28321
   D399      -0.40557   0.00000  -0.00002  -0.02171  -0.02155  -0.42712
   D400       2.48049   0.00000   0.00000   0.05198   0.05182   2.53231
   D401      -0.14336   0.00000  -0.00003  -0.03451  -0.03466  -0.17802
   D402      -1.52687  -0.00001  -0.00001  -0.00216  -0.00288  -1.52975
   D403       2.13247  -0.00001  -0.00003  -0.08865  -0.08936   2.04310
   D404      -2.62655  -0.00001  -0.00001   0.00989   0.01006  -2.61648
   D405       1.03279  -0.00001  -0.00003  -0.07660  -0.07642   0.95637
   D406      -2.98995   0.00000  -0.00001  -0.00087  -0.00062  -2.99057
   D407       0.66939  -0.00001  -0.00004  -0.08736  -0.08711   0.58229
   D408       1.89746   0.00001   0.00001   0.03851   0.03929   1.93676
   D409       2.38911   0.00001   0.00001   0.06598   0.06778   2.45690
   D410       2.62092   0.00001   0.00001   0.06429   0.06596   2.68687
   D411       2.85469   0.00001   0.00001   0.02856   0.02532   2.88001
   D412       2.80640   0.00002   0.00001   0.12881   0.13250   2.93890
   D413      -2.97900   0.00001   0.00001   0.11565   0.11492  -2.86407
   D414      -0.76833   0.00001   0.00001   0.03183   0.03247  -0.73586
   D415      -0.38699   0.00001   0.00001   0.02539   0.02542  -0.36157
   D416      -0.07865   0.00001   0.00001   0.04560   0.04522  -0.03343
   D417       0.23047   0.00001   0.00001   0.03997   0.03831   0.26878
   D418      -0.24954   0.00000   0.00001  -0.00409  -0.00425  -0.25379
   D419       0.06451   0.00000   0.00001  -0.01078  -0.01225   0.05225
   D420      -2.57853   0.00000   0.00001   0.04970   0.04972  -2.52881
   D421      -2.19532   0.00000   0.00001   0.04800   0.04799  -2.14733
   D422      -1.95373   0.00000   0.00001   0.05397   0.05428  -1.89945
   D423      -1.63894   0.00000   0.00001   0.04724   0.04769  -1.59126
   D424      -1.97806   0.00000   0.00001   0.03391   0.03375  -1.94431
   D425       1.33960  -0.00001   0.00001   0.01787   0.01704   1.35664
   D426       2.48684  -0.00001   0.00000   0.01766   0.01766   2.50450
   D427       2.95502   0.00000   0.00000   0.01513   0.01546   2.97048
   D428      -3.06990  -0.00006   0.00000  -0.05314  -0.05268  -3.12259
   D429       0.03160  -0.00006   0.00000  -0.00148  -0.00121   0.03039
   D430       0.04298  -0.00003   0.00000  -0.09616  -0.09490  -0.05192
   D431      -3.13870  -0.00002   0.00000  -0.04450  -0.04343   3.10106
   D432      -0.08134  -0.00001  -0.00002  -0.20635  -0.20655  -0.28789
   D433       2.01756   0.00000  -0.00001  -0.15255  -0.15226   1.86530
   D434      -2.17882   0.00000  -0.00001  -0.18501  -0.18627  -2.36509
   D435       3.09828  -0.00001  -0.00002  -0.25602  -0.25519   2.84309
   D436      -1.08601   0.00000  -0.00001  -0.20222  -0.20090  -1.28691
   D437       1.00080   0.00000  -0.00001  -0.23468  -0.23491   0.76589
   D438      -2.36782   0.00000   0.00001  -0.06087  -0.06097  -2.42878
   D439      -0.27722   0.00000   0.00001  -0.05425  -0.05486  -0.33208
   D440       1.82986   0.00000   0.00001  -0.05587  -0.05617   1.77369
   D441       0.73570   0.00000   0.00001  -0.01109  -0.01228   0.72342
   D442       2.82630   0.00000   0.00001  -0.00447  -0.00617   2.82013
   D443      -1.34981   0.00000   0.00001  -0.00608  -0.00748  -1.35729
   D444      -0.00121   0.00001   0.00000   0.03610   0.03619   0.03498
   D445       3.11380   0.00001   0.00000  -0.00395  -0.00400   3.10980
   D446      -3.12145   0.00001   0.00000   0.03979   0.03999  -3.08146
   D447      -0.00644   0.00001   0.00000  -0.00026  -0.00020  -0.00664
   D448       2.42480   0.00000  -0.00001   0.03323   0.03321   2.45802
   D449      -1.77408   0.00000  -0.00001   0.03897   0.03867  -1.73541
   D450       0.33390   0.00001  -0.00001   0.04374   0.04361   0.37752
   D451      -0.69148   0.00000  -0.00001   0.07141   0.07161  -0.61987
   D452       1.39282   0.00000  -0.00001   0.07716   0.07707   1.46989
   D453      -2.78238   0.00001  -0.00001   0.08193   0.08201  -2.70037
   D454       2.06084   0.00000   0.00000   0.00942   0.00948   2.07032
   D455      -2.13782   0.00000   0.00000   0.00966   0.00969  -2.12812
   D456      -0.04447   0.00000   0.00000   0.01100   0.01097  -0.03349
   D457      -1.10603   0.00000   0.00000  -0.02876  -0.02894  -1.13497
   D458       0.97850   0.00000   0.00000  -0.02851  -0.02873   0.94977
   D459       3.07185   0.00000   0.00000  -0.02717  -0.02745   3.04440
   D460      -3.09077   0.00003   0.00001   0.01987   0.01987  -3.07091
   D461      -0.03035   0.00003   0.00001   0.02291   0.02305  -0.00730
   D462       0.06396   0.00001   0.00000   0.01864   0.01866   0.08262
   D463       3.12438   0.00002   0.00000   0.02168   0.02185  -3.13696
   D464       1.94296  -0.00002  -0.00001   0.01167   0.01171   1.95467
   D465      -2.25752  -0.00001  -0.00001   0.02299   0.02359  -2.23393
   D466      -0.16468  -0.00001  -0.00001   0.00936   0.00945  -0.15523
   D467      -1.12077  -0.00002  -0.00001   0.01002   0.00984  -1.11092
   D468       0.96194  -0.00001  -0.00001   0.02134   0.02173   0.98367
   D469       3.05478  -0.00002  -0.00001   0.00770   0.00759   3.06237
   D470      -1.65147   0.00001  -0.00001   0.04360   0.04346  -1.60801
   D471       0.45281   0.00002  -0.00001   0.04339   0.04340   0.49621
   D472       2.54517   0.00001  -0.00001   0.04274   0.04281   2.58798
   D473       1.41259   0.00001  -0.00001   0.04524   0.04529   1.45788
   D474      -2.76632   0.00002  -0.00001   0.04503   0.04523  -2.72109
   D475      -0.67395   0.00001  -0.00001   0.04438   0.04464  -0.62932
   D476      -0.00032   0.00001   0.00000  -0.00012  -0.00048  -0.00080
   D477      -3.09994   0.00001  -0.00002  -0.08369  -0.08345   3.09980
   D478       3.11629   0.00000   0.00000  -0.00846  -0.00882   3.10746
   D479       0.01666   0.00000  -0.00002  -0.09203  -0.09179  -0.07513
   D480      -0.35397   0.00000  -0.00004  -0.09008  -0.08982  -0.44379
   D481       1.75320   0.00000  -0.00004  -0.07286  -0.07286   1.68034
   D482      -2.44290  -0.00001  -0.00004  -0.05940  -0.05946  -2.50236
   D483       2.74762   0.00000  -0.00002  -0.01058  -0.01054   2.73708
   D484      -1.42839   0.00000  -0.00002   0.00664   0.00642  -1.42197
   D485       0.65869  -0.00001  -0.00002   0.02010   0.01982   0.67851
   D486       0.00311  -0.00001   0.00002   0.09774   0.09766   0.10077
   D487       2.09579  -0.00001   0.00003   0.10882   0.10848   2.20427
   D488      -2.10177  -0.00001   0.00003   0.10152   0.10165  -2.00012
   D489      -3.09850  -0.00001   0.00000   0.01845   0.01835  -3.08015
   D490      -1.00582   0.00000   0.00001   0.02953   0.02917  -0.97665
   D491       1.07981   0.00000   0.00001   0.02223   0.02234   1.10215
         Item               Value     Threshold  Converged?
 Maximum Force            0.000082     0.000450     YES
 RMS     Force            0.000009     0.000300     YES
 Maximum Displacement     0.480621     0.001800     NO 
 RMS     Displacement     0.044771     0.001200     NO 
 Predicted change in Energy=-3.680086D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:36:05 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.853777   -0.569446    1.657681
      2          6           0       -2.110699    1.057782   -1.371985
      3          8           0       -2.637951    0.093260   -1.949445
      4          7           0       -0.827249    1.096396   -0.915846
      5          1           0       -2.671276    1.975266   -1.104355
      6          6           0       -0.272353    2.268211   -0.216867
      7          1           0       -0.913274    3.141979   -0.391964
      8          1           0       -0.157286    2.062687    0.866986
      9          1           0        0.728209    2.441839   -0.645738
     10          6           0        0.106764   -0.020933   -1.097573
     11          1           0        0.694350   -0.155245   -0.176461
     12          1           0       -0.448733   -0.942869   -1.314728
     13          1           0        0.798698    0.194497   -1.928850
     14          6           0       -1.990207   -3.974708    2.594203
     15          8           0       -2.150781   -3.818890    3.816570
     16          7           0       -2.914666   -3.699074    1.635047
     17          1           0       -1.036585   -4.341572    2.165860
     18          6           0       -4.224401   -3.129951    1.971476
     19          1           0       -4.487653   -2.386984    1.201242
     20          1           0       -5.000578   -3.912074    1.997434
     21          1           0       -4.162450   -2.636962    2.951257
     22          6           0       -2.620138   -3.878667    0.212888
     23          1           0       -3.301928   -4.625273   -0.226304
     24          1           0       -2.758394   -2.921325   -0.319056
     25          1           0       -1.581439   -4.215387    0.089260
     26          6           0        1.532007    0.383300    2.606475
     27          8           0        1.386176    1.407205    3.293591
     28          7           0        1.135799   -0.870479    2.962637
     29          1           0        2.004093    0.411381    1.604843
     30          6           0        1.433744   -2.024482    2.116870
     31          1           0        2.159661   -2.696875    2.603720
     32          1           0        0.513860   -2.596015    1.916332
     33          1           0        1.843294   -1.676025    1.158381
     34          6           0        0.484075   -1.110566    4.252126
     35          1           0        1.223184   -1.380222    5.026607
     36          1           0       -0.048702   -0.203403    4.560753
     37          1           0       -0.227775   -1.941332    4.140477
     38          6           0       -4.638875    1.208494    3.026942
     39          8           0       -4.991240    1.889779    2.052189
     40          7           0       -3.481500    1.350274    3.733896
     41          1           0       -5.254290    0.364968    3.400639
     42          6           0       -2.485291    2.387282    3.381494
     43          1           0       -2.599393    2.627812    2.315565
     44          1           0       -2.626332    3.283380    4.004362
     45          1           0       -1.479547    1.978690    3.544493
     46          6           0       -3.194558    0.521846    4.899068
     47          1           0       -3.973203   -0.243936    5.015725
     48          1           0       -2.209179    0.039694    4.761769
     49          1           0       -3.157441    1.136805    5.816210
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.448588   0.000000
     3  O    3.750396   1.241676   0.000000
     4  N    3.232929   1.362643   2.313709   0.000000
     5  H    3.843528   1.107994   2.063306   2.051435   0.000000
     6  C    3.750617   2.485750   3.650794   1.472967   2.574546
     7  H    4.342841   2.595794   3.833399   2.113354   2.226947
     8  H    3.229768   3.136661   4.238469   2.135663   3.195931
     9  H    4.586963   3.240748   4.306567   2.074278   3.461867
    10  C    3.425786   2.481142   2.876141   1.467592   3.420871
    11  H    3.166795   3.281617   3.782784   2.104414   4.089927
    12  H    3.308899   2.601540   2.503818   2.112104   3.674162
    13  H    4.525753   3.085442   3.438202   2.117382   3.986434
    14  C    3.534331   6.408675   6.132917   6.276066   7.038848
    15  O    3.912532   7.120719   6.984925   6.950362   7.619624
    16  N    3.304629   5.684741   5.225605   5.819012   6.305688
    17  H    3.892940   6.543935   6.258421   6.253977   7.298559
    18  C    3.503500   5.760518   5.317850   6.143230   6.159235
    19  H    3.232505   4.913026   4.415862   5.478554   5.257778
    20  H    4.603363   6.663622   6.099390   7.140633   7.050356
    21  H    3.358263   6.045761   5.813354   6.325821   6.320145
    22  C    3.691298   5.209595   4.522411   5.407378   6.000523
    23  H    4.700668   5.918507   5.067014   6.271922   6.688484
    24  H    3.202680   4.166709   3.429344   4.497506   4.959928
    25  H    3.978317   5.497423   4.882312   5.458395   6.398175
    26  C    3.643003   5.436210   6.182967   4.298993   5.828569
    27  O    4.132874   5.841047   6.738655   4.766048   6.010619
    28  N    3.275835   5.748642   6.268854   4.771245   6.255598
    29  H    3.980952   5.119653   5.855146   3.852222   5.625351
    30  C    3.624332   5.851114   6.131757   4.904012   6.574608
    31  H    4.639895   6.938274   7.178666   5.974770   7.675720
    32  H    3.127233   5.572393   5.666599   4.842902   6.337685
    33  H    3.891292   5.432358   5.733281   4.372703   6.231633
    34  C    3.534050   6.562409   7.046682   5.770458   6.940497
    35  H    4.634081   7.615813   8.108317   6.756527   8.000926
    36  H    3.438038   6.406231   7.012482   5.682319   6.611955
    37  H    3.269591   6.551894   6.858255   5.929044   6.987038
    38  C    3.576690   5.075918   5.478309   5.485128   4.639720
    39  O    4.005883   4.551341   4.977803   5.174699   3.918331
    40  N    3.262740   5.294777   5.881498   5.360000   4.945276
    41  H    3.933767   5.756744   5.961750   6.226213   5.436911
    42  C    3.480313   4.950096   5.805580   4.783578   4.508569
    43  H    3.348315   4.037554   4.961426   3.990958   3.482361
    44  H    4.576900   5.841598   6.754614   5.676975   5.273725
    45  H    3.192663   5.041644   5.922845   4.593316   4.799168
    46  C    3.673581   6.386555   6.884449   6.304561   6.198980
    47  H    3.984267   6.779840   7.100013   6.846682   6.638920
    48  H    3.183194   6.218452   6.725110   5.938153   6.194465
    49  H    4.680191   7.264438   7.852659   7.124044   6.988104
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.097684   0.000000
     8  H    1.109152   1.822456   0.000000
     9  H    1.102362   1.802516   1.793375   0.000000
    10  C    2.481844   3.397407   2.875880   2.579844   0.000000
    11  H    2.609461   3.674586   2.594858   2.639359   1.100792
    12  H    3.398153   4.213464   3.725343   3.645407   1.098043
    13  H    2.894534   3.739053   3.495818   2.588802   1.102817
    14  C    7.058836   7.792574   6.541636   7.684991   5.801623
    15  O    7.539888   8.227812   6.875101   8.209599   6.608312
    16  N    6.783796   7.410422   6.433580   7.495555   5.488622
    17  H    7.067578   7.909564   6.593540   7.552102   5.534000
    18  C    7.039011   7.475729   6.687660   7.900823   6.151750
    19  H    6.438217   6.773768   6.217988   7.343984   5.656096
    20  H    8.090436   8.495584   7.773876   8.954194   7.127762
    21  H    7.016450   7.424987   6.517071   7.915247   6.439162
    22  C    6.594004   7.250428   6.464763   7.203990   4.902592
    23  H    7.529843   8.127935   7.470801   8.146289   5.794674
    24  H    5.755182   6.338253   5.745679   6.405205   4.150601
    25  H    6.621515   7.403301   6.484387   7.084727   4.674617
    26  C    3.844459   4.751879   2.949555   3.931992   3.989323
    27  O    3.976853   4.677631   2.949634   4.125736   4.791534
    28  N    4.684390   5.617105   3.829789   4.915074   4.273868
    29  H    3.456682   4.467039   2.818298   3.288731   3.330136
    30  C    5.175355   6.204439   4.560541   5.298850   4.013443
    31  H    6.206648   7.246328   5.571168   6.246152   5.007456
    32  H    5.369298   6.347403   4.822350   5.655981   3.985022
    33  H    4.682335   5.763281   4.250318   4.631962   3.293053
    34  C    5.653336   6.450140   4.684021   6.055432   5.472563
    35  H    6.560618   7.373986   5.573308   6.857744   6.371785
    36  H    5.383730   6.038914   4.334843   5.891388   5.663402
    37  H    6.058769   6.844924   5.172318   6.560027   5.589008
    38  C    5.541824   5.413630   5.047741   6.619314   6.406574
    39  O    5.249735   4.916473   4.980132   6.347888   6.289790
    40  N    5.172017   5.179644   4.447145   6.172063   6.172433
    41  H    6.444252   6.398442   5.939789   7.515109   7.008832
    42  C    4.226047   4.156897   3.442051   5.152490   5.707914
    43  H    3.457982   3.230802   2.895105   4.458345   5.097906
    44  H    4.938680   4.720408   4.174854   5.795219   6.664685
    45  H    3.960929   4.143622   2.987385   4.758858   5.297513
    46  C    6.145068   6.329643   5.277963   7.058283   6.866807
    47  H    6.883835   7.076065   6.090465   7.833826   7.353113
    48  H    5.788298   6.153415   4.844801   6.606034   6.300726
    49  H    6.782464   6.899162   5.861143   7.652330   7.732773
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795171   0.000000
    13  H    1.789993   1.796338   0.000000
    14  C    5.428786   5.181499   6.754129   0.000000
    15  O    6.120569   6.123618   7.603720   1.242676   0.000000
    16  N    5.372642   4.730610   6.453707   1.360360   2.314502
    17  H    5.099797   4.900127   6.380504   1.107909   2.058999
    18  C    6.136498   5.462429   7.176072   2.468405   2.859879
    19  H    5.807915   4.972771   6.663860   3.270847   3.788307
    20  H    7.160432   6.364424   8.118573   3.069591   3.382201
    21  H    6.287292   5.904259   7.513028   2.575984   2.488480
    22  C    5.000129   3.958222   5.732900   2.465096   3.634611
    23  H    5.996155   4.783878   6.553166   3.177910   4.280213
    24  H    4.426394   3.200029   4.995266   3.191677   4.275304
    25  H    4.662035   3.736788   5.402305   2.549462   3.791332
    26  C    2.955746   4.588888   4.598104   5.603425   5.717138
    27  O    3.867963   5.488747   5.393486   6.391720   6.332112
    28  N    3.249673   4.561999   5.017415   4.420847   4.497103
    29  H    2.282442   4.046511   3.739920   6.014237   6.328500
    30  C    3.049609   4.060723   4.657789   3.969215   4.354045
    31  H    4.041834   5.023394   5.545849   4.342159   4.616258
    32  H    3.220204   3.754894   4.759571   2.937798   3.493801
    33  H    2.326940   3.450677   3.757795   4.694811   5.254567
    34  C    4.535332   5.646957   6.325081   4.132081   3.803577
    35  H    5.371420   6.572604   7.144110   4.793102   4.335313
    36  H    4.795378   5.935328   6.556780   4.675414   4.247857
    37  H    4.761972   5.550227   6.515531   3.103505   2.707045
    38  C    6.369055   6.405915   7.426659   5.836804   5.664690
    39  O    6.440104   6.324113   7.228142   6.610006   6.615902
    40  N    5.915674   6.320189   7.191843   5.646085   5.338343
    41  H    6.960789   6.858463   8.066671   5.489750   5.225843
    42  C    5.406811   6.106716   6.617601   6.429607   6.230390
    43  H    4.980396   5.527579   5.956770   6.636416   6.634323
    44  H    6.350618   7.134132   7.514988   7.421121   7.120650
    45  H    4.808846   5.762822   6.191222   6.050353   5.842647
    46  C    6.429856   6.949548   7.916674   5.194406   4.593829
    47  H    6.982314   7.279082   8.437440   4.869774   4.188018
    48  H    5.731893   6.402220   7.337280   4.567462   3.973095
    49  H    7.240013   7.906480   8.747853   6.153968   5.437908
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.054691   0.000000
    18  C    1.467137   3.415843   0.000000
    19  H    2.093814   4.081761   1.102071   0.000000
    20  H    2.127844   3.990749   1.102199   1.795247   0.000000
    21  H    2.101774   3.646036   1.098566   1.797442   1.799485
    22  C    1.463399   2.556564   2.495369   2.586421   2.975267
    23  H    2.114816   3.306768   2.813748   2.907537   2.887746
    24  H    2.108989   3.340139   2.727496   2.363719   3.372699
    25  H    2.105595   2.150594   3.421425   3.609105   3.927294
    26  C    6.114111   5.395945   6.773654   6.773881   7.841928
    27  O    6.879106   6.339557   7.335690   7.299018   8.412216
    28  N    5.115633   4.171641   5.900792   6.084859   6.916504
    29  H    6.410222   5.670188   7.174231   7.080715   8.240863
    30  C    4.684558   3.387305   5.766958   6.002727   6.706547
    31  H    5.262273   3.621151   6.429893   6.800718   7.287888
    32  H    3.612569   2.348002   4.768568   5.056697   5.669887
    33  H    5.192121   4.051401   6.292212   6.370886   7.248621
    34  C    5.010082   4.135737   5.607943   5.971199   6.558468
    35  H    5.831085   4.696810   6.486259   6.946989   7.370304
    36  H    5.384535   4.882199   5.718872   5.979852   6.696710
    37  H    4.072618   3.211610   4.700042   5.194638   5.590716
    38  C    5.384653   6.672420   4.484183   4.035283   5.235545
    39  O    5.976742   7.381189   5.078607   4.389580   5.802119
    40  N    5.497488   6.390106   4.871390   4.625341   5.745886
    41  H    5.010748   6.439350   3.913775   3.605318   4.508486
    42  C    6.346508   6.989563   5.954201   5.617524   6.922729
    43  H    6.371184   7.144025   5.992569   5.473155   6.974024
    44  H    7.379123   8.002954   6.915003   6.593560   7.838327
    45  H    6.159753   6.484023   6.008895   5.796433   7.035066
    46  C    5.343064   5.981648   4.792389   4.879274   5.598289
    47  H    4.948481   5.791034   4.202337   4.405405   4.860125
    48  H    4.924682   5.225822   4.679050   4.874174   5.572247
    49  H    6.397405   6.916336   5.841712   5.956886   6.593284
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.379234   0.000000
    23  H    3.845877   1.102338   0.000000
    24  H    3.570320   1.103894   1.790942   0.000000
    25  H    4.164621   1.098890   1.796572   1.796257   0.000000
    26  C    6.455052   6.413574   7.515143   6.155227   6.097364
    27  O    6.874571   7.313120   8.411824   6.997489   7.119552
    28  N    5.584982   5.542325   6.630327   5.490010   5.179583
    29  H    7.009385   6.459533   7.541542   6.122875   6.046488
    30  C    5.691109   4.847382   5.889072   4.930728   4.242947
    31  H    6.331939   5.473498   6.446449   5.725404   4.756492
    32  H    4.789637   3.790628   4.823797   3.976233   3.217272
    33  H    6.340880   5.066341   6.090051   4.990903   4.395472
    34  C    5.060864   5.797755   6.836909   5.889666   5.588893
    35  H    5.906905   6.647198   7.655069   6.841350   6.346768
    36  H    5.043373   6.246901   7.283703   6.208226   6.199964
    37  H    4.168910   4.990253   5.976850   5.220330   4.839018
    38  C    3.875595   6.154137   6.812039   5.638024   6.884502
    39  O    4.688987   6.502317   7.105717   5.809917   7.263118
    40  N    4.119983   6.362489   7.170955   5.932610   6.918828
    41  H    3.225777   5.925281   6.470622   5.555660   6.740528
    42  C    5.314225   7.022846   7.928369   6.476880   7.433101
    43  H    5.528571   6.837832   7.717636   6.144871   7.267877
    44  H    6.206379   8.103717   8.994541   7.563580   8.523575
    45  H    5.371605   6.834410   7.819994   6.369663   7.093349
    46  C    3.835212   6.454050   7.264558   6.266936   6.941022
    47  H    3.166136   6.173273   6.864808   6.091310   6.764837
    48  H    3.775939   6.017870   6.916422   5.906273   6.350757
    49  H    4.843482   7.539289   8.350713   7.366760   7.995480
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.241683   0.000000
    28  N    1.362276   2.315182   0.000000
    29  H    1.107665   2.055568   2.059298   0.000000
    30  C    2.459021   3.628142   1.461443   2.553605   0.000000
    31  H    3.143475   4.232928   2.124344   3.268518   1.102765
    32  H    3.223234   4.322447   2.111643   3.370794   1.101387
    33  H    2.536671   3.778147   2.098760   2.140666   1.099024
    34  C    2.457227   2.841082   1.464639   3.410995   2.509270
    35  H    3.010385   3.286284   2.127780   3.940575   2.987638
    36  H    2.581098   2.501726   2.098097   3.650936   3.389181
    37  H    3.294527   3.812447   2.096036   4.116544   2.619647
    38  C    6.239994   6.034221   6.137843   6.840086   6.939530
    39  O    6.717847   6.515013   6.781486   7.163831   7.523699
    40  N    5.228898   4.887881   5.181316   5.958701   6.177652
    41  H    6.832632   6.722612   6.523144   7.477377   7.217156
    42  C    4.555796   3.994562   4.888838   5.216823   6.035045
    43  H    4.710726   4.281492   5.158333   5.158467   6.160318
    44  H    5.258930   4.486139   5.700295   5.953731   6.944080
    45  H    3.534771   2.932902   3.911056   4.284209   5.152743
    46  C    5.255054   4.934018   4.943715   6.155493   5.970393
    47  H    6.041958   5.866426   5.541627   6.913149   6.388176
    48  H    4.331262   4.117306   3.905658   5.277878   4.952495
    49  H    5.732459   5.203957   5.532086   6.700991   6.690130
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.786431   0.000000
    33  H    1.797561   1.785571   0.000000
    34  C    2.835703   2.768282   3.426147   0.000000
    35  H    2.912207   3.413957   3.928767   1.104000   0.000000
    36  H    3.863192   3.610268   4.162260   1.096379   1.794329
    37  H    2.938081   2.434226   3.640414   1.099713   1.790350
    38  C    7.851822   6.500648   7.336926   5.755322   6.712961
    39  O    8.513341   7.102601   7.760458   6.619733   7.626214
    40  N    7.034160   5.902511   6.644185   4.695751   5.591132
    41  H    8.060808   6.651477   7.718101   5.985905   6.902690
    42  C    6.930307   5.997904   6.339507   4.670125   5.536539
    43  H    7.147302   6.094268   6.292818   5.218574   6.166537
    44  H    7.786590   6.984838   7.257608   5.389135   6.132939
    45  H    5.999150   5.249048   5.485595   3.728278   4.558915
    46  C    6.655557   5.689476   6.648558   4.076228   4.811504
    47  H    7.031835   5.939045   7.124719   4.604504   5.319183
    48  H    5.588627   4.739031   5.687762   2.972617   3.723898
    49  H    7.299915   6.528510   7.390178   4.556059   5.113587
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796968   0.000000
    38  C    5.041400   5.533458   0.000000
    39  O    5.924778   6.459795   1.240344   0.000000
    40  N    3.857681   4.646149   1.363599   2.323471   0.000000
    41  H    5.363493   5.579626   1.109019   2.052453   2.055401
    42  C    3.746900   4.940580   2.480559   2.879991   1.480542
    43  H    4.422971   5.461863   2.584571   2.516941   2.102826
    44  H    4.371659   5.750584   3.051365   3.368367   2.131048
    45  H    2.800292   4.157968   3.292782   3.816656   2.106798
    46  C    3.246051   3.929949   2.462193   3.633735   1.458169
    47  H    3.950994   4.204217   2.551064   3.791000   2.103893
    48  H    2.183383   2.869918   3.206110   4.301686   2.095935
    49  H    3.610621   4.567926   3.159083   4.254133   2.118164
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.428918   0.000000
    43  H    3.653263   1.098671   0.000000
    44  H    3.973383   1.100386   1.811775   0.000000
    45  H    4.107734   1.097741   1.784846   1.796889   0.000000
    46  C    2.551940   2.507178   3.385824   2.957947   2.626506
    47  H    2.149523   3.436263   4.174345   3.908820   3.650057
    48  H    3.351295   2.737255   3.582532   3.356960   2.402879
    49  H    3.290516   2.818389   3.845651   2.858785   2.946998
                   46         47         48         49
    46  C    0.000000
    47  H    1.098326   0.000000
    48  H    1.105573   1.804639   0.000000
    49  H    1.104854   1.792398   1.792958   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2110941      0.1945533      0.1872325
 Leave Link  202 at Mon Nov 14 02:36:05 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1850.4122867885 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1860731034 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1850.2262136851 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4026
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.11D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     225
 GePol: Fraction of low-weight points (<1% of avg)   =       5.59%
 GePol: Cavity surface area                          =    465.573 Ang**2
 GePol: Cavity volume                                =    458.511 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040363383 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1850.2221773468 Hartrees.
 Leave Link  301 at Mon Nov 14 02:36:05 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11996 LenP2D=   37571.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:36:07 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:36:07 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.031060    0.028036   -0.014275
         Rot=    0.999998   -0.001286   -0.001812    0.000081 Ang=  -0.25 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50419783316    
 Leave Link  401 at Mon Nov 14 02:36:13 2016, MaxMem=  2952790016 cpu:        79.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48626028.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   1905.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.94D-15 for   2411    165.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.32D-14 for   2487.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.73D-08 for   1382   1352.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.22D-14 for    332.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.64D-14 for   1938    658.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2907.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.41D-16 for   2417    445.
 E= -1013.42121634840    
 DIIS: error= 4.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.42121634840     IErMin= 1 ErrMin= 4.13D-03
 ErrMax= 4.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-02 BMatP= 1.52D-02
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.328 Goal=   None    Shift=    0.000
 GapD=    0.328 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.26D-04 MaxDP=2.51D-02              OVMax= 3.99D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.26D-04    CP:  1.00D+00
 E= -1013.44861227306     Delta-E=       -0.027395924663 Rises=F Damp=F
 DIIS: error= 7.38D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.44861227306     IErMin= 2 ErrMin= 7.38D-04
 ErrMax= 7.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.71D-04 BMatP= 1.52D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.38D-03
 Coeff-Com:  0.368D-01 0.963D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.365D-01 0.963D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=1.96D-04 MaxDP=1.09D-02 DE=-2.74D-02 OVMax= 1.66D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.91D-04    CP:  9.99D-01  9.43D-01
 E= -1013.44673788501     Delta-E=        0.001874388049 Rises=F Damp=F
 DIIS: error= 2.12D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.44861227306     IErMin= 2 ErrMin= 7.38D-04
 ErrMax= 2.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-03 BMatP= 4.71D-04
 IDIUse=3 WtCom= 1.79D-01 WtEn= 8.21D-01
 Coeff-Com:  0.382D-02 0.715D+00 0.282D+00
 Coeff-En:   0.000D+00 0.794D+00 0.206D+00
 Coeff:      0.682D-03 0.779D+00 0.220D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=6.35D-03 DE= 1.87D-03 OVMax= 1.07D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.95D-05    CP:  1.00D+00  9.63D-01  4.91D-01
 E= -1013.44895408116     Delta-E=       -0.002216196143 Rises=F Damp=F
 DIIS: error= 3.19D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.44895408116     IErMin= 4 ErrMin= 3.19D-04
 ErrMax= 3.19D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-05 BMatP= 4.71D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.19D-03
 Coeff-Com:  0.281D-04 0.282D+00-0.129D-01 0.731D+00
 Coeff-En:   0.000D+00 0.172D+00 0.000D+00 0.828D+00
 Coeff:      0.280D-04 0.282D+00-0.129D-01 0.731D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.16D-05 MaxDP=2.13D-03 DE=-2.22D-03 OVMax= 1.67D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.12D-05    CP:  1.00D+00  9.73D-01  3.49D-01  7.73D-01
 E= -1013.44902557751     Delta-E=       -0.000071496356 Rises=F Damp=F
 DIIS: error= 8.09D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.44902557751     IErMin= 5 ErrMin= 8.09D-05
 ErrMax= 8.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-06 BMatP= 8.65D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.490D-04 0.148D+00-0.190D-01 0.453D+00 0.418D+00
 Coeff:      0.490D-04 0.148D+00-0.190D-01 0.453D+00 0.418D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.32D-06 MaxDP=2.79D-04 DE=-7.15D-05 OVMax= 3.37D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.81D-06    CP:  1.00D+00  9.74D-01  3.45D-01  7.87D-01  6.84D-01
 E= -1013.44902932025     Delta-E=       -0.000003742738 Rises=F Damp=F
 DIIS: error= 1.17D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.44902932025     IErMin= 6 ErrMin= 1.17D-05
 ErrMax= 1.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-07 BMatP= 4.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.653D-05 0.676D-01-0.104D-01 0.216D+00 0.236D+00 0.491D+00
 Coeff:     -0.653D-05 0.676D-01-0.104D-01 0.216D+00 0.236D+00 0.491D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.46D-06 MaxDP=8.97D-05 DE=-3.74D-06 OVMax= 1.16D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.31D-06    CP:  1.00D+00  9.74D-01  3.45D-01  7.87D-01  6.98D-01
                    CP:  8.38D-01
 E= -1013.44902941299     Delta-E=       -0.000000092741 Rises=F Damp=F
 DIIS: error= 9.64D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.44902941299     IErMin= 7 ErrMin= 9.64D-06
 ErrMax= 9.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-08 BMatP= 1.68D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.201D-04 0.228D-01-0.423D-02 0.768D-01 0.970D-01 0.367D+00
 Coeff-Com:  0.441D+00
 Coeff:     -0.201D-04 0.228D-01-0.423D-02 0.768D-01 0.970D-01 0.367D+00
 Coeff:      0.441D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.90D-07 MaxDP=5.53D-05 DE=-9.27D-08 OVMax= 7.30D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.18D-07    CP:  1.00D+00  9.74D-01  3.45D-01  7.90D-01  6.89D-01
                    CP:  8.54D-01  5.65D-01
 E= -1013.44902945361     Delta-E=       -0.000000040617 Rises=F Damp=F
 DIIS: error= 6.03D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.44902945361     IErMin= 8 ErrMin= 6.03D-06
 ErrMax= 6.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.78D-09 BMatP= 5.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-04 0.826D-02-0.181D-02 0.294D-01 0.417D-01 0.209D+00
 Coeff-Com:  0.329D+00 0.384D+00
 Coeff:     -0.124D-04 0.826D-02-0.181D-02 0.294D-01 0.417D-01 0.209D+00
 Coeff:      0.329D+00 0.384D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.63D-07 MaxDP=1.60D-05 DE=-4.06D-08 OVMax= 2.34D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.59D-07    CP:  1.00D+00  9.74D-01  3.45D-01  7.90D-01  6.89D-01
                    CP:  8.45D-01  6.22D-01  6.31D-01
 E= -1013.44902946195     Delta-E=       -0.000000008336 Rises=F Damp=F
 DIIS: error= 8.75D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.44902946195     IErMin= 9 ErrMin= 8.75D-07
 ErrMax= 8.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-10 BMatP= 9.78D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.286D-05 0.714D-03-0.220D-03 0.307D-02 0.592D-02 0.457D-01
 Coeff-Com:  0.918D-01 0.182D+00 0.671D+00
 Coeff:     -0.286D-05 0.714D-03-0.220D-03 0.307D-02 0.592D-02 0.457D-01
 Coeff:      0.918D-01 0.182D+00 0.671D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.47D-08 MaxDP=3.15D-06 DE=-8.34D-09 OVMax= 2.84D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.83D-08    CP:  1.00D+00  9.74D-01  3.45D-01  7.90D-01  6.90D-01
                    CP:  8.51D-01  6.19D-01  6.23D-01  7.36D-01
 E= -1013.44902946222     Delta-E=       -0.000000000276 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.44902946222     IErMin=10 ErrMin= 1.04D-07
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.31D-12 BMatP= 2.36D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.892D-06 0.864D-04-0.413D-04 0.539D-03 0.152D-02 0.149D-01
 Coeff-Com:  0.331D-01 0.739D-01 0.313D+00 0.563D+00
 Coeff:     -0.892D-06 0.864D-04-0.413D-04 0.539D-03 0.152D-02 0.149D-01
 Coeff:      0.331D-01 0.739D-01 0.313D+00 0.563D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.41D-08 MaxDP=6.38D-07 DE=-2.76D-10 OVMax= 7.66D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.09D-08    CP:  1.00D+00  9.74D-01  3.45D-01  7.90D-01  6.91D-01
                    CP:  8.51D-01  6.20D-01  6.29D-01  7.56D-01  8.08D-01
 E= -1013.44902946211     Delta-E=        0.000000000110 Rises=F Damp=F
 DIIS: error= 2.81D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -1013.44902946222     IErMin=11 ErrMin= 2.81D-08
 ErrMax= 2.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.98D-13 BMatP= 9.31D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.906D-07-0.410D-04 0.698D-05-0.999D-04 0.394D-04 0.160D-02
 Coeff-Com:  0.479D-02 0.130D-01 0.649D-01 0.249D+00 0.667D+00
 Coeff:     -0.906D-07-0.410D-04 0.698D-05-0.999D-04 0.394D-04 0.160D-02
 Coeff:      0.479D-02 0.130D-01 0.649D-01 0.249D+00 0.667D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.00D-09 MaxDP=1.45D-07 DE= 1.10D-10 OVMax= 2.56D-07

 Error on total polarization charges =  0.04246
 SCF Done:  E(RB97D) =  -1013.44902946     A.U. after   11 cycles
            NFock= 11  Conv=0.40D-08     -V/T= 2.0213
 KE= 9.923277959434D+02 PE=-6.031698741539D+03 EE= 2.175699738787D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:38:26 2016, MaxMem=  2952790016 cpu:      1527.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11996 LenP2D=   37571.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 02:38:34 2016, MaxMem=  2952790016 cpu:        96.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:38:34 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:39:11 2016, MaxMem=  2952790016 cpu:       443.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.11320893D+00-2.64009752D+00 3.16287668D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.001547803   -0.002512944    0.003367704
      2        6           0.004107135    0.000294338    0.004349091
      3        8          -0.001278287   -0.000335251   -0.000935429
      4        7           0.002402245    0.002132322   -0.000216511
      5        1          -0.000570046    0.001191808   -0.002199522
      6        6           0.001826822   -0.007032321   -0.002491729
      7        1          -0.000422185    0.000331457    0.002143444
      8        1          -0.001980536    0.001290633   -0.004171728
      9        1          -0.000542152    0.004461661    0.001953935
     10        6          -0.000945671   -0.000614170   -0.002318972
     11        1          -0.000973885    0.000370462    0.000143562
     12        1          -0.000784025    0.000730271    0.000146307
     13        1           0.000125876   -0.000288741    0.000120691
     14        6          -0.000191173   -0.000276892   -0.000518196
     15        8           0.000210334   -0.000027621    0.000641362
     16        7          -0.000060803    0.001083075   -0.000173989
     17        1          -0.000057399   -0.000660264    0.000442380
     18        6           0.001240402    0.000352884   -0.000181116
     19        1          -0.000397064   -0.000241069    0.000668863
     20        1          -0.000069114   -0.000090446   -0.000152663
     21        1          -0.000654527   -0.000529071   -0.000235026
     22        6          -0.000463161    0.000338803   -0.000461236
     23        1          -0.000074722    0.000111746   -0.000118920
     24        1           0.000154248   -0.000500888    0.000401250
     25        1           0.000061188   -0.000015507   -0.000031641
     26        6           0.000678571   -0.000591696    0.000171959
     27        8          -0.000665792    0.000760651    0.000498776
     28        7           0.001526321    0.002432680   -0.000379811
     29        1           0.000231967    0.000050807    0.000085966
     30        6          -0.000946593   -0.001037315   -0.001985222
     31        1           0.000058306    0.000656570    0.000873729
     32        1          -0.000177028   -0.000237692    0.000971298
     33        1           0.000520443   -0.000337452    0.000313567
     34        6           0.000678806   -0.002596259   -0.000089332
     35        1           0.000090961    0.000213956   -0.000428902
     36        1           0.000342038    0.000165362    0.000045658
     37        1          -0.000247824    0.000259974   -0.000230737
     38        6           0.001247205   -0.002536502    0.002649980
     39        8           0.001626806    0.001892784   -0.001792399
     40        7           0.000175184    0.007810305   -0.003837956
     41        1          -0.000464073    0.000133160    0.000547034
     42        6          -0.006607517   -0.007515922   -0.000729505
     43        1          -0.000464945    0.002330790    0.000890866
     44        1           0.000379743    0.001285791   -0.000516402
     45        1           0.001098176   -0.000413546    0.001615229
     46        6           0.004401804   -0.000753905    0.001913133
     47        1           0.000396930   -0.000825077   -0.000781391
     48        1          -0.003176948   -0.000700533    0.001221842
     49        1           0.000181761   -0.000011208   -0.001199293
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007810305 RMS     0.001810335
 Leave Link  716 at Mon Nov 14 02:39:12 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.004461584 RMS     0.000415158
 Search for a local minimum.
 Step number  54 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .41516D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48   49   50   51
                                                     52   54   53
 DE=  2.27D-03 DEPred=-3.68D-05 R=-6.16D+01
 Trust test=-6.16D+01 RLast= 1.31D+00 DXMaxT set to 3.34D-01
 ITU= -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0
 Use linear search instead of GDIIS.
 Energy rises -- skip Quadratic/GDIIS search.
 Quartic linear search produced a step of -0.98458.
 Iteration  1 RMS(Cart)=  0.04340844 RMS(Int)=  0.00428473
 Iteration  2 RMS(Cart)=  0.00333315 RMS(Int)=  0.00008398
 Iteration  3 RMS(Cart)=  0.00005180 RMS(Int)=  0.00001369
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00001369
 ITry= 1 IFail=0 DXMaxC= 4.73D-01 DCOld= 1.00D+10 DXMaxT= 3.34D-01 DXLimC= 3.00D+00 Rises=T
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.51689  -0.00042   0.07235   0.00000   0.07234   6.58922
    R2        6.10935   0.00082   0.15299   0.00000   0.15301   6.26236
    R3        7.08764   0.00019   0.17667   0.00000   0.17677   7.26441
    R4        6.10338   0.00058   0.26064   0.00000   0.26056   6.36394
    R5        6.47380   0.00078   0.05105   0.00000   0.05103   6.52483
    R6        5.98438  -0.00032  -0.00822   0.00000  -0.00821   5.97616
    R7        6.67892   0.00071   0.01892   0.00000   0.01892   6.69784
    R8        6.24484  -0.00004  -0.01497   0.00000  -0.01496   6.22988
    R9        6.62065  -0.00013   0.03589   0.00000   0.03591   6.65657
   R10        6.10855   0.00010  -0.03437   0.00000  -0.03438   6.07417
   R11        6.97554  -0.00012  -0.01394   0.00000  -0.01394   6.96160
   R12        6.05219  -0.00006  -0.02009   0.00000  -0.02009   6.03210
   R13        6.88428   0.00093  -0.01485   0.00000  -0.01485   6.86942
   R14        6.19043   0.00057   0.00540   0.00000   0.00540   6.19583
   R15        6.84899   0.00015   0.02720   0.00000   0.02720   6.87620
   R16        5.90961  -0.00013   0.05425   0.00000   0.05425   5.96387
   R17        6.67839   0.00018   0.00804   0.00000   0.00804   6.68643
   R18        6.75897  -0.00043  -0.07854   0.00000  -0.07853   6.68043
   R19        6.16568   0.00012   0.04219   0.00000   0.04221   6.20789
   R20        6.57684  -0.00030   0.03371   0.00000   0.03372   6.61056
   R21        6.03326   0.00000   0.02855   0.00000   0.02856   6.06182
   R22        6.94206  -0.00077  -0.00677   0.00000  -0.00676   6.93530
   R23        6.01536   0.00081  -0.04802   0.00000  -0.04803   5.96733
   R24        2.34643   0.00127   0.00347   0.00000   0.00347   2.34989
   R25        2.57502  -0.00080  -0.00349   0.00000  -0.00349   2.57153
   R26        2.09380   0.00071   0.00087   0.00000   0.00087   2.09467
   R27        2.78350  -0.00122  -0.01799   0.00000  -0.01799   2.76552
   R28        2.77335  -0.00061  -0.00497   0.00000  -0.00496   2.76839
   R29        2.07432   0.00016   0.00219   0.00000   0.00219   2.07651
   R30        2.09599  -0.00252  -0.01323   0.00000  -0.01335   2.08264
   R31        2.08316  -0.00055  -0.00015   0.00000  -0.00015   2.08301
   R32        2.08020   0.00035   0.00095   0.00000   0.00095   2.08114
   R33        2.07500  -0.00022  -0.00033   0.00000  -0.00033   2.07467
   R34        2.08402  -0.00007  -0.00051   0.00000  -0.00051   2.08351
   R35        2.34832   0.00063   0.00052   0.00000   0.00052   2.34884
   R36        2.57071   0.00041   0.00086   0.00000   0.00085   2.57156
   R37        2.09364  -0.00001   0.00044   0.00000   0.00044   2.09408
   R38        2.77249  -0.00039  -0.00382   0.00000  -0.00383   2.76865
   R39        2.76542   0.00007  -0.00044   0.00000  -0.00046   2.76496
   R40        2.08261  -0.00026  -0.00085   0.00000  -0.00087   2.08174
   R41        2.08285   0.00011   0.00114   0.00000   0.00114   2.08399
   R42        2.07599  -0.00046  -0.00166   0.00000  -0.00166   2.07433
   R43        2.08312   0.00001   0.00010   0.00000   0.00010   2.08321
   R44        2.08606  -0.00031  -0.00257   0.00000  -0.00257   2.08349
   R45        2.07660   0.00008   0.00006   0.00000   0.00006   2.07666
   R46        2.34644   0.00099   0.00208   0.00000   0.00208   2.34852
   R47        2.57433  -0.00050  -0.00255   0.00000  -0.00257   2.57176
   R48        2.09318   0.00003   0.00031   0.00000   0.00031   2.09349
   R49        2.76173   0.00050   0.00311   0.00000   0.00310   2.76483
   R50        2.76777   0.00003   0.00091   0.00000   0.00090   2.76867
   R51        2.08392   0.00003   0.00042   0.00000   0.00042   2.08435
   R52        2.08132   0.00002   0.00110   0.00000   0.00111   2.08243
   R53        2.07685  -0.00020  -0.00081   0.00000  -0.00081   2.07605
   R54        2.08626  -0.00029  -0.00104   0.00000  -0.00104   2.08522
   R55        2.07186   0.00001   0.00191   0.00000   0.00191   2.07377
   R56        2.07816  -0.00004   0.00001   0.00000   0.00001   2.07817
   R57        2.34391   0.00200   0.00426   0.00000   0.00426   2.34818
   R58        2.57683  -0.00170  -0.00456   0.00000  -0.00459   2.57224
   R59        2.09574   0.00033   0.00008   0.00000   0.00008   2.09582
   R60        2.79782  -0.00446  -0.02784   0.00000  -0.02786   2.76996
   R61        2.75554   0.00206   0.00942   0.00000   0.00941   2.76495
   R62        2.07619  -0.00027  -0.00134   0.00000  -0.00134   2.07485
   R63        2.07943   0.00070   0.00441   0.00000   0.00441   2.08384
   R64        2.07443   0.00178   0.00540   0.00000   0.00538   2.07981
   R65        2.07554   0.00019   0.00062   0.00000   0.00062   2.07616
   R66        2.08923  -0.00206  -0.00502   0.00000  -0.00505   2.08419
   R67        2.08787  -0.00099  -0.00473   0.00000  -0.00473   2.08314
    A1        0.70027  -0.00041  -0.02042   0.00000  -0.02043   0.67984
    A2        0.97583  -0.00084  -0.01946   0.00000  -0.01944   0.95638
    A3        0.73849  -0.00037  -0.01072   0.00000  -0.01072   0.72778
    A4        1.03492  -0.00044  -0.01515   0.00000  -0.01514   1.01978
    A5        2.32476   0.00037   0.01674   0.00000   0.01674   2.34150
    A6        2.00086   0.00037   0.02126   0.00000   0.02126   2.02212
    A7        1.95317   0.00040   0.02428   0.00000   0.02428   1.97745
    A8        1.65144   0.00046   0.03243   0.00000   0.03243   1.68387
    A9        1.63453   0.00030   0.01788   0.00000   0.01788   1.65241
   A10        1.35229   0.00035   0.01868   0.00000   0.01868   1.37096
   A11        1.74634  -0.00039  -0.01232   0.00000  -0.01231   1.73403
   A12        2.05028  -0.00052  -0.01143   0.00000  -0.01143   2.03885
   A13        1.94799  -0.00021  -0.00495   0.00000  -0.00495   1.94304
   A14        2.02066   0.00003   0.00774   0.00000   0.00774   2.02841
   A15        2.44414  -0.00043  -0.01032   0.00000  -0.01031   2.43383
   A16        1.61457   0.00010  -0.05564   0.00000  -0.05564   1.55893
   A17        1.81754  -0.00042  -0.05054   0.00000  -0.05054   1.76700
   A18        1.59155  -0.00016  -0.03378   0.00000  -0.03377   1.55778
   A19        1.72271  -0.00016  -0.02159   0.00000  -0.02158   1.70112
   A20        2.22409  -0.00004  -0.04778   0.00000  -0.04778   2.17631
   A21        2.43116  -0.00010  -0.03466   0.00000  -0.03465   2.39651
   A22        0.67358  -0.00062  -0.03146   0.00000  -0.03147   0.64212
   A23        0.66982  -0.00033  -0.01043   0.00000  -0.01043   0.65939
   A24        2.37409   0.00016   0.01795   0.00000   0.01796   2.39205
   A25        2.19502   0.00020   0.02379   0.00000   0.02380   2.21883
   A26        2.29526   0.00023   0.02348   0.00000   0.02350   2.31875
   A27        2.02199   0.00033   0.03226   0.00000   0.03227   2.05426
   A28        1.78881   0.00017   0.02280   0.00000   0.02281   1.81162
   A29        1.54755   0.00022   0.02315   0.00000   0.02316   1.57071
   A30        1.34638  -0.00026  -0.00557   0.00000  -0.00557   1.34081
   A31        1.64555  -0.00041  -0.00574   0.00000  -0.00574   1.63981
   A32        1.59050  -0.00014  -0.00204   0.00000  -0.00204   1.58846
   A33        1.73084   0.00002   0.00736   0.00000   0.00736   1.73820
   A34        2.04119  -0.00032  -0.00409   0.00000  -0.00408   2.03711
   A35        1.87115   0.00000  -0.05550   0.00000  -0.05551   1.81564
   A36        1.94097  -0.00045  -0.04665   0.00000  -0.04665   1.89432
   A37        1.58494   0.00009  -0.02941   0.00000  -0.02941   1.55553
   A38        1.59277  -0.00002  -0.01382   0.00000  -0.01382   1.57895
   A39        2.29856  -0.00017  -0.03646   0.00000  -0.03646   2.26210
   A40        2.36471  -0.00001  -0.00853   0.00000  -0.00852   2.35619
   A41        0.70067   0.00003  -0.01254   0.00000  -0.01254   0.68813
   A42        0.75583  -0.00005  -0.01044   0.00000  -0.01044   0.74539
   A43        2.64177   0.00011   0.01440   0.00000   0.01441   2.65618
   A44        2.58386   0.00004   0.01274   0.00000   0.01274   2.59660
   A45        2.65304  -0.00002   0.00293   0.00000   0.00293   2.65597
   A46        2.34394   0.00004   0.00750   0.00000   0.00750   2.35144
   A47        2.17753   0.00002   0.01175   0.00000   0.01176   2.18929
   A48        1.94573   0.00003   0.00946   0.00000   0.00946   1.95519
   A49        1.09328   0.00002   0.00411   0.00000   0.00412   1.09741
   A50        1.45436  -0.00015   0.00297   0.00000   0.00299   1.45735
   A51        1.55540   0.00009   0.00093   0.00000   0.00093   1.55633
   A52        1.78483   0.00017   0.00521   0.00000   0.00522   1.79005
   A53        1.77607   0.00004   0.00889   0.00000   0.00890   1.78497
   A54        1.71487  -0.00019  -0.04365   0.00000  -0.04366   1.67121
   A55        1.65413  -0.00044  -0.03178   0.00000  -0.03178   1.62235
   A56        1.24644   0.00024  -0.01678   0.00000  -0.01678   1.22966
   A57        1.20478   0.00014   0.00017   0.00000   0.00018   1.20496
   A58        1.94995  -0.00015  -0.01724   0.00000  -0.01723   1.93272
   A59        1.97107   0.00016   0.00888   0.00000   0.00890   1.97997
   A60        0.89183  -0.00018  -0.05267   0.00000  -0.05267   0.83916
   A61        0.83519  -0.00009  -0.06018   0.00000  -0.06020   0.77499
   A62        2.62670   0.00027  -0.02835   0.00000  -0.02837   2.59833
   A63        2.78979  -0.00012  -0.02717   0.00000  -0.02717   2.76262
   A64        2.58992  -0.00037   0.02051   0.00000   0.02053   2.61045
   A65        2.40959  -0.00024  -0.02191   0.00000  -0.02190   2.38769
   A66        2.20897  -0.00033  -0.01551   0.00000  -0.01550   2.19347
   A67        0.87948   0.00037  -0.02451   0.00000  -0.02456   0.85492
   A68        1.25881   0.00021  -0.02757   0.00000  -0.02761   1.23120
   A69        1.45226   0.00033  -0.04311   0.00000  -0.04315   1.40911
   A70        1.72207   0.00033  -0.04309   0.00000  -0.04312   1.67894
   A71        1.52782   0.00049  -0.00581   0.00000  -0.00584   1.52198
   A72        1.66858  -0.00024   0.01865   0.00000   0.01866   1.68724
   A73        1.50909  -0.00025   0.02516   0.00000   0.02515   1.53424
   A74        1.07494   0.00048   0.03380   0.00000   0.03380   1.10874
   A75        0.96754   0.00044   0.03955   0.00000   0.03954   1.00708
   A76        1.73719   0.00011   0.03215   0.00000   0.03214   1.76933
   A77        1.71270   0.00053   0.04508   0.00000   0.04505   1.75774
   A78        1.97085   0.00012   0.02324   0.00000   0.02324   1.99410
   A79        1.90694  -0.00002   0.02980   0.00000   0.02980   1.93674
   A80        2.18498  -0.00014   0.02976   0.00000   0.02977   2.21474
   A81        2.02948  -0.00007   0.04269   0.00000   0.04271   2.07219
   A82        1.51833  -0.00005   0.03024   0.00000   0.03025   1.54858
   A83        1.35187  -0.00009   0.02997   0.00000   0.02998   1.38185
   A84        1.19793   0.00018   0.00212   0.00000   0.00212   1.20005
   A85        1.38251   0.00003   0.00238   0.00000   0.00238   1.38489
   A86        1.21010   0.00018   0.00621   0.00000   0.00620   1.21630
   A87        1.30466   0.00028   0.01531   0.00000   0.01531   1.31998
   A88        1.80943   0.00002   0.00203   0.00000   0.00203   1.81146
   A89        2.31032  -0.00018  -0.06269   0.00000  -0.06270   2.24762
   A90        2.35053  -0.00044  -0.04673   0.00000  -0.04673   2.30380
   A91        1.94569   0.00029  -0.02891   0.00000  -0.02891   1.91678
   A92        1.85505   0.00023  -0.00963   0.00000  -0.00963   1.84541
   A93        2.62794  -0.00009  -0.02022   0.00000  -0.02019   2.60775
   A94        2.52792   0.00035   0.02284   0.00000   0.02287   2.55079
   A95        1.88657   0.00015   0.02536   0.00000   0.02536   1.91193
   A96        1.95866   0.00003   0.03167   0.00000   0.03167   1.99034
   A97        2.33494  -0.00008   0.03096   0.00000   0.03097   2.36591
   A98        2.27495  -0.00004   0.04485   0.00000   0.04486   2.31981
   A99        1.62844  -0.00002   0.03286   0.00000   0.03287   1.66131
   A100       1.53664  -0.00009   0.03108   0.00000   0.03109   1.56773
   A101       0.88771   0.00017   0.00547   0.00000   0.00547   0.89318
   A102       1.05689   0.00002   0.00573   0.00000   0.00573   1.06262
   A103       0.92232   0.00020   0.00878   0.00000   0.00878   0.93110
   A104       1.07409   0.00028   0.01585   0.00000   0.01585   1.08994
   A105       1.48362   0.00002   0.00547   0.00000   0.00547   1.48908
   A106       2.47070  -0.00024  -0.05461   0.00000  -0.05461   2.41609
   A107       2.33646  -0.00033  -0.02963   0.00000  -0.02962   2.30685
   A108       1.89838   0.00038  -0.02140   0.00000  -0.02140   1.87698
   A109       1.71487   0.00021  -0.00357   0.00000  -0.00357   1.71130
   A110       2.44318  -0.00008   0.00725   0.00000   0.00728   2.45045
   A111       2.25183   0.00035   0.03719   0.00000   0.03719   2.28902
   A112       0.71666  -0.00004  -0.00285   0.00000  -0.00285   0.71381
   A113       1.00537  -0.00001  -0.00009   0.00000  -0.00010   1.00528
   A114       0.69500   0.00008   0.00034   0.00000   0.00034   0.69534
   A115       0.98257   0.00004   0.00027   0.00000   0.00027   0.98284
   A116       1.79142   0.00001   0.01461   0.00000   0.01461   1.80603
   A117       1.41125   0.00014   0.01321   0.00000   0.01321   1.42446
   A118       1.17520  -0.00005   0.01676   0.00000   0.01677   1.19196
   A119       0.90579  -0.00007   0.01368   0.00000   0.01368   0.91947
   A120       1.24874  -0.00019   0.00062   0.00000   0.00062   1.24936
   A121       1.92563   0.00009   0.02690   0.00000   0.02691   1.95255
   A122       1.95953   0.00033   0.02532   0.00000   0.02533   1.98485
   A123       2.31895  -0.00024   0.01310   0.00000   0.01309   2.33204
   A124       2.23560  -0.00020   0.00438   0.00000   0.00437   2.23997
   A125       1.60913  -0.00001   0.01976   0.00000   0.01976   1.62889
   A126       1.49239  -0.00020   0.00572   0.00000   0.00571   1.49810
   A127       0.65172   0.00000   0.00421   0.00000   0.00421   0.65593
   A128       0.65939   0.00000   0.00124   0.00000   0.00124   0.66064
   A129       2.15056   0.00001   0.01908   0.00000   0.01908   2.16964
   A130       1.78102   0.00012   0.01557   0.00000   0.01557   1.79659
   A131       1.48254  -0.00008   0.02147   0.00000   0.02147   1.50402
   A132       1.19168  -0.00008   0.02063   0.00000   0.02064   1.21232
   A133       1.64325  -0.00016  -0.00065   0.00000  -0.00065   1.64260
   A134       1.79611   0.00020   0.00234   0.00000   0.00236   1.79846
   A135       1.98386   0.00034   0.00154   0.00000   0.00155   1.98541
   A136       2.41842  -0.00036  -0.00660   0.00000  -0.00660   2.41182
   A137       2.49399  -0.00018  -0.01241   0.00000  -0.01240   2.48159
   A138       1.74184   0.00011  -0.00391   0.00000  -0.00391   1.73793
   A139       1.72345  -0.00018  -0.01748   0.00000  -0.01747   1.70598
   A140       0.70653  -0.00006  -0.00193   0.00000  -0.00193   0.70460
   A141       0.83317  -0.00004  -0.00023   0.00000  -0.00023   0.83294
   A142       2.49257  -0.00001   0.00544   0.00000   0.00544   2.49802
   A143       2.11143   0.00014   0.00635   0.00000   0.00635   2.11777
   A144       1.88495  -0.00011   0.01596   0.00000   0.01597   1.90092
   A145       1.60207  -0.00013   0.01517   0.00000   0.01518   1.61725
   A146       1.84415  -0.00006  -0.00817   0.00000  -0.00818   1.83597
   A147       1.37160   0.00027   0.00096   0.00000   0.00096   1.37256
   A148       1.60625   0.00036  -0.00767   0.00000  -0.00768   1.59858
   A149       2.04177  -0.00035  -0.01292   0.00000  -0.01292   2.02884
   A150       2.22646  -0.00011  -0.02509   0.00000  -0.02509   2.20136
   A151       1.46170   0.00021  -0.02161   0.00000  -0.02161   1.44009
   A152       1.54776  -0.00017  -0.04049   0.00000  -0.04049   1.50727
   A153       0.75466   0.00002   0.01092   0.00000   0.01093   0.76559
   A154       0.75218   0.00008   0.01487   0.00000   0.01487   0.76705
   A155       2.79668   0.00000   0.01258   0.00000   0.01262   2.80930
   A156       2.41612   0.00013   0.01043   0.00000   0.01045   2.42657
   A157       2.13087  -0.00007   0.02790   0.00000   0.02792   2.15879
   A158       1.83817  -0.00006   0.02773   0.00000   0.02775   1.86592
   A159       2.16106  -0.00009  -0.01446   0.00000  -0.01446   2.14661
   A160       1.26514   0.00020  -0.03239   0.00000  -0.03241   1.23273
   A161       1.58498   0.00015  -0.03980   0.00000  -0.03981   1.54517
   A162       1.98206  -0.00047  -0.03667   0.00000  -0.03667   1.94539
   A163       2.24941  -0.00019  -0.04791   0.00000  -0.04791   2.20150
   A164       1.56503   0.00011  -0.05404   0.00000  -0.05404   1.51099
   A165       1.72573  -0.00028  -0.06905   0.00000  -0.06905   1.65669
   A166       2.12863   0.00004   0.03119   0.00000   0.03119   2.15982
   A167       1.83693   0.00009   0.02436   0.00000   0.02436   1.86130
   A168       1.44849  -0.00006   0.02798   0.00000   0.02799   1.47648
   A169       1.16864   0.00000   0.02869   0.00000   0.02869   1.19733
   A170       1.86232  -0.00020   0.00646   0.00000   0.00646   1.86878
   A171       2.01952   0.00022  -0.02220   0.00000  -0.02219   1.99733
   A172       2.30901   0.00027  -0.01588   0.00000  -0.01586   2.29315
   A173       2.73334  -0.00044  -0.02311   0.00000  -0.02310   2.71024
   A174       2.13637   0.00014  -0.01105   0.00000  -0.01103   2.12534
   A175       2.12946  -0.00016  -0.01582   0.00000  -0.01579   2.11367
   A176       2.23358  -0.00001   0.03374   0.00000   0.03374   2.26732
   A177       2.02213  -0.00001   0.02615   0.00000   0.02615   2.04828
   A178       1.61040  -0.00011   0.02836   0.00000   0.02836   1.63876
   A179       1.35821  -0.00003   0.02959   0.00000   0.02959   1.38780
   A180       2.12648  -0.00028   0.00794   0.00000   0.00793   2.13441
   A181       1.96209   0.00026  -0.03921   0.00000  -0.03920   1.92289
   A182       2.32392   0.00017  -0.03479   0.00000  -0.03477   2.28914
   A183       2.64315  -0.00034  -0.03410   0.00000  -0.03409   2.60905
   A184       2.29116   0.00017  -0.02863   0.00000  -0.02861   2.26255
   A185       2.36152  -0.00020  -0.03041   0.00000  -0.03038   2.33115
   A186       0.69034   0.00010   0.00140   0.00000   0.00140   0.69174
   A187       0.98158   0.00007   0.00084   0.00000   0.00084   0.98243
   A188       0.69825  -0.00003   0.00220   0.00000   0.00220   0.70045
   A189       2.08747  -0.00025   0.00482   0.00000   0.00482   2.09229
   A190       1.71535  -0.00010   0.00613   0.00000   0.00613   1.72148
   A191       1.38723   0.00039  -0.00201   0.00000  -0.00202   1.38521
   A192       1.07971   0.00008   0.00325   0.00000   0.00324   1.08295
   A193       1.60252  -0.00019   0.02089   0.00000   0.02089   1.62341
   A194       1.36918   0.00019   0.03604   0.00000   0.03603   1.40521
   A195       0.67061   0.00006  -0.00405   0.00000  -0.00405   0.66656
   A196       2.21907  -0.00014   0.03043   0.00000   0.03043   2.24950
   A197       1.82954   0.00012   0.02505   0.00000   0.02505   1.85459
   A198       1.61717   0.00034   0.00818   0.00000   0.00818   1.62535
   A199       1.29839   0.00002   0.00872   0.00000   0.00871   1.30710
   A200       1.57969  -0.00005   0.03667   0.00000   0.03666   1.61635
   A201       1.29846   0.00027   0.04532   0.00000   0.04531   1.34377
   A202       0.71586  -0.00022  -0.00582   0.00000  -0.00582   0.71004
   A203       2.60095  -0.00011   0.03918   0.00000   0.03920   2.64015
   A204       2.22447   0.00018   0.02854   0.00000   0.02855   2.25302
   A205       2.02963   0.00045   0.00571   0.00000   0.00570   2.03533
   A206       1.71047   0.00013   0.00714   0.00000   0.00713   1.71760
   A207       1.91615  -0.00009   0.04062   0.00000   0.04062   1.95677
   A208       1.62537   0.00015   0.04442   0.00000   0.04442   1.66979
   A209       0.84893  -0.00034  -0.01428   0.00000  -0.01428   0.83465
   A210       2.64668  -0.00016   0.04653   0.00000   0.04653   2.69322
   A211       2.35515   0.00016   0.03135   0.00000   0.03135   2.38650
   A212       2.27439   0.00030   0.00550   0.00000   0.00549   2.27988
   A213       1.96015   0.00001   0.00384   0.00000   0.00383   1.96398
   A214       1.97780  -0.00019   0.03594   0.00000   0.03593   2.01373
   A215       1.69903  -0.00004   0.03368   0.00000   0.03367   1.73271
   A216       1.88618   0.00012   0.04858   0.00000   0.04858   1.93476
   A217       1.52373   0.00046   0.04116   0.00000   0.04116   1.56489
   A218       1.45705   0.00051   0.02357   0.00000   0.02356   1.48061
   A219       1.17104   0.00023   0.01765   0.00000   0.01765   1.18869
   A220       1.20164   0.00012   0.04550   0.00000   0.04550   1.24713
   A221       0.91129   0.00038   0.04988   0.00000   0.04987   0.96116
   A222       0.71786  -0.00066  -0.00056   0.00000  -0.00057   0.71729
   A223       1.01018  -0.00034  -0.00066   0.00000  -0.00067   1.00950
   A224       0.69249   0.00000   0.00520   0.00000   0.00520   0.69769
   A225       0.98198  -0.00022   0.00312   0.00000   0.00313   0.98510
   A226       0.66456  -0.00033  -0.00638   0.00000  -0.00639   0.65818
   A227       0.66191   0.00027   0.00378   0.00000   0.00377   0.66568
   A228       0.71418  -0.00030  -0.00525   0.00000  -0.00525   0.70893
   A229       0.84220   0.00002   0.00335   0.00000   0.00334   0.84553
   A230       0.77307  -0.00032  -0.00679   0.00000  -0.00679   0.76628
   A231       0.77283   0.00001   0.00448   0.00000   0.00448   0.77731
   A232       1.64454   0.00021  -0.06165   0.00000  -0.06168   1.58286
   A233       1.78873   0.00140   0.07972   0.00000   0.07973   1.86846
   A234       2.18663   0.00010   0.00308   0.00000   0.00308   2.18971
   A235       2.14210  -0.00050  -0.01262   0.00000  -0.01265   2.12944
   A236       1.95219   0.00054   0.01141   0.00000   0.01146   1.96365
   A237       2.13675  -0.00065  -0.01224   0.00000  -0.01224   2.12451
   A238       2.13698  -0.00069  -0.01043   0.00000  -0.01043   2.12655
   A239       2.00941   0.00134   0.02209   0.00000   0.02210   2.03151
   A240       2.02170  -0.00121  -0.18882   0.00000  -0.18882   1.83288
   A241       2.34105   0.00220   0.19999   0.00000   0.20000   2.54105
   A242       1.91517  -0.00010  -0.00132   0.00000  -0.00127   1.91390
   A243       1.93412  -0.00010  -0.01802   0.00000  -0.01793   1.91619
   A244       1.85732   0.00081   0.05830   0.00000   0.05825   1.91557
   A245       1.94330  -0.00087  -0.03270   0.00000  -0.03276   1.91054
   A246       1.92040  -0.00099  -0.01165   0.00000  -0.01165   1.90875
   A247       1.89146   0.00132   0.00732   0.00000   0.00732   1.89878
   A248       1.30270  -0.00030  -0.02145   0.00000  -0.02148   1.28122
   A249       1.90603  -0.00102  -0.00119   0.00000  -0.00119   1.90484
   A250       1.91958   0.00054  -0.00982   0.00000  -0.00983   1.90975
   A251       1.92189   0.00036   0.00553   0.00000   0.00553   1.92742
   A252       1.91036  -0.00020   0.00056   0.00000   0.00057   1.91093
   A253       1.89617   0.00028   0.00172   0.00000   0.00172   1.89789
   A254       1.90960   0.00003   0.00329   0.00000   0.00329   1.91289
   A255       1.71613   0.00021   0.00416   0.00000   0.00416   1.72029
   A256       1.75521   0.00052   0.01214   0.00000   0.01213   1.76734
   A257       2.18994   0.00018   0.00086   0.00000   0.00086   2.19079
   A258       2.13299  -0.00025  -0.00296   0.00000  -0.00296   2.13003
   A259       1.95997   0.00008   0.00219   0.00000   0.00218   1.96216
   A260       2.12184  -0.00006   0.00299   0.00000   0.00299   2.12484
   A261       2.12183   0.00021   0.00136   0.00000   0.00136   2.12319
   A262       2.03770  -0.00014  -0.00285   0.00000  -0.00284   2.03486
   A263       1.28049   0.00049   0.06900   0.00000   0.06900   1.34949
   A264       1.89072   0.00039   0.00963   0.00000   0.00965   1.90037
   A265       1.93777  -0.00018  -0.00638   0.00000  -0.00638   1.93139
   A266       1.90525   0.00020   0.00478   0.00000   0.00479   1.91003
   A267       1.90353  -0.00019  -0.00618   0.00000  -0.00618   1.89735
   A268       1.91162   0.00003   0.00143   0.00000   0.00142   1.91304
   A269       1.91468  -0.00025  -0.00316   0.00000  -0.00316   1.91152
   A270       2.67153  -0.00014  -0.00580   0.00000  -0.00580   2.66573
   A271       1.69360   0.00010   0.00413   0.00000   0.00413   1.69773
   A272       1.92392  -0.00005   0.00062   0.00000   0.00062   1.92454
   A273       1.91417   0.00009  -0.00116   0.00000  -0.00116   1.91301
   A274       1.91471   0.00000  -0.00119   0.00000  -0.00119   1.91352
   A275       1.89434  -0.00003   0.00011   0.00000   0.00011   1.89445
   A276       1.90949   0.00004   0.00148   0.00000   0.00148   1.91098
   A277       1.90700  -0.00006   0.00016   0.00000   0.00016   1.90716
   A278       1.82412  -0.00023  -0.02335   0.00000  -0.02335   1.80077
   A279       1.73881   0.00014   0.01732   0.00000   0.01731   1.75613
   A280       2.18965   0.00014  -0.00004   0.00000  -0.00003   2.18962
   A281       2.12887   0.00003   0.00180   0.00000   0.00180   2.13067
   A282       1.96461  -0.00018  -0.00178   0.00000  -0.00178   1.96283
   A283       2.11314   0.00076   0.00966   0.00000   0.00966   2.12279
   A284       2.10652   0.00047   0.00930   0.00000   0.00929   2.11581
   A285       2.06099  -0.00123  -0.01911   0.00000  -0.01910   2.04189
   A286       2.68558  -0.00032   0.00918   0.00000   0.00919   2.69477
   A287       1.67120   0.00039  -0.00650   0.00000  -0.00650   1.66470
   A288       1.93925  -0.00003  -0.01306   0.00000  -0.01307   1.92618
   A289       1.92288   0.00005  -0.00736   0.00000  -0.00736   1.91553
   A290       1.90745  -0.00025   0.00489   0.00000   0.00490   1.91234
   A291       1.88996  -0.00023   0.00105   0.00000   0.00105   1.89101
   A292       1.91033  -0.00008   0.00234   0.00000   0.00234   1.91267
   A293       1.89333   0.00055   0.01255   0.00000   0.01255   1.90589
   A294       1.32689   0.00019   0.02893   0.00000   0.02893   1.35582
   A295       1.17334  -0.00028  -0.02339   0.00000  -0.02339   1.14995
   A296       1.93882  -0.00033  -0.00668   0.00000  -0.00668   1.93214
   A297       1.90544  -0.00042   0.00150   0.00000   0.00150   1.90694
   A298       1.89915   0.00043   0.00309   0.00000   0.00310   1.90225
   A299       1.90705   0.00005   0.00265   0.00000   0.00265   1.90970
   A300       1.89659   0.00029   0.00119   0.00000   0.00119   1.89778
   A301       1.91674  -0.00001  -0.00178   0.00000  -0.00179   1.91496
   A302       1.76542  -0.00067  -0.05127   0.00000  -0.05126   1.71416
   A303       1.75485   0.00004   0.01867   0.00000   0.01866   1.77351
   A304       2.20365  -0.00112  -0.01183   0.00000  -0.01184   2.19181
   A305       2.12344   0.00040   0.00658   0.00000   0.00658   2.13002
   A306       1.95561   0.00071   0.00546   0.00000   0.00547   1.96107
   A307       2.11827   0.00076   0.00509   0.00000   0.00508   2.12335
   A308       2.12025  -0.00059   0.00223   0.00000   0.00228   2.12253
   A309       2.04397  -0.00015  -0.00735   0.00000  -0.00734   2.03663
   A310       1.29147   0.00139   0.03264   0.00000   0.03264   1.32412
   A311       3.04625  -0.00011  -0.01392   0.00000  -0.01392   3.03234
   A312       1.89061   0.00068   0.01786   0.00000   0.01787   1.90848
   A313       1.92774  -0.00025   0.00321   0.00000   0.00319   1.93093
   A314       1.89698   0.00050   0.00484   0.00000   0.00484   1.90181
   A315       1.93647  -0.00129  -0.02442   0.00000  -0.02441   1.91206
   A316       1.89726   0.00074   0.01395   0.00000   0.01395   1.91121
   A317       1.91399  -0.00032  -0.01480   0.00000  -0.01479   1.89920
   A318       1.71666  -0.00058   0.01444   0.00000   0.01444   1.73109
   A319       1.91929  -0.00020  -0.00556   0.00000  -0.00555   1.91374
   A320       1.90067   0.00116   0.01418   0.00000   0.01417   1.91484
   A321       1.93232  -0.00062  -0.00816   0.00000  -0.00817   1.92415
   A322       1.91876  -0.00119  -0.01306   0.00000  -0.01306   1.90571
   A323       1.90046   0.00068   0.01023   0.00000   0.01023   1.91069
   A324       1.89219   0.00015   0.00232   0.00000   0.00232   1.89451
   A325       2.92900  -0.00044   0.00482   0.00000   0.00484   2.93384
   A326       3.35724   0.00014  -0.00371   0.00000  -0.00370   3.35353
   A327       3.07499   0.00019  -0.00292   0.00000  -0.00291   3.07209
   A328       3.21230  -0.00028  -0.01816   0.00000  -0.01819   3.19411
   A329       3.19517   0.00025   0.06584   0.00000   0.06584   3.26101
   A330       3.23394   0.00024   0.03158   0.00000   0.03158   3.26552
   A331       3.61712   0.00010   0.02467   0.00000   0.02466   3.64178
   A332       3.25027   0.00002  -0.03846   0.00000  -0.03846   3.21181
   A333       3.03424  -0.00007  -0.03420   0.00000  -0.03420   3.00004
   A334       2.97219  -0.00009  -0.03701   0.00000  -0.03701   2.93518
   A335       3.18650   0.00043   0.04174   0.00000   0.04173   3.22823
   A336       3.08689   0.00003  -0.00803   0.00000  -0.00803   3.07885
   A337       3.11006   0.00016  -0.00826   0.00000  -0.00827   3.10179
   A338       3.05475   0.00027  -0.01656   0.00000  -0.01656   3.03818
    D1        2.73646   0.00021   0.02192   0.00000   0.02193   2.75839
    D2       -1.36736   0.00009   0.00552   0.00000   0.00553  -1.36183
    D3        2.81986   0.00021  -0.03758   0.00000  -0.03758   2.78228
    D4       -1.28396   0.00009  -0.05398   0.00000  -0.05398  -1.33794
    D5        1.64210  -0.00038   0.02190   0.00000   0.02190   1.66400
    D6       -2.46172  -0.00050   0.00549   0.00000   0.00550  -2.45622
    D7        1.82006  -0.00010   0.02579   0.00000   0.02580   1.84587
    D8       -2.28376  -0.00022   0.00939   0.00000   0.00940  -2.27435
    D9        0.31148   0.00034   0.01298   0.00000   0.01298   0.32446
   D10        2.49085   0.00022  -0.00343   0.00000  -0.00342   2.48743
   D11        0.03610   0.00020   0.00333   0.00000   0.00333   0.03944
   D12        2.21547   0.00008  -0.01307   0.00000  -0.01307   2.20240
   D13       -0.43041   0.00018   0.00088   0.00000   0.00088  -0.42953
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   D17        0.22001   0.00012  -0.00116   0.00000  -0.00116   0.21885
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   D62        0.75685  -0.00030   0.06987   0.00000   0.06988   0.82673
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   D74        2.44747  -0.00018   0.09299   0.00000   0.09299   2.54046
   D75       -0.84802   0.00046   0.10738   0.00000   0.10736  -0.74066
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   D78        1.94830  -0.00026   0.07267   0.00000   0.07266   2.02095
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   D82        1.84540  -0.00015   0.11428   0.00000   0.11427   1.95967
   D83       -1.55363  -0.00046   0.01884   0.00000   0.01884  -1.53479
   D84       -2.64708  -0.00004   0.03713   0.00000   0.03715  -2.60993
   D85       -2.93995   0.00048  -0.00810   0.00000  -0.00812  -2.94806
   D86        0.71107   0.00010   0.02326   0.00000   0.02326   0.73433
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   D92        2.37171   0.00014   0.03272   0.00000   0.03271   2.40442
   D93        2.02281   0.00023   0.03225   0.00000   0.03225   2.05506
   D94        1.62999   0.00009   0.03252   0.00000   0.03252   1.66251
   D95        1.33825   0.00017   0.03651   0.00000   0.03650   1.37475
   D96        2.02835  -0.00008   0.02800   0.00000   0.02799   2.05634
   D97       -1.97117  -0.00004   0.04580   0.00000   0.04579  -1.92539
   D98       -2.51074   0.00043   0.06909   0.00000   0.06911  -2.44163
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   D454       2.07032  -0.00013  -0.00934   0.00000  -0.00934   2.06099
   D455      -2.12812  -0.00014  -0.00954   0.00000  -0.00954  -2.13767
   D456      -0.03349  -0.00015  -0.01080   0.00000  -0.01080  -0.04430
   D457      -1.13497   0.00013   0.02849   0.00000   0.02850  -1.10648
   D458       0.94977   0.00013   0.02829   0.00000   0.02829   0.97806
   D459       3.04440   0.00012   0.02703   0.00000   0.02703   3.07143
   D460      -3.07091  -0.00049  -0.01956   0.00000  -0.01956  -3.09047
   D461      -0.00730  -0.00050  -0.02270   0.00000  -0.02270  -0.03000
   D462       0.08262  -0.00022  -0.01837   0.00000  -0.01837   0.06424
   D463      -3.13696  -0.00024  -0.02151   0.00000  -0.02151   3.12471
   D464       1.95467   0.00011  -0.01153   0.00000  -0.01153   1.94314
   D465      -2.23393  -0.00015  -0.02323   0.00000  -0.02324  -2.25716
   D466      -0.15523   0.00040  -0.00930   0.00000  -0.00931  -0.16453
   D467      -1.11092   0.00006  -0.00969   0.00000  -0.00969  -1.12061
   D468       0.98367  -0.00020  -0.02139   0.00000  -0.02140   0.96227
   D469       3.06237   0.00035  -0.00747   0.00000  -0.00747   3.05490
   D470      -1.60801   0.00008  -0.04279   0.00000  -0.04279  -1.65080
   D471       0.49621  -0.00034  -0.04273   0.00000  -0.04273   0.45348
   D472       2.58798  -0.00034  -0.04215   0.00000  -0.04215   2.54583
   D473       1.45788   0.00015  -0.04460   0.00000  -0.04460   1.41329
   D474      -2.72109  -0.00027  -0.04453   0.00000  -0.04453  -2.76562
   D475      -0.62932  -0.00027  -0.04395   0.00000  -0.04395  -0.67327
   D476      -0.00080   0.00076   0.00047   0.00000   0.00048  -0.00032
   D477       3.09980   0.00111   0.08216   0.00000   0.08216  -3.10123
   D478       3.10746   0.00036   0.00869   0.00000   0.00869   3.11615
   D479      -0.07513   0.00071   0.09037   0.00000   0.09037   0.01525
   D480      -0.44379   0.00114   0.08843   0.00000   0.08843  -0.35535
   D481       1.68034  -0.00018   0.07174   0.00000   0.07174   1.75208
   D482      -2.50236  -0.00040   0.05854   0.00000   0.05854  -2.44381
   D483       2.73708   0.00081   0.01038   0.00000   0.01038   2.74746
   D484      -1.42197  -0.00050  -0.00632   0.00000  -0.00632  -1.42829
   D485       0.67851  -0.00073  -0.01952   0.00000  -0.01951   0.65900
   D486       0.10077  -0.00001  -0.09615   0.00000  -0.09615   0.00462
   D487       2.20427  -0.00086  -0.10680   0.00000  -0.10680   2.09747
   D488      -2.00012  -0.00033  -0.10008   0.00000  -0.10008  -2.10020
   D489      -3.08015   0.00034  -0.01807   0.00000  -0.01807  -3.09822
   D490      -0.97665  -0.00051  -0.02872   0.00000  -0.02872  -1.00536
   D491       1.10215   0.00002  -0.02200   0.00000  -0.02200   1.08015
         Item               Value     Threshold  Converged?
 Maximum Force            0.004462     0.000450     NO 
 RMS     Force            0.000415     0.000300     NO 
 Maximum Displacement     0.473247     0.001800     NO 
 RMS     Displacement     0.044087     0.001200     NO 
 Predicted change in Energy=-8.470662D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:39:12 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.834248   -0.606651    1.681466
      2          6           0       -2.099373    1.100997   -1.347047
      3          8           0       -2.648809    0.116374   -1.871409
      4          7           0       -0.804957    1.153946   -0.930577
      5          1           0       -2.649607    2.041347   -1.142955
      6          6           0       -0.265099    2.327757   -0.243262
      7          1           0       -1.023350    3.122665   -0.218153
      8          1           0        0.019374    2.058875    0.786967
      9          1           0        0.629072    2.692271   -0.774876
     10          6           0        0.109140    0.022111   -1.102357
     11          1           0        0.681568   -0.124000   -0.172934
     12          1           0       -0.469691   -0.884455   -1.322371
     13          1           0        0.815162    0.219112   -1.925968
     14          6           0       -1.984309   -4.023721    2.610700
     15          8           0       -2.107505   -3.876380    3.838723
     16          7           0       -2.927447   -3.716829    1.678976
     17          1           0       -1.051720   -4.412818    2.155884
     18          6           0       -4.230198   -3.161672    2.054719
     19          1           0       -4.500120   -2.369406    1.338478
     20          1           0       -5.008299   -3.942709    2.028105
     21          1           0       -4.169208   -2.738956    3.065911
     22          6           0       -2.678940   -3.893402    0.247930
     23          1           0       -3.386395   -4.625428   -0.175045
     24          1           0       -2.816508   -2.931446   -0.272935
     25          1           0       -1.649803   -4.246059    0.092578
     26          6           0        1.535273    0.380233    2.623085
     27          8           0        1.350030    1.395327    3.315751
     28          7           0        1.170187   -0.885651    2.964181
     29          1           0        2.019786    0.427393    1.627945
     30          6           0        1.486232   -2.031494    2.111084
     31          1           0        2.236148   -2.677275    2.598093
     32          1           0        0.576180   -2.627774    1.936157
     33          1           0        1.876210   -1.676306    1.147408
     34          6           0        0.531394   -1.171157    4.251424
     35          1           0        1.281786   -1.479265    4.999474
     36          1           0        0.011730   -0.271621    4.605050
     37          1           0       -0.191475   -1.989203    4.118581
     38          6           0       -4.608306    1.213174    2.902122
     39          8           0       -4.866410    1.856387    1.870755
     40          7           0       -3.509706    1.383365    3.687553
     41          1           0       -5.266295    0.398681    3.267729
     42          6           0       -2.486781    2.384993    3.373025
     43          1           0       -2.557584    2.656286    2.311465
     44          1           0       -2.621450    3.286216    3.994038
     45          1           0       -1.493238    1.958063    3.577719
     46          6           0       -3.266774    0.541459    4.859299
     47          1           0       -4.077856   -0.192551    4.961378
     48          1           0       -2.308253    0.008609    4.742238
     49          1           0       -3.214791    1.160716    5.769793
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486867   0.000000
     3  O    3.716072   1.243510   0.000000
     4  N    3.313896   1.360796   2.315494   0.000000
     5  H    3.956521   1.108453   2.058195   2.057989   0.000000
     6  C    3.844159   2.467356   3.636365   1.463448   2.564636
     7  H    4.263087   2.553306   3.796467   2.105017   2.160838
     8  H    3.367651   3.156047   4.237862   2.109117   3.293686
     9  H    4.794210   3.209976   4.310700   2.108821   3.362874
    10  C    3.452790   2.470101   2.864717   1.464968   3.419012
    11  H    3.162448   3.257728   3.746198   2.101648   4.089791
    12  H    3.310925   2.568754   2.460012   2.102614   3.653019
    13  H    4.551355   3.099579   3.465924   2.118845   3.992277
    14  C    3.544343   6.476090   6.137691   6.382771   7.163631
    15  O    3.926775   7.187946   6.988613   7.053158   7.754385
    16  N    3.296710   5.749258   5.232238   5.919390   6.418495
    17  H    3.914630   6.615910   6.267645   6.369930   7.422387
    18  C    3.522503   5.855149   5.353584   6.266485   6.308312
    19  H    3.214315   5.001932   4.462044   5.587204   5.388567
    20  H    4.617796   6.729968   6.103241   7.238631   7.171330
    21  H    3.451877   6.205132   5.902682   6.514967   6.547904
    22  C    3.683920   5.274834   4.535506   5.511481   6.095627
    23  H    4.691093   5.985144   5.089830   6.374623   6.776842
    24  H    3.192051   4.234217   3.445642   4.601006   5.051085
    25  H    3.975409   5.555686   4.887339   5.560636   6.485185
    26  C    3.635142   5.430664   6.146271   4.324792   5.869888
    27  O    4.101028   5.807469   6.673310   4.767970   6.024492
    28  N    3.278693   5.763982   6.242733   4.819782   6.326667
    29  H    3.990700   5.125602   5.842773   3.879831   5.664448
    30  C    3.638727   5.884534   6.129613   4.964703   6.654470
    31  H    4.657876   6.973967   7.186357   6.031425   7.754446
    32  H    3.155942   5.642850   5.694600   4.942380   6.456573
    33  H    3.898317   5.453529   5.727369   4.417806   6.288858
    34  C    3.538306   6.589878   7.018583   5.834815   7.038343
    35  H    4.634684   7.639916   8.074941   6.815702   8.098147
    36  H    3.473791   6.462839   7.012384   5.774286   6.743300
    37  H    3.248028   6.562203   6.808225   5.979109   7.069053
    38  C    3.535133   4.935865   5.275339   5.399866   4.570013
    39  O    3.911061   4.310610   4.684997   4.983602   3.745781
    40  N    3.285075   5.236026   5.766149   5.356812   4.950406
    41  H    3.912273   5.640816   5.774225   6.172499   5.385123
    42  C    3.498158   4.906915   5.716378   4.781737   4.531963
    43  H    3.401011   4.001699   4.894478   3.979895   3.509934
    44  H    4.595878   5.794388   6.667242   5.665514   5.285754
    45  H    3.207776   5.035403   5.866870   4.630882   4.860956
    46  C    3.670003   6.339925   6.772372   6.321262   6.217525
    47  H    3.995383   6.736757   6.987460   6.873141   6.655305
    48  H    3.157777   6.190019   6.623286   5.979341   6.235707
    49  H    4.663037   7.203967   7.732979   7.120555   6.991497
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098842   0.000000
     8  H    1.102086   1.796994   0.000000
     9  H    1.102282   1.796017   1.792282   0.000000
    10  C    2.488796   3.417278   2.779570   2.739951   0.000000
    11  H    2.629113   3.667373   2.474844   2.880360   1.101294
    12  H    3.394797   4.193191   3.653995   3.781534   1.097867
    13  H    2.906002   3.837627   3.373132   2.734256   1.102549
    14  C    7.172312   7.745753   6.658733   7.962189   5.876910
    15  O    7.651691   8.162124   7.004576   8.480645   6.672782
    16  N    6.878962   7.348698   6.545089   7.729604   5.562044
    17  H    7.197919   7.900656   6.701044   7.867447   5.624262
    18  C    7.150983   7.412335   6.849830   8.117128   6.239668
    19  H    6.519252   6.683852   6.351351   7.509691   5.737796
    20  H    8.183874   8.416947   7.926974   9.146563   7.190811
    21  H    7.201686   7.418902   6.764392   8.202035   6.580441
    22  C    6.691093   7.223809   6.557520   7.440442   4.992785
    23  H    7.621937   8.100542   7.563374   8.368542   5.888827
    24  H    5.845493   6.314323   5.836858   6.614390   4.239204
    25  H    6.726459   7.401831   6.559003   7.354331   4.768545
    26  C    3.905142   4.705329   2.913266   4.208665   4.005125
    27  O    4.018039   4.594029   2.933546   4.351446   4.790116
    28  N    4.761694   5.568254   3.838602   5.203353   4.299603
    29  H    3.511908   4.464667   2.714890   3.582919   3.356989
    30  C    5.254824   6.187787   4.542695   5.601558   4.054612
    31  H    6.275339   7.224602   5.534020   6.541532   5.050166
    32  H    5.478587   6.345637   4.857505   5.971213   4.058643
    33  H    4.748862   5.770817   4.186805   4.933052   3.326950
    34  C    5.751434   6.389933   4.764213   6.340292   5.501377
    35  H    6.661272   7.329055   5.644230   7.153382   6.392305
    36  H    5.508133   5.987976   4.473145   6.173279   5.715790
    37  H    6.137364   6.755034   5.247004   6.821688   5.603030
    38  C    5.477151   5.121931   5.157956   6.567966   6.301490
    39  O    5.085600   4.553692   5.008641   6.156167   6.079478
    40  N    5.183692   4.945874   4.617805   6.225432   6.155672
    41  H    6.407836   6.129768   6.070315   7.507235   6.937922
    42  C    4.244606   3.947449   3.615919   5.196927   5.687800
    43  H    3.448195   2.995055   3.053148   4.436393   5.069958
    44  H    4.942241   4.508129   4.331931   5.801828   6.639559
    45  H    4.030495   3.998217   3.175918   4.897790   5.312121
    46  C    6.183611   6.121773   5.448414   7.179662   6.870798
    47  H    6.926569   6.866456   6.267530   7.961281   7.371967
    48  H    5.865845   5.996148   5.026490   6.802093   6.324813
    49  H    6.798493   6.671369   6.007918   7.742974   7.718250
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795799   0.000000
    13  H    1.791285   1.798065   0.000000
    14  C    5.483005   5.255293   6.813225   0.000000
    15  O    6.160574   6.186351   7.651582   1.242951   0.000000
    16  N    5.418761   4.803227   6.518771   1.360809   2.315658
    17  H    5.178962   4.988623   6.449926   1.108141   2.057764
    18  C    6.189938   5.543633   7.261628   2.469061   2.863443
    19  H    5.846033   5.052678   6.753463   3.268732   3.774493
    20  H    7.197339   6.416975   8.177294   3.080664   3.420138
    21  H    6.392037   6.031801   7.649378   2.575193   2.478223
    22  C    5.067399   4.049739   5.817848   2.466207   3.636018
    23  H    6.067221   4.880409   6.647434   3.176203   4.278664
    24  H    4.486456   3.286189   5.084050   3.193896   4.278004
    25  H    4.743117   3.833422   5.485284   2.549954   3.792065
    26  C    2.966612   4.602819   4.608514   5.637591   5.732920
    27  O    3.863434   5.479139   5.398628   6.401640   6.326053
    28  N    3.265020   4.589524   5.025943   4.463550   4.522449
    29  H    2.310417   4.077108   3.758297   6.067208   6.359602
    30  C    3.082654   4.114602   4.670477   4.032772   4.393551
    31  H    4.076092   5.089774   5.556562   4.430049   4.673793
    32  H    3.275402   3.840705   4.803945   2.993290   3.518656
    33  H    2.362230   3.497154   3.763519   4.749231   5.287106
    34  C    4.549069   5.670234   6.338260   4.142205   3.801624
    35  H    5.380595   6.586895   7.145906   4.779945   4.310545
    36  H    4.826966   5.978432   6.598524   4.694663   4.251201
    37  H    4.760072   5.558942   6.513567   3.102777   2.703873
    38  C    6.263127   6.274912   7.328889   5.864756   5.747590
    39  O    6.235275   6.086001   7.026809   6.590121   6.659510
    40  N    5.894259   6.283633   7.181337   5.720405   5.445544
    41  H    6.891185   6.761869   7.999429   5.546238   5.346039
    42  C    5.376552   6.066687   6.608571   6.473426   6.290113
    43  H    4.939062   5.486430   5.938946   6.711235   6.723899
    44  H    6.316894   7.091458   7.500927   7.466910   7.182690
    45  H    4.809591   5.756600   6.216368   6.079311   5.872493
    46  C    6.430833   6.933250   7.925022   5.248027   4.680041
    47  H    7.001284   7.278949   8.458525   4.958477   4.325880
    48  H    5.754609   6.399793   7.366478   4.572536   3.993718
    49  H    7.221365   7.875094   8.737957   6.194542   5.507037
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056744   0.000000
    18  C    1.465109   3.417356   0.000000
    19  H    2.098758   4.090861   1.101610   0.000000
    20  H    2.121994   3.986458   1.102800   1.791400   0.000000
    21  H    2.102807   3.653587   1.097687   1.797246   1.797258
    22  C    1.463156   2.560845   2.491249   2.613151   2.932127
    23  H    2.115083   3.305925   2.797576   2.936115   2.819671
    24  H    2.106915   3.347851   2.733039   2.397309   3.334874
    25  H    2.104547   2.154703   3.418236   3.632961   3.888159
    26  C    6.131324   5.466640   6.790346   6.755494   7.865123
    27  O    6.863671   6.391263   7.314054   7.232362   8.401250
    28  N    5.143727   4.246307   5.930561   6.082501   6.956689
    29  H    6.453859   5.756780   7.219822   7.100356   8.285644
    30  C    4.744221   3.480505   5.827354   6.045454   6.770418
    31  H    5.346790   3.744027   6.507190   6.859935   7.376193
    32  H    3.677986   2.425844   4.837393   5.117889   5.737936
    33  H    5.246086   4.132590   6.349626   6.416734   7.301279
    34  C    5.006148   4.172038   5.608958   5.936091   6.581249
    35  H    5.809478   4.704996   6.471788   6.901135   7.379888
    36  H    5.391673   4.927358   5.731539   5.952141   6.731881
    37  H    4.052395   3.235137   4.684602   5.141784   5.602505
    38  C    5.350355   6.697609   4.472173   3.910443   5.244714
    39  O    5.903989   7.344119   5.061573   4.274905   5.802965
    40  N    5.512295   6.479464   4.882890   4.536779   5.776384
    41  H    4.993172   6.492254   3.901410   3.459962   4.522267
    42  C    6.347931   7.053444   5.961789   5.549525   6.943103
    43  H    6.415094   7.229389   6.059058   5.475192   7.045071
    44  H    7.382126   8.069571   6.922736   6.524374   7.862524
    45  H    6.153583   6.542529   6.001847   5.725603   7.041027
    46  C    5.325657   6.062985   4.744158   4.731856   5.581786
    47  H    4.951580   5.902453   4.157830   4.247636   4.851134
    48  H    4.862702   5.274194   4.579008   4.695191   5.501789
    49  H    6.372425   6.985950   5.789289   5.809508   6.577374
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390378   0.000000
    23  H    3.830844   1.102389   0.000000
    24  H    3.607596   1.102536   1.789952   0.000000
    25  H    4.178453   1.098919   1.797580   1.795274   0.000000
    26  C    6.516636   6.454837   7.557049   6.188065   6.160419
    27  O    6.900486   7.322211   8.418364   6.997118   7.156331
    28  N    5.652807   5.589308   6.678556   5.527923   5.243166
    29  H    7.099096   6.530830   7.616335   6.187478   6.137132
    30  C    5.778945   4.928154   5.974728   5.000703   4.337440
    31  H    6.422713   5.582143   6.564951   5.816935   4.882551
    32  H    4.879284   3.879140   4.914244   4.059881   3.312496
    33  H    6.430938   5.145286   6.175857   5.061062   4.488771
    34  C    5.095007   5.809030   6.846508   5.897193   5.613256
    35  H    5.919360   6.640224   7.646299   6.833969   6.350353
    36  H    5.092832   6.272281   7.304259   6.234448   6.238530
    37  H    4.182416   4.979498   5.965938   5.202310   4.840332
    38  C    3.979820   6.069952   6.712026   5.519909   6.815388
    39  O    4.799132   6.362284   6.956268   5.632126   7.123786
    40  N    4.220772   6.353382   7.144261   5.897761   6.933506
    41  H    3.330030   5.851118   6.374040   5.443116   6.688364
    42  C    5.401827   7.015796   7.908483   6.454942   7.445316
    43  H    5.681123   6.868138   7.739057   6.161892   7.306839
    44  H    6.289648   8.098367   8.975550   7.543502   8.538188
    45  H    5.429987   6.836156   7.810866   6.362851   7.117714
    46  C    3.846005   6.424817   7.214960   6.213183   6.946695
    47  H    3.175740   6.153850   6.819924   6.040744   6.784659
    48  H    3.717841   5.963381   6.842248   5.835598   6.336805
    49  H    4.840386   7.504814   8.297591   7.308829   7.994572
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242786   0.000000
    28  N    1.360918   2.314909   0.000000
    29  H    1.107827   2.057708   2.057044   0.000000
    30  C    2.465964   3.634952   1.463084   2.562075   0.000000
    31  H    3.136910   4.229223   2.116650   3.259902   1.102989
    32  H    3.231074   4.322900   2.108239   3.393087   1.101973
    33  H    2.554059   3.796513   2.103395   2.162656   1.098596
    34  C    2.462940   2.851751   1.465116   3.413695   2.496587
    35  H    3.028071   3.332095   2.123028   3.942993   2.947804
    36  H    2.583463   2.496408   2.100359   3.658424   3.389863
    37  H    3.291261   3.804710   2.098711   4.114958   2.616588
    38  C    6.206063   5.975452   6.148162   6.795041   6.949605
    39  O    6.612608   6.398806   6.719737   7.037093   7.451808
    40  N    5.252731   4.873952   5.251010   5.977555   6.253473
    41  H    6.832075   6.691141   6.570385   7.468380   7.269127
    42  C    4.556138   3.962807   4.923178   5.214083   6.073112
    43  H    4.693507   4.227062   5.183400   5.136875   6.194181
    44  H    5.253817   4.450639   5.730758   5.942419   6.978295
    45  H    3.545808   2.910235   3.944233   4.299524   5.190840
    46  C    5.299652   4.942318   5.031376   6.196966   6.063320
    47  H    6.107612   5.889940   5.657839   6.976916   6.516515
    48  H    4.404726   4.164238   4.007584   5.348469   5.048080
    49  H    5.751003   5.187962   5.593488   6.715167   6.758401
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787765   0.000000
    33  H    1.798883   1.793738   0.000000
    34  C    2.812131   2.735726   3.420325   0.000000
    35  H    2.848274   3.346769   3.902637   1.103448   0.000000
    36  H    3.842276   3.604588   4.171896   1.097391   1.796390
    37  H    2.945960   2.400008   3.633331   1.099721   1.790672
    38  C    7.878742   6.524176   7.312802   5.824273   6.807444
    39  O    8.457508   7.052217   7.646312   6.630979   7.662622
    40  N    7.119731   5.987578   6.694925   4.813940   5.733602
    41  H    8.136128   6.713198   7.734127   6.086480   7.028726
    42  C    6.966573   6.047657   6.362643   4.746279   5.637369
    43  H    7.176970   6.154886   6.307529   5.287205   6.250515
    44  H    7.817170   7.031002   7.277285   5.465788   6.241471
    45  H    6.029457   5.292176   5.519804   3.787483   4.640837
    46  C    6.764278   5.775561   6.719145   4.210540   4.979194
    47  H    7.185097   6.061545   7.224875   4.765175   5.512064
    48  H    5.697623   4.810879   5.768143   3.113894   3.894653
    49  H    7.382588   6.589453   7.438645   4.666581   5.270873
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796673   0.000000
    38  C    5.142890   5.589579   0.000000
    39  O    5.983397   6.457268   1.242601   0.000000
    40  N    3.997661   4.750859   1.361172   2.316280   0.000000
    41  H    5.485917   5.672719   1.109062   2.058240   2.057052
    42  C    3.849421   4.995786   2.468963   2.863368   1.465797
    43  H    4.520458   5.517673   2.576219   2.482890   2.102494
    44  H    4.468241   5.809504   3.072032   3.404789   2.122209
    45  H    2.879553   4.191424   3.273368   3.781846   2.099639
    46  C    3.387378   4.050973   2.466060   3.635831   1.463151
    47  H    4.105842   4.363741   2.549113   3.791031   2.104504
    48  H    2.340870   2.976735   3.182334   4.266599   2.108507
    49  H    3.717345   4.667862   3.188758   4.291189   2.114774
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417927   0.000000
    43  H    3.653537   1.097963   0.000000
    44  H    3.982535   1.102721   1.797760   0.000000
    45  H    4.094353   1.100589   1.795479   1.791696   0.000000
    46  C    2.559603   2.493194   3.386281   2.949374   2.606654
    47  H    2.151834   3.420251   4.177216   3.893415   3.635919
    48  H    3.328115   2.748420   3.602917   3.376477   2.412618
    49  H    3.324108   2.788072   3.824746   2.832509   2.899086
                   46         47         48         49
    46  C    0.000000
    47  H    1.098656   0.000000
    48  H    1.102903   1.794432   0.000000
    49  H    1.102352   1.797150   1.790260   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2139411      0.1938232      0.1842717
 Leave Link  202 at Mon Nov 14 02:39:12 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0382090444 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839676054 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8542414390 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4025
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.54D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     213
 GePol: Fraction of low-weight points (<1% of avg)   =       5.29%
 GePol: Cavity surface area                          =    467.174 Ang**2
 GePol: Cavity volume                                =    457.859 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040181341 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8502233049 Hartrees.
 Leave Link  301 at Mon Nov 14 02:39:13 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:39:14 2016, MaxMem=  2952790016 cpu:        15.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:39:14 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Lowest energy guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000486    0.000346   -0.000244
         Rot=    1.000000   -0.000014   -0.000031    0.000007 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 B after Tr=     0.030527   -0.027650    0.014213
         Rot=    0.999998    0.001273    0.001782   -0.000073 Ang=   0.25 deg.
 Guess basis will be translated and rotated to current coordinates.
 CkInt1:  FT= 1.54D-02
 Max alpha theta=  3.467 degrees.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 02:39:15 2016, MaxMem=  2952790016 cpu:        13.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48601875.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   2559.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.06D-15 for   2158   1656.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   1979.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.78D-12 for   1994   1950.
 E= -1013.45129760071    
 DIIS: error= 7.79D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45129760071     IErMin= 1 ErrMin= 7.79D-06
 ErrMax= 7.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.75D-08 BMatP= 3.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=    17.010 Goal=   None    Shift=    0.000
 RMSDP=2.17D-06 MaxDP=1.10D-04              OVMax= 5.14D-05

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.16D-06    CP:  1.00D+00
 E= -1013.45129762361     Delta-E=       -0.000000022905 Rises=F Damp=F
 DIIS: error= 5.30D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45129762361     IErMin= 2 ErrMin= 5.30D-06
 ErrMax= 5.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-08 BMatP= 3.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.379D+00 0.621D+00
 Coeff:      0.379D+00 0.621D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.85D-07 MaxDP=5.23D-05 DE=-2.29D-08 OVMax= 7.06D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.71D-07    CP:  1.00D+00  9.46D-01
 E= -1013.45129761495     Delta-E=        0.000000008658 Rises=F Damp=F
 DIIS: error= 7.78D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45129762361     IErMin= 2 ErrMin= 5.30D-06
 ErrMax= 7.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-08 BMatP= 1.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.314D-01 0.545D+00 0.424D+00
 Coeff:      0.314D-01 0.545D+00 0.424D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.62D-07 MaxDP=3.48D-05 DE= 8.66D-09 OVMax= 5.02D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.76D-07    CP:  1.00D+00  9.85D-01  3.80D-01
 E= -1013.45129763742     Delta-E=       -0.000000022463 Rises=F Damp=F
 DIIS: error= 3.37D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45129763742     IErMin= 4 ErrMin= 3.37D-06
 ErrMax= 3.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-09 BMatP= 1.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-02 0.350D+00 0.303D+00 0.345D+00
 Coeff:      0.171D-02 0.350D+00 0.303D+00 0.345D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.15D-07 MaxDP=7.67D-06 DE=-2.25D-08 OVMax= 1.58D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.27D-08    CP:  1.00D+00  9.81D-01  4.45D-01  4.81D-01
 E= -1013.45129763929     Delta-E=       -0.000000001871 Rises=F Damp=F
 DIIS: error= 4.03D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45129763929     IErMin= 5 ErrMin= 4.03D-07
 ErrMax= 4.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-11 BMatP= 2.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.137D-02 0.142D+00 0.127D+00 0.181D+00 0.552D+00
 Coeff:     -0.137D-02 0.142D+00 0.127D+00 0.181D+00 0.552D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.30D-08 MaxDP=1.28D-06 DE=-1.87D-09 OVMax= 1.45D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.63D-08    CP:  1.00D+00  9.81D-01  4.42D-01  4.63D-01  7.00D-01
 E= -1013.45129763938     Delta-E=       -0.000000000089 Rises=F Damp=F
 DIIS: error= 7.12D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45129763938     IErMin= 6 ErrMin= 7.12D-08
 ErrMax= 7.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.03D-12 BMatP= 3.66D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.780D-03 0.449D-01 0.418D-01 0.663D-01 0.295D+00 0.553D+00
 Coeff:     -0.780D-03 0.449D-01 0.418D-01 0.663D-01 0.295D+00 0.553D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.11D-09 MaxDP=2.83D-07 DE=-8.87D-11 OVMax= 3.21D-07

 Error on total polarization charges =  0.04309
 SCF Done:  E(RB97D) =  -1013.45129764     A.U. after    6 cycles
            NFock=  6  Conv=0.71D-08     -V/T= 2.0213
 KE= 9.923481933045D+02 PE=-6.027218012560D+03 EE= 2.173568298311D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:40:33 2016, MaxMem=  2952790016 cpu:       878.6
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 02:40:42 2016, MaxMem=  2952790016 cpu:        97.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:40:42 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:41:19 2016, MaxMem=  2952790016 cpu:       441.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.20864456D+00-2.67867967D+00 3.27313677D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000029406    0.000062814   -0.000027625
      2        6           0.000111284   -0.000033037    0.000102147
      3        8           0.000003155    0.000055079   -0.000099887
      4        7           0.000050734    0.000063877    0.000011790
      5        1           0.000011079    0.000025025    0.000016240
      6        6           0.000050367   -0.000064272   -0.000075575
      7        1           0.000005500    0.000018833    0.000051249
      8        1          -0.000019454    0.000003790   -0.000003859
      9        1           0.000000057    0.000078068    0.000079648
     10        6           0.000027440    0.000011310   -0.000008528
     11        1          -0.000007043    0.000037092    0.000019018
     12        1           0.000013610    0.000044106    0.000000428
     13        1           0.000029212    0.000023214    0.000024554
     14        6          -0.000055700   -0.000004546   -0.000007603
     15        8          -0.000002855   -0.000034096   -0.000021972
     16        7          -0.000013238    0.000024375   -0.000024394
     17        1           0.000010712    0.000010247   -0.000022997
     18        6           0.000008373   -0.000004937   -0.000040713
     19        1          -0.000000902   -0.000001106   -0.000049329
     20        1           0.000001418   -0.000007652   -0.000050145
     21        1          -0.000008586   -0.000012000   -0.000044551
     22        6          -0.000009127    0.000005111   -0.000024839
     23        1           0.000027770    0.000015643   -0.000059519
     24        1           0.000027442    0.000011952   -0.000029194
     25        1           0.000021130    0.000017081   -0.000026558
     26        6           0.000005092    0.000024163    0.000080779
     27        8           0.000020994    0.000007596    0.000041167
     28        7           0.000008364    0.000029223    0.000012343
     29        1          -0.000022695    0.000014561    0.000021747
     30        6          -0.000038592   -0.000037374   -0.000008309
     31        1           0.000018982    0.000027993    0.000003243
     32        1           0.000013583   -0.000002101    0.000013427
     33        1          -0.000008960    0.000011248    0.000012108
     34        6          -0.000019016   -0.000057886    0.000022404
     35        1          -0.000018132   -0.000008639    0.000004542
     36        1          -0.000041754   -0.000022096   -0.000005659
     37        1          -0.000006660   -0.000022954    0.000005893
     38        6          -0.000018302   -0.000119121    0.000065893
     39        8           0.000074367   -0.000033952    0.000023415
     40        7          -0.000034294    0.000142520   -0.000104847
     41        1          -0.000029108   -0.000007828   -0.000015384
     42        6          -0.000272875   -0.000238131    0.000104713
     43        1          -0.000030736    0.000019655    0.000017570
     44        1           0.000094084    0.000045359   -0.000043176
     45        1          -0.000007035    0.000018243    0.000073367
     46        6           0.000096313   -0.000052238    0.000016168
     47        1          -0.000001124   -0.000048014   -0.000011795
     48        1          -0.000069322   -0.000007024    0.000006933
     49        1          -0.000024958   -0.000029177   -0.000024327
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000272875 RMS     0.000050673
 Leave Link  716 at Mon Nov 14 02:41:19 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000090072 RMS     0.000010542
 Search for a local minimum.
 Step number  55 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .10542D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48   49   50   51
                                                     52   53   54   55
 ITU=  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00000   0.00000   0.00018   0.00082   0.00167
     Eigenvalues ---    0.00185   0.00309   0.00355   0.00359   0.00404
     Eigenvalues ---    0.00565   0.00606   0.00686   0.00694   0.00719
     Eigenvalues ---    0.00757   0.00844   0.00867   0.01010   0.01034
     Eigenvalues ---    0.01101   0.01129   0.01225   0.01275   0.01288
     Eigenvalues ---    0.01396   0.01509   0.01553   0.01670   0.01680
     Eigenvalues ---    0.01690   0.01754   0.01800   0.01853   0.01892
     Eigenvalues ---    0.01927   0.02092   0.02142   0.02192   0.02313
     Eigenvalues ---    0.02358   0.02426   0.02645   0.02936   0.03092
     Eigenvalues ---    0.03469   0.03801   0.04074   0.04329   0.04700
     Eigenvalues ---    0.04830   0.05281   0.05644   0.05869   0.06075
     Eigenvalues ---    0.06134   0.06336   0.06476   0.06747   0.06932
     Eigenvalues ---    0.07029   0.07229   0.07837   0.07963   0.08014
     Eigenvalues ---    0.08108   0.08208   0.08277   0.08469   0.08639
     Eigenvalues ---    0.08794   0.08825   0.08972   0.09163   0.09449
     Eigenvalues ---    0.09535   0.09743   0.09866   0.10081   0.10284
     Eigenvalues ---    0.10425   0.10486   0.10616   0.10881   0.11174
     Eigenvalues ---    0.11239   0.11273   0.11630   0.11922   0.13190
     Eigenvalues ---    0.13498   0.13942   0.14616   0.15215   0.15357
     Eigenvalues ---    0.15491   0.15763   0.20196   0.22134   0.22491
     Eigenvalues ---    0.23463   0.24638   0.24712   0.25403   0.26074
     Eigenvalues ---    0.27089   0.27500   0.28392   0.29262   0.29578
     Eigenvalues ---    0.29845   0.31192   0.32708   0.32755   0.32821
     Eigenvalues ---    0.32828   0.33305   0.33354   0.33371   0.33376
     Eigenvalues ---    0.33414   0.33427   0.33435   0.33483   0.33690
     Eigenvalues ---    0.33792   0.33813   0.33831   0.33925   0.33965
     Eigenvalues ---    0.34008   0.34075   0.34150   0.37287   0.39004
     Eigenvalues ---    0.39945   0.42717   0.85918   0.86043   0.86127
     Eigenvalues ---    0.87330
 Eigenvalue     1 is  -1.96D-06 should be greater than     0.000000 Eigenvector:
                         D381      D383      D389      D373      D375
   1                   -0.18396  -0.18113  -0.17652  -0.17397  -0.17363
                         D397      D371      D399      D369      D395
   1                   -0.16352  -0.16206  -0.16203  -0.16084  -0.15795
 Eigenvalue     2 is   2.40D-06 Eigenvector:
                          R4       D486       R3       D480      D377
   1                    0.14760   0.14215   0.13688  -0.13418  -0.12967
                         D482       D29      D379      D488      D487
   1                   -0.12944   0.12817  -0.12359   0.11940   0.11705
 Use linear search instead of GDIIS.
 RFO step:  Lambda=-1.06982684D-04 EMin=-1.00000000D-04
 I=     1 Eig=   -1.00D-04 Dot1= -1.59D-05
 I=     1 Stepn= -6.00D-01 RXN=   6.00D-01 EDone=F
 Mixed    1 eigenvectors in step.  Raw Step.Grad=  1.59D-05.
 RFO eigenvector is Hessian eigenvector with negative curvature.
 Taking step of  6.00D-01 in eigenvector direction(s).  Step.Grad= -1.80D-06.
 Quartic linear search produced a step of  0.00338.
 Iteration  1 RMS(Cart)=  0.01255471 RMS(Int)=  0.00448205
 Iteration  2 RMS(Cart)=  0.00562361 RMS(Int)=  0.00021144
 Iteration  3 RMS(Cart)=  0.00002501 RMS(Int)=  0.00019654
 Iteration  4 RMS(Cart)=  0.00000005 RMS(Int)=  0.00019654
 ITry= 1 IFail=0 DXMaxC= 1.59D-01 DCOld= 1.00D+10 DXMaxT= 3.34D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58922   0.00001   0.00024  -0.00949  -0.00922   6.58001
    R2        6.26236   0.00003   0.00052   0.00734   0.00779   6.27015
    R3        7.26441   0.00000   0.00060   0.04580   0.04624   7.31065
    R4        6.36394  -0.00001   0.00088   0.06147   0.06242   6.42636
    R5        6.52483   0.00004   0.00017  -0.00830  -0.00824   6.51659
    R6        5.97616   0.00000  -0.00003   0.02726   0.02722   6.00338
    R7        6.69784   0.00001   0.00006  -0.00681  -0.00676   6.69107
    R8        6.22988   0.00000  -0.00005  -0.00290  -0.00297   6.22691
    R9        6.65657   0.00001   0.00012  -0.00285  -0.00273   6.65384
   R10        6.07417   0.00000  -0.00012   0.00417   0.00407   6.07824
   R11        6.96160  -0.00001  -0.00005   0.00364   0.00365   6.96525
   R12        6.03210   0.00000  -0.00007   0.01044   0.01034   6.04244
   R13        6.86942   0.00002  -0.00005  -0.01543  -0.01550   6.85392
   R14        6.19583   0.00000   0.00002   0.00708   0.00701   6.20285
   R15        6.87620  -0.00002   0.00009   0.02192   0.02189   6.89809
   R16        5.96387   0.00000   0.00018   0.00929   0.00955   5.97341
   R17        6.68643   0.00002   0.00003   0.00339   0.00339   6.68981
   R18        6.68043  -0.00004  -0.00027  -0.02708  -0.02751   6.65293
   R19        6.20789  -0.00001   0.00014  -0.02992  -0.03022   6.17767
   R20        6.61056  -0.00002   0.00011  -0.03127  -0.03133   6.57923
   R21        6.06182   0.00003   0.00010   0.06048   0.06134   6.12316
   R22        6.93530  -0.00002  -0.00002   0.01104   0.01056   6.94586
   R23        5.96733   0.00001  -0.00016   0.01145   0.01121   5.97854
   R24        2.34989   0.00003   0.00001   0.00017   0.00018   2.35008
   R25        2.57153  -0.00002  -0.00001   0.00150   0.00165   2.57318
   R26        2.09467   0.00001   0.00000  -0.00121  -0.00121   2.09346
   R27        2.76552  -0.00003  -0.00006   0.00045   0.00060   2.76611
   R28        2.76839  -0.00001  -0.00002   0.00113   0.00123   2.76962
   R29        2.07651   0.00000   0.00001   0.00018   0.00019   2.07670
   R30        2.08264  -0.00002  -0.00005   0.00363   0.00366   2.08630
   R31        2.08301  -0.00001   0.00000   0.00008   0.00008   2.08309
   R32        2.08114   0.00000   0.00000  -0.00018  -0.00005   2.08109
   R33        2.07467  -0.00001   0.00000   0.00014   0.00013   2.07480
   R34        2.08351   0.00000   0.00000  -0.00010  -0.00010   2.08342
   R35        2.34884   0.00001   0.00000  -0.00015  -0.00015   2.34868
   R36        2.57156   0.00001   0.00000  -0.00070  -0.00054   2.57102
   R37        2.09408   0.00000   0.00000   0.00018   0.00018   2.09426
   R38        2.76865  -0.00001  -0.00001  -0.00024  -0.00025   2.76840
   R39        2.76496   0.00001   0.00000  -0.00006   0.00011   2.76507
   R40        2.08174   0.00000   0.00000   0.00055   0.00054   2.08228
   R41        2.08399   0.00000   0.00000   0.00013   0.00013   2.08412
   R42        2.07433  -0.00001  -0.00001   0.00015   0.00014   2.07447
   R43        2.08321   0.00000   0.00000   0.00006   0.00006   2.08327
   R44        2.08349   0.00000  -0.00001   0.00014  -0.00031   2.08318
   R45        2.07666   0.00000   0.00000  -0.00010  -0.00010   2.07655
   R46        2.34852   0.00001   0.00001  -0.00001   0.00000   2.34852
   R47        2.57176   0.00001  -0.00001  -0.00280  -0.00270   2.56906
   R48        2.09349   0.00000   0.00000   0.00006   0.00006   2.09355
   R49        2.76483   0.00002   0.00001  -0.00207  -0.00191   2.76292
   R50        2.76867   0.00001   0.00000  -0.00074  -0.00069   2.76798
   R51        2.08435   0.00000   0.00000  -0.00014  -0.00014   2.08420
   R52        2.08243  -0.00001   0.00000  -0.00144  -0.00119   2.08124
   R53        2.07605   0.00000   0.00000   0.00048   0.00048   2.07653
   R54        2.08522  -0.00001   0.00000   0.00022   0.00021   2.08543
   R55        2.07377   0.00000   0.00001  -0.00018  -0.00018   2.07359
   R56        2.07817   0.00000   0.00000  -0.00004  -0.00004   2.07813
   R57        2.34818  -0.00005   0.00001  -0.00172  -0.00171   2.34647
   R58        2.57224  -0.00006  -0.00002  -0.00441  -0.00424   2.56800
   R59        2.09582   0.00000   0.00000  -0.00101  -0.00100   2.09482
   R60        2.76996  -0.00009  -0.00009   0.00013   0.00033   2.77029
   R61        2.76495   0.00003   0.00003   0.00134   0.00164   2.76659
   R62        2.07485   0.00001   0.00000   0.00055   0.00054   2.07539
   R63        2.08384   0.00000   0.00001  -0.00001   0.00001   2.08385
   R64        2.07981   0.00002   0.00002  -0.00368  -0.00278   2.07703
   R65        2.07616   0.00000   0.00000   0.00025   0.00025   2.07641
   R66        2.08419  -0.00005  -0.00002   0.00132   0.00131   2.08549
   R67        2.08314  -0.00002  -0.00002  -0.00020  -0.00022   2.08293
    A1        0.67984  -0.00001  -0.00007  -0.00325  -0.00329   0.67655
    A2        0.95638  -0.00001  -0.00007  -0.00404  -0.00409   0.95229
    A3        0.72778  -0.00001  -0.00004   0.00107   0.00109   0.72886
    A4        1.01978  -0.00001  -0.00005   0.00073   0.00071   1.02049
    A5        2.34150   0.00000   0.00006   0.00879   0.00885   2.35035
    A6        2.02212   0.00000   0.00007   0.01087   0.01093   2.03305
    A7        1.97745   0.00001   0.00008   0.01245   0.01251   1.98997
    A8        1.68387   0.00001   0.00011   0.01175   0.01184   1.69571
    A9        1.65241   0.00000   0.00006   0.00967   0.00971   1.66212
   A10        1.37096   0.00000   0.00006   0.01042   0.01059   1.38155
   A11        1.73403  -0.00001  -0.00004  -0.00463  -0.00478   1.72925
   A12        2.03885  -0.00001  -0.00004  -0.00134  -0.00149   2.03736
   A13        1.94304  -0.00001  -0.00002   0.00410   0.00398   1.94702
   A14        2.02841  -0.00001   0.00003   0.00317   0.00309   2.03150
   A15        2.43383  -0.00001  -0.00003  -0.00393  -0.00411   2.42972
   A16        1.55893   0.00002  -0.00019   0.00796   0.00796   1.56688
   A17        1.76700   0.00000  -0.00017   0.00040   0.00033   1.76733
   A18        1.55778   0.00001  -0.00011  -0.01067  -0.01074   1.54704
   A19        1.70112   0.00000  -0.00007  -0.00555  -0.00593   1.69520
   A20        2.17631   0.00001  -0.00016  -0.00068  -0.00088   2.17543
   A21        2.39651   0.00000  -0.00012  -0.00442  -0.00459   2.39193
   A22        0.64212  -0.00001  -0.00011  -0.00299  -0.00309   0.63902
   A23        0.65939  -0.00001  -0.00004  -0.00071  -0.00073   0.65867
   A24        2.39205   0.00001   0.00006   0.00260   0.00263   2.39467
   A25        2.21883   0.00000   0.00008   0.00804   0.00811   2.22693
   A26        2.31875   0.00000   0.00008   0.01186   0.01193   2.33069
   A27        2.05426   0.00000   0.00011   0.01163   0.01174   2.06600
   A28        1.81162   0.00000   0.00008   0.00810   0.00817   1.81979
   A29        1.57071   0.00000   0.00008   0.01049   0.01068   1.58139
   A30        1.34081  -0.00001  -0.00002  -0.00414  -0.00423   1.33658
   A31        1.63981  -0.00001  -0.00002  -0.00239  -0.00248   1.63733
   A32        1.58846  -0.00001  -0.00001   0.00004  -0.00003   1.58843
   A33        1.73820  -0.00001   0.00002  -0.00281  -0.00284   1.73536
   A34        2.03711  -0.00001  -0.00001  -0.00351  -0.00358   2.03353
   A35        1.81564   0.00002  -0.00019   0.01781   0.01770   1.83334
   A36        1.89432   0.00000  -0.00016   0.01042   0.01033   1.90465
   A37        1.55553   0.00001  -0.00010   0.00191   0.00190   1.55742
   A38        1.57895   0.00000  -0.00005   0.00573   0.00553   1.58447
   A39        2.26210   0.00000  -0.00012   0.00479   0.00462   2.26672
   A40        2.35619   0.00000  -0.00003  -0.00056  -0.00064   2.35555
   A41        0.68813   0.00000  -0.00004  -0.00190  -0.00194   0.68618
   A42        0.74539  -0.00001  -0.00004  -0.00289  -0.00290   0.74249
   A43        2.65618   0.00001   0.00005  -0.00438  -0.00435   2.65183
   A44        2.59660   0.00000   0.00004   0.00370   0.00372   2.60032
   A45        2.65597   0.00000   0.00001   0.00946   0.00947   2.66544
   A46        2.35144   0.00000   0.00003   0.00921   0.00924   2.36068
   A47        2.18929   0.00000   0.00004   0.00427   0.00431   2.19359
   A48        1.95519   0.00000   0.00003   0.00685   0.00701   1.96220
   A49        1.09741   0.00000   0.00001  -0.00562  -0.00564   1.09177
   A50        1.45735  -0.00001   0.00001  -0.00503  -0.00505   1.45230
   A51        1.55633  -0.00001   0.00000  -0.00528  -0.00529   1.55104
   A52        1.79005   0.00000   0.00002  -0.00879  -0.00876   1.78129
   A53        1.78497   0.00000   0.00003  -0.00497  -0.00497   1.78000
   A54        1.67121   0.00002  -0.00015   0.02688   0.02677   1.69797
   A55        1.62235   0.00000  -0.00011   0.01816   0.01811   1.64045
   A56        1.22966   0.00001  -0.00006   0.01077   0.01087   1.24053
   A57        1.20496   0.00001   0.00000   0.01161   0.01158   1.21654
   A58        1.93272   0.00000  -0.00006   0.00951   0.00940   1.94211
   A59        1.97997   0.00000   0.00003   0.00346   0.00343   1.98340
   A60        0.83916   0.00000  -0.00018   0.00039   0.00017   0.83933
   A61        0.77499  -0.00001  -0.00020  -0.00049  -0.00070   0.77429
   A62        2.59833   0.00001  -0.00010  -0.00413  -0.00424   2.59410
   A63        2.76262   0.00000  -0.00009   0.00301   0.00288   2.76549
   A64        2.61045  -0.00001   0.00007   0.00717   0.00721   2.61767
   A65        2.38769   0.00000  -0.00007   0.00572   0.00563   2.39332
   A66        2.19347  -0.00001  -0.00005   0.00849   0.00852   2.20199
   A67        0.85492   0.00000  -0.00008  -0.00507  -0.00520   0.84972
   A68        1.23120   0.00000  -0.00009  -0.00439  -0.00453   1.22667
   A69        1.40911   0.00000  -0.00015  -0.00504  -0.00521   1.40390
   A70        1.67894   0.00000  -0.00015  -0.00814  -0.00828   1.67066
   A71        1.52198   0.00000  -0.00002  -0.00432  -0.00438   1.51760
   A72        1.68724   0.00001   0.00006   0.02690   0.02701   1.71425
   A73        1.53424   0.00000   0.00009   0.01857   0.01870   1.55294
   A74        1.10874   0.00002   0.00011   0.01437   0.01464   1.12338
   A75        1.00708   0.00001   0.00013   0.01443   0.01459   1.02166
   A76        1.76933   0.00000   0.00011   0.00819   0.00826   1.77759
   A77        1.75774   0.00000   0.00015   0.00255   0.00268   1.76042
   A78        1.99410   0.00001   0.00008  -0.00051  -0.00042   1.99368
   A79        1.93674   0.00000   0.00010   0.00376   0.00388   1.94062
   A80        2.21474   0.00000   0.00010   0.00695   0.00708   2.22182
   A81        2.07219   0.00000   0.00014   0.00792   0.00812   2.08030
   A82        1.54858   0.00000   0.00010   0.00532   0.00545   1.55403
   A83        1.38185   0.00000   0.00010   0.00879   0.00903   1.39088
   A84        1.20005   0.00000   0.00001   0.00239   0.00231   1.20236
   A85        1.38489   0.00000   0.00001   0.00315   0.00309   1.38798
   A86        1.21630   0.00000   0.00002   0.00374   0.00372   1.22002
   A87        1.31998   0.00000   0.00005  -0.00105  -0.00101   1.31896
   A88        1.81146   0.00000   0.00001   0.00278   0.00273   1.81419
   A89        2.24762   0.00001  -0.00021   0.01676   0.01642   2.26404
   A90        2.30380   0.00000  -0.00016   0.01457   0.01435   2.31815
   A91        1.91678   0.00001  -0.00010   0.00983   0.00966   1.92644
   A92        1.84541   0.00001  -0.00003   0.01552   0.01531   1.86072
   A93        2.60775   0.00000  -0.00007   0.00848   0.00832   2.61607
   A94        2.55079   0.00000   0.00008   0.00347   0.00347   2.55425
   A95        1.91193   0.00001   0.00009  -0.00180  -0.00172   1.91021
   A96        1.99034   0.00001   0.00011   0.00299   0.00309   1.99342
   A97        2.36591   0.00000   0.00010   0.00568   0.00576   2.37167
   A98        2.31981   0.00000   0.00015   0.00816   0.00831   2.32812
   A99        1.66131   0.00000   0.00011   0.00604   0.00615   1.66746
   A100       1.56773   0.00000   0.00011   0.01026   0.01045   1.57818
   A101       0.89318   0.00000   0.00002   0.00211   0.00209   0.89526
   A102       1.06262   0.00000   0.00002   0.00201   0.00200   1.06462
   A103       0.93110   0.00000   0.00003   0.00146   0.00148   0.93257
   A104       1.08994   0.00000   0.00005  -0.00374  -0.00369   1.08625
   A105       1.48908   0.00000   0.00002   0.00166   0.00165   1.49073
   A106       2.41609   0.00001  -0.00018   0.02357   0.02335   2.43944
   A107       2.30685   0.00000  -0.00010   0.01853   0.01844   2.32529
   A108       1.87698   0.00001  -0.00007   0.01573   0.01568   1.89266
   A109       1.71130   0.00000  -0.00001   0.01888   0.01886   1.73016
   A110       2.45045  -0.00001   0.00002   0.00731   0.00728   2.45773
   A111       2.28902   0.00000   0.00013   0.00232   0.00242   2.29143
   A112       0.71381   0.00000  -0.00001   0.00048   0.00049   0.71429
   A113       1.00528   0.00000   0.00000   0.00051   0.00052   1.00580
   A114       0.69534   0.00000   0.00000   0.00014   0.00020   0.69553
   A115       0.98284   0.00000   0.00000   0.00022   0.00018   0.98302
   A116       1.80603   0.00001   0.00005   0.00155   0.00165   1.80768
   A117       1.42446   0.00001   0.00004   0.00091   0.00101   1.42547
   A118       1.19196   0.00001   0.00006   0.00108   0.00116   1.19312
   A119       0.91947   0.00001   0.00005   0.00401   0.00404   0.92351
   A120       1.24936   0.00000   0.00000   0.00177   0.00183   1.25119
   A121       1.95255  -0.00002   0.00009  -0.02256  -0.02250   1.93004
   A122       1.98485  -0.00001   0.00009  -0.01369  -0.01364   1.97122
   A123       2.33204  -0.00001   0.00004  -0.00338  -0.00348   2.32856
   A124       2.23997  -0.00001   0.00001  -0.00381  -0.00364   2.23633
   A125       1.62889  -0.00001   0.00007  -0.00746  -0.00732   1.62157
   A126       1.49810   0.00000   0.00002  -0.00353  -0.00345   1.49465
   A127       0.65593   0.00000   0.00001  -0.00006  -0.00006   0.65587
   A128       0.66064   0.00000   0.00000  -0.00076  -0.00083   0.65980
   A129       2.16964   0.00001   0.00006   0.00417   0.00427   2.17391
   A130       1.79659   0.00001   0.00005   0.00319   0.00328   1.79987
   A131       1.50402   0.00001   0.00007   0.00537   0.00544   1.50945
   A132       1.21232   0.00001   0.00007   0.00778   0.00782   1.22014
   A133       1.64260   0.00000   0.00000   0.00170   0.00174   1.64433
   A134       1.79846  -0.00001   0.00001  -0.02812  -0.02814   1.77032
   A135       1.98541   0.00000   0.00001  -0.02143  -0.02143   1.96398
   A136       2.41182  -0.00002  -0.00002  -0.01736  -0.01752   2.39430
   A137       2.48159  -0.00001  -0.00004  -0.01542  -0.01548   2.46611
   A138       1.73793   0.00000  -0.00001  -0.01222  -0.01217   1.72575
   A139       1.70598   0.00000  -0.00006  -0.00736  -0.00736   1.69862
   A140       0.70460   0.00000  -0.00001  -0.00039  -0.00038   0.70422
   A141       0.83294   0.00000   0.00000  -0.00194  -0.00200   0.83094
   A142       2.49802   0.00001   0.00002  -0.00107  -0.00109   2.49692
   A143       2.11777   0.00001   0.00002  -0.00131  -0.00131   2.11647
   A144       1.90092   0.00001   0.00005   0.00294   0.00293   1.90385
   A145       1.61725   0.00000   0.00005   0.00639   0.00639   1.62363
   A146       1.83597   0.00000  -0.00003  -0.00376  -0.00378   1.83219
   A147       1.37256  -0.00001   0.00000  -0.02863  -0.02864   1.34392
   A148       1.59858   0.00000  -0.00003  -0.02371  -0.02373   1.57485
   A149       2.02884  -0.00001  -0.00004  -0.02214  -0.02219   2.00666
   A150       2.20136  -0.00001  -0.00008  -0.02432  -0.02436   2.17700
   A151       1.44009   0.00000  -0.00007  -0.01485  -0.01488   1.42521
   A152       1.50727   0.00000  -0.00014  -0.01075  -0.01085   1.49642
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   A154       0.76705   0.00000   0.00005  -0.00336  -0.00336   0.76370
   A155       2.80930   0.00001   0.00004   0.00073   0.00060   2.80990
   A156       2.42657   0.00001   0.00004   0.00015   0.00011   2.42668
   A157       2.15879   0.00000   0.00009   0.00587   0.00588   2.16467
   A158       1.86592   0.00000   0.00009   0.00820   0.00823   1.87415
   A159       2.14661   0.00000  -0.00005  -0.00406  -0.00413   2.14247
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   A162       1.94539  -0.00001  -0.00012  -0.02557  -0.02572   1.91966
   A163       2.20150   0.00000  -0.00016  -0.02705  -0.02730   2.17420
   A164       1.51099   0.00001  -0.00018  -0.01499  -0.01516   1.49583
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   A166       2.15982   0.00001   0.00011   0.01051   0.01065   2.17047
   A167       1.86130   0.00001   0.00008   0.00932   0.00945   1.87074
   A168       1.47648   0.00000   0.00009   0.01153   0.01164   1.48812
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   A277       1.90716  -0.00001   0.00000   0.00124   0.00133   1.90849
   A278       1.80077   0.00003  -0.00008  -0.01454  -0.01460   1.78617
   A279       1.75613  -0.00002   0.00006   0.01126   0.01133   1.76745
   A280       2.18962   0.00002   0.00000  -0.00239  -0.00234   2.18727
   A281       2.13067   0.00000   0.00001   0.00106   0.00112   2.13179
   A282       1.96283  -0.00001  -0.00001   0.00138   0.00126   1.96408
   A283       2.12279   0.00000   0.00003  -0.00020  -0.00013   2.12267
   A284       2.11581   0.00001   0.00003   0.00035   0.00036   2.11617
   A285       2.04189  -0.00001  -0.00006   0.00016   0.00006   2.04195
   A286       2.69477   0.00002   0.00003  -0.01780  -0.01777   2.67700
   A287       1.66470  -0.00001  -0.00002   0.01549   0.01547   1.68016
   A288       1.92618   0.00000  -0.00004  -0.00140  -0.00153   1.92464
   A289       1.91553   0.00001  -0.00002  -0.00232  -0.00229   1.91323
   A290       1.91234   0.00000   0.00002   0.00272   0.00274   1.91508
   A291       1.89101   0.00000   0.00000  -0.00197  -0.00195   1.88906
   A292       1.91267   0.00000   0.00001   0.00238   0.00240   1.91508
   A293       1.90589   0.00000   0.00004   0.00056   0.00059   1.90648
   A294       1.35582  -0.00001   0.00010   0.00499   0.00511   1.36093
   A295       1.14995   0.00001  -0.00008  -0.00510  -0.00519   1.14476
   A296       1.93214   0.00000  -0.00002  -0.00089  -0.00090   1.93124
   A297       1.90694  -0.00002   0.00001   0.00144   0.00142   1.90837
   A298       1.90225   0.00001   0.00001  -0.00013  -0.00014   1.90211
   A299       1.90970   0.00001   0.00001   0.00078   0.00079   1.91049
   A300       1.89778   0.00000   0.00000  -0.00098  -0.00098   1.89681
   A301       1.91496   0.00000  -0.00001  -0.00023  -0.00021   1.91474
   A302       1.71416  -0.00004  -0.00017  -0.01054  -0.01065   1.70350
   A303       1.77351   0.00001   0.00006   0.01337   0.01344   1.78695
   A304       2.19181  -0.00005  -0.00004  -0.00347  -0.00353   2.18828
   A305       2.13002   0.00001   0.00002   0.00150   0.00156   2.13159
   A306       1.96107   0.00004   0.00002   0.00197   0.00197   1.96304
   A307       2.12335   0.00004   0.00002  -0.00258  -0.00257   2.12079
   A308       2.12253  -0.00002   0.00001   0.00078   0.00070   2.12323
   A309       2.03663  -0.00002  -0.00002   0.00237   0.00232   2.03895
   A310       1.32412   0.00001   0.00011  -0.04714  -0.04636   1.27776
   A311       3.03234   0.00000  -0.00005   0.04619   0.04577   3.07810
   A312       1.90848   0.00001   0.00006   0.00478   0.00416   1.91264
   A313       1.93093  -0.00001   0.00001   0.00839   0.00487   1.93580
   A314       1.90181   0.00003   0.00002  -0.00455  -0.00490   1.89691
   A315       1.91206  -0.00001  -0.00008   0.00156   0.00323   1.91529
   A316       1.91121   0.00001   0.00005  -0.00120  -0.00018   1.91104
   A317       1.89920  -0.00002  -0.00005  -0.00915  -0.00737   1.89184
   A318       1.73109  -0.00001   0.00005   0.01068   0.01072   1.74182
   A319       1.91374  -0.00001  -0.00002   0.00052   0.00060   1.91434
   A320       1.91484   0.00002   0.00005  -0.00630  -0.00619   1.90865
   A321       1.92415  -0.00001  -0.00003   0.00121   0.00114   1.92529
   A322       1.90571  -0.00001  -0.00004  -0.00083  -0.00093   1.90477
   A323       1.91069   0.00001   0.00003   0.00270   0.00271   1.91340
   A324       1.89451   0.00001   0.00001   0.00271   0.00266   1.89717
   A325       2.93384  -0.00001   0.00002   0.00842   0.00842   2.94226
   A326       3.35353   0.00000  -0.00001   0.00412   0.00379   3.35732
   A327       3.07209   0.00000  -0.00001   0.00487   0.00466   3.07675
   A328       3.19411   0.00000  -0.00006  -0.02369  -0.02375   3.17036
   A329       3.26101   0.00000   0.00022  -0.00299  -0.00277   3.25824
   A330       3.26552   0.00000   0.00011   0.00577   0.00590   3.27142
   A331       3.64178   0.00001   0.00008   0.01338   0.01344   3.65521
   A332       3.21181   0.00000  -0.00013   0.00128   0.00118   3.21299
   A333       3.00004   0.00000  -0.00012  -0.02684  -0.02713   2.97291
   A334       2.93518   0.00000  -0.00013  -0.03109  -0.03139   2.90379
   A335       3.22823   0.00001   0.00014  -0.00746  -0.00738   3.22085
   A336       3.07885   0.00000  -0.00003   0.00236   0.00234   3.08119
   A337       3.10179   0.00001  -0.00003  -0.00392  -0.00395   3.09784
   A338       3.03818   0.00001  -0.00006   0.00845   0.00842   3.04660
    D1        2.75839   0.00001   0.00007   0.00570   0.00575   2.76414
    D2       -1.36183   0.00000   0.00002   0.00318   0.00315  -1.35868
    D3        2.78228   0.00000  -0.00013   0.01177   0.01161   2.79389
    D4       -1.33794   0.00000  -0.00018   0.00925   0.00901  -1.32893
    D5        1.66400   0.00000   0.00007   0.00778   0.00793   1.67193
    D6       -2.45622   0.00000   0.00002   0.00526   0.00532  -2.45089
    D7        1.84587   0.00000   0.00009   0.01171   0.01181   1.85767
    D8       -2.27435   0.00000   0.00003   0.00919   0.00921  -2.26515
    D9        0.32446   0.00000   0.00004   0.01958   0.01966   0.34412
   D10        2.48743   0.00000  -0.00001   0.01706   0.01706   2.50449
   D11        0.03944   0.00000   0.00001   0.01339   0.01338   0.05282
   D12        2.20240   0.00000  -0.00004   0.01087   0.01078   2.21318
   D13       -0.42953   0.00000   0.00000   0.01049   0.01043  -0.41910
   D14        1.73344   0.00000  -0.00005   0.00797   0.00783   1.74126
   D15       -0.54995   0.00000  -0.00005   0.01087   0.01078  -0.53917
   D16        1.61302   0.00000  -0.00010   0.00835   0.00817   1.62119
   D17        0.21885   0.00000   0.00000   0.01049   0.01047   0.22933
   D18        2.38182   0.00000  -0.00006   0.00797   0.00787   2.38969
   D19        0.15399   0.00000  -0.00001   0.00624   0.00622   0.16021
   D20        2.31696   0.00000  -0.00007   0.00372   0.00362   2.32057
   D21        2.40640   0.00001   0.00011   0.02289   0.02300   2.42940
   D22       -1.71382   0.00001   0.00006   0.02037   0.02040  -1.69342
   D23        2.16153   0.00000   0.00012   0.02645   0.02659   2.18813
   D24       -1.95869   0.00000   0.00006   0.02392   0.02399  -1.93470
   D25        1.72009   0.00000   0.00012   0.02685   0.02702   1.74711
   D26       -2.40013   0.00000   0.00007   0.02432   0.02442  -2.37571
   D27        1.41305   0.00001   0.00013   0.02824   0.02839   1.44143
   D28       -2.70717   0.00000   0.00008   0.02572   0.02578  -2.68139
   D29        2.37045  -0.00001   0.00009   0.03291   0.03298   2.40343
   D30       -1.74977  -0.00001   0.00004   0.03039   0.03038  -1.71940
   D31       -1.77896   0.00000   0.00008   0.03964   0.03969  -1.73928
   D32        0.38400   0.00000   0.00003   0.03712   0.03708   0.42108
   D33       -2.11702   0.00000   0.00009   0.03368   0.03375  -2.08327
   D34        0.04594   0.00000   0.00003   0.03116   0.03115   0.07709
   D35       -2.49631   0.00001   0.00009   0.03750   0.03769  -2.45862
   D36       -0.33334   0.00001   0.00003   0.03498   0.03509  -0.29826
   D37       -2.78119   0.00000   0.00011   0.03733   0.03761  -2.74358
   D38       -0.61822   0.00000   0.00006   0.03481   0.03500  -0.58322
   D39       -2.12619  -0.00001   0.00012   0.02113   0.02121  -2.10498
   D40        0.03677  -0.00001   0.00007   0.01860   0.01861   0.05538
   D41       -2.37388  -0.00001   0.00024   0.01631   0.01654  -2.35734
   D42       -0.21092  -0.00001   0.00019   0.01379   0.01393  -0.19698
   D43        1.26049   0.00001   0.00030  -0.01467  -0.01441   1.24608
   D44       -1.92267   0.00000   0.00019   0.00038   0.00053  -1.92215
   D45        2.45706   0.00000   0.00033  -0.00847  -0.00807   2.44898
   D46       -0.72611  -0.00001   0.00022   0.00658   0.00686  -0.71925
   D47        2.94385   0.00000   0.00033  -0.00524  -0.00489   2.93896
   D48       -0.23931  -0.00001   0.00022   0.00980   0.01004  -0.22928
   D49        2.86131   0.00000   0.00026   0.00598   0.00613   2.86745
   D50       -0.32185   0.00000   0.00015   0.02102   0.02107  -0.30078
   D51        2.05281   0.00000   0.00020   0.00352   0.00375   2.05655
   D52       -1.13036  -0.00001   0.00009   0.01856   0.01868  -1.11168
   D53        1.16925   0.00000   0.00016  -0.00636  -0.00623   1.16302
   D54       -2.01392   0.00000   0.00005   0.00868   0.00870  -2.00522
   D55        1.02623   0.00000   0.00013  -0.00919  -0.00910   1.01713
   D56       -2.15693   0.00000   0.00002   0.00585   0.00583  -2.15110
   D57        2.02584   0.00000   0.00022  -0.00581  -0.00561   2.02023
   D58       -1.15732  -0.00001   0.00011   0.00923   0.00932  -1.14800
   D59        1.83215   0.00000   0.00023  -0.01094  -0.01071   1.82144
   D60       -1.35102   0.00000   0.00012   0.00410   0.00423  -1.34679
   D61       -2.27330   0.00001   0.00035   0.00319   0.00356  -2.26974
   D62        0.82673   0.00000   0.00024   0.01823   0.01849   0.84522
   D63       -2.41030   0.00000   0.00033   0.00246   0.00281  -2.40749
   D64        0.68972   0.00000   0.00022   0.01750   0.01774   0.70746
   D65       -2.81278   0.00000   0.00033   0.00415   0.00448  -2.80830
   D66        0.28724  -0.00001   0.00022   0.01920   0.01941   0.30665
   D67       -2.99145   0.00000   0.00035   0.00285   0.00315  -2.98830
   D68        0.10857   0.00000   0.00024   0.01789   0.01809   0.12666
   D69       -2.13552   0.00000   0.00030   0.00174   0.00208  -2.13345
   D70        0.96450  -0.00001   0.00019   0.01678   0.01701   0.98151
   D71       -0.16620  -0.00001   0.00044   0.00738   0.00780  -0.15840
   D72        2.93382  -0.00001   0.00033   0.02243   0.02273   2.95655
   D73       -0.55956   0.00000   0.00043   0.00678   0.00713  -0.55243
   D74        2.54046   0.00000   0.00031   0.02182   0.02206   2.56253
   D75       -0.74066   0.00001   0.00036   0.01845   0.01876  -0.72190
   D76        2.35936   0.00000   0.00025   0.03349   0.03369   2.39306
   D77       -1.07907   0.00000   0.00036   0.01705   0.01756  -1.06151
   D78        2.02095   0.00000   0.00025   0.03209   0.03249   2.05344
   D79       -0.83363  -0.00001   0.00047  -0.00295  -0.00249  -0.83612
   D80        2.26639  -0.00001   0.00036   0.01209   0.01245   2.27884
   D81       -1.14035   0.00000   0.00050  -0.00458  -0.00407  -1.14442
   D82        1.95967   0.00000   0.00039   0.01046   0.01086   1.97054
   D83       -1.53479   0.00000   0.00006  -0.00871  -0.00866  -1.54345
   D84       -2.60993   0.00000   0.00013  -0.00355  -0.00344  -2.61338
   D85       -2.94806   0.00000  -0.00003  -0.00079  -0.00087  -2.94894
   D86        0.73433   0.00000   0.00008   0.00505   0.00507   0.73940
   D87        0.31152   0.00000   0.00006   0.00377   0.00376   0.31528
   D88       -0.06325   0.00000   0.00005   0.00547   0.00549  -0.05776
   D89       -0.39941   0.00000   0.00002   0.00275   0.00269  -0.39671
   D90        0.18407   0.00000   0.00005  -0.00031  -0.00036   0.18371
   D91       -0.05329   0.00000   0.00005  -0.00287  -0.00284  -0.05614
   D92        2.40442   0.00001   0.00011   0.00800   0.00807   2.41250
   D93        2.05506   0.00001   0.00011   0.00786   0.00794   2.06300
   D94        1.66251   0.00000   0.00011   0.01007   0.01008   1.67260
   D95        1.37475   0.00000   0.00012   0.01046   0.01048   1.38523
   D96        2.05634   0.00000   0.00009   0.00805   0.00813   2.06448
   D97       -1.92539   0.00000   0.00015   0.02791   0.02832  -1.89707
   D98       -2.44163   0.00001   0.00023   0.01914   0.01944  -2.42219
   D99       -2.66615   0.00001   0.00016   0.02300   0.02322  -2.64293
   D100      -2.99208   0.00000   0.00015   0.01753   0.01801  -2.97408
   D101      -2.88645  -0.00001   0.00043   0.00382   0.00420  -2.88226
   D102       2.86220   0.00001   0.00037   0.00092   0.00129   2.86349
   D103      -2.89975  -0.00001  -0.00008  -0.01371  -0.01383  -2.91358
   D104       1.19754   0.00000  -0.00008  -0.01494  -0.01507   1.18247
   D105       2.81238   0.00000  -0.00008  -0.01916  -0.01927   2.79311
   D106       0.62648   0.00000  -0.00009  -0.02039  -0.02051   0.60597
   D107       2.31614   0.00000  -0.00002  -0.02078  -0.02070   2.29544
   D108       0.13024   0.00000  -0.00003  -0.02201  -0.02194   0.10830
   D109       1.75905   0.00000   0.00008  -0.01546  -0.01534   1.74371
   D110      -0.42686   0.00001   0.00007  -0.01670  -0.01658  -0.44343
   D111       2.59368   0.00000  -0.00008  -0.01188  -0.01201   2.58167
   D112       0.40778   0.00000  -0.00008  -0.01312  -0.01325   0.39453
   D113       2.25677   0.00000  -0.00008  -0.01249  -0.01258   2.24419
   D114       0.07087   0.00000  -0.00008  -0.01373  -0.01382   0.05705
   D115      -1.61167  -0.00001  -0.00001  -0.00075  -0.00077  -1.61244
   D116       2.48561  -0.00001  -0.00001  -0.00199  -0.00201   2.48360
   D117      -1.77345  -0.00001   0.00006  -0.00190  -0.00185  -1.77530
   D118       2.32383   0.00000   0.00005  -0.00313  -0.00309   2.32075
   D119      -2.73501   0.00000   0.00000   0.00039   0.00040  -2.73461
   D120       1.36227   0.00000  -0.00001  -0.00084  -0.00084   1.36143
   D121      -2.69857   0.00000  -0.00001   0.00250   0.00254  -2.69603
   D122       1.39872   0.00000  -0.00001   0.00127   0.00130   1.40002
   D123       1.32826   0.00000  -0.00011  -0.01508  -0.01517   1.31310
   D124      -0.85764   0.00000  -0.00012  -0.01631  -0.01640  -0.87404
   D125       1.29765   0.00000  -0.00009  -0.01606  -0.01614   1.28151
   D126      -0.88825   0.00000  -0.00009  -0.01729  -0.01738  -0.90563
   D127       1.65285   0.00001  -0.00009  -0.01834  -0.01841   1.63443
   D128      -0.53306   0.00001  -0.00010  -0.01957  -0.01965  -0.55271
   D129       1.77851   0.00000  -0.00012  -0.01606  -0.01615   1.76236
   D130      -0.40739   0.00000  -0.00013  -0.01730  -0.01739  -0.42478
   D131       0.89704   0.00001  -0.00006  -0.01590  -0.01597   0.88107
   D132      -1.28886   0.00001  -0.00007  -0.01713  -0.01720  -1.30607
   D133      -0.94780   0.00001  -0.00022  -0.02084  -0.02103  -0.96882
   D134      -3.13370   0.00001  -0.00023  -0.02207  -0.02226   3.12722
   D135      -0.52002   0.00000  -0.00019  -0.02385  -0.02398  -0.54400
   D136      -2.70592   0.00000  -0.00020  -0.02509  -0.02522  -2.73114
   D137      -0.20879  -0.00002  -0.00016  -0.03817  -0.03836  -0.24715
   D138      -2.39469  -0.00001  -0.00016  -0.03941  -0.03960  -2.43429
   D139       0.19640  -0.00001  -0.00016  -0.03605  -0.03638   0.16002
   D140      -1.98950  -0.00001  -0.00017  -0.03729  -0.03762  -2.02712
   D141      -0.31069   0.00001  -0.00020  -0.01488  -0.01511  -0.32580
   D142      -2.49659   0.00001  -0.00021  -0.01612  -0.01635  -2.51295
   D143      -0.05402   0.00000  -0.00024  -0.01315  -0.01340  -0.06741
   D144      -2.23992   0.00000  -0.00024  -0.01438  -0.01464  -2.25456
   D145      -2.47199  -0.00001  -0.00009   0.00101   0.00102  -2.47097
   D146      -2.72332   0.00000  -0.00006  -0.00373  -0.00373  -2.72705
   D147      -2.40958   0.00000   0.00001  -0.00458  -0.00448  -2.41406
   D148       3.00637   0.00000  -0.00008  -0.00728  -0.00738   2.99899
   D149       2.62479   0.00001  -0.00009  -0.01186  -0.01199   2.61280
   D150       1.51783  -0.00001  -0.00008   0.00167   0.00161   1.51944
   D151       2.61889   0.00000  -0.00007   0.00183   0.00185   2.62074
   D152       2.99315   0.00000  -0.00007   0.00375   0.00368   2.99683
   D153       1.18724  -0.00001  -0.00027  -0.02176  -0.02193   1.16531
   D154       1.24794   0.00000  -0.00018  -0.01604  -0.01619   1.23175
   D155       1.63855   0.00000  -0.00016  -0.01542  -0.01556   1.62299
   D156       1.71499   0.00000  -0.00016  -0.00970  -0.00986   1.70512
   D157       0.89726   0.00000  -0.00014  -0.01278  -0.01289   0.88437
   D158      -1.00105   0.00001  -0.00031  -0.00613  -0.00659  -1.00764
   D159      -0.67496   0.00000  -0.00027  -0.00759  -0.00791  -0.68288
   D160      -0.70338   0.00000  -0.00020  -0.01678  -0.01700  -0.72037
   D161      -0.38960   0.00000  -0.00019  -0.01605  -0.01650  -0.40610
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   D163      -0.01523   0.00000  -0.00027  -0.00533  -0.00561  -0.02085
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   D380      -2.78302   0.00002  -0.00011   0.00721   0.00701  -2.77601
   D381       0.87498   0.00002   0.00018   0.11037   0.11058   0.98556
   D382      -2.22416   0.00001  -0.00008   0.00551   0.00498  -2.21918
   D383       1.43385   0.00001   0.00020   0.10868   0.10854   1.54239
   D384      -1.97966   0.00001  -0.00017  -0.01010  -0.01048  -1.99014
   D385       1.67835   0.00001   0.00012   0.09306   0.09308   1.77143
   D386      -1.64644   0.00000  -0.00021  -0.01425  -0.01458  -1.66101
   D387       2.01157   0.00000   0.00008   0.08892   0.08899   2.10056
   D388      -1.69754   0.00000   0.00000   0.00275   0.00198  -1.69556
   D389       1.96047   0.00000   0.00029   0.10591   0.10554   2.06601
   D390      -1.10419  -0.00001  -0.00015  -0.03156  -0.03087  -1.13506
   D391       2.55381  -0.00001   0.00013   0.07160   0.07270   2.62651
   D392       1.78015   0.00000  -0.00017  -0.01005  -0.01034   1.76981
   D393      -0.84503   0.00000   0.00012   0.09312   0.09323  -0.75180
   D394       2.07961   0.00000  -0.00019  -0.00840  -0.00867   2.07094
   D395      -0.54557   0.00000   0.00010   0.09477   0.09490  -0.45068
   D396       2.02342   0.00000  -0.00022  -0.00505  -0.00532   2.01810
   D397      -0.60176   0.00000   0.00007   0.09811   0.09825  -0.50351
   D398       2.21928   0.00001  -0.00022  -0.00595  -0.00615   2.21313
   D399      -0.40591   0.00001   0.00007   0.09722   0.09742  -0.30849
   D400       2.48129   0.00000  -0.00017  -0.01034  -0.01058   2.47071
   D401      -0.14389   0.00000   0.00012   0.09283   0.09299  -0.05090
   D402      -1.52690  -0.00001   0.00001  -0.03098  -0.03100  -1.55791
   D403       2.13110  -0.00001   0.00030   0.07218   0.07256   2.20366
   D404      -2.62639  -0.00002  -0.00003  -0.02896  -0.02900  -2.65539
   D405       1.03161  -0.00002   0.00025   0.07420   0.07457   1.10618
   D406      -2.98996  -0.00001   0.00000  -0.02569  -0.02570  -3.01566
   D407       0.66805  -0.00001   0.00029   0.07748   0.07787   0.74591
   D408       1.89806   0.00002  -0.00013   0.02632   0.02627   1.92433
   D409       2.39013   0.00002  -0.00023   0.02645   0.02628   2.41641
   D410       2.62191   0.00001  -0.00022   0.02831   0.02812   2.65003
   D411       2.85513   0.00000  -0.00008   0.02725   0.02721   2.88234
   D412       2.80838   0.00001  -0.00044   0.02366   0.02327   2.83165
   D413      -2.97721   0.00000  -0.00038   0.03044   0.03011  -2.94710
   D414      -0.76784   0.00001  -0.00011   0.02265   0.02258  -0.74526
   D415      -0.38660   0.00001  -0.00008   0.02390   0.02386  -0.36273
   D416      -0.07795   0.00001  -0.00015   0.02150   0.02139  -0.05656
   D417       0.23109   0.00001  -0.00013   0.02237   0.02231   0.25340
   D418      -0.24961   0.00000   0.00001   0.02781   0.02789  -0.22172
   D419       0.06434   0.00000   0.00004   0.02701   0.02705   0.09139
   D420      -2.57776   0.00000  -0.00017   0.02150   0.02131  -2.55645
   D421      -2.19458   0.00000  -0.00016   0.02214   0.02194  -2.17264
   D422      -1.95290   0.00000  -0.00018   0.02397   0.02375  -1.92915
   D423      -1.63822   0.00000  -0.00016   0.02081   0.02068  -1.61754
   D424      -1.97754   0.00001  -0.00011   0.01866   0.01852  -1.95902
   D425       1.33988  -0.00001  -0.00006  -0.00545  -0.00555   1.33432
   D426       2.48712  -0.00002  -0.00006  -0.00310  -0.00316   2.48396
   D427       2.95525   0.00000  -0.00005   0.00512   0.00452   2.95977
   D428      -3.07072  -0.00007   0.00018   0.00576   0.00594  -3.06478
   D429       0.03158  -0.00007   0.00000   0.00982   0.00981   0.04139
   D430       0.04150   0.00000   0.00032   0.01163   0.01197   0.05347
   D431      -3.13939   0.00000   0.00014   0.01569   0.01584  -3.12354
   D432      -0.08452   0.00001   0.00069  -0.00716  -0.00650  -0.09102
   D433       2.01522   0.00000   0.00051  -0.00690  -0.00644   2.00878
   D434      -2.18167   0.00002   0.00062  -0.00717  -0.00657  -2.18824
   D435       3.09433   0.00001   0.00085  -0.01090  -0.01006   3.08427
   D436      -1.08911   0.00000   0.00067  -0.01063  -0.01000  -1.09912
   D437       0.99718   0.00002   0.00078  -0.01091  -0.01013   0.98705
   D438      -2.36876   0.00000   0.00020  -0.01042  -0.01023  -2.37898
   D439      -0.27806  -0.00001   0.00018  -0.01175  -0.01156  -0.28961
   D440       1.82900   0.00000   0.00019  -0.01397  -0.01377   1.81523
   D441       0.73553   0.00001   0.00004  -0.00671  -0.00669   0.72884
   D442       2.82623   0.00000   0.00002  -0.00803  -0.00802   2.81821
   D443      -1.34990   0.00000   0.00002  -0.01025  -0.01023  -1.36013
   D444      -0.00065   0.00001  -0.00012  -0.00421  -0.00432  -0.00498
   D445       3.11374   0.00001   0.00001  -0.00327  -0.00327   3.11046
   D446      -3.12083   0.00000  -0.00013  -0.00687  -0.00700  -3.12783
   D447      -0.00645   0.00001   0.00000  -0.00593  -0.00595  -0.01239
   D448       2.42532   0.00001  -0.00011   0.00252   0.00240   2.42772
   D449      -1.77348   0.00000  -0.00013   0.00202   0.00187  -1.77161
   D450       0.33458   0.00000  -0.00015   0.00102   0.00088   0.33546
   D451      -0.69038   0.00000  -0.00024   0.00160   0.00138  -0.68901
   D452       1.39401   0.00000  -0.00026   0.00110   0.00084   1.39485
   D453      -2.78112   0.00000  -0.00027   0.00010  -0.00015  -2.78127
   D454       2.06099   0.00000  -0.00003  -0.00401  -0.00402   2.05697
   D455      -2.13767   0.00000  -0.00003  -0.00590  -0.00591  -2.14358
   D456      -0.04430   0.00000  -0.00004  -0.00568  -0.00571  -0.05001
   D457      -1.10648   0.00000   0.00010  -0.00310  -0.00300  -1.10947
   D458       0.97806   0.00001   0.00010  -0.00499  -0.00489   0.97316
   D459       3.07143   0.00000   0.00009  -0.00477  -0.00469   3.06673
   D460      -3.09047   0.00002  -0.00007  -0.00997  -0.01004  -3.10051
   D461      -0.03000   0.00002  -0.00008  -0.00540  -0.00548  -0.03547
   D462       0.06424   0.00001  -0.00006  -0.01387  -0.01396   0.05028
   D463       3.12471   0.00001  -0.00007  -0.00930  -0.00940   3.11532
   D464       1.94314  -0.00002  -0.00004   0.02534   0.02529   1.96843
   D465      -2.25716  -0.00001  -0.00008   0.02058   0.02051  -2.23665
   D466      -0.16453  -0.00001  -0.00003   0.02152   0.02151  -0.14302
   D467      -1.12061  -0.00002  -0.00003   0.02095   0.02089  -1.09972
   D468       0.96227  -0.00002  -0.00007   0.01619   0.01612   0.97839
   D469       3.05490  -0.00001  -0.00003   0.01713   0.01712   3.07202
   D470      -1.65080   0.00001  -0.00014  -0.01849  -0.01864  -1.66943
   D471       0.45348   0.00001  -0.00014  -0.01716  -0.01731   0.43617
   D472       2.54583   0.00001  -0.00014  -0.01666  -0.01680   2.52903
   D473       1.41329   0.00001  -0.00015  -0.01415  -0.01428   1.39900
   D474      -2.76562   0.00001  -0.00015  -0.01282  -0.01295  -2.77858
   D475      -0.67327   0.00001  -0.00015  -0.01231  -0.01245  -0.68571
   D476      -0.00032   0.00003   0.00000   0.01256   0.01265   0.01232
   D477      -3.10123   0.00004   0.00028  -0.00490  -0.00467  -3.10591
   D478       3.11615   0.00001   0.00003   0.01270   0.01281   3.12896
   D479       0.01525   0.00002   0.00031  -0.00475  -0.00451   0.01073
   D480      -0.35535   0.00002   0.00030  -0.06003  -0.05930  -0.41466
   D481       1.75208   0.00000   0.00024  -0.04969  -0.04943   1.70264
   D482      -2.44381  -0.00001   0.00020  -0.05869  -0.05861  -2.50243
   D483       2.74746   0.00001   0.00004  -0.04342  -0.04281   2.70465
   D484      -1.42829  -0.00001  -0.00002  -0.03308  -0.03294  -1.46123
   D485       0.65900  -0.00002  -0.00007  -0.04208  -0.04212   0.61688
   D486       0.00462  -0.00001  -0.00033   0.00339   0.00317   0.00779
   D487       2.09747  -0.00002  -0.00036  -0.00120  -0.00142   2.09605
   D488      -2.10020  -0.00001  -0.00034  -0.00106  -0.00131  -2.10151
   D489      -3.09822   0.00000  -0.00006  -0.01313  -0.01327  -3.11149
   D490      -1.00536  -0.00001  -0.00010  -0.01772  -0.01786  -1.02322
   D491       1.08015   0.00000  -0.00007  -0.01757  -0.01774   1.06241
         Item               Value     Threshold  Converged?
 Maximum Force            0.000090     0.000450     YES
 RMS     Force            0.000011     0.000300     YES
 Maximum Displacement     0.158562     0.001800     NO 
 RMS     Displacement     0.018175     0.001200     NO 
 Predicted change in Energy=-1.660371D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:41:19 2016, MaxMem=  2952790016 cpu:         6.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.825935   -0.601074    1.675847
      2          6           0       -2.082474    1.132883   -1.332779
      3          8           0       -2.655506    0.151982   -1.838769
      4          7           0       -0.782266    1.168212   -0.929847
      5          1           0       -2.611233    2.087252   -1.140837
      6          6           0       -0.220121    2.340325   -0.256981
      7          1           0       -0.966951    3.146290   -0.238558
      8          1           0        0.065222    2.078486    0.776887
      9          1           0        0.678301    2.687816   -0.792899
     10          6           0        0.111835    0.020664   -1.108065
     11          1           0        0.701457   -0.128382   -0.189960
     12          1           0       -0.484853   -0.879271   -1.306937
     13          1           0        0.802134    0.198341   -1.949146
     14          6           0       -1.985018   -4.014673    2.602691
     15          8           0       -2.090410   -3.861422    3.831566
     16          7           0       -2.938717   -3.702621    1.683939
     17          1           0       -1.063379   -4.416293    2.136357
     18          6           0       -4.232885   -3.139540    2.076655
     19          1           0       -4.508582   -2.347623    1.361793
     20          1           0       -5.015170   -3.916816    2.062601
     21          1           0       -4.155954   -2.715706    3.086372
     22          6           0       -2.712411   -3.882116    0.249519
     23          1           0       -3.427833   -4.612690   -0.162504
     24          1           0       -2.857531   -2.920124   -0.268876
     25          1           0       -1.686194   -4.236239    0.079281
     26          6           0        1.536255    0.380736    2.617339
     27          8           0        1.334028    1.398354    3.301499
     28          7           0        1.179298   -0.884063    2.965293
     29          1           0        2.033854    0.424610    1.628489
     30          6           0        1.502800   -2.031963    2.119518
     31          1           0        2.237197   -2.682762    2.623044
     32          1           0        0.591625   -2.621422    1.931739
     33          1           0        1.912047   -1.683001    1.161282
     34          6           0        0.536650   -1.165682    4.251055
     35          1           0        1.284209   -1.481377    4.998946
     36          1           0        0.022933   -0.263342    4.605937
     37          1           0       -0.191823   -1.978420    4.116450
     38          6           0       -4.623276    1.147121    2.905955
     39          8           0       -4.893934    1.774457    1.869130
     40          7           0       -3.524236    1.344148    3.680535
     41          1           0       -5.267508    0.328443    3.284862
     42          6           0       -2.528649    2.368687    3.351590
     43          1           0       -2.572011    2.592694    2.277303
     44          1           0       -2.705358    3.289811    3.931511
     45          1           0       -1.530792    1.984613    3.606198
     46          6           0       -3.262913    0.525506    4.865815
     47          1           0       -4.061795   -0.219500    4.984524
     48          1           0       -2.297516    0.004604    4.745021
     49          1           0       -3.211840    1.160217    5.765516
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.481990   0.000000
     3  O    3.688876   1.243607   0.000000
     4  N    3.318020   1.361669   2.316871   0.000000
     5  H    3.972090   1.107812   2.057751   2.057735   0.000000
     6  C    3.868629   2.466498   3.636206   1.463764   2.561769
     7  H    4.294827   2.548631   3.791804   2.103517   2.153911
     8  H    3.400683   3.155544   4.237385   2.111818   3.292591
     9  H    4.814842   3.214213   4.317241   2.112157   3.361960
    10  C    3.448431   2.470327   2.865196   1.465620   3.418619
    11  H    3.176851   3.262989   3.750517   2.104762   4.097209
    12  H    3.282209   2.569401   2.461313   2.103054   3.653675
    13  H    4.548229   3.094227   3.459712   2.118949   3.984021
    14  C    3.540763   6.480336   6.126755   6.386527   7.186072
    15  O    3.917517   7.184261   6.969895   7.048369   7.770636
    16  N    3.295139   5.763318   5.229497   5.933563   6.450522
    17  H    3.917838   6.623203   6.261439   6.377093   7.445264
    18  C    3.521060   5.873850   5.352830   6.285106   6.348336
    19  H    3.216466   5.025996   4.463800   5.612320   5.434262
    20  H    4.616811   6.754908   6.110959   7.261524   7.217324
    21  H    3.448222   6.216096   5.893385   6.526607   6.582087
    22  C    3.685850   5.296292   4.542921   5.533731   6.129983
    23  H    4.694537   6.015908   5.109643   6.403645   6.820058
    24  H    3.197520   4.261393   3.455895   4.632288   5.088692
    25  H    3.972779   5.565826   4.886201   5.571670   6.506222
    26  C    3.626939   5.409654   6.122098   4.310242   5.851303
    27  O    4.077478   5.763636   6.625118   4.736661   5.981139
    28  N    3.282405   5.760265   6.233628   4.819925   6.329071
    29  H    3.994026   5.120050   5.838347   3.876668   5.657771
    30  C    3.650310   5.898202   6.142406   4.976070   6.672564
    31  H    4.662580   6.990511   7.202923   6.047330   7.773488
    32  H    3.160994   5.648247   5.696697   4.943438   6.470753
    33  H    3.925284   5.486870   5.764548   4.445397   6.322549
    34  C    3.540097   6.581977   7.000861   5.833382   7.040117
    35  H    4.635830   7.632802   8.058757   6.814780   8.099786
    36  H    3.481064   6.453723   6.991478   5.774305   6.744594
    37  H    3.244063   6.553539   6.787708   5.976205   7.072645
    38  C    3.520578   4.941938   5.232096   5.428368   4.616134
    39  O    3.884986   4.309077   4.625094   5.010750   3.790576
    40  N    3.269080   5.220789   5.713026   5.367027   4.963004
    41  H    3.911183   5.666937   5.753719   6.211793   5.453074
    42  C    3.481580   4.865141   5.645325   4.777205   4.501991
    43  H    3.334446   3.924715   4.786031   3.939308   3.455531
    44  H    4.582618   5.723030   6.568454   5.642009   5.213801
    45  H    3.240238   5.042152   5.854160   4.669316   4.869521
    46  C    3.675593   6.339157   6.742396   6.336906   6.240481
    47  H    4.011484   6.756846   6.976601   6.903683   6.704124
    48  H    3.163710   6.185379   6.595162   5.987828   6.251333
    49  H    4.663504   7.187629   7.690981   7.122554   6.994129
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098942   0.000000
     8  H    1.104022   1.799088   0.000000
     9  H    1.102326   1.795646   1.792032   0.000000
    10  C    2.493063   3.418970   2.791029   2.744797   0.000000
    11  H    2.635965   3.675517   2.491958   2.880113   1.101266
    12  H    3.396805   4.192731   3.659676   3.786987   1.097939
    13  H    2.914880   3.840075   3.392527   2.747677   1.102497
    14  C    7.188782   7.771007   6.683085   7.971616   5.869450
    15  O    7.660017   8.181449   7.018570   8.481979   6.657359
    16  N    6.904718   7.381832   6.577810   7.749531   5.564531
    17  H    7.217412   7.927306   6.730828   7.879236   5.620853
    18  C    7.181716   7.452396   6.884106   8.143229   6.245472
    19  H    6.556537   6.729588   6.391575   7.543348   5.749542
    20  H    8.217345   8.459958   7.962857   9.175547   7.200212
    21  H    7.227187   7.455729   6.792372   8.222944   6.579896
    22  C    6.722114   7.258330   6.597131   7.466430   5.005107
    23  H    7.657856   8.140240   7.606295   8.399710   5.906887
    24  H    5.884589   6.354258   5.884064   6.650241   4.262582
    25  H    6.746379   7.424289   6.590133   7.368451   4.771155
    26  C    3.896994   4.697923   2.904058   4.205762   4.004655
    27  O    3.995682   4.569660   2.906220   4.342441   4.778707
    28  N    4.768448   5.578063   3.847984   5.208966   4.307000
    29  H    3.507900   4.460744   2.708513   3.580886   3.368390
    30  C    5.266223   6.202781   4.556871   5.606986   4.070055
    31  H    6.290021   7.241076   5.549347   6.553010   5.074136
    32  H    5.483463   6.356560   4.868256   5.968181   4.056011
    33  H    4.769147   5.793983   4.208005   4.944189   3.360532
    34  C    5.760831   6.403948   4.776684   6.349094   5.505275
    35  H    6.670322   7.342648   5.655470   7.162037   6.397357
    36  H    5.521425   6.006213   4.488605   6.187591   5.721746
    37  H    6.146483   6.769754   5.260916   6.828806   5.602151
    38  C    5.551187   5.220475   5.232818   6.645449   6.308925
    39  O    5.165760   4.663204   5.087107   6.242630   6.082532
    40  N    5.235798   5.014650   4.674894   6.283182   6.156566
    41  H    6.486018   6.232940   6.147406   7.586002   6.951968
    42  C    4.283910   3.991582   3.666262   5.250063   5.689805
    43  H    3.466651   3.035168   3.077443   4.472104   5.027830
    44  H    4.961994   4.520191   4.369791   5.842225   6.634848
    45  H    4.094941   4.055806   3.249781   4.972590   5.364662
    46  C    6.228578   6.180176   5.496140   7.227019   6.879755
    47  H    6.984592   6.941699   6.325916   8.018704   7.388944
    48  H    5.898405   6.039590   5.062569   6.835472   6.329600
    49  H    6.827409   6.710657   6.038938   7.776861   7.719554
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794102   0.000000
    13  H    1.792100   1.797224   0.000000
    14  C    5.488105   5.231294   6.799774   0.000000
    15  O    6.156523   6.154288   7.633160   1.242870   0.000000
    16  N    5.434845   4.789373   6.512356   1.360523   2.314550
    17  H    5.187733   4.970059   6.439435   1.108235   2.058254
    18  C    6.209053   5.532202   7.259473   2.468902   2.861997
    19  H    5.871752   5.046640   6.756327   3.269137   3.773450
    20  H    7.218454   6.411259   8.177387   3.079463   3.418556
    21  H    6.404922   6.012540   7.644001   2.575698   2.476782
    22  C    5.092951   4.049895   5.816897   2.466595   3.635708
    23  H    6.095966   4.889712   6.650619   3.175790   4.278515
    24  H    4.523986   3.297310   5.093258   3.194561   4.276464
    25  H    4.758976   3.825449   5.474650   2.550683   3.792561
    26  C    2.972712   4.590473   4.628714   5.631980   5.711651
    27  O    3.862817   5.452851   5.412229   6.387899   6.298650
    28  N    3.279482   4.584907   5.046342   4.465994   4.506228
    29  H    2.321171   4.081754   3.790488   6.066930   6.342963
    30  C    3.098299   4.125537   4.692464   4.040974   4.380547
    31  H    4.098335   5.109490   5.591519   4.427359   4.645208
    32  H    3.275503   3.831830   4.801734   3.005065   3.512870
    33  H    2.389189   3.533160   3.800805   4.764606   5.281629
    34  C    4.563526   5.658337   6.354017   4.146404   3.787405
    35  H    5.393973   6.576950   7.164485   4.779903   4.291323
    36  H    4.845538   5.966514   6.617358   4.702908   4.244061
    37  H    4.771347   5.541400   6.520559   3.106982   2.689143
    38  C    6.290022   6.243499   7.342157   5.804868   5.688381
    39  O    6.258518   6.047286   7.036232   6.520270   6.593484
    40  N    5.916549   6.249505   7.191917   5.678723   5.401539
    41  H    6.921822   6.739212   8.015755   5.486597   5.286568
    42  C    5.404767   6.035578   6.625882   6.450090   6.263920
    43  H    4.920085   5.409024   5.914444   6.641365   6.656071
    44  H    6.346413   7.053596   7.512777   7.459231   7.178320
    45  H    4.884516   5.782276   6.284518   6.099572   5.877082
    46  C    6.457914   6.913312   7.941999   5.231441   4.657207
    47  H    7.033644   7.267206   8.479869   4.938569   4.298751
    48  H    5.776292   6.379120   7.379514   4.565283   3.977870
    49  H    7.241690   7.849558   8.749469   6.187733   5.496784
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056916   0.000000
    18  C    1.464977   3.417518   0.000000
    19  H    2.098636   4.092526   1.101894   0.000000
    20  H    2.121538   3.983914   1.102871   1.791684   0.000000
    21  H    2.102970   3.654934   1.097762   1.798334   1.796949
    22  C    1.463213   2.562188   2.490318   2.611140   2.931069
    23  H    2.115848   3.303630   2.798590   2.936329   2.820455
    24  H    2.105322   3.353006   2.727867   2.390148   3.329352
    25  H    2.104397   2.156821   3.417292   3.630093   3.888144
    26  C    6.129471   5.477311   6.779946   6.749844   7.854799
    27  O    6.847831   6.396501   7.285825   7.206309   8.372468
    28  N    5.152105   4.265370   5.930311   6.088120   6.955853
    29  H    6.462474   5.769326   7.223298   7.110546   8.290065
    30  C    4.765281   3.502940   5.841802   6.067166   6.785267
    31  H    5.358369   3.759760   6.509159   6.870852   7.377928
    32  H    3.700501   2.449993   4.854415   5.139252   5.755981
    33  H    5.280336   4.156298   6.381191   6.458050   7.334074
    34  C    5.010422   4.195059   5.601125   5.932891   6.571209
    35  H    5.810018   4.724333   6.459692   6.894614   7.364487
    36  H    5.397970   4.952363   5.725537   5.950070   6.723014
    37  H    4.054060   3.259386   4.673237   5.134087   5.589307
    38  C    5.277410   6.649566   4.383561   3.822411   5.148620
    39  O    5.818552   7.284912   4.962602   4.171022   5.695851
    40  N    5.458855   6.451587   4.814361   4.469303   5.702485
    41  H    4.922976   6.442537   3.815379   3.381640   4.424909
    42  C    6.309516   7.046968   5.905120   5.488443   6.881267
    43  H    6.333841   7.170894   5.971371   5.384718   6.956209
    44  H    7.348478   8.081009   6.863700   6.452575   7.795096
    45  H    6.166195   6.584109   5.991473   5.716017   7.024987
    46  C    5.301556   6.058817   4.706679   4.699440   5.537386
    47  H    4.928214   5.891996   4.124513   4.225246   4.807983
    48  H    4.850245   5.279445   4.555378   4.676325   5.473441
    49  H    6.354609   6.991720   5.756574   5.777479   6.537572
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389994   0.000000
    23  H    3.831957   1.102420   0.000000
    24  H    3.603523   1.102372   1.789229   0.000000
    25  H    4.177837   1.098865   1.798189   1.795941   0.000000
    26  C    6.496860   6.467584   7.569941   6.207357   6.175951
    27  O    6.863794   7.319263   8.414707   6.997571   7.159124
    28  N    5.642206   5.613301   6.701599   5.558902   5.270407
    29  H    7.092301   6.555645   7.642779   6.221968   6.161356
    30  C    5.781332   4.968698   6.014891   5.050321   4.380762
    31  H    6.410003   5.618780   6.601248   5.863089   4.927172
    32  H    4.886877   3.916103   4.950459   4.102269   3.350775
    33  H    6.449270   5.201253   6.232961   5.130761   4.542806
    34  C    5.077361   5.826466   6.861377   5.918473   5.636759
    35  H    5.897193   6.655342   7.658266   6.853755   6.373042
    36  H    5.078018   6.289357   7.318650   6.254548   6.260641
    37  H    4.161608   4.993052   5.976670   5.217652   4.861030
    38  C    3.895173   6.000107   6.634753   5.453429   6.752562
    39  O    4.710398   6.275268   6.860949   5.545907   7.044261
    40  N    4.151447   6.304344   7.089581   5.850329   6.891164
    41  H    3.246813   5.785381   6.299486   5.384257   6.628565
    42  C    5.345046   6.980626   7.867465   6.417745   7.419082
    43  H    5.598444   6.786367   7.655236   6.079120   7.228436
    44  H    6.235761   8.061864   8.929302   7.498646   8.515855
    45  H    5.408760   6.861634   7.831110   6.390061   7.152782
    46  C    3.803866   6.406276   7.191123   6.196915   6.933337
    47  H    3.137338   6.136437   6.796610   6.028418   6.770455
    48  H    3.688495   5.957202   6.832336   5.831536   6.334633
    49  H    4.805408   7.490045   8.277350   7.293052   7.986401
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242786   0.000000
    28  N    1.359488   2.312229   0.000000
    29  H    1.107860   2.058372   2.056681   0.000000
    30  C    2.463750   3.632167   1.462075   2.560836   0.000000
    31  H    3.142670   4.234563   2.114617   3.268984   1.102914
    32  H    3.221076   4.311149   2.105234   3.383829   1.101346
    33  H    2.553494   3.795969   2.104680   2.162208   1.098851
    34  C    2.461635   2.848112   1.464749   3.412990   2.495464
    35  H    3.033652   3.343151   2.122154   3.943950   2.939734
    36  H    2.580601   2.486315   2.100997   3.658180   3.391210
    37  H    3.286215   3.794070   2.098274   4.113167   2.619609
    38  C    6.213733   5.975705   6.148098   6.816988   6.946500
    39  O    6.621903   6.401613   6.719631   7.062169   7.447800
    40  N    5.259954   4.873329   5.253545   5.995732   6.253478
    41  H    6.836631   6.687695   6.567618   7.487503   7.264063
    42  C    4.584159   3.983005   4.947573   5.250233   6.093956
    43  H    4.678272   4.211006   5.160764   5.131816   6.165746
    44  H    5.308582   4.504571   5.783196   5.997784   7.022335
    45  H    3.599589   2.940023   3.998081   4.364819   5.248407
    46  C    5.301756   4.933641   5.033102   6.208559   6.065873
    47  H    6.107537   5.879195   5.655793   6.988189   6.515980
    48  H    4.400716   4.149024   4.005670   5.352564   5.048095
    49  H    5.750045   5.176196   5.594857   6.721118   6.761002
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.785938   0.000000
    33  H    1.800554   1.793810   0.000000
    34  C    2.800681   2.738874   3.421408   0.000000
    35  H    2.827795   3.344718   3.893905   1.103562   0.000000
    36  H    3.832547   3.610441   4.177299   1.097298   1.796909
    37  H    2.937090   2.408361   3.639582   1.099698   1.790118
    38  C    7.862197   6.507397   7.332389   5.812331   6.796176
    39  O    8.443235   7.029866   7.666579   6.618854   7.652820
    40  N    7.108333   5.976984   6.712931   4.807862   5.730877
    41  H    8.113320   6.697916   7.752516   6.070766   7.009889
    42  C    6.982922   6.054195   6.397922   4.764122   5.663450
    43  H    7.146920   6.108601   6.295542   5.261641   6.235049
    44  H    7.862097   7.057752   7.329628   5.519433   6.310333
    45  H    6.078546   5.340789   5.593044   3.822893   4.677292
    46  C    6.750868   5.776627   6.736563   4.204132   4.972085
    47  H    7.163906   6.061603   7.241947   4.751730   5.492932
    48  H    5.682283   4.812244   5.780278   3.105812   3.886048
    49  H    7.371271   6.592798   7.452321   4.664180   5.270684
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796444   0.000000
    38  C    5.144571   5.556265   0.000000
    39  O    5.984841   6.422179   1.241697   0.000000
    40  N    4.002850   4.725935   1.358927   2.311369   0.000000
    41  H    5.484909   5.636997   1.108530   2.057866   2.056018
    42  C    3.874473   4.994308   2.465416   2.854009   1.465974
    43  H    4.507019   5.472005   2.587001   2.495484   2.105863
    44  H    4.530267   5.840062   3.053079   3.367429   2.125831
    45  H    2.909784   4.214122   3.279511   3.791081   2.095123
    46  C    3.389189   4.032715   2.465369   3.633212   1.464019
    47  H    4.102469   4.338667   2.550169   3.791306   2.105790
    48  H    2.340005   2.959971   3.177526   4.259638   2.105315
    49  H    3.719530   4.657357   3.188952   4.288188   2.116263
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.415904   0.000000
    43  H    3.661654   1.098249   0.000000
    44  H    3.968938   1.102726   1.800044   0.000000
    45  H    4.099903   1.099117   1.794398   1.785770   0.000000
    46  C    2.560596   2.495864   3.383933   2.970719   2.591499
    47  H    2.154724   3.422824   4.178150   3.906920   3.628205
    48  H    3.325326   2.753900   3.586529   3.408918   2.409402
    49  H    3.327351   2.784635   3.824788   2.855743   2.858007
                   46         47         48         49
    46  C    0.000000
    47  H    1.098790   0.000000
    48  H    1.103595   1.794510   0.000000
    49  H    1.102238   1.798887   1.792441   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2146614      0.1950068      0.1840487
 Leave Link  202 at Mon Nov 14 02:41:19 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.3603419198 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839312993 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.1764106205 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4012
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.46D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     210
 GePol: Fraction of low-weight points (<1% of avg)   =       5.23%
 GePol: Cavity surface area                          =    467.317 Ang**2
 GePol: Cavity volume                                =    457.481 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039965881 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.1724140324 Hartrees.
 Leave Link  301 at Mon Nov 14 02:41:20 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37494.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:41:21 2016, MaxMem=  2952790016 cpu:        14.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:41:21 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001016    0.011604    0.000162
         Rot=    0.999999   -0.000702    0.000136   -0.001074 Ang=  -0.15 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50891795970    
 Leave Link  401 at Mon Nov 14 02:41:28 2016, MaxMem=  2952790016 cpu:        79.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48288432.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for    707.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.09D-15 for   1618   1068.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.04D-14 for   1959.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.81D-12 for   2460   2452.
 E= -1013.44790349237    
 DIIS: error= 1.42D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44790349237     IErMin= 1 ErrMin= 1.42D-03
 ErrMax= 1.42D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-03 BMatP= 2.06D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.42D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 GapD=    0.326 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.42D-04 MaxDP=7.07D-03              OVMax= 1.10D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.42D-04    CP:  1.00D+00
 E= -1013.45115021097     Delta-E=       -0.003246718605 Rises=F Damp=F
 DIIS: error= 2.24D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45115021097     IErMin= 2 ErrMin= 2.24D-04
 ErrMax= 2.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.86D-05 BMatP= 2.06D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.24D-03
 Coeff-Com:  0.301D-01 0.970D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.300D-01 0.970D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.57D-05 MaxDP=2.98D-03 DE=-3.25D-03 OVMax= 4.36D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.41D-05    CP:  1.00D+00  9.52D-01
 E= -1013.45098949272     Delta-E=        0.000160718255 Rises=F Damp=F
 DIIS: error= 7.00D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45115021097     IErMin= 2 ErrMin= 2.24D-04
 ErrMax= 7.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-04 BMatP= 4.86D-05
 IDIUse=3 WtCom= 2.74D-01 WtEn= 7.26D-01
 Coeff-Com:  0.277D-02 0.702D+00 0.295D+00
 Coeff-En:   0.000D+00 0.782D+00 0.218D+00
 Coeff:      0.761D-03 0.760D+00 0.239D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.37D-05 MaxDP=2.06D-03 DE= 1.61D-04 OVMax= 3.20D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.38D-05    CP:  1.00D+00  9.70D-01  4.42D-01
 E= -1013.45118709746     Delta-E=       -0.000197604744 Rises=F Damp=F
 DIIS: error= 6.31D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45118709746     IErMin= 4 ErrMin= 6.31D-05
 ErrMax= 6.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.47D-06 BMatP= 4.86D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.422D-04 0.308D+00 0.554D-01 0.636D+00
 Coeff:     -0.422D-04 0.308D+00 0.554D-01 0.636D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.23D-06 MaxDP=3.93D-04 DE=-1.98D-04 OVMax= 5.06D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.10D-06    CP:  1.00D+00  9.75D-01  3.54D-01  6.99D-01
 E= -1013.45119058755     Delta-E=       -0.000003490091 Rises=F Damp=F
 DIIS: error= 7.27D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45119058755     IErMin= 4 ErrMin= 6.31D-05
 ErrMax= 7.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-06 BMatP= 5.47D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-04 0.149D+00 0.104D-01 0.442D+00 0.399D+00
 Coeff:     -0.157D-04 0.149D+00 0.104D-01 0.442D+00 0.399D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.74D-06 MaxDP=1.97D-04 DE=-3.49D-06 OVMax= 2.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.46D-06    CP:  1.00D+00  9.77D-01  3.45D-01  7.38D-01  5.74D-01
 E= -1013.45119181075     Delta-E=       -0.000001223198 Rises=F Damp=F
 DIIS: error= 3.46D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45119181075     IErMin= 6 ErrMin= 3.46D-06
 ErrMax= 3.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-08 BMatP= 1.37D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-04 0.565D-01 0.291D-02 0.178D+00 0.178D+00 0.585D+00
 Coeff:     -0.186D-04 0.565D-01 0.291D-02 0.178D+00 0.178D+00 0.585D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.38D-07 MaxDP=1.75D-05 DE=-1.22D-06 OVMax= 2.14D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.89D-07    CP:  1.00D+00  9.77D-01  3.45D-01  7.46D-01  5.71D-01
                    CP:  8.86D-01
 E= -1013.45119181994     Delta-E=       -0.000000009189 Rises=F Damp=F
 DIIS: error= 1.52D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45119181994     IErMin= 7 ErrMin= 1.52D-06
 ErrMax= 1.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-09 BMatP= 1.17D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-04 0.128D-01 0.455D-03 0.435D-01 0.490D-01 0.325D+00
 Coeff-Com:  0.569D+00
 Coeff:     -0.141D-04 0.128D-01 0.455D-03 0.435D-01 0.490D-01 0.325D+00
 Coeff:      0.569D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.73D-07 MaxDP=7.04D-06 DE=-9.19D-09 OVMax= 1.18D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.23D-07    CP:  1.00D+00  9.77D-01  3.46D-01  7.45D-01  5.72D-01
                    CP:  8.92D-01  6.91D-01
 E= -1013.45119182169     Delta-E=       -0.000000001754 Rises=F Damp=F
 DIIS: error= 8.97D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45119182169     IErMin= 8 ErrMin= 8.97D-07
 ErrMax= 8.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.42D-10 BMatP= 2.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.885D-05 0.576D-02 0.173D-03 0.204D-01 0.243D-01 0.198D+00
 Coeff-Com:  0.407D+00 0.344D+00
 Coeff:     -0.885D-05 0.576D-02 0.173D-03 0.204D-01 0.243D-01 0.198D+00
 Coeff:      0.407D+00 0.344D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.37D-08 MaxDP=4.15D-06 DE=-1.75D-09 OVMax= 7.18D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.91D-08    CP:  1.00D+00  9.77D-01  3.46D-01  7.45D-01  5.73D-01
                    CP:  8.94D-01  7.18D-01  5.65D-01
 E= -1013.45119182200     Delta-E=       -0.000000000305 Rises=F Damp=F
 DIIS: error= 2.51D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45119182200     IErMin= 9 ErrMin= 2.51D-07
 ErrMax= 2.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-11 BMatP= 5.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.290D-05 0.770D-03 0.396D-04 0.310D-02 0.436D-02 0.535D-01
 Coeff-Com:  0.139D+00 0.250D+00 0.549D+00
 Coeff:     -0.290D-05 0.770D-03 0.396D-04 0.310D-02 0.436D-02 0.535D-01
 Coeff:      0.139D+00 0.250D+00 0.549D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.10D-08 MaxDP=9.02D-07 DE=-3.05D-10 OVMax= 1.71D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.34D-08    CP:  1.00D+00  9.77D-01  3.46D-01  7.45D-01  5.73D-01
                    CP:  8.97D-01  7.15D-01  6.01D-01  7.01D-01
 E= -1013.45119182200     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 3.71D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1013.45119182200     IErMin=10 ErrMin= 3.71D-08
 ErrMax= 3.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-12 BMatP= 5.57D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.966D-06 0.131D-03 0.177D-04 0.632D-03 0.110D-02 0.172D-01
 Coeff-Com:  0.494D-01 0.107D+00 0.262D+00 0.562D+00
 Coeff:     -0.966D-06 0.131D-03 0.177D-04 0.632D-03 0.110D-02 0.172D-01
 Coeff:      0.494D-01 0.107D+00 0.262D+00 0.562D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.01D-09 MaxDP=2.24D-07 DE= 4.09D-12 OVMax= 1.89D-07

 Error on total polarization charges =  0.04328
 SCF Done:  E(RB97D) =  -1013.45119182     A.U. after   10 cycles
            NFock= 10  Conv=0.40D-08     -V/T= 2.0213
 KE= 9.923599809932D+02 PE=-6.029953536539D+03 EE= 2.174969949692D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:43:23 2016, MaxMem=  2952790016 cpu:      1322.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37494.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 02:43:31 2016, MaxMem=  2952790016 cpu:        96.2
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:43:31 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:44:08 2016, MaxMem=  2952790016 cpu:       440.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.15641945D+00-2.64932452D+00 3.26418079D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000596356    0.000134203   -0.000410877
      2        6           0.000834241   -0.000093686   -0.000192034
      3        8           0.000286517   -0.000013118   -0.000125882
      4        7          -0.000308460   -0.000212755   -0.000169550
      5        1          -0.000366625    0.000149757    0.000324150
      6        6           0.000425204   -0.000467457    0.001019432
      7        1           0.000204697    0.000097535    0.000282859
      8        1          -0.000729335   -0.000009357   -0.000960564
      9        1          -0.000161725   -0.000196411   -0.000300666
     10        6          -0.000093209    0.000070402    0.000109057
     11        1          -0.000066059    0.000391379    0.000285405
     12        1           0.000042667    0.000084233   -0.000266684
     13        1           0.000120483    0.000047820    0.000082854
     14        6          -0.000169294   -0.000218363   -0.000060112
     15        8           0.000147308   -0.000078346    0.000267917
     16        7          -0.000252083   -0.000118000   -0.000315217
     17        1           0.000117419    0.000228988   -0.000007720
     18        6          -0.000099420    0.000110023   -0.000032019
     19        1           0.000001556   -0.000065229    0.000174619
     20        1           0.000009354    0.000010468   -0.000128084
     21        1          -0.000029688   -0.000013708   -0.000180554
     22        6           0.000030755    0.000117903    0.000123142
     23        1           0.000087159   -0.000062965    0.000011756
     24        1           0.000270516   -0.000031501   -0.000119444
     25        1           0.000002480    0.000007512   -0.000064982
     26        6           0.000511147    0.000779272    0.000532381
     27        8           0.000102679    0.000682202   -0.000232383
     28        7           0.000076605   -0.000259498   -0.000008863
     29        1          -0.000284601    0.000134030   -0.000046624
     30        6          -0.000110508   -0.000525086    0.000154246
     31        1           0.000267929    0.000078478   -0.000212046
     32        1          -0.000445009   -0.000448167   -0.000338337
     33        1          -0.000101958    0.000103370    0.000165304
     34        6          -0.000249495   -0.000404905    0.000037105
     35        1          -0.000033618    0.000065901   -0.000060199
     36        1           0.000049284   -0.000018175   -0.000079066
     37        1          -0.000026148   -0.000145004    0.000070566
     38        6          -0.000635450   -0.000498752    0.000283805
     39        8          -0.000593175    0.000408522   -0.001295959
     40        7          -0.000038690    0.001132203    0.001805390
     41        1          -0.000227286   -0.000373781   -0.000161989
     42        6           0.000539770   -0.000511195    0.000756810
     43        1          -0.000279619    0.000337891    0.000240938
     44        1          -0.000684270    0.000153048   -0.000361321
     45        1           0.000641829   -0.000524507   -0.000289996
     46        6           0.001056098   -0.000297740   -0.000981959
     47        1           0.000021605    0.000242246    0.000107524
     48        1          -0.000377883    0.000082070    0.000632723
     49        1          -0.000080052   -0.000061753   -0.000064855
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001805390 RMS     0.000390498
 Leave Link  716 at Mon Nov 14 02:44:08 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001417933 RMS     0.000117078
 Search for a local minimum.
 Step number  56 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .11708D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48   49   50   51
                                                     52   53   56   55
 ITU=  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
 Use linear search instead of GDIIS.
 Energy rises -- skip Quadratic/GDIIS search.
 Quartic linear search produced a step of -0.93538.
 Iteration  1 RMS(Cart)=  0.01704114 RMS(Int)=  0.00530580
 Iteration  2 RMS(Cart)=  0.00033674 RMS(Int)=  0.00001191
 Iteration  3 RMS(Cart)=  0.00000125 RMS(Int)=  0.00001186
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001186
 ITry= 1 IFail=0 DXMaxC= 1.49D-01 DCOld= 1.00D+10 DXMaxT= 3.34D-01 DXLimC= 3.00D+00 Rises=T
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58001   0.00014   0.00862   0.00000   0.00862   6.58863
    R2        6.27015   0.00000  -0.00729   0.00000  -0.00729   6.26286
    R3        7.31065  -0.00038  -0.04325   0.00000  -0.04325   7.26740
    R4        6.42636  -0.00034  -0.05839   0.00000  -0.05839   6.36797
    R5        6.51659   0.00013   0.00771   0.00000   0.00771   6.52430
    R6        6.00338  -0.00019  -0.02546   0.00000  -0.02546   5.97792
    R7        6.69107   0.00009   0.00633   0.00000   0.00633   6.69740
    R8        6.22691   0.00004   0.00278   0.00000   0.00278   6.22969
    R9        6.65384   0.00009   0.00255   0.00000   0.00255   6.65639
   R10        6.07824   0.00003  -0.00380   0.00000  -0.00380   6.07444
   R11        6.96525  -0.00007  -0.00341   0.00000  -0.00342   6.96183
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   A173       2.68379  -0.00002   0.02475   0.00000   0.02475   2.70854
   A174       2.11141   0.00005   0.01303   0.00000   0.01303   2.12444
   A175       2.10596   0.00000   0.00721   0.00000   0.00721   2.11316
   A176       2.28271   0.00006  -0.01439   0.00000  -0.01439   2.26832
   A177       2.06210  -0.00002  -0.01293   0.00000  -0.01293   2.04917
   A178       1.65472  -0.00007  -0.01493   0.00000  -0.01493   1.63979
   A179       1.40243  -0.00011  -0.01369   0.00000  -0.01369   1.38874
   A180       2.14369  -0.00005  -0.00868   0.00000  -0.00867   2.13502
   A181       1.89262  -0.00005   0.02831   0.00000   0.02832   1.92094
   A182       2.26129   0.00007   0.02605   0.00000   0.02606   2.28735
   A183       2.57973   0.00004   0.02743   0.00000   0.02744   2.60717
   A184       2.24466   0.00009   0.01674   0.00000   0.01674   2.26140
   A185       2.31963   0.00003   0.01078   0.00000   0.01078   2.33041
   A186       0.69073   0.00017   0.00094   0.00000   0.00094   0.69168
   A187       0.98005   0.00021   0.00222   0.00000   0.00222   0.98227
   A188       0.70081   0.00012  -0.00034   0.00000  -0.00034   0.70047
   A189       2.10767  -0.00001  -0.01439   0.00000  -0.01438   2.09328
   A190       1.73283  -0.00011  -0.01062   0.00000  -0.01062   1.72221
   A191       1.40124  -0.00010  -0.01500   0.00000  -0.01500   1.38624
   A192       1.09831  -0.00017  -0.01437   0.00000  -0.01438   1.08393
   A193       1.62498  -0.00008  -0.00147   0.00000  -0.00147   1.62351
   A194       1.40456  -0.00001   0.00061   0.00000   0.00060   1.40516
   A195       0.66465   0.00009   0.00178   0.00000   0.00178   0.66643
   A196       2.25625   0.00010  -0.00631   0.00000  -0.00630   2.24995
   A197       1.86089  -0.00004  -0.00589   0.00000  -0.00589   1.85500
   A198       1.64011  -0.00002  -0.01380   0.00000  -0.01381   1.62630
   A199       1.31953  -0.00008  -0.01163   0.00000  -0.01164   1.30789
   A200       1.61424  -0.00004   0.00198   0.00000   0.00197   1.61621
   A201       1.34065   0.00000   0.00292   0.00000   0.00292   1.34357
   A202       0.70822   0.00002   0.00170   0.00000   0.00170   0.70992
   A203       2.63986   0.00013   0.00027   0.00000   0.00029   2.64015
   A204       2.25551   0.00000  -0.00233   0.00000  -0.00233   2.25319
   A205       2.04870   0.00003  -0.01251   0.00000  -0.01251   2.03619
   A206       1.72879  -0.00003  -0.01047   0.00000  -0.01048   1.71831
   A207       1.95107   0.00001   0.00533   0.00000   0.00533   1.95640
   A208       1.66399   0.00003   0.00542   0.00000   0.00542   1.66941
   A209       0.83491   0.00004  -0.00024   0.00000  -0.00024   0.83467
   A210       2.68325   0.00008   0.00932   0.00000   0.00934   2.69259
   A211       2.38619   0.00002   0.00029   0.00000   0.00029   2.38648
   A212       2.29240   0.00006  -0.01172   0.00000  -0.01172   2.28068
   A213       1.97376   0.00001  -0.00915   0.00000  -0.00916   1.96459
   A214       2.00937   0.00003   0.00408   0.00000   0.00408   2.01344
   A215       1.72929   0.00004   0.00320   0.00000   0.00319   1.73248
   A216       1.93404   0.00011   0.00067   0.00000   0.00068   1.93471
   A217       1.56632  -0.00001  -0.00134   0.00000  -0.00133   1.56498
   A218       1.49133   0.00001  -0.01003   0.00000  -0.01003   1.48130
   A219       1.19514  -0.00002  -0.00603   0.00000  -0.00605   1.18909
   A220       1.24345  -0.00002   0.00345   0.00000   0.00344   1.24689
   A221       0.95735   0.00001   0.00357   0.00000   0.00356   0.96091
   A222       0.71953   0.00007  -0.00210   0.00000  -0.00210   0.71743
   A223       1.00979   0.00016  -0.00027   0.00000  -0.00026   1.00953
   A224       0.69808   0.00011  -0.00037   0.00000  -0.00037   0.69771
   A225       0.98547   0.00009  -0.00035   0.00000  -0.00035   0.98512
   A226       0.65534   0.00003   0.00265   0.00000   0.00266   0.65800
   A227       0.66607  -0.00002  -0.00036   0.00000  -0.00036   0.66571
   A228       0.71044  -0.00008  -0.00141   0.00000  -0.00142   0.70902
   A229       0.84955  -0.00004  -0.00376   0.00000  -0.00376   0.84579
   A230       0.75829  -0.00002   0.00747   0.00000   0.00746   0.76576
   A231       0.77111   0.00001   0.00579   0.00000   0.00578   0.77689
   A232       1.56352   0.00013   0.01809   0.00000   0.01809   1.58161
   A233       1.89069  -0.00026  -0.02079   0.00000  -0.02079   1.86990
   A234       2.19056  -0.00001  -0.00080   0.00000  -0.00080   2.18977
   A235       2.12948   0.00002  -0.00003   0.00000  -0.00004   2.12943
   A236       1.96290  -0.00001   0.00070   0.00000   0.00071   1.96361
   A237       2.12176   0.00003   0.00257   0.00000   0.00257   2.12433
   A238       2.12494   0.00013   0.00150   0.00000   0.00150   2.12644
   A239       2.03598  -0.00016  -0.00418   0.00000  -0.00418   2.03180
   A240       1.84124   0.00004  -0.00782   0.00000  -0.00781   1.83342
   A241       2.53375  -0.00007   0.00682   0.00000   0.00683   2.54058
   A242       1.91133  -0.00001   0.00240   0.00000   0.00240   1.91373
   A243       1.91752   0.00007  -0.00125   0.00000  -0.00125   1.91627
   A244       1.91978  -0.00012  -0.00394   0.00000  -0.00394   1.91584
   A245       1.91122  -0.00008  -0.00063   0.00000  -0.00063   1.91059
   A246       1.90799   0.00003   0.00072   0.00000   0.00072   1.90871
   A247       1.89588   0.00011   0.00271   0.00000   0.00270   1.89859
   A248       1.25882   0.00020   0.02095   0.00000   0.02095   1.27977
   A249       1.90839  -0.00014  -0.00332   0.00000  -0.00331   1.90508
   A250       1.90950   0.00000   0.00024   0.00000   0.00024   1.90974
   A251       1.92682   0.00005   0.00056   0.00000   0.00055   1.92737
   A252       1.90821   0.00016   0.00255   0.00000   0.00255   1.91075
   A253       1.89926   0.00000  -0.00128   0.00000  -0.00128   1.89798
   A254       1.91154  -0.00006   0.00126   0.00000   0.00126   1.91280
   A255       1.71505   0.00009   0.00490   0.00000   0.00490   1.71995
   A256       1.77406  -0.00016  -0.00629   0.00000  -0.00629   1.76778
   A257       2.18948   0.00007   0.00123   0.00000   0.00122   2.19071
   A258       2.13088  -0.00001  -0.00079   0.00000  -0.00079   2.13009
   A259       1.96267  -0.00007  -0.00048   0.00000  -0.00048   1.96219
   A260       2.12513  -0.00001  -0.00028   0.00000  -0.00028   2.12486
   A261       2.12404  -0.00004  -0.00080   0.00000  -0.00080   2.12324
   A262       2.03373   0.00005   0.00105   0.00000   0.00105   2.03479
   A263       1.34739   0.00001   0.00196   0.00000   0.00196   1.34935
   A264       1.90007   0.00000   0.00028   0.00000   0.00029   1.90035
   A265       1.93083   0.00002   0.00052   0.00000   0.00052   1.93135
   A266       1.91034  -0.00001  -0.00029   0.00000  -0.00029   1.91005
   A267       1.89734  -0.00001   0.00001   0.00000   0.00001   1.89735
   A268       1.91429  -0.00003  -0.00117   0.00000  -0.00117   1.91312
   A269       1.91085   0.00003   0.00063   0.00000   0.00063   1.91148
   A270       2.66952   0.00003  -0.00354   0.00000  -0.00354   2.66598
   A271       1.69331   0.00001   0.00413   0.00000   0.00413   1.69745
   A272       1.92550  -0.00006  -0.00090   0.00000  -0.00091   1.92460
   A273       1.91091   0.00008   0.00197   0.00000   0.00198   1.91288
   A274       1.91330   0.00008   0.00021   0.00000   0.00021   1.91350
   A275       1.89349   0.00004   0.00089   0.00000   0.00089   1.89438
   A276       1.91196  -0.00005  -0.00092   0.00000  -0.00092   1.91104
   A277       1.90849  -0.00010  -0.00124   0.00000  -0.00125   1.90724
   A278       1.78617   0.00019   0.01366   0.00000   0.01366   1.79983
   A279       1.76745  -0.00018  -0.01059   0.00000  -0.01059   1.75686
   A280       2.18727   0.00021   0.00219   0.00000   0.00219   2.18946
   A281       2.13179  -0.00007  -0.00105   0.00000  -0.00105   2.13074
   A282       1.96408  -0.00014  -0.00118   0.00000  -0.00117   1.96292
   A283       2.12267   0.00014   0.00012   0.00000   0.00012   2.12278
   A284       2.11617   0.00002  -0.00034   0.00000  -0.00034   2.11584
   A285       2.04195  -0.00016  -0.00006   0.00000  -0.00006   2.04189
   A286       2.67700   0.00019   0.01662   0.00000   0.01662   2.69362
   A287       1.68016  -0.00010  -0.01447   0.00000  -0.01447   1.66570
   A288       1.92464   0.00007   0.00143   0.00000   0.00144   1.92608
   A289       1.91323   0.00008   0.00215   0.00000   0.00214   1.91537
   A290       1.91508  -0.00010  -0.00256   0.00000  -0.00256   1.91252
   A291       1.88906   0.00008   0.00182   0.00000   0.00182   1.89088
   A292       1.91508  -0.00008  -0.00225   0.00000  -0.00225   1.91283
   A293       1.90648  -0.00006  -0.00055   0.00000  -0.00055   1.90592
   A294       1.36093  -0.00001  -0.00478   0.00000  -0.00478   1.35615
   A295       1.14476   0.00009   0.00485   0.00000   0.00485   1.14962
   A296       1.93124  -0.00002   0.00084   0.00000   0.00084   1.93208
   A297       1.90837  -0.00012  -0.00133   0.00000  -0.00133   1.90704
   A298       1.90211   0.00011   0.00013   0.00000   0.00013   1.90224
   A299       1.91049   0.00002  -0.00074   0.00000  -0.00074   1.90975
   A300       1.89681  -0.00003   0.00091   0.00000   0.00091   1.89772
   A301       1.91474   0.00003   0.00020   0.00000   0.00020   1.91494
   A302       1.70350   0.00012   0.00997   0.00000   0.00996   1.71346
   A303       1.78695  -0.00012  -0.01257   0.00000  -0.01257   1.77438
   A304       2.18828   0.00008   0.00330   0.00000   0.00330   2.19158
   A305       2.13159  -0.00006  -0.00146   0.00000  -0.00147   2.13012
   A306       1.96304  -0.00002  -0.00184   0.00000  -0.00184   1.96120
   A307       2.12079  -0.00002   0.00240   0.00000   0.00240   2.12319
   A308       2.12323   0.00011  -0.00065   0.00000  -0.00065   2.12258
   A309       2.03895  -0.00009  -0.00217   0.00000  -0.00217   2.03678
   A310       1.27776   0.00021   0.04336   0.00000   0.04333   1.32108
   A311       3.07810   0.00023  -0.04281   0.00000  -0.04279   3.03531
   A312       1.91264   0.00012  -0.00389   0.00000  -0.00385   1.90879
   A313       1.93580  -0.00006  -0.00455   0.00000  -0.00434   1.93146
   A314       1.89691   0.00006   0.00458   0.00000   0.00461   1.90152
   A315       1.91529  -0.00040  -0.00302   0.00000  -0.00312   1.91217
   A316       1.91104  -0.00011   0.00017   0.00000   0.00011   1.91114
   A317       1.89184   0.00039   0.00689   0.00000   0.00678   1.89861
   A318       1.74182   0.00006  -0.01003   0.00000  -0.01003   1.73179
   A319       1.91434  -0.00003  -0.00056   0.00000  -0.00056   1.91377
   A320       1.90865   0.00046   0.00579   0.00000   0.00579   1.91444
   A321       1.92529  -0.00014  -0.00107   0.00000  -0.00107   1.92422
   A322       1.90477  -0.00010   0.00087   0.00000   0.00088   1.90565
   A323       1.91340  -0.00009  -0.00254   0.00000  -0.00253   1.91086
   A324       1.89717  -0.00010  -0.00249   0.00000  -0.00248   1.89468
   A325       2.94226  -0.00012  -0.00788   0.00000  -0.00788   2.93438
   A326       3.35732   0.00003  -0.00354   0.00000  -0.00353   3.35380
   A327       3.07675   0.00003  -0.00436   0.00000  -0.00435   3.07240
   A328       3.17036   0.00014   0.02221   0.00000   0.02222   3.19257
   A329       3.25824   0.00004   0.00259   0.00000   0.00259   3.26083
   A330       3.27142   0.00001  -0.00552   0.00000  -0.00552   3.26590
   A331       3.65521  -0.00002  -0.01257   0.00000  -0.01257   3.64265
   A332       3.21299   0.00002  -0.00111   0.00000  -0.00111   3.21188
   A333       2.97291   0.00008   0.02538   0.00000   0.02539   2.99830
   A334       2.90379   0.00010   0.02936   0.00000   0.02937   2.93316
   A335       3.22085   0.00009   0.00690   0.00000   0.00690   3.22776
   A336       3.08119  -0.00003  -0.00219   0.00000  -0.00219   3.07900
   A337       3.09784   0.00008   0.00369   0.00000   0.00369   3.10153
   A338       3.04660   0.00003  -0.00787   0.00000  -0.00787   3.03873
    D1        2.76414   0.00000  -0.00538   0.00000  -0.00538   2.75876
    D2       -1.35868   0.00001  -0.00295   0.00000  -0.00294  -1.36163
    D3        2.79389   0.00001  -0.01086   0.00000  -0.01086   2.78303
    D4       -1.32893   0.00002  -0.00843   0.00000  -0.00842  -1.33735
    D5        1.67193  -0.00001  -0.00742   0.00000  -0.00742   1.66451
    D6       -2.45089   0.00000  -0.00498   0.00000  -0.00498  -2.45588
    D7        1.85767   0.00005  -0.01105   0.00000  -0.01105   1.84663
    D8       -2.26515   0.00006  -0.00861   0.00000  -0.00861  -2.27376
    D9        0.34412   0.00002  -0.01839   0.00000  -0.01840   0.32573
   D10        2.50449   0.00003  -0.01596   0.00000  -0.01596   2.48853
   D11        0.05282  -0.00002  -0.01251   0.00000  -0.01251   0.04030
   D12        2.21318  -0.00001  -0.01008   0.00000  -0.01008   2.20310
   D13       -0.41910  -0.00002  -0.00975   0.00000  -0.00975  -0.42885
   D14        1.74126  -0.00001  -0.00732   0.00000  -0.00731   1.73395
   D15       -0.53917  -0.00003  -0.01008   0.00000  -0.01008  -0.54925
   D16        1.62119  -0.00002  -0.00765   0.00000  -0.00764   1.61355
   D17        0.22933  -0.00002  -0.00980   0.00000  -0.00980   0.21953
   D18        2.38969  -0.00001  -0.00736   0.00000  -0.00736   2.38233
   D19        0.16021   0.00000  -0.00582   0.00000  -0.00582   0.15439
   D20        2.32057   0.00001  -0.00338   0.00000  -0.00338   2.31719
   D21        2.42940   0.00007  -0.02151   0.00000  -0.02151   2.40788
   D22       -1.69342   0.00009  -0.01908   0.00000  -0.01908  -1.71250
   D23        2.18813  -0.00002  -0.02488   0.00000  -0.02488   2.16325
   D24       -1.93470  -0.00001  -0.02244   0.00000  -0.02244  -1.95714
   D25        1.74711  -0.00006  -0.02528   0.00000  -0.02528   1.72183
   D26       -2.37571  -0.00005  -0.02284   0.00000  -0.02284  -2.39856
   D27        1.44143  -0.00009  -0.02655   0.00000  -0.02655   1.41488
   D28       -2.68139  -0.00008  -0.02412   0.00000  -0.02412  -2.70551
   D29        2.40343  -0.00011  -0.03085   0.00000  -0.03085   2.37258
   D30       -1.71940  -0.00010  -0.02841   0.00000  -0.02841  -1.74780
   D31       -1.73928   0.00005  -0.03712   0.00000  -0.03712  -1.77640
   D32        0.42108   0.00007  -0.03469   0.00000  -0.03468   0.38640
   D33       -2.08327  -0.00007  -0.03157   0.00000  -0.03157  -2.11484
   D34        0.07709  -0.00006  -0.02913   0.00000  -0.02913   0.04796
   D35       -2.45862  -0.00001  -0.03525   0.00000  -0.03526  -2.49388
   D36       -0.29826   0.00000  -0.03282   0.00000  -0.03282  -0.33108
   D37       -2.74358  -0.00010  -0.03518   0.00000  -0.03518  -2.77877
   D38       -0.58322  -0.00009  -0.03274   0.00000  -0.03275  -0.61597
   D39       -2.10498  -0.00014  -0.01984   0.00000  -0.01984  -2.12482
   D40        0.05538  -0.00013  -0.01741   0.00000  -0.01740   0.03798
   D41       -2.35734  -0.00011  -0.01547   0.00000  -0.01547  -2.37281
   D42       -0.19698  -0.00010  -0.01303   0.00000  -0.01303  -0.21001
   D43        1.24608   0.00008   0.01348   0.00000   0.01348   1.25956
   D44       -1.92215   0.00007  -0.00049   0.00000  -0.00049  -1.92264
   D45        2.44898   0.00001   0.00755   0.00000   0.00755   2.45653
   D46       -0.71925   0.00000  -0.00642   0.00000  -0.00642  -0.72567
   D47        2.93896   0.00006   0.00458   0.00000   0.00458   2.94353
   D48       -0.22928   0.00005  -0.00939   0.00000  -0.00939  -0.23867
   D49        2.86745   0.00007  -0.00574   0.00000  -0.00573   2.86172
   D50       -0.30078   0.00006  -0.01971   0.00000  -0.01970  -0.32048
   D51        2.05655   0.00003  -0.00350   0.00000  -0.00351   2.05305
   D52       -1.11168   0.00001  -0.01747   0.00000  -0.01747  -1.12915
   D53        1.16302   0.00005   0.00583   0.00000   0.00583   1.16885
   D54       -2.00522   0.00004  -0.00814   0.00000  -0.00814  -2.01335
   D55        1.01713   0.00004   0.00851   0.00000   0.00852   1.02565
   D56       -2.15110   0.00003  -0.00546   0.00000  -0.00545  -2.15655
   D57        2.02023   0.00006   0.00525   0.00000   0.00525   2.02548
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   D59        1.82144   0.00008   0.01001   0.00000   0.01001   1.83146
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   D282       0.79038   0.00001   0.00477   0.00000   0.00477   0.79515
   D283      -2.56655   0.00002   0.00020   0.00000   0.00020  -2.56635
   D284       1.56014   0.00008   0.01664   0.00000   0.01664   1.57677
   D285      -2.65697   0.00008   0.01751   0.00000   0.01751  -2.63946
   D286       1.63453   0.00004   0.00635   0.00000   0.00635   1.64089
   D287      -2.58257   0.00005   0.00723   0.00000   0.00723  -2.57534
   D288       1.33226   0.00003  -0.00017   0.00000  -0.00017   1.33209
   D289      -2.88484   0.00003   0.00070   0.00000   0.00070  -2.88414
   D290       1.24437   0.00003  -0.00007   0.00000  -0.00007   1.24430
   D291      -2.97274   0.00003   0.00081   0.00000   0.00081  -2.97193
   D292       2.03633  -0.00002   0.00219   0.00000   0.00220   2.03853
   D293      -2.18077  -0.00001   0.00307   0.00000   0.00307  -2.17770
   D294       2.02003  -0.00007   0.00032   0.00000   0.00032   2.02035
   D295      -2.19708  -0.00007   0.00119   0.00000   0.00119  -2.19588
   D296      -2.30433   0.00003   0.00304   0.00000   0.00304  -2.30128
   D297      -0.23825   0.00003   0.00392   0.00000   0.00392  -0.23433
   D298      -2.27354   0.00001  -0.00256   0.00000  -0.00256  -2.27610
   D299      -0.20746   0.00002  -0.00168   0.00000  -0.00168  -0.20914
   D300      -1.88259   0.00000  -0.00522   0.00000  -0.00522  -1.88780
   D301       0.18350   0.00000  -0.00435   0.00000  -0.00434   0.17915
   D302      -1.81685  -0.00001  -0.00911   0.00000  -0.00911  -1.82596
   D303       0.24923  -0.00001  -0.00824   0.00000  -0.00823   0.24100
   D304      -2.61602   0.00000  -0.00582   0.00000  -0.00582  -2.62184
   D305      -0.54994   0.00000  -0.00494   0.00000  -0.00494  -0.55488
   D306      -2.73532  -0.00004  -0.01135   0.00000  -0.01136  -2.74668
   D307      -0.66924  -0.00003  -0.01047   0.00000  -0.01048  -0.67972
   D308       1.52036  -0.00019   0.00235   0.00000   0.00235   1.52271
   D309      -2.69675  -0.00019   0.00323   0.00000   0.00323  -2.69352
   D310       2.62036  -0.00001   0.00295   0.00000   0.00295   2.62331
   D311      -1.59674  -0.00001   0.00382   0.00000   0.00382  -1.59292
   D312       2.99911   0.00003   0.00677   0.00000   0.00677   3.00588
   D313      -1.21800   0.00003   0.00764   0.00000   0.00764  -1.21035
   D314      -0.45975  -0.00005   0.02543   0.00000   0.02543  -0.43431
   D315       1.60633  -0.00005   0.02630   0.00000   0.02630   1.63264
   D316      -0.30879   0.00001   0.01740   0.00000   0.01740  -0.29139
   D317       1.75729   0.00001   0.01827   0.00000   0.01828   1.77557
   D318       0.11848  -0.00004   0.01381   0.00000   0.01382   0.13230
   D319       2.18456  -0.00003   0.01469   0.00000   0.01469   2.19925
   D320       0.24504   0.00005   0.01789   0.00000   0.01789   0.26293
   D321       2.31112   0.00005   0.01877   0.00000   0.01876   2.32989
   D322      -0.56388   0.00006   0.01008   0.00000   0.01008  -0.55380
   D323       1.50220   0.00007   0.01096   0.00000   0.01096   1.51316
   D324      -0.59810   0.00002   0.00697   0.00000   0.00697  -0.59113
   D325       1.46798   0.00003   0.00784   0.00000   0.00784   1.47582
   D326       0.07212   0.00007  -0.02199   0.00000  -0.02200   0.05013
   D327       2.26002   0.00001  -0.02402   0.00000  -0.02402   2.23600
   D328       0.37442  -0.00001  -0.01535   0.00000  -0.01534   0.35907
   D329       2.56231  -0.00007  -0.01737   0.00000  -0.01737   2.54495
   D330       0.73765   0.00004  -0.01636   0.00000  -0.01636   0.72129
   D331       2.92555  -0.00002  -0.01838   0.00000  -0.01838   2.90717
   D332       1.01631  -0.00008  -0.01673   0.00000  -0.01673   0.99957
   D333      -3.07899  -0.00014  -0.01875   0.00000  -0.01875  -3.09774
   D334       0.30486  -0.00001  -0.00015   0.00000  -0.00014   0.30472
   D335       2.49275  -0.00007  -0.00218   0.00000  -0.00216   2.49059
   D336       0.69134  -0.00002  -0.00320   0.00000  -0.00318   0.68816
   D337       2.87924  -0.00008  -0.00523   0.00000  -0.00520   2.87403
   D338      -2.34588   0.00006  -0.01711   0.00000  -0.01711  -2.36299
   D339      -0.15798   0.00000  -0.01913   0.00000  -0.01913  -0.17712
   D340      -1.97015   0.00007  -0.01235   0.00000  -0.01235  -1.98250
   D341       0.21775   0.00001  -0.01437   0.00000  -0.01438   0.20337
   D342      -1.93059   0.00004  -0.00889   0.00000  -0.00890  -1.93949
   D343       0.25730  -0.00002  -0.01092   0.00000  -0.01092   0.24638
   D344      -1.63408   0.00001  -0.01142   0.00000  -0.01143  -1.64551
   D345       0.55382  -0.00005  -0.01344   0.00000  -0.01346   0.54036
   D346      -1.59606   0.00005  -0.00971   0.00000  -0.00973  -1.60579
   D347       0.59184   0.00000  -0.01173   0.00000  -0.01176   0.58008
   D348      -1.29772   0.00005  -0.00645   0.00000  -0.00648  -1.30419
   D349       0.89018  -0.00001  -0.00848   0.00000  -0.00850   0.88168
   D350       1.82522  -0.00011  -0.02264   0.00000  -0.02265   1.80257
   D351      -2.27007  -0.00017  -0.02467   0.00000  -0.02468  -2.29474
   D352       2.25903   0.00000  -0.03090   0.00000  -0.03091   2.22812
   D353      -1.83626  -0.00006  -0.03293   0.00000  -0.03294  -1.86920
   D354       2.50133   0.00011  -0.05259   0.00000  -0.05259   2.44874
   D355      -1.59396   0.00005  -0.05462   0.00000  -0.05462  -1.64858
   D356       3.13446   0.00035  -0.04559   0.00000  -0.04555   3.08891
   D357      -0.96083   0.00030  -0.04761   0.00000  -0.04758  -1.00841
   D358       2.58453   0.00007  -0.02183   0.00000  -0.02183   2.56271
   D359      -1.51076   0.00002  -0.02385   0.00000  -0.02385  -1.53460
   D360       1.61133   0.00016   0.00176   0.00000   0.00176   1.61310
   D361      -2.48396   0.00010  -0.00026   0.00000  -0.00026  -2.48422
   D362       1.79248   0.00007  -0.01065   0.00000  -0.01062   1.78186
   D363      -2.30281   0.00001  -0.01267   0.00000  -0.01265  -2.31545
   D364       2.73827  -0.00011   0.00124   0.00000   0.00124   2.73952
   D365      -1.35702  -0.00017  -0.00078   0.00000  -0.00078  -1.35780
   D366       2.72024   0.00000  -0.00329   0.00000  -0.00330   2.71694
   D367      -1.37505  -0.00006  -0.00532   0.00000  -0.00532  -1.38037
   D368       0.03407   0.00009   0.00625   0.00000   0.00625   0.04032
   D369      -2.48754   0.00007  -0.09062   0.00000  -0.09064  -2.57818
   D370       0.43437   0.00002   0.00575   0.00000   0.00576   0.44012
   D371      -2.08724   0.00000  -0.09112   0.00000  -0.09113  -2.17837
   D372       0.64977   0.00005  -0.00076   0.00000  -0.00074   0.64903
   D373      -1.87184   0.00003  -0.09763   0.00000  -0.09763  -1.96947
   D374       0.92087  -0.00009  -0.00063   0.00000  -0.00061   0.92025
   D375      -1.60075  -0.00011  -0.09750   0.00000  -0.09750  -1.69824
   D376       0.66957   0.00004   0.01616   0.00000   0.01617   0.68573
   D377      -1.85205   0.00002  -0.08072   0.00000  -0.08071  -1.93276
   D378       1.01128   0.00003   0.01311   0.00000   0.01312   1.02439
   D379      -1.51034   0.00001  -0.08377   0.00000  -0.08376  -1.59410
   D380      -2.77601   0.00004  -0.00656   0.00000  -0.00655  -2.78256
   D381       0.98556   0.00002  -0.10343   0.00000  -0.10343   0.88213
   D382      -2.21918   0.00004  -0.00465   0.00000  -0.00463  -2.22381
   D383       1.54239   0.00001  -0.10153   0.00000  -0.10151   1.44088
   D384      -1.99014   0.00004   0.00981   0.00000   0.00982  -1.98032
   D385       1.77143   0.00002  -0.08707   0.00000  -0.08706   1.68437
   D386      -1.66101   0.00001   0.01364   0.00000   0.01364  -1.64737
   D387       2.10056  -0.00001  -0.08324   0.00000  -0.08324   2.01732
   D388      -1.69556  -0.00007  -0.00185   0.00000  -0.00180  -1.69737
   D389       2.06601  -0.00009  -0.09872   0.00000  -0.09869   1.96732
   D390      -1.13506  -0.00001   0.02888   0.00000   0.02883  -1.10624
   D391       2.62651  -0.00003  -0.06800   0.00000  -0.06806   2.55845
   D392       1.76981  -0.00008   0.00967   0.00000   0.00968   1.77949
   D393      -0.75180  -0.00010  -0.08720   0.00000  -0.08720  -0.83900
   D394       2.07094   0.00000   0.00811   0.00000   0.00811   2.07905
   D395      -0.45068  -0.00002  -0.08877   0.00000  -0.08877  -0.53945
   D396       2.01810   0.00003   0.00498   0.00000   0.00498   2.02308
   D397      -0.50351   0.00001  -0.09190   0.00000  -0.09190  -0.59541
   D398       2.21313   0.00008   0.00575   0.00000   0.00575   2.21888
   D399      -0.30849   0.00006  -0.09112   0.00000  -0.09113  -0.39962
   D400       2.47071   0.00003   0.00989   0.00000   0.00990   2.48061
   D401      -0.05090   0.00001  -0.08698   0.00000  -0.08698  -0.13788
   D402      -1.55791   0.00016   0.02900   0.00000   0.02900  -1.52890
   D403       2.20366   0.00013  -0.06787   0.00000  -0.06788   2.13578
   D404      -2.65539  -0.00004   0.02713   0.00000   0.02713  -2.62827
   D405       1.10618  -0.00006  -0.06975   0.00000  -0.06975   1.03642
   D406      -3.01566   0.00001   0.02404   0.00000   0.02404  -2.99162
   D407       0.74591  -0.00001  -0.07284   0.00000  -0.07284   0.67307
   D408       1.92433   0.00011  -0.02458   0.00000  -0.02458   1.89975
   D409       2.41641   0.00004  -0.02458   0.00000  -0.02459   2.39183
   D410       2.65003   0.00005  -0.02631   0.00000  -0.02631   2.62372
   D411       2.88234  -0.00007  -0.02545   0.00000  -0.02545   2.85689
   D412       2.83165   0.00006  -0.02176   0.00000  -0.02177   2.80989
   D413      -2.94710  -0.00006  -0.02817   0.00000  -0.02817  -2.97527
   D414      -0.74526   0.00001  -0.02112   0.00000  -0.02112  -0.76638
   D415      -0.36273   0.00003  -0.02232   0.00000  -0.02232  -0.38506
   D416      -0.05656   0.00004  -0.02001   0.00000  -0.02001  -0.07657
   D417       0.25340   0.00000  -0.02087   0.00000  -0.02087   0.23252
   D418      -0.22172  -0.00002  -0.02608   0.00000  -0.02609  -0.24781
   D419       0.09139  -0.00003  -0.02530   0.00000  -0.02530   0.06609
   D420      -2.55645  -0.00014  -0.01994   0.00000  -0.01993  -2.57638
   D421      -2.17264  -0.00003  -0.02053   0.00000  -0.02052  -2.19316
   D422      -1.92915   0.00000  -0.02221   0.00000  -0.02221  -1.95136
   D423      -1.61754   0.00004  -0.01934   0.00000  -0.01934  -1.63688
   D424      -1.95902   0.00005  -0.01732   0.00000  -0.01732  -1.97634
   D425       1.33432  -0.00014   0.00519   0.00000   0.00520   1.33952
   D426       2.48396  -0.00004   0.00295   0.00000   0.00295   2.48691
   D427       2.95977   0.00006  -0.00423   0.00000  -0.00419   2.95558
   D428      -3.06478  -0.00002  -0.00555   0.00000  -0.00555  -3.07034
   D429       0.04139  -0.00002  -0.00917   0.00000  -0.00917   0.03222
   D430       0.05347  -0.00018  -0.01120   0.00000  -0.01120   0.04227
   D431      -3.12354  -0.00017  -0.01482   0.00000  -0.01482  -3.13836
   D432      -0.09102  -0.00006   0.00608   0.00000   0.00608  -0.08494
   D433       2.00878  -0.00012   0.00603   0.00000   0.00603   2.01481
   D434      -2.18824  -0.00001   0.00614   0.00000   0.00614  -2.18209
   D435       3.08427  -0.00007   0.00941   0.00000   0.00941   3.09368
   D436      -1.09912  -0.00013   0.00936   0.00000   0.00936  -1.08976
   D437       0.98705  -0.00002   0.00947   0.00000   0.00947   0.99653
   D438      -2.37898  -0.00003   0.00957   0.00000   0.00957  -2.36942
   D439      -0.28961   0.00009   0.01081   0.00000   0.01081  -0.27880
   D440       1.81523   0.00004   0.01288   0.00000   0.01288   1.82811
   D441       0.72884  -0.00002   0.00625   0.00000   0.00626   0.73510
   D442       2.81821   0.00009   0.00750   0.00000   0.00750   2.82571
   D443      -1.36013   0.00005   0.00957   0.00000   0.00957  -1.35056
   D444      -0.00498   0.00005   0.00405   0.00000   0.00404  -0.00093
   D445       3.11046   0.00003   0.00306   0.00000   0.00306   3.11353
   D446      -3.12783   0.00015   0.00655   0.00000   0.00655  -3.12129
   D447      -0.01239   0.00013   0.00556   0.00000   0.00556  -0.00683
   D448       2.42772  -0.00005  -0.00225   0.00000  -0.00225   2.42547
   D449      -1.77161  -0.00005  -0.00175   0.00000  -0.00175  -1.77336
   D450       0.33546   0.00000  -0.00082   0.00000  -0.00082   0.33463
   D451      -0.68901  -0.00002  -0.00129   0.00000  -0.00129  -0.69029
   D452       1.39485  -0.00003  -0.00079   0.00000  -0.00079   1.39406
   D453      -2.78127   0.00002   0.00014   0.00000   0.00014  -2.78113
   D454       2.05697  -0.00002   0.00376   0.00000   0.00375   2.06072
   D455      -2.14358   0.00004   0.00553   0.00000   0.00553  -2.13805
   D456      -0.05001   0.00002   0.00534   0.00000   0.00534  -0.04467
   D457      -1.10947  -0.00005   0.00280   0.00000   0.00280  -1.10667
   D458       0.97316   0.00001   0.00458   0.00000   0.00458   0.97774
   D459       3.06673   0.00000   0.00439   0.00000   0.00439   3.07113
   D460      -3.10051   0.00001   0.00939   0.00000   0.00939  -3.09112
   D461      -0.03547   0.00004   0.00512   0.00000   0.00512  -0.03035
   D462       0.05028   0.00014   0.01306   0.00000   0.01306   0.06334
   D463       3.11532   0.00017   0.00879   0.00000   0.00879   3.12411
   D464       1.96843  -0.00017  -0.02365   0.00000  -0.02365   1.94478
   D465      -2.23665   0.00003  -0.01918   0.00000  -0.01919  -2.25584
   D466      -0.14302  -0.00004  -0.02012   0.00000  -0.02012  -0.16314
   D467      -1.09972  -0.00020  -0.01954   0.00000  -0.01954  -1.11926
   D468       0.97839   0.00000  -0.01507   0.00000  -0.01507   0.96331
   D469       3.07202  -0.00008  -0.01601   0.00000  -0.01601   3.05601
   D470      -1.66943   0.00003   0.01743   0.00000   0.01743  -1.65200
   D471       0.43617  -0.00003   0.01619   0.00000   0.01619   0.45236
   D472       2.52903   0.00001   0.01571   0.00000   0.01571   2.54475
   D473       1.39900   0.00008   0.01336   0.00000   0.01336   1.41236
   D474      -2.77858   0.00002   0.01212   0.00000   0.01211  -2.76646
   D475      -0.68571   0.00005   0.01164   0.00000   0.01164  -0.67407
   D476       0.01232  -0.00008  -0.01183   0.00000  -0.01184   0.00049
   D477      -3.10591   0.00015   0.00437   0.00000   0.00437  -3.10153
   D478       3.12896  -0.00019  -0.01198   0.00000  -0.01199   3.11698
   D479       0.01073   0.00004   0.00422   0.00000   0.00422   0.01496
   D480      -0.41466   0.00027   0.05547   0.00000   0.05545  -0.35921
   D481       1.70264  -0.00019   0.04624   0.00000   0.04625   1.74889
   D482      -2.50243   0.00029   0.05483   0.00000   0.05483  -2.44759
   D483       2.70465   0.00005   0.04004   0.00000   0.04001   2.74466
   D484      -1.46123  -0.00041   0.03081   0.00000   0.03081  -1.43042
   D485       0.61688   0.00007   0.03940   0.00000   0.03940   0.65628
   D486       0.00779  -0.00030  -0.00296   0.00000  -0.00297   0.00482
   D487       2.09605  -0.00016   0.00132   0.00000   0.00132   2.09737
   D488      -2.10151  -0.00009   0.00122   0.00000   0.00122  -2.10029
   D489      -3.11149  -0.00008   0.01241   0.00000   0.01242  -3.09907
   D490      -1.02322   0.00006   0.01670   0.00000   0.01670  -1.00651
   D491       1.06241   0.00014   0.01660   0.00000   0.01660   1.07901
         Item               Value     Threshold  Converged?
 Maximum Force            0.001418     0.000450     NO 
 RMS     Force            0.000117     0.000300     YES
 Maximum Displacement     0.148687     0.001800     NO 
 RMS     Displacement     0.017004     0.001200     NO 
 Predicted change in Energy=-3.705439D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:44:09 2016, MaxMem=  2952790016 cpu:         7.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833709   -0.606294    1.681100
      2          6           0       -2.098289    1.103061   -1.346133
      3          8           0       -2.649257    0.118660   -1.869317
      4          7           0       -0.803493    1.154874   -0.930534
      5          1           0       -2.647147    2.044335   -1.142823
      6          6           0       -0.262197    2.328584   -0.244149
      7          1           0       -1.019715    3.124213   -0.219477
      8          1           0        0.022321    2.060156    0.786317
      9          1           0        0.632262    2.692002   -0.776036
     10          6           0        0.109315    0.022014   -1.102733
     11          1           0        0.682857   -0.124276   -0.174033
     12          1           0       -0.470685   -0.884139   -1.321389
     13          1           0        0.814347    0.217759   -1.927488
     14          6           0       -1.984348   -4.023141    2.610181
     15          8           0       -2.106398   -3.875413    3.838266
     16          7           0       -2.928170   -3.715922    1.679292
     17          1           0       -1.052455   -4.413050    2.154618
     18          6           0       -4.230377   -3.160253    2.056130
     19          1           0       -4.500672   -2.368012    1.339972
     20          1           0       -5.008753   -3.941050    2.030325
     21          1           0       -4.168359   -2.737461    3.067232
     22          6           0       -2.681088   -3.892693    0.248026
     23          1           0       -3.389060   -4.624630   -0.174241
     24          1           0       -2.819145   -2.930731   -0.272708
     25          1           0       -1.652132   -4.245444    0.091717
     26          6           0        1.535335    0.380261    2.622728
     27          8           0        1.348987    1.395522    3.314853
     28          7           0        1.170776   -0.885555    2.964261
     29          1           0        2.020700    0.427211    1.627990
     30          6           0        1.487310   -2.031524    2.111635
     31          1           0        2.236232   -2.677638    2.599719
     32          1           0        0.577184   -2.627357    1.935877
     33          1           0        1.878541   -1.676734    1.148301
     34          6           0        0.531728   -1.170813    4.251403
     35          1           0        1.281938   -1.479413    4.999445
     36          1           0        0.012446   -0.271096    4.605111
     37          1           0       -0.191502   -1.988518    4.118443
     38          6           0       -4.609324    1.208912    2.902390
     39          8           0       -4.868255    1.851111    1.870669
     40          7           0       -3.510678    1.380836    3.687119
     41          1           0       -5.266427    0.394137    3.268859
     42          6           0       -2.489503    2.383958    3.371658
     43          1           0       -2.558570    2.652159    2.309179
     44          1           0       -2.626676    3.286673    3.989950
     45          1           0       -1.495608    1.959742    3.579590
     46          6           0       -3.266532    0.540415    4.859739
     47          1           0       -4.076837   -0.194316    4.962894
     48          1           0       -2.307563    0.008337    4.742419
     49          1           0       -3.214583    1.160668    5.769547
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486551   0.000000
     3  O    3.714315   1.243516   0.000000
     4  N    3.314165   1.360847   2.315578   0.000000
     5  H    3.957532   1.108412   2.058160   2.057977   0.000000
     6  C    3.845744   2.467288   3.636343   1.463462   2.564449
     7  H    4.265145   2.552985   3.796147   2.104911   2.160379
     8  H    3.369783   3.156004   4.237821   2.109284   3.293614
     9  H    4.795549   3.210242   4.311116   2.109034   3.362816
    10  C    3.452512   2.470106   2.864736   1.465007   3.418987
    11  H    3.163379   3.258059   3.746464   2.101845   4.090276
    12  H    3.309075   2.568788   2.460083   2.102642   3.653059
    13  H    4.551173   3.099223   3.465510   2.118846   3.991744
    14  C    3.544112   6.476369   6.136980   6.383018   7.165097
    15  O    3.926177   7.187716   6.987405   7.052858   7.755455
    16  N    3.296609   5.750174   5.232059   5.920312   6.420582
    17  H    3.914839   6.616381   6.267234   6.370394   7.423879
    18  C    3.522410   5.856367   5.353536   6.267696   6.310915
    19  H    3.214453   5.003495   4.462154   5.588834   5.391534
    20  H    4.617732   6.731591   6.103742   7.240120   7.174321
    21  H    3.451641   6.205852   5.902086   6.515729   6.550132
    22  C    3.684042   5.276225   4.535979   5.512921   6.097861
    23  H    4.691314   5.987142   5.091109   6.376504   6.779652
    24  H    3.192405   4.235959   3.446274   4.603016   5.053510
    25  H    3.975238   5.556345   4.887260   5.561351   6.486560
    26  C    3.634613   5.429320   6.144730   4.323865   5.868702
    27  O    4.099508   5.804656   6.670229   4.765961   6.021704
    28  N    3.278936   5.763755   6.242161   4.819804   6.326842
    29  H    3.990918   5.125256   5.842505   3.879639   5.664035
    30  C    3.639480   5.885432   6.130454   4.965451   6.655664
    31  H    4.658192   6.975064   7.187460   6.032476   7.755711
    32  H    3.156266   5.643206   5.694738   4.942455   6.457509
    33  H    3.900066   5.455698   5.729783   4.419600   6.291061
    34  C    3.538423   6.589378   7.017452   5.834733   7.038473
    35  H    4.634761   7.639468   8.073910   6.815654   8.098269
    36  H    3.474261   6.462261   7.011048   5.774298   6.743397
    37  H    3.247773   6.561653   6.806911   5.978931   7.069301
    38  C    3.534199   4.936239   5.272543   5.401720   4.572944
    39  O    3.909379   4.310465   4.681115   4.985356   3.748572
    40  N    3.284056   5.235039   5.762735   5.357483   4.951187
    41  H    3.912211   5.642501   5.772895   6.175063   5.389501
    42  C    3.497093   4.904212   5.711823   4.781436   4.529981
    43  H    3.396678   3.996607   4.887399   3.977172   3.506225
    44  H    4.595082   5.789744   6.660918   5.663897   5.281021
    45  H    3.209847   5.035859   5.866096   4.633363   4.861521
    46  C    3.670377   6.339890   6.770458   6.322292   6.219016
    47  H    3.996438   6.738075   6.986776   6.875142   6.658479
    48  H    3.158162   6.189724   6.621479   5.979897   6.236720
    49  H    4.663086   7.202939   7.730305   7.120707   6.991689
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098849   0.000000
     8  H    1.102209   1.797131   0.000000
     9  H    1.102285   1.795994   1.792262   0.000000
    10  C    2.489068   3.417381   2.780307   2.740264   0.000000
    11  H    2.629556   3.667901   2.475949   2.880345   1.101288
    12  H    3.394924   4.193153   3.654361   3.781890   1.097872
    13  H    2.906572   3.837781   3.374384   2.735119   1.102545
    14  C    7.173383   7.747397   6.660308   7.962805   5.876431
    15  O    7.652240   8.163389   7.005485   8.480742   6.671791
    16  N    6.880632   7.350848   6.547203   7.730899   5.562207
    17  H    7.199182   7.902387   6.702968   7.868212   5.624041
    18  C    7.152977   7.414934   6.852046   8.118825   6.240046
    19  H    6.521667   6.686814   6.353949   7.511874   5.738556
    20  H    8.186045   8.419737   7.929295   9.148447   7.191422
    21  H    7.203344   7.421296   6.766202   8.203398   6.580411
    22  C    6.693098   7.226042   6.560075   7.442124   4.993579
    23  H    7.624261   8.103111   7.566145   8.370561   5.889994
    24  H    5.848008   6.316892   5.839898   6.616697   4.240698
    25  H    6.727747   7.403286   6.561010   7.355244   4.768711
    26  C    3.904621   4.704857   2.912672   4.208477   4.005113
    27  O    4.016593   4.592451   2.931770   4.350853   4.789403
    28  N    4.762142   5.568902   3.839218   5.203722   4.300095
    29  H    3.511658   4.464424   2.714487   3.582789   3.357741
    30  C    5.255573   6.188771   4.543623   5.601915   4.055620
    31  H    6.276305   7.225686   5.535027   6.542284   5.051737
    32  H    5.478908   6.346354   4.858204   5.971021   4.058476
    33  H    4.750184   5.772330   4.188189   4.933775   3.329123
    34  C    5.752051   6.390852   4.765026   6.340867   5.501640
    35  H    6.661867   7.329947   5.644965   7.153947   6.392645
    36  H    5.509001   5.989168   4.474150   6.174210   5.716187
    37  H    6.137963   6.755998   5.247909   6.822154   5.602983
    38  C    5.481960   5.128325   5.162801   6.573020   6.302008
    39  O    5.090797   4.560785   5.013707   6.161805   6.079715
    40  N    5.187073   4.950328   4.621494   6.229194   6.155764
    41  H    6.412927   6.136478   6.075317   7.512382   6.938869
    42  C    4.247119   3.950253   3.619129   5.200353   5.687954
    43  H    3.449277   2.997500   3.054599   4.438642   5.067191
    44  H    4.943308   4.508657   4.334143   5.804217   6.639207
    45  H    4.034642   4.001922   3.180655   4.902603   5.315517
    46  C    6.186538   6.125572   5.451507   7.182749   6.871402
    47  H    6.930354   6.871360   6.271326   7.965033   7.373093
    48  H    5.867958   5.998970   5.028823   6.804261   6.325132
    49  H    6.800379   6.673931   6.009925   7.745182   7.718359
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795683   0.000000
    13  H    1.791335   1.798011   0.000000
    14  C    5.483337   5.253737   6.812369   0.000000
    15  O    6.160318   6.184280   7.650407   1.242946   0.000000
    16  N    5.419802   4.802324   6.518370   1.360786   2.315581
    17  H    5.179527   4.987413   6.449258   1.108147   2.057795
    18  C    6.191176   5.542889   7.261503   2.469048   2.863346
    19  H    5.847696   5.052279   6.753661   3.268756   3.774424
    20  H    7.198707   6.416600   8.177314   3.080584   3.420032
    21  H    6.392874   6.030555   7.649046   2.575223   2.478126
    22  C    5.069046   4.049734   5.817795   2.466220   3.635986
    23  H    6.069077   4.880997   6.647649   3.176163   4.278640
    24  H    4.488869   3.286873   5.084638   3.193946   4.277913
    25  H    4.744136   3.832891   5.484605   2.549989   3.792085
    26  C    2.967009   4.602052   4.609847   5.637223   5.731537
    27  O    3.863397   5.477481   5.399546   6.400749   6.324271
    28  N    3.265960   4.589247   5.027280   4.463701   4.521395
    29  H    2.311114   4.077435   3.760396   6.067186   6.358525
    30  C    3.083670   4.115324   4.671902   4.033299   4.392712
    31  H    4.077540   5.091083   5.558838   4.429874   4.671949
    32  H    3.275409   3.840133   4.803803   2.994052   3.518287
    33  H    2.363969   3.499491   3.765911   4.750224   5.286761
    34  C    4.550007   5.669482   6.339298   4.142466   3.800692
    35  H    5.381465   6.586272   7.147127   4.779933   4.309289
    36  H    4.828170   5.977679   6.599763   4.695186   4.250724
    37  H    4.760804   5.557821   6.514037   3.103038   2.702905
    38  C    6.264898   6.272919   7.329824   5.860911   5.743767
    39  O    6.236811   6.083540   7.027504   6.585639   6.655251
    40  N    5.895726   6.281467   7.182089   5.717731   5.442701
    41  H    6.893202   6.760437   8.000559   5.542405   5.342196
    42  C    5.378386   6.064716   6.609750   6.471936   6.288420
    43  H    4.937791   5.481395   5.937358   6.706711   6.719506
    44  H    6.318729   7.089027   7.501663   7.466574   7.182560
    45  H    4.814408   5.758275   6.220796   6.080585   5.872734
    46  C    6.432600   6.931988   7.926167   5.246957   4.678552
    47  H    7.003400   7.278214   8.459955   4.957184   4.324106
    48  H    5.756014   6.398469   7.367350   4.572060   3.992678
    49  H    7.222690   7.873474   8.738747   6.194106   5.506363
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056752   0.000000
    18  C    1.465100   3.417366   0.000000
    19  H    2.098752   4.090969   1.101629   0.000000
    20  H    2.121964   3.986292   1.102805   1.791418   0.000000
    21  H    2.102815   3.653672   1.097692   1.797318   1.797238
    22  C    1.463155   2.560920   2.491186   2.613022   2.932056
    23  H    2.115126   3.305764   2.797637   2.936128   2.819716
    24  H    2.106826   3.348189   2.732717   2.396857   3.334530
    25  H    2.104533   2.154823   3.418173   3.632777   3.888156
    26  C    6.131204   5.467322   6.789677   6.755135   7.864461
    27  O    6.862651   6.391601   7.312234   7.230688   8.399396
    28  N    5.144267   4.247528   5.930549   6.082871   6.956641
    29  H    6.454417   5.757581   7.220053   7.101022   8.285939
    30  C    4.745586   3.481942   5.828298   6.046869   6.771391
    31  H    5.347548   3.745027   6.507338   6.860664   7.376329
    32  H    3.679445   2.427399   4.838500   5.119276   5.739111
    33  H    5.248305   4.134106   6.351682   6.419420   7.303417
    34  C    5.006419   4.173517   5.608453   5.935888   6.580602
    35  H    5.809509   4.706236   6.471008   6.900719   7.378896
    36  H    5.392074   4.928966   5.731150   5.952010   6.731309
    37  H    4.052497   3.236696   4.683867   5.141290   5.601653
    38  C    5.345675   6.694545   4.466471   3.904785   5.238526
    39  O    5.898509   7.340345   5.055200   4.268227   5.796064
    40  N    5.508867   6.477694   4.878481   4.532444   5.771625
    41  H    4.988662   6.489078   3.895869   3.454917   4.515994
    42  C    6.345476   7.053057   5.958148   5.545608   6.939129
    43  H    6.409822   7.225610   6.053355   5.469300   7.039287
    44  H    7.380133   8.070461   6.919130   6.519947   7.858396
    45  H    6.154390   6.545181   6.001187   5.725011   7.040011
    46  C    5.324108   6.062724   4.741746   4.729778   5.578928
    47  H    4.950069   5.901780   4.155675   4.246192   4.848344
    48  H    4.861893   5.274531   4.577481   4.693976   5.499958
    49  H    6.371291   6.986332   5.787198   5.807473   6.574827
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390348   0.000000
    23  H    3.830909   1.102391   0.000000
    24  H    3.607344   1.102540   1.789915   0.000000
    25  H    4.178408   1.098916   1.797619   1.795326   0.000000
    26  C    6.515358   6.455662   7.557886   6.189322   6.161421
    27  O    6.898113   7.322031   8.418141   6.997169   7.156522
    28  N    5.652125   5.590856   6.680044   5.529934   5.244919
    29  H    7.098663   6.532433   7.618047   6.189711   6.138692
    30  C    5.779109   4.930774   5.977325   5.003920   4.340232
    31  H    6.421910   5.584520   6.567309   5.819942   4.885434
    32  H    4.879781   3.881528   4.916583   4.062626   3.314964
    33  H    6.432140   5.148901   6.179549   5.065572   4.492248
    34  C    5.093865   5.810151   6.847464   5.898579   5.614765
    35  H    5.917927   6.641196   7.647067   6.835261   6.351810
    36  H    5.091871   6.273379   7.305184   6.235758   6.239951
    37  H    4.181070   4.980367   5.966624   5.203314   4.841661
    38  C    3.974354   6.065486   6.707080   5.515672   6.811378
    39  O    4.793393   6.356725   6.950173   5.626627   7.118715
    40  N    4.216298   6.350251   7.140764   5.894748   6.930810
    41  H    3.324653   5.846907   6.369260   5.439359   6.684539
    42  C    5.398163   7.013568   7.905878   6.452595   7.443667
    43  H    5.675744   6.862831   7.733612   6.156516   7.301760
    44  H    6.286364   8.096187   8.972760   7.540782   8.536904
    45  H    5.428611   6.837812   7.812193   6.364642   7.119978
    46  C    3.843285   6.423635   7.213436   6.212166   6.945845
    47  H    3.173247   6.152730   6.818422   6.039973   6.783745
    48  H    3.715941   5.962980   6.841606   5.835352   6.336661
    49  H    4.838141   7.503884   8.296309   7.307856   7.994063
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242786   0.000000
    28  N    1.360823   2.314732   0.000000
    29  H    1.107829   2.057749   2.057023   0.000000
    30  C    2.465812   3.634764   1.463014   2.561991   0.000000
    31  H    3.137282   4.229569   2.116519   3.260491   1.102984
    32  H    3.230416   4.322130   2.108032   3.392480   1.101925
    33  H    2.554007   3.796462   2.103474   2.162613   1.098613
    34  C    2.462852   2.851510   1.465091   3.413651   2.496511
    35  H    3.028429   3.332806   2.122970   3.943056   2.947278
    36  H    2.583274   2.495741   2.100400   3.658410   3.389949
    37  H    3.290934   3.804023   2.098683   4.114844   2.616780
    38  C    6.206586   5.975484   6.148185   6.796497   6.949437
    39  O    6.613241   6.399010   6.719760   7.038756   7.451586
    40  N    5.253220   4.873924   5.251196   5.978758   6.253498
    41  H    6.832396   6.690933   6.570234   7.469656   7.268835
    42  C    4.557962   3.964119   4.924767   5.216433   6.074470
    43  H    4.692536   4.226052   5.181947   5.136548   6.192339
    44  H    5.257267   4.453999   5.734123   5.945879   6.981129
    45  H    3.549219   2.912069   3.947650   4.303697   5.194506
    46  C    5.299792   4.941750   5.031494   6.197728   6.063494
    47  H    6.107618   5.889243   5.657719   6.977667   6.516498
    48  H    4.404462   4.163242   4.007459   5.348736   5.048081
    49  H    5.750932   5.187181   5.593570   6.715552   6.758565
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787639   0.000000
    33  H    1.798991   1.793736   0.000000
    34  C    2.811391   2.735918   3.420395   0.000000
    35  H    2.846947   3.346625   3.902074   1.103456   0.000000
    36  H    3.841649   3.604956   4.172249   1.097385   1.796423
    37  H    2.945387   2.400539   3.633735   1.099719   1.790636
    38  C    7.877723   6.523111   7.314107   5.823516   6.806739
    39  O    8.456644   7.050797   7.647664   6.630214   7.662017
    40  N    7.119033   5.986909   6.696118   4.813561   5.733444
    41  H    8.134706   6.712232   7.735362   6.085480   7.027531
    42  C    6.967656   6.048084   6.364931   4.747440   5.639069
    43  H    7.175046   6.151878   6.306735   5.285574   6.249553
    44  H    7.820078   7.032758   7.280615   5.469283   6.245952
    45  H    6.032584   5.295256   5.524491   3.789696   4.643116
    46  C    6.763429   5.775630   6.720290   4.210125   4.978735
    47  H    7.183755   6.061554   7.226009   4.764309   5.510833
    48  H    5.696640   4.810959   5.768935   3.113369   3.894095
    49  H    7.381855   6.589663   7.439534   4.666413   5.270842
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796658   0.000000
    38  C    5.142999   5.587441   0.000000
    39  O    5.983492   6.455018   1.242543   0.000000
    40  N    3.997998   4.749264   1.361022   2.315959   0.000000
    41  H    5.485855   5.670423   1.109028   2.058215   2.056981
    42  C    3.851035   4.995703   2.468721   2.862753   1.465799
    43  H    4.519607   5.514738   2.576908   2.483670   2.102734
    44  H    4.472260   5.811559   3.070955   3.402479   2.122588
    45  H    2.881416   4.192828   3.273770   3.782455   2.099334
    46  C    3.387489   4.049794   2.466007   3.635653   1.463199
    47  H    4.105623   4.362119   2.549170   3.791037   2.104576
    48  H    2.340807   2.975649   3.182011   4.266135   2.108292
    49  H    3.717468   4.667176   3.188764   4.290989   2.114865
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417786   0.000000
    43  H    3.654058   1.097982   0.000000
    44  H    3.981836   1.102722   1.797843   0.000000
    45  H    4.094722   1.100465   1.795348   1.791217   0.000000
    46  C    2.559663   2.493353   3.386153   2.950912   2.605656
    47  H    2.152012   3.420403   4.177291   3.894466   3.635414
    48  H    3.327927   2.748757   3.601869   3.378687   2.412348
    49  H    3.324316   2.787840   3.824793   2.834165   2.896429
                   46         47         48         49
    46  C    0.000000
    47  H    1.098665   0.000000
    48  H    1.102948   1.794438   0.000000
    49  H    1.102345   1.797263   1.790403   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2139820      0.1939017      0.1842583
 Leave Link  202 at Mon Nov 14 02:44:09 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1212497023 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839632032 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9372864991 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4021
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.43D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     210
 GePol: Fraction of low-weight points (<1% of avg)   =       5.22%
 GePol: Cavity surface area                          =    467.191 Ang**2
 GePol: Cavity volume                                =    457.836 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040178941 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9332686050 Hartrees.
 Leave Link  301 at Mon Nov 14 02:44:09 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37493.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:44:10 2016, MaxMem=  2952790016 cpu:        15.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:44:11 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Lowest energy guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000056    0.000755    0.000015
         Rot=    1.000000   -0.000046    0.000009   -0.000070 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 B after Tr=    -0.000983   -0.010847   -0.000132
         Rot=    0.999999    0.000656   -0.000127    0.001004 Ang=   0.14 deg.
 Guess basis will be translated and rotated to current coordinates.
 CkInt1:  FT= 6.46D-02
 Max alpha theta=  0.959 degrees.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 02:44:12 2016, MaxMem=  2952790016 cpu:        13.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48505323.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.33D-15 for   3353.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.09D-15 for   1936    845.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.44D-15 for   3219.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.75D-11 for   1988   1916.
 E= -1013.45129816935    
 DIIS: error= 2.59D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45129816935     IErMin= 1 ErrMin= 2.59D-06
 ErrMax= 2.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.39D-09 BMatP= 8.39D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=    16.076 Goal=   None    Shift=    0.000
 RMSDP=1.21D-06 MaxDP=7.16D-05              OVMax= 2.27D-05

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.21D-06    CP:  1.00D+00
 E= -1013.45129817599     Delta-E=       -0.000000006632 Rises=F Damp=F
 DIIS: error= 1.77D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45129817599     IErMin= 2 ErrMin= 1.77D-06
 ErrMax= 1.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-09 BMatP= 8.39D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.322D+00 0.678D+00
 Coeff:      0.322D+00 0.678D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.30D-07 MaxDP=2.64D-05 DE=-6.63D-09 OVMax= 2.95D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.22D-07    CP:  1.00D+00  9.49D-01
 E= -1013.45129817239     Delta-E=        0.000000003592 Rises=F Damp=F
 DIIS: error= 3.14D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45129817599     IErMin= 2 ErrMin= 1.77D-06
 ErrMax= 3.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.64D-09 BMatP= 3.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.374D-01 0.593D+00 0.370D+00
 Coeff:      0.374D-01 0.593D+00 0.370D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.24D-07 MaxDP=1.77D-05 DE= 3.59D-09 OVMax= 2.46D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.28D-08    CP:  1.00D+00  9.70D-01  3.64D-01
 E= -1013.45129817844     Delta-E=       -0.000000006049 Rises=F Damp=F
 DIIS: error= 7.12D-07 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45129817844     IErMin= 4 ErrMin= 7.12D-07
 ErrMax= 7.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-10 BMatP= 3.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.721D-02 0.345D+00 0.240D+00 0.408D+00
 Coeff:      0.721D-02 0.345D+00 0.240D+00 0.408D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.38D-08 MaxDP=3.50D-06 DE=-6.05D-09 OVMax= 5.63D-06

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.51D-08    CP:  1.00D+00  9.74D-01  4.11D-01  6.12D-01
 E= -1013.45129817862     Delta-E=       -0.000000000175 Rises=F Damp=F
 DIIS: error= 2.02D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45129817862     IErMin= 5 ErrMin= 2.02D-07
 ErrMax= 2.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-11 BMatP= 2.20D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-03 0.134D+00 0.975D-01 0.246D+00 0.523D+00
 Coeff:     -0.126D-03 0.134D+00 0.975D-01 0.246D+00 0.523D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.15D-08 MaxDP=8.85D-07 DE=-1.75D-10 OVMax= 1.02D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.32D-09    CP:  1.00D+00  9.75D-01  4.03D-01  5.95D-01  6.70D-01
 E= -1013.45129817865     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 3.00D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45129817865     IErMin= 6 ErrMin= 3.00D-08
 ErrMax= 3.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-13 BMatP= 1.43D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.471D-03 0.544D-01 0.407D-01 0.113D+00 0.288D+00 0.505D+00
 Coeff:     -0.471D-03 0.544D-01 0.407D-01 0.113D+00 0.288D+00 0.505D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.10D-09 MaxDP=1.09D-07 DE=-3.32D-11 OVMax= 1.34D-07

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45129818     A.U. after    6 cycles
            NFock=  6  Conv=0.31D-08     -V/T= 2.0213
 KE= 9.923490562694D+02 PE=-6.027390053565D+03 EE= 2.173656430511D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:45:30 2016, MaxMem=  2952790016 cpu:       881.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37493.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 02:45:38 2016, MaxMem=  2952790016 cpu:        96.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:45:39 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:46:15 2016, MaxMem=  2952790016 cpu:       439.7
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.20517482D+00-2.67685288D+00 3.27257287D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000077951    0.000064995   -0.000058042
      2        6           0.000152673   -0.000034758    0.000083529
      3        8           0.000021615    0.000047748   -0.000111061
      4        7           0.000027571    0.000045831    0.000001045
      5        1          -0.000013617    0.000032229    0.000036016
      6        6           0.000077068   -0.000087618   -0.000003001
      7        1           0.000019323    0.000024520    0.000066056
      8        1          -0.000060281    0.000004173   -0.000064064
      9        1          -0.000010312    0.000059833    0.000053548
     10        6           0.000021449    0.000011739   -0.000005309
     11        1          -0.000008152    0.000059227    0.000040725
     12        1           0.000012532    0.000047244   -0.000012900
     13        1           0.000035238    0.000024537    0.000028031
     14        6          -0.000060090   -0.000018341   -0.000008650
     15        8           0.000007383   -0.000036983   -0.000001767
     16        7          -0.000030537    0.000015318   -0.000045222
     17        1           0.000017156    0.000024340   -0.000022512
     18        6           0.000000396    0.000003554   -0.000039342
     19        1          -0.000001300   -0.000005620   -0.000035408
     20        1           0.000002063   -0.000006443   -0.000055094
     21        1          -0.000010439   -0.000010864   -0.000053471
     22        6          -0.000008494    0.000018570   -0.000023541
     23        1           0.000031880    0.000010534   -0.000055374
     24        1           0.000044917    0.000002133   -0.000028008
     25        1           0.000020236    0.000016303   -0.000028661
     26        6           0.000035924    0.000075154    0.000108038
     27        8           0.000028721    0.000052876    0.000024571
     28        7           0.000011570    0.000011010    0.000010029
     29        1          -0.000039113    0.000021966    0.000018322
     30        6          -0.000040504   -0.000067457    0.000000312
     31        1           0.000034907    0.000031671   -0.000010286
     32        1          -0.000019615   -0.000034397   -0.000010142
     33        1          -0.000016621    0.000018040    0.000021071
     34        6          -0.000034152   -0.000080365    0.000024085
     35        1          -0.000019246   -0.000003860    0.000000424
     36        1          -0.000035251   -0.000021176   -0.000010916
     37        1          -0.000007442   -0.000031093    0.000009783
     38        6          -0.000063446   -0.000135360    0.000076351
     39        8           0.000019972    0.000005425   -0.000057975
     40        7          -0.000031714    0.000218963    0.000020835
     41        1          -0.000041639   -0.000035926   -0.000026081
     42        6          -0.000208820   -0.000243942    0.000133894
     43        1          -0.000051120    0.000022904    0.000028883
     44        1           0.000024564    0.000045381   -0.000052916
     45        1           0.000041278   -0.000026779    0.000061642
     46        6           0.000161387   -0.000073755   -0.000043157
     47        1           0.000002063   -0.000027760   -0.000004061
     48        1          -0.000089210   -0.000001907    0.000046742
     49        1          -0.000028725   -0.000031813   -0.000026972
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000243942 RMS     0.000055658
 Leave Link  716 at Mon Nov 14 02:46:15 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000104896 RMS     0.000013259
 Search for a local minimum.
 Step number  57 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .13259D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   50   51   52
                                                     53   55   56   57
 ITU=  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---   -0.00434   0.00000   0.00036   0.00091   0.00131
     Eigenvalues ---    0.00183   0.00210   0.00315   0.00357   0.00394
     Eigenvalues ---    0.00543   0.00590   0.00609   0.00626   0.00710
     Eigenvalues ---    0.00786   0.00812   0.00888   0.01008   0.01035
     Eigenvalues ---    0.01098   0.01146   0.01209   0.01256   0.01280
     Eigenvalues ---    0.01413   0.01466   0.01511   0.01574   0.01687
     Eigenvalues ---    0.01689   0.01755   0.01787   0.01867   0.01898
     Eigenvalues ---    0.01926   0.02013   0.02128   0.02253   0.02263
     Eigenvalues ---    0.02388   0.02442   0.02656   0.02910   0.03096
     Eigenvalues ---    0.03251   0.03668   0.03775   0.04337   0.04568
     Eigenvalues ---    0.04772   0.05142   0.05604   0.05890   0.06133
     Eigenvalues ---    0.06158   0.06339   0.06469   0.06679   0.06893
     Eigenvalues ---    0.06986   0.07231   0.07823   0.07965   0.07985
     Eigenvalues ---    0.08107   0.08218   0.08225   0.08317   0.08659
     Eigenvalues ---    0.08715   0.08763   0.08983   0.09119   0.09498
     Eigenvalues ---    0.09553   0.09777   0.09870   0.10070   0.10252
     Eigenvalues ---    0.10365   0.10490   0.10579   0.10916   0.10997
     Eigenvalues ---    0.11209   0.11258   0.11502   0.11622   0.13170
     Eigenvalues ---    0.13515   0.14077   0.14639   0.15016   0.15302
     Eigenvalues ---    0.15429   0.15695   0.20000   0.22299   0.22676
     Eigenvalues ---    0.23551   0.24204   0.24754   0.25480   0.25882
     Eigenvalues ---    0.27029   0.27592   0.28344   0.29261   0.29574
     Eigenvalues ---    0.29835   0.32132   0.32709   0.32820   0.32824
     Eigenvalues ---    0.32898   0.33311   0.33344   0.33368   0.33374
     Eigenvalues ---    0.33402   0.33420   0.33445   0.33518   0.33693
     Eigenvalues ---    0.33792   0.33815   0.33850   0.33927   0.33993
     Eigenvalues ---    0.34007   0.34069   0.34121   0.37397   0.39019
     Eigenvalues ---    0.40535   0.42386   0.85917   0.86072   0.86140
     Eigenvalues ---    0.87502
 Eigenvalue     1 is  -4.34D-03 should be greater than     0.000000 Eigenvector:
                          R21       R20      D430       R23       R1
   1                    0.30760   0.18486   0.17829  -0.15416   0.14516
                         A233      D431       R2       D482       R22
   1                    0.13260   0.13215   0.13054  -0.13052  -0.12924
 Eigenvalue     2 is   1.31D-07 Eigenvector:
                         D381      D375      D373      D383      D369
   1                   -0.20447  -0.20128  -0.19983  -0.19972  -0.19671
                         D371      D397      D379      D399      D377
   1                   -0.19495  -0.19347  -0.19090  -0.19057  -0.18890
 Use linear search instead of GDIIS.
 RFO step:  Lambda=-4.34111719D-03 EMin=-4.34110825D-03
 I=     1 Eig=   -4.34D-03 Dot1=  3.28D-06
 I=     1 Stepn=  6.00D-01 RXN=   6.00D-01 EDone=F
 Mixed    1 eigenvectors in step.  Raw Step.Grad=  3.28D-06.
 RFO eigenvector is Hessian eigenvector with negative curvature.
 Taking step of  6.00D-01 in eigenvector direction(s).  Step.Grad=  3.80D-06.
 Quartic linear search produced a step of -0.00413.
 Maximum step size (   0.334) exceeded in Quadratic search.
    -- Step size not scaled.
 Iteration  1 RMS(Cart)=  0.02149946 RMS(Int)=  0.00069255
 Iteration  2 RMS(Cart)=  0.00049049 RMS(Int)=  0.00015847
 Iteration  3 RMS(Cart)=  0.00000058 RMS(Int)=  0.00015847
 ITry= 1 IFail=0 DXMaxC= 2.80D-01 DCOld= 1.00D+10 DXMaxT= 3.34D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58863   0.00002  -0.00004   0.08710   0.08670   6.67532
    R2        6.26286   0.00002   0.00003   0.07832   0.07796   6.34082
    R3        7.26740  -0.00002   0.00018   0.01775   0.01789   7.28529
    R4        6.36797  -0.00003   0.00024   0.02695   0.02756   6.39553
    R5        6.52430   0.00004  -0.00003   0.04782   0.04788   6.57218
    R6        5.97792  -0.00001   0.00011  -0.01274  -0.01269   5.96523
    R7        6.69740   0.00001  -0.00003   0.03320   0.03310   6.73050
    R8        6.22969   0.00000  -0.00001  -0.00570  -0.00576   6.22393
    R9        6.65639   0.00001  -0.00001  -0.00623  -0.00630   6.65009
   R10        6.07444   0.00001   0.00002  -0.00141  -0.00135   6.07309
   R11        6.96183  -0.00001   0.00001   0.01678   0.01674   6.97857
   R12        6.03277   0.00000   0.00004   0.01431   0.01436   6.04713
   R13        6.86842   0.00004  -0.00006   0.05661   0.05659   6.92502
   R14        6.19629   0.00000   0.00003   0.04026   0.04036   6.23665
   R15        6.87762  -0.00002   0.00008   0.02029   0.02028   6.89790
   R16        5.96448   0.00000   0.00004  -0.00892  -0.00892   5.95556
   R17        6.68665   0.00002   0.00001   0.01258   0.01252   6.69917
   R18        6.67867   0.00002  -0.00011   0.02731   0.02754   6.70621
   R19        6.20597   0.00002  -0.00012   0.01723   0.01682   6.22278
   R20        6.60855   0.00000  -0.00012   0.11092   0.11027   6.71882
   R21        6.06573   0.00001   0.00024   0.18456   0.18482   6.25055
   R22        6.93601  -0.00003   0.00004  -0.07754  -0.07789   6.85812
   R23        5.96806   0.00003   0.00004  -0.09250  -0.09237   5.87570
   R24        2.34991   0.00003   0.00000   0.00229   0.00229   2.35219
   R25        2.57163  -0.00004   0.00001   0.00503   0.00509   2.57672
   R26        2.09459   0.00003   0.00000  -0.00119  -0.00119   2.09340
   R27        2.76554  -0.00002   0.00000  -0.00504  -0.00464   2.76091
   R28        2.76846  -0.00002   0.00000   0.00464   0.00478   2.77324
   R29        2.07652   0.00000   0.00000   0.00092   0.00092   2.07745
   R30        2.08287  -0.00007   0.00001  -0.03338  -0.03326   2.04962
   R31        2.08302  -0.00001   0.00000  -0.00203  -0.00203   2.08099
   R32        2.08113   0.00001   0.00000   0.00569   0.00607   2.08720
   R33        2.07468  -0.00001   0.00000  -0.00075  -0.00075   2.07393
   R34        2.08351   0.00000   0.00000  -0.00004  -0.00004   2.08346
   R35        2.34883   0.00002   0.00000   0.00170   0.00170   2.35053
   R36        2.57151   0.00002   0.00000   0.00159   0.00177   2.57329
   R37        2.09409   0.00000   0.00000   0.00001   0.00001   2.09410
   R38        2.76864  -0.00001   0.00000  -0.00197  -0.00182   2.76681
   R39        2.76496   0.00001   0.00000   0.00015   0.00024   2.76520
   R40        2.08178  -0.00001   0.00000  -0.00787  -0.00781   2.07397
   R41        2.08400   0.00000   0.00000   0.00103   0.00103   2.08503
   R42        2.07434  -0.00001   0.00000  -0.00225  -0.00225   2.07209
   R43        2.08322   0.00000   0.00000   0.00019   0.00019   2.08341
   R44        2.08350  -0.00001   0.00000  -0.00777  -0.00780   2.07570
   R45        2.07665   0.00000   0.00000  -0.00040  -0.00040   2.07625
   R46        2.34852   0.00004   0.00000   0.00113   0.00113   2.34966
   R47        2.57158   0.00007  -0.00001   0.00137   0.00144   2.57302
   R48        2.09349   0.00000   0.00000  -0.00013  -0.00013   2.09336
   R49        2.76470   0.00003  -0.00001  -0.00005  -0.00003   2.76467
   R50        2.76862   0.00002   0.00000  -0.00139  -0.00137   2.76725
   R51        2.08434   0.00000   0.00000  -0.00072  -0.00072   2.08361
   R52        2.08234   0.00001   0.00000   0.00634   0.00645   2.08878
   R53        2.07608  -0.00001   0.00000  -0.00084  -0.00084   2.07524
   R54        2.08523  -0.00001   0.00000  -0.00157  -0.00157   2.08366
   R55        2.07376   0.00000   0.00000  -0.00105  -0.00105   2.07270
   R56        2.07817   0.00001   0.00000   0.00180   0.00180   2.07997
   R57        2.34807   0.00004  -0.00001  -0.00387  -0.00387   2.34419
   R58        2.57196   0.00002  -0.00002  -0.01330  -0.01320   2.55875
   R59        2.09576   0.00003   0.00000   0.00206   0.00205   2.09781
   R60        2.76996  -0.00010   0.00000  -0.00526  -0.00468   2.76528
   R61        2.76505   0.00001   0.00001   0.00312   0.00369   2.76873
   R62        2.07488   0.00000   0.00000  -0.00003  -0.00003   2.07486
   R63        2.08384   0.00000   0.00000  -0.00109  -0.00109   2.08275
   R64        2.07958   0.00006  -0.00001   0.00608   0.00672   2.08630
   R65        2.07618  -0.00002   0.00000  -0.00419  -0.00419   2.07198
   R66        2.08427  -0.00007   0.00001  -0.01188  -0.01174   2.07253
   R67        2.08313  -0.00002   0.00000  -0.00138  -0.00138   2.08175
    A1        0.67963  -0.00001  -0.00001  -0.00614  -0.00605   0.67357
    A2        0.95612  -0.00002  -0.00002  -0.01145  -0.01141   0.94471
    A3        0.72784  -0.00001   0.00000  -0.00963  -0.00953   0.71832
    A4        1.01982  -0.00002   0.00000  -0.00919  -0.00923   1.01059
    A5        2.34208   0.00001   0.00003  -0.00425  -0.00425   2.33783
    A6        2.02283   0.00000   0.00004   0.00000  -0.00003   2.02280
    A7        1.97826   0.00001   0.00005   0.00616   0.00613   1.98440
    A8        1.68464   0.00001   0.00005   0.00989   0.00991   1.69455
    A9        1.65304   0.00000   0.00004  -0.00159  -0.00157   1.65147
   A10        1.37164   0.00000   0.00004   0.00104   0.00105   1.37269
   A11        1.73372  -0.00002  -0.00002  -0.00742  -0.00747   1.72625
   A12        2.03876  -0.00002  -0.00001  -0.01047  -0.01045   2.02831
   A13        1.94330  -0.00002   0.00002  -0.00605  -0.00600   1.93730
   A14        2.02861  -0.00001   0.00001  -0.00648  -0.00643   2.02218
   A15        2.43357  -0.00001  -0.00002  -0.00996  -0.01002   2.42355
   A16        1.55943   0.00002   0.00003   0.00661   0.00662   1.56605
   A17        1.76701   0.00001   0.00000   0.00925   0.00918   1.77620
   A18        1.55708   0.00001  -0.00004   0.01242   0.01240   1.56948
   A19        1.70076   0.00001  -0.00002   0.02023   0.02008   1.72084
   A20        2.17626   0.00001   0.00000   0.01549   0.01528   2.19154
   A21        2.39622   0.00000  -0.00002   0.01519   0.01500   2.41122
   A22        0.64192  -0.00001  -0.00001  -0.00815  -0.00816   0.63376
   A23        0.65935  -0.00001   0.00000  -0.00181  -0.00187   0.65748
   A24        2.39222   0.00000   0.00001  -0.00447  -0.00442   2.38779
   A25        2.21935   0.00000   0.00003  -0.00182  -0.00180   2.21756
   A26        2.31952   0.00000   0.00005   0.00257   0.00261   2.32214
   A27        2.05502   0.00000   0.00005   0.00696   0.00703   2.06206
   A28        1.81214   0.00000   0.00003  -0.00078  -0.00074   1.81140
   A29        1.57139   0.00000   0.00004   0.00130   0.00134   1.57273
   A30        1.34054  -0.00001  -0.00002  -0.00420  -0.00426   1.33628
   A31        1.63966  -0.00001  -0.00001  -0.00555  -0.00558   1.63408
   A32        1.58846  -0.00001   0.00000   0.00059   0.00056   1.58902
   A33        1.73802  -0.00001  -0.00001   0.00022   0.00019   1.73821
   A34        2.03688   0.00000  -0.00001  -0.00636  -0.00643   2.03046
   A35        1.81678   0.00002   0.00007  -0.00310  -0.00304   1.81374
   A36        1.89499   0.00000   0.00004   0.00146   0.00146   1.89644
   A37        1.55564   0.00002   0.00001   0.00782   0.00784   1.56348
   A38        1.57932   0.00001   0.00002   0.01951   0.01942   1.59873
   A39        2.26240   0.00000   0.00002   0.00633   0.00619   2.26859
   A40        2.35615   0.00000   0.00000   0.00555   0.00541   2.36156
   A41        0.68800  -0.00001  -0.00001   0.00275   0.00261   0.69061
   A42        0.74520  -0.00001  -0.00001   0.00943   0.00925   0.75446
   A43        2.65590   0.00000  -0.00002   0.00109   0.00096   2.65686
   A44        2.59684   0.00000   0.00001  -0.00078  -0.00089   2.59595
   A45        2.65658   0.00000   0.00004  -0.00049  -0.00048   2.65610
   A46        2.35204   0.00000   0.00004   0.00135   0.00139   2.35343
   A47        2.18956   0.00000   0.00002   0.00049   0.00038   2.18994
   A48        1.95564   0.00000   0.00003   0.00125   0.00116   1.95680
   A49        1.09705  -0.00001  -0.00002   0.00474   0.00473   1.10178
   A50        1.45702  -0.00001  -0.00002   0.00306   0.00303   1.46005
   A51        1.55599  -0.00001  -0.00002   0.00964   0.00951   1.56550
   A52        1.78948   0.00000  -0.00003   0.00876   0.00859   1.79807
   A53        1.78465   0.00000  -0.00002   0.00124   0.00122   1.78587
   A54        1.67293   0.00002   0.00010  -0.01407  -0.01383   1.65910
   A55        1.62351   0.00000   0.00007  -0.00565  -0.00544   1.61807
   A56        1.23035   0.00002   0.00004   0.00283   0.00307   1.23342
   A57        1.20571   0.00001   0.00004   0.01778   0.01788   1.22359
   A58        1.93333   0.00000   0.00004   0.00043   0.00056   1.93389
   A59        1.98019   0.00000   0.00001   0.00318   0.00331   1.98350
   A60        0.83917  -0.00001   0.00000  -0.00415  -0.00416   0.83501
   A61        0.77495  -0.00001   0.00000   0.00585   0.00585   0.78080
   A62        2.59806   0.00001  -0.00002   0.00194   0.00186   2.59992
   A63        2.76281   0.00000   0.00001  -0.00541  -0.00546   2.75734
   A64        2.61092  -0.00001   0.00003  -0.00331  -0.00325   2.60767
   A65        2.38805  -0.00001   0.00002  -0.00519  -0.00519   2.38286
   A66        2.19402  -0.00001   0.00003  -0.00544  -0.00543   2.18859
   A67        0.85459  -0.00001  -0.00002   0.00956   0.00953   0.86411
   A68        1.23091   0.00000  -0.00002   0.00672   0.00671   1.23762
   A69        1.40878   0.00000  -0.00002   0.01034   0.01028   1.41906
   A70        1.67841   0.00000  -0.00003   0.00849   0.00841   1.68682
   A71        1.52170   0.00001  -0.00002   0.00620   0.00617   1.52786
   A72        1.68898   0.00001   0.00010  -0.01314  -0.01301   1.67597
   A73        1.53545   0.00000   0.00007  -0.00221  -0.00212   1.53332
   A74        1.10968   0.00002   0.00006   0.00607   0.00624   1.11592
   A75        1.00802   0.00001   0.00006   0.02291   0.02300   1.03102
   A76        1.76986   0.00000   0.00003   0.00458   0.00464   1.77451
   A77        1.75792   0.00001   0.00001   0.00824   0.00829   1.76621
   A78        1.99407   0.00001   0.00000  -0.00274  -0.00272   1.99135
   A79        1.93699   0.00001   0.00001  -0.00281  -0.00280   1.93419
   A80        2.21520   0.00000   0.00003  -0.00132  -0.00126   2.21394
   A81        2.07271   0.00000   0.00003   0.00411   0.00416   2.07687
   A82        1.54893   0.00000   0.00002  -0.00096  -0.00093   1.54800
   A83        1.38243   0.00000   0.00003  -0.00035  -0.00030   1.38212
   A84        1.20021   0.00000   0.00001  -0.00445  -0.00449   1.19571
   A85        1.38509   0.00000   0.00001  -0.00339  -0.00343   1.38167
   A86        1.21654  -0.00001   0.00001   0.00336   0.00332   1.21986
   A87        1.31991   0.00000   0.00000   0.00349   0.00343   1.32334
   A88        1.81164   0.00000   0.00001  -0.00464  -0.00468   1.80696
   A89        2.24869   0.00001   0.00006  -0.00583  -0.00575   2.24294
   A90        2.30473   0.00000   0.00006  -0.00193  -0.00190   2.30283
   A91        1.91741   0.00001   0.00004   0.00523   0.00529   1.92270
   A92        1.84641   0.00000   0.00006   0.01826   0.01828   1.86469
   A93        2.60829  -0.00001   0.00003   0.00105   0.00097   2.60927
   A94        2.55102   0.00000   0.00001  -0.00086  -0.00094   2.55007
   A95        1.91182   0.00002  -0.00001  -0.00835  -0.00831   1.90351
   A96        1.99054   0.00001   0.00001  -0.01053  -0.01055   1.97999
   A97        2.36628   0.00001   0.00002  -0.00982  -0.00984   2.35644
   A98        2.32035   0.00000   0.00003  -0.00311  -0.00320   2.31715
   A99        1.66171   0.00001   0.00002  -0.00850  -0.00852   1.65319
   A100       1.56840   0.00000   0.00004  -0.00823  -0.00827   1.56012
   A101       0.89331   0.00000   0.00001  -0.00048  -0.00040   0.89291
   A102       1.06275   0.00000   0.00001  -0.00121  -0.00111   1.06164
   A103       0.93119   0.00000   0.00001   0.00285   0.00292   0.93411
   A104       1.08970   0.00001  -0.00001   0.00083   0.00086   1.09056
   A105       1.48919   0.00000   0.00001  -0.00240  -0.00232   1.48687
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   A107       2.30804  -0.00001   0.00007   0.00301   0.00306   2.31110
   A108       1.87799   0.00001   0.00006   0.01048   0.01059   1.88858
   A109       1.71252   0.00000   0.00007   0.02303   0.02319   1.73571
   A110       2.45093  -0.00001   0.00003   0.00358   0.00362   2.45455
   A111       2.28918   0.00000   0.00001   0.00198   0.00202   2.29119
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   A118       1.19204   0.00001   0.00000  -0.00760  -0.00756   1.18448
   A119       0.91973   0.00001   0.00002  -0.00669  -0.00663   0.91310
   A120       1.24948   0.00000   0.00001  -0.00096  -0.00097   1.24851
   A121       1.95110  -0.00002  -0.00009   0.01317   0.01307   1.96416
   A122       1.98398  -0.00001  -0.00005   0.00447   0.00439   1.98837
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   A147       1.37071  -0.00001  -0.00011   0.01635   0.01629   1.38700
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   A151       1.43912   0.00001  -0.00006   0.00308   0.00300   1.44212
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   A162       1.94373  -0.00001  -0.00010  -0.00129  -0.00140   1.94233
   A163       2.19974   0.00000  -0.00011  -0.01395  -0.01430   2.18545
   A164       1.51001   0.00001  -0.00006   0.00049   0.00040   1.51041
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   A166       2.16051   0.00002   0.00004  -0.00924  -0.00921   2.15130
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   A184       2.26140   0.00001  -0.00007   0.00344   0.00331   2.26471
   A185       2.33041   0.00000  -0.00004  -0.00240  -0.00251   2.32790
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   A330       3.26590   0.00000   0.00002   0.02135   0.02135   3.28725
   A331       3.64265   0.00000   0.00005   0.01163   0.01151   3.65416
   A332       3.21188   0.00000   0.00000  -0.00066  -0.00060   3.21128
   A333       2.99830   0.00000  -0.00010  -0.00467  -0.00482   2.99348
   A334       2.93316   0.00000  -0.00012  -0.00609  -0.00621   2.92696
   A335       3.22776   0.00002  -0.00003   0.02723   0.02712   3.25488
   A336       3.07900   0.00000   0.00001   0.00129   0.00128   3.08028
   A337       3.10153   0.00001  -0.00002  -0.01211  -0.01209   3.08945
   A338       3.03873   0.00001   0.00003  -0.01890  -0.01869   3.02004
    D1        2.75876   0.00000   0.00002   0.01218   0.01212   2.77088
    D2       -1.36163   0.00000   0.00001   0.01049   0.01033  -1.35129
    D3        2.78303   0.00000   0.00004   0.00217   0.00233   2.78536
    D4       -1.33735   0.00000   0.00003   0.00048   0.00055  -1.33681
    D5        1.66451   0.00000   0.00003  -0.00419  -0.00407   1.66044
    D6       -2.45588   0.00000   0.00002  -0.00587  -0.00586  -2.46173
    D7        1.84663   0.00001   0.00005  -0.01183  -0.01183   1.83479
    D8       -2.27376   0.00001   0.00004  -0.01351  -0.01362  -2.28738
    D9        0.32573   0.00000   0.00008   0.00749   0.00744   0.33317
   D10        2.48853   0.00000   0.00007   0.00580   0.00566   2.49419
   D11        0.04030   0.00000   0.00005   0.00431   0.00439   0.04469
   D12        2.20310   0.00000   0.00004   0.00262   0.00261   2.20571
   D13       -0.42885   0.00000   0.00004   0.00283   0.00293  -0.42592
   D14        1.73395   0.00000   0.00003   0.00114   0.00115   1.73510
   D15       -0.54925   0.00000   0.00004  -0.00470  -0.00453  -0.55378
   D16        1.61355   0.00000   0.00003  -0.00638  -0.00631   1.60723
   D17        0.21953   0.00000   0.00004  -0.00237  -0.00231   0.21722
   D18        2.38233   0.00000   0.00003  -0.00406  -0.00409   2.37824
   D19        0.15439   0.00000   0.00002  -0.00379  -0.00370   0.15070
   D20        2.31719   0.00000   0.00001  -0.00548  -0.00548   2.31171
   D21        2.40788   0.00001   0.00009  -0.01397  -0.01382   2.39406
   D22       -1.71250   0.00001   0.00008  -0.01566  -0.01561  -1.72811
   D23        2.16325   0.00000   0.00010  -0.01164  -0.01146   2.15179
   D24       -1.95714   0.00000   0.00009  -0.01333  -0.01324  -1.97038
   D25        1.72183   0.00000   0.00010  -0.00976  -0.00959   1.71224
   D26       -2.39856   0.00000   0.00009  -0.01144  -0.01137  -2.40993
   D27        1.41488   0.00000   0.00011  -0.00750  -0.00733   1.40755
   D28       -2.70551   0.00000   0.00010  -0.00918  -0.00912  -2.71462
   D29        2.37258  -0.00001   0.00013  -0.01931  -0.01891   2.35367
   D30       -1.74780  -0.00001   0.00012  -0.02100  -0.02069  -1.76850
   D31       -1.77640   0.00001   0.00015  -0.01734  -0.01725  -1.79364
   D32        0.38640   0.00001   0.00014  -0.01903  -0.01903   0.36737
   D33       -2.11484  -0.00001   0.00013  -0.01146  -0.01139  -2.12623
   D34        0.04796   0.00000   0.00012  -0.01315  -0.01317   0.03479
   D35       -2.49388   0.00001   0.00015  -0.00516  -0.00506  -2.49894
   D36       -0.33108   0.00001   0.00014  -0.00684  -0.00685  -0.33793
   D37       -2.77877   0.00000   0.00015   0.00230   0.00251  -2.77626
   D38       -0.61597   0.00000   0.00014   0.00062   0.00072  -0.61525
   D39       -2.12482  -0.00002   0.00008  -0.01397  -0.01394  -2.13876
   D40        0.03798  -0.00002   0.00007  -0.01565  -0.01572   0.02226
   D41       -2.37281  -0.00002   0.00006  -0.01892  -0.01904  -2.39185
   D42       -0.21001  -0.00002   0.00005  -0.02061  -0.02083  -0.23084
   D43        1.25956   0.00001  -0.00006   0.03723   0.03697   1.29653
   D44       -1.92264   0.00001   0.00000  -0.01443  -0.01463  -1.93727
   D45        2.45653   0.00000  -0.00003   0.02269   0.02258   2.47912
   D46       -0.72567  -0.00001   0.00003  -0.02898  -0.02902  -0.75469
   D47        2.94353   0.00000  -0.00002   0.01339   0.01321   2.95674
   D48       -0.23867   0.00000   0.00004  -0.03828  -0.03840  -0.27706
   D49        2.86172   0.00001   0.00002   0.01417   0.01402   2.87574
   D50       -0.32048   0.00000   0.00008  -0.03750  -0.03758  -0.35806
   D51        2.05305   0.00000   0.00001   0.01817   0.01823   2.07128
   D52       -1.12915  -0.00001   0.00007  -0.03350  -0.03338  -1.16253
   D53        1.16885   0.00001  -0.00002   0.01909   0.01921   1.18805
   D54       -2.01335   0.00000   0.00003  -0.03258  -0.03240  -2.04575
   D55        1.02565   0.00001  -0.00004   0.01325   0.01327   1.03892
   D56       -2.15655   0.00000   0.00002  -0.03842  -0.03833  -2.19489
   D57        2.02548   0.00000  -0.00002   0.01735   0.01725   2.04274
   D58       -1.15672   0.00000   0.00004  -0.03432  -0.03435  -1.19107
   D59        1.83146   0.00001  -0.00004   0.02044   0.02032   1.85178
   D60       -1.35074   0.00000   0.00002  -0.03123  -0.03128  -1.38203
   D61       -2.27307   0.00002   0.00001   0.00828   0.00826  -2.26481
   D62        0.82792   0.00001   0.00007  -0.04339  -0.04335   0.78457
   D63       -2.41012   0.00001   0.00001   0.01385   0.01373  -2.39639
   D64        0.69087   0.00000   0.00007  -0.03782  -0.03787   0.65299
   D65       -2.81249   0.00000   0.00002   0.01685   0.01676  -2.79573
   D66        0.28849  -0.00001   0.00007  -0.03482  -0.03484   0.25365
   D67       -2.99124   0.00000   0.00001   0.01777   0.01765  -2.97360
   D68        0.10974  -0.00001   0.00007  -0.03390  -0.03396   0.07578
   D69       -2.13539   0.00000   0.00001   0.01410   0.01395  -2.12144
   D70        0.96559  -0.00001   0.00007  -0.03757  -0.03765   0.92794
   D71       -0.16570   0.00000   0.00003   0.01049   0.01029  -0.15541
   D72        2.93529   0.00000   0.00009  -0.04118  -0.04131   2.89398
   D73       -0.55909   0.00000   0.00003   0.01360   0.01345  -0.54564
   D74        2.54189   0.00000   0.00009  -0.03807  -0.03815   2.50374
   D75       -0.73944   0.00001   0.00007   0.01263   0.01259  -0.72686
   D76        2.36154   0.00000   0.00013  -0.03903  -0.03902   2.32252
   D77       -1.07794   0.00000   0.00007   0.01633   0.01664  -1.06130
   D78        2.02304   0.00000   0.00013  -0.03533  -0.03496   1.98808
   D79       -0.83379  -0.00001  -0.00001   0.01105   0.01103  -0.82276
   D80        2.26720  -0.00001   0.00005  -0.04061  -0.04057   2.22662
   D81       -1.14061   0.00000  -0.00002   0.01073   0.01065  -1.12997
   D82        1.96037  -0.00001   0.00004  -0.04094  -0.04096   1.91941
   D83       -1.53535   0.00000  -0.00003   0.02669   0.02668  -1.50867
   D84       -2.61016   0.00000  -0.00001   0.03130   0.03129  -2.57887
   D85       -2.94812   0.00001   0.00000   0.03468   0.03472  -2.91340
   D86        0.73466   0.00000   0.00002   0.02653   0.02656   0.76122
   D87        0.31177   0.00000   0.00001   0.02889   0.02892   0.34069
   D88       -0.06289   0.00000   0.00002   0.03063   0.03066  -0.03224
   D89       -0.39923   0.00000   0.00001   0.02829   0.02834  -0.37089
   D90        0.18405   0.00000   0.00000   0.02721   0.02718   0.21124
   D91       -0.05347   0.00000  -0.00001   0.02952   0.02948  -0.02399
   D92        2.40495   0.00002   0.00003   0.01878   0.01878   2.42372
   D93        2.05557   0.00001   0.00003   0.02295   0.02292   2.07850
   D94        1.66317   0.00000   0.00004   0.02122   0.02126   1.68443
   D95        1.37543   0.00000   0.00004   0.02310   0.02313   1.39857
   D96        2.05687   0.00000   0.00003   0.02322   0.02324   2.08011
   D97       -1.92357   0.00001   0.00011   0.01114   0.01114  -1.91243
   D98       -2.44038   0.00000   0.00008   0.01875   0.01870  -2.42168
   D99       -2.66466   0.00001   0.00009   0.02106   0.02107  -2.64359
   D100      -2.99094   0.00000   0.00007   0.02037   0.02063  -2.97031
   D101      -2.88618  -0.00001   0.00002   0.00884   0.00896  -2.87722
   D102       2.86228   0.00001   0.00000   0.00842   0.00851   2.87080
   D103      -2.90064  -0.00001  -0.00005  -0.02287  -0.02279  -2.92343
   D104       1.19657  -0.00001  -0.00006  -0.02132  -0.02122   1.17534
   D105       2.81113   0.00000  -0.00007  -0.01354  -0.01365   2.79749
   D106       0.62515   0.00000  -0.00008  -0.01198  -0.01208   0.61308
   D107       2.31480   0.00000  -0.00008  -0.00288  -0.00292   2.31188
   D108       0.12881   0.00000  -0.00008  -0.00133  -0.00135   0.12746
   D109       1.75805   0.00001  -0.00006   0.00760   0.00754   1.76559
   D110      -0.42793   0.00001  -0.00006   0.00915   0.00911  -0.41882
   D111       2.59290   0.00000  -0.00005  -0.00795  -0.00808   2.58482
   D112       0.40692   0.00000  -0.00005  -0.00640  -0.00651   0.40041
   D113       2.25596   0.00000  -0.00005  -0.00275  -0.00274   2.25321
   D114       0.06998   0.00000  -0.00005  -0.00120  -0.00118   0.06880
   D115      -1.61172  -0.00001   0.00000  -0.00678  -0.00684  -1.61855
   D116       2.48549  -0.00001  -0.00001  -0.00523  -0.00527   2.48022
   D117      -1.77357  -0.00001  -0.00001  -0.00194  -0.00201  -1.77557
   D118       2.32363   0.00000  -0.00001  -0.00038  -0.00044   2.32320
   D119      -2.73499  -0.00001   0.00000  -0.00711  -0.00715  -2.74214
   D120       1.36222   0.00000   0.00000  -0.00555  -0.00558   1.35663
   D121      -2.69841  -0.00001   0.00001  -0.00898  -0.00902  -2.70743
   D122       1.39880  -0.00001   0.00001  -0.00743  -0.00745   1.39134
   D123       1.32728  -0.00001  -0.00006  -0.00039  -0.00049   1.32680
   D124      -0.85870   0.00000  -0.00006   0.00117   0.00108  -0.85762
   D125       1.29661   0.00000  -0.00006  -0.00368  -0.00376   1.29285
   D126      -0.88937   0.00000  -0.00007  -0.00213  -0.00219  -0.89156
   D127       1.65165   0.00001  -0.00007  -0.00836  -0.00846   1.64319
   D128      -0.53433   0.00001  -0.00008  -0.00681  -0.00689  -0.54122
   D129       1.77747   0.00001  -0.00006  -0.00943  -0.00952   1.76794
   D130      -0.40852   0.00001  -0.00007  -0.00788  -0.00795  -0.41647
   D131       0.89601   0.00001  -0.00006  -0.00307  -0.00315   0.89286
   D132      -1.28998   0.00001  -0.00007  -0.00152  -0.00158  -1.29155
   D133      -0.94916   0.00000  -0.00008   0.00024   0.00029  -0.94887
   D134      -3.13514   0.00000  -0.00009   0.00180   0.00186  -3.13328
   D135      -0.52157   0.00000  -0.00009  -0.00155  -0.00159  -0.52317
   D136      -2.70755   0.00000  -0.00010   0.00001  -0.00002  -2.70758
   D137      -0.21127  -0.00002  -0.00015  -0.00269  -0.00286  -0.21413
   D138      -2.39725  -0.00001  -0.00015  -0.00113  -0.00129  -2.39855
   D139       0.19406  -0.00001  -0.00014  -0.01561  -0.01595   0.17811
   D140      -1.99192   0.00000  -0.00015  -0.01406  -0.01438  -2.00630
   D141      -0.31167   0.00001  -0.00006  -0.00019  -0.00037  -0.31204
   D142      -2.49765   0.00001  -0.00006   0.00136   0.00120  -2.49645
   D143      -0.05488   0.00000  -0.00005  -0.00100  -0.00114  -0.05603
   D144      -2.24086   0.00000  -0.00006   0.00055   0.00042  -2.24044
   D145      -2.47193  -0.00001   0.00000  -0.01280  -0.01276  -2.48468
   D146      -2.72357   0.00000  -0.00001  -0.00998  -0.00998  -2.73355
   D147      -2.40987   0.00000  -0.00002  -0.00072  -0.00099  -2.41086
   D148       3.00589   0.00001  -0.00003  -0.00473  -0.00476   3.00113
   D149       2.62402   0.00001  -0.00005  -0.00484  -0.00466   2.61936
   D150       1.51794  -0.00001   0.00001   0.00018   0.00019   1.51813
   D151       2.61901   0.00000   0.00001   0.00016   0.00022   2.61923
   D152       2.99339   0.00000   0.00001  -0.00327  -0.00322   2.99017
   D153       1.18582  -0.00001  -0.00008   0.01336   0.01320   1.19902
   D154       1.24689   0.00000  -0.00006   0.00454   0.00452   1.25141
   D155       1.63754   0.00001  -0.00006  -0.00212  -0.00214   1.63540
   D156       1.71435   0.00001  -0.00004  -0.00299  -0.00299   1.71136
   D157       0.89642   0.00000  -0.00005   0.00424   0.00424   0.90066
   D158      -1.00147   0.00001  -0.00003   0.00049   0.00060  -1.00086
   D159      -0.67547   0.00000  -0.00003   0.00154   0.00159  -0.67388
   D160      -0.70448   0.00000  -0.00007   0.00650   0.00652  -0.69796
   D161      -0.39065   0.00000  -0.00006   0.01170   0.01118  -0.37947
   D162      -0.29689   0.00001  -0.00002   0.00638   0.00628  -0.29061
   D163      -0.01559   0.00000  -0.00002   0.00761   0.00756  -0.00804
   D164      -1.28459  -0.00001  -0.00006  -0.01967  -0.01966  -1.30424
   D165       1.66658  -0.00001  -0.00004  -0.01080  -0.01078   1.65581
   D166      -1.65666  -0.00001  -0.00006  -0.01417  -0.01425  -1.67091
   D167       1.29451  -0.00001  -0.00005  -0.00530  -0.00536   1.28914
   D168      -1.73702   0.00000  -0.00007  -0.00586  -0.00601  -1.74303
   D169       1.21415   0.00000  -0.00005   0.00301   0.00287   1.21702
   D170      -1.99537   0.00001  -0.00006  -0.00196  -0.00206  -1.99743
   D171       0.95580   0.00001  -0.00005   0.00691   0.00682   0.96262
   D172      -2.00562   0.00000  -0.00006  -0.00999  -0.01009  -2.01570
   D173       0.94555   0.00000  -0.00005  -0.00112  -0.00120   0.94435
   D174      -2.30858   0.00000  -0.00006  -0.00999  -0.00994  -2.31852
   D175       0.64259   0.00000  -0.00005  -0.00112  -0.00106   0.64153
   D176       1.97592  -0.00001  -0.00002  -0.00792  -0.00796   1.96796
   D177      -1.35610  -0.00001  -0.00001   0.00095   0.00092  -1.35518
   D178       0.82949  -0.00001  -0.00002  -0.00651  -0.00651   0.82297
   D179      -2.50253  -0.00001  -0.00001   0.00236   0.00237  -2.50016
   D180       0.36502   0.00000  -0.00003  -0.00375  -0.00377   0.36125
   D181      -2.96700   0.00000  -0.00002   0.00512   0.00511  -2.96189
   D182      -3.10908   0.00001  -0.00007  -0.00701  -0.00708  -3.11616
   D183      -0.15791   0.00001  -0.00006   0.00186   0.00180  -0.15611
   D184       2.90746   0.00000  -0.00007  -0.00653  -0.00660   2.90086
   D185      -0.42455   0.00000  -0.00006   0.00234   0.00228  -0.42227
   D186       3.06055   0.00001  -0.00007  -0.01338  -0.01344   3.04711
   D187      -0.27146   0.00001  -0.00006  -0.00451  -0.00456  -0.27602
   D188       2.96780   0.00000  -0.00005  -0.01376  -0.01379   2.95401
   D189      -0.36422   0.00000  -0.00004  -0.00489  -0.00491  -0.36913
   D190       2.46143   0.00000  -0.00008  -0.00465  -0.00472   2.45672
   D191      -0.87058   0.00000  -0.00006   0.00422   0.00416  -0.86642
   D192       0.31096   0.00001  -0.00002  -0.01176  -0.01171   0.29925
   D193      -3.02105   0.00001   0.00000  -0.00289  -0.00283  -3.02388
   D194       0.62545   0.00000  -0.00006  -0.00579  -0.00578   0.61966
   D195      -2.70657   0.00000  -0.00004   0.00308   0.00310  -2.70347
   D196       0.43223   0.00001  -0.00011   0.00724   0.00725   0.43948
   D197      -2.89978   0.00001  -0.00010   0.01611   0.01613  -2.88365
   D198       1.09335   0.00001  -0.00007   0.00103   0.00084   1.09418
   D199      -2.23867   0.00001  -0.00005   0.00990   0.00972  -2.22895
   D200       1.43082   0.00000  -0.00007   0.00113   0.00095   1.43176
   D201      -1.90120   0.00000  -0.00006   0.01000   0.00983  -1.89137
   D202       1.60705   0.00000  -0.00005  -0.00952  -0.00972   1.59733
   D203      -0.60580   0.00001  -0.00005   0.00196   0.00176  -0.60404
   D204       1.67982   0.00000  -0.00003  -0.01738  -0.01751   1.66231
   D205      -0.53303   0.00001  -0.00003  -0.00591  -0.00603  -0.53906
   D206       1.36183   0.00001  -0.00001  -0.02489  -0.02474   1.33708
   D207      -0.85102   0.00001  -0.00001  -0.01341  -0.01327  -0.86428
   D208       1.19897   0.00001  -0.00001  -0.02014  -0.02012   1.17885
   D209      -1.01388   0.00002  -0.00001  -0.00867  -0.00864  -1.02252
   D210       2.11115   0.00000  -0.00002  -0.02040  -0.02047   2.09068
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   D212       2.22826   0.00000  -0.00001  -0.01573  -0.01582   2.21244
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   D220      -2.12735   0.00001   0.00011  -0.02823  -0.02804  -2.15540
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   D222      -2.89360  -0.00001  -0.00001  -0.01971  -0.01976  -2.91336
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   D226      -2.71580  -0.00001  -0.00001  -0.00929  -0.00933  -2.72512
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   D228      -2.66217  -0.00001  -0.00003  -0.01201  -0.01208  -2.67425
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   D230      -1.57017  -0.00002  -0.00002  -0.01541  -0.01544  -1.58560
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   D267       1.36996   0.00000   0.00004  -0.00611  -0.00616   1.36380
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   D269      -1.38451   0.00000   0.00002   0.00152   0.00154  -1.38297
   D270       0.85513   0.00000  -0.00001   0.00311   0.00313   0.85827
   D271      -2.50637   0.00000   0.00001  -0.00036  -0.00033  -2.50670
   D272       1.01892  -0.00002  -0.00019   0.00923   0.00899   1.02792
   D273      -2.34258  -0.00002  -0.00017   0.00576   0.00553  -2.33705
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   D275      -2.21228   0.00001  -0.00006  -0.00837  -0.00841  -2.22069
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   D279      -1.78470   0.00000  -0.00003  -0.02723  -0.02723  -1.81193
   D280       0.81880   0.00001  -0.00004  -0.00774  -0.00769   0.81111
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   D285      -2.63946   0.00001  -0.00007   0.00132   0.00099  -2.63847
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   D288       1.33209   0.00001   0.00000  -0.01266  -0.01248   1.31962
   D289      -2.88414   0.00001   0.00000  -0.01618  -0.01603  -2.90017
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   D291      -2.97193   0.00001   0.00000  -0.01282  -0.01278  -2.98471
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   D299      -0.20914   0.00001   0.00001  -0.01792  -0.01793  -0.22707
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   D301       0.17915   0.00000   0.00002  -0.01862  -0.01859   0.16056
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   D307      -0.67972   0.00000   0.00004  -0.01797  -0.01792  -0.69764
   D308       1.52271  -0.00002  -0.00001  -0.00354  -0.00350   1.51922
   D309      -2.69352  -0.00002  -0.00001  -0.00707  -0.00705  -2.70057
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   D311      -1.59292   0.00000  -0.00002  -0.00512  -0.00511  -1.59804
   D312       3.00588   0.00000  -0.00003  -0.00245  -0.00245   3.00343
   D313      -1.21035   0.00000  -0.00003  -0.00597  -0.00600  -1.21636
   D314      -0.43431  -0.00001  -0.00010   0.00242   0.00237  -0.43194
   D315       1.63264  -0.00001  -0.00011  -0.00111  -0.00119   1.63145
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   D318       0.13230  -0.00001  -0.00006  -0.01494  -0.01502   0.11728
   D319       2.19925  -0.00001  -0.00006  -0.01847  -0.01857   2.18068
   D320       0.26293   0.00000  -0.00007  -0.03070  -0.03083   0.23210
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   D322      -0.55380   0.00001  -0.00004  -0.01237  -0.01235  -0.56615
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   D326       0.05013   0.00001   0.00009  -0.03945  -0.03928   0.01085
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   D427       2.95558   0.00000   0.00002  -0.00377  -0.00407   2.95151
   D428      -3.07034  -0.00007   0.00002   0.05556   0.05529  -3.01504
   D429       0.03222  -0.00007   0.00004   0.02788   0.02802   0.06024
   D430       0.04227  -0.00001   0.00005   0.10698   0.10705   0.14932
   D431      -3.13836  -0.00001   0.00006   0.07929   0.07978  -3.05858
   D432      -0.08494   0.00001  -0.00003   0.05035   0.05051  -0.03442
   D433       2.01481  -0.00001  -0.00002   0.01905   0.01917   2.03397
   D434      -2.18209   0.00002  -0.00003   0.04172   0.04208  -2.14001
   D435       3.09368   0.00000  -0.00004   0.07740   0.07773  -3.11177
   D436      -1.08976  -0.00001  -0.00004   0.04610   0.04638  -1.04338
   D437       0.99653   0.00002  -0.00004   0.06876   0.06930   1.06582
   D438      -2.36942   0.00000  -0.00004   0.02606   0.02601  -2.34341
   D439      -0.27880   0.00000  -0.00004   0.01267   0.01250  -0.26630
   D440       1.82811   0.00000  -0.00005   0.01547   0.01528   1.84339
   D441       0.73510   0.00000  -0.00003  -0.00093  -0.00108   0.73402
   D442       2.82571   0.00000  -0.00003  -0.01432  -0.01458   2.81113
   D443      -1.35056   0.00001  -0.00004  -0.01152  -0.01180  -1.36236
   D444      -0.00093   0.00001  -0.00002  -0.04280  -0.04278  -0.04371
   D445       3.11353   0.00001  -0.00001  -0.01267  -0.01262   3.10091
   D446      -3.12129   0.00001  -0.00003  -0.03965  -0.03967   3.12223
   D447      -0.00683   0.00001  -0.00002  -0.00952  -0.00950  -0.01633
   D448       2.42547   0.00000   0.00001   0.01296   0.01295   2.43842
   D449      -1.77336   0.00000   0.00001   0.01026   0.01023  -1.76314
   D450       0.33463   0.00000   0.00000   0.00489   0.00482   0.33946
   D451      -0.69029   0.00000   0.00001  -0.01580  -0.01575  -0.70605
   D452       1.39406   0.00000   0.00000  -0.01851  -0.01848   1.37558
   D453      -2.78113   0.00000   0.00000  -0.02388  -0.02388  -2.80501
   D454       2.06072  -0.00001  -0.00002  -0.01295  -0.01302   2.04771
   D455      -2.13805   0.00000  -0.00002  -0.01578  -0.01582  -2.15387
   D456      -0.04467   0.00000  -0.00002  -0.01612  -0.01617  -0.06083
   D457      -1.10667   0.00000  -0.00001   0.01569   0.01567  -1.09100
   D458       0.97774   0.00001  -0.00002   0.01286   0.01287   0.99060
   D459       3.07113   0.00000  -0.00002   0.01252   0.01252   3.08364
   D460      -3.09112   0.00002  -0.00004  -0.03348  -0.03356  -3.12468
   D461      -0.03035   0.00002  -0.00002  -0.02628  -0.02627  -0.05662
   D462       0.06334   0.00002  -0.00005  -0.00659  -0.00667   0.05667
   D463       3.12411   0.00002  -0.00004   0.00060   0.00062   3.12473
   D464       1.94478  -0.00003   0.00010   0.02629   0.02637   1.97114
   D465      -2.25584  -0.00001   0.00008   0.01033   0.01041  -2.24543
   D466      -0.16314  -0.00001   0.00008   0.02545   0.02561  -0.13753
   D467      -1.11926  -0.00003   0.00008   0.01840   0.01848  -1.10078
   D468       0.96331  -0.00002   0.00006   0.00244   0.00253   0.96584
   D469       3.05601  -0.00002   0.00007   0.01756   0.01773   3.07373
   D470      -1.65200   0.00001  -0.00007  -0.02190  -0.02196  -1.67396
   D471       0.45236   0.00001  -0.00007  -0.02129  -0.02144   0.43092
   D472       2.54475   0.00001  -0.00006  -0.01768  -0.01776   2.52699
   D473       1.41236   0.00002  -0.00006  -0.01403  -0.01410   1.39826
   D474      -2.76646   0.00001  -0.00005  -0.01343  -0.01358  -2.78005
   D475      -0.67407   0.00001  -0.00005  -0.00981  -0.00990  -0.68398
   D476       0.00049   0.00001   0.00005  -0.02506  -0.02489  -0.02441
   D477      -3.10153   0.00004  -0.00002  -0.03353  -0.03344  -3.13497
   D478       3.11698  -0.00001   0.00005   0.03827   0.03817  -3.12804
   D479       0.01496   0.00002  -0.00002   0.02980   0.02962   0.04458
   D480      -0.35921   0.00003  -0.00023  -0.06287  -0.06262  -0.42183
   D481       1.74889  -0.00001  -0.00019  -0.05262  -0.05275   1.69614
   D482      -2.44759   0.00000  -0.00023  -0.07831  -0.07846  -2.52606
   D483       2.74466   0.00000  -0.00017  -0.05423  -0.05405   2.69061
   D484      -1.43042  -0.00004  -0.00013  -0.04398  -0.04418  -1.47461
   D485       0.65628  -0.00002  -0.00016  -0.06967  -0.06989   0.58639
   D486       0.00482  -0.00003   0.00001  -0.04198  -0.04226  -0.03744
   D487       2.09737  -0.00003  -0.00001  -0.01872  -0.01883   2.07854
   D488      -2.10029  -0.00002  -0.00001  -0.02897  -0.02910  -2.12939
   D489      -3.09907  -0.00001  -0.00005  -0.05000  -0.05032   3.13379
   D490      -1.00651  -0.00001  -0.00007  -0.02674  -0.02690  -1.03341
   D491       1.07901   0.00001  -0.00007  -0.03699  -0.03717   1.04184
         Item               Value     Threshold  Converged?
 Maximum Force            0.000105     0.000450     YES
 RMS     Force            0.000013     0.000300     YES
 Maximum Displacement     0.280256     0.001800     NO 
 RMS     Displacement     0.021611     0.001200     NO 
 Predicted change in Energy=-7.765672D-04
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:46:16 2016, MaxMem=  2952790016 cpu:         7.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.843134   -0.608310    1.682479
      2          6           0       -2.078574    1.106378   -1.396881
      3          8           0       -2.619543    0.101031   -1.892840
      4          7           0       -0.787775    1.167411   -0.961734
      5          1           0       -2.623896    2.064824   -1.291128
      6          6           0       -0.285317    2.340843   -0.251003
      7          1           0       -1.073178    3.104282   -0.180437
      8          1           0        0.003066    2.073924    0.759921
      9          1           0        0.584548    2.765108   -0.776361
     10          6           0        0.117860    0.023463   -1.119445
     11          1           0        0.666312   -0.145378   -0.175721
     12          1           0       -0.477863   -0.868670   -1.351107
     13          1           0        0.846200    0.207108   -1.926508
     14          6           0       -1.981475   -4.042584    2.616182
     15          8           0       -2.095755   -3.875307    3.843417
     16          7           0       -2.918074   -3.721518    1.681308
     17          1           0       -1.058602   -4.462350    2.168855
     18          6           0       -4.222479   -3.173727    2.058328
     19          1           0       -4.504053   -2.380291    1.354287
     20          1           0       -4.993840   -3.961826    2.022572
     21          1           0       -4.174243   -2.761568    3.073275
     22          6           0       -2.677345   -3.908293    0.250099
     23          1           0       -3.391539   -4.637576   -0.166512
     24          1           0       -2.813845   -2.950471   -0.269959
     25          1           0       -1.650642   -4.266046    0.091857
     26          6           0        1.560773    0.373470    2.619781
     27          8           0        1.357860    1.400992    3.289877
     28          7           0        1.183733   -0.887749    2.967749
     29          1           0        2.051053    0.411992    1.627171
     30          6           0        1.481698   -2.047620    2.127346
     31          1           0        2.202496   -2.704088    2.642351
     32          1           0        0.559377   -2.630363    1.949852
     33          1           0        1.899886   -1.715314    1.167833
     34          6           0        0.535659   -1.170543    4.250089
     35          1           0        1.283962   -1.503752    4.988192
     36          1           0        0.035835   -0.265425    4.616103
     37          1           0       -0.205538   -1.972479    4.112224
     38          6           0       -4.609158    1.246898    2.907675
     39          8           0       -4.885891    1.953513    1.926381
     40          7           0       -3.516380    1.390970    3.694117
     41          1           0       -5.281747    0.433568    3.251873
     42          6           0       -2.516017    2.422098    3.415990
     43          1           0       -2.568718    2.678237    2.349619
     44          1           0       -2.668657    3.329419    4.022781
     45          1           0       -1.528016    2.007516    3.682152
     46          6           0       -3.244384    0.514541    4.836289
     47          1           0       -4.058875   -0.209847    4.954866
     48          1           0       -2.296119   -0.019803    4.701769
     49          1           0       -3.164876    1.123442    5.750876
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.532428   0.000000
     3  O    3.726780   1.244728   0.000000
     4  N    3.355419   1.363539   2.315059   0.000000
     5  H    4.074012   1.107781   2.053913   2.070071   0.000000
     6  C    3.855211   2.460225   3.627809   1.461008   2.574296
     7  H    4.224527   2.546012   3.787227   2.107925   2.172288
     8  H    3.384369   3.149788   4.219897   2.100308   3.332840
     9  H    4.829026   3.198226   4.313935   2.114301   3.324079
    10  C    3.477847   2.464548   2.845617   1.467536   3.422551
    11  H    3.156666   3.254616   3.715650   2.110829   4.117596
    12  H    3.336825   2.542672   2.412589   2.096015   3.635167
    13  H    4.574081   3.105397   3.467530   2.126698   3.987027
    14  C    3.561625   6.528853   6.156944   6.431987   7.278750
    15  O    3.925142   7.230367   6.999305   7.087263   7.869412
    16  N    3.293563   5.786933   5.241711   5.951930   6.511809
    17  H    3.963039   6.690706   6.305423   6.447336   7.551531
    18  C    3.519078   5.903737   5.376354   6.305827   6.420027
    19  H    3.213738   5.060508   4.500241   5.635678   5.503840
    20  H    4.613966   6.773340   6.121646   7.273661   7.274459
    21  H    3.464808   6.271773   5.939181   6.571631   6.689218
    22  C    3.692899   5.312061   4.546450   5.549935   6.168983
    23  H    4.695882   6.019194   5.102017   6.411695   6.839312
    24  H    3.200002   4.274179   3.461671   4.641171   5.121723
    25  H    3.993265   5.591280   4.893788   5.601522   6.552846
    26  C    3.664562   5.469513   6.157355   4.355832   5.972214
    27  O    4.106992   5.819070   6.661095   4.768072   6.105789
    28  N    3.300292   5.802515   6.250434   4.852975   6.430689
    29  H    4.026012   5.165353   5.856760   3.915613   5.753561
    30  C    3.650210   5.919748   6.131785   5.002934   6.741963
    31  H    4.656261   7.011605   7.189486   6.076154   7.842757
    32  H    3.151547   5.667684   5.686152   4.971442   6.533143
    33  H    3.937070   5.510704   5.752571   4.479809   6.387530
    34  C    3.545050   6.626225   7.021950   5.863498   7.152305
    35  H    4.637702   7.673890   8.072254   6.843159   8.211939
    36  H    3.500606   6.519858   7.039295   5.817527   6.884737
    37  H    3.232080   6.583150   6.796151   5.995245   7.165507
    38  C    3.548773   4.995278   5.321327   5.438898   4.715953
    39  O    3.985072   4.432013   4.811910   5.074813   3.934638
    40  N    3.292956   5.297787   5.803650   5.401131   5.109136
    41  H    3.920786   5.685412   5.802240   6.203934   5.510356
    42  C    3.555448   5.008613   5.794976   4.870886   4.721890
    43  H    3.431172   4.092340   4.964175   4.052087   3.692473
    44  H    4.654483   5.887516   6.739398   5.749556   5.462494
    45  H    3.307648   5.187652   5.992216   4.776967   5.092912
    46  C    3.629161   6.368814   6.770716   6.330737   6.350875
    47  H    3.972001   6.782237   7.004242   6.899500   6.800421
    48  H    3.109284   6.205574   6.603641   5.979954   6.353576
    49  H    4.614956   7.229853   7.731049   7.121213   7.125214
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.099337   0.000000
     8  H    1.084610   1.761877   0.000000
     9  H    1.101212   1.793940   1.782139   0.000000
    10  C    2.507387   3.433912   2.783808   2.802163   0.000000
    11  H    2.663186   3.685937   2.498125   2.972942   1.104500
    12  H    3.398275   4.184401   3.653299   3.829281   1.097477
    13  H    2.939468   3.889266   3.378281   2.816853   1.102522
    14  C    7.200406   7.728116   6.692965   8.027359   5.907187
    15  O    7.660449   8.121067   7.021848   8.521824   6.688087
    16  N    6.886033   7.311722   6.555087   7.770767   5.575482
    17  H    7.262033   7.922960   6.770164   7.975612   5.685025
    18  C    7.158543   7.371809   6.861410   8.149401   6.257701
    19  H    6.531753   6.648821   6.364545   7.543783   5.767102
    20  H    8.189198   8.375841   7.936854   9.176278   7.203075
    21  H    7.225591   7.389955   6.795844   8.246813   6.614941
    22  C    6.710037   7.206588   6.575062   7.498523   5.014731
    23  H    7.638984   8.081544   7.577985   8.425017   5.911789
    24  H    5.864454   6.300632   5.851512   6.668835   4.261550
    25  H    6.755194   7.397928   6.586068   7.428796   4.795284
    26  C    3.939544   4.715533   2.962613   4.266934   4.023222
    27  O    4.015119   4.566642   2.947707   4.358109   4.783023
    28  N    4.789810   5.562466   3.878142   5.265049   4.321059
    29  H    3.564635   4.502964   2.776398   3.669435   3.381137
    30  C    5.295045   6.196398   4.587301   5.691990   4.085474
    31  H    6.325507   7.241224   5.586630   6.649620   5.092775
    32  H    5.501832   6.331628   4.884233   6.045161   4.081460
    33  H    4.820853   5.821121   4.257070   5.058082   3.380918
    34  C    5.767466   6.363335   4.794944   6.384116   5.516530
    35  H    6.685261   7.314698   5.684957   7.207109   6.402766
    36  H    5.530325   5.965872   4.510406   6.209983   5.743405
    37  H    6.135867   6.704717   5.258786   6.853264   5.608809
    38  C    5.465305   5.048709   5.154554   6.546118   6.329232
    39  O    5.104538   4.505522   5.027627   6.155421   6.167631
    40  N    5.187100   4.890485   4.632757   6.220213   6.184510
    41  H    6.393133   6.051902   6.068759   7.488402   6.959337
    42  C    4.292955   3.934647   3.677187   5.225607   5.767229
    43  H    3.477210   2.969737   3.083246   4.440989   5.128346
    44  H    4.992277   4.501476   4.400071   5.825252   6.718371
    45  H    4.138250   4.040960   3.299705   4.991514   5.449835
    46  C    6.162142   6.048837   5.440071   7.157347   6.856866
    47  H    6.917140   6.802145   6.269971   7.953534   7.375419
    48  H    5.843452   5.923802   5.020768   6.787038   6.302040
    49  H    6.767309   6.593891   5.987395   7.704419   7.693349
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.792713   0.000000
    13  H    1.794954   1.800424   0.000000
    14  C    5.476652   5.298487   6.833130   0.000000
    15  O    6.139614   6.216151   7.655929   1.243845   0.000000
    16  N    5.393066   4.825859   6.528415   1.361724   2.318314
    17  H    5.206593   5.063786   6.496469   1.108151   2.055351
    18  C    6.169453   5.564143   7.280142   2.467431   2.863863
    19  H    5.836817   5.080783   6.788480   3.273988   3.772365
    20  H    7.171826   6.429881   8.190318   3.071358   3.423721
    21  H    6.389945   6.068067   7.682168   2.580343   2.480654
    22  C    5.051821   4.079325   5.838622   2.469943   3.640230
    23  H    6.053600   4.908913   6.672854   3.175796   4.282481
    24  H    4.470897   3.310527   5.109833   3.196148   4.276779
    25  H    4.734953   3.872948   5.506099   2.555700   3.798027
    26  C    2.980620   4.633239   4.605109   5.661190   5.737560
    27  O    3.857444   5.482698   5.375670   6.421646   6.330339
    28  N    3.271123   4.627503   5.026569   4.482759   4.521874
    29  H    2.340638   4.111648   3.757962   6.089554   6.363073
    30  C    3.096369   4.162865   4.682028   4.026463   4.368468
    31  H    4.104679   5.147892   5.584718   4.392934   4.614030
    32  H    3.271795   3.882752   4.812449   2.982331   3.490732
    33  H    2.406563   3.565889   3.792217   4.751722   5.271572
    34  C    4.544869   5.700154   6.335985   4.153822   3.795454
    35  H    5.375191   6.610149   7.136649   4.768142   4.284539
    36  H    4.834614   6.019584   6.609519   4.726114   4.262859
    37  H    4.741824   5.580372   6.505616   3.110857   2.695540
    38  C    6.267084   6.299241   7.362840   5.913401   5.781850
    39  O    6.296915   6.175545   7.124012   6.698108   6.740551
    40  N    5.901773   6.308157   7.212840   5.748164   5.456568
    41  H    6.889339   6.779421   8.026123   5.597485   5.391370
    42  C    5.442384   6.140720   6.689766   6.535867   6.325870
    43  H    4.981522   5.536027   6.004448   6.751693   6.738254
    44  H    6.389340   7.162556   7.582683   7.536390   7.229693
    45  H    4.932871   5.891431   6.351018   6.160003   5.912355
    46  C    6.391344   6.917425   7.909665   5.224098   4.644987
    47  H    6.975276   7.281689   8.460905   4.947213   4.304040
    48  H    5.708037   6.376828   7.338918   4.542185   3.954974
    49  H    7.170248   7.850268   8.710374   6.157481   5.456089
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.060139   0.000000
    18  C    1.464135   3.418023   0.000000
    19  H    2.102655   4.107265   1.097497   0.000000
    20  H    2.117313   3.969638   1.103348   1.785427   0.000000
    21  H    2.106428   3.663039   1.096503   1.791387   1.793415
    22  C    1.463282   2.570785   2.489321   2.625049   2.917306
    23  H    2.116074   3.305637   2.789843   2.940382   2.795728
    24  H    2.100671   3.363698   2.730387   2.412485   3.321282
    25  H    2.104578   2.168633   3.416799   3.645786   3.872620
    26  C    6.140825   5.518117   6.807631   6.779881   7.881270
    27  O    6.863761   6.440090   7.320174   7.239242   8.408922
    28  N    5.148787   4.294656   5.939686   6.097692   6.964605
    29  H    6.463827   5.807115   7.238818   7.130268   8.301635
    30  C    4.728518   3.505106   5.814681   6.044626   6.753352
    31  H    5.308390   3.735029   6.468535   6.836794   7.331663
    32  H    3.654505   2.453976   4.813851   5.104465   5.711069
    33  H    5.244164   4.159435   6.356359   6.441071   7.300744
    34  C    5.003437   4.208230   5.608604   5.936991   6.582436
    35  H    5.788876   4.710581   6.457075   6.890189   7.365313
    36  H    5.411394   4.980060   5.756185   5.976846   6.759247
    37  H    4.040588   3.271676   4.668758   5.123452   5.590348
    38  C    5.389703   6.763713   4.518057   3.947222   5.297376
    39  O    6.011517   7.474640   5.171665   4.388047   5.917106
    40  N    5.526925   6.529047   4.900086   4.546725   5.799084
    41  H    5.031736   6.555753   3.944513   3.481874   4.573135
    42  C    6.396467   7.146680   6.005708   5.591588   6.988256
    43  H    6.444033   7.300761   6.088125   5.506807   7.076625
    44  H    7.433735   8.169516   6.968813   6.564322   7.910093
    45  H    6.225550   6.661050   6.061536   5.790389   7.099239
    46  C    5.291935   6.054939   4.719858   4.700123   5.569153
    47  H    4.934516   5.903159   4.147443   4.227669   4.852820
    48  H    4.817957   5.261495   4.543774   4.653226   5.476800
    49  H    6.332135   6.961921   5.763602   5.779234   6.565464
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.394997   0.000000
    23  H    3.824690   1.102493   0.000000
    24  H    3.614358   1.098414   1.786268   0.000000
    25  H    4.185794   1.098703   1.798753   1.792955   0.000000
    26  C    6.551681   6.473834   7.576239   6.207774   6.182936
    27  O    6.926613   7.328822   8.424234   7.000770   7.168943
    28  N    5.677168   5.605108   6.694618   5.542401   5.264726
    29  H    7.135615   6.551254   7.637882   6.210675   6.159852
    30  C    5.778769   4.927860   5.976462   5.001390   4.344673
    31  H    6.391541   5.566492   6.551436   5.805680   4.877644
    32  H    4.866873   3.872808   4.910971   4.050760   3.318402
    33  H    6.451387   5.157755   6.190256   5.080563   4.502245
    34  C    5.108760   5.815376   6.851975   5.900691   5.626096
    35  H    5.919544   6.627466   7.632309   6.821523   6.341630
    36  H    5.131841   6.300304   7.330484   6.261290   6.270405
    37  H    4.177642   4.977271   5.963299   5.192616   4.848932
    38  C    4.035390   6.113150   6.749833   5.562231   6.861064
    39  O    4.904467   6.484471   7.075008   5.759024   7.246740
    40  N    4.249917   6.375533   7.159846   5.920774   6.961256
    41  H    3.386348   5.886027   6.401152   5.472254   6.727333
    42  C    5.453215   7.079742   7.964914   6.522226   7.518645
    43  H    5.717768   6.913911   7.780043   6.213263   7.359581
    44  H    6.345744   8.161965   9.030268   7.608267   8.612759
    45  H    5.487933   6.935181   7.902036   6.469480   7.229305
    46  C    3.834806   6.396571   7.182894   6.185906   6.921247
    47  H    3.172534   6.141821   6.802840   6.029919   6.775043
    48  H    3.700893   5.923095   6.798818   5.794388   6.300676
    49  H    4.825108   7.470917   8.261730   7.278080   7.960150
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.243385   0.000000
    28  N    1.361585   2.317848   0.000000
    29  H    1.107760   2.055050   2.058815   0.000000
    30  C    2.471927   3.641393   1.462998   2.573720   0.000000
    31  H    3.143832   4.240800   2.107807   3.280775   1.102601
    32  H    3.236450   4.322622   2.112496   3.403695   1.105336
    33  H    2.566353   3.808967   2.106523   2.181576   1.098168
    34  C    2.468347   2.865451   1.464366   3.417680   2.484008
    35  H    3.034791   3.365601   2.114638   3.943979   2.918790
    36  H    2.592090   2.506705   2.102862   3.667931   3.385359
    37  H    3.294043   3.807988   2.101556   4.117450   2.606176
    38  C    6.238093   5.981230   6.173970   6.833385   6.968593
    39  O    6.673591   6.414735   6.782149   7.112454   7.523008
    40  N    5.288383   4.890984   5.273636   6.018885   6.265737
    41  H    6.871916   6.709823   6.605228   7.510664   7.291437
    42  C    4.631528   4.008177   4.984391   5.300804   6.133573
    43  H    4.736838   4.234790   5.213370   5.196160   6.228082
    44  H    5.347348   4.524248   5.808486   6.043674   7.051998
    45  H    3.652308   2.974899   4.030696   4.424746   5.283932
    46  C    5.293613   4.935365   5.006603   6.192786   6.019875
    47  H    6.113373   5.891350   5.647400   6.985088   6.486157
    48  H    4.400563   4.166972   3.983657   5.342051   5.001160
    49  H    5.718214   5.156422   5.540856   6.687078   6.691506
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.784609   0.000000
    33  H    1.800957   1.801619   0.000000
    34  C    2.777576   2.724468   3.414409   0.000000
    35  H    2.790607   3.320510   3.875469   1.102625   0.000000
    36  H    3.812768   3.602211   4.179406   1.096827   1.797144
    37  H    2.914517   2.386161   3.628827   1.100673   1.790429
    38  C    7.879043   6.531794   7.359986   5.840825   6.828139
    39  O    8.511821   7.117824   7.751288   6.674769   7.706779
    40  N    7.112050   5.985430   6.735507   4.825917   5.753028
    41  H    8.138200   6.723218   7.780538   6.116520   7.062333
    42  C    7.010041   6.093847   6.455431   4.787016   5.685416
    43  H    7.198583   6.174627   6.377173   5.297362   6.268512
    44  H    7.876353   7.087753   7.380491   5.528921   6.317812
    45  H    6.098944   5.372894   5.650821   3.831627   4.684225
    46  C    6.696375   5.717563   6.700248   4.179935   4.960090
    47  H    7.125569   6.018078   7.219064   4.746514   5.497382
    48  H    5.628866   4.747834   5.741944   3.089852   3.886016
    49  H    7.288457   6.512211   7.396934   4.605289   5.222642
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796159   0.000000
    38  C    5.175114   5.586340   0.000000
    39  O    6.031722   6.488222   1.240493   0.000000
    40  N    4.026404   4.738067   1.354035   2.305841   0.000000
    41  H    5.534111   5.683059   1.110115   2.055204   2.056384
    42  C    3.895510   5.013518   2.453715   2.838099   1.463321
    43  H    4.537157   5.506410   2.554125   2.464477   2.088731
    44  H    4.537534   5.846801   3.057106   3.347258   2.141084
    45  H    2.912757   4.215954   3.266770   3.789587   2.081794
    46  C    3.378855   3.993009   2.473562   3.637684   1.465150
    47  H    4.109075   4.320315   2.572141   3.812584   2.108649
    48  H    2.346418   2.920793   3.189585   4.278279   2.120066
    49  H    3.668952   4.585585   3.191393   4.275239   2.103660
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.410344   0.000000
    43  H    3.634987   1.097967   0.000000
    44  H    3.975989   1.102146   1.798193   0.000000
    45  H    4.093037   1.104023   1.818948   1.778909   0.000000
    46  C    2.582204   2.487276   3.364763   2.986100   2.550868
    47  H    2.193076   3.416970   4.165202   3.915085   3.597464
    48  H    3.349883   2.768478   3.589755   3.437601   2.395752
    49  H    3.346952   2.749403   3.786996   2.845853   2.782179
                   46         47         48         49
    46  C    0.000000
    47  H    1.096446   0.000000
    48  H    1.096734   1.790945   0.000000
    49  H    1.101614   1.791794   1.778307   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2122492      0.1917941      0.1827300
 Leave Link  202 at Mon Nov 14 02:46:16 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1842.9011568659 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1815860797 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1842.7195707862 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4041
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.25D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.17%
 GePol: Cavity surface area                          =    469.189 Ang**2
 GePol: Cavity volume                                =    458.302 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040270822 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1842.7155437040 Hartrees.
 Leave Link  301 at Mon Nov 14 02:46:16 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11951 LenP2D=   37394.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.48D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:46:18 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:46:18 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001214    0.000303   -0.004047
         Rot=    1.000000    0.000176   -0.000477    0.000593 Ang=   0.09 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.51006975790    
 Leave Link  401 at Mon Nov 14 02:46:24 2016, MaxMem=  2952790016 cpu:        78.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 810000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48989043.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.20D-14 for   1816.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.13D-14 for   1816   1007.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.77D-15 for   3922.
 Iteration    1 A^-1*A deviation from orthogonality  is 8.52D-11 for   1898   1890.
 E= -1013.44098699248    
 DIIS: error= 1.93D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44098699248     IErMin= 1 ErrMin= 1.93D-03
 ErrMax= 1.93D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.84D-03 BMatP= 4.84D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.93D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.323 Goal=   None    Shift=    0.000
 GapD=    0.323 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.10D-04 MaxDP=2.06D-02              OVMax= 2.10D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.10D-04    CP:  9.99D-01
 E= -1013.44922992943     Delta-E=       -0.008242936949 Rises=F Damp=F
 DIIS: error= 2.83D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.44922992943     IErMin= 2 ErrMin= 2.83D-04
 ErrMax= 2.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-04 BMatP= 4.84D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.83D-03
 Coeff-Com:  0.336D-01 0.966D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.335D-01 0.967D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.12D-05 MaxDP=2.58D-03 DE=-8.24D-03 OVMax= 5.67D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.70D-05    CP:  9.99D-01  9.38D-01
 E= -1013.44908591621     Delta-E=        0.000144013218 Rises=F Damp=F
 DIIS: error= 7.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.44922992943     IErMin= 2 ErrMin= 2.83D-04
 ErrMax= 7.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-04 BMatP= 1.20D-04
 IDIUse=3 WtCom= 2.70D-01 WtEn= 7.30D-01
 Coeff-Com:  0.551D-02 0.621D+00 0.373D+00
 Coeff-En:   0.000D+00 0.679D+00 0.321D+00
 Coeff:      0.149D-02 0.664D+00 0.335D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.05D-05 MaxDP=2.46D-03 DE= 1.44D-04 OVMax= 4.84D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.08D-05    CP:  9.99D-01  9.55D-01  4.91D-01
 E= -1013.44931889435     Delta-E=       -0.000232978146 Rises=F Damp=F
 DIIS: error= 2.04D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.44931889435     IErMin= 4 ErrMin= 2.04D-04
 ErrMax= 2.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-05 BMatP= 1.20D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.04D-03
 Coeff-Com:  0.148D-03 0.298D+00 0.240D+00 0.462D+00
 Coeff-En:   0.000D+00 0.000D+00 0.790D-01 0.921D+00
 Coeff:      0.147D-03 0.298D+00 0.239D+00 0.463D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.80D-05 MaxDP=9.64D-04 DE=-2.33D-04 OVMax= 1.50D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.44D-06    CP:  9.99D-01  9.61D-01  4.96D-01  5.08D-01
 E= -1013.44934366499     Delta-E=       -0.000024770639 Rises=F Damp=F
 DIIS: error= 3.89D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.44934366499     IErMin= 5 ErrMin= 3.89D-05
 ErrMax= 3.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-06 BMatP= 3.10D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.149D-04 0.132D+00 0.117D+00 0.286D+00 0.465D+00
 Coeff:     -0.149D-04 0.132D+00 0.117D+00 0.286D+00 0.465D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.86D-06 MaxDP=2.12D-04 DE=-2.48D-05 OVMax= 2.38D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.73D-06    CP:  9.99D-01  9.62D-01  4.90D-01  5.41D-01  5.93D-01
 E= -1013.44934616289     Delta-E=       -0.000002497900 Rises=F Damp=F
 DIIS: error= 8.81D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.44934616289     IErMin= 6 ErrMin= 8.81D-06
 ErrMax= 8.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.68D-08 BMatP= 2.70D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-04 0.559D-01 0.504D-01 0.127D+00 0.232D+00 0.535D+00
 Coeff:     -0.134D-04 0.559D-01 0.504D-01 0.127D+00 0.232D+00 0.535D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.76D-07 MaxDP=4.26D-05 DE=-2.50D-06 OVMax= 5.39D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.85D-07    CP:  9.99D-01  9.62D-01  4.91D-01  5.41D-01  5.96D-01
                    CP:  8.69D-01
 E= -1013.44934619788     Delta-E=       -0.000000034986 Rises=F Damp=F
 DIIS: error= 5.43D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.44934619788     IErMin= 7 ErrMin= 5.43D-06
 ErrMax= 5.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-08 BMatP= 5.68D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.149D-04 0.154D-01 0.144D-01 0.374D-01 0.781D-01 0.359D+00
 Coeff-Com:  0.496D+00
 Coeff:     -0.149D-04 0.154D-01 0.144D-01 0.374D-01 0.781D-01 0.359D+00
 Coeff:      0.496D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.72D-07 MaxDP=1.92D-05 DE=-3.50D-08 OVMax= 3.21D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.88D-07    CP:  9.99D-01  9.62D-01  4.91D-01  5.41D-01  5.97D-01
                    CP:  8.68D-01  6.58D-01
 E= -1013.44934621039     Delta-E=       -0.000000012506 Rises=F Damp=F
 DIIS: error= 1.37D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.44934621039     IErMin= 8 ErrMin= 1.37D-06
 ErrMax= 1.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-09 BMatP= 1.61D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-04 0.656D-02 0.626D-02 0.164D-01 0.363D-01 0.201D+00
 Coeff-Com:  0.327D+00 0.406D+00
 Coeff:     -0.114D-04 0.656D-02 0.626D-02 0.164D-01 0.363D-01 0.201D+00
 Coeff:      0.327D+00 0.406D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.47D-07 MaxDP=7.19D-06 DE=-1.25D-08 OVMax= 1.26D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.08D-07    CP:  9.99D-01  9.62D-01  4.91D-01  5.41D-01  5.98D-01
                    CP:  8.70D-01  7.05D-01  6.76D-01
 E= -1013.44934621158     Delta-E=       -0.000000001191 Rises=F Damp=F
 DIIS: error= 8.01D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.44934621158     IErMin= 9 ErrMin= 8.01D-07
 ErrMax= 8.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.62D-10 BMatP= 1.71D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.518D-05 0.837D-03 0.871D-03 0.243D-02 0.665D-02 0.592D-01
 Coeff-Com:  0.123D+00 0.333D+00 0.475D+00
 Coeff:     -0.518D-05 0.837D-03 0.871D-03 0.243D-02 0.665D-02 0.592D-01
 Coeff:      0.123D+00 0.333D+00 0.475D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.15D-08 MaxDP=3.10D-06 DE=-1.19D-09 OVMax= 4.36D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.93D-08    CP:  9.99D-01  9.62D-01  4.91D-01  5.41D-01  5.99D-01
                    CP:  8.75D-01  6.95D-01  7.06D-01  5.31D-01
 E= -1013.44934621187     Delta-E=       -0.000000000298 Rises=F Damp=F
 DIIS: error= 7.83D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.44934621187     IErMin=10 ErrMin= 7.83D-08
 ErrMax= 7.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-11 BMatP= 4.62D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-05 0.888D-04 0.122D-03 0.391D-03 0.153D-02 0.201D-01
 Coeff-Com:  0.465D-01 0.151D+00 0.248D+00 0.532D+00
 Coeff:     -0.186D-05 0.888D-04 0.122D-03 0.391D-03 0.153D-02 0.201D-01
 Coeff:      0.465D-01 0.151D+00 0.248D+00 0.532D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.17D-08 MaxDP=4.86D-07 DE=-2.98D-10 OVMax= 4.61D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.69D-09    CP:  9.99D-01  9.62D-01  4.91D-01  5.41D-01  5.98D-01
                    CP:  8.76D-01  6.95D-01  7.12D-01  5.56D-01  7.68D-01
 E= -1013.44934621196     Delta-E=       -0.000000000090 Rises=F Damp=F
 DIIS: error= 1.24D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -1013.44934621196     IErMin=11 ErrMin= 1.24D-08
 ErrMax= 1.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-13 BMatP= 1.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.140D-06-0.573D-04-0.487D-04-0.112D-03-0.128D-03 0.147D-02
 Coeff-Com:  0.493D-02 0.220D-01 0.451D-01 0.196D+00 0.731D+00
 Coeff:     -0.140D-06-0.573D-04-0.487D-04-0.112D-03-0.128D-03 0.147D-02
 Coeff:      0.493D-02 0.220D-01 0.451D-01 0.196D+00 0.731D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.86D-09 MaxDP=2.35D-07 DE=-8.96D-11 OVMax= 8.18D-08

 Error on total polarization charges =  0.04323
 SCF Done:  E(RB97D) =  -1013.44934621     A.U. after   11 cycles
            NFock= 11  Conv=0.29D-08     -V/T= 2.0212
 KE= 9.923821798204D+02 PE=-6.017050322799D+03 EE= 2.168503253063D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:48:29 2016, MaxMem=  2952790016 cpu:      1432.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11951 LenP2D=   37394.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 02:48:37 2016, MaxMem=  2952790016 cpu:        97.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:48:37 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:49:14 2016, MaxMem=  2952790016 cpu:       436.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.26925733D+00-2.79053257D+00 3.26870623D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.001993238    0.002455704   -0.002361308
      2        6           0.001279838   -0.002522172   -0.004043227
      3        8          -0.000368738    0.001181590    0.000726060
      4        7          -0.003796111   -0.001184068    0.000379972
      5        1           0.000594894    0.000054113    0.003385474
      6        6          -0.002198433    0.004788828   -0.007621311
      7        1          -0.000608864   -0.000311853   -0.002466986
      8        1           0.004253110   -0.004903290    0.009754591
      9        1           0.000919364   -0.000120284   -0.000170057
     10        6          -0.000047777    0.000334323    0.004755325
     11        1          -0.000314405    0.001169316   -0.001115175
     12        1           0.000639388   -0.000461831   -0.000527703
     13        1          -0.000392179    0.000691736    0.000059023
     14        6           0.000485844    0.000911687    0.000420281
     15        8          -0.000887788   -0.000501471   -0.001260466
     16        7           0.000273852   -0.000442065    0.001222980
     17        1          -0.000199551    0.000400131   -0.000694966
     18        6          -0.001386740   -0.002354126    0.001237662
     19        1           0.000322984    0.001782689   -0.002096476
     20        1          -0.000000486    0.000112875   -0.000031697
     21        1           0.000895020    0.000243757    0.000583847
     22        6           0.000149106   -0.001743131    0.001474960
     23        1           0.000128191   -0.000157334    0.000031162
     24        1          -0.000091109    0.002252814   -0.001418000
     25        1           0.000125377   -0.000033504   -0.000034037
     26        6          -0.003562505    0.000632468   -0.001555130
     27        8           0.000816551   -0.001501103    0.001035166
     28        7          -0.001649232   -0.000066498   -0.000710553
     29        1           0.000648856   -0.000809889    0.000158437
     30        6          -0.000232757   -0.000901985    0.000864345
     31        1           0.000724514   -0.000484747   -0.000765543
     32        1           0.001334951    0.001680451   -0.000236037
     33        1          -0.000256489    0.000166304   -0.000299540
     34        6          -0.000028940    0.000453099    0.000378033
     35        1          -0.000250793   -0.000253264    0.000938610
     36        1           0.000069093    0.000412735   -0.000057575
     37        1           0.000610972    0.000272118    0.000014659
     38        6          -0.007853231    0.000320173    0.004776912
     39        8          -0.000025444    0.000485444   -0.004717381
     40        7           0.004860702   -0.000029203    0.004424581
     41        1           0.001993654   -0.001711025   -0.001007847
     42        6           0.005047546   -0.003414149    0.000272183
     43        1           0.003184718    0.000614497   -0.000047913
     44        1          -0.003328109   -0.000147947    0.000582074
     45        1          -0.000753019    0.001629269   -0.004523733
     46        6          -0.004842520    0.003855348    0.002108603
     47        1          -0.001076865   -0.001061716   -0.000780218
     48        1           0.003051712   -0.001517583   -0.001844383
     49        1          -0.000251390   -0.000267229    0.000802321
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.009754591 RMS     0.002182249
 Leave Link  716 at Mon Nov 14 02:49:14 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.007714437 RMS     0.000556235
 Search for a local minimum.
 Step number  58 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .55623D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   50   51   52
                                                     53   55   56   58   57
 ITU=  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
 Use linear search instead of GDIIS.
 Energy rises -- skip Quadratic/GDIIS search.
 Quartic linear search produced a step of -0.99907.
 Iteration  1 RMS(Cart)=  0.02155408 RMS(Int)=  0.00065971
 Iteration  2 RMS(Cart)=  0.00047900 RMS(Int)=  0.00000053
 Iteration  3 RMS(Cart)=  0.00000036 RMS(Int)=  0.00000015
 ITry= 1 IFail=0 DXMaxC= 2.80D-01 DCOld= 1.00D+10 DXMaxT= 3.34D-01 DXLimC= 3.00D+00 Rises=T
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.67532  -0.00081  -0.08662   0.00000  -0.08661   6.58871
    R2        6.34082  -0.00029  -0.07789   0.00000  -0.07789   6.26294
    R3        7.28529   0.00137  -0.01787   0.00000  -0.01787   7.26742
    R4        6.39553  -0.00178  -0.02754   0.00000  -0.02754   6.36799
    R5        6.57218  -0.00135  -0.04783   0.00000  -0.04783   6.52435
    R6        5.96523   0.00013   0.01267   0.00000   0.01267   5.97791
    R7        6.73050  -0.00057  -0.03307   0.00000  -0.03307   6.69743
    R8        6.22393   0.00015   0.00575   0.00000   0.00575   6.22968
    R9        6.65009   0.00068   0.00629   0.00000   0.00629   6.65638
   R10        6.07309  -0.00037   0.00135   0.00000   0.00135   6.07443
   R11        6.97857   0.00001  -0.01672   0.00000  -0.01672   6.96185
   R12        6.04713  -0.00022  -0.01434   0.00000  -0.01434   6.03278
   R13        6.92502  -0.00207  -0.05654   0.00000  -0.05654   6.86848
   R14        6.23665  -0.00069  -0.04032   0.00000  -0.04032   6.19633
   R15        6.89790   0.00006  -0.02026   0.00000  -0.02026   6.87764
   R16        5.95556   0.00015   0.00891   0.00000   0.00891   5.96447
   R17        6.69917   0.00056  -0.01251   0.00000  -0.01251   6.68666
   R18        6.70621   0.00115  -0.02751   0.00000  -0.02751   6.67869
   R19        6.22278   0.00053  -0.01680   0.00000  -0.01680   6.20598
   R20        6.71882  -0.00147  -0.11017   0.00000  -0.11017   6.60865
   R21        6.25055  -0.00060  -0.18465   0.00000  -0.18465   6.06590
   R22        6.85812   0.00221   0.07782   0.00000   0.07782   6.93594
   R23        5.87570  -0.00083   0.09228   0.00000   0.09228   5.96798
   R24        2.35219  -0.00104  -0.00229   0.00000  -0.00229   2.34991
   R25        2.57672  -0.00150  -0.00508   0.00000  -0.00508   2.57163
   R26        2.09340   0.00006   0.00119   0.00000   0.00119   2.09459
   R27        2.76091   0.00011   0.00463   0.00000   0.00463   2.76554
   R28        2.77324  -0.00026  -0.00478   0.00000  -0.00478   2.76847
   R29        2.07745   0.00007  -0.00092   0.00000  -0.00092   2.07652
   R30        2.04962   0.00771   0.03323   0.00000   0.03323   2.08284
   R31        2.08099   0.00075   0.00203   0.00000   0.00203   2.08301
   R32        2.08720  -0.00125  -0.00606   0.00000  -0.00606   2.08114
   R33        2.07393   0.00018   0.00075   0.00000   0.00075   2.07468
   R34        2.08346  -0.00020   0.00004   0.00000   0.00004   2.08351
   R35        2.35053  -0.00119  -0.00170   0.00000  -0.00170   2.34883
   R36        2.57329  -0.00094  -0.00177   0.00000  -0.00177   2.57151
   R37        2.09410  -0.00004  -0.00001   0.00000  -0.00001   2.09409
   R38        2.76681   0.00018   0.00182   0.00000   0.00182   2.76864
   R39        2.76520   0.00017  -0.00024   0.00000  -0.00024   2.76496
   R40        2.07397   0.00186   0.00780   0.00000   0.00780   2.08177
   R41        2.08503  -0.00008  -0.00103   0.00000  -0.00103   2.08400
   R42        2.07209   0.00072   0.00224   0.00000   0.00224   2.07433
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   R44        2.07570   0.00166   0.00779   0.00000   0.00779   2.08349
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   R48        2.09336   0.00015   0.00013   0.00000   0.00013   2.09349
   R49        2.76467   0.00014   0.00003   0.00000   0.00003   2.76470
   R50        2.76725   0.00022   0.00137   0.00000   0.00137   2.76862
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   A37        1.56348  -0.00001  -0.00783   0.00000  -0.00783   1.55565
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   A39        2.26859   0.00005  -0.00619   0.00000  -0.00619   2.26240
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   A43        2.65686  -0.00015  -0.00096   0.00000  -0.00096   2.65590
   A44        2.59595  -0.00015   0.00089   0.00000   0.00089   2.59684
   A45        2.65610  -0.00010   0.00048   0.00000   0.00048   2.65658
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   A53        1.78587   0.00012  -0.00122   0.00000  -0.00122   1.78465
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   A205       2.03649  -0.00014  -0.00030   0.00000  -0.00030   2.03619
   A206       1.72276   0.00010  -0.00445   0.00000  -0.00445   1.71831
   A207       1.94741   0.00026   0.00897   0.00000   0.00897   1.95639
   A208       1.65990   0.00002   0.00950   0.00000   0.00950   1.66940
   A209       0.83019   0.00007   0.00448   0.00000   0.00448   0.83466
   A210       2.69127   0.00011   0.00132   0.00000   0.00132   2.69259
   A211       2.38194  -0.00035   0.00454   0.00000   0.00454   2.38648
   A212       2.27808  -0.00031   0.00260   0.00000   0.00260   2.28068
   A213       1.96437   0.00000   0.00022   0.00000   0.00022   1.96459
   A214       2.00328   0.00015   0.01016   0.00000   0.01016   2.01343
   A215       1.72148  -0.00009   0.01099   0.00000   0.01099   1.73247
   A216       1.93464   0.00007   0.00007   0.00000   0.00007   1.93471
   A217       1.56559  -0.00046  -0.00061   0.00000  -0.00061   1.56498
   A218       1.47971  -0.00029   0.00159   0.00000   0.00159   1.48130
   A219       1.18492   0.00016   0.00416   0.00000   0.00416   1.18908
   A220       1.24374   0.00004   0.00315   0.00000   0.00315   1.24689
   A221       0.95753  -0.00021   0.00338   0.00000   0.00338   0.96091
   A222       0.70530   0.00054   0.01211   0.00000   0.01211   0.71742
   A223       0.99095   0.00046   0.01857   0.00000   0.01857   1.00951
   A224       0.70330  -0.00001  -0.00558   0.00000  -0.00558   0.69772
   A225       0.99112   0.00025  -0.00599   0.00000  -0.00599   0.98513
   A226       0.64173   0.00010   0.01625   0.00000   0.01626   0.65798
   A227       0.67268  -0.00021  -0.00697   0.00000  -0.00697   0.66571
   A228       0.70674   0.00009   0.00228   0.00000   0.00228   0.70902
   A229       0.84685   0.00009  -0.00106   0.00000  -0.00106   0.84579
   A230       0.74767   0.00062   0.01807   0.00000   0.01807   0.76574
   A231       0.76285   0.00065   0.01402   0.00000   0.01402   0.77687
   A232       1.55504  -0.00041   0.02654   0.00000   0.02654   1.58159
   A233       1.94934  -0.00165  -0.07937   0.00000  -0.07937   1.86997
   A234       2.18307   0.00023   0.00669   0.00000   0.00669   2.18976
   A235       2.12104   0.00052   0.00838   0.00000   0.00838   2.12943
   A236       1.97884  -0.00070  -0.01521   0.00000  -0.01521   1.96363
   A237       2.11386   0.00072   0.01046   0.00000   0.01046   2.12432
   A238       2.11181   0.00041   0.01462   0.00000   0.01462   2.12643
   A239       2.05569  -0.00111  -0.02387   0.00000  -0.02387   2.03182
   A240       1.78182   0.00052   0.05156   0.00000   0.05156   1.83338
   A241       2.59284  -0.00049  -0.05222   0.00000  -0.05222   2.54063
   A242       1.92039  -0.00030  -0.00666   0.00000  -0.00666   1.91373
   A243       1.92538  -0.00106  -0.00910   0.00000  -0.00910   1.91628
   A244       1.92732   0.00048  -0.01146   0.00000  -0.01146   1.91586
   A245       1.87719   0.00129   0.03337   0.00000   0.03337   1.91056
   A246       1.90623  -0.00002   0.00247   0.00000   0.00247   1.90870
   A247       1.90651  -0.00037  -0.00792   0.00000  -0.00792   1.89859
   A248       1.28317  -0.00006  -0.00340   0.00000  -0.00340   1.27978
   A249       1.91110   0.00084  -0.00602   0.00000  -0.00602   1.90508
   A250       1.89796  -0.00048   0.01176   0.00000   0.01176   1.90972
   A251       1.93531  -0.00088  -0.00793   0.00000  -0.00793   1.92738
   A252       1.90248   0.00048   0.00827   0.00000   0.00827   1.91074
   A253       1.89958  -0.00004  -0.00160   0.00000  -0.00160   1.89798
   A254       1.91715   0.00010  -0.00435   0.00000  -0.00435   1.91280
   A255       1.70374   0.00014   0.01620   0.00000   0.01620   1.71994
   A256       1.79988  -0.00049  -0.03207   0.00000  -0.03207   1.76781
   A257       2.19256  -0.00026  -0.00185   0.00000  -0.00185   2.19071
   A258       2.12438   0.00022   0.00570   0.00000   0.00570   2.13008
   A259       1.96599   0.00004  -0.00379   0.00000  -0.00379   1.96219
   A260       2.12257   0.00023   0.00229   0.00000   0.00229   2.12486
   A261       2.12732  -0.00034  -0.00408   0.00000  -0.00408   2.12325
   A262       2.03329   0.00011   0.00149   0.00000   0.00149   2.03478
   A263       1.36443  -0.00033  -0.01506   0.00000  -0.01506   1.34937
   A264       1.91120  -0.00068  -0.01084   0.00000  -0.01084   1.90036
   A265       1.92544   0.00030   0.00591   0.00000   0.00591   1.93135
   A266       1.91749  -0.00026  -0.00744   0.00000  -0.00744   1.91006
   A267       1.89256   0.00030   0.00479   0.00000   0.00479   1.89734
   A268       1.91062   0.00010   0.00250   0.00000   0.00250   1.91312
   A269       1.90629   0.00025   0.00518   0.00000   0.00518   1.91148
   A270       2.65517   0.00023   0.01080   0.00000   0.01080   2.66597
   A271       1.70696  -0.00015  -0.00950   0.00000  -0.00950   1.69746
   A272       1.92566   0.00002  -0.00106   0.00000  -0.00106   1.92460
   A273       1.90852   0.00017   0.00436   0.00000   0.00436   1.91288
   A274       1.91364  -0.00005  -0.00013   0.00000  -0.00013   1.91350
   A275       1.89379   0.00003   0.00059   0.00000   0.00059   1.89438
   A276       1.91297  -0.00008  -0.00193   0.00000  -0.00193   1.91104
   A277       1.90908  -0.00010  -0.00184   0.00000  -0.00184   1.90725
   A278       1.77998   0.00035   0.01983   0.00000   0.01983   1.79981
   A279       1.76322   0.00007  -0.00635   0.00000  -0.00635   1.75686
   A280       2.19267  -0.00004  -0.00320   0.00000  -0.00320   2.18946
   A281       2.12516   0.00004   0.00558   0.00000   0.00558   2.13073
   A282       1.96467   0.00004  -0.00175   0.00000  -0.00175   1.96292
   A283       2.13077  -0.00050  -0.00798   0.00000  -0.00798   2.12279
   A284       2.12378  -0.00043  -0.00793   0.00000  -0.00793   2.11585
   A285       2.02647   0.00092   0.01541   0.00000   0.01541   2.04188
   A286       2.66191   0.00074   0.03168   0.00000   0.03168   2.69359
   A287       1.69215  -0.00051  -0.02643   0.00000  -0.02643   1.66572
   A288       1.91437   0.00029   0.01170   0.00000   0.01170   1.92607
   A289       1.91800  -0.00063  -0.00262   0.00000  -0.00262   1.91538
   A290       1.91725   0.00013  -0.00472   0.00000  -0.00472   1.91253
   A291       1.88241   0.00054   0.00846   0.00000   0.00846   1.89087
   A292       1.91700  -0.00021  -0.00417   0.00000  -0.00417   1.91283
   A293       1.91451  -0.00012  -0.00857   0.00000  -0.00857   1.90593
   A294       1.37457  -0.00016  -0.01841   0.00000  -0.01841   1.35616
   A295       1.12959   0.00025   0.02001   0.00000   0.02001   1.14960
   A296       1.92219   0.00086   0.00988   0.00000   0.00988   1.93207
   A297       1.91191   0.00012  -0.00487   0.00000  -0.00487   1.90704
   A298       1.90608  -0.00046  -0.00384   0.00000  -0.00384   1.90225
   A299       1.91268  -0.00031  -0.00292   0.00000  -0.00292   1.90976
   A300       1.89724  -0.00028   0.00048   0.00000   0.00048   1.89772
   A301       1.91364   0.00006   0.00130   0.00000   0.00130   1.91494
   A302       1.77068  -0.00177  -0.05716   0.00000  -0.05717   1.71352
   A303       1.76835  -0.00102   0.00602   0.00000   0.00602   1.77437
   A304       2.18816  -0.00051   0.00342   0.00000   0.00342   2.19158
   A305       2.12639   0.00088   0.00373   0.00000   0.00373   2.13012
   A306       1.96800  -0.00026  -0.00679   0.00000  -0.00679   1.96121
   A307       2.11333  -0.00033   0.00985   0.00000   0.00985   2.12318
   A308       2.13999  -0.00089  -0.01740   0.00000  -0.01740   2.12260
   A309       2.02948   0.00121   0.00730   0.00000   0.00730   2.03677
   A310       1.30195  -0.00044   0.01911   0.00000   0.01911   1.32107
   A311       3.05560   0.00109  -0.02027   0.00000  -0.02027   3.03533
   A312       1.89248   0.00074   0.01629   0.00000   0.01630   1.90878
   A313       1.96143  -0.00073  -0.02994   0.00000  -0.02994   1.93149
   A314       1.87691   0.00141   0.02459   0.00000   0.02459   1.90150
   A315       1.91348  -0.00050  -0.00131   0.00000  -0.00131   1.91217
   A316       1.94411  -0.00165  -0.03294   0.00000  -0.03294   1.91117
   A317       1.87585   0.00072   0.02273   0.00000   0.02273   1.89859
   A318       1.74812  -0.00017  -0.01632   0.00000  -0.01631   1.73180
   A319       1.91942   0.00054  -0.00564   0.00000  -0.00564   1.91378
   A320       1.93514  -0.00170  -0.02069   0.00000  -0.02069   1.91446
   A321       1.90707   0.00075   0.01714   0.00000   0.01714   1.92421
   A322       1.91098   0.00006  -0.00533   0.00000  -0.00533   1.90566
   A323       1.90604  -0.00006   0.00481   0.00000   0.00481   1.91086
   A324       1.88465   0.00043   0.01002   0.00000   0.01002   1.89467
   A325       2.92910   0.00096   0.00527   0.00000   0.00527   2.93438
   A326       3.37231  -0.00048  -0.01850   0.00000  -0.01850   3.35381
   A327       3.09353  -0.00075  -0.02111   0.00000  -0.02111   3.07242
   A328       3.20033   0.00004  -0.00775   0.00000  -0.00775   3.19258
   A329       3.27072  -0.00009  -0.00988   0.00000  -0.00988   3.26084
   A330       3.28725  -0.00047  -0.02133   0.00000  -0.02133   3.26592
   A331       3.65416  -0.00023  -0.01150   0.00000  -0.01150   3.64266
   A332       3.21128  -0.00036   0.00060   0.00000   0.00060   3.21188
   A333       2.99348   0.00017   0.00481   0.00000   0.00481   2.99830
   A334       2.92696   0.00011   0.00620   0.00000   0.00620   2.93316
   A335       3.25488  -0.00071  -0.02710   0.00000  -0.02710   3.22778
   A336       3.08028  -0.00010  -0.00128   0.00000  -0.00128   3.07900
   A337       3.08945  -0.00032   0.01207   0.00000   0.01207   3.10152
   A338       3.02004  -0.00059   0.01867   0.00000   0.01867   3.03871
    D1        2.77088   0.00004  -0.01210   0.00000  -0.01210   2.75877
    D2       -1.35129   0.00001  -0.01032   0.00000  -0.01032  -1.36162
    D3        2.78536  -0.00025  -0.00233   0.00000  -0.00233   2.78304
    D4       -1.33681  -0.00028  -0.00055   0.00000  -0.00055  -1.33735
    D5        1.66044   0.00050   0.00407   0.00000   0.00407   1.66451
    D6       -2.46173   0.00047   0.00585   0.00000   0.00585  -2.45588
    D7        1.83479   0.00045   0.01182   0.00000   0.01182   1.84662
    D8       -2.28738   0.00042   0.01360   0.00000   0.01360  -2.27377
    D9        0.33317   0.00011  -0.00744   0.00000  -0.00744   0.32574
   D10        2.49419   0.00008  -0.00565   0.00000  -0.00565   2.48853
   D11        0.04469   0.00010  -0.00439   0.00000  -0.00439   0.04031
   D12        2.20571   0.00007  -0.00260   0.00000  -0.00260   2.20310
   D13       -0.42592   0.00011  -0.00293   0.00000  -0.00293  -0.42885
   D14        1.73510   0.00008  -0.00115   0.00000  -0.00115   1.73395
   D15       -0.55378   0.00011   0.00453   0.00000   0.00453  -0.54925
   D16        1.60723   0.00008   0.00631   0.00000   0.00631   1.61354
   D17        0.21722   0.00011   0.00231   0.00000   0.00231   0.21953
   D18        2.37824   0.00008   0.00409   0.00000   0.00409   2.38233
   D19        0.15070   0.00005   0.00369   0.00000   0.00369   0.15439
   D20        2.31171   0.00002   0.00548   0.00000   0.00548   2.31719
   D21        2.39406   0.00003   0.01381   0.00000   0.01381   2.40787
   D22       -1.72811   0.00001   0.01559   0.00000   0.01559  -1.71252
   D23        2.15179  -0.00001   0.01145   0.00000   0.01145   2.16324
   D24       -1.97038  -0.00004   0.01323   0.00000   0.01323  -1.95715
   D25        1.71224   0.00004   0.00958   0.00000   0.00958   1.72182
   D26       -2.40993   0.00001   0.01136   0.00000   0.01136  -2.39857
   D27        1.40755   0.00029   0.00732   0.00000   0.00732   1.41487
   D28       -2.71462   0.00026   0.00911   0.00000   0.00911  -2.70551
   D29        2.35367   0.00019   0.01889   0.00000   0.01889   2.37256
   D30       -1.76850   0.00016   0.02067   0.00000   0.02067  -1.74782
   D31       -1.79364   0.00047   0.01723   0.00000   0.01723  -1.77641
   D32        0.36737   0.00044   0.01901   0.00000   0.01901   0.38638
   D33       -2.12623  -0.00003   0.01137   0.00000   0.01137  -2.11485
   D34        0.03479  -0.00006   0.01316   0.00000   0.01316   0.04795
   D35       -2.49894  -0.00007   0.00506   0.00000   0.00506  -2.49388
   D36       -0.33793  -0.00010   0.00684   0.00000   0.00684  -0.33109
   D37       -2.77626  -0.00006  -0.00251   0.00000  -0.00251  -2.77877
   D38       -0.61525  -0.00009  -0.00072   0.00000  -0.00072  -0.61597
   D39       -2.13876   0.00038   0.01392   0.00000   0.01392  -2.12483
   D40        0.02226   0.00035   0.01571   0.00000   0.01571   0.03797
   D41       -2.39185   0.00012   0.01902   0.00000   0.01903  -2.37283
   D42       -0.23084   0.00009   0.02081   0.00000   0.02081  -0.21003
   D43        1.29653  -0.00019  -0.03694   0.00000  -0.03694   1.25960
   D44       -1.93727   0.00001   0.01462   0.00000   0.01462  -1.92265
   D45        2.47912   0.00011  -0.02256   0.00000  -0.02256   2.45655
   D46       -0.75469   0.00031   0.02899   0.00000   0.02899  -0.72570
   D47        2.95674   0.00013  -0.01319   0.00000  -0.01319   2.94355
   D48       -0.27706   0.00033   0.03836   0.00000   0.03836  -0.23870
   D49        2.87574  -0.00075  -0.01401   0.00000  -0.01401   2.86173
   D50       -0.35806  -0.00055   0.03755   0.00000   0.03755  -0.32052
   D51        2.07128  -0.00027  -0.01821   0.00000  -0.01821   2.05306
   D52       -1.16253  -0.00007   0.03334   0.00000   0.03334  -1.12918
   D53        1.18805  -0.00003  -0.01919   0.00000  -0.01919   1.16886
   D54       -2.04575   0.00017   0.03237   0.00000   0.03237  -2.01338
   D55        1.03892   0.00001  -0.01326   0.00000  -0.01326   1.02566
   D56       -2.19489   0.00021   0.03830   0.00000   0.03830  -2.15659
   D57        2.04274  -0.00020  -0.01724   0.00000  -0.01724   2.02550
   D58       -1.19107   0.00000   0.03432   0.00000   0.03432  -1.15675
   D59        1.85178  -0.00032  -0.02030   0.00000  -0.02030   1.83147
   D60       -1.38203  -0.00012   0.03125   0.00000   0.03125  -1.35077
   D61       -2.26481  -0.00014  -0.00825   0.00000  -0.00825  -2.27306
   D62        0.78457   0.00006   0.04331   0.00000   0.04331   0.82788
   D63       -2.39639  -0.00018  -0.01372   0.00000  -0.01372  -2.41011
   D64        0.65299   0.00002   0.03784   0.00000   0.03784   0.69083
   D65       -2.79573  -0.00027  -0.01675   0.00000  -0.01675  -2.81248
   D66        0.25365  -0.00007   0.03481   0.00000   0.03481   0.28846
   D67       -2.97360  -0.00015  -0.01763   0.00000  -0.01763  -2.99123
   D68        0.07578   0.00005   0.03393   0.00000   0.03393   0.10971
   D69       -2.12144  -0.00008  -0.01394   0.00000  -0.01394  -2.13538
   D70        0.92794   0.00012   0.03762   0.00000   0.03762   0.96556
   D71       -0.15541   0.00010  -0.01028   0.00000  -0.01028  -0.16569
   D72        2.89398   0.00030   0.04127   0.00000   0.04127   2.93525
   D73       -0.54564  -0.00048  -0.01344   0.00000  -0.01344  -0.55908
   D74        2.50374  -0.00028   0.03812   0.00000   0.03812   2.54186
   D75       -0.72686  -0.00042  -0.01257   0.00000  -0.01257  -0.73943
   D76        2.32252  -0.00022   0.03898   0.00000   0.03898   2.36151
   D77       -1.06130  -0.00011  -0.01663   0.00000  -0.01663  -1.07793
   D78        1.98808   0.00009   0.03493   0.00000   0.03493   2.02301
   D79       -0.82276   0.00003  -0.01102   0.00000  -0.01102  -0.83378
   D80        2.22662   0.00023   0.04054   0.00000   0.04054   2.26716
   D81       -1.12997  -0.00027  -0.01064   0.00000  -0.01064  -1.14060
   D82        1.91941  -0.00007   0.04092   0.00000   0.04092   1.96034
   D83       -1.50867   0.00028  -0.02665   0.00000  -0.02665  -1.53532
   D84       -2.57887   0.00022  -0.03126   0.00000  -0.03126  -2.61013
   D85       -2.91340  -0.00128  -0.03468   0.00000  -0.03468  -2.94808
   D86        0.76122  -0.00012  -0.02653   0.00000  -0.02653   0.73469
   D87        0.34069  -0.00005  -0.02889   0.00000  -0.02889   0.31179
   D88       -0.03224  -0.00006  -0.03063   0.00000  -0.03063  -0.06287
   D89       -0.37089  -0.00027  -0.02832   0.00000  -0.02832  -0.39920
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   D314      -0.43194  -0.00034  -0.00237   0.00000  -0.00237  -0.43431
   D315       1.63145  -0.00029   0.00118   0.00000   0.00118   1.63264
   D316      -0.29843  -0.00011   0.00704   0.00000   0.00704  -0.29139
   D317       1.76497  -0.00007   0.01059   0.00000   0.01059   1.77556
   D318       0.11728   0.00007   0.01500   0.00000   0.01500   0.13229
   D319       2.18068   0.00012   0.01855   0.00000   0.01855   2.19924
   D320       0.23210   0.00049   0.03080   0.00000   0.03080   0.26290
   D321       2.29550   0.00054   0.03436   0.00000   0.03436   2.32985
   D322      -0.56615  -0.00016   0.01234   0.00000   0.01234  -0.55381
   D323       1.49725  -0.00011   0.01589   0.00000   0.01589   1.51314
   D324      -0.60692  -0.00020   0.01578   0.00000   0.01578  -0.59114
   D325       1.45648  -0.00015   0.01933   0.00000   0.01933   1.47581
   D326       0.01085   0.00003   0.03924   0.00000   0.03924   0.05009
   D327       2.21195  -0.00010   0.02403   0.00000   0.02403   2.23598
   D328       0.32194  -0.00014   0.03710   0.00000   0.03710   0.35904
   D329       2.52304  -0.00028   0.02189   0.00000   0.02189   2.54493
   D330       0.67881  -0.00010   0.04244   0.00000   0.04244   0.72126
   D331       2.87991  -0.00024   0.02723   0.00000   0.02723   2.90714
   D332       0.95090   0.00095   0.04862   0.00000   0.04862   0.99953
   D333      -3.13118   0.00081   0.03341   0.00000   0.03341  -3.09777
   D334       0.27239   0.00005   0.03230   0.00000   0.03230   0.30469
   D335       2.47348  -0.00009   0.01709   0.00000   0.01709   2.49057
   D336       0.64852  -0.00006   0.03961   0.00000   0.03961   0.68813
   D337       2.84962  -0.00020   0.02439   0.00000   0.02439   2.87401
   D338      -2.40714   0.00034   0.04411   0.00000   0.04411  -2.36303
   D339      -0.20604   0.00020   0.02890   0.00000   0.02890  -0.17714
   D340      -2.02530   0.00010   0.04276   0.00000   0.04276  -1.98254
   D341       0.17580  -0.00004   0.02754   0.00000   0.02754   0.20334
   D342      -1.98205   0.00002   0.04252   0.00000   0.04252  -1.93953
   D343       0.21905  -0.00012   0.02731   0.00000   0.02731   0.24636
   D344      -1.69232   0.00034   0.04677   0.00000   0.04677  -1.64555
   D345       0.50878   0.00020   0.03156   0.00000   0.03156   0.54033
   D346      -1.64685   0.00008   0.04102   0.00000   0.04102  -1.60583
   D347       0.55425  -0.00006   0.02581   0.00000   0.02581   0.58006
   D348      -1.34582   0.00032   0.04158   0.00000   0.04158  -1.30423
   D349       0.85528   0.00019   0.02637   0.00000   0.02637   0.88165
   D350       1.75812   0.00025   0.04441   0.00000   0.04441   1.80253
   D351      -2.32397   0.00011   0.02920   0.00000   0.02920  -2.29477
   D352       2.17829   0.00043   0.04978   0.00000   0.04978   2.22807
   D353      -1.90380   0.00029   0.03457   0.00000   0.03457  -1.86923
   D354       2.39846   0.00049   0.05023   0.00000   0.05023   2.44869
   D355      -1.68363   0.00035   0.03502   0.00000   0.03502  -1.64861
   D356       3.02898   0.00038   0.05987   0.00000   0.05987   3.08885
   D357      -1.05310   0.00024   0.04465   0.00000   0.04465  -1.00845
   D358       2.51572   0.00019   0.04695   0.00000   0.04695   2.56267
   D359      -1.56637   0.00005   0.03173   0.00000   0.03173  -1.53463
   D360       1.58519   0.00017   0.02788   0.00000   0.02788   1.61307
   D361      -2.49689   0.00003   0.01266   0.00000   0.01266  -2.48423
   D362       1.76447  -0.00058   0.01738   0.00000   0.01738   1.78184
   D363      -2.31762  -0.00072   0.00216   0.00000   0.00216  -2.31546
   D364       2.71292  -0.00007   0.02657   0.00000   0.02657   2.73949
   D365      -1.36917  -0.00021   0.01136   0.00000   0.01136  -1.35781
   D366       2.68671   0.00000   0.03020   0.00000   0.03020   2.71691
   D367      -1.39538  -0.00014   0.01499   0.00000   0.01499  -1.38039
   D368       0.03632  -0.00030   0.00400   0.00000   0.00400   0.04031
   D369      -2.57378  -0.00009  -0.00439   0.00000  -0.00439  -2.57817
   D370       0.43155  -0.00049   0.00857   0.00000   0.00857   0.44012
   D371      -2.17855  -0.00028   0.00018   0.00000   0.00018  -2.17837
   D372       0.63188  -0.00046   0.01713   0.00000   0.01713   0.64901
   D373      -1.97822  -0.00025   0.00874   0.00000   0.00874  -1.96948
   D374       0.89733   0.00069   0.02290   0.00000   0.02290   0.92023
   D375      -1.71277   0.00090   0.01451   0.00000   0.01451  -1.69826
   D376       0.67555  -0.00013   0.01017   0.00000   0.01017   0.68572
   D377      -1.93454   0.00008   0.00178   0.00000   0.00178  -1.93276
   D378       1.01297  -0.00030   0.01142   0.00000   0.01142   1.02438
   D379      -1.59713  -0.00009   0.00303   0.00000   0.00303  -1.59410
   D380      -2.79887  -0.00038   0.01629   0.00000   0.01629  -2.78258
   D381       0.87422  -0.00017   0.00790   0.00000   0.00790   0.88212
   D382      -2.24506  -0.00050   0.02123   0.00000   0.02123  -2.22383
   D383       1.42803  -0.00029   0.01284   0.00000   0.01284   1.44087
   D384      -1.99815  -0.00041   0.01781   0.00000   0.01781  -1.98034
   D385       1.67493  -0.00021   0.00942   0.00000   0.00942   1.68436
   D386      -1.66683  -0.00008   0.01944   0.00000   0.01944  -1.64739
   D387       2.00626   0.00013   0.01105   0.00000   0.01105   2.01731
   D388      -1.72513  -0.00057   0.02773   0.00000   0.02773  -1.69739
   D389       1.94796  -0.00036   0.01935   0.00000   0.01935   1.96731
   D390      -1.13055   0.00015   0.02429   0.00000   0.02429  -1.10626
   D391       2.54254   0.00036   0.01590   0.00000   0.01590   2.55844
   D392       1.76533  -0.00022   0.01415   0.00000   0.01415   1.77948
   D393      -0.84477  -0.00001   0.00576   0.00000   0.00576  -0.83901
   D394       2.06532  -0.00020   0.01372   0.00000   0.01372   2.07904
   D395      -0.54478   0.00001   0.00533   0.00000   0.00533  -0.53945
   D396       2.01907  -0.00041   0.00401   0.00000   0.00401   2.02308
   D397      -0.59103  -0.00020  -0.00438   0.00000  -0.00438  -0.59541
   D398       2.21695  -0.00058   0.00192   0.00000   0.00192   2.21888
   D399      -0.39314  -0.00037  -0.00647   0.00000  -0.00647  -0.39961
   D400       2.46483  -0.00024   0.01577   0.00000   0.01577   2.48060
   D401      -0.14527  -0.00004   0.00738   0.00000   0.00738  -0.13789
   D402      -1.52870  -0.00026  -0.00020   0.00000  -0.00020  -1.52890
   D403       2.14438  -0.00005  -0.00859   0.00000  -0.00859   2.13579
   D404      -2.64800   0.00021   0.01971   0.00000   0.01971  -2.62829
   D405       1.02509   0.00042   0.01132   0.00000   0.01132   1.03641
   D406      -3.00995  -0.00016   0.01832   0.00000   0.01832  -2.99164
   D407       0.66313   0.00005   0.00993   0.00000   0.00993   0.67306
   D408       1.90530  -0.00032  -0.00554   0.00000  -0.00554   1.89975
   D409       2.39801  -0.00055  -0.00618   0.00000  -0.00618   2.39183
   D410       2.61862  -0.00028   0.00510   0.00000   0.00510   2.62372
   D411       2.84767   0.00079   0.00921   0.00000   0.00921   2.85688
   D412       2.82029  -0.00028  -0.01040   0.00000  -0.01040   2.80989
   D413      -2.96608  -0.00049  -0.00919   0.00000  -0.00919  -2.97526
   D414      -0.77222  -0.00004   0.00583   0.00000   0.00583  -0.76639
   D415      -0.39364  -0.00010   0.00857   0.00000   0.00857  -0.38507
   D416      -0.08322  -0.00017   0.00665   0.00000   0.00665  -0.07657
   D417       0.22549   0.00006   0.00702   0.00000   0.00702   0.23252
   D418      -0.25882  -0.00006   0.01100   0.00000   0.01100  -0.24782
   D419       0.05057   0.00024   0.01550   0.00000   0.01550   0.06607
   D420      -2.57614  -0.00003  -0.00024   0.00000  -0.00024  -2.57638
   D421      -2.19635  -0.00002   0.00319   0.00000   0.00319  -2.19316
   D422      -1.94910  -0.00012  -0.00226   0.00000  -0.00226  -1.95136
   D423      -1.63720  -0.00030   0.00032   0.00000   0.00032  -1.63688
   D424      -1.98134  -0.00022   0.00499   0.00000   0.00499  -1.97634
   D425       1.35483  -0.00048  -0.01530   0.00000  -0.01530   1.33953
   D426       2.47902   0.00038   0.00788   0.00000   0.00788   2.48691
   D427       2.95151  -0.00035   0.00406   0.00000   0.00406   2.95557
   D428      -3.01504  -0.00028  -0.05524   0.00000  -0.05524  -3.07029
   D429       0.06024  -0.00005  -0.02799   0.00000  -0.02799   0.03224
   D430       0.14932  -0.00238  -0.10695   0.00000  -0.10695   0.04237
   D431      -3.05858  -0.00215  -0.07971   0.00000  -0.07971  -3.13829
   D432      -0.03442  -0.00012  -0.05047   0.00000  -0.05047  -0.08489
   D433       2.03397   0.00063  -0.01915   0.00000  -0.01915   2.01483
   D434      -2.14001  -0.00021  -0.04204   0.00000  -0.04204  -2.18205
   D435      -3.11177  -0.00040  -0.07766   0.00000  -0.07766   3.09376
   D436      -1.04338   0.00036  -0.04634   0.00000  -0.04634  -1.08971
   D437       1.06582  -0.00048  -0.06923   0.00000  -0.06923   0.99659
   D438      -2.34341  -0.00008  -0.02599   0.00000  -0.02599  -2.36939
   D439      -0.26630   0.00072  -0.01249   0.00000  -0.01249  -0.27879
   D440       1.84339  -0.00002  -0.01527   0.00000  -0.01527   1.82812
   D441       0.73402   0.00021   0.00108   0.00000   0.00108   0.73510
   D442       2.81113   0.00100   0.01457   0.00000   0.01457   2.82570
   D443      -1.36236   0.00027   0.01179   0.00000   0.01179  -1.35057
   D444      -0.04371   0.00041   0.04274   0.00000   0.04274  -0.00097
   D445       3.10091   0.00032   0.01261   0.00000   0.01261   3.11352
   D446       3.12223   0.00036   0.03963   0.00000   0.03963  -3.12132
   D447      -0.01633   0.00026   0.00949   0.00000   0.00949  -0.00684
   D448       2.43842  -0.00020  -0.01294   0.00000  -0.01294   2.42548
   D449      -1.76314  -0.00006  -0.01022   0.00000  -0.01022  -1.77335
   D450       0.33946   0.00027  -0.00482   0.00000  -0.00482   0.33464
   D451      -0.70605  -0.00011   0.01574   0.00000   0.01574  -0.69031
   D452       1.37558   0.00002   0.01846   0.00000   0.01846   1.39404
   D453      -2.80501   0.00035   0.02386   0.00000   0.02386  -2.78115
   D454       2.04771   0.00001   0.01301   0.00000   0.01301   2.06071
   D455      -2.15387   0.00017   0.01580   0.00000   0.01580  -2.13807
   D456      -0.06083   0.00013   0.01615   0.00000   0.01615  -0.04468
   D457      -1.09100  -0.00008  -0.01565   0.00000  -0.01565  -1.10666
   D458       0.99060   0.00008  -0.01285   0.00000  -0.01285   0.97775
   D459       3.08364   0.00004  -0.01250   0.00000  -0.01250   3.07114
   D460      -3.12468   0.00077   0.03353   0.00000   0.03353  -3.09115
   D461      -0.05662   0.00064   0.02624   0.00000   0.02624  -0.03037
   D462       0.05667  -0.00031   0.00667   0.00000   0.00667   0.06334
   D463       3.12473  -0.00044  -0.00062   0.00000  -0.00062   3.12411
   D464       1.97114  -0.00031  -0.02634   0.00000  -0.02634   1.94480
   D465      -2.24543   0.00015  -0.01040   0.00000  -0.01040  -2.25583
   D466      -0.13753  -0.00032  -0.02559   0.00000  -0.02559  -0.16312
   D467      -1.10078  -0.00014  -0.01847   0.00000  -0.01847  -1.11924
   D468       0.96584   0.00032  -0.00253   0.00000  -0.00253   0.96331
   D469       3.07373  -0.00015  -0.01771   0.00000  -0.01771   3.05602
   D470      -1.67396  -0.00002   0.02194   0.00000   0.02194  -1.65202
   D471       0.43092   0.00022   0.02142   0.00000   0.02142   0.45234
   D472       2.52699   0.00008   0.01774   0.00000   0.01774   2.54473
   D473       1.39826  -0.00019   0.01409   0.00000   0.01409   1.41235
   D474      -2.78005   0.00004   0.01357   0.00000   0.01357  -2.76647
   D475      -0.68398  -0.00009   0.00989   0.00000   0.00989  -0.67408
   D476      -0.02441   0.00109   0.02487   0.00000   0.02487   0.00047
   D477      -3.13497   0.00139   0.03341   0.00000   0.03341  -3.10156
   D478      -3.12804  -0.00231  -0.03813   0.00000  -0.03813   3.11701
   D479       0.04458  -0.00202  -0.02960   0.00000  -0.02960   0.01499
   D480      -0.42183   0.00028   0.06256   0.00000   0.06256  -0.35927
   D481       1.69614  -0.00032   0.05270   0.00000   0.05270   1.74884
   D482      -2.52606   0.00103   0.07839   0.00000   0.07839  -2.44767
   D483       2.69061  -0.00003   0.05400   0.00000   0.05400   2.74461
   D484      -1.47461  -0.00063   0.04414   0.00000   0.04414  -1.43046
   D485       0.58639   0.00072   0.06983   0.00000   0.06983   0.65621
   D486      -0.03744   0.00078   0.04222   0.00000   0.04222   0.00478
   D487       2.07854   0.00009   0.01881   0.00000   0.01881   2.09735
   D488      -2.12939   0.00006   0.02907   0.00000   0.02907  -2.10032
   D489       3.13379   0.00108   0.05028   0.00000   0.05028  -3.09911
   D490      -1.03341   0.00040   0.02687   0.00000   0.02687  -1.00654
   D491       1.04184   0.00036   0.03713   0.00000   0.03713   1.07898
         Item               Value     Threshold  Converged?
 Maximum Force            0.007714     0.000450     NO 
 RMS     Force            0.000556     0.000300     NO 
 Maximum Displacement     0.279996     0.001800     NO 
 RMS     Displacement     0.021590     0.001200     NO 
 Predicted change in Energy=-2.137102D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:49:14 2016, MaxMem=  2952790016 cpu:         6.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833718   -0.606296    1.681101
      2          6           0       -2.098271    1.103064   -1.346181
      3          8           0       -2.649230    0.118643   -1.869340
      4          7           0       -0.803478    1.154886   -0.930563
      5          1           0       -2.647128    2.044358   -1.142961
      6          6           0       -0.262218    2.328596   -0.244155
      7          1           0       -1.019766    3.124196   -0.219440
      8          1           0        0.022303    2.060168    0.786293
      9          1           0        0.632220    2.692072   -0.776035
     10          6           0        0.109323    0.022015   -1.102749
     11          1           0        0.682842   -0.124295   -0.174034
     12          1           0       -0.470692   -0.884125   -1.321417
     13          1           0        0.814377    0.217749   -1.927487
     14          6           0       -1.984345   -4.023160    2.610186
     15          8           0       -2.106389   -3.875413    3.838271
     16          7           0       -2.928161   -3.715927    1.679294
     17          1           0       -1.052461   -4.413096    2.154631
     18          6           0       -4.230370   -3.160265    2.056132
     19          1           0       -4.500675   -2.368024    1.339986
     20          1           0       -5.008739   -3.941069    2.030318
     21          1           0       -4.168364   -2.737484    3.067238
     22          6           0       -2.681085   -3.892707    0.248028
     23          1           0       -3.389062   -4.624642   -0.174234
     24          1           0       -2.819140   -2.930749   -0.272705
     25          1           0       -1.652131   -4.245463    0.091717
     26          6           0        1.535358    0.380255    2.622725
     27          8           0        1.348995    1.395527    3.314830
     28          7           0        1.170788   -0.885557    2.964264
     29          1           0        2.020728    0.427197    1.627990
     30          6           0        1.487305   -2.031539    2.111650
     31          1           0        2.236201   -2.677664    2.599759
     32          1           0        0.577168   -2.627360    1.935891
     33          1           0        1.878561   -1.676770    1.148319
     34          6           0        0.531732   -1.170813    4.251402
     35          1           0        1.281940   -1.479436    4.999435
     36          1           0        0.012467   -0.271091    4.605122
     37          1           0       -0.191516   -1.988504    4.118438
     38          6           0       -4.609324    1.208947    2.902395
     39          8           0       -4.868273    1.851207    1.870719
     40          7           0       -3.510683    1.380845    3.687125
     41          1           0       -5.266441    0.394173    3.268843
     42          6           0       -2.489528    2.383994    3.371699
     43          1           0       -2.558579    2.652184    2.309216
     44          1           0       -2.626715    3.286713    3.989980
     45          1           0       -1.495636    1.959787    3.579685
     46          6           0       -3.266512    0.540391    4.859717
     47          1           0       -4.076821   -0.194331    4.962887
     48          1           0       -2.307552    0.008311    4.742382
     49          1           0       -3.214536    1.160633    5.769530
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486594   0.000000
     3  O    3.714327   1.243517   0.000000
     4  N    3.314203   1.360850   2.315577   0.000000
     5  H    3.957642   1.108411   2.058156   2.057989   0.000000
     6  C    3.845753   2.467281   3.636336   1.463459   2.564456
     7  H    4.265108   2.552977   3.796138   2.104913   2.160381
     8  H    3.369797   3.155998   4.237805   2.109276   3.293650
     9  H    4.795581   3.210232   4.311121   2.109040   3.362780
    10  C    3.452536   2.470101   2.864718   1.465009   3.418993
    11  H    3.163373   3.258056   3.746436   2.101854   4.090303
    12  H    3.309100   2.568764   2.460039   2.102636   3.653044
    13  H    4.551194   3.099229   3.465512   2.118853   3.991741
    14  C    3.544128   6.476418   6.136999   6.383064   7.165205
    15  O    3.926176   7.187756   6.987416   7.052890   7.755563
    16  N    3.296606   5.750208   5.232068   5.920342   6.420668
    17  H    3.914884   6.616451   6.267269   6.370465   7.424000
    18  C    3.522407   5.856412   5.353557   6.267732   6.311018
    19  H    3.214453   5.003548   4.462189   5.588877   5.391639
    20  H    4.617729   6.731630   6.103759   7.240151   7.174416
    21  H    3.451653   6.205913   5.902121   6.515781   6.550262
    22  C    3.684051   5.276259   4.535989   5.512956   6.097929
    23  H    4.691319   5.987171   5.091119   6.376537   6.779709
    24  H    3.192412   4.235995   3.446289   4.603051   5.053575
    25  H    3.975255   5.556378   4.887267   5.561388   6.486624
    26  C    3.634641   5.429358   6.144743   4.323895   5.868801
    27  O    4.099515   5.804670   6.670221   4.765964   6.021784
    28  N    3.278956   5.763792   6.242169   4.819835   6.326940
    29  H    3.990950   5.125294   5.842519   3.879673   5.664120
    30  C    3.639490   5.885464   6.130455   4.965486   6.655747
    31  H    4.658191   6.975098   7.187462   6.032517   7.755794
    32  H    3.156262   5.643229   5.694730   4.942482   6.457581
    33  H    3.900101   5.455749   5.729804   4.419656   6.291153
    34  C    3.538429   6.589413   7.017456   5.834760   7.038581
    35  H    4.634764   7.639500   8.073909   6.815680   8.098377
    36  H    3.474286   6.462315   7.011075   5.774338   6.743530
    37  H    3.247759   6.561674   6.806901   5.978947   7.069393
    38  C    3.534212   4.936293   5.272588   5.401754   4.573076
    39  O    3.909450   4.310576   4.681236   4.985438   3.748740
    40  N    3.284064   5.235097   5.762774   5.357524   4.951334
    41  H    3.912218   5.642541   5.772923   6.175090   5.389613
    42  C    3.497148   4.904309   5.711900   4.781519   4.530159
    43  H    3.396711   3.996696   4.887471   3.977242   3.506397
    44  H    4.595137   5.789835   6.660991   5.663976   5.281188
    45  H    3.209938   5.036000   5.866213   4.633496   4.861735
    46  C    3.670339   6.339918   6.770459   6.322300   6.219140
    47  H    3.996416   6.738117   6.986794   6.875166   6.658612
    48  H    3.158116   6.189740   6.621463   5.979897   6.236831
    49  H    4.663041   7.202965   7.730307   7.120708   6.991813
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098849   0.000000
     8  H    1.102193   1.797098   0.000000
     9  H    1.102284   1.795992   1.792253   0.000000
    10  C    2.489085   3.417398   2.780310   2.740323   0.000000
    11  H    2.629588   3.667920   2.475969   2.880433   1.101291
    12  H    3.394927   4.193146   3.654360   3.781936   1.097872
    13  H    2.906603   3.837830   3.374388   2.735196   1.102545
    14  C    7.173408   7.747380   6.660338   7.962867   5.876459
    15  O    7.652248   8.163351   7.005500   8.480782   6.671806
    16  N    6.880637   7.350812   6.547211   7.730938   5.562219
    17  H    7.199241   7.902408   6.703030   7.868314   5.624097
    18  C    7.152982   7.414894   6.852054   8.118855   6.240062
    19  H    6.521676   6.686779   6.353959   7.511906   5.738582
    20  H    8.186048   8.419696   7.929302   9.148475   7.191433
    21  H    7.203365   7.421267   6.766230   8.203440   6.580443
    22  C    6.693114   7.226025   6.560089   7.442178   4.993598
    23  H    7.624275   8.103092   7.566156   8.370614   5.890014
    24  H    5.848023   6.316877   5.839909   6.616747   4.240717
    25  H    6.727772   7.403282   6.561033   7.355314   4.768735
    26  C    3.904653   4.704867   2.912718   4.208530   4.005130
    27  O    4.016591   4.592428   2.931784   4.350859   4.789397
    28  N    4.762168   5.568897   3.839254   5.203780   4.300115
    29  H    3.511707   4.464460   2.714545   3.582869   3.357763
    30  C    5.255609   6.188780   4.543663   5.602000   4.055648
    31  H    6.276351   7.225703   5.535075   6.542386   5.051776
    32  H    5.478930   6.346341   4.858228   5.971092   4.058497
    33  H    4.750250   5.772377   4.188253   4.933891   3.329171
    34  C    5.752065   6.390828   4.765054   6.340907   5.501654
    35  H    6.661889   7.329934   5.645002   7.153996   6.392654
    36  H    5.509021   5.989147   4.474184   6.174243   5.716212
    37  H    6.137961   6.755951   5.247919   6.822184   5.602988
    38  C    5.481945   5.128250   5.162793   6.572997   6.302033
    39  O    5.090808   4.560731   5.013719   6.161800   6.079796
    40  N    5.187073   4.950272   4.621504   6.229186   6.155791
    41  H    6.412909   6.136399   6.075312   7.512362   6.938888
    42  C    4.247161   3.950237   3.619182   5.200376   5.688027
    43  H    3.449303   2.997473   3.054624   4.438644   5.067248
    44  H    4.943353   4.508649   4.334204   5.804236   6.639281
    45  H    4.034736   4.001956   3.180763   4.902684   5.315641
    46  C    6.186515   6.125500   5.451496   7.182725   6.871388
    47  H    6.930342   6.871296   6.271325   7.965024   7.373096
    48  H    5.867935   5.998901   5.028815   6.804245   6.325111
    49  H    6.800348   6.673856   6.009904   7.745144   7.718336
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795680   0.000000
    13  H    1.791338   1.798013   0.000000
    14  C    5.483331   5.253778   6.812388   0.000000
    15  O    6.160299   6.184310   7.650413   1.242946   0.000000
    16  N    5.419777   4.802345   6.518379   1.360786   2.315583
    17  H    5.179552   4.987484   6.449302   1.108147   2.057793
    18  C    6.191156   5.542908   7.261520   2.469046   2.863347
    19  H    5.847686   5.052305   6.753694   3.268761   3.774422
    20  H    7.198682   6.416612   8.177327   3.080575   3.420036
    21  H    6.392871   6.030589   7.649078   2.575228   2.478128
    22  C    5.069031   4.049761   5.817815   2.466223   3.635990
    23  H    6.069063   4.881023   6.647673   3.176163   4.278644
    24  H    4.488852   3.286894   5.084662   3.193948   4.277912
    25  H    4.744128   3.832928   5.484625   2.549995   3.792091
    26  C    2.967021   4.602081   4.609843   5.637245   5.731543
    27  O    3.863391   5.477486   5.399525   6.400769   6.324276
    28  N    3.265965   4.589283   5.027280   4.463719   4.521395
    29  H    2.311141   4.077467   3.760394   6.067207   6.358529
    30  C    3.083681   4.115368   4.671912   4.033292   4.392690
    31  H    4.077566   5.091136   5.558863   4.429840   4.671895
    32  H    3.275406   3.840173   4.803811   2.994041   3.518261
    33  H    2.364009   3.499552   3.765936   4.750226   5.286747
    34  C    4.550002   5.669511   6.339295   4.142477   3.800687
    35  H    5.381459   6.586294   7.147118   4.779922   4.309267
    36  H    4.828176   5.977718   6.599773   4.695215   4.250735
    37  H    4.760787   5.557842   6.514029   3.103044   2.702898
    38  C    6.264900   6.272943   7.329855   5.860959   5.743803
    39  O    6.236866   6.083625   7.027593   6.585745   6.655332
    40  N    5.895732   6.281491   7.182118   5.717759   5.442714
    41  H    6.893199   6.760454   8.000583   5.542455   5.342242
    42  C    5.378445   6.064786   6.609824   6.471996   6.288455
    43  H    4.937832   5.481446   5.937421   6.706753   6.719524
    44  H    6.318795   7.089095   7.501738   7.466640   7.182604
    45  H    4.814517   5.758398   6.220916   6.080659   5.872771
    46  C    6.432562   6.931974   7.926153   5.246935   4.678521
    47  H    7.003374   7.278218   8.459957   4.957175   4.324087
    48  H    5.755970   6.398449   7.367324   4.572031   3.992642
    49  H    7.222642   7.873452   8.738721   6.194072   5.506316
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056755   0.000000
    18  C    1.465099   3.417367   0.000000
    19  H    2.098756   4.090984   1.101625   0.000000
    20  H    2.121960   3.986277   1.102805   1.791412   0.000000
    21  H    2.102818   3.653681   1.097691   1.797312   1.797234
    22  C    1.463155   2.560929   2.491184   2.613033   2.932042
    23  H    2.115127   3.305763   2.797629   2.936132   2.819694
    24  H    2.106820   3.348203   2.732715   2.396872   3.334517
    25  H    2.104533   2.154836   3.418171   3.632789   3.888142
    26  C    6.131213   5.467370   6.789694   6.755158   7.864477
    27  O    6.862652   6.391647   7.312242   7.230696   8.399405
    28  N    5.144271   4.247572   5.930557   6.082884   6.956649
    29  H    6.454426   5.757627   7.220071   7.101050   8.285953
    30  C    4.745570   3.481963   5.828286   6.046867   6.771374
    31  H    5.347512   3.745018   6.507302   6.860642   7.376287
    32  H    3.679422   2.427424   4.838477   5.119262   5.739085
    33  H    5.248302   4.134130   6.351686   6.419441   7.303415
    34  C    5.006416   4.173549   5.608453   5.935889   6.580604
    35  H    5.809490   4.706240   6.470995   6.900710   7.378884
    36  H    5.392092   4.929014   5.731173   5.952033   6.731335
    37  H    4.052485   3.236728   4.683853   5.141273   5.601642
    38  C    5.345715   6.694609   4.466519   3.904824   5.238580
    39  O    5.898615   7.340471   5.055310   4.268339   5.796177
    40  N    5.508884   6.477743   4.878501   4.532457   5.771651
    41  H    4.988702   6.489140   3.895914   3.454941   4.516047
    42  C    6.345524   7.053144   5.958193   5.545651   6.939175
    43  H    6.409854   7.225681   6.053388   5.469335   7.039322
    44  H    7.380183   8.070554   6.919177   6.519988   7.858444
    45  H    6.154457   6.545290   6.001243   5.725073   7.040066
    46  C    5.324078   6.062717   4.741726   4.729751   5.578919
    47  H    4.950055   5.901782   4.155667   4.246176   4.848348
    48  H    4.861852   5.274518   4.577449   4.693938   5.499937
    49  H    6.371255   6.986310   5.787177   5.807447   6.574819
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390352   0.000000
    23  H    3.830903   1.102391   0.000000
    24  H    3.607351   1.102536   1.789911   0.000000
    25  H    4.178415   1.098916   1.797620   1.795323   0.000000
    26  C    6.515392   6.455679   7.557903   6.189339   6.161441
    27  O    6.898139   7.322038   8.418147   6.997172   7.156534
    28  N    5.652148   5.590869   6.680057   5.529946   5.244937
    29  H    7.098697   6.532451   7.618066   6.189730   6.138711
    30  C    5.779109   4.930772   5.977325   5.003918   4.340236
    31  H    6.421882   5.584503   6.567294   5.819929   4.885427
    32  H    4.879769   3.881519   4.916578   4.062615   3.314967
    33  H    6.432159   5.148910   6.179559   5.065586   4.492258
    34  C    5.093879   5.810156   6.847468   5.898581   5.614776
    35  H    5.917929   6.641183   7.647054   6.835249   6.351801
    36  H    5.091908   6.273404   7.305208   6.235782   6.239979
    37  H    4.181066   4.980363   5.966621   5.203304   4.841667
    38  C    3.974410   6.065530   6.707120   5.515715   6.811424
    39  O    4.793497   6.356844   6.950289   5.626750   7.118834
    40  N    4.216330   6.350274   7.140782   5.894772   6.930838
    41  H    3.324709   5.846943   6.369289   5.439389   6.684579
    42  C    5.398215   7.013629   7.905934   6.452660   7.443737
    43  H    5.675784   6.862879   7.733655   6.156570   7.301814
    44  H    6.286420   8.096249   8.972814   7.540845   8.536975
    45  H    5.428667   6.837903   7.812277   6.364740   7.120080
    46  C    3.843277   6.423610   7.213408   6.212142   6.945822
    47  H    3.173246   6.152720   6.818408   6.039964   6.783737
    48  H    3.715927   5.962943   6.841566   5.835314   6.336627
    49  H    4.838129   7.503853   8.296277   7.307829   7.994032
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242786   0.000000
    28  N    1.360823   2.314735   0.000000
    29  H    1.107829   2.057746   2.057024   0.000000
    30  C    2.465818   3.634770   1.463014   2.562001   0.000000
    31  H    3.137288   4.229580   2.116511   3.260510   1.102984
    32  H    3.230421   4.322131   2.108036   3.392490   1.101928
    33  H    2.554019   3.796474   2.103477   2.162631   1.098612
    34  C    2.462858   2.851523   1.465090   3.413655   2.496500
    35  H    3.028435   3.332836   2.122962   3.943057   2.947252
    36  H    2.583282   2.495751   2.100402   3.658419   3.389945
    37  H    3.290937   3.804027   2.098685   4.114847   2.616771
    38  C    6.206615   5.975490   6.148209   6.796531   6.949454
    39  O    6.613298   6.399025   6.719819   7.038825   7.451653
    40  N    5.253253   4.873940   5.251217   5.978796   6.253509
    41  H    6.832433   6.690951   6.570266   7.469694   7.268856
    42  C    4.558031   3.964159   4.924823   5.216511   6.074525
    43  H    4.692577   4.226060   5.181976   5.136603   6.192372
    44  H    5.257351   4.454064   5.734192   5.945970   6.981196
    45  H    3.549313   2.912124   3.947726   4.303808   5.194588
    46  C    5.299786   4.941744   5.031471   6.197724   6.063454
    47  H    6.107623   5.889245   5.657710   6.977674   6.516470
    48  H    4.404458   4.163245   4.007437   5.348730   5.048037
    49  H    5.750902   5.187151   5.593521   6.715525   6.758503
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787636   0.000000
    33  H    1.798992   1.793744   0.000000
    34  C    2.811359   2.735907   3.420390   0.000000
    35  H    2.846895   3.346601   3.902050   1.103455   0.000000
    36  H    3.841623   3.604953   4.172256   1.097384   1.796424
    37  H    2.945358   2.400526   3.633731   1.099720   1.790636
    38  C    7.877725   6.523119   7.314150   5.823533   6.806759
    39  O    8.456697   7.050860   7.647761   6.630257   7.662060
    40  N    7.119027   5.986907   6.696156   4.813573   5.733463
    41  H    8.134710   6.712242   7.735404   6.085509   7.027564
    42  C    6.967696   6.048127   6.365015   4.747477   5.639112
    43  H    7.175069   6.151900   6.306801   5.285585   6.249572
    44  H    7.820132   7.032810   7.280708   5.469338   6.246019
    45  H    6.032646   5.295328   5.524608   3.789733   4.643153
    46  C    6.763367   5.775576   6.720271   4.210097   4.978717
    47  H    7.183701   6.061513   7.226003   4.764292   5.510820
    48  H    5.696576   4.810900   5.768910   3.113346   3.894087
    49  H    7.381769   6.589591   7.439495   4.666356   5.270797
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796657   0.000000
    38  C    5.143029   5.587440   0.000000
    39  O    5.983538   6.455050   1.242541   0.000000
    40  N    3.998025   4.749254   1.361015   2.315950   0.000000
    41  H    5.485900   5.670435   1.109029   2.058212   2.056980
    42  C    3.851076   4.995720   2.468707   2.862731   1.465797
    43  H    4.519624   5.514731   2.576887   2.483652   2.102722
    44  H    4.472321   5.811592   3.070943   3.402429   2.122605
    45  H    2.881443   4.192849   3.273764   3.782464   2.099317
    46  C    3.387481   4.049741   2.466014   3.635656   1.463200
    47  H    4.105626   4.362080   2.549191   3.791058   2.104580
    48  H    2.340811   2.975598   3.182017   4.266147   2.108303
    49  H    3.717423   4.667100   3.188767   4.290975   2.114854
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417779   0.000000
    43  H    3.654041   1.097982   0.000000
    44  H    3.981831   1.102721   1.797843   0.000000
    45  H    4.094721   1.100468   1.795370   1.791205   0.000000
    46  C    2.559684   2.493347   3.386133   2.950944   2.605603
    47  H    2.152050   3.420400   4.177280   3.894485   3.635379
    48  H    3.327947   2.748774   3.601857   3.378741   2.412329
    49  H    3.324337   2.787803   3.824759   2.834175   2.896323
                   46         47         48         49
    46  C    0.000000
    47  H    1.098663   0.000000
    48  H    1.102942   1.794435   0.000000
    49  H    1.102344   1.797258   1.790392   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2139804      0.1938998      0.1842569
 Leave Link  202 at Mon Nov 14 02:49:15 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.1162976570 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839610466 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.9323366104 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4021
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.96D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     210
 GePol: Fraction of low-weight points (<1% of avg)   =       5.22%
 GePol: Cavity surface area                          =    467.193 Ang**2
 GePol: Cavity volume                                =    457.836 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040179251 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.9283186853 Hartrees.
 Leave Link  301 at Mon Nov 14 02:49:15 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37493.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:49:16 2016, MaxMem=  2952790016 cpu:        14.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:49:16 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Lowest energy guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000001    0.000000   -0.000004
         Rot=    1.000000    0.000000    0.000000    0.000001 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 B after Tr=     0.001210   -0.000303    0.004044
         Rot=    1.000000   -0.000176    0.000477   -0.000593 Ang=  -0.09 deg.
 Guess basis will be translated and rotated to current coordinates.
 CkInt1:  FT= 9.29D-04
 Max alpha theta=  2.188 degrees.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 02:49:17 2016, MaxMem=  2952790016 cpu:        12.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48505323.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.04D-14 for   2576.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.73D-15 for   3397   2526.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   3782.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.65D-12 for   2010   1916.
 E= -1013.45129818057    
 DIIS: error= 1.30D-07 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45129818057     IErMin= 1 ErrMin= 1.30D-07
 ErrMax= 1.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-11 BMatP= 1.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=    16.408 Goal=   None    Shift=    0.000
 RMSDP=3.35D-08 MaxDP=1.33D-06              OVMax= 1.67D-06

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.34D-08    CP:  1.00D+00
 E= -1013.45129818065     Delta-E=       -0.000000000078 Rises=F Damp=F
 DIIS: error= 2.13D-07 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45129818065     IErMin= 1 ErrMin= 1.30D-07
 ErrMax= 2.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-11 BMatP= 1.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.591D+00 0.409D+00
 Coeff:      0.591D+00 0.409D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.60D-08 MaxDP=1.26D-06 DE=-7.78D-11 OVMax= 1.68D-06

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.47D-08    CP:  1.00D+00  8.20D-01
 E= -1013.45129818061     Delta-E=        0.000000000044 Rises=F Damp=F
 DIIS: error= 1.28D-07 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45129818065     IErMin= 3 ErrMin= 1.28D-07
 ErrMax= 1.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.89D-12 BMatP= 1.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.873D-01 0.360D+00 0.553D+00
 Coeff:      0.873D-01 0.360D+00 0.553D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.31D-09 MaxDP=4.94D-07 DE= 4.41D-11 OVMax= 9.37D-07

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45129818     A.U. after    3 cycles
            NFock=  3  Conv=0.73D-08     -V/T= 2.0213
 KE= 9.923490865609D+02 PE=-6.027380224072D+03 EE= 2.173651520645D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:50:09 2016, MaxMem=  2952790016 cpu:       563.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11978 LenP2D=   37493.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 02:50:17 2016, MaxMem=  2952790016 cpu:        96.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:50:17 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:50:54 2016, MaxMem=  2952790016 cpu:       439.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.20523193D+00-2.67695748D+00 3.27257161D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000079906    0.000067320   -0.000059784
      2        6           0.000153562   -0.000037021    0.000079800
      3        8           0.000021359    0.000048840   -0.000110169
      4        7           0.000023808    0.000044761    0.000001541
      5        1          -0.000012915    0.000032047    0.000039063
      6        6           0.000075189   -0.000083061   -0.000009570
      7        1           0.000018947    0.000024282    0.000063650
      8        1          -0.000056675   -0.000000252   -0.000055286
      9        1          -0.000009444    0.000059434    0.000053188
     10        6           0.000021472    0.000012150   -0.000000924
     11        1          -0.000008423    0.000060221    0.000039791
     12        1           0.000013074    0.000046800   -0.000013363
     13        1           0.000034816    0.000025163    0.000028048
     14        6          -0.000059503   -0.000017502   -0.000008227
     15        8           0.000006534   -0.000037390   -0.000002988
     16        7          -0.000030276    0.000014899   -0.000044039
     17        1           0.000016944    0.000024677   -0.000023126
     18        6          -0.000000950    0.000001404   -0.000038134
     19        1          -0.000000967   -0.000003991   -0.000037331
     20        1           0.000002064   -0.000006333   -0.000055069
     21        1          -0.000009588   -0.000010626   -0.000052892
     22        6          -0.000008349    0.000016976   -0.000022205
     23        1           0.000031969    0.000010377   -0.000055286
     24        1           0.000044796    0.000004198   -0.000029264
     25        1           0.000020334    0.000016263   -0.000028661
     26        6           0.000032547    0.000075765    0.000106507
     27        8           0.000029488    0.000051341    0.000025204
     28        7           0.000009974    0.000010902    0.000009350
     29        1          -0.000038468    0.000021157    0.000018429
     30        6          -0.000040619   -0.000068249    0.000001140
     31        1           0.000035526    0.000031209   -0.000010999
     32        1          -0.000018391   -0.000032787   -0.000010350
     33        1          -0.000016895    0.000018259    0.000020759
     34        6          -0.000034121   -0.000079898    0.000024422
     35        1          -0.000019454   -0.000004103    0.000001283
     36        1          -0.000035158   -0.000020730   -0.000011015
     37        1          -0.000006854   -0.000030818    0.000009787
     38        6          -0.000070842   -0.000134535    0.000080335
     39        8           0.000020202    0.000005523   -0.000062141
     40        7          -0.000027172    0.000218868    0.000024894
     41        1          -0.000039675   -0.000037475   -0.000026837
     42        6          -0.000203846   -0.000246902    0.000133540
     43        1          -0.000048196    0.000023295    0.000028687
     44        1           0.000021432    0.000045190   -0.000052227
     45        1           0.000040094   -0.000025478    0.000057645
     46        6           0.000156811   -0.000070256   -0.000041156
     47        1           0.000001052   -0.000028670   -0.000004943
     48        1          -0.000086166   -0.000003246    0.000045123
     49        1          -0.000028956   -0.000031998   -0.000026199
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000246902 RMS     0.000055268
 Leave Link  716 at Mon Nov 14 02:50:54 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000104561 RMS     0.000013139
 Search for a local minimum.
 Step number  59 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .13139D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   50   51   52
                                                     53   55   56   58   59
 ITU=  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00000   0.00040   0.00059   0.00099   0.00171
     Eigenvalues ---    0.00203   0.00211   0.00336   0.00386   0.00430
     Eigenvalues ---    0.00552   0.00617   0.00660   0.00707   0.00716
     Eigenvalues ---    0.00785   0.00833   0.00901   0.01014   0.01042
     Eigenvalues ---    0.01126   0.01186   0.01235   0.01287   0.01301
     Eigenvalues ---    0.01414   0.01507   0.01547   0.01644   0.01699
     Eigenvalues ---    0.01715   0.01789   0.01811   0.01873   0.01904
     Eigenvalues ---    0.01917   0.02089   0.02125   0.02259   0.02301
     Eigenvalues ---    0.02447   0.02586   0.02677   0.02913   0.03121
     Eigenvalues ---    0.03378   0.03757   0.04131   0.04358   0.04549
     Eigenvalues ---    0.04768   0.05334   0.05617   0.05898   0.06120
     Eigenvalues ---    0.06165   0.06341   0.06542   0.06776   0.06966
     Eigenvalues ---    0.07022   0.07261   0.07841   0.07987   0.08093
     Eigenvalues ---    0.08134   0.08229   0.08268   0.08423   0.08700
     Eigenvalues ---    0.08752   0.08879   0.09012   0.09193   0.09507
     Eigenvalues ---    0.09578   0.09804   0.09870   0.10121   0.10296
     Eigenvalues ---    0.10396   0.10498   0.10594   0.10981   0.11199
     Eigenvalues ---    0.11220   0.11247   0.11636   0.11686   0.13228
     Eigenvalues ---    0.13584   0.14130   0.14555   0.15069   0.15350
     Eigenvalues ---    0.15591   0.15754   0.21156   0.22394   0.22871
     Eigenvalues ---    0.23576   0.24564   0.24804   0.25489   0.26216
     Eigenvalues ---    0.27066   0.27640   0.28409   0.29269   0.29599
     Eigenvalues ---    0.29842   0.32148   0.32705   0.32819   0.32823
     Eigenvalues ---    0.32870   0.33308   0.33356   0.33370   0.33374
     Eigenvalues ---    0.33411   0.33427   0.33446   0.33516   0.33699
     Eigenvalues ---    0.33792   0.33816   0.33850   0.33925   0.33992
     Eigenvalues ---    0.34018   0.34124   0.34210   0.37320   0.39063
     Eigenvalues ---    0.40626   0.44587   0.85944   0.86120   0.86229
     Eigenvalues ---    0.90984
 Eigenvalue     1 is   6.32D-08 Eigenvector:
                         D381      D375      D383      D373      D369
   1                   -0.20546  -0.20273  -0.20140  -0.20063  -0.19633
                         D371      D397      D389      D379      D399
   1                   -0.19492  -0.19297  -0.19098  -0.19069  -0.18980
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    59   58
 RFO step:  Lambda=-6.92638674D-07.
 NNeg= 0 NP= 2 Switch=  2.50D-03 Rises=F DC=  1.95D-03 SmlDif=  1.00D-05
 RMS Error=  0.1504790910D-03 NUsed= 2 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    0.99973    0.00027
 Iteration  1 RMS(Cart)=  0.00862716 RMS(Int)=  0.00139448
 Iteration  2 RMS(Cart)=  0.00178752 RMS(Int)=  0.00007065
 Iteration  3 RMS(Cart)=  0.00000326 RMS(Int)=  0.00006987
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00006987
 ITry= 1 IFail=0 DXMaxC= 9.90D-02 DCOld= 1.00D+10 DXMaxT= 3.34D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58871   0.00002   0.00002   0.01452   0.01454   6.60324
    R2        6.26294   0.00002   0.00002  -0.00555  -0.00553   6.25741
    R3        7.26742  -0.00002   0.00000  -0.00511  -0.00512   7.26230
    R4        6.36799  -0.00003   0.00001  -0.00097  -0.00096   6.36703
    R5        6.52435   0.00004   0.00001   0.00363   0.00364   6.52799
    R6        5.97791  -0.00001   0.00000   0.00395   0.00395   5.98186
    R7        6.69743   0.00001   0.00001  -0.00411  -0.00410   6.69333
    R8        6.22968   0.00000   0.00000   0.00424   0.00425   6.23393
    R9        6.65638   0.00001   0.00000   0.00193   0.00193   6.65831
   R10        6.07443   0.00001   0.00000  -0.00523  -0.00522   6.06922
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   A178       1.63978   0.00000   0.00000   0.00320   0.00317   1.64295
   A179       1.38874  -0.00001   0.00000   0.00180   0.00178   1.39052
   A180       2.13501   0.00000   0.00000   0.00010   0.00007   2.13509
   A181       1.92095   0.00000   0.00000  -0.01142  -0.01150   1.90946
   A182       2.28736   0.00000   0.00000  -0.00953  -0.00958   2.27778
   A183       2.60717  -0.00001   0.00000  -0.01148  -0.01155   2.59562
   A184       2.26140   0.00001   0.00000  -0.00406  -0.00409   2.25731
   A185       2.33040   0.00000   0.00000  -0.00417  -0.00419   2.32622
   A186       0.69167   0.00002   0.00000  -0.00030  -0.00028   0.69140
   A187       0.98227   0.00002   0.00000  -0.00076  -0.00073   0.98154
   A188       0.70047   0.00001   0.00000  -0.00038  -0.00037   0.70009
   A189       2.09328  -0.00001   0.00000   0.00817   0.00813   2.10141
   A190       1.72221  -0.00001   0.00000   0.00461   0.00461   1.72682
   A191       1.38625   0.00000   0.00000   0.00946   0.00949   1.39574
   A192       1.08394  -0.00001   0.00000   0.00874   0.00877   1.09272
   A193       1.62351  -0.00002   0.00000  -0.00329  -0.00327   1.62024
   A194       1.40517   0.00000   0.00000  -0.00314  -0.00313   1.40204
   A195       0.66643   0.00001   0.00000  -0.00004  -0.00001   0.66642
   A196       2.24995   0.00000   0.00000   0.00211   0.00202   2.25197
   A197       1.85500   0.00000   0.00000   0.00157   0.00157   1.85657
   A198       1.62630   0.00000   0.00000   0.00862   0.00864   1.63494
   A199       1.30789  -0.00001   0.00000   0.00805   0.00810   1.31599
   A200       1.61621  -0.00001   0.00000  -0.00482  -0.00479   1.61143
   A201       1.34357   0.00000   0.00000  -0.00415  -0.00413   1.33943
   A202       0.70992   0.00000   0.00000  -0.00114  -0.00113   0.70879
   A203       2.64015   0.00000   0.00000  -0.00179  -0.00200   2.63815
   A204       2.25318   0.00000   0.00000  -0.00008  -0.00009   2.25309
   A205       2.03619   0.00001   0.00000   0.00838   0.00841   2.04460
   A206       1.71831   0.00000   0.00000   0.00774   0.00780   1.72611
   A207       1.95639   0.00000   0.00000  -0.00593  -0.00589   1.95050
   A208       1.66940   0.00000   0.00000  -0.00497  -0.00495   1.66445
   A209       0.83466   0.00000   0.00000   0.00089   0.00091   0.83558
   A210       2.69259  -0.00001   0.00000  -0.00765  -0.00778   2.68481
   A211       2.38648   0.00000   0.00000  -0.00082  -0.00082   2.38566
   A212       2.28068   0.00001   0.00000   0.00850   0.00854   2.28922
   A213       1.96459   0.00000   0.00000   0.00802   0.00810   1.97269
   A214       2.01343   0.00000   0.00000  -0.00353  -0.00348   2.00996
   A215       1.73247   0.00000   0.00000  -0.00237  -0.00234   1.73013
   A216       1.93471   0.00000   0.00000  -0.00238  -0.00243   1.93228
   A217       1.56498   0.00000   0.00000  -0.00066  -0.00066   1.56433
   A218       1.48130   0.00001   0.00000   0.00666   0.00668   1.48797
   A219       1.18908   0.00000   0.00000   0.00615   0.00621   1.19529
   A220       1.24689  -0.00001   0.00000  -0.00475  -0.00471   1.24218
   A221       0.96091   0.00000   0.00000  -0.00380  -0.00378   0.95713
   A222       0.71742   0.00000   0.00000   0.00087   0.00092   0.71833
   A223       1.00951   0.00001   0.00000  -0.00032  -0.00030   1.00921
   A224       0.69772   0.00000   0.00000   0.00005   0.00010   0.69782
   A225       0.98513   0.00000   0.00000  -0.00074  -0.00070   0.98443
   A226       0.65798   0.00000   0.00000  -0.00234  -0.00231   0.65567
   A227       0.66571   0.00000   0.00000  -0.00025  -0.00021   0.66550
   A228       0.70902  -0.00002   0.00000  -0.00103  -0.00097   0.70805
   A229       0.84579  -0.00001   0.00000   0.00194   0.00200   0.84778
   A230       0.76574  -0.00001   0.00000  -0.00532  -0.00524   0.76050
   A231       0.77687  -0.00001   0.00000  -0.00186  -0.00175   0.77513
   A232       1.58159   0.00007  -0.00001   0.01179   0.01178   1.59336
   A233       1.86997  -0.00003   0.00002  -0.00599  -0.00596   1.86401
   A234       2.18976   0.00003   0.00000   0.00054   0.00056   2.19032
   A235       2.12943  -0.00002   0.00000   0.00008   0.00011   2.12953
   A236       1.96363  -0.00001   0.00000  -0.00062  -0.00065   1.96297
   A237       2.12432   0.00000   0.00000   0.00125   0.00123   2.12554
   A238       2.12643   0.00000   0.00000  -0.00032  -0.00035   2.12608
   A239       2.03182   0.00000   0.00001  -0.00049  -0.00051   2.03131
   A240       1.83338  -0.00001  -0.00001  -0.00201  -0.00202   1.83136
   A241       2.54063   0.00002   0.00001   0.00183   0.00183   2.54246
   A242       1.91373   0.00000   0.00000   0.00010   0.00010   1.91384
   A243       1.91628   0.00000   0.00000   0.00032   0.00034   1.91662
   A244       1.91586   0.00000   0.00000  -0.00139  -0.00138   1.91448
   A245       1.91056  -0.00001  -0.00001   0.00074   0.00071   1.91127
   A246       1.90870  -0.00001   0.00000   0.00027   0.00027   1.90897
   A247       1.89859   0.00002   0.00000  -0.00005  -0.00004   1.89855
   A248       1.27978   0.00001   0.00000   0.00208   0.00209   1.28186
   A249       1.90508  -0.00003   0.00000  -0.00108  -0.00107   1.90401
   A250       1.90972   0.00000   0.00000   0.00004   0.00003   1.90976
   A251       1.92738   0.00002   0.00000   0.00086   0.00086   1.92824
   A252       1.91074   0.00001   0.00000   0.00019   0.00018   1.91092
   A253       1.89798   0.00001   0.00000   0.00030   0.00030   1.89828
   A254       1.91280  -0.00001   0.00000  -0.00031  -0.00031   1.91250
   A255       1.71994   0.00002   0.00000  -0.00314  -0.00315   1.71679
   A256       1.76781  -0.00002   0.00001   0.00027   0.00028   1.76808
   A257       2.19071   0.00002   0.00000  -0.00021  -0.00020   2.19051
   A258       2.13008   0.00000   0.00000   0.00007   0.00006   2.13014
   A259       1.96219  -0.00001   0.00000   0.00014   0.00013   1.96233
   A260       2.12486   0.00000   0.00000   0.00035   0.00033   2.12519
   A261       2.12325   0.00000   0.00000  -0.00034  -0.00035   2.12290
   A262       2.03478   0.00000   0.00000  -0.00011  -0.00010   2.03469
   A263       1.34937   0.00000   0.00000   0.00320   0.00321   1.35258
   A264       1.90036   0.00000   0.00000   0.00047   0.00048   1.90085
   A265       1.93135   0.00000   0.00000  -0.00032  -0.00032   1.93103
   A266       1.91006   0.00000   0.00000  -0.00017  -0.00017   1.90989
   A267       1.89734   0.00000   0.00000  -0.00045  -0.00045   1.89689
   A268       1.91312   0.00000   0.00000   0.00012   0.00010   1.91322
   A269       1.91148   0.00000   0.00000   0.00035   0.00035   1.91183
   A270       2.66597   0.00000   0.00000  -0.00331  -0.00331   2.66265
   A271       1.69746   0.00000   0.00000   0.00351   0.00351   1.70096
   A272       1.92460  -0.00001   0.00000  -0.00039  -0.00038   1.92421
   A273       1.91288   0.00001   0.00000   0.00028   0.00024   1.91312
   A274       1.91350   0.00001   0.00000   0.00000   0.00000   1.91351
   A275       1.89438   0.00001   0.00000   0.00025   0.00027   1.89465
   A276       1.91104   0.00000   0.00000  -0.00026  -0.00026   1.91079
   A277       1.90725  -0.00001   0.00000   0.00012   0.00014   1.90739
   A278       1.79981   0.00004  -0.00001  -0.00497  -0.00497   1.79484
   A279       1.75686  -0.00003   0.00000   0.00367   0.00367   1.76053
   A280       2.18946   0.00003   0.00000   0.00015   0.00017   2.18963
   A281       2.13073  -0.00001   0.00000   0.00000   0.00000   2.13073
   A282       1.96292  -0.00002   0.00000  -0.00015  -0.00017   1.96275
   A283       2.12279   0.00001   0.00000   0.00052   0.00055   2.12334
   A284       2.11585   0.00001   0.00000   0.00043   0.00043   2.11628
   A285       2.04188  -0.00002   0.00000  -0.00093  -0.00095   2.04093
   A286       2.69359   0.00003  -0.00001  -0.00986  -0.00986   2.68373
   A287       1.66572  -0.00002   0.00001   0.00963   0.00964   1.67536
   A288       1.92607   0.00000   0.00000  -0.00060  -0.00057   1.92550
   A289       1.91538   0.00001   0.00000   0.00105   0.00107   1.91645
   A290       1.91253  -0.00001   0.00000   0.00046   0.00043   1.91296
   A291       1.89087   0.00001   0.00000  -0.00072  -0.00074   1.89013
   A292       1.91283  -0.00001   0.00000  -0.00012  -0.00012   1.91271
   A293       1.90593   0.00000   0.00000  -0.00007  -0.00008   1.90586
   A294       1.35616  -0.00001   0.00000   0.01281   0.01282   1.36898
   A295       1.14960   0.00001  -0.00001  -0.00882  -0.00882   1.14077
   A296       1.93207   0.00000   0.00000  -0.00136  -0.00132   1.93075
   A297       1.90704  -0.00002   0.00000   0.00023   0.00019   1.90723
   A298       1.90225   0.00002   0.00000   0.00131   0.00124   1.90349
   A299       1.90976   0.00001   0.00000   0.00019   0.00020   1.90995
   A300       1.89772   0.00000   0.00000  -0.00128  -0.00127   1.89645
   A301       1.91494   0.00000   0.00000   0.00093   0.00098   1.91592
   A302       1.71352  -0.00002   0.00002  -0.00389  -0.00382   1.70970
   A303       1.77437   0.00000   0.00000  -0.00452  -0.00455   1.76982
   A304       2.19158  -0.00004   0.00000  -0.00068  -0.00068   2.19090
   A305       2.13012   0.00001   0.00000  -0.00001  -0.00005   2.13007
   A306       1.96121   0.00003   0.00000   0.00066   0.00071   1.96191
   A307       2.12318   0.00004   0.00000  -0.00081  -0.00082   2.12236
   A308       2.12260  -0.00001   0.00000   0.00131   0.00129   2.12389
   A309       2.03677  -0.00002   0.00000  -0.00084  -0.00085   2.03592
   A310       1.32107   0.00002  -0.00001  -0.02103  -0.02080   1.30026
   A311       3.03533   0.00002   0.00001   0.02385   0.02366   3.05899
   A312       1.90878   0.00001   0.00000   0.00166   0.00162   1.91040
   A313       1.93149  -0.00001   0.00001   0.00300   0.00161   1.93310
   A314       1.90150   0.00003  -0.00001  -0.00098  -0.00103   1.90046
   A315       1.91217  -0.00003   0.00000  -0.00330  -0.00269   1.90948
   A316       1.91117   0.00000   0.00001  -0.00061  -0.00042   1.91075
   A317       1.89859   0.00001  -0.00001   0.00021   0.00090   1.89949
   A318       1.73180   0.00000   0.00000   0.01594   0.01593   1.74773
   A319       1.91378  -0.00001   0.00000   0.00039   0.00037   1.91415
   A320       1.91446   0.00004   0.00001   0.00217   0.00217   1.91662
   A321       1.92421  -0.00002   0.00000  -0.00195  -0.00193   1.92228
   A322       1.90566  -0.00002   0.00000   0.00132   0.00133   1.90699
   A323       1.91086   0.00001   0.00000  -0.00154  -0.00154   1.90931
   A324       1.89467   0.00000   0.00000  -0.00037  -0.00039   1.89429
   A325       2.93438  -0.00001   0.00000   0.00700   0.00701   2.94139
   A326       3.35381   0.00001   0.00000   0.00246   0.00248   3.35630
   A327       3.07242   0.00001   0.00001   0.00317   0.00321   3.07563
   A328       3.19258   0.00001   0.00000   0.00177   0.00178   3.19436
   A329       3.26084   0.00000   0.00000   0.00356   0.00356   3.26440
   A330       3.26592   0.00000   0.00001   0.01300   0.01302   3.27894
   A331       3.64266   0.00000   0.00000   0.01439   0.01438   3.65704
   A332       3.21188   0.00000   0.00000   0.00312   0.00310   3.21498
   A333       2.99830   0.00000   0.00000  -0.01198  -0.01200   2.98630
   A334       2.93316   0.00000   0.00000  -0.01319  -0.01320   2.91995
   A335       3.22778   0.00002   0.00001  -0.00178  -0.00177   3.22601
   A336       3.07900   0.00000   0.00000  -0.00249  -0.00248   3.07652
   A337       3.10152   0.00001   0.00000  -0.00450  -0.00448   3.09704
   A338       3.03871   0.00001   0.00000   0.00063   0.00067   3.03938
    D1        2.75877   0.00000   0.00000  -0.00300  -0.00301   2.75576
    D2       -1.36162   0.00000   0.00000   0.00024   0.00023  -1.36139
    D3        2.78304   0.00000   0.00000  -0.00492  -0.00492   2.77812
    D4       -1.33735   0.00000   0.00000  -0.00168  -0.00168  -1.33904
    D5        1.66451   0.00000   0.00000  -0.00426  -0.00426   1.66025
    D6       -2.45588   0.00000   0.00000  -0.00102  -0.00102  -2.45691
    D7        1.84662   0.00001   0.00000  -0.00474  -0.00474   1.84188
    D8       -2.27377   0.00001   0.00000  -0.00150  -0.00151  -2.27528
    D9        0.32574   0.00000   0.00000  -0.00193  -0.00192   0.32382
   D10        2.48853   0.00000   0.00000   0.00131   0.00132   2.48985
   D11        0.04031   0.00000   0.00000  -0.00680  -0.00678   0.03353
   D12        2.20310   0.00000   0.00000  -0.00356  -0.00355   2.19956
   D13       -0.42885   0.00000   0.00000  -0.00804  -0.00802  -0.43686
   D14        1.73395   0.00000   0.00000  -0.00480  -0.00478   1.72917
   D15       -0.54925   0.00000   0.00000  -0.01063  -0.01062  -0.55987
   D16        1.61354   0.00000   0.00000  -0.00739  -0.00738   1.60616
   D17        0.21953   0.00000   0.00000  -0.01012  -0.01011   0.20942
   D18        2.38233   0.00000   0.00000  -0.00688  -0.00687   2.37545
   D19        0.15439   0.00000   0.00000  -0.01133  -0.01132   0.14307
   D20        2.31719   0.00000   0.00000  -0.00809  -0.00808   2.30911
   D21        2.40787   0.00001   0.00000  -0.00690  -0.00690   2.40098
   D22       -1.71252   0.00001   0.00000  -0.00366  -0.00366  -1.71618
   D23        2.16324   0.00000   0.00000  -0.00745  -0.00745   2.15579
   D24       -1.95715   0.00000   0.00000  -0.00422  -0.00422  -1.96137
   D25        1.72182   0.00000   0.00000  -0.00608  -0.00610   1.71573
   D26       -2.39857   0.00000   0.00000  -0.00284  -0.00286  -2.40143
   D27        1.41487   0.00000   0.00000  -0.00532  -0.00535   1.40952
   D28       -2.70551   0.00000   0.00000  -0.00208  -0.00212  -2.70763
   D29        2.37256  -0.00001  -0.00001  -0.01032  -0.01030   2.36226
   D30       -1.74782  -0.00001  -0.00001  -0.00708  -0.00707  -1.75489
   D31       -1.77641   0.00001   0.00000   0.00395   0.00394  -1.77247
   D32        0.38638   0.00001  -0.00001   0.00719   0.00717   0.39356
   D33       -2.11485  -0.00001   0.00000  -0.00083  -0.00084  -2.11569
   D34        0.04795   0.00000   0.00000   0.00241   0.00239   0.05034
   D35       -2.49388   0.00001   0.00000   0.00320   0.00323  -2.49065
   D36       -0.33109   0.00001   0.00000   0.00644   0.00647  -0.32462
   D37       -2.77877   0.00000   0.00000   0.00186   0.00189  -2.77688
   D38       -0.61597   0.00000   0.00000   0.00510   0.00512  -0.61085
   D39       -2.12483  -0.00002   0.00000  -0.01086  -0.01089  -2.13573
   D40        0.03797  -0.00002   0.00000  -0.00762  -0.00766   0.03031
   D41       -2.37283  -0.00002  -0.00001  -0.01448  -0.01455  -2.38738
   D42       -0.21003  -0.00002  -0.00001  -0.01124  -0.01131  -0.22134
   D43        1.25960   0.00001   0.00001   0.00346   0.00347   1.26307
   D44       -1.92265   0.00001   0.00000   0.00710   0.00709  -1.91556
   D45        2.45655   0.00000   0.00001   0.00090   0.00091   2.45747
   D46       -0.72570  -0.00001  -0.00001   0.00453   0.00454  -0.72116
   D47        2.94355   0.00000   0.00000   0.00043   0.00044   2.94398
   D48       -0.23870   0.00000  -0.00001   0.00406   0.00406  -0.23464
   D49        2.86173   0.00000   0.00000   0.00591   0.00590   2.86763
   D50       -0.32052   0.00000  -0.00001   0.00954   0.00952  -0.31099
   D51        2.05306   0.00000   0.00000   0.00088   0.00092   2.05399
   D52       -1.12918  -0.00001  -0.00001   0.00451   0.00454  -1.12464
   D53        1.16886   0.00001   0.00001  -0.00731  -0.00735   1.16151
   D54       -2.01338   0.00000  -0.00001  -0.00367  -0.00373  -2.01711
   D55        1.02566   0.00001   0.00000  -0.00867  -0.00871   1.01695
   D56       -2.15659   0.00000  -0.00001  -0.00504  -0.00509  -2.16168
   D57        2.02550   0.00000   0.00000  -0.00332  -0.00330   2.02220
   D58       -1.15675   0.00000  -0.00001   0.00031   0.00032  -1.15643
   D59        1.83147   0.00001   0.00001  -0.00383  -0.00380   1.82767
   D60       -1.35077   0.00000  -0.00001  -0.00019  -0.00018  -1.35096
   D61       -2.27306   0.00002   0.00000  -0.00166  -0.00165  -2.27471
   D62        0.82788   0.00001  -0.00001   0.00197   0.00197   0.82985
   D63       -2.41011   0.00001   0.00000  -0.00164  -0.00163  -2.41174
   D64        0.69083   0.00000  -0.00001   0.00200   0.00199   0.69282
   D65       -2.81248   0.00000   0.00000  -0.00107  -0.00108  -2.81356
   D66        0.28846  -0.00001  -0.00001   0.00256   0.00254   0.29100
   D67       -2.99123   0.00000   0.00000  -0.00243  -0.00245  -2.99368
   D68        0.10971  -0.00001  -0.00001   0.00120   0.00117   0.11088
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   D295      -2.19589  -0.00001   0.00000  -0.00900  -0.00901  -2.20490
   D296      -2.30129   0.00001   0.00000  -0.00541  -0.00540  -2.30670
   D297      -0.23434   0.00001   0.00000  -0.00801  -0.00801  -0.24236
   D298      -2.27611   0.00001   0.00000  -0.00320  -0.00320  -2.27931
   D299      -0.20916   0.00001   0.00000  -0.00580  -0.00581  -0.21497
   D300      -1.88782   0.00000   0.00000  -0.00261  -0.00262  -1.89043
   D301       0.17913   0.00000   0.00000  -0.00521  -0.00523   0.17391
   D302      -1.82597   0.00000   0.00000  -0.00041  -0.00042  -1.82639
   D303       0.24098   0.00000   0.00000  -0.00301  -0.00303   0.23796
   D304      -2.62185   0.00000   0.00000  -0.00177  -0.00177  -2.62362
   D305      -0.55490   0.00000   0.00000  -0.00437  -0.00438  -0.55928
   D306      -2.74669   0.00000   0.00000  -0.00112  -0.00111  -2.74780
   D307      -0.67974   0.00000   0.00000  -0.00372  -0.00372  -0.68346
   D308       1.52271  -0.00002   0.00000  -0.00692  -0.00692   1.51578
   D309      -2.69353  -0.00002   0.00000  -0.00952  -0.00954  -2.70306
   D310       2.62330   0.00000   0.00000  -0.00632  -0.00630   2.61701
   D311      -1.59293   0.00000   0.00000  -0.00892  -0.00891  -1.60184
   D312       3.00588   0.00000   0.00000  -0.00893  -0.00891   2.99696
   D313      -1.21036   0.00000   0.00000  -0.01153  -0.01152  -1.22188
   D314      -0.43431  -0.00001   0.00000  -0.02232  -0.02232  -0.45664
   D315       1.63264  -0.00001   0.00000  -0.02492  -0.02493   1.60770
   D316      -0.29139   0.00000   0.00000  -0.01512  -0.01513  -0.30652
   D317       1.77556   0.00000   0.00000  -0.01773  -0.01774   1.75782
   D318       0.13229  -0.00001   0.00000  -0.01368  -0.01371   0.11857
   D319       2.19924  -0.00001   0.00000  -0.01628  -0.01633   2.18291
   D320       0.26290   0.00000  -0.00001  -0.01364  -0.01362   0.24929
   D321       2.32985   0.00000  -0.00001  -0.01624  -0.01623   2.31363
   D322      -0.55381   0.00001   0.00000  -0.00848  -0.00848  -0.56229
   D323       1.51314   0.00001   0.00000  -0.01108  -0.01109   1.50206
   D324      -0.59114   0.00000   0.00000  -0.00752  -0.00752  -0.59867
   D325       1.47581   0.00000  -0.00001  -0.01012  -0.01013   1.46567
   D326       0.05009   0.00001  -0.00001   0.01496   0.01485   0.06495
   D327       2.23598   0.00001  -0.00001   0.01211   0.01202   2.24800
   D328       0.35904   0.00000  -0.00001   0.01392   0.01385   0.37289
   D329       2.54493   0.00000  -0.00001   0.01108   0.01102   2.55594
   D330       0.72126   0.00000  -0.00001   0.01553   0.01551   0.73677
   D331       2.90714   0.00000  -0.00001   0.01269   0.01268   2.91982
   D332       0.99953  -0.00001  -0.00001   0.01647   0.01649   1.01602
   D333      -3.09777  -0.00001  -0.00001   0.01362   0.01366  -3.08411
   D334       0.30469   0.00000  -0.00001   0.01099   0.01088   0.31557
   D335       2.49057   0.00000   0.00000   0.00814   0.00805   2.49862
   D336       0.68813   0.00000  -0.00001   0.01601   0.01604   0.70416
   D337       2.87401   0.00000  -0.00001   0.01317   0.01321   2.88722
   D338      -2.36303   0.00000  -0.00001   0.01193   0.01193  -2.35110
   D339      -0.17714   0.00000  -0.00001   0.00909   0.00909  -0.16805
   D340      -1.98254   0.00000  -0.00001   0.00975   0.00980  -1.97274
   D341       0.20334   0.00000  -0.00001   0.00691   0.00697   0.21032
   D342      -1.93953   0.00000  -0.00001   0.01032   0.01036  -1.92917
   D343       0.24636   0.00000  -0.00001   0.00748   0.00752   0.25388
   D344      -1.64555   0.00001  -0.00001   0.01171   0.01179  -1.63377
   D345       0.54033   0.00000  -0.00001   0.00887   0.00896   0.54929
   D346      -1.60583   0.00000  -0.00001   0.00654   0.00665  -1.59917
   D347       0.58006   0.00000  -0.00001   0.00369   0.00382   0.58388
   D348      -1.30423   0.00000  -0.00001   0.00553   0.00562  -1.29861
   D349       0.88165   0.00000  -0.00001   0.00269   0.00279   0.88444
   D350       1.80253  -0.00001  -0.00001   0.02090   0.02098   1.82351
   D351      -2.29477  -0.00001  -0.00001   0.01805   0.01815  -2.27662
   D352       2.22807   0.00000  -0.00001   0.02576   0.02580   2.25387
   D353      -1.86923   0.00000  -0.00001   0.02292   0.02297  -1.84626
   D354       2.44869   0.00002  -0.00001   0.04127   0.04121   2.48990
   D355      -1.64861   0.00001  -0.00001   0.03843   0.03837  -1.61023
   D356       3.08885   0.00003  -0.00002   0.03548   0.03518   3.12403
   D357      -1.00845   0.00002  -0.00001   0.03264   0.03235  -0.97610
   D358       2.56267   0.00001  -0.00001   0.01899   0.01897   2.58163
   D359      -1.53463   0.00001  -0.00001   0.01615   0.01614  -1.51850
   D360       1.61307   0.00000  -0.00001   0.00057   0.00054   1.61361
   D361      -2.48423   0.00000   0.00000  -0.00227  -0.00229  -2.48652
   D362       1.78184   0.00000   0.00000   0.00607   0.00595   1.78779
   D363      -2.31546   0.00000   0.00000   0.00323   0.00312  -2.31234
   D364       2.73949  -0.00002  -0.00001  -0.00189  -0.00190   2.73760
   D365      -1.35781  -0.00003   0.00000  -0.00474  -0.00473  -1.36253
   D366       2.71691  -0.00001  -0.00001   0.00410   0.00410   2.72102
   D367      -1.38039  -0.00001   0.00000   0.00126   0.00127  -1.37912
   D368       0.04031   0.00002   0.00000   0.00935   0.00932   0.04963
   D369      -2.57817   0.00002   0.00000   0.07973   0.07973  -2.49845
   D370       0.44012   0.00001   0.00000   0.00862   0.00858   0.44869
   D371      -2.17837   0.00001   0.00000   0.07900   0.07898  -2.09939
   D372       0.64901   0.00001   0.00000   0.01088   0.01083   0.65984
   D373      -1.96948   0.00001   0.00000   0.08125   0.08124  -1.88824
   D374       0.92023   0.00000  -0.00001   0.01180   0.01173   0.93197
   D375      -1.69826   0.00000   0.00000   0.08218   0.08214  -1.61612
   D376       0.68572   0.00000   0.00000   0.00639   0.00635   0.69207
   D377      -1.93276   0.00000   0.00000   0.07677   0.07675  -1.85601
   D378       1.02438   0.00000   0.00000   0.00717   0.00713   1.03151
   D379      -1.59410   0.00000   0.00000   0.07754   0.07754  -1.51657
   D380      -2.78258   0.00002   0.00000   0.01292   0.01287  -2.76971
   D381       0.88212   0.00002   0.00000   0.08329   0.08327   0.96539
   D382      -2.22383   0.00001  -0.00001   0.01076   0.01063  -2.21319
   D383       1.44087   0.00001   0.00000   0.08114   0.08104   1.52191
   D384      -1.98034   0.00001   0.00000   0.00385   0.00380  -1.97654
   D385       1.68436   0.00001   0.00000   0.07423   0.07420   1.75856
   D386      -1.64739   0.00001  -0.00001   0.00108   0.00105  -1.64634
   D387       2.01731   0.00000   0.00000   0.07146   0.07145   2.08876
   D388      -1.69739   0.00000  -0.00001   0.00544   0.00533  -1.69206
   D389       1.96731  -0.00001  -0.00001   0.07582   0.07574   2.04304
   D390      -1.10626  -0.00001  -0.00001  -0.00860  -0.00844  -1.11470
   D391       2.55844  -0.00001   0.00000   0.06177   0.06196   2.62040
   D392       1.77948  -0.00001   0.00000   0.00522   0.00519   1.78467
   D393      -0.83901  -0.00001   0.00000   0.07560   0.07560  -0.76341
   D394       2.07904   0.00000   0.00000   0.00580   0.00579   2.08483
   D395      -0.53945   0.00000   0.00000   0.07618   0.07620  -0.46325
   D396       2.02308   0.00000   0.00000   0.00773   0.00775   2.03083
   D397      -0.59541   0.00000   0.00000   0.07810   0.07816  -0.51725
   D398       2.21888   0.00002   0.00000   0.00684   0.00690   2.22577
   D399      -0.39961   0.00001   0.00000   0.07722   0.07730  -0.32231
   D400       2.48060   0.00000   0.00000   0.00439   0.00439   2.48498
   D401      -0.13789   0.00000   0.00000   0.07477   0.07479  -0.06310
   D402      -1.52890   0.00000   0.00000  -0.01154  -0.01154  -1.54044
   D403       2.13579   0.00000   0.00000   0.05884   0.05886   2.19466
   D404      -2.62829  -0.00002  -0.00001  -0.01171  -0.01172  -2.64000
   D405       1.03641  -0.00002   0.00000   0.05867   0.05869   1.09510
   D406      -2.99164  -0.00001   0.00000  -0.00755  -0.00755  -2.99918
   D407       0.67306  -0.00001   0.00000   0.06282   0.06286   0.73592
   D408       1.89975   0.00002   0.00000   0.01754   0.01759   1.91734
   D409       2.39183   0.00002   0.00000   0.02026   0.02028   2.41211
   D410       2.62372   0.00001   0.00000   0.01730   0.01731   2.64103
   D411       2.85688   0.00000   0.00000   0.01678   0.01678   2.87366
   D412       2.80989   0.00002   0.00000   0.02871   0.02869   2.83859
   D413      -2.97526   0.00000   0.00000   0.02360   0.02352  -2.95174
   D414      -0.76639   0.00001   0.00000   0.01152   0.01154  -0.75485
   D415      -0.38507   0.00001   0.00000   0.01168   0.01172  -0.37335
   D416      -0.07657   0.00001   0.00000   0.01192   0.01195  -0.06463
   D417       0.23252   0.00001   0.00000   0.01186   0.01188   0.24440
   D418      -0.24782   0.00000   0.00000   0.01101   0.01106  -0.23676
   D419       0.06607   0.00000   0.00000   0.00840   0.00845   0.07452
   D420      -2.57638  -0.00001   0.00000   0.01306   0.01305  -2.56333
   D421      -2.19316   0.00000   0.00000   0.01302   0.01302  -2.18015
   D422      -1.95136   0.00000   0.00000   0.01347   0.01348  -1.93788
   D423      -1.63688   0.00000   0.00000   0.01138   0.01141  -1.62547
   D424      -1.97634   0.00001   0.00000   0.01204   0.01205  -1.96430
   D425       1.33953  -0.00002   0.00000  -0.00809  -0.00812   1.33141
   D426       2.48691  -0.00002   0.00000  -0.00583  -0.00585   2.48105
   D427       2.95557   0.00000   0.00000  -0.00216  -0.00229   2.95328
   D428      -3.07029  -0.00007   0.00001  -0.01423  -0.01422  -3.08451
   D429       0.03224  -0.00007   0.00001  -0.00019  -0.00019   0.03206
   D430       0.04237  -0.00002   0.00003  -0.01391  -0.01388   0.02848
   D431      -3.13829  -0.00001   0.00002   0.00013   0.00016  -3.13813
   D432      -0.08489   0.00001   0.00001   0.01233   0.01235  -0.07254
   D433       2.01483  -0.00001   0.00001   0.01351   0.01351   2.02833
   D434      -2.18205   0.00002   0.00001   0.01279   0.01281  -2.16925
   D435       3.09376   0.00000   0.00002  -0.00099  -0.00097   3.09279
   D436      -1.08971  -0.00001   0.00001   0.00019   0.00019  -1.08953
   D437       0.99659   0.00002   0.00002  -0.00053  -0.00051   0.99608
   D438      -2.36939   0.00000   0.00001  -0.01084  -0.01082  -2.38021
   D439      -0.27879   0.00000   0.00000  -0.01124  -0.01123  -0.29002
   D440       1.82812   0.00000   0.00000  -0.01105  -0.01105   1.81708
   D441       0.73510   0.00000   0.00000   0.00253   0.00254   0.73763
   D442       2.82570   0.00000   0.00000   0.00213   0.00213   2.82783
   D443      -1.35057   0.00001   0.00000   0.00232   0.00231  -1.34826
   D444      -0.00097   0.00001  -0.00001   0.00136   0.00135   0.00038
   D445       3.11352   0.00001   0.00000  -0.00357  -0.00357   3.10994
   D446      -3.12132   0.00001  -0.00001   0.00157   0.00156  -3.11977
   D447      -0.00684   0.00001   0.00000  -0.00336  -0.00336  -0.01020
   D448       2.42548   0.00000   0.00000  -0.00861  -0.00862   2.41687
   D449      -1.77335   0.00000   0.00000  -0.00906  -0.00906  -1.78241
   D450       0.33464   0.00000   0.00000  -0.00893  -0.00893   0.32571
   D451      -0.69031   0.00000   0.00000  -0.00392  -0.00393  -0.69424
   D452       1.39404   0.00000   0.00000  -0.00437  -0.00437   1.38967
   D453      -2.78115   0.00000  -0.00001  -0.00424  -0.00425  -2.78540
   D454       2.06071  -0.00001   0.00000   0.00750   0.00750   2.06822
   D455      -2.13807   0.00001   0.00000   0.00775   0.00774  -2.13032
   D456      -0.04468   0.00000   0.00000   0.00807   0.00806  -0.03662
   D457      -1.10666   0.00000   0.00000   0.00283   0.00283  -1.10382
   D458       0.97775   0.00001   0.00000   0.00307   0.00307   0.98083
   D459       3.07114   0.00000   0.00000   0.00339   0.00339   3.07453
   D460      -3.09115   0.00002  -0.00001  -0.00567  -0.00569  -3.09684
   D461      -0.03037   0.00002  -0.00001  -0.00530  -0.00531  -0.03568
   D462       0.06334   0.00002   0.00000  -0.00576  -0.00577   0.05757
   D463       3.12411   0.00002   0.00000  -0.00538  -0.00538   3.11873
   D464       1.94480  -0.00003   0.00001   0.01287   0.01289   1.95769
   D465      -2.25583  -0.00001   0.00000   0.01227   0.01229  -2.24354
   D466      -0.16312  -0.00001   0.00001   0.01311   0.01313  -0.14999
   D467      -1.11924  -0.00003   0.00000   0.01246   0.01246  -1.10679
   D468       0.96331  -0.00002   0.00000   0.01185   0.01186   0.97517
   D469       3.05602  -0.00002   0.00000   0.01269   0.01269   3.06872
   D470      -1.65202   0.00001  -0.00001  -0.01639  -0.01640  -1.66842
   D471       0.45234   0.00001  -0.00001  -0.01686  -0.01686   0.43547
   D472       2.54473   0.00001   0.00000  -0.01481  -0.01481   2.52992
   D473       1.41235   0.00002   0.00000  -0.01597  -0.01596   1.39639
   D474      -2.76647   0.00001   0.00000  -0.01644  -0.01643  -2.78290
   D475      -0.67408   0.00001   0.00000  -0.01439  -0.01437  -0.68846
   D476       0.00047   0.00001  -0.00001  -0.01033  -0.01028  -0.00981
   D477      -3.10156   0.00004  -0.00001   0.00015   0.00015  -3.10142
   D478       3.11701  -0.00001   0.00001  -0.01151  -0.01146   3.10555
   D479       0.01499   0.00001   0.00001  -0.00103  -0.00104   0.01394
   D480      -0.35927   0.00003  -0.00002  -0.01226  -0.01215  -0.37142
   D481       1.74884  -0.00001  -0.00001  -0.01338  -0.01342   1.73543
   D482      -2.44767   0.00000  -0.00002  -0.01191  -0.01198  -2.45965
   D483       2.74461   0.00000  -0.00001  -0.02220  -0.02202   2.72259
   D484      -1.43046  -0.00004  -0.00001  -0.02332  -0.02329  -1.45376
   D485       0.65621  -0.00002  -0.00002  -0.02185  -0.02186   0.63436
   D486       0.00478  -0.00003  -0.00001  -0.02579  -0.02578  -0.02100
   D487       2.09735  -0.00003  -0.00001  -0.02258  -0.02257   2.07479
   D488      -2.10032  -0.00002  -0.00001  -0.02289  -0.02289  -2.12320
   D489      -3.09911   0.00000  -0.00001  -0.01580  -0.01584  -3.11496
   D490      -1.00654  -0.00001  -0.00001  -0.01259  -0.01263  -1.01917
   D491       1.07898   0.00001  -0.00001  -0.01290  -0.01295   1.06602
         Item               Value     Threshold  Converged?
 Maximum Force            0.000105     0.000450     YES
 RMS     Force            0.000013     0.000300     YES
 Maximum Displacement     0.099045     0.001800     NO 
 RMS     Displacement     0.010411     0.001200     NO 
 Predicted change in Energy=-1.864776D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:50:55 2016, MaxMem=  2952790016 cpu:         6.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.832997   -0.600583    1.675106
      2          6           0       -2.079561    1.109541   -1.362116
      3          8           0       -2.625552    0.130963   -1.901065
      4          7           0       -0.789922    1.156308   -0.930633
      5          1           0       -2.629465    2.049922   -1.156621
      6          6           0       -0.249304    2.329549   -0.241986
      7          1           0       -1.006323    3.125527   -0.218186
      8          1           0        0.034137    2.060231    0.788556
      9          1           0        0.646071    2.692144   -0.773038
     10          6           0        0.123506    0.023993   -1.102539
     11          1           0        0.693197   -0.123734   -0.171811
     12          1           0       -0.455699   -0.881751   -1.325126
     13          1           0        0.831705    0.220949   -1.924389
     14          6           0       -1.987727   -4.013957    2.608064
     15          8           0       -2.101032   -3.860729    3.836397
     16          7           0       -2.937670   -3.708972    1.682523
     17          1           0       -1.059639   -4.407248    2.147687
     18          6           0       -4.235788   -3.147859    2.065652
     19          1           0       -4.505439   -2.352441    1.352600
     20          1           0       -5.017870   -3.924929    2.040426
     21          1           0       -4.167799   -2.728160    3.077568
     22          6           0       -2.699005   -3.888235    0.250151
     23          1           0       -3.414094   -4.615745   -0.167681
     24          1           0       -2.833009   -2.925824   -0.270638
     25          1           0       -1.673429   -4.248426    0.088912
     26          6           0        1.537635    0.380562    2.618807
     27          8           0        1.346617    1.397050    3.307861
     28          7           0        1.173309   -0.885324    2.961232
     29          1           0        2.027594    0.426053    1.626308
     30          6           0        1.488993   -2.032136    2.109517
     31          1           0        2.228294   -2.684511    2.603932
     32          1           0        0.576606   -2.621784    1.923923
     33          1           0        1.892273   -1.679127    1.150545
     34          6           0        0.534698   -1.170523    4.248401
     35          1           0        1.284072   -1.494741    4.990706
     36          1           0        0.029722   -0.266139    4.610511
     37          1           0       -0.199609   -1.978120    4.113917
     38          6           0       -4.619745    1.169569    2.914187
     39          8           0       -4.894815    1.802564    1.880881
     40          7           0       -3.522351    1.367808    3.694722
     41          1           0       -5.258296    0.341761    3.284785
     42          6           0       -2.517636    2.382877    3.364026
     43          1           0       -2.583712    2.628558    2.295770
     44          1           0       -2.674487    3.296892    3.960534
     45          1           0       -1.518204    1.980579    3.586787
     46          6           0       -3.255051    0.538288    4.870038
     47          1           0       -4.061981   -0.196473    4.995365
     48          1           0       -2.296309    0.007761    4.743052
     49          1           0       -3.190141    1.168151    5.772272
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.494287   0.000000
     3  O    3.735278   1.243458   0.000000
     4  N    3.311276   1.360711   2.315731   0.000000
     5  H    3.959573   1.108575   2.058305   2.057556   0.000000
     6  C    3.843046   2.468391   3.637703   1.463898   2.565134
     7  H    4.260498   2.554332   3.797551   2.105286   2.161521
     8  H    3.369287   3.161791   4.246185   2.109919   3.298272
     9  H    4.793876   3.206355   4.305301   2.108483   3.359869
    10  C    3.454462   2.469676   2.864683   1.464937   3.418503
    11  H    3.165461   3.259752   3.750905   2.100942   4.090808
    12  H    3.313216   2.569735   2.462835   2.102621   3.653541
    13  H    4.553232   3.095354   3.458507   2.119463   3.989274
    14  C    3.541959   6.482361   6.157875   6.378774   7.166263
    15  O    3.920659   7.192258   7.009079   7.043738   7.755338
    16  N    3.298854   5.764048   5.261618   5.925569   6.428110
    17  H    3.913069   6.617697   6.280114   6.364115   7.421445
    18  C    3.523428   5.875743   5.392437   6.275155   6.322993
    19  H    3.211691   5.023931   4.504176   5.597280   5.403357
    20  H    4.618241   6.749581   6.140748   7.247186   7.185015
    21  H    3.456122   6.228923   5.944736   6.524172   6.566955
    22  C    3.686342   5.287804   4.559284   5.521436   6.102913
    23  H    4.692254   5.998879   5.114455   6.386311   6.784155
    24  H    3.192599   4.247727   3.470631   4.612332   5.058107
    25  H    3.980984   5.565810   4.903631   5.570567   6.491113
    26  C    3.635159   5.428008   6.150095   4.314838   5.865606
    27  O    4.094676   5.799142   6.671882   4.752639   6.013906
    28  N    3.282236   5.766454   6.253488   4.813434   6.327201
    29  H    3.995063   5.125091   5.846470   3.874224   5.663024
    30  C    3.643305   5.887015   6.139483   4.960054   6.655265
    31  H    4.658278   6.977247   7.195951   6.029483   7.755929
    32  H    3.154893   5.637026   5.697540   4.928475   6.449301
    33  H    3.913573   5.464942   5.744518   4.423252   6.298804
    34  C    3.542973   6.596283   7.035409   5.830193   7.042546
    35  H    4.637762   7.645565   8.088546   6.811150   8.103705
    36  H    3.492588   6.481808   7.043350   5.779225   6.759824
    37  H    3.242431   6.561616   6.820076   5.968299   7.064552
    38  C    3.526291   4.974225   5.314336   5.426819   4.616028
    39  O    3.897716   4.350053   4.716664   5.017211   3.797290
    40  N    3.287450   5.264975   5.800592   5.376319   4.979765
    41  H    3.900225   5.682212   5.819692   6.196742   5.436420
    42  C    3.496029   4.914236   5.727473   4.788900   4.534271
    43  H    3.372855   3.992707   4.883969   3.974277   3.500845
    44  H    4.595825   5.785244   6.662120   5.661908   5.267090
    45  H    3.227386   5.056231   5.896085   4.649398   4.872333
    46  C    3.677888   6.367720   6.812490   6.332977   6.244760
    47  H    4.019426   6.786252   7.052041   6.903176   6.704127
    48  H    3.161808   6.207574   6.653410   5.981560   6.252004
    49  H    4.664443   7.220548   7.763673   7.119700   7.007242
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098738   0.000000
     8  H    1.102220   1.797483   0.000000
     9  H    1.102355   1.796131   1.792304   0.000000
    10  C    2.489002   3.417324   2.780376   2.738736   0.000000
    11  H    2.629036   3.667181   2.475150   2.879733   1.101193
    12  H    3.395326   4.193659   3.655523   3.780400   1.097905
    13  H    2.906072   3.837454   3.373299   2.732558   1.102622
    14  C    7.168331   7.741000   6.655397   7.958677   5.876301
    15  O    7.640789   8.151429   6.993286   8.469570   6.665787
    16  N    6.884388   7.352086   6.550918   7.736102   5.573365
    17  H    7.193860   7.895752   6.698646   7.863933   5.621360
    18  C    7.156762   7.416247   6.854738   8.123813   6.253120
    19  H    6.525214   6.687249   6.355908   7.516929   5.753457
    20  H    8.189452   8.420378   7.931714   9.153221   7.204579
    21  H    7.207945   7.424458   6.769382   8.208545   6.592642
    22  C    6.701050   7.230308   6.568423   7.452371   5.010175
    23  H    7.632727   8.107231   7.574519   8.381923   5.908953
    24  H    5.856219   6.321264   5.848347   6.627063   4.258457
    25  H    6.738501   7.410433   6.573009   7.368484   4.785613
    26  C    3.895618   4.696284   2.903723   4.200346   3.996913
    27  O    4.002240   4.577878   2.917072   4.338406   4.778380
    28  N    4.756032   5.562950   3.833343   5.198175   4.294552
    29  H    3.506862   4.460266   2.710394   3.577798   3.351687
    30  C    5.251241   6.184358   4.539714   5.598077   4.050867
    31  H    6.275232   7.223824   5.533758   6.543376   5.050153
    32  H    5.467082   6.334499   4.848153   5.959551   4.045356
    33  H    4.753417   5.775810   4.191240   4.935706   3.332497
    34  C    5.747064   6.386016   4.760132   6.336202   5.498046
    35  H    6.660143   7.329758   5.644309   7.152468   6.386008
    36  H    5.510188   5.991085   4.474299   6.173647   5.721180
    37  H    6.126367   6.742782   5.236500   6.812406   5.596809
    38  C    5.514322   5.166658   5.193285   6.606261   6.320195
    39  O    5.134691   4.612665   5.055110   6.207741   6.103085
    40  N    5.209170   4.973009   4.644767   6.252239   6.173477
    41  H    6.440452   6.172474   6.098701   7.540012   6.950783
    42  C    4.260457   3.958262   3.639875   5.217277   5.700014
    43  H    3.461079   3.009170   3.073731   4.455684   5.065697
    44  H    4.947569   4.502648   4.350566   5.813650   6.646453
    45  H    4.048628   4.006339   3.200969   4.919196   5.339777
    46  C    6.194831   6.135195   5.458349   7.190422   6.881193
    47  H    6.953210   6.895929   6.290321   7.986509   7.399414
    48  H    5.867839   5.999868   5.028086   6.803731   6.326665
    49  H    6.794753   6.669780   6.002433   7.738227   7.717019
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795742   0.000000
    13  H    1.791513   1.797908   0.000000
    14  C    5.481688   5.256216   6.813718   0.000000
    15  O    6.151307   6.182455   7.645109   1.243028   0.000000
    16  N    5.429152   4.816567   6.531637   1.360895   2.315634
    17  H    5.176968   4.985409   6.448193   1.108139   2.057893
    18  C    6.200521   5.560728   7.276591   2.469437   2.863722
    19  H    5.858052   5.072823   6.770975   3.267369   3.771650
    20  H    7.208285   6.434382   8.193021   3.084138   3.426014
    21  H    6.400842   6.047530   7.662366   2.574185   2.475896
    22  C    5.084934   4.068521   5.837801   2.466065   3.635861
    23  H    6.086708   4.902498   6.671314   3.178275   4.280983
    24  H    4.505065   3.307836   5.105605   3.191467   4.275227
    25  H    4.762561   3.849269   5.504943   2.549488   3.791675
    26  C    2.958874   4.595805   4.600483   5.633835   5.719351
    27  O    3.853292   5.468624   5.387466   6.394261   6.309507
    28  N    3.259829   4.585471   5.020938   4.461527   4.510018
    29  H    2.305670   4.072844   3.752288   6.066328   6.348744
    30  C    3.078920   4.111203   4.666992   4.032834   4.383395
    31  H    4.076622   5.088345   5.558583   4.420665   4.652475
    32  H    3.262813   3.827491   4.791211   2.996999   3.516005
    33  H    2.367626   3.503958   3.767002   4.757120   5.283907
    34  C    4.545236   5.668199   6.334647   4.139861   3.788672
    35  H    5.374047   6.579688   7.139101   4.767399   4.288270
    36  H    4.830225   5.987186   6.601919   4.703832   4.249759
    37  H    4.754295   5.554349   6.508506   3.099934   2.690102
    38  C    6.278804   6.286412   7.350511   5.821528   5.700727
    39  O    6.257000   6.098342   7.055113   6.543079   6.610760
    40  N    5.911482   6.297916   7.200521   5.700815   5.420131
    41  H    6.898189   6.768545   8.014874   5.488794   5.285217
    42  C    5.393949   6.074333   6.622639   6.463109   6.275294
    43  H    4.939858   5.473718   5.938973   6.676507   6.687104
    44  H    6.333897   7.093820   7.509137   7.466548   7.181630
    45  H    4.842054   5.783489   6.244312   6.092029   5.875617
    46  C    6.437949   6.944994   7.935145   5.238852   4.663853
    47  H    7.022586   7.309136   8.485599   4.957310   4.314545
    48  H    5.754156   6.403269   7.367814   4.563728   3.978112
    49  H    7.216745   7.877330   8.735619   6.189690   5.497582
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056931   0.000000
    18  C    1.465178   3.417706   0.000000
    19  H    2.099268   4.089979   1.101746   0.000000
    20  H    2.121783   3.988951   1.102781   1.791203   0.000000
    21  H    2.102703   3.653036   1.097607   1.797408   1.797370
    22  C    1.463142   2.560768   2.491165   2.614815   2.929773
    23  H    2.114822   3.308754   2.796006   2.936807   2.815149
    24  H    2.106920   3.344809   2.734107   2.400144   3.333594
    25  H    2.104498   2.154186   3.418250   3.634824   3.885659
    26  C    6.134271   5.467258   6.788825   6.752135   7.864250
    27  O    6.860635   6.389519   7.304966   7.219992   8.392649
    28  N    5.148615   4.248749   5.931227   6.081801   6.958289
    29  H    6.461845   5.758788   7.224667   7.104608   8.291025
    30  C    4.752836   3.483984   5.832657   6.050515   6.776925
    31  H    5.346560   3.739852   6.502983   6.857059   7.373132
    32  H    3.686515   2.432129   4.843138   5.121146   5.745427
    33  H    5.266082   4.141343   6.367709   6.436217   7.320218
    34  C    5.008472   4.175081   5.606406   5.931743   6.579736
    35  H    5.802585   4.696641   6.462011   6.891291   7.370511
    36  H    5.406628   4.939737   5.742403   5.961067   6.743165
    37  H    4.050247   3.241355   4.674871   5.128855   5.595093
    38  C    5.305332   6.660538   4.416743   3.854371   5.184194
    39  O    5.852076   7.303528   4.997513   4.206513   5.731035
    40  N    5.492221   6.466030   4.853257   4.504692   5.743373
    41  H    4.935685   6.440093   3.835264   3.399832   4.450941
    42  C    6.333602   7.050605   5.935222   5.515472   6.913140
    43  H    6.376963   7.200507   6.012429   5.421527   6.995607
    44  H    7.371617   8.077619   6.896597   6.486036   7.831536
    45  H    6.165395   6.563964   5.999999   5.717536   7.036613
    46  C    5.319793   6.057174   4.734353   4.721456   5.570865
    47  H    4.957484   5.903724   4.162223   4.256123   4.852501
    48  H    4.857189   5.268546   4.570337   4.684652   5.493371
    49  H    6.369939   6.982960   5.784492   5.801558   6.573183
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390784   0.000000
    23  H    3.829189   1.102364   0.000000
    24  H    3.609878   1.102457   1.789997   0.000000
    25  H    4.179133   1.098882   1.797407   1.795321   0.000000
    26  C    6.513570   6.463921   7.566189   6.195451   6.175665
    27  O    6.890514   7.324676   8.420063   6.997297   7.166151
    28  N    5.651285   5.600201   6.689574   5.537076   5.259715
    29  H    7.101979   6.545809   7.632174   6.201528   6.157265
    30  C    5.781079   4.943852   5.991738   5.014332   4.358407
    31  H    6.413755   5.591736   6.576324   5.825648   4.898429
    32  H    4.883810   3.890378   4.927106   4.066204   3.328047
    33  H    6.445026   5.174040   6.206365   5.089430   4.521349
    34  C    5.090242   5.816253   6.853050   5.902902   5.625893
    35  H    5.907988   6.638265   7.643453   6.832283   6.352731
    36  H    5.102024   6.291126   7.321889   6.252581   6.261326
    37  H    4.169306   4.982389   5.968422   5.201659   4.850475
    38  C    3.927243   6.030565   6.664935   5.487056   6.783630
    39  O    4.742159   6.313956   6.898103   5.589072   7.085405
    40  N    4.192188   6.337898   7.122695   5.885113   6.925494
    41  H    3.264435   5.801020   6.316444   5.403718   6.643395
    42  C    5.378457   7.003995   7.890329   6.441471   7.444007
    43  H    5.640476   6.831283   7.696625   6.123705   7.279543
    44  H    6.269838   8.086630   8.955389   7.526629   8.539521
    45  H    5.426959   6.853496   7.823165   6.378184   7.145610
    46  C    3.836110   6.422355   7.208881   6.213272   6.947901
    47  H    3.177826   6.164727   6.826914   6.057269   6.796822
    48  H    3.709660   5.960461   6.836778   5.833614   6.337518
    49  H    4.837199   7.503471   8.293772   7.307868   7.996269
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242792   0.000000
    28  N    1.361049   2.315042   0.000000
    29  H    1.107783   2.057713   2.057069   0.000000
    30  C    2.466344   3.635329   1.462960   2.562474   0.000000
    31  H    3.141958   4.234620   2.116065   3.266747   1.102998
    32  H    3.228083   4.319633   2.108876   3.388694   1.102080
    33  H    2.554189   3.796659   2.103716   2.162509   1.098580
    34  C    2.463194   2.852413   1.464912   3.413673   2.495572
    35  H    3.034298   3.346392   2.121892   3.944800   2.938033
    36  H    2.580486   2.489439   2.100310   3.657333   3.391634
    37  H    3.288883   3.798989   2.099474   4.114447   2.621434
    38  C    6.214750   5.983662   6.146892   6.811650   6.943709
    39  O    6.628955   6.415309   6.724138   7.062530   7.450517
    40  N    5.266470   4.884400   5.259642   5.997260   6.259877
    41  H    6.828595   6.688726   6.555606   7.472740   7.248624
    42  C    4.583649   3.988415   4.946358   5.244801   6.092553
    43  H    4.705671   4.241276   5.187043   5.153964   6.192228
    44  H    5.295959   4.494959   5.770188   5.983301   7.011374
    45  H    3.582624   2.936921   3.981076   4.339667   5.227566
    46  C    5.297430   4.934899   5.027981   6.200058   6.060818
    47  H    6.110376   5.885569   5.658664   6.987203   6.520053
    48  H    4.398923   4.154613   4.001341   5.346512   5.042340
    49  H    5.737291   5.167968   5.581971   6.705556   6.749215
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787294   0.000000
    33  H    1.798900   1.793793   0.000000
    34  C    2.804408   2.740641   3.420293   0.000000
    35  H    2.829098   3.343036   3.892396   1.103492   0.000000
    36  H    3.835179   3.614678   4.175762   1.097285   1.796498
    37  H    2.945124   2.410993   3.639635   1.099775   1.789895
    38  C    7.864212   6.508230   7.323379   5.815879   6.801878
    39  O    8.449575   7.036559   7.662905   6.627519   7.663020
    40  N    7.119061   5.987823   6.713777   4.817606   5.742426
    41  H    8.103759   6.684357   7.731081   6.064185   7.006103
    42  C    6.984269   6.057628   6.391140   4.767128   5.668773
    43  H    7.174891   6.139379   6.316813   5.288692   6.262909
    44  H    7.852058   7.053235   7.315196   5.508134   6.300095
    45  H    6.063441   5.323072   5.564178   3.818584   4.679914
    46  C    6.751944   5.774708   6.726552   4.203411   4.975078
    47  H    7.174736   6.068968   7.241135   4.757750   5.501436
    48  H    5.682974   4.807872   5.770261   3.106064   3.890754
    49  H    7.364837   6.584967   7.436282   4.654676   5.265018
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.797241   0.000000
    38  C    5.153283   5.557419   0.000000
    39  O    5.998456   6.428451   1.242605   0.000000
    40  N    4.015679   4.734086   1.361179   2.315749   0.000000
    41  H    5.485456   5.626688   1.109215   2.058400   2.057748
    42  C    3.880727   4.995386   2.468469   2.861375   1.466008
    43  H    4.535122   5.496461   2.580024   2.489096   2.104187
    44  H    4.520001   5.828747   3.066655   3.389371   2.123887
    45  H    2.914074   4.205693   3.275620   3.787256   2.098509
    46  C    3.391784   4.029858   2.467035   3.636246   1.463189
    47  H    4.110353   4.343861   2.551171   3.793385   2.104720
    48  H    2.345850   2.955619   3.176933   4.262109   2.109953
    49  H    3.711388   4.646767   3.195688   4.295500   2.113395
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418136   0.000000
    43  H    3.655270   1.098133   0.000000
    44  H    3.983153   1.102655   1.796205   0.000000
    45  H    4.094535   1.100150   1.794968   1.791468   0.000000
    46  C    2.562155   2.492863   3.383310   2.962119   2.596840
    47  H    2.155678   3.420426   4.177786   3.898668   3.632416
    48  H    3.318353   2.755336   3.597272   3.402020   2.415452
    49  H    3.338829   2.779833   3.819243   2.842504   2.869104
                   46         47         48         49
    46  C    0.000000
    47  H    1.098506   0.000000
    48  H    1.103074   1.795263   0.000000
    49  H    1.102256   1.796076   1.790178   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2135670      0.1939812      0.1841940
 Leave Link  202 at Mon Nov 14 02:50:55 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1847.6906022929 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1837898898 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.5068124031 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4021
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.21D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     206
 GePol: Fraction of low-weight points (<1% of avg)   =       5.12%
 GePol: Cavity surface area                          =    467.514 Ang**2
 GePol: Cavity volume                                =    457.833 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040262334 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.5027861697 Hartrees.
 Leave Link  301 at Mon Nov 14 02:50:55 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11973 LenP2D=   37485.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:50:56 2016, MaxMem=  2952790016 cpu:        14.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:50:57 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001247    0.005242   -0.001949
         Rot=    1.000000   -0.000187    0.000312   -0.000486 Ang=  -0.07 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50894872086    
 Leave Link  401 at Mon Nov 14 02:51:04 2016, MaxMem=  2952790016 cpu:        80.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48505323.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.01D-14 for   2325.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.36D-15 for   1886    983.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.04D-14 for   2044.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.67D-11 for   1894   1886.
 E= -1013.45019937818    
 DIIS: error= 8.95D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45019937818     IErMin= 1 ErrMin= 8.95D-04
 ErrMax= 8.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.77D-04 BMatP= 6.77D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.95D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.38D-04 MaxDP=4.04D-03              OVMax= 7.16D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.38D-04    CP:  1.00D+00
 E= -1013.45128988575     Delta-E=       -0.001090507570 Rises=F Damp=F
 DIIS: error= 1.16D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128988575     IErMin= 2 ErrMin= 1.16D-04
 ErrMax= 1.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-05 BMatP= 6.77D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.16D-03
 Coeff-Com:  0.305D-01 0.970D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.304D-01 0.970D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.35D-05 MaxDP=2.03D-03 DE=-1.09D-03 OVMax= 2.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.19D-05    CP:  1.00D+00  9.31D-01
 E= -1013.45123778582     Delta-E=        0.000052099932 Rises=F Damp=F
 DIIS: error= 3.42D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128988575     IErMin= 2 ErrMin= 1.16D-04
 ErrMax= 3.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.12D-05 BMatP= 1.68D-05
 IDIUse=3 WtCom= 3.51D-01 WtEn= 6.49D-01
 Coeff-Com:  0.298D-02 0.697D+00 0.300D+00
 Coeff-En:   0.000D+00 0.776D+00 0.224D+00
 Coeff:      0.105D-02 0.749D+00 0.250D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.05D-05 MaxDP=1.33D-03 DE= 5.21D-05 OVMax= 1.90D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.04D-06    CP:  1.00D+00  9.54D-01  4.23D-01
 E= -1013.45130314903     Delta-E=       -0.000065363212 Rises=F Damp=F
 DIIS: error= 3.80D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45130314903     IErMin= 4 ErrMin= 3.80D-05
 ErrMax= 3.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-06 BMatP= 1.68D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.514D-04 0.307D+00 0.854D-01 0.608D+00
 Coeff:     -0.514D-04 0.307D+00 0.854D-01 0.608D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.89D-06 MaxDP=2.65D-04 DE=-6.54D-05 OVMax= 3.05D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.07D-06    CP:  1.00D+00  9.64D-01  3.54D-01  6.52D-01
 E= -1013.45130397336     Delta-E=       -0.000000824335 Rises=F Damp=F
 DIIS: error= 4.91D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45130397336     IErMin= 4 ErrMin= 3.80D-05
 ErrMax= 4.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.35D-07 BMatP= 1.47D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.369D-05 0.153D+00 0.326D-01 0.427D+00 0.387D+00
 Coeff:      0.369D-05 0.153D+00 0.326D-01 0.427D+00 0.387D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.72D-06 MaxDP=1.28D-04 DE=-8.24D-07 OVMax= 1.69D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.82D-07    CP:  1.00D+00  9.65D-01  3.46D-01  6.82D-01  5.37D-01
 E= -1013.45130443753     Delta-E=       -0.000000464171 Rises=F Damp=F
 DIIS: error= 1.90D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45130443753     IErMin= 6 ErrMin= 1.90D-06
 ErrMax= 1.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-09 BMatP= 5.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-04 0.425D-01 0.831D-02 0.128D+00 0.133D+00 0.688D+00
 Coeff:     -0.172D-04 0.425D-01 0.831D-02 0.128D+00 0.133D+00 0.688D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.09D-07 MaxDP=9.04D-06 DE=-4.64D-07 OVMax= 1.16D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.83D-07    CP:  1.00D+00  9.65D-01  3.47D-01  6.87D-01  5.29D-01
                    CP:  9.07D-01
 E= -1013.45130443913     Delta-E=       -0.000000001594 Rises=F Damp=F
 DIIS: error= 8.25D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45130443913     IErMin= 7 ErrMin= 8.25D-07
 ErrMax= 8.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.92D-10 BMatP= 2.08D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.147D-04 0.113D-01 0.207D-02 0.366D-01 0.420D-01 0.370D+00
 Coeff-Com:  0.538D+00
 Coeff:     -0.147D-04 0.113D-01 0.207D-02 0.366D-01 0.420D-01 0.370D+00
 Coeff:      0.538D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.36D-08 MaxDP=3.06D-06 DE=-1.59D-09 OVMax= 4.22D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.97D-08    CP:  1.00D+00  9.65D-01  3.47D-01  6.87D-01  5.33D-01
                    CP:  9.12D-01  7.16D-01
 E= -1013.45130443961     Delta-E=       -0.000000000484 Rises=F Damp=F
 DIIS: error= 2.95D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45130443961     IErMin= 8 ErrMin= 2.95D-07
 ErrMax= 2.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.59D-11 BMatP= 4.92D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.817D-05 0.438D-02 0.806D-03 0.147D-01 0.178D-01 0.186D+00
 Coeff-Com:  0.335D+00 0.441D+00
 Coeff:     -0.817D-05 0.438D-02 0.806D-03 0.147D-01 0.178D-01 0.186D+00
 Coeff:      0.335D+00 0.441D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.10D-08 MaxDP=1.87D-06 DE=-4.84D-10 OVMax= 3.10D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.50D-08    CP:  1.00D+00  9.65D-01  3.47D-01  6.87D-01  5.33D-01
                    CP:  9.13D-01  7.34D-01  6.41D-01
 E= -1013.45130443971     Delta-E=       -0.000000000098 Rises=F Damp=F
 DIIS: error= 2.01D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45130443971     IErMin= 9 ErrMin= 2.01D-07
 ErrMax= 2.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-11 BMatP= 6.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.268D-05 0.757D-03 0.153D-03 0.287D-02 0.404D-02 0.595D-01
 Coeff-Com:  0.140D+00 0.376D+00 0.417D+00
 Coeff:     -0.268D-05 0.757D-03 0.153D-03 0.287D-02 0.404D-02 0.595D-01
 Coeff:      0.140D+00 0.376D+00 0.417D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.47D-08 MaxDP=7.57D-07 DE=-9.82D-11 OVMax= 1.36D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.50D-09    CP:  1.00D+00  9.65D-01  3.47D-01  6.87D-01  5.33D-01
                    CP:  9.15D-01  7.32D-01  6.95D-01  5.15D-01
 E= -1013.45130443968     Delta-E=        0.000000000027 Rises=F Damp=F
 DIIS: error= 1.55D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1013.45130443971     IErMin=10 ErrMin= 1.55D-08
 ErrMax= 1.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-13 BMatP= 2.81D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.882D-06 0.135D-03 0.340D-04 0.600D-03 0.998D-03 0.184D-01
 Coeff-Com:  0.477D-01 0.151D+00 0.190D+00 0.592D+00
 Coeff:     -0.882D-06 0.135D-03 0.340D-04 0.600D-03 0.998D-03 0.184D-01
 Coeff:      0.477D-01 0.151D+00 0.190D+00 0.592D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.65D-09 MaxDP=1.27D-07 DE= 2.73D-11 OVMax= 1.08D-07

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45130444     A.U. after   10 cycles
            NFock= 10  Conv=0.17D-08     -V/T= 2.0213
 KE= 9.923458592101D+02 PE=-6.026528201223D+03 EE= 2.173228251404D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:52:59 2016, MaxMem=  2952790016 cpu:      1319.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11973 LenP2D=   37485.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     358
 Leave Link  701 at Mon Nov 14 02:53:07 2016, MaxMem=  2952790016 cpu:        96.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:53:07 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:53:44 2016, MaxMem=  2952790016 cpu:       439.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19599103D+00-2.65584786D+00 3.29034172D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000060903    0.000366019   -0.000035029
      2        6           0.000124818    0.000154775    0.000021220
      3        8          -0.000039181    0.000021478    0.000232911
      4        7           0.000253193    0.000139946   -0.000041855
      5        1          -0.000017396    0.000010759    0.000001763
      6        6           0.000002670   -0.000422885   -0.000101890
      7        1          -0.000035149    0.000046487    0.000075554
      8        1          -0.000125000    0.000038961   -0.000137485
      9        1          -0.000017602    0.000142878    0.000119582
     10        6           0.000006450   -0.000054163   -0.000004405
     11        1          -0.000005871   -0.000021039   -0.000030818
     12        1           0.000003327    0.000072591    0.000005766
     13        1           0.000011371    0.000055759    0.000040536
     14        6          -0.000178061    0.000050360    0.000052897
     15        8          -0.000003837   -0.000092031   -0.000083984
     16        7           0.000030609    0.000065667   -0.000008852
     17        1           0.000011106    0.000008853   -0.000039879
     18        6           0.000055077    0.000025224   -0.000147548
     19        1          -0.000002780   -0.000045587   -0.000030730
     20        1           0.000009206   -0.000019052   -0.000046627
     21        1          -0.000020258   -0.000018082   -0.000035103
     22        6           0.000004960   -0.000035597    0.000027717
     23        1           0.000039556    0.000024112   -0.000072639
     24        1           0.000018799    0.000058449   -0.000074718
     25        1           0.000036033    0.000037960   -0.000021391
     26        6          -0.000031219   -0.000016877    0.000204560
     27        8           0.000095896    0.000036157   -0.000017612
     28        7          -0.000019015    0.000073307   -0.000050823
     29        1          -0.000064398    0.000041058   -0.000003482
     30        6          -0.000002566   -0.000086245    0.000014804
     31        1           0.000061479    0.000075716   -0.000022004
     32        1          -0.000007123   -0.000002301    0.000080104
     33        1          -0.000049427    0.000057688   -0.000002760
     34        6          -0.000019745   -0.000095676    0.000041466
     35        1          -0.000018562    0.000004478    0.000016227
     36        1          -0.000113148   -0.000061856   -0.000042249
     37        1           0.000017544   -0.000038054    0.000035792
     38        6          -0.000012809   -0.000332647    0.000177895
     39        8           0.000252001   -0.000160655   -0.000017457
     40        7           0.000062808    0.000168302   -0.000326628
     41        1          -0.000059586    0.000142340   -0.000034452
     42        6          -0.000242986   -0.000093709    0.000019553
     43        1          -0.000067475   -0.000063502   -0.000023693
     44        1           0.000010514   -0.000016667    0.000107867
     45        1           0.000063033   -0.000075779    0.000100348
     46        6           0.000006772    0.000030456    0.000185893
     47        1           0.000007055   -0.000137159   -0.000013973
     48        1          -0.000080581   -0.000038854   -0.000071028
     49        1          -0.000011406   -0.000021363   -0.000023339
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000422885 RMS     0.000098461
 Leave Link  716 at Mon Nov 14 02:53:44 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000218009 RMS     0.000028373
 Search for a local minimum.
 Step number  60 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .28373D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   44   46   49   51   53
                                                     55   56   57   59   60
 DE= -6.26D-06 DEPred=-1.86D-05 R= 3.36D-01
 Trust test= 3.36D-01 RLast= 4.11D-01 DXMaxT set to 3.34D-01
 ITU=  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00001   0.00018   0.00049   0.00098   0.00182
     Eigenvalues ---    0.00194   0.00230   0.00338   0.00397   0.00474
     Eigenvalues ---    0.00540   0.00601   0.00623   0.00712   0.00756
     Eigenvalues ---    0.00818   0.00824   0.00902   0.01012   0.01042
     Eigenvalues ---    0.01133   0.01164   0.01240   0.01292   0.01317
     Eigenvalues ---    0.01422   0.01505   0.01549   0.01642   0.01696
     Eigenvalues ---    0.01730   0.01781   0.01795   0.01878   0.01899
     Eigenvalues ---    0.01912   0.02087   0.02115   0.02261   0.02320
     Eigenvalues ---    0.02437   0.02624   0.02705   0.02939   0.03100
     Eigenvalues ---    0.03250   0.03833   0.04086   0.04369   0.04575
     Eigenvalues ---    0.04804   0.05325   0.05607   0.05884   0.06111
     Eigenvalues ---    0.06174   0.06341   0.06564   0.06770   0.06977
     Eigenvalues ---    0.07035   0.07274   0.07855   0.08003   0.08088
     Eigenvalues ---    0.08124   0.08223   0.08308   0.08493   0.08707
     Eigenvalues ---    0.08821   0.08863   0.09031   0.09214   0.09498
     Eigenvalues ---    0.09601   0.09812   0.09867   0.10115   0.10271
     Eigenvalues ---    0.10371   0.10486   0.10597   0.10994   0.11180
     Eigenvalues ---    0.11203   0.11254   0.11591   0.11639   0.13218
     Eigenvalues ---    0.13539   0.14131   0.14552   0.15096   0.15315
     Eigenvalues ---    0.15504   0.15710   0.21284   0.22387   0.22821
     Eigenvalues ---    0.23598   0.24560   0.24792   0.25393   0.26183
     Eigenvalues ---    0.27070   0.27635   0.28272   0.29262   0.29587
     Eigenvalues ---    0.29846   0.32067   0.32725   0.32817   0.32823
     Eigenvalues ---    0.32843   0.33307   0.33356   0.33371   0.33374
     Eigenvalues ---    0.33410   0.33426   0.33444   0.33516   0.33693
     Eigenvalues ---    0.33792   0.33816   0.33845   0.33925   0.33981
     Eigenvalues ---    0.34012   0.34128   0.34192   0.37322   0.39058
     Eigenvalues ---    0.40521   0.44535   0.85944   0.86088   0.86233
     Eigenvalues ---    0.90760
 Eigenvalue     1 is   7.27D-06 Eigenvector:
                         D375      D381      D383      D373      D369
   1                   -0.20486  -0.20005  -0.19647  -0.19572  -0.19517
                         D371      D397      D379      D377      D399
   1                   -0.19427  -0.19239  -0.19048  -0.19046  -0.18875
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    60   59   58
 RFO step:  Lambda=-3.06589692D-06.
 NNeg= 0 NP= 3 Switch=  2.50D-03 Rises=F DC=  1.95D-03 SmlDif=  1.00D-05
 RMS Error=  0.1803449708D-03 NUsed= 3 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.30689    0.69490   -0.00179
 Iteration  1 RMS(Cart)=  0.00313473 RMS(Int)=  0.00004954
 Iteration  2 RMS(Cart)=  0.00001148 RMS(Int)=  0.00004823
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00004823
 ITry= 1 IFail=0 DXMaxC= 3.45D-02 DCOld= 1.00D+10 DXMaxT= 3.34D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.60324  -0.00013  -0.01023   0.00499  -0.00523   6.59802
    R2        6.25741   0.00000   0.00369   0.00121   0.00489   6.26230
    R3        7.26230  -0.00004   0.00351   0.00579   0.00927   7.27158
    R4        6.36703  -0.00001   0.00062   0.00053   0.00116   6.36819
    R5        6.52799   0.00000  -0.00261  -0.00457  -0.00718   6.52080
    R6        5.98186   0.00003  -0.00271   0.00220  -0.00050   5.98135
    R7        6.69333   0.00000   0.00278  -0.00293  -0.00014   6.69319
    R8        6.23393  -0.00002  -0.00293   0.00187  -0.00106   6.23287
    R9        6.65831   0.00000  -0.00133   0.00037  -0.00096   6.65736
   R10        6.06922   0.00002   0.00362   0.00145   0.00507   6.07428
   R11        6.96618  -0.00004  -0.00303   0.00301  -0.00003   6.96614
   R12        6.03314  -0.00001  -0.00027   0.00324   0.00298   6.03612
   R13        6.86945  -0.00002  -0.00078  -0.00097  -0.00175   6.86770
   R14        6.20253  -0.00001  -0.00437   0.00174  -0.00261   6.19992
   R15        6.88485  -0.00003  -0.00503   0.00267  -0.00233   6.88252
   R16        5.96188  -0.00001   0.00181  -0.00383  -0.00204   5.95985
   R17        6.69525   0.00005  -0.00597   0.00240  -0.00356   6.69169
   R18        6.66372  -0.00022   0.01033  -0.02593  -0.01554   6.64819
   R19        6.21238  -0.00007  -0.00447   0.00528   0.00097   6.21335
   R20        6.60654  -0.00010   0.00127  -0.00277  -0.00150   6.60504
   R21        6.09887  -0.00001  -0.02318   0.02176  -0.00163   6.09724
   R22        6.95020   0.00007  -0.00975   0.01781   0.00822   6.95842
   R23        5.97495   0.00001  -0.00467   0.01140   0.00672   5.98168
   R24        2.34979  -0.00007   0.00007  -0.00008  -0.00001   2.34979
   R25        2.57137  -0.00001   0.00017  -0.00015   0.00001   2.57138
   R26        2.09490   0.00000  -0.00021   0.00002  -0.00019   2.09471
   R27        2.76637  -0.00017  -0.00057  -0.00027  -0.00082   2.76554
   R28        2.76833  -0.00003   0.00009   0.00020   0.00029   2.76862
   R29        2.07631   0.00005   0.00014   0.00007   0.00021   2.07653
   R30        2.08289  -0.00009   0.00002   0.00021   0.00025   2.08315
   R31        2.08315  -0.00002  -0.00009  -0.00010  -0.00019   2.08296
   R32        2.08095  -0.00002   0.00012  -0.00013   0.00001   2.08096
   R33        2.07474  -0.00002  -0.00004  -0.00001  -0.00005   2.07469
   R34        2.08365  -0.00002  -0.00010  -0.00006  -0.00016   2.08350
   R35        2.34898  -0.00006  -0.00011   0.00006  -0.00005   2.34893
   R36        2.57172  -0.00003  -0.00014  -0.00005  -0.00021   2.57150
   R37        2.09408   0.00000   0.00001   0.00000   0.00001   2.09409
   R38        2.76879  -0.00004  -0.00010  -0.00001  -0.00011   2.76868
   R39        2.76494   0.00000   0.00002  -0.00001   0.00001   2.76494
   R40        2.08200  -0.00004  -0.00014  -0.00008  -0.00022   2.08178
   R41        2.08395   0.00000   0.00003  -0.00001   0.00001   2.08397
   R42        2.07418   0.00000   0.00011  -0.00001   0.00010   2.07428
   R43        2.08317  -0.00001   0.00003  -0.00007  -0.00004   2.08313
   R44        2.08334   0.00003   0.00012  -0.00011   0.00006   2.08340
   R45        2.07659   0.00000   0.00005  -0.00002   0.00002   2.07661
   R46        2.34854  -0.00001  -0.00001  -0.00007  -0.00008   2.34846
   R47        2.57201   0.00001  -0.00030   0.00040   0.00007   2.57208
   R48        2.09341   0.00001   0.00006  -0.00002   0.00004   2.09344
   R49        2.76459   0.00001   0.00007  -0.00013  -0.00010   2.76450
   R50        2.76828   0.00004   0.00023  -0.00001   0.00022   2.76850
   R51        2.08436  -0.00001  -0.00002  -0.00005  -0.00006   2.08430
   R52        2.08263   0.00001  -0.00021   0.00041   0.00013   2.08276
   R53        2.07602   0.00001   0.00004   0.00002   0.00006   2.07608
   R54        2.08530   0.00000  -0.00005   0.00005   0.00000   2.08530
   R55        2.07357  -0.00001   0.00013  -0.00017  -0.00004   2.07353
   R56        2.07827  -0.00001  -0.00008   0.00007  -0.00001   2.07827
   R57        2.34818  -0.00012  -0.00008  -0.00006  -0.00014   2.34804
   R58        2.57226  -0.00012  -0.00019   0.00028  -0.00002   2.57224
   R59        2.09611  -0.00010  -0.00025  -0.00002  -0.00027   2.09585
   R60        2.77035  -0.00014  -0.00027   0.00024  -0.00016   2.77019
   R61        2.76503   0.00008   0.00001   0.00060   0.00050   2.76553
   R62        2.07517   0.00003  -0.00020   0.00034   0.00014   2.07531
   R63        2.08372   0.00004   0.00009   0.00002   0.00011   2.08383
   R64        2.07898   0.00008   0.00041   0.00029   0.00059   2.07957
   R65        2.07588   0.00005   0.00021  -0.00019   0.00002   2.07590
   R66        2.08451  -0.00002  -0.00015   0.00023   0.00007   2.08457
   R67        2.08296  -0.00001   0.00012  -0.00019  -0.00007   2.08289
    A1        0.67985  -0.00003  -0.00015  -0.00067  -0.00082   0.67903
    A2        0.95684  -0.00004  -0.00049  -0.00126  -0.00176   0.95508
    A3        0.72663   0.00000   0.00085   0.00003   0.00088   0.72751
    A4        1.01861   0.00000   0.00085  -0.00018   0.00068   1.01928
    A5        2.34270   0.00003  -0.00043   0.00163   0.00120   2.34391
    A6        2.02581   0.00002  -0.00207   0.00304   0.00097   2.02678
    A7        1.98454   0.00001  -0.00436   0.00486   0.00049   1.98503
    A8        1.69205   0.00001  -0.00515   0.00511  -0.00006   1.69199
    A9        1.65481   0.00002  -0.00122   0.00234   0.00110   1.65590
   A10        1.37414   0.00001  -0.00173   0.00282   0.00106   1.37520
   A11        1.73045  -0.00002   0.00227  -0.00253  -0.00025   1.73020
   A12        2.03496  -0.00001   0.00264  -0.00217   0.00047   2.03544
   A13        1.93936  -0.00001   0.00274  -0.00136   0.00137   1.94074
   A14        2.02193   0.00002   0.00464  -0.00272   0.00192   2.02385
   A15        2.42980  -0.00001   0.00263  -0.00241   0.00022   2.43001
   A16        1.57478   0.00001  -0.01065   0.00874  -0.00193   1.57285
   A17        1.77694  -0.00002  -0.00689   0.00455  -0.00235   1.77459
   A18        1.55923  -0.00001  -0.00150  -0.00084  -0.00239   1.55684
   A19        1.70149   0.00000  -0.00053  -0.00118  -0.00170   1.69979
   A20        2.18491  -0.00001  -0.00601   0.00310  -0.00289   2.18202
   A21        2.40222  -0.00002  -0.00417   0.00131  -0.00284   2.39938
   A22        0.64244  -0.00003  -0.00035  -0.00019  -0.00054   0.64189
   A23        0.65924  -0.00001   0.00008  -0.00021  -0.00013   0.65911
   A24        2.39257   0.00001  -0.00024   0.00004  -0.00019   2.39238
   A25        2.22333   0.00001  -0.00275   0.00256  -0.00020   2.22313
   A26        2.32626   0.00000  -0.00467   0.00462  -0.00005   2.32621
   A27        2.06293   0.00001  -0.00549   0.00500  -0.00050   2.06243
   A28        1.81626   0.00001  -0.00285   0.00267  -0.00020   1.81607
   A29        1.57630   0.00000  -0.00340   0.00353   0.00010   1.57640
   A30        1.33769  -0.00002   0.00198  -0.00209  -0.00010   1.33759
   A31        1.63670  -0.00002   0.00205  -0.00193   0.00012   1.63682
   A32        1.58588  -0.00002   0.00179  -0.00158   0.00021   1.58609
   A33        1.73289   0.00000   0.00355  -0.00320   0.00035   1.73324
   A34        2.03353  -0.00001   0.00233  -0.00202   0.00031   2.03384
   A35        1.83290   0.00003  -0.01117   0.01121   0.00002   1.83292
   A36        1.90459   0.00000  -0.00666   0.00622  -0.00045   1.90414
   A37        1.55986   0.00001  -0.00293   0.00253  -0.00045   1.55941
   A38        1.58185   0.00001  -0.00178   0.00187   0.00009   1.58195
   A39        2.26672   0.00000  -0.00300   0.00197  -0.00100   2.26572
   A40        2.35695  -0.00001  -0.00056   0.00014  -0.00039   2.35656
   A41        0.68825  -0.00001  -0.00017  -0.00030  -0.00047   0.68778
   A42        0.74545   0.00000  -0.00018  -0.00112  -0.00130   0.74415
   A43        2.65551   0.00001   0.00027  -0.00155  -0.00128   2.65423
   A44        2.60128  -0.00001  -0.00307   0.00190  -0.00117   2.60010
   A45        2.66277  -0.00002  -0.00429   0.00415  -0.00014   2.66263
   A46        2.35845  -0.00001  -0.00444   0.00420  -0.00024   2.35821
   A47        2.19441  -0.00001  -0.00336   0.00222  -0.00114   2.19327
   A48        1.96099  -0.00002  -0.00371   0.00303  -0.00070   1.96029
   A49        1.09461   0.00000   0.00168  -0.00241  -0.00072   1.09389
   A50        1.45470   0.00000   0.00161  -0.00234  -0.00073   1.45397
   A51        1.55411  -0.00001   0.00129  -0.00234  -0.00105   1.55306
   A52        1.78551   0.00000   0.00274  -0.00377  -0.00103   1.78448
   A53        1.78194   0.00002   0.00188  -0.00211  -0.00023   1.78171
   A54        1.68929   0.00002  -0.01132   0.01321   0.00187   1.69116
   A55        1.63254   0.00000  -0.00625   0.00730   0.00104   1.63358
   A56        1.23558   0.00002  -0.00363   0.00462   0.00094   1.23652
   A57        1.20842   0.00003  -0.00190   0.00308   0.00117   1.20959
   A58        1.93540   0.00001  -0.00144   0.00177   0.00035   1.93576
   A59        1.97983   0.00001   0.00025   0.00045   0.00070   1.98054
   A60        0.83898  -0.00001   0.00013   0.00121   0.00135   0.84033
   A61        0.77455   0.00000   0.00027   0.00080   0.00107   0.77562
   A62        2.59552   0.00003   0.00176   0.00006   0.00182   2.59735
   A63        2.76600   0.00000  -0.00221   0.00308   0.00088   2.76688
   A64        2.61687  -0.00002  -0.00412   0.00231  -0.00180   2.61507
   A65        2.39321  -0.00002  -0.00357   0.00392   0.00034   2.39355
   A66        2.19986  -0.00003  -0.00405   0.00428   0.00021   2.20007
   A67        0.85173   0.00001   0.00197  -0.00092   0.00106   0.85279
   A68        1.22817   0.00002   0.00189  -0.00068   0.00122   1.22939
   A69        1.40645   0.00000   0.00160  -0.00026   0.00134   1.40779
   A70        1.67442   0.00001   0.00275  -0.00128   0.00147   1.67589
   A71        1.51859   0.00003   0.00215  -0.00095   0.00120   1.51979
   A72        1.70517   0.00001  -0.01120   0.01090  -0.00032   1.70485
   A73        1.54436   0.00000  -0.00618   0.00522  -0.00096   1.54340
   A74        1.11709   0.00002  -0.00514   0.00427  -0.00093   1.11616
   A75        1.01244   0.00003  -0.00309   0.00303  -0.00007   1.01237
   A76        1.77042   0.00002  -0.00039  -0.00066  -0.00103   1.76939
   A77        1.75643   0.00002   0.00102  -0.00099   0.00004   1.75647
   A78        1.99410   0.00001  -0.00002  -0.00072  -0.00073   1.99337
   A79        1.94103   0.00000  -0.00279   0.00182  -0.00097   1.94006
   A80        2.22191  -0.00001  -0.00465   0.00372  -0.00092   2.22099
   A81        2.08192  -0.00001  -0.00639   0.00487  -0.00152   2.08039
   A82        1.55428  -0.00001  -0.00371   0.00274  -0.00097   1.55331
   A83        1.38883  -0.00001  -0.00444   0.00402  -0.00043   1.38840
   A84        1.19693   0.00001   0.00227  -0.00117   0.00111   1.19804
   A85        1.38167   0.00000   0.00237  -0.00131   0.00107   1.38274
   A86        1.21376  -0.00001   0.00193  -0.00128   0.00066   1.21441
   A87        1.31468   0.00001   0.00362  -0.00322   0.00041   1.31509
   A88        1.80760   0.00001   0.00280  -0.00147   0.00134   1.80894
   A89        2.26447   0.00002  -0.01093   0.01104   0.00009   2.26456
   A90        2.31416   0.00000  -0.00653   0.00688   0.00033   2.31449
   A91        1.92310   0.00001  -0.00395   0.00453   0.00054   1.92364
   A92        1.85088   0.00002  -0.00312   0.00436   0.00124   1.85212
   A93        2.60899   0.00000  -0.00048   0.00073   0.00030   2.60929
   A94        2.54706   0.00001   0.00274  -0.00123   0.00154   2.54860
   A95        1.91104   0.00001   0.00055  -0.00050   0.00005   1.91110
   A96        1.99379   0.00000  -0.00224   0.00225   0.00001   1.99380
   A97        2.37144  -0.00001  -0.00357   0.00364   0.00008   2.37153
   A98        2.32902  -0.00001  -0.00601   0.00536  -0.00065   2.32838
   A99        1.66724  -0.00001  -0.00382   0.00387   0.00005   1.66728
   A100       1.57489  -0.00002  -0.00449   0.00522   0.00072   1.57561
   A101       0.89032   0.00001   0.00208  -0.00157   0.00052   0.89083
   A102       1.05955   0.00000   0.00222  -0.00162   0.00061   1.06015
   A103       0.92866  -0.00001   0.00175  -0.00135   0.00040   0.92906
   A104       1.08490   0.00000   0.00332  -0.00296   0.00036   1.08527
   A105       1.48538   0.00001   0.00265  -0.00177   0.00088   1.48625
   A106       2.43423   0.00002  -0.01152   0.01206   0.00052   2.43475
   A107       2.31631   0.00000  -0.00573   0.00582   0.00010   2.31640
   A108       1.88556   0.00002  -0.00526   0.00537   0.00007   1.88563
   A109       1.71862   0.00002  -0.00425   0.00478   0.00052   1.71913
   A110       2.44770   0.00001   0.00223  -0.00218   0.00007   2.44777
   A111       2.28378   0.00001   0.00374  -0.00267   0.00107   2.28486
   A112       0.71408  -0.00001  -0.00017   0.00014  -0.00003   0.71405
   A113       1.00562  -0.00001  -0.00022   0.00006  -0.00015   1.00547
   A114       0.69522   0.00000   0.00009  -0.00007   0.00002   0.69524
   A115       0.98239   0.00001   0.00032  -0.00020   0.00013   0.98253
   A116       1.80517   0.00002   0.00068   0.00030   0.00097   1.80614
   A117       1.42346   0.00002   0.00074   0.00015   0.00089   1.42435
   A118       1.19153   0.00002   0.00036   0.00021   0.00057   1.19211
   A119       0.92127   0.00002  -0.00106   0.00138   0.00033   0.92160
   A120       1.24808   0.00000   0.00097  -0.00001   0.00096   1.24904
   A121       1.93551  -0.00004   0.01079  -0.01156  -0.00075   1.93476
   A122       1.97442  -0.00001   0.00662  -0.00616   0.00047   1.97489
   A123       2.32760  -0.00002   0.00293  -0.00225   0.00073   2.32833
   A124       2.23823  -0.00003   0.00105  -0.00060   0.00044   2.23867
   A125       1.62353  -0.00002   0.00339  -0.00216   0.00122   1.62475
   A126       1.49416  -0.00001   0.00258  -0.00153   0.00105   1.49521
   A127       0.65609  -0.00001  -0.00011  -0.00016  -0.00027   0.65581
   A128       0.66033   0.00001   0.00018  -0.00033  -0.00013   0.66020
   A129       2.17030   0.00001  -0.00026   0.00130   0.00105   2.17135
   A130       1.79681   0.00001   0.00000   0.00099   0.00099   1.79780
   A131       1.50557   0.00001  -0.00083   0.00162   0.00080   1.50638
   A132       1.21527   0.00001  -0.00169   0.00232   0.00064   1.21591
   A133       1.64143  -0.00001   0.00089   0.00001   0.00090   1.64233
   A134       1.77989  -0.00002   0.01159  -0.01302  -0.00140   1.77850
   A135       1.97222   0.00000   0.00818  -0.00823  -0.00004   1.97217
   A136       2.40008  -0.00002   0.00736  -0.00734   0.00006   2.40014
   A137       2.47337  -0.00002   0.00503  -0.00504   0.00000   2.47337
   A138       1.73184   0.00000   0.00367  -0.00288   0.00079   1.73262
   A139       1.70121   0.00000   0.00298  -0.00249   0.00048   1.70169
   A140       0.70421   0.00000   0.00026  -0.00022   0.00004   0.70425
   A141       0.83309   0.00000  -0.00019  -0.00032  -0.00049   0.83259
   A142       2.49589   0.00001   0.00143  -0.00072   0.00072   2.49661
   A143       2.11585   0.00001   0.00128  -0.00066   0.00062   2.11647
   A144       1.90130   0.00001  -0.00012   0.00075   0.00064   1.90194
   A145       1.61976   0.00000  -0.00144   0.00194   0.00050   1.62026
   A146       1.83271   0.00000   0.00209  -0.00181   0.00028   1.83299
   A147       1.35414  -0.00001   0.01146  -0.01301  -0.00152   1.35262
   A148       1.58514   0.00001   0.00824  -0.00861  -0.00036   1.58478
   A149       2.01514  -0.00001   0.00851  -0.00886  -0.00032   2.01481
   A150       2.18837   0.00000   0.00793  -0.00845  -0.00052   2.18785
   A151       1.43428   0.00001   0.00336  -0.00312   0.00024   1.43452
   A152       1.50236   0.00001   0.00292  -0.00324  -0.00032   1.50204
   A153       0.76589   0.00000  -0.00026  -0.00035  -0.00062   0.76527
   A154       0.76828   0.00000  -0.00100  -0.00044  -0.00144   0.76684
   A155       2.80790   0.00001   0.00101  -0.00024   0.00081   2.80871
   A156       2.42519   0.00001   0.00097  -0.00029   0.00070   2.42589
   A157       2.16079   0.00001  -0.00111   0.00162   0.00053   2.16133
   A158       1.86920   0.00000  -0.00190   0.00226   0.00038   1.86958
   A159       2.14273  -0.00001   0.00250  -0.00206   0.00045   2.14319
   A160       1.21484  -0.00001   0.01109  -0.01242  -0.00130   1.21354
   A161       1.53148   0.00001   0.00838  -0.00844  -0.00004   1.53144
   A162       1.92949  -0.00001   0.00987  -0.00999  -0.00009   1.92940
   A163       2.18571   0.00000   0.00975  -0.00989  -0.00013   2.18558
   A164       1.50515   0.00001   0.00336  -0.00289   0.00049   1.50564
   A165       1.65134   0.00000   0.00320  -0.00334  -0.00013   1.65121
   A166       2.16384   0.00001  -0.00230   0.00357   0.00127   2.16511
   A167       1.86426   0.00000  -0.00163   0.00300   0.00137   1.86564
   A168       1.48054   0.00000  -0.00229   0.00347   0.00120   1.48174
   A169       1.20097   0.00001  -0.00198   0.00307   0.00110   1.20207
   A170       1.86950  -0.00001  -0.00019   0.00154   0.00135   1.87085
   A171       1.97999  -0.00001   0.01066  -0.01264  -0.00194   1.97805
   A172       2.27937   0.00000   0.00842  -0.00893  -0.00050   2.27888
   A173       2.69477  -0.00001   0.00954  -0.01023  -0.00066   2.69411
   A174       2.11896   0.00000   0.00380  -0.00323   0.00056   2.11952
   A175       2.10859   0.00000   0.00317  -0.00271   0.00047   2.10906
   A176       2.27212   0.00001  -0.00262   0.00463   0.00201   2.27413
   A177       2.05164   0.00001  -0.00170   0.00387   0.00218   2.05382
   A178       1.64295   0.00000  -0.00219   0.00422   0.00205   1.64501
   A179       1.39052   0.00001  -0.00122   0.00313   0.00193   1.39244
   A180       2.13509   0.00000  -0.00004   0.00197   0.00194   2.13703
   A181       1.90946   0.00000   0.00794  -0.01094  -0.00294   1.90652
   A182       2.27778   0.00000   0.00662  -0.00838  -0.00172   2.27606
   A183       2.59562  -0.00001   0.00799  -0.01000  -0.00196   2.59367
   A184       2.25731   0.00001   0.00283  -0.00343  -0.00058   2.25673
   A185       2.32622   0.00001   0.00291  -0.00335  -0.00043   2.32579
   A186       0.69140   0.00000   0.00020  -0.00004   0.00015   0.69154
   A187       0.98154   0.00001   0.00051  -0.00020   0.00029   0.98183
   A188       0.70009   0.00001   0.00026   0.00011   0.00037   0.70046
   A189       2.10141  -0.00001  -0.00563   0.00651   0.00091   2.10232
   A190       1.72682  -0.00001  -0.00320   0.00307  -0.00013   1.72669
   A191       1.39574   0.00000  -0.00659   0.00638  -0.00023   1.39551
   A192       1.09272  -0.00001  -0.00611   0.00590  -0.00022   1.09250
   A193       1.62024  -0.00001   0.00226  -0.00240  -0.00015   1.62009
   A194       1.40204   0.00000   0.00216  -0.00153   0.00062   1.40266
   A195       0.66642   0.00000   0.00001   0.00026   0.00025   0.66667
   A196       2.25197  -0.00001  -0.00139   0.00203   0.00070   2.25267
   A197       1.85657   0.00000  -0.00109   0.00094  -0.00015   1.85642
   A198       1.63494   0.00000  -0.00599   0.00579  -0.00022   1.63473
   A199       1.31599  -0.00002  -0.00562   0.00526  -0.00039   1.31560
   A200       1.61143  -0.00001   0.00332  -0.00330   0.00000   1.61142
   A201       1.33943   0.00000   0.00287  -0.00223   0.00063   1.34006
   A202       0.70879   0.00000   0.00079  -0.00044   0.00035   0.70914
   A203       2.63815  -0.00001   0.00140  -0.00086   0.00067   2.63882
   A204       2.25309   0.00000   0.00007  -0.00008   0.00000   2.25309
   A205       2.04460   0.00001  -0.00583   0.00576  -0.00010   2.04451
   A206       1.72611  -0.00001  -0.00541   0.00521  -0.00024   1.72587
   A207       1.95050   0.00000   0.00410  -0.00379   0.00027   1.95077
   A208       1.66445   0.00001   0.00345  -0.00267   0.00077   1.66522
   A209       0.83558  -0.00002  -0.00062   0.00100   0.00036   0.83593
   A210       2.68481  -0.00003   0.00539  -0.00542   0.00005   2.68486
   A211       2.38566  -0.00001   0.00058  -0.00049   0.00008   2.38574
   A212       2.28922   0.00000  -0.00591   0.00598   0.00004   2.28926
   A213       1.97269  -0.00002  -0.00561   0.00548  -0.00018   1.97251
   A214       2.00996  -0.00001   0.00243  -0.00193   0.00046   2.01042
   A215       1.73013   0.00000   0.00164  -0.00086   0.00076   1.73089
   A216       1.93228  -0.00001   0.00169  -0.00146   0.00026   1.93254
   A217       1.56433   0.00001   0.00045  -0.00075  -0.00029   1.56403
   A218       1.48797   0.00001  -0.00462   0.00438  -0.00025   1.48772
   A219       1.19529  -0.00001  -0.00430   0.00377  -0.00057   1.19472
   A220       1.24218   0.00000   0.00327  -0.00334  -0.00009   1.24209
   A221       0.95713   0.00001   0.00263  -0.00221   0.00041   0.95754
   A222       0.71833   0.00000  -0.00061   0.00181   0.00116   0.71950
   A223       1.00921   0.00001   0.00024   0.00090   0.00112   1.01034
   A224       0.69782  -0.00001  -0.00008   0.00023   0.00011   0.69793
   A225       0.98443  -0.00002   0.00047  -0.00073  -0.00029   0.98414
   A226       0.65567   0.00000   0.00163  -0.00169  -0.00008   0.65559
   A227       0.66550   0.00000   0.00013  -0.00075  -0.00064   0.66486
   A228       0.70805  -0.00001   0.00068  -0.00118  -0.00055   0.70750
   A229       0.84778  -0.00001  -0.00138   0.00109  -0.00033   0.84745
   A230       0.76050  -0.00001   0.00366  -0.00441  -0.00082   0.75969
   A231       0.77513  -0.00002   0.00124  -0.00165  -0.00049   0.77463
   A232       1.59336  -0.00016  -0.00811  -0.00197  -0.01007   1.58329
   A233       1.86401   0.00000   0.00399   0.00250   0.00648   1.87050
   A234       2.19032  -0.00008  -0.00037   0.00003  -0.00036   2.18996
   A235       2.12953   0.00004  -0.00006   0.00007   0.00002   2.12955
   A236       1.96297   0.00003   0.00043  -0.00013   0.00030   1.96327
   A237       2.12554  -0.00007  -0.00083  -0.00026  -0.00107   2.12447
   A238       2.12608   0.00000   0.00027   0.00031   0.00059   2.12666
   A239       2.03131   0.00007   0.00031  -0.00002   0.00030   2.03161
   A240       1.83136  -0.00005   0.00149   0.00762   0.00910   1.84046
   A241       2.54246   0.00008  -0.00136  -0.00777  -0.00912   2.53334
   A242       1.91384   0.00001  -0.00008  -0.00001  -0.00009   1.91374
   A243       1.91662   0.00000  -0.00025  -0.00039  -0.00067   1.91595
   A244       1.91448   0.00002   0.00093  -0.00175  -0.00081   1.91367
   A245       1.91127  -0.00004  -0.00043   0.00018  -0.00024   1.91103
   A246       1.90897  -0.00003  -0.00018   0.00021   0.00003   1.90901
   A247       1.89855   0.00004   0.00002   0.00177   0.00179   1.90034
   A248       1.28186  -0.00002  -0.00145  -0.00530  -0.00675   1.27511
   A249       1.90401  -0.00001   0.00073  -0.00018   0.00053   1.90455
   A250       1.90976   0.00002   0.00000   0.00002   0.00002   1.90978
   A251       1.92824  -0.00002  -0.00061  -0.00007  -0.00068   1.92756
   A252       1.91092  -0.00001  -0.00011   0.00010  -0.00001   1.91092
   A253       1.89828   0.00001  -0.00021   0.00024   0.00003   1.89831
   A254       1.91250   0.00001   0.00021  -0.00011   0.00010   1.91260
   A255       1.71679   0.00006   0.00221  -0.00231  -0.00009   1.71670
   A256       1.76808  -0.00002  -0.00025   0.00058   0.00033   1.76841
   A257       2.19051   0.00004   0.00013  -0.00021  -0.00008   2.19044
   A258       2.13014  -0.00001  -0.00003   0.00012   0.00009   2.13023
   A259       1.96233  -0.00003  -0.00010   0.00008  -0.00001   1.96231
   A260       2.12519  -0.00001  -0.00023   0.00000  -0.00022   2.12497
   A261       2.12290   0.00002   0.00024  -0.00003   0.00021   2.12311
   A262       2.03469  -0.00001   0.00007  -0.00003   0.00003   2.03472
   A263       1.35258   0.00001  -0.00225  -0.00100  -0.00325   1.34932
   A264       1.90085   0.00002  -0.00036   0.00017  -0.00020   1.90065
   A265       1.93103   0.00000   0.00023  -0.00014   0.00009   1.93112
   A266       1.90989  -0.00001   0.00010  -0.00007   0.00003   1.90992
   A267       1.89689   0.00000   0.00032  -0.00017   0.00015   1.89704
   A268       1.91322   0.00000  -0.00007   0.00004  -0.00001   1.91321
   A269       1.91183  -0.00001  -0.00023   0.00018  -0.00005   1.91177
   A270       2.66265   0.00001   0.00231  -0.00004   0.00227   2.66493
   A271       1.70096  -0.00001  -0.00245   0.00014  -0.00230   1.69866
   A272       1.92421  -0.00001   0.00026  -0.00011   0.00015   1.92437
   A273       1.91312   0.00002  -0.00016  -0.00015  -0.00028   1.91284
   A274       1.91351   0.00000   0.00000  -0.00010  -0.00010   1.91340
   A275       1.89465  -0.00001  -0.00018   0.00012  -0.00007   1.89457
   A276       1.91079   0.00001   0.00017  -0.00001   0.00016   1.91095
   A277       1.90739  -0.00001  -0.00010   0.00025   0.00014   1.90753
   A278       1.79484   0.00008   0.00348  -0.00295   0.00052   1.79537
   A279       1.76053  -0.00006  -0.00255   0.00153  -0.00102   1.75951
   A280       2.18963   0.00004  -0.00012   0.00095   0.00082   2.19045
   A281       2.13073  -0.00002   0.00001  -0.00096  -0.00095   2.12978
   A282       1.96275  -0.00003   0.00011  -0.00001   0.00012   1.96287
   A283       2.12334   0.00000  -0.00040   0.00009  -0.00032   2.12302
   A284       2.11628   0.00002  -0.00031   0.00058   0.00027   2.11654
   A285       2.04093  -0.00002   0.00069  -0.00063   0.00007   2.04100
   A286       2.68373   0.00006   0.00689  -0.00683   0.00006   2.68379
   A287       1.67536  -0.00006  -0.00673   0.00657  -0.00016   1.67520
   A288       1.92550   0.00001   0.00042  -0.00007   0.00033   1.92582
   A289       1.91645  -0.00002  -0.00075   0.00068  -0.00009   1.91636
   A290       1.91296  -0.00002  -0.00031  -0.00006  -0.00035   1.91260
   A291       1.89013   0.00001   0.00053  -0.00075  -0.00021   1.88992
   A292       1.91271   0.00000   0.00008   0.00002   0.00010   1.91280
   A293       1.90586   0.00002   0.00004   0.00019   0.00023   1.90609
   A294       1.36898  -0.00005  -0.00892   0.00552  -0.00340   1.36558
   A295       1.14077   0.00005   0.00615  -0.00386   0.00229   1.14307
   A296       1.93075   0.00002   0.00094  -0.00055   0.00037   1.93111
   A297       1.90723  -0.00006  -0.00014   0.00016   0.00005   1.90728
   A298       1.90349   0.00004  -0.00087   0.00060  -0.00023   1.90326
   A299       1.90995   0.00003  -0.00014   0.00012  -0.00003   1.90993
   A300       1.89645  -0.00002   0.00088  -0.00061   0.00027   1.89672
   A301       1.91592  -0.00001  -0.00068   0.00028  -0.00044   1.91549
   A302       1.70970  -0.00021   0.00254  -0.01190  -0.00940   1.70030
   A303       1.76982   0.00010   0.00317   0.00257   0.00577   1.77559
   A304       2.19090  -0.00013   0.00048  -0.00021   0.00029   2.19119
   A305       2.13007   0.00004   0.00004  -0.00062  -0.00053   2.12954
   A306       1.96191   0.00009  -0.00050   0.00083   0.00026   1.96217
   A307       2.12236   0.00006   0.00059   0.00038   0.00096   2.12332
   A308       2.12389  -0.00006  -0.00093   0.00023  -0.00068   2.12321
   A309       2.03592   0.00000   0.00060  -0.00115  -0.00055   2.03538
   A310       1.30026  -0.00006   0.01445  -0.01544  -0.00115   1.29911
   A311       3.05899   0.00001  -0.01644   0.01653   0.00020   3.05919
   A312       1.91040  -0.00003  -0.00109   0.00055  -0.00053   1.90987
   A313       1.93310  -0.00001  -0.00117  -0.00073  -0.00093   1.93217
   A314       1.90046   0.00002   0.00076  -0.00144  -0.00065   1.89981
   A315       1.90948   0.00005   0.00186  -0.00039   0.00104   1.91052
   A316       1.91075   0.00001   0.00023   0.00074   0.00084   1.91160
   A317       1.89949  -0.00004  -0.00058   0.00129   0.00024   1.89973
   A318       1.74773  -0.00003  -0.01107   0.01344   0.00239   1.75012
   A319       1.91415   0.00000  -0.00027   0.00097   0.00072   1.91487
   A320       1.91662  -0.00007  -0.00154   0.00010  -0.00143   1.91519
   A321       1.92228   0.00001   0.00137  -0.00128   0.00007   1.92235
   A322       1.90699  -0.00002  -0.00093   0.00042  -0.00051   1.90647
   A323       1.90931   0.00004   0.00108  -0.00056   0.00052   1.90983
   A324       1.89429   0.00005   0.00029   0.00034   0.00064   1.89492
   A325       2.94139  -0.00003  -0.00485   0.00359  -0.00127   2.94011
   A326       3.35630   0.00002  -0.00175   0.00116  -0.00061   3.35569
   A327       3.07563   0.00001  -0.00226   0.00164  -0.00065   3.07498
   A328       3.19436  -0.00001  -0.00125  -0.00541  -0.00665   3.18771
   A329       3.26440   0.00001  -0.00249  -0.00082  -0.00331   3.26110
   A330       3.27894  -0.00002  -0.00906   0.00564  -0.00343   3.27551
   A331       3.65704   0.00001  -0.00999   0.01289   0.00291   3.65995
   A332       3.21498  -0.00001  -0.00215   0.00354   0.00141   3.21639
   A333       2.98630   0.00000   0.00832  -0.00944  -0.00110   2.98520
   A334       2.91995   0.00000   0.00916  -0.01086  -0.00169   2.91826
   A335       3.22601  -0.00002   0.00118  -0.00074   0.00044   3.22645
   A336       3.07652   0.00001   0.00172  -0.00005   0.00167   3.07819
   A337       3.09704   0.00002   0.00313  -0.00207   0.00104   3.09808
   A338       3.03938   0.00002  -0.00043   0.00135   0.00089   3.04027
    D1        2.75576  -0.00001   0.00206   0.00089   0.00296   2.75872
    D2       -1.36139  -0.00003  -0.00018   0.00079   0.00062  -1.36077
    D3        2.77812   0.00001   0.00341   0.00399   0.00740   2.78552
    D4       -1.33904  -0.00001   0.00117   0.00390   0.00507  -1.33397
    D5        1.66025  -0.00002   0.00296   0.00100   0.00397   1.66421
    D6       -2.45691  -0.00003   0.00072   0.00091   0.00163  -2.45528
    D7        1.84188  -0.00001   0.00331   0.00261   0.00592   1.84780
    D8       -2.27528  -0.00003   0.00107   0.00252   0.00358  -2.27169
    D9        0.32382  -0.00001   0.00132   0.00464   0.00596   0.32977
   D10        2.48985  -0.00002  -0.00092   0.00455   0.00362   2.49347
   D11        0.03353   0.00001   0.00469   0.00148   0.00616   0.03969
   D12        2.19956  -0.00001   0.00245   0.00138   0.00383   2.20339
   D13       -0.43686   0.00001   0.00555   0.00046   0.00600  -0.43087
   D14        1.72917   0.00000   0.00331   0.00036   0.00366   1.73283
   D15       -0.55987   0.00002   0.00737  -0.00033   0.00703  -0.55284
   D16        1.60616   0.00000   0.00513  -0.00042   0.00470   1.61086
   D17        0.20942   0.00002   0.00701  -0.00050   0.00651   0.21592
   D18        2.37545   0.00000   0.00477  -0.00059   0.00417   2.37962
   D19        0.14307   0.00002   0.00785  -0.00192   0.00592   0.14899
   D20        2.30911   0.00000   0.00561  -0.00202   0.00358   2.31269
   D21        2.40098   0.00003   0.00480   0.00325   0.00805   2.40902
   D22       -1.71618   0.00001   0.00256   0.00315   0.00571  -1.71046
   D23        2.15579   0.00003   0.00519   0.00367   0.00886   2.16464
   D24       -1.96137   0.00001   0.00295   0.00358   0.00652  -1.95485
   D25        1.71573   0.00003   0.00424   0.00404   0.00830   1.72402
   D26       -2.40143   0.00001   0.00200   0.00394   0.00596  -2.39547
   D27        1.40952   0.00003   0.00372   0.00433   0.00808   1.41760
   D28       -2.70763   0.00001   0.00148   0.00424   0.00575  -2.70189
   D29        2.36226   0.00003   0.00717   0.00350   0.01066   2.37292
   D30       -1.75489   0.00001   0.00493   0.00340   0.00832  -1.74657
   D31       -1.77247   0.00002  -0.00270   0.01128   0.00859  -1.76389
   D32        0.39356   0.00001  -0.00494   0.01119   0.00625   0.39981
   D33       -2.11569   0.00001   0.00060   0.00676   0.00737  -2.10833
   D34        0.05034  -0.00001  -0.00164   0.00666   0.00503   0.05537
   D35       -2.49065   0.00003  -0.00223   0.00968   0.00742  -2.48323
   D36       -0.32462   0.00001  -0.00447   0.00958   0.00509  -0.31953
   D37       -2.77688   0.00001  -0.00131   0.00894   0.00761  -2.76927
   D38       -0.61085   0.00000  -0.00355   0.00884   0.00527  -0.60558
   D39       -2.13573   0.00000   0.00758  -0.00076   0.00684  -2.12889
   D40        0.03031  -0.00001   0.00534  -0.00086   0.00450   0.03481
   D41       -2.38738   0.00001   0.01012  -0.00168   0.00847  -2.37890
   D42       -0.22134  -0.00001   0.00788  -0.00178   0.00614  -0.21521
   D43        1.26307  -0.00003  -0.00247  -0.00463  -0.00711   1.25596
   D44       -1.91556  -0.00003  -0.00489  -0.00139  -0.00629  -1.92184
   D45        2.45747   0.00001  -0.00067  -0.00378  -0.00446   2.45301
   D46       -0.72116   0.00000  -0.00309  -0.00054  -0.00364  -0.72480
   D47        2.94398   0.00000  -0.00033  -0.00263  -0.00297   2.94102
   D48       -0.23464   0.00000  -0.00275   0.00061  -0.00214  -0.23679
   D49        2.86763  -0.00003  -0.00412  -0.00009  -0.00420   2.86344
   D50       -0.31099  -0.00004  -0.00653   0.00315  -0.00337  -0.31437
   D51        2.05399  -0.00001  -0.00067  -0.00160  -0.00230   2.05169
   D52       -1.12464  -0.00002  -0.00309   0.00164  -0.00147  -1.12611
   D53        1.16151   0.00002   0.00506  -0.00609  -0.00100   1.16051
   D54       -2.01711   0.00001   0.00264  -0.00285  -0.00018  -2.01729
   D55        1.01695   0.00002   0.00601  -0.00728  -0.00124   1.01571
   D56       -2.16168   0.00001   0.00360  -0.00404  -0.00041  -2.16209
   D57        2.02220   0.00000   0.00226  -0.00525  -0.00301   2.01919
   D58       -1.15643  -0.00001  -0.00016  -0.00201  -0.00218  -1.15861
   D59        1.82767   0.00000   0.00260  -0.00654  -0.00395   1.82372
   D60       -1.35096  -0.00001   0.00018  -0.00330  -0.00312  -1.35408
   D61       -2.27471   0.00002   0.00113  -0.00266  -0.00154  -2.27625
   D62        0.82985   0.00001  -0.00129   0.00058  -0.00071   0.82914
   D63       -2.41174   0.00001   0.00111  -0.00304  -0.00193  -2.41367
   D64        0.69282   0.00000  -0.00131   0.00020  -0.00111   0.69171
   D65       -2.81356   0.00000   0.00072  -0.00290  -0.00217  -2.81573
   D66        0.29100  -0.00001  -0.00170   0.00035  -0.00135   0.28966
   D67       -2.99368   0.00001   0.00167  -0.00405  -0.00236  -2.99604
   D68        0.11088   0.00000  -0.00075  -0.00080  -0.00154   0.10934
   D69       -2.13755  -0.00001   0.00148  -0.00359  -0.00211  -2.13966
   D70        0.96701  -0.00001  -0.00094  -0.00035  -0.00129   0.96572
   D71       -0.16637   0.00000   0.00046  -0.00184  -0.00137  -0.16774
   D72        2.93819  -0.00001  -0.00196   0.00140  -0.00054   2.93764
   D73       -0.56013   0.00000   0.00070  -0.00292  -0.00221  -0.56234
   D74        2.54443   0.00000  -0.00171   0.00032  -0.00138   2.54305
   D75       -0.73176   0.00000  -0.00534   0.00329  -0.00204  -0.73380
   D76        2.37280   0.00000  -0.00776   0.00653  -0.00122   2.37158
   D77       -1.07012  -0.00001  -0.00544   0.00334  -0.00212  -1.07224
   D78        2.03444  -0.00002  -0.00786   0.00659  -0.00129   2.03314
   D79       -0.84168   0.00000   0.00546  -0.00769  -0.00225  -0.84393
   D80        2.26288  -0.00001   0.00304  -0.00445  -0.00143   2.26145
   D81       -1.14791   0.00001   0.00505  -0.00681  -0.00177  -1.14968
   D82        1.95665   0.00000   0.00263  -0.00357  -0.00095   1.95570
   D83       -1.53520  -0.00003  -0.00013  -0.00234  -0.00246  -1.53766
   D84       -2.61118   0.00002   0.00068  -0.00137  -0.00068  -2.61187
   D85       -2.95026   0.00003   0.00145   0.00101   0.00247  -2.94780
   D86        0.73618  -0.00001  -0.00108   0.00095  -0.00012   0.73606
   D87        0.31203   0.00000  -0.00022   0.00031   0.00009   0.31212
   D88       -0.06097   0.00000  -0.00137   0.00166   0.00027  -0.06070
   D89       -0.40029   0.00001   0.00070   0.00002   0.00072  -0.39957
   D90        0.18101   0.00001   0.00208  -0.00192   0.00015   0.18116
   D91       -0.05658   0.00000   0.00212  -0.00256  -0.00046  -0.05704
   D92        2.40399   0.00002   0.00064   0.00107   0.00171   2.40570
   D93        2.05411   0.00001   0.00099   0.00068   0.00167   2.05578
   D94        1.66163   0.00001   0.00104   0.00074   0.00180   1.66343
   D95        1.37347   0.00001   0.00133   0.00023   0.00160   1.37507
   D96        2.05522  -0.00001   0.00111   0.00026   0.00138   2.05660
   D97       -1.91777   0.00001  -0.00404   0.00779   0.00371  -1.91406
   D98       -2.44271   0.00001   0.00160   0.00080   0.00244  -2.44028
   D99       -2.65911   0.00001  -0.00387   0.00559   0.00173  -2.65738
   D100      -2.98622  -0.00001  -0.00329   0.00458   0.00127  -2.98495
   D101      -2.90405   0.00000   0.01237  -0.00896   0.00340  -2.90065
   D102       2.84964   0.00001   0.00876  -0.00572   0.00299   2.85263
   D103      -2.91410   0.00002   0.00935  -0.00834   0.00101  -2.91308
   D104       1.18405   0.00002   0.00870  -0.00785   0.00085   1.18490
   D105       2.79841  -0.00001   0.00883  -0.00868   0.00015   2.79856
   D106       0.61338  -0.00001   0.00818  -0.00819  -0.00002   0.61336
   D107       2.29986   0.00004   0.01036  -0.00943   0.00091   2.30077
   D108       0.11482   0.00003   0.00970  -0.00894   0.00075   0.11557
   D109       1.74462   0.00003   0.00930  -0.00839   0.00091   1.74553
   D110      -0.44042   0.00003   0.00865  -0.00790   0.00074  -0.43968
   D111       2.58137   0.00001   0.00800  -0.00717   0.00083   2.58220
   D112       0.39633   0.00001   0.00735  -0.00668   0.00066   0.39700
   D113       2.24495   0.00001   0.00763  -0.00752   0.00011   2.24506
   D114       0.05991   0.00001   0.00698  -0.00703  -0.00006   0.05985
   D115      -1.61303  -0.00002   0.00092  -0.00071   0.00020  -1.61283
   D116       2.48512  -0.00002   0.00026  -0.00022   0.00004   2.48515
   D117      -1.77390  -0.00001   0.00023  -0.00090  -0.00068  -1.77458
   D118       2.32425  -0.00001  -0.00043  -0.00041  -0.00084   2.32341
   D119      -2.73558  -0.00002   0.00042  -0.00029   0.00013  -2.73544
   D120       1.36257  -0.00002  -0.00024   0.00021  -0.00003   1.36254
   D121      -2.70054  -0.00001   0.00149  -0.00040   0.00109  -2.69945
   D122       1.39761  -0.00001   0.00083   0.00009   0.00092   1.39853
   D123       1.31973  -0.00001   0.00523  -0.00593  -0.00070   1.31904
   D124      -0.86530  -0.00001   0.00457  -0.00543  -0.00086  -0.86616
   D125       1.28950   0.00000   0.00493  -0.00597  -0.00104   1.28846
   D126      -0.89554   0.00000   0.00427  -0.00547  -0.00120  -0.89674
   D127       1.64440   0.00001   0.00504  -0.00619  -0.00116   1.64323
   D128      -0.54064   0.00001   0.00438  -0.00570  -0.00133  -0.54197
   D129       1.77353  -0.00001   0.00274  -0.00417  -0.00145   1.77208
   D130      -0.41151  -0.00001   0.00208  -0.00368  -0.00161  -0.41312
   D131       0.88963   0.00001   0.00442  -0.00571  -0.00129   0.88834
   D132      -1.29541   0.00001   0.00377  -0.00522  -0.00145  -1.29686
   D133      -0.95611   0.00001   0.00482  -0.00688  -0.00204  -0.95815
   D134      -3.14115   0.00001   0.00416  -0.00639  -0.00220   3.13983
   D135      -0.53037   0.00000   0.00610  -0.00732  -0.00122  -0.53159
   D136      -2.71540   0.00000   0.00544  -0.00683  -0.00138  -2.71679
   D137      -0.23025  -0.00002   0.01316  -0.01460  -0.00144  -0.23170
   D138      -2.41529  -0.00002   0.01250  -0.01411  -0.00161  -2.41690
   D139       0.17586  -0.00001   0.01263  -0.01375  -0.00110   0.17476
   D140      -2.00917  -0.00001   0.01197  -0.01326  -0.00127  -2.01044
   D141      -0.31459   0.00000   0.00203  -0.00295  -0.00090  -0.31549
   D142      -2.49963   0.00000   0.00137  -0.00246  -0.00107  -2.50069
   D143      -0.05835   0.00000   0.00241  -0.00390  -0.00149  -0.05984
   D144      -2.24339   0.00000   0.00175  -0.00341  -0.00166  -2.24504
   D145      -2.48055   0.00002   0.00599  -0.00290   0.00309  -2.47746
   D146      -2.73069  -0.00001   0.00495  -0.00349   0.00146  -2.72923
   D147      -2.41089  -0.00002   0.00071  -0.00181  -0.00115  -2.41204
   D148       2.99566   0.00001   0.00710  -0.00556   0.00156   2.99722
   D149       2.61100   0.00001   0.00903  -0.00741   0.00166   2.61266
   D150       1.51565  -0.00002   0.00158   0.00016   0.00174   1.51739
   D151       2.61658  -0.00001   0.00168   0.00010   0.00177   2.61836
   D152       2.98982   0.00001   0.00247   0.00004   0.00252   2.99235
   D153       1.17396   0.00000   0.00821  -0.00822  -0.00003   1.17392
   D154       1.23819   0.00000   0.00602  -0.00587   0.00014   1.23833
   D155       1.62941   0.00001   0.00564  -0.00518   0.00044   1.62985
   D156       1.71026  -0.00001   0.00284  -0.00234   0.00049   1.71074
   D157       0.89013   0.00001   0.00436  -0.00434   0.00000   0.89013
   D158      -1.00208   0.00002   0.00043  -0.00036   0.00009  -1.00199
   D159      -0.67781   0.00000   0.00162  -0.00124   0.00040  -0.67741
   D160      -0.71344   0.00000   0.00620  -0.00596   0.00025  -0.71319
   D161      -0.40174   0.00002   0.00768  -0.00714   0.00055  -0.40119
   D162      -0.29725   0.00001   0.00024  -0.00017   0.00009  -0.29716
   D163      -0.01704   0.00000   0.00099  -0.00123  -0.00023  -0.01727
   D164      -1.29124   0.00000   0.00463  -0.00612  -0.00149  -1.29273
   D165       1.65982   0.00000   0.00470  -0.00508  -0.00038   1.65944
   D166      -1.66165  -0.00001   0.00347  -0.00580  -0.00233  -1.66399
   D167       1.28941  -0.00001   0.00354  -0.00476  -0.00122   1.28818
   D168      -1.74044   0.00001   0.00238  -0.00550  -0.00313  -1.74357
   D169       1.21062   0.00001   0.00244  -0.00446  -0.00202   1.20860
   D170      -2.00033   0.00003   0.00344  -0.00300   0.00045  -1.99988
   D171       0.95073   0.00003   0.00351  -0.00196   0.00156   0.95229
   D172      -2.01161   0.00000   0.00417  -0.00626  -0.00211  -2.01372
   D173       0.93945   0.00000   0.00423  -0.00522  -0.00100   0.93845
   D174      -2.31434   0.00000   0.00400  -0.00624  -0.00224  -2.31658
   D175       0.63672   0.00000   0.00407  -0.00520  -0.00113   0.63559
   D176       1.97840  -0.00003  -0.00171  -0.00055  -0.00226   1.97614
   D177      -1.35373  -0.00003  -0.00164   0.00049  -0.00115  -1.35488
   D178       0.83116  -0.00001  -0.00115  -0.00100  -0.00216   0.82900
   D179      -2.50097  -0.00001  -0.00109   0.00004  -0.00105  -2.50202
   D180       0.36722   0.00000  -0.00153  -0.00118  -0.00271   0.36451
   D181      -2.96490   0.00000  -0.00146  -0.00013  -0.00160  -2.96651
   D182      -3.11384   0.00000   0.00330  -0.00560  -0.00230  -3.11614
   D183      -0.16278   0.00000   0.00337  -0.00456  -0.00119  -0.16397
   D184       2.90358   0.00000   0.00270  -0.00551  -0.00281   2.90077
   D185      -0.42855   0.00000   0.00277  -0.00446  -0.00170  -0.43025
   D186       3.05780   0.00001   0.00192  -0.00479  -0.00287   3.05493
   D187      -0.27433   0.00001   0.00199  -0.00375  -0.00176  -0.27609
   D188       2.96932  -0.00001  -0.00104  -0.00198  -0.00303   2.96629
   D189      -0.36280  -0.00001  -0.00097  -0.00094  -0.00192  -0.36472
   D190       2.45798   0.00000   0.00240  -0.00567  -0.00328   2.45470
   D191      -0.87415   0.00000   0.00247  -0.00463  -0.00217  -0.87632
   D192       0.32044   0.00002  -0.00656   0.00318  -0.00332   0.31712
   D193      -3.01168   0.00002  -0.00649   0.00423  -0.00221  -3.01389
   D194       0.62935   0.00000  -0.00270  -0.00123  -0.00390   0.62545
   D195      -2.70278   0.00000  -0.00263  -0.00019  -0.00279  -2.70557
   D196       0.42900   0.00001   0.00223  -0.00722  -0.00504   0.42396
   D197      -2.90313   0.00001   0.00230  -0.00617  -0.00393  -2.90706
   D198       1.09635   0.00001  -0.00208  -0.00197  -0.00403   1.09232
   D199      -2.23577   0.00001  -0.00202  -0.00093  -0.00292  -2.23869
   D200       1.43162   0.00000  -0.00056  -0.00389  -0.00445   1.42717
   D201      -1.90050   0.00000  -0.00049  -0.00285  -0.00334  -1.90385
   D202       1.60764  -0.00003  -0.00040  -0.00296  -0.00337   1.60428
   D203      -0.60474  -0.00002  -0.00074  -0.00135  -0.00209  -0.60683
   D204       1.67861   0.00000   0.00086  -0.00215  -0.00130   1.67731
   D205      -0.53377   0.00001   0.00052  -0.00054  -0.00003  -0.53380
   D206       1.35937   0.00001   0.00174  -0.00145   0.00028   1.35964
   D207      -0.85301   0.00002   0.00140   0.00016   0.00155  -0.85146
   D208       1.19607   0.00002   0.00203  -0.00374  -0.00172   1.19436
   D209      -1.01631   0.00003   0.00169  -0.00214  -0.00044  -1.01675
   D210       2.11011   0.00000   0.00074  -0.00134  -0.00061   2.10950
   D211      -0.10227   0.00001   0.00041   0.00027   0.00066  -0.10161
   D212       2.22760   0.00001   0.00048  -0.00141  -0.00094   2.22666
   D213       0.01522   0.00002   0.00014   0.00020   0.00033   0.01555
   D214      -2.23402   0.00001   0.00074  -0.00234  -0.00160  -2.23562
   D215       1.83678   0.00002   0.00041  -0.00073  -0.00033   1.83646
   D216      -2.39820   0.00000  -0.00125  -0.00014  -0.00140  -2.39960
   D217       1.67260   0.00001  -0.00158   0.00146  -0.00012   1.67248
   D218      -2.00644  -0.00001  -0.00358   0.00317  -0.00040  -2.00684
   D219       2.06437   0.00000  -0.00392   0.00478   0.00087   2.06524
   D220      -2.11010   0.00000  -0.01193   0.01061  -0.00127  -2.11137
   D221       1.96071   0.00001  -0.01226   0.01222   0.00000   1.96071
   D222      -2.89212  -0.00001  -0.00100  -0.00077  -0.00179  -2.89391
   D223       1.17868   0.00000  -0.00133   0.00083  -0.00052   1.17817
   D224       3.05508  -0.00002  -0.00094  -0.00110  -0.00208   3.05300
   D225       0.84270  -0.00001  -0.00128   0.00050  -0.00080   0.84189
   D226      -2.71736  -0.00002   0.00110  -0.00199  -0.00090  -2.71826
   D227       1.35344  -0.00001   0.00076  -0.00038   0.00038   1.35382
   D228      -2.66740   0.00000   0.00364  -0.00455  -0.00091  -2.66831
   D229       1.40341   0.00002   0.00330  -0.00295   0.00036   1.40377
   D230      -1.57320  -0.00003   0.00212  -0.00282  -0.00070  -1.57389
   D231       2.49761  -0.00002   0.00178  -0.00121   0.00058   2.49819
   D232      -0.06247  -0.00003   0.01198  -0.01318  -0.00114  -0.06361
   D233      -2.27485  -0.00002   0.01165  -0.01157   0.00014  -2.27472
   D234      -0.20058   0.00000   0.00691  -0.00778  -0.00086  -0.20144
   D235      -2.41296   0.00001   0.00658  -0.00617   0.00041  -2.41255
   D236       0.07723  -0.00002   0.00270  -0.00363  -0.00091   0.07632
   D237      -2.13515   0.00000   0.00237  -0.00202   0.00036  -2.13478
   D238      -0.02843  -0.00003   0.00216  -0.00367  -0.00154  -0.02996
   D239      -2.24081  -0.00002   0.00183  -0.00206  -0.00026  -2.24107
   D240      -0.59711  -0.00001   0.00483  -0.00513  -0.00032  -0.59742
   D241      -2.80949   0.00000   0.00450  -0.00352   0.00096  -2.80853
   D242      -0.78405   0.00000   0.00388  -0.00441  -0.00053  -0.78458
   D243      -2.99643   0.00001   0.00354  -0.00280   0.00074  -2.99569
   D244      -2.93056  -0.00002  -0.00344   0.00182  -0.00162  -2.93218
   D245      -0.01015  -0.00002  -0.00255   0.00088  -0.00168  -0.01183
   D246      -3.12028  -0.00001  -0.00281   0.00296   0.00015  -3.12013
   D247      -0.19987   0.00000  -0.00193   0.00201   0.00009  -0.19978
   D248       2.77950   0.00001  -0.00248   0.00353   0.00105   2.78055
   D249      -0.58328   0.00002  -0.00159   0.00258   0.00099  -0.58229
   D250       2.54340   0.00002  -0.00231   0.00274   0.00044   2.54384
   D251      -0.81937   0.00003  -0.00143   0.00179   0.00038  -0.81899
   D252      -2.89123   0.00001  -0.00252   0.00400   0.00148  -2.88975
   D253       0.02918   0.00001  -0.00163   0.00305   0.00142   0.03060
   D254      -3.06472   0.00001  -0.00234   0.00322   0.00089  -3.06383
   D255      -0.14431   0.00002  -0.00145   0.00227   0.00084  -0.14347
   D256      -0.65088   0.00001  -0.00437   0.00389  -0.00048  -0.65136
   D257       2.26953   0.00002  -0.00349   0.00295  -0.00054   2.26899
   D258      -0.89648   0.00000  -0.00567   0.00559  -0.00009  -0.89657
   D259       2.02393   0.00001  -0.00479   0.00464  -0.00015   2.02378
   D260      -0.73100  -0.00001  -0.00719   0.00764   0.00045  -0.73054
   D261       2.18942  -0.00001  -0.00631   0.00670   0.00039   2.18981
   D262      -0.93222  -0.00001  -0.00900   0.00895  -0.00006  -0.93228
   D263       1.98819   0.00000  -0.00812   0.00801  -0.00012   1.98807
   D264      -1.30437   0.00000  -0.00583   0.00576  -0.00007  -1.30445
   D265       1.61604   0.00000  -0.00494   0.00481  -0.00013   1.61591
   D266      -1.54288  -0.00001  -0.00613   0.00645   0.00030  -1.54258
   D267       1.37754  -0.00001  -0.00525   0.00550   0.00024   1.37778
   D268       1.98250  -0.00001  -0.00383   0.00435   0.00052   1.98303
   D269      -1.38027   0.00000  -0.00294   0.00341   0.00046  -1.37981
   D270       0.86021  -0.00002  -0.00353   0.00379   0.00026   0.86047
   D271      -2.50256  -0.00002  -0.00264   0.00284   0.00020  -2.50236
   D272       0.99224  -0.00002   0.01849  -0.01966  -0.00121   0.99103
   D273      -2.37053  -0.00002   0.01937  -0.02060  -0.00127  -2.37180
   D274       1.14269   0.00001   0.00453  -0.00398   0.00056   1.14325
   D275      -2.22008   0.00002   0.00541  -0.00493   0.00050  -2.21958
   D276       1.59666  -0.00001  -0.00036   0.00085   0.00055   1.59721
   D277      -1.76611   0.00000   0.00053  -0.00009   0.00049  -1.76562
   D278       1.57855  -0.00002  -0.00118   0.00122   0.00003   1.57858
   D279      -1.78422  -0.00001  -0.00030   0.00028  -0.00003  -1.78425
   D280       0.82180   0.00000  -0.00207   0.00315   0.00107   0.82287
   D281      -2.54098   0.00001  -0.00118   0.00220   0.00101  -2.53996
   D282       0.79940   0.00000  -0.00294   0.00336   0.00043   0.79983
   D283      -2.56337   0.00001  -0.00205   0.00242   0.00037  -2.56300
   D284       1.57513  -0.00001   0.00113  -0.00313  -0.00198   1.57314
   D285      -2.64372  -0.00002   0.00295  -0.00443  -0.00146  -2.64518
   D286       1.63567   0.00001   0.00362  -0.00222   0.00140   1.63707
   D287      -2.58318   0.00001   0.00544  -0.00353   0.00192  -2.58126
   D288       1.32603   0.00002   0.00421  -0.00120   0.00300   1.32904
   D289      -2.89281   0.00001   0.00603  -0.00251   0.00353  -2.88929
   D290       1.23814   0.00002   0.00428  -0.00323   0.00105   1.23919
   D291      -2.98071   0.00001   0.00610  -0.00453   0.00157  -2.97913
   D292       2.03220   0.00001   0.00440  -0.00184   0.00255   2.03476
   D293      -2.18664   0.00001   0.00621  -0.00314   0.00307  -2.18357
   D294       2.01394   0.00002   0.00444  -0.00238   0.00206   2.01600
   D295      -2.20490   0.00001   0.00626  -0.00368   0.00258  -2.20232
   D296      -2.30670   0.00003   0.00377  -0.00221   0.00155  -2.30515
   D297      -0.24236   0.00002   0.00558  -0.00351   0.00207  -0.24029
   D298      -2.27931   0.00001   0.00224  -0.00019   0.00205  -2.27727
   D299      -0.21497   0.00001   0.00406  -0.00149   0.00257  -0.21240
   D300      -1.89043   0.00000   0.00184   0.00061   0.00245  -1.88798
   D301       0.17391   0.00000   0.00366  -0.00069   0.00297   0.17688
   D302      -1.82639   0.00000   0.00031   0.00195   0.00226  -1.82412
   D303       0.23796   0.00000   0.00213   0.00065   0.00278   0.24074
   D304      -2.62362   0.00001   0.00125   0.00104   0.00229  -2.62133
   D305      -0.55928   0.00000   0.00306  -0.00026   0.00281  -0.55647
   D306      -2.74780   0.00000   0.00079   0.00247   0.00325  -2.74455
   D307      -0.68346   0.00000   0.00261   0.00117   0.00377  -0.67969
   D308       1.51578  -0.00001   0.00481  -0.00277   0.00204   1.51783
   D309      -2.70306  -0.00002   0.00662  -0.00407   0.00256  -2.70050
   D310       2.61701  -0.00001   0.00437  -0.00258   0.00177   2.61878
   D311      -1.60184  -0.00002   0.00618  -0.00388   0.00229  -1.59955
   D312       2.99696   0.00001   0.00618  -0.00431   0.00186   2.99882
   D313      -1.22188   0.00000   0.00800  -0.00561   0.00238  -1.21951
   D314      -0.45664  -0.00001   0.01547  -0.01453   0.00095  -0.45569
   D315       1.60770  -0.00002   0.01728  -0.01583   0.00147   1.60917
   D316      -0.30652   0.00001   0.01050  -0.00850   0.00200  -0.30452
   D317       1.75782   0.00001   0.01231  -0.00980   0.00252   1.76034
   D318       0.11857   0.00000   0.00953  -0.00750   0.00206   0.12063
   D319       2.18291  -0.00001   0.01135  -0.00880   0.00258   2.18549
   D320       0.24929   0.00000   0.00949  -0.00770   0.00177   0.25106
   D321       2.31363  -0.00001   0.01131  -0.00900   0.00229   2.31592
   D322      -0.56229   0.00001   0.00590  -0.00331   0.00258  -0.55971
   D323       1.50206   0.00001   0.00771  -0.00462   0.00310   1.50515
   D324      -0.59867   0.00002   0.00524  -0.00324   0.00200  -0.59666
   D325       1.46567   0.00001   0.00706  -0.00454   0.00252   1.46820
   D326       0.06495   0.00002  -0.01022   0.01627   0.00611   0.07106
   D327       2.24800   0.00002  -0.00829   0.01231   0.00408   2.25208
   D328       0.37289   0.00001  -0.00953   0.01419   0.00470   0.37759
   D329       2.55594   0.00001  -0.00760   0.01023   0.00267   2.55861
   D330       0.73677  -0.00002  -0.01068   0.01532   0.00464   0.74141
   D331       2.91982  -0.00002  -0.00874   0.01136   0.00261   2.92243
   D332       1.01602  -0.00003  -0.01134   0.01541   0.00404   1.02006
   D333      -3.08411  -0.00003  -0.00941   0.01146   0.00201  -3.08210
   D334       0.31557  -0.00001  -0.00748   0.00984   0.00243   0.31800
   D335       2.49862  -0.00001  -0.00555   0.00588   0.00040   2.49902
   D336       0.70416  -0.00001  -0.01104   0.01407   0.00300   0.70716
   D337       2.88722  -0.00001  -0.00911   0.01011   0.00097   2.88819
   D338      -2.35110  -0.00001  -0.00819   0.01436   0.00617  -2.34494
   D339      -0.16805  -0.00001  -0.00625   0.01041   0.00414  -0.16391
   D340      -1.97274  -0.00001  -0.00672   0.01250   0.00573  -1.96700
   D341       0.21032  -0.00001  -0.00478   0.00854   0.00370   0.21402
   D342      -1.92917   0.00001  -0.00710   0.01213   0.00500  -1.92418
   D343       0.25388   0.00001  -0.00517   0.00817   0.00297   0.25685
   D344      -1.63377   0.00001  -0.00809   0.01354   0.00539  -1.62837
   D345       0.54929   0.00001  -0.00615   0.00958   0.00336   0.55265
   D346      -1.59917  -0.00001  -0.00454   0.01047   0.00584  -1.59334
   D347       0.58388  -0.00001  -0.00260   0.00651   0.00381   0.58769
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   D349       0.88444   0.00000  -0.00189   0.00541   0.00344   0.88788
   D350       1.82351   0.00000  -0.01446   0.01929   0.00477   1.82828
   D351      -2.27662   0.00000  -0.01253   0.01534   0.00274  -2.27388
   D352       2.25387   0.00001  -0.01779   0.02310   0.00527   2.25914
   D353      -1.84626   0.00001  -0.01586   0.01914   0.00324  -1.84302
   D354       2.48990   0.00001  -0.02847   0.03465   0.00622   2.49612
   D355      -1.61023   0.00001  -0.02654   0.03069   0.00419  -1.60604
   D356       3.12403   0.00000  -0.02428   0.03129   0.00721   3.13124
   D357      -0.97610   0.00000  -0.02234   0.02733   0.00518  -0.97092
   D358       2.58163   0.00001  -0.01306   0.01831   0.00525   2.58688
   D359      -1.51850   0.00001  -0.01113   0.01435   0.00322  -1.51528
   D360       1.61361  -0.00002  -0.00033   0.00504   0.00472   1.61833
   D361      -2.48652  -0.00002   0.00161   0.00108   0.00269  -2.48383
   D362       1.78779   0.00001  -0.00409   0.00923   0.00521   1.79301
   D363      -2.31234   0.00001  -0.00216   0.00527   0.00319  -2.30915
   D364       2.73760  -0.00002   0.00136   0.00146   0.00281   2.74041
   D365      -1.36253  -0.00002   0.00330  -0.00250   0.00078  -1.36175
   D366       2.72102  -0.00001  -0.00279   0.00708   0.00428   2.72530
   D367      -1.37912  -0.00001  -0.00086   0.00312   0.00225  -1.37686
   D368       0.04963   0.00001  -0.00645   0.00642  -0.00001   0.04963
   D369      -2.49845   0.00001  -0.05527   0.05400  -0.00126  -2.49971
   D370       0.44869   0.00002  -0.00593   0.00611   0.00021   0.44890
   D371      -2.09939   0.00002  -0.05474   0.05369  -0.00104  -2.10043
   D372       0.65984   0.00000  -0.00748   0.00834   0.00089   0.66074
   D373      -1.88824  -0.00001  -0.05629   0.05592  -0.00036  -1.88860
   D374       0.93197  -0.00002  -0.00809   0.00710  -0.00095   0.93101
   D375      -1.61612  -0.00002  -0.05691   0.05468  -0.00220  -1.61832
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   D377      -1.85601   0.00000  -0.05320   0.05118  -0.00200  -1.85801
   D378       1.03151   0.00000  -0.00492   0.00465  -0.00025   1.03126
   D379      -1.51657   0.00000  -0.05374   0.05223  -0.00151  -1.51807
   D380      -2.76971   0.00003  -0.00889   0.01013   0.00127  -2.76844
   D381       0.96539   0.00003  -0.05770   0.05771   0.00002   0.96541
   D382      -2.21319   0.00001  -0.00733   0.00889   0.00164  -2.21155
   D383       1.52191   0.00001  -0.05615   0.05646   0.00039   1.52230
   D384      -1.97654   0.00001  -0.00260   0.00333   0.00076  -1.97578
   D385       1.75856   0.00001  -0.05141   0.05090  -0.00049   1.75807
   D386      -1.64634   0.00001  -0.00069   0.00163   0.00096  -1.64538
   D387       2.08876   0.00000  -0.04951   0.04921  -0.00029   2.08847
   D388      -1.69206   0.00000  -0.00365   0.00629   0.00271  -1.68935
   D389       2.04304  -0.00001  -0.05246   0.05387   0.00146   2.04450
   D390      -1.11470   0.00001   0.00589  -0.00508   0.00070  -1.11400
   D391       2.62040   0.00000  -0.04292   0.04250  -0.00055   2.61985
   D392       1.78467   0.00000  -0.00357   0.00373   0.00018   1.78485
   D393      -0.76341   0.00000  -0.05239   0.05131  -0.00107  -0.76448
   D394       2.08483   0.00000  -0.00399   0.00429   0.00031   2.08514
   D395      -0.46325   0.00000  -0.05280   0.05187  -0.00095  -0.46420
   D396       2.03083   0.00000  -0.00537   0.00560   0.00022   2.03105
   D397      -0.51725   0.00000  -0.05418   0.05318  -0.00103  -0.51828
   D398       2.22577   0.00002  -0.00478   0.00510   0.00029   2.22606
   D399      -0.32231   0.00002  -0.05359   0.05268  -0.00097  -0.32328
   D400       2.48498   0.00001  -0.00301   0.00359   0.00058   2.48556
   D401      -0.06310   0.00001  -0.05182   0.05117  -0.00067  -0.06377
   D402      -1.54044  -0.00002   0.00800  -0.00777   0.00023  -1.54022
   D403       2.19466  -0.00002  -0.04081   0.03981  -0.00103   2.19363
   D404      -2.64000  -0.00001   0.00816  -0.00765   0.00052  -2.63949
   D405       1.09510  -0.00001  -0.04066   0.03993  -0.00074   1.09436
   D406      -2.99918   0.00000   0.00526  -0.00400   0.00125  -2.99793
   D407       0.73592   0.00000  -0.04355   0.04357   0.00000   0.73592
   D408       1.91734   0.00003  -0.01220   0.01322   0.00099   1.91833
   D409       2.41211   0.00003  -0.01407   0.01411   0.00003   2.41214
   D410       2.64103   0.00000  -0.01199   0.01282   0.00083   2.64185
   D411       2.87366  -0.00001  -0.01162   0.01039  -0.00123   2.87243
   D412       2.83859   0.00001  -0.01991   0.01792  -0.00197   2.83662
   D413      -2.95174   0.00001  -0.01632   0.01521  -0.00105  -2.95279
   D414      -0.75485   0.00002  -0.00799   0.00898   0.00098  -0.75387
   D415      -0.37335   0.00001  -0.00811   0.00925   0.00112  -0.37223
   D416      -0.06463   0.00001  -0.00827   0.00895   0.00067  -0.06396
   D417       0.24440   0.00001  -0.00822   0.00899   0.00074   0.24514
   D418      -0.23676   0.00000  -0.00765   0.00954   0.00186  -0.23490
   D419       0.07452   0.00001  -0.00583   0.00873   0.00286   0.07738
   D420      -2.56333   0.00000  -0.00905   0.00898  -0.00006  -2.56339
   D421      -2.18015   0.00000  -0.00902   0.00906   0.00005  -2.18010
   D422      -1.93788   0.00000  -0.00935   0.00924  -0.00011  -1.93799
   D423      -1.62547   0.00000  -0.00791   0.00799   0.00006  -1.62541
   D424      -1.96430   0.00002  -0.00834   0.00878   0.00044  -1.96386
   D425       1.33141  -0.00002   0.00560  -0.00760  -0.00198   1.32943
   D426       2.48105  -0.00001   0.00407  -0.00372   0.00037   2.48142
   D427       2.95328   0.00003   0.00160  -0.00063   0.00106   2.95434
   D428      -3.08451   0.00015   0.00976   0.00030   0.01006  -3.07445
   D429       0.03206   0.00010   0.00008   0.00208   0.00216   0.03422
   D430       0.02848   0.00003   0.00943  -0.00104   0.00840   0.03688
   D431      -3.13813  -0.00002  -0.00025   0.00075   0.00050  -3.13764
   D432      -0.07254  -0.00001  -0.00865  -0.00565  -0.01430  -0.08684
   D433       2.02833  -0.00005  -0.00939  -0.00568  -0.01507   2.01326
   D434      -2.16925   0.00001  -0.00895  -0.00482  -0.01378  -2.18303
   D435       3.09279   0.00004   0.00053  -0.00735  -0.00681   3.08597
   D436      -1.08953  -0.00001  -0.00021  -0.00738  -0.00758  -1.09711
   D437       0.99608   0.00006   0.00023  -0.00652  -0.00629   0.98979
   D438      -2.38021   0.00004   0.00745  -0.00571   0.00175  -2.37847
   D439      -0.29002   0.00003   0.00776  -0.00569   0.00207  -0.28795
   D440       1.81708   0.00004   0.00763  -0.00585   0.00178   1.81886
   D441       0.73763  -0.00001  -0.00176  -0.00401  -0.00577   0.73186
   D442       2.82783  -0.00002  -0.00145  -0.00399  -0.00545   2.82238
   D443      -1.34826   0.00000  -0.00158  -0.00416  -0.00574  -1.35400
   D444       0.00038   0.00003  -0.00086   0.00022  -0.00064  -0.00026
   D445       3.10994   0.00004   0.00250  -0.00217   0.00033   3.11027
   D446      -3.11977  -0.00001  -0.00101   0.00049  -0.00052  -3.12028
   D447      -0.01020   0.00001   0.00235  -0.00190   0.00045  -0.00975
   D448       2.41687   0.00001   0.00595  -0.00164   0.00432   2.42118
   D449      -1.78241   0.00002   0.00626  -0.00184   0.00443  -1.77798
   D450       0.32571   0.00000   0.00618  -0.00175   0.00444   0.33014
   D451      -0.69424   0.00000   0.00275   0.00064   0.00340  -0.69084
   D452       1.38967   0.00000   0.00306   0.00044   0.00351   1.39318
   D453      -2.78540  -0.00001   0.00299   0.00053   0.00352  -2.78188
   D454       2.06822  -0.00002  -0.00518   0.00192  -0.00326   2.06495
   D455      -2.13032  -0.00002  -0.00534   0.00190  -0.00343  -2.13376
   D456      -0.03662  -0.00003  -0.00556   0.00206  -0.00350  -0.04011
   D457      -1.10382   0.00000  -0.00199  -0.00036  -0.00235  -1.10617
   D458       0.98083  -0.00001  -0.00215  -0.00037  -0.00252   0.97830
   D459       3.07453  -0.00001  -0.00237  -0.00021  -0.00258   3.07195
   D460      -3.09684   0.00007   0.00401  -0.00383   0.00018  -3.09666
   D461      -0.03568   0.00006   0.00372  -0.00332   0.00040  -0.03528
   D462       0.05757   0.00004   0.00401  -0.00243   0.00159   0.05916
   D463       3.11873   0.00003   0.00373  -0.00192   0.00181   3.12054
   D464       1.95769  -0.00005  -0.00898   0.00869  -0.00030   1.95739
   D465      -2.24354  -0.00004  -0.00854   0.00814  -0.00041  -2.24395
   D466      -0.14999  -0.00005  -0.00914   0.00875  -0.00040  -0.15039
   D467      -1.10679  -0.00005  -0.00867   0.00815  -0.00052  -1.10730
   D468       0.97517  -0.00004  -0.00822   0.00760  -0.00063   0.97455
   D469       3.06872  -0.00005  -0.00883   0.00822  -0.00061   3.06810
   D470      -1.66842   0.00003   0.01140  -0.00760   0.00380  -1.66461
   D471       0.43547   0.00005   0.01173  -0.00770   0.00403   0.43951
   D472       2.52992   0.00002   0.01030  -0.00690   0.00339   2.53331
   D473       1.39639   0.00003   0.01109  -0.00709   0.00399   1.40038
   D474      -2.78290   0.00004   0.01141  -0.00718   0.00422  -2.77868
   D475      -0.68846   0.00002   0.00998  -0.00638   0.00358  -0.68487
   D476      -0.00981   0.00015   0.00717  -0.00456   0.00256  -0.00725
   D477      -3.10142   0.00016  -0.00004   0.00885   0.00880  -3.09261
   D478       3.10555   0.00008   0.00788  -0.00449   0.00337   3.10891
   D479       0.01394   0.00009   0.00067   0.00892   0.00961   0.02356
   D480      -0.37142   0.00001   0.00853  -0.00029   0.00816  -0.36326
   D481       1.73543   0.00005   0.00939  -0.00088   0.00852   1.74395
   D482      -2.45965   0.00001   0.00844  -0.00064   0.00784  -2.45180
   D483       2.72259   0.00000   0.01536  -0.01302   0.00221   2.72479
   D484      -1.45376   0.00004   0.01622  -0.01361   0.00257  -1.45118
   D485       0.63436  -0.00001   0.01527  -0.01338   0.00189   0.63625
   D486      -0.02100   0.00001   0.01794  -0.02588  -0.00795  -0.02895
   D487       2.07479  -0.00006   0.01568  -0.02469  -0.00903   2.06576
   D488      -2.12320  -0.00004   0.01592  -0.02500  -0.00910  -2.13230
   D489      -3.11496   0.00002   0.01107  -0.01314  -0.00205  -3.11701
   D490      -1.01917  -0.00005   0.00880  -0.01195  -0.00312  -1.02230
   D491       1.06602  -0.00003   0.00904  -0.01226  -0.00319   1.06283
         Item               Value     Threshold  Converged?
 Maximum Force            0.000218     0.000450     YES
 RMS     Force            0.000028     0.000300     YES
 Maximum Displacement     0.034541     0.001800     NO 
 RMS     Displacement     0.003136     0.001200     NO 
 Predicted change in Energy=-1.161962D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:53:44 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.832016   -0.601075    1.675459
      2          6           0       -2.081243    1.114380   -1.355351
      3          8           0       -2.634501    0.133654   -1.882851
      4          7           0       -0.788941    1.158691   -0.931633
      5          1           0       -2.626260    2.058230   -1.153314
      6          6           0       -0.243911    2.330704   -0.245305
      7          1           0       -0.995348    3.132305   -0.229531
      8          1           0        0.030643    2.063458    0.788322
      9          1           0        0.656681    2.683986   -0.773602
     10          6           0        0.119662    0.021950   -1.101203
     11          1           0        0.693023   -0.123261   -0.172331
     12          1           0       -0.463763   -0.882764   -1.316711
     13          1           0        0.824751    0.212452   -1.927127
     14          6           0       -1.987359   -4.015177    2.605358
     15          8           0       -2.100034   -3.862921    3.833843
     16          7           0       -2.937418   -3.708611    1.680625
     17          1           0       -1.059772   -4.408704    2.144159
     18          6           0       -4.235051   -3.147536    2.065237
     19          1           0       -4.506627   -2.354148    1.350833
     20          1           0       -5.016675   -3.925191    2.043734
     21          1           0       -4.165142   -2.725218    3.075989
     22          6           0       -2.700020   -3.887065    0.247938
     23          1           0       -3.413948   -4.615984   -0.169368
     24          1           0       -2.836924   -2.924709   -0.272266
     25          1           0       -1.673757   -4.244803    0.085538
     26          6           0        1.537070    0.381824    2.619290
     27          8           0        1.346099    1.398909    3.307402
     28          7           0        1.172858   -0.884116    2.961789
     29          1           0        2.026072    0.427597    1.626311
     30          6           0        1.489421   -2.030688    2.110166
     31          1           0        2.228914   -2.682864    2.604481
     32          1           0        0.577333   -2.620879    1.924425
     33          1           0        1.892661   -1.677047    1.151372
     34          6           0        0.533373   -1.169577    4.248599
     35          1           0        1.282568   -1.489795    4.992822
     36          1           0        0.024288   -0.266591    4.608377
     37          1           0       -0.197958   -1.979856    4.114062
     38          6           0       -4.615431    1.161077    2.910055
     39          8           0       -4.885230    1.784285    1.869525
     40          7           0       -3.522667    1.367088    3.695046
     41          1           0       -5.256127    0.336918    3.284644
     42          6           0       -2.517633    2.381547    3.363819
     43          1           0       -2.583694    2.625918    2.295184
     44          1           0       -2.675062    3.295617    3.960201
     45          1           0       -1.518419    1.978590    3.587902
     46          6           0       -3.256656    0.540721    4.873202
     47          1           0       -4.064078   -0.193072    5.001112
     48          1           0       -2.298762    0.008572    4.746294
     49          1           0       -3.190220    1.173308    5.773370
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.491520   0.000000
     3  O    3.720939   1.243453   0.000000
     4  N    3.313866   1.360714   2.315514   0.000000
     5  H    3.962914   1.108475   2.058224   2.057682   0.000000
     6  C    3.847953   2.467273   3.636414   1.463462   2.564042
     7  H    4.274006   2.553167   3.796340   2.104924   2.160297
     8  H    3.369903   3.155336   4.238196   2.109163   3.290762
     9  H    4.794072   3.209099   4.308886   2.107444   3.363547
    10  C    3.450661   2.470218   2.865112   1.465092   3.418953
    11  H    3.165194   3.260037   3.750240   2.101466   4.091317
    12  H    3.302203   2.570276   2.462869   2.102752   3.654113
    13  H    4.549601   3.095998   3.460433   2.119052   3.989382
    14  C    3.541883   6.481387   6.146187   6.380863   7.170919
    15  O    3.920472   7.190384   6.995632   7.045943   7.759426
    16  N    3.298291   5.762936   5.249107   5.927097   6.433078
    17  H    3.913321   6.617736   6.271332   6.366297   7.426200
    18  C    3.522921   5.873946   5.377302   6.276982   6.328292
    19  H    3.214373   5.023605   4.488957   5.600971   5.410694
    20  H    4.618163   6.750393   6.129196   7.250682   7.192810
    21  H    3.452093   6.222694   5.925041   6.522616   6.567841
    22  C    3.686323   5.288466   4.550905   5.522976   6.108640
    23  H    4.693122   6.001644   5.109073   6.388942   6.792182
    24  H    3.194175   4.249514   3.462448   4.615534   5.064614
    25  H    3.978650   5.564445   4.895760   5.569136   6.493862
    26  C    3.634233   5.424629   6.142709   4.315427   5.863122
    27  O    4.094336   5.793867   6.662190   4.752423   6.009354
    28  N    3.280857   5.763754   6.245189   4.814609   6.326514
    29  H    3.993172   5.121720   5.841367   3.873226   5.659459
    30  C    3.642074   5.886501   6.134761   4.961412   6.656454
    31  H    4.657046   6.976875   7.191782   6.030680   7.757043
    32  H    3.153816   5.637119   5.691984   4.930407   6.452096
    33  H    3.912238   5.465130   5.742852   4.423948   6.299566
    34  C    3.541088   6.592187   7.023427   5.831308   7.041497
    35  H    4.636307   7.641743   8.077988   6.812106   8.102000
    36  H    3.487083   6.473514   7.026052   5.777930   6.754797
    37  H    3.243141   6.560147   6.809305   5.971497   7.067393
    38  C    3.518069   4.961651   5.286931   5.422232   4.612229
    39  O    3.879397   4.325615   4.676612   5.001744   3.783589
    40  N    3.287962   5.258144   5.781275   5.377997   4.978737
    41  H    3.897928   5.675728   5.798038   6.197423   5.438252
    42  C    3.495234   4.905783   5.709136   4.789014   4.529991
    43  H    3.370840   3.982915   4.865177   3.973191   3.495171
    44  H    4.595104   5.776288   6.643863   5.661620   5.261325
    45  H    3.226523   5.049691   5.880355   4.650868   4.869577
    46  C    3.682235   6.364397   6.796840   6.337793   6.246529
    47  H    4.025982   6.785697   7.038423   6.910228   6.709146
    48  H    3.165366   6.204852   6.638820   5.986751   6.254096
    49  H    4.667551   7.214705   7.746447   7.122038   7.005719
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098850   0.000000
     8  H    1.102354   1.797531   0.000000
     9  H    1.102257   1.796164   1.793484   0.000000
    10  C    2.488995   3.417217   2.783161   2.735351   0.000000
    11  H    2.627759   3.667776   2.478577   2.871146   1.101196
    12  H    3.394499   4.193486   3.654562   3.777839   1.097878
    13  H    2.908188   3.836684   3.380902   2.732645   1.102539
    14  C    7.171896   7.752882   6.657608   7.955318   5.871672
    15  O    7.644975   8.164835   6.995495   8.466995   6.661378
    16  N    6.887490   7.363319   6.551517   7.733438   5.567890
    17  H    7.196860   7.906034   6.701954   7.859121   5.617307
    18  C    7.160930   7.429539   6.854277   8.123712   6.247841
    19  H    6.531940   6.702820   6.357553   7.520356   5.749859
    20  H    8.194827   8.434871   7.931922   9.154537   7.200868
    21  H    7.208980   7.435364   6.765312   8.205413   6.584483
    22  C    6.703463   7.239160   6.569418   7.449140   5.005116
    23  H    7.636189   8.117218   7.576102   8.380016   5.904672
    24  H    5.860360   6.330928   5.850607   6.626769   4.255742
    25  H    6.737300   7.414933   6.572141   7.360514   4.778063
    26  C    3.895630   4.700433   2.906830   4.193656   3.997578
    27  O    4.002262   4.582242   2.918530   4.333741   4.778699
    28  N    4.756864   5.569317   3.836249   5.191429   4.293959
    29  H    3.503939   4.459661   2.712933   3.567367   3.352355
    30  C    5.251135   6.189084   4.542833   5.589071   4.049994
    31  H    6.274712   7.227979   5.537003   6.533486   5.049461
    32  H    5.468120   6.341291   4.851042   5.952077   4.043319
    33  H    4.751602   5.777315   4.194079   4.924610   3.332299
    34  C    5.749027   6.395063   4.762223   6.331481   5.496479
    35  H    6.660654   7.336598   5.645417   7.145895   6.385520
    36  H    5.511451   5.999792   4.474593   6.170212   5.717662
    37  H    6.130833   6.755503   5.240343   6.809632   5.595275
    38  C    5.516749   5.181480   5.186718   6.609368   6.309431
    39  O    5.129612   4.621079   5.041106   6.205510   6.081118
    40  N    5.215857   4.990554   4.643273   6.258592   6.170897
    41  H    6.446552   6.190141   6.096105   7.545818   6.945068
    42  C    4.265931   3.974059   3.637042   5.223599   5.697319
    43  H    3.466385   3.025468   3.069487   4.463278   5.062039
    44  H    4.952558   4.516853   4.347398   5.820953   6.644185
    45  H    4.054853   4.022121   3.200694   4.924567   5.338489
    46  C    6.203208   6.153674   5.459973   7.196817   6.882018
    47  H    6.963333   6.916275   6.293351   7.994394   7.401903
    48  H    5.876288   6.017925   5.031324   6.808944   6.327889
    49  H    6.800350   6.685055   6.001419   7.742328   7.716263
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795718   0.000000
    13  H    1.791470   1.797881   0.000000
    14  C    5.481515   5.245567   6.806190   0.000000
    15  O    6.151069   6.171460   7.638836   1.243002   0.000000
    16  N    5.428470   4.805039   6.522617   1.360781   2.315464
    17  H    5.177204   4.976455   6.440643   1.108145   2.057925
    18  C    6.199909   5.548818   7.268431   2.469139   2.863222
    19  H    5.859458   5.062165   6.764322   3.267960   3.772722
    20  H    7.208763   6.424792   8.185968   3.082251   3.422742
    21  H    6.397150   6.032467   7.652458   2.574534   2.476567
    22  C    5.084839   4.058915   5.827603   2.466115   3.635833
    23  H    6.087017   4.894580   6.661087   3.177300   4.280091
    24  H    4.507619   3.300348   5.097863   3.192428   4.275907
    25  H    4.759753   3.838449   5.491856   2.549621   3.791746
    26  C    2.959844   4.592888   4.604997   5.635194   5.720274
    27  O    3.853836   5.464801   5.392567   6.396650   6.311880
    28  N    3.260652   4.580840   5.022464   4.462909   4.510607
    29  H    2.305554   4.071573   3.757178   6.066663   6.348740
    30  C    3.079337   4.108058   4.666176   4.033784   4.383187
    31  H    4.076912   5.085923   5.557877   4.421767   4.652274
    32  H    3.263106   3.822287   4.787842   2.997563   3.515230
    33  H    2.367609   3.503577   3.766669   4.757676   5.283494
    34  C    4.545865   5.661203   6.335180   4.141469   3.789585
    35  H    5.375293   6.574827   7.140934   4.771788   4.291498
    36  H    4.829380   5.977000   6.601745   4.702202   4.248086
    37  H    4.755413   5.546851   6.507543   3.101721   2.691161
    38  C    6.271389   6.267311   7.341240   5.813192   5.693959
    39  O    6.238976   6.067506   7.034850   6.524788   6.595969
    40  N    5.911834   6.287801   7.200143   5.702049   5.421822
    41  H    6.896001   6.754764   8.009690   5.485162   5.282159
    42  C    5.393211   6.064773   6.623490   6.463322   6.276042
    43  H    4.937964   5.463584   5.938875   6.675025   6.686287
    44  H    6.333288   7.084808   7.511008   7.467010   7.182708
    45  H    4.842273   5.775368   6.247018   6.091842   5.875544
    46  C    6.441913   6.938413   7.937892   5.245039   4.670129
    47  H    7.028470   7.304302   8.489146   4.965972   4.322936
    48  H    5.758561   6.397009   7.371055   4.568493   3.982527
    49  H    7.218867   7.869578   8.737328   6.197060   5.505804
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056830   0.000000
    18  C    1.465122   3.417480   0.000000
    19  H    2.098988   4.090400   1.101631   0.000000
    20  H    2.121807   3.987599   1.102789   1.791211   0.000000
    21  H    2.102715   3.653184   1.097661   1.797350   1.797385
    22  C    1.463146   2.560893   2.491144   2.613435   2.931420
    23  H    2.114919   3.307192   2.797143   2.936131   2.818466
    24  H    2.106747   3.346583   2.732825   2.397478   3.334086
    25  H    2.104435   2.154475   3.418103   3.633277   3.887388
    26  C    6.134640   5.469781   6.788280   6.754318   7.863410
    27  O    6.861609   6.392943   7.304955   7.222742   8.392126
    28  N    5.149128   4.251574   5.930629   6.083808   6.957103
    29  H    6.461223   5.760244   7.223289   7.105642   8.289831
    30  C    4.753613   3.486331   5.832577   6.052587   6.776639
    31  H    5.347584   3.742443   6.503042   6.859096   7.372678
    32  H    3.687286   2.434074   4.843164   5.123164   5.745293
    33  H    5.266596   4.142999   6.367601   6.438101   7.320477
    34  C    5.008750   4.178364   5.605110   5.933115   6.577071
    35  H    5.805349   4.703346   6.462428   6.893908   7.369446
    36  H    5.402864   4.940107   5.736669   5.958076   6.736027
    37  H    4.051525   3.243847   4.675391   5.132266   5.593802
    38  C    5.295384   6.652200   4.407103   3.847053   5.175097
    39  O    5.831086   7.284413   4.978343   4.187960   5.713645
    40  N    5.492097   6.467679   4.852381   4.506785   5.741699
    41  H    4.931085   6.436694   3.830271   3.397530   4.445533
    42  C    6.332408   7.051272   5.933515   5.516794   6.911062
    43  H    6.374093   7.199379   6.009379   5.421303   6.992828
    44  H    7.370516   8.078597   6.894830   6.487162   7.829180
    45  H    6.164051   6.564471   5.997980   5.718958   7.033980
    46  C    5.324592   6.063892   4.737633   4.727554   5.572066
    47  H    4.965280   5.912663   4.168627   4.265048   4.856154
    48  H    4.860417   5.274327   4.571466   4.688951   5.492301
    49  H    6.375548   6.990625   5.788922   5.808159   6.575775
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390331   0.000000
    23  H    3.830357   1.102343   0.000000
    24  H    3.607599   1.102490   1.789959   0.000000
    25  H    4.178389   1.098893   1.797503   1.795446   0.000000
    26  C    6.509802   6.465266   7.567516   6.198878   6.175354
    27  O    6.887362   7.326180   8.421693   7.000384   7.165991
    28  N    5.647738   5.601953   6.691022   5.540892   5.260252
    29  H    7.097390   6.546157   7.632562   6.204135   6.155814
    30  C    5.778345   4.946256   5.993585   5.019215   4.359716
    31  H    6.411558   5.594443   6.578228   5.830685   4.900569
    32  H    4.881400   3.892927   4.928969   4.071230   3.329571
    33  H    6.442034   5.176205   6.208205   5.094349   4.522025
    34  C    5.086362   5.817633   6.854014   5.905727   5.626679
    35  H    5.905765   6.642426   7.647125   6.837422   6.356993
    36  H    5.093563   6.288331   7.318848   6.250824   6.258243
    37  H    4.167938   4.984443   5.969886   5.205455   4.851492
    38  C    3.915812   6.019917   6.655888   5.475756   6.771624
    39  O    4.723315   6.290382   6.876424   5.563943   7.060175
    40  N    4.188434   6.337620   7.123389   5.884670   6.923896
    41  H    3.257371   5.796318   6.313087   5.398367   6.637757
    42  C    5.373657   7.002676   7.890009   6.440452   7.440952
    43  H    5.634296   6.828155   7.694705   6.120898   7.274430
    44  H    6.265191   8.085322   8.955039   7.525452   8.536601
    45  H    5.421532   6.852550   7.822948   6.378221   7.142920
    46  C    3.836884   6.427145   7.214143   6.217815   6.951873
    47  H    3.182464   6.172430   6.835107   6.064344   6.803898
    48  H    3.707682   5.964243   6.840606   5.837782   6.340700
    49  H    4.839922   7.508533   8.299524   7.312201   8.000439
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242750   0.000000
    28  N    1.361089   2.315527   0.000000
    29  H    1.107802   2.057153   2.057199   0.000000
    30  C    2.466109   3.635388   1.462908   2.562279   0.000000
    31  H    3.141843   4.234894   2.116227   3.266945   1.102965
    32  H    3.228027   4.319991   2.108819   3.388351   1.102148
    33  H    2.553465   3.795879   2.103441   2.161687   1.098613
    34  C    2.463514   2.853681   1.465029   3.414017   2.495684
    35  H    3.033378   3.345038   2.122257   3.944944   2.940248
    36  H    2.581747   2.492711   2.100429   3.658108   3.391122
    37  H    3.289711   3.801429   2.099409   4.114735   2.620197
    38  C    6.208466   5.979489   6.139201   6.804084   6.935157
    39  O    6.616267   6.406674   6.709236   7.047401   7.432907
    40  N    5.265827   4.884277   5.258664   5.995900   6.259213
    41  H    6.825851   6.687132   6.551871   7.469185   7.244817
    42  C    4.581903   3.987128   4.944281   5.242338   6.090644
    43  H    4.703371   4.239506   5.184244   5.150724   6.189384
    44  H    5.294364   4.493705   5.768318   5.981074   7.009641
    45  H    3.581046   2.936014   3.978703   4.337838   5.225430
    46  C    5.299546   4.936960   5.030334   6.201800   6.063972
    47  H    6.113628   5.888384   5.662321   6.990311   6.525009
    48  H    4.401940   4.157939   4.004185   5.349212   5.045600
    49  H    5.737765   5.168180   5.583408   6.705512   6.751570
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787187   0.000000
    33  H    1.798960   1.794022   0.000000
    34  C    2.805000   2.740438   3.420235   0.000000
    35  H    2.832518   3.345410   3.894100   1.103494   0.000000
    36  H    3.835929   3.612773   4.175055   1.097265   1.796467
    37  H    2.943258   2.409668   3.638669   1.099771   1.790066
    38  C    7.855846   6.499189   7.314587   5.808083   6.793484
    39  O    8.432475   7.017698   7.644369   6.614117   7.649595
    40  N    7.118436   5.987402   6.712884   4.815864   5.739014
    41  H    8.099849   6.680420   7.727359   6.059459   7.000663
    42  C    6.982447   6.055984   6.388881   4.764657   5.664138
    43  H    7.172170   6.136647   6.313602   5.285614   6.258140
    44  H    7.850426   7.051764   7.313071   5.505923   6.295181
    45  H    6.061252   5.321132   5.561999   3.815407   4.674294
    46  C    6.755004   5.778449   6.729486   4.204708   4.974119
    47  H    7.179460   6.074779   7.246062   4.759873   5.501652
    48  H    5.686039   4.811328   5.773457   3.107527   3.889962
    49  H    7.367424   6.588224   7.437949   4.656091   5.263763
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796947   0.000000
    38  C    5.142910   5.552401   0.000000
    39  O    5.984210   6.416948   1.242531   0.000000
    40  N    4.010482   4.736169   1.361171   2.315850   0.000000
    41  H    5.477160   5.624984   1.109074   2.057910   2.057806
    42  C    3.875942   4.996558   2.469049   2.862717   1.465923
    43  H    4.529794   5.496654   2.579105   2.487288   2.103791
    44  H    4.516187   5.830123   3.069869   3.397041   2.123196
    45  H    2.908978   4.205919   3.274032   3.784969   2.098195
    46  C    3.389171   4.035497   2.466790   3.636039   1.463453
    47  H    4.107844   4.350440   2.551515   3.793556   2.105477
    48  H    2.343352   2.960902   3.172853   4.256615   2.109177
    49  H    3.709930   4.652889   3.198429   4.299576   2.113647
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418498   0.000000
    43  H    3.655195   1.098208   0.000000
    44  H    3.983989   1.102714   1.796976   0.000000
    45  H    4.093594   1.100462   1.795818   1.791923   0.000000
    46  C    2.561823   2.492596   3.383356   2.959945   2.596331
    47  H    2.155954   3.420656   4.178551   3.896641   3.632308
    48  H    3.315153   2.755023   3.597169   3.400618   2.414907
    49  H    3.340850   2.778157   3.817817   2.838515   2.866997
                   46         47         48         49
    46  C    0.000000
    47  H    1.098518   0.000000
    48  H    1.103109   1.794974   0.000000
    49  H    1.102218   1.796387   1.790585   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2139513      0.1941957      0.1843488
 Leave Link  202 at Mon Nov 14 02:53:44 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.3203588622 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839798675 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.1363789948 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4018
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.65D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.20%
 GePol: Cavity surface area                          =    467.353 Ang**2
 GePol: Cavity volume                                =    457.790 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040047789 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.1323742159 Hartrees.
 Leave Link  301 at Mon Nov 14 02:53:45 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37494.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:53:46 2016, MaxMem=  2952790016 cpu:        15.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:53:46 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000264    0.000525    0.000387
         Rot=    1.000000   -0.000086   -0.000009   -0.000153 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50888601842    
 Leave Link  401 at Mon Nov 14 02:53:53 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48432972.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.15D-14 for   2189.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.20D-14 for   2411    159.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.99D-15 for   1859.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.14D-12 for   1950   1941.
 E= -1013.45104381739    
 DIIS: error= 4.36D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45104381739     IErMin= 1 ErrMin= 4.36D-04
 ErrMax= 4.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-04 BMatP= 1.51D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.36D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.80D-05 MaxDP=3.39D-03              OVMax= 4.60D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.80D-05    CP:  1.00D+00
 E= -1013.45131465376     Delta-E=       -0.000270836368 Rises=F Damp=F
 DIIS: error= 8.33D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45131465376     IErMin= 2 ErrMin= 8.33D-05
 ErrMax= 8.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.31D-06 BMatP= 1.51D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.217D-01 0.978D+00
 Coeff:      0.217D-01 0.978D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.33D-05 MaxDP=5.32D-04 DE=-2.71D-04 OVMax= 1.09D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.26D-05    CP:  1.00D+00  9.39D-01
 E= -1013.45131051413     Delta-E=        0.000004139623 Rises=F Damp=F
 DIIS: error= 2.04D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45131465376     IErMin= 2 ErrMin= 8.33D-05
 ErrMax= 2.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.10D-06 BMatP= 3.31D-06
 IDIUse=3 WtCom= 4.12D-01 WtEn= 5.88D-01
 Coeff-Com:  0.182D-02 0.623D+00 0.376D+00
 Coeff-En:   0.000D+00 0.691D+00 0.309D+00
 Coeff:      0.748D-03 0.663D+00 0.336D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.52D-06 MaxDP=4.59D-04 DE= 4.14D-06 OVMax= 1.06D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.89D-06    CP:  1.00D+00  9.57D-01  4.56D-01
 E= -1013.45131694239     Delta-E=       -0.000006428254 Rises=F Damp=F
 DIIS: error= 4.29D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45131694239     IErMin= 4 ErrMin= 4.29D-05
 ErrMax= 4.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.29D-07 BMatP= 3.31D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.285D-03 0.285D+00 0.238D+00 0.477D+00
 Coeff:     -0.285D-03 0.285D+00 0.238D+00 0.477D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.91D-06 MaxDP=1.85D-04 DE=-6.43D-06 OVMax= 2.85D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.32D-06    CP:  1.00D+00  9.63D-01  4.69D-01  4.77D-01
 E= -1013.45131755105     Delta-E=       -0.000000608662 Rises=F Damp=F
 DIIS: error= 1.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45131755105     IErMin= 5 ErrMin= 1.05D-05
 ErrMax= 1.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-07 BMatP= 8.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.232D-04 0.162D+00 0.146D+00 0.338D+00 0.354D+00
 Coeff:     -0.232D-04 0.162D+00 0.146D+00 0.338D+00 0.354D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.37D-07 MaxDP=4.65D-05 DE=-6.09D-07 OVMax= 7.08D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.53D-07    CP:  1.00D+00  9.65D-01  4.58D-01  5.10D-01  4.98D-01
 E= -1013.45131765519     Delta-E=       -0.000000104141 Rises=F Damp=F
 DIIS: error= 4.80D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45131765519     IErMin= 6 ErrMin= 4.80D-07
 ErrMax= 4.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.19D-10 BMatP= 1.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.169D-04 0.461D-01 0.426D-01 0.102D+00 0.123D+00 0.687D+00
 Coeff:     -0.169D-04 0.461D-01 0.426D-01 0.102D+00 0.123D+00 0.687D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.48D-08 MaxDP=3.65D-06 DE=-1.04D-07 OVMax= 5.23D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.36D-08    CP:  1.00D+00  9.65D-01  4.60D-01  5.12D-01  5.03D-01
                    CP:  9.31D-01
 E= -1013.45131765540     Delta-E=       -0.000000000209 Rises=F Damp=F
 DIIS: error= 3.80D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45131765540     IErMin= 7 ErrMin= 3.80D-07
 ErrMax= 3.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-11 BMatP= 4.19D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-04 0.141D-01 0.133D-01 0.326D-01 0.423D-01 0.366D+00
 Coeff-Com:  0.531D+00
 Coeff:     -0.113D-04 0.141D-01 0.133D-01 0.326D-01 0.423D-01 0.366D+00
 Coeff:      0.531D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.08D-08 MaxDP=1.80D-06 DE=-2.09D-10 OVMax= 1.77D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.44D-08    CP:  1.00D+00  9.64D-01  4.60D-01  5.12D-01  5.03D-01
                    CP:  9.37D-01  7.77D-01
 E= -1013.45131765557     Delta-E=       -0.000000000173 Rises=F Damp=F
 DIIS: error= 7.07D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45131765557     IErMin= 8 ErrMin= 7.07D-08
 ErrMax= 7.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.11D-12 BMatP= 8.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.313D-05 0.105D-02 0.112D-02 0.298D-02 0.465D-02 0.778D-01
 Coeff-Com:  0.221D+00 0.691D+00
 Coeff:     -0.313D-05 0.105D-02 0.112D-02 0.298D-02 0.465D-02 0.778D-01
 Coeff:      0.221D+00 0.691D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.38D-09 MaxDP=5.63D-07 DE=-1.73D-10 OVMax= 7.18D-07

 Error on total polarization charges =  0.04315
 SCF Done:  E(RB97D) =  -1013.45131766     A.U. after    8 cycles
            NFock=  8  Conv=0.94D-08     -V/T= 2.0213
 KE= 9.923477924192D+02 PE=-6.027808346459D+03 EE= 2.173876862168D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:55:31 2016, MaxMem=  2952790016 cpu:      1109.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37494.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     358
 Leave Link  701 at Mon Nov 14 02:55:39 2016, MaxMem=  2952790016 cpu:        96.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:55:39 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:56:16 2016, MaxMem=  2952790016 cpu:       439.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19454424D+00-2.64138355D+00 3.28823501D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000018180    0.000530596    0.000011868
      2        6           0.000128065   -0.000093142    0.000300111
      3        8          -0.000009670   -0.000034593   -0.000176174
      4        7           0.000027143    0.000016978   -0.000082090
      5        1          -0.000026930    0.000045149   -0.000041749
      6        6           0.000034250   -0.000302194   -0.000039392
      7        1           0.000030595    0.000021443    0.000102953
      8        1           0.000027846    0.000168379   -0.000220011
      9        1           0.000040041    0.000198565    0.000239335
     10        6          -0.000038374    0.000034504   -0.000073162
     11        1          -0.000046208    0.000005521   -0.000017137
     12        1           0.000025890    0.000040457   -0.000052326
     13        1           0.000051953    0.000017711    0.000023578
     14        6          -0.000107609    0.000041195    0.000023150
     15        8           0.000004311   -0.000095166   -0.000012138
     16        7          -0.000015951    0.000069961   -0.000052790
     17        1           0.000028478    0.000016312   -0.000028359
     18        6           0.000019413    0.000007799   -0.000069961
     19        1          -0.000000390    0.000011483   -0.000044686
     20        1           0.000002450   -0.000015567   -0.000050406
     21        1          -0.000036863   -0.000041831   -0.000055275
     22        6           0.000023178   -0.000000556    0.000028393
     23        1           0.000030743    0.000005879   -0.000080553
     24        1           0.000071349    0.000010145   -0.000042365
     25        1           0.000024548    0.000030225   -0.000030556
     26        6          -0.000069655    0.000054053    0.000003110
     27        8           0.000040011   -0.000067419    0.000168030
     28        7           0.000051366    0.000142477    0.000067315
     29        1          -0.000015350   -0.000039696    0.000019757
     30        6          -0.000053396   -0.000118849   -0.000040597
     31        1           0.000085583    0.000088148   -0.000002008
     32        1           0.000035987    0.000009820    0.000056828
     33        1          -0.000060958    0.000002639   -0.000004825
     34        6          -0.000005546   -0.000076406    0.000024622
     35        1          -0.000020240    0.000006236   -0.000002971
     36        1          -0.000081872   -0.000004419   -0.000025968
     37        1           0.000025905   -0.000038843    0.000013239
     38        6          -0.000103116   -0.000323225    0.000318801
     39        8           0.000232945   -0.000063151   -0.000077208
     40        7          -0.000146128   -0.000021853   -0.000133848
     41        1          -0.000020193    0.000029307   -0.000029695
     42        6          -0.000174292   -0.000284787    0.000034169
     43        1          -0.000003423    0.000014483    0.000080200
     44        1           0.000068008   -0.000027522    0.000023497
     45        1          -0.000040641    0.000083254    0.000000024
     46        6           0.000111558    0.000081268    0.000002752
     47        1          -0.000039611   -0.000059963   -0.000025897
     48        1          -0.000077939   -0.000039751    0.000009251
     49        1          -0.000009081   -0.000035052   -0.000038834
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000530596 RMS     0.000098732
 Leave Link  716 at Mon Nov 14 02:56:16 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000189427 RMS     0.000024831
 Search for a local minimum.
 Step number  61 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .24831D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   44   46   49   51   53
                                                     55   56   57   59   60
                                                     61
 DE= -1.32D-05 DEPred=-1.16D-05 R= 1.14D+00
 TightC=F SS=  1.41D+00  RLast= 8.27D-02 DXNew= 5.6111D-01 2.4800D-01
 Trust test= 1.14D+00 RLast= 8.27D-02 DXMaxT set to 3.34D-01
 ITU=  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0
 ITU=  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0
     Eigenvalues ---    0.00000   0.00000   0.00047   0.00098   0.00128
     Eigenvalues ---    0.00224   0.00261   0.00340   0.00395   0.00461
     Eigenvalues ---    0.00535   0.00588   0.00616   0.00693   0.00720
     Eigenvalues ---    0.00792   0.00877   0.00896   0.01012   0.01038
     Eigenvalues ---    0.01110   0.01160   0.01228   0.01283   0.01335
     Eigenvalues ---    0.01434   0.01479   0.01552   0.01635   0.01640
     Eigenvalues ---    0.01753   0.01782   0.01823   0.01885   0.01905
     Eigenvalues ---    0.02060   0.02078   0.02186   0.02287   0.02314
     Eigenvalues ---    0.02398   0.02546   0.02739   0.02936   0.03116
     Eigenvalues ---    0.03238   0.03841   0.04092   0.04352   0.04577
     Eigenvalues ---    0.04766   0.05327   0.05657   0.05953   0.06150
     Eigenvalues ---    0.06282   0.06339   0.06576   0.06749   0.06952
     Eigenvalues ---    0.07110   0.07290   0.07841   0.08009   0.08090
     Eigenvalues ---    0.08134   0.08249   0.08307   0.08530   0.08701
     Eigenvalues ---    0.08727   0.08902   0.09107   0.09201   0.09471
     Eigenvalues ---    0.09689   0.09829   0.09902   0.10144   0.10327
     Eigenvalues ---    0.10468   0.10516   0.10548   0.10932   0.11173
     Eigenvalues ---    0.11235   0.11321   0.11624   0.12932   0.13445
     Eigenvalues ---    0.13920   0.14431   0.14834   0.15024   0.15265
     Eigenvalues ---    0.15660   0.17217   0.21955   0.22491   0.23544
     Eigenvalues ---    0.24337   0.24668   0.25110   0.25904   0.26925
     Eigenvalues ---    0.27532   0.27623   0.28988   0.29309   0.29718
     Eigenvalues ---    0.30965   0.32246   0.32791   0.32818   0.32828
     Eigenvalues ---    0.33010   0.33310   0.33354   0.33373   0.33391
     Eigenvalues ---    0.33418   0.33433   0.33449   0.33592   0.33703
     Eigenvalues ---    0.33792   0.33816   0.33837   0.33925   0.33951
     Eigenvalues ---    0.34032   0.34124   0.37114   0.38314   0.39031
     Eigenvalues ---    0.43271   0.49127   0.85921   0.86082   0.87801
     Eigenvalues ---    0.91356
 Eigenvalue     1 is   3.83D-07 Eigenvector:
                         D381      D373      D383      D375      D399
   1                   -0.19234  -0.18528  -0.18411  -0.18227  -0.17901
                         D397      D371      D369      D379      D395
   1                   -0.17700  -0.17588  -0.17559  -0.17029  -0.16995
 Eigenvalue     2 is   2.12D-06 Eigenvector:
                          R18      D481      D480      D482      D484
   1                   -0.28465   0.27471   0.26708   0.25257   0.17712
                         D483      D486      D488       R20      D487
   1                    0.16949  -0.16926  -0.16457   0.15873  -0.15835
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    61   60   59   58
 RFO step:  Lambda=-1.18338017D-06.
 NNeg= 0 NP= 4 Switch=  2.50D-03 Rises=F DC=  1.95D-03 SmlDif=  1.00D-05
 RMS Error=  0.1618519211D-03 NUsed= 4 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.19572    0.06572    0.75109   -0.01252
 Iteration  1 RMS(Cart)=  0.00452459 RMS(Int)=  0.00042341
 Iteration  2 RMS(Cart)=  0.00035597 RMS(Int)=  0.00004260
 Iteration  3 RMS(Cart)=  0.00000375 RMS(Int)=  0.00004244
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00004244
 ITry= 1 IFail=0 DXMaxC= 4.80D-02 DCOld= 1.00D+10 DXMaxT= 3.34D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59802  -0.00005  -0.00762   0.00232  -0.00530   6.59272
    R2        6.26230   0.00000  -0.00083   0.00264   0.00181   6.26411
    R3        7.27158  -0.00006  -0.00390   0.00808   0.00418   7.27575
    R4        6.36819   0.00011  -0.00057  -0.00035  -0.00092   6.36727
    R5        6.52080   0.00009   0.00249  -0.00615  -0.00365   6.51715
    R6        5.98135   0.00001  -0.00235   0.00027  -0.00208   5.97927
    R7        6.69319   0.00002   0.00273  -0.00211   0.00062   6.69381
    R8        6.23287  -0.00001  -0.00221   0.00288   0.00067   6.23354
    R9        6.65736   0.00003  -0.00058   0.00109   0.00051   6.65787
   R10        6.07428   0.00000  -0.00021   0.00239   0.00218   6.07647
   R11        6.96614  -0.00004  -0.00338   0.00368   0.00029   6.96643
   R12        6.03612  -0.00002  -0.00284   0.00372   0.00089   6.03700
   R13        6.86770  -0.00003  -0.00002  -0.00142  -0.00145   6.86626
   R14        6.19992   0.00002  -0.00299   0.00164  -0.00133   6.19859
   R15        6.88252  -0.00002  -0.00371   0.00245  -0.00123   6.88130
   R16        5.95985   0.00001   0.00366  -0.00585  -0.00221   5.95764
   R17        6.69169   0.00006  -0.00363   0.00167  -0.00196   6.68973
   R18        6.64819  -0.00012   0.02321  -0.02211   0.00118   6.64936
   R19        6.21335  -0.00004  -0.00571   0.00561   0.00003   6.21338
   R20        6.60504  -0.00012   0.00139  -0.01320  -0.01185   6.59318
   R21        6.09724   0.00001  -0.02535   0.03545   0.00994   6.10718
   R22        6.95842   0.00001  -0.01617   0.02307   0.00705   6.96547
   R23        5.98168   0.00003  -0.00940   0.01269   0.00327   5.98495
   R24        2.34979   0.00014   0.00006  -0.00004   0.00002   2.34980
   R25        2.57138  -0.00002   0.00012  -0.00011   0.00001   2.57139
   R26        2.09471   0.00003  -0.00006   0.00011   0.00005   2.09476
   R27        2.76554   0.00004   0.00011  -0.00064  -0.00052   2.76502
   R28        2.76862  -0.00004  -0.00020   0.00033   0.00013   2.76875
   R29        2.07653  -0.00002  -0.00003   0.00016   0.00014   2.07666
   R30        2.08315  -0.00018   0.00017   0.00034   0.00051   2.08366
   R31        2.08296  -0.00001   0.00008  -0.00017  -0.00009   2.08287
   R32        2.08096   0.00001   0.00006  -0.00008   0.00000   2.08096
   R33        2.07469   0.00000   0.00000  -0.00006  -0.00005   2.07464
   R34        2.08350   0.00001   0.00002  -0.00013  -0.00011   2.08339
   R35        2.34893   0.00001  -0.00010   0.00006  -0.00003   2.34890
   R36        2.57150   0.00002   0.00000  -0.00001  -0.00003   2.57148
   R37        2.09409   0.00001   0.00000   0.00000   0.00001   2.09410
   R38        2.76868  -0.00002   0.00000  -0.00005  -0.00005   2.76863
   R39        2.76494   0.00001   0.00001   0.00002   0.00002   2.76497
   R40        2.08178  -0.00001   0.00010  -0.00019  -0.00008   2.08171
   R41        2.08397   0.00001   0.00001   0.00000   0.00000   2.08397
   R42        2.07428  -0.00003   0.00006  -0.00005   0.00001   2.07429
   R43        2.08313   0.00001   0.00007  -0.00010  -0.00004   2.08309
   R44        2.08340  -0.00002   0.00016  -0.00052  -0.00031   2.08310
   R45        2.07661  -0.00001   0.00004  -0.00004  -0.00001   2.07660
   R46        2.34846   0.00001   0.00004  -0.00008  -0.00003   2.34842
   R47        2.57208  -0.00007  -0.00039   0.00080   0.00039   2.57248
   R48        2.09344   0.00000   0.00004  -0.00004   0.00000   2.09344
   R49        2.76450   0.00005   0.00015   0.00012   0.00025   2.76475
   R50        2.76850  -0.00001   0.00009   0.00015   0.00024   2.76874
   R51        2.08430   0.00000   0.00004  -0.00008  -0.00004   2.08426
   R52        2.08276  -0.00002  -0.00040   0.00092   0.00046   2.08322
   R53        2.07608  -0.00001   0.00001   0.00000   0.00000   2.07608
   R54        2.08530  -0.00002  -0.00004   0.00004   0.00001   2.08531
   R55        2.07353   0.00003   0.00018  -0.00026  -0.00008   2.07345
   R56        2.07827  -0.00001  -0.00009   0.00006  -0.00004   2.07823
   R57        2.34804  -0.00002   0.00007   0.00000   0.00007   2.34812
   R58        2.57224  -0.00014  -0.00005   0.00077   0.00058   2.57282
   R59        2.09585  -0.00004  -0.00007   0.00001  -0.00006   2.09579
   R60        2.77019  -0.00005  -0.00011   0.00102   0.00083   2.77102
   R61        2.76553  -0.00006  -0.00043   0.00123   0.00066   2.76618
   R62        2.07531  -0.00006  -0.00032   0.00068   0.00036   2.07567
   R63        2.08383  -0.00002   0.00002   0.00000   0.00001   2.08384
   R64        2.07957  -0.00005  -0.00011   0.00114   0.00097   2.08054
   R65        2.07590   0.00003   0.00025  -0.00043  -0.00018   2.07572
   R66        2.08457  -0.00003  -0.00009   0.00011   0.00000   2.08457
   R67        2.08289  -0.00003   0.00020  -0.00025  -0.00005   2.08284
    A1        0.67903   0.00001   0.00056  -0.00084  -0.00027   0.67876
    A2        0.95508  -0.00001   0.00102  -0.00176  -0.00074   0.95434
    A3        0.72751  -0.00002   0.00030   0.00036   0.00066   0.72817
    A4        1.01928  -0.00002   0.00046   0.00010   0.00056   1.01984
    A5        2.34391  -0.00001  -0.00138   0.00289   0.00151   2.34542
    A6        2.02678  -0.00001  -0.00298   0.00488   0.00190   2.02868
    A7        1.98503  -0.00001  -0.00510   0.00727   0.00216   1.98719
    A8        1.69199  -0.00001  -0.00554   0.00761   0.00206   1.69405
    A9        1.65590  -0.00002  -0.00217   0.00389   0.00171   1.65762
   A10        1.37520  -0.00002  -0.00271   0.00465   0.00191   1.37711
   A11        1.73020   0.00000   0.00271  -0.00365  -0.00094   1.72926
   A12        2.03544  -0.00001   0.00255  -0.00313  -0.00058   2.03486
   A13        1.94074  -0.00002   0.00187  -0.00195  -0.00008   1.94066
   A14        2.02385  -0.00001   0.00347  -0.00351  -0.00003   2.02381
   A15        2.43001  -0.00001   0.00273  -0.00332  -0.00058   2.42943
   A16        1.57285   0.00005  -0.00986   0.01539   0.00548   1.57833
   A17        1.77459   0.00003  -0.00555   0.00854   0.00300   1.77758
   A18        1.55684   0.00003   0.00019  -0.00054  -0.00038   1.55646
   A19        1.69979   0.00001   0.00059   0.00050   0.00109   1.70087
   A20        2.18202   0.00002  -0.00425   0.00663   0.00241   2.18443
   A21        2.39938   0.00002  -0.00232   0.00401   0.00171   2.40109
   A22        0.64189  -0.00001   0.00015  -0.00035  -0.00020   0.64169
   A23        0.65911  -0.00002   0.00021  -0.00022  -0.00001   0.65910
   A24        2.39238   0.00000  -0.00006   0.00007   0.00002   2.39240
   A25        2.22313  -0.00001  -0.00276   0.00379   0.00103   2.22416
   A26        2.32621  -0.00001  -0.00496   0.00685   0.00188   2.32809
   A27        2.06243  -0.00001  -0.00552   0.00748   0.00195   2.06439
   A28        1.81607  -0.00001  -0.00288   0.00389   0.00101   1.81707
   A29        1.57640  -0.00002  -0.00372   0.00528   0.00153   1.57794
   A30        1.33759   0.00000   0.00224  -0.00316  -0.00091   1.33668
   A31        1.63682  -0.00001   0.00215  -0.00307  -0.00091   1.63591
   A32        1.58609  -0.00002   0.00173  -0.00271  -0.00097   1.58512
   A33        1.73324  -0.00001   0.00350  -0.00470  -0.00119   1.73205
   A34        2.03384  -0.00001   0.00230  -0.00295  -0.00064   2.03320
   A35        1.83292   0.00005  -0.01189   0.01987   0.00795   1.84086
   A36        1.90414   0.00003  -0.00675   0.01215   0.00540   1.90955
   A37        1.55941   0.00003  -0.00285   0.00559   0.00271   1.56212
   A38        1.58195   0.00001  -0.00218   0.00587   0.00369   1.58563
   A39        2.26572   0.00001  -0.00246   0.00576   0.00334   2.26906
   A40        2.35656   0.00001  -0.00034   0.00265   0.00233   2.35889
   A41        0.68778   0.00000   0.00017  -0.00049  -0.00033   0.68745
   A42        0.74415  -0.00001   0.00075  -0.00145  -0.00069   0.74346
   A43        2.65423   0.00001   0.00130  -0.00261  -0.00131   2.65293
   A44        2.60010   0.00000  -0.00232   0.00273   0.00040   2.60051
   A45        2.66263   0.00000  -0.00445   0.00645   0.00200   2.66463
   A46        2.35821   0.00000  -0.00456   0.00665   0.00209   2.36030
   A47        2.19327   0.00000  -0.00266   0.00316   0.00049   2.19375
   A48        1.96029   0.00000  -0.00340   0.00456   0.00114   1.96143
   A49        1.09389  -0.00001   0.00232  -0.00391  -0.00158   1.09232
   A50        1.45397  -0.00001   0.00226  -0.00389  -0.00161   1.45236
   A51        1.55306  -0.00002   0.00212  -0.00401  -0.00189   1.55117
   A52        1.78448  -0.00001   0.00366  -0.00575  -0.00209   1.78239
   A53        1.78171  -0.00001   0.00217  -0.00321  -0.00103   1.78068
   A54        1.69116   0.00004  -0.01342   0.02303   0.00959   1.70075
   A55        1.63358   0.00002  -0.00744   0.01408   0.00664   1.64022
   A56        1.23652   0.00002  -0.00465   0.00905   0.00436   1.24088
   A57        1.20959   0.00000  -0.00315   0.00775   0.00459   1.21418
   A58        1.93576  -0.00001  -0.00182   0.00546   0.00367   1.93942
   A59        1.98054   0.00000  -0.00034   0.00301   0.00269   1.98323
   A60        0.84033   0.00000  -0.00090   0.00156   0.00067   0.84100
   A61        0.77562   0.00000  -0.00063   0.00123   0.00060   0.77621
   A62        2.59735   0.00001   0.00039  -0.00068  -0.00029   2.59705
   A63        2.76688  -0.00001  -0.00300   0.00382   0.00082   2.76770
   A64        2.61507  -0.00001  -0.00291   0.00404   0.00116   2.61623
   A65        2.39355  -0.00002  -0.00402   0.00519   0.00116   2.39471
   A66        2.20007  -0.00002  -0.00442   0.00607   0.00164   2.20171
   A67        0.85279   0.00001   0.00114  -0.00191  -0.00076   0.85203
   A68        1.22939   0.00000   0.00096  -0.00161  -0.00064   1.22875
   A69        1.40779  -0.00001   0.00052  -0.00116  -0.00064   1.40715
   A70        1.67589  -0.00001   0.00166  -0.00236  -0.00070   1.67519
   A71        1.51979   0.00000   0.00126  -0.00156  -0.00030   1.51949
   A72        1.70485   0.00004  -0.01154   0.01966   0.00810   1.71295
   A73        1.54340   0.00003  -0.00579   0.01130   0.00551   1.54891
   A74        1.11616   0.00003  -0.00480   0.00907   0.00424   1.12040
   A75        1.01237   0.00001  -0.00348   0.00800   0.00452   1.01689
   A76        1.76939   0.00001   0.00036   0.00192   0.00230   1.77169
   A77        1.75647   0.00001   0.00097   0.00088   0.00186   1.75833
   A78        1.99337   0.00001   0.00060  -0.00114  -0.00054   1.99283
   A79        1.94006   0.00000  -0.00217   0.00242   0.00025   1.94031
   A80        2.22099  -0.00002  -0.00420   0.00510   0.00090   2.22189
   A81        2.08039  -0.00002  -0.00563   0.00683   0.00120   2.08159
   A82        1.55331  -0.00001  -0.00316   0.00367   0.00050   1.55381
   A83        1.38840  -0.00002  -0.00438   0.00564   0.00124   1.38964
   A84        1.19804   0.00002   0.00158  -0.00147   0.00012   1.19816
   A85        1.38274   0.00001   0.00171  -0.00192  -0.00020   1.38254
   A86        1.21441   0.00000   0.00149  -0.00211  -0.00061   1.21380
   A87        1.31509   0.00000   0.00350  -0.00463  -0.00112   1.31397
   A88        1.80894   0.00000   0.00196  -0.00200  -0.00003   1.80891
   A89        2.26456   0.00004  -0.01166   0.01947   0.00779   2.27235
   A90        2.31449   0.00002  -0.00721   0.01329   0.00608   2.32057
   A91        1.92364   0.00002  -0.00470   0.00891   0.00418   1.92782
   A92        1.85212   0.00001  -0.00451   0.00975   0.00524   1.85736
   A93        2.60929   0.00000  -0.00077   0.00378   0.00306   2.61235
   A94        2.54860   0.00001   0.00170  -0.00017   0.00154   2.55013
   A95        1.91110   0.00001   0.00063  -0.00130  -0.00067   1.91043
   A96        1.99380   0.00000  -0.00229   0.00245   0.00017   1.99397
   A97        2.37153  -0.00001  -0.00376   0.00440   0.00065   2.37218
   A98        2.32838  -0.00002  -0.00585   0.00706   0.00121   2.32959
   A99        1.66728  -0.00001  -0.00402   0.00472   0.00070   1.66798
   A100       1.57561  -0.00002  -0.00528   0.00686   0.00156   1.57718
   A101       0.89083   0.00002   0.00180  -0.00179   0.00002   0.89086
   A102       1.06015   0.00001   0.00189  -0.00233  -0.00043   1.05973
   A103       0.92906   0.00000   0.00151  -0.00241  -0.00089   0.92817
   A104       1.08527   0.00001   0.00324  -0.00454  -0.00130   1.08397
   A105       1.48625   0.00001   0.00214  -0.00240  -0.00025   1.48600
   A106       2.43475   0.00003  -0.01265   0.02153   0.00885   2.44361
   A107       2.31640   0.00002  -0.00622   0.01223   0.00602   2.32242
   A108       1.88563   0.00002  -0.00577   0.01085   0.00505   1.89068
   A109       1.71913   0.00001  -0.00519   0.01061   0.00541   1.72454
   A110       2.44777   0.00000   0.00228  -0.00096   0.00133   2.44911
   A111       2.28486   0.00001   0.00310  -0.00266   0.00044   2.28529
   A112       0.71405   0.00000  -0.00013   0.00005  -0.00009   0.71397
   A113       1.00547   0.00000  -0.00009  -0.00008  -0.00018   1.00530
   A114       0.69524   0.00001   0.00009  -0.00013  -0.00004   0.69520
   A115       0.98253   0.00001   0.00027  -0.00039  -0.00011   0.98242
   A116       1.80614   0.00001   0.00000   0.00040   0.00040   1.80653
   A117       1.42435   0.00002   0.00010   0.00014   0.00023   1.42458
   A118       1.19211   0.00002   0.00000   0.00031   0.00031   1.19241
   A119       0.92160   0.00002  -0.00132   0.00175   0.00043   0.92203
   A120       1.24904   0.00001   0.00027  -0.00042  -0.00016   1.24888
   A121       1.93476  -0.00005   0.01196  -0.02018  -0.00820   1.92656
   A122       1.97489  -0.00003   0.00663  -0.01212  -0.00550   1.96939
   A123       2.32833  -0.00003   0.00258  -0.00510  -0.00249   2.32584
   A124       2.23867   0.00000   0.00093  -0.00370  -0.00277   2.23590
   A125       1.62475  -0.00001   0.00265  -0.00605  -0.00342   1.62133
   A126       1.49521  -0.00001   0.00196  -0.00493  -0.00298   1.49223
   A127       0.65581   0.00000   0.00008  -0.00027  -0.00019   0.65562
   A128       0.66020   0.00001   0.00032  -0.00052  -0.00019   0.66001
   A129       2.17135   0.00001  -0.00102   0.00172   0.00070   2.17205
   A130       1.79780   0.00002  -0.00075   0.00119   0.00044   1.79823
   A131       1.50638   0.00002  -0.00143   0.00210   0.00067   1.50705
   A132       1.21591   0.00002  -0.00223   0.00290   0.00067   1.21658
   A133       1.64233   0.00001   0.00025  -0.00050  -0.00026   1.64207
   A134       1.77850  -0.00003   0.01330  -0.02157  -0.00825   1.77025
   A135       1.97217  -0.00002   0.00867  -0.01494  -0.00627   1.96590
   A136       2.40014  -0.00002   0.00780  -0.01289  -0.00506   2.39509
   A137       2.47337   0.00000   0.00553  -0.01057  -0.00501   2.46836
   A138       1.73262   0.00000   0.00327  -0.00674  -0.00349   1.72914
   A139       1.70169   0.00000   0.00281  -0.00603  -0.00322   1.69847
   A140       0.70425   0.00000   0.00025  -0.00029  -0.00003   0.70422
   A141       0.83259   0.00000   0.00021  -0.00056  -0.00034   0.83225
   A142       2.49661   0.00001   0.00102  -0.00121  -0.00018   2.49642
   A143       2.11647   0.00002   0.00090  -0.00113  -0.00022   2.11625
   A144       1.90194   0.00002  -0.00055   0.00089   0.00035   1.90230
   A145       1.62026   0.00001  -0.00185   0.00235   0.00050   1.62076
   A146       1.83299   0.00001   0.00201  -0.00301  -0.00100   1.83199
   A147       1.35262  -0.00003   0.01326  -0.02142  -0.00814   1.34449
   A148       1.58478  -0.00001   0.00899  -0.01522  -0.00622   1.57856
   A149       2.01481  -0.00002   0.00932  -0.01501  -0.00567   2.00914
   A150       2.18785   0.00000   0.00903  -0.01520  -0.00618   2.18167
   A151       1.43452   0.00001   0.00335  -0.00650  -0.00315   1.43137
   A152       1.50204   0.00001   0.00336  -0.00641  -0.00305   1.49900
   A153       0.76527   0.00000   0.00019  -0.00046  -0.00027   0.76500
   A154       0.76684   0.00001   0.00004  -0.00069  -0.00065   0.76620
   A155       2.80871   0.00000   0.00051  -0.00056  -0.00002   2.80869
   A156       2.42589   0.00001   0.00051  -0.00065  -0.00012   2.42577
   A157       2.16133   0.00001  -0.00154   0.00205   0.00052   2.16185
   A158       1.86958   0.00001  -0.00227   0.00277   0.00051   1.87008
   A159       2.14319   0.00001   0.00233  -0.00339  -0.00105   2.14213
   A160       1.21354  -0.00002   0.01273  -0.01979  -0.00704   1.20650
   A161       1.53144  -0.00001   0.00892  -0.01441  -0.00546   1.52597
   A162       1.92940  -0.00001   0.01061  -0.01644  -0.00581   1.92358
   A163       2.18558   0.00000   0.01064  -0.01661  -0.00597   2.17961
   A164       1.50564   0.00001   0.00319  -0.00550  -0.00230   1.50334
   A165       1.65121   0.00000   0.00353  -0.00596  -0.00242   1.64879
   A166       2.16511   0.00000  -0.00338   0.00496   0.00158   2.16669
   A167       1.86564   0.00001  -0.00279   0.00397   0.00118   1.86682
   A168       1.48174   0.00001  -0.00334   0.00457   0.00124   1.48298
   A169       1.20207   0.00001  -0.00295   0.00390   0.00096   1.20303
   A170       1.87085   0.00001  -0.00126   0.00165   0.00039   1.87124
   A171       1.97805  -0.00001   0.01276  -0.01996  -0.00717   1.97088
   A172       2.27888  -0.00001   0.00930  -0.01542  -0.00612   2.27276
   A173       2.69411  -0.00001   0.01069  -0.01679  -0.00608   2.68803
   A174       2.11952   0.00001   0.00359  -0.00697  -0.00340   2.11613
   A175       2.10906   0.00001   0.00305  -0.00628  -0.00323   2.10582
   A176       2.27413   0.00000  -0.00429   0.00662   0.00232   2.27645
   A177       2.05382   0.00000  -0.00349   0.00528   0.00179   2.05561
   A178       1.64501   0.00000  -0.00391   0.00566   0.00177   1.64677
   A179       1.39244   0.00001  -0.00279   0.00407   0.00128   1.39373
   A180       2.13703   0.00000  -0.00154   0.00227   0.00074   2.13777
   A181       1.90652   0.00001   0.01067  -0.01662  -0.00592   1.90060
   A182       2.27606   0.00000   0.00836  -0.01387  -0.00548   2.27057
   A183       2.59367   0.00000   0.01002  -0.01568  -0.00562   2.58805
   A184       2.25673   0.00002   0.00345  -0.00674  -0.00328   2.25345
   A185       2.32579   0.00001   0.00347  -0.00694  -0.00346   2.32233
   A186       0.69154   0.00000   0.00012   0.00014   0.00024   0.69179
   A187       0.98183  -0.00001   0.00035   0.00004   0.00037   0.98220
   A188       0.70046  -0.00001   0.00001   0.00033   0.00033   0.70079
   A189       2.10232   0.00000  -0.00669   0.01038   0.00372   2.10604
   A190       1.72669   0.00000  -0.00333   0.00593   0.00260   1.72929
   A191       1.39551   0.00001  -0.00690   0.01099   0.00407   1.39958
   A192       1.09250   0.00000  -0.00648   0.01004   0.00355   1.09604
   A193       1.62009  -0.00001   0.00253  -0.00304  -0.00053   1.61955
   A194       1.40266  -0.00001   0.00179  -0.00194  -0.00016   1.40251
   A195       0.66667   0.00000  -0.00018   0.00053   0.00034   0.66701
   A196       2.25267  -0.00002  -0.00200   0.00260   0.00066   2.25333
   A197       1.85642   0.00000  -0.00103   0.00195   0.00092   1.85734
   A198       1.63473  -0.00001  -0.00621   0.00980   0.00358   1.63831
   A199       1.31560  -0.00001  -0.00572   0.00828   0.00255   1.31815
   A200       1.61142  -0.00001   0.00358  -0.00522  -0.00166   1.60976
   A201       1.34006   0.00000   0.00259  -0.00376  -0.00117   1.33889
   A202       0.70914   0.00000   0.00062  -0.00047   0.00015   0.70929
   A203       2.63882  -0.00002   0.00101  -0.00223  -0.00109   2.63773
   A204       2.25309   0.00000   0.00011   0.00024   0.00035   2.25344
   A205       2.04451   0.00000  -0.00614   0.00999   0.00383   2.04834
   A206       1.72587   0.00000  -0.00562   0.00848   0.00284   1.72871
   A207       1.95077   0.00000   0.00424  -0.00639  -0.00218   1.94859
   A208       1.66522   0.00001   0.00316  -0.00481  -0.00167   1.66355
   A209       0.83593  -0.00001  -0.00091   0.00135   0.00043   0.83636
   A210       2.68486  -0.00004   0.00572  -0.01088  -0.00507   2.67979
   A211       2.38574  -0.00001   0.00060  -0.00169  -0.00111   2.38463
   A212       2.28926  -0.00001  -0.00631   0.00991   0.00358   2.29284
   A213       1.97251  -0.00001  -0.00583   0.00834   0.00247   1.97498
   A214       2.01042  -0.00001   0.00232  -0.00470  -0.00241   2.00801
   A215       1.73089  -0.00001   0.00126  -0.00306  -0.00182   1.72907
   A216       1.93254  -0.00002   0.00159  -0.00351  -0.00188   1.93066
   A217       1.56403   0.00000   0.00071  -0.00140  -0.00070   1.56334
   A218       1.48772   0.00000  -0.00471   0.00709   0.00237   1.49010
   A219       1.19472   0.00000  -0.00408   0.00494   0.00084   1.19557
   A220       1.24209   0.00000   0.00359  -0.00584  -0.00228   1.23981
   A221       0.95754   0.00000   0.00250  -0.00422  -0.00173   0.95581
   A222       0.71950   0.00000  -0.00146   0.00227   0.00079   0.72028
   A223       1.01034   0.00000  -0.00045   0.00078   0.00032   1.01066
   A224       0.69793  -0.00002  -0.00023  -0.00014  -0.00040   0.69753
   A225       0.98414  -0.00003   0.00068  -0.00152  -0.00086   0.98327
   A226       0.65559   0.00001   0.00198  -0.00253  -0.00058   0.65502
   A227       0.66486  -0.00001   0.00058  -0.00065  -0.00010   0.66476
   A228       0.70750  -0.00002   0.00118  -0.00083   0.00032   0.70782
   A229       0.84745  -0.00002  -0.00122   0.00285   0.00160   0.84905
   A230       0.75969  -0.00001   0.00475  -0.00728  -0.00258   0.75711
   A231       0.77463   0.00000   0.00186  -0.00311  -0.00130   0.77333
   A232       1.58329   0.00009  -0.00027  -0.00493  -0.00520   1.57809
   A233       1.87050   0.00000  -0.00181   0.00373   0.00192   1.87241
   A234       2.18996   0.00004  -0.00004  -0.00029  -0.00033   2.18963
   A235       2.12955  -0.00003   0.00001   0.00028   0.00029   2.12984
   A236       1.96327  -0.00001   0.00005  -0.00004  -0.00001   1.96326
   A237       2.12447   0.00002   0.00009  -0.00045  -0.00035   2.12412
   A238       2.12666  -0.00003  -0.00003   0.00059   0.00055   2.12721
   A239       2.03161   0.00001  -0.00016  -0.00017  -0.00033   2.03128
   A240       1.84046  -0.00004  -0.00518   0.01004   0.00485   1.84531
   A241       2.53334   0.00008   0.00533  -0.01008  -0.00476   2.52858
   A242       1.91374  -0.00002  -0.00009  -0.00011  -0.00018   1.91357
   A243       1.91595   0.00007   0.00017  -0.00085  -0.00068   1.91527
   A244       1.91367   0.00003   0.00153  -0.00238  -0.00086   1.91280
   A245       1.91103  -0.00003   0.00008  -0.00020  -0.00012   1.91092
   A246       1.90901  -0.00004  -0.00020   0.00013  -0.00007   1.90894
   A247       1.90034  -0.00001  -0.00151   0.00343   0.00192   1.90226
   A248       1.27511   0.00004   0.00385  -0.00601  -0.00216   1.27295
   A249       1.90455  -0.00005   0.00029  -0.00029   0.00000   1.90454
   A250       1.90978   0.00002   0.00011   0.00012   0.00022   1.91000
   A251       1.92756   0.00004  -0.00019  -0.00024  -0.00043   1.92713
   A252       1.91092   0.00001  -0.00002   0.00020   0.00018   1.91110
   A253       1.89831   0.00001  -0.00027   0.00016  -0.00011   1.89820
   A254       1.91260  -0.00003   0.00009   0.00005   0.00014   1.91274
   A255       1.71670   0.00007   0.00260  -0.00248   0.00013   1.71682
   A256       1.76841  -0.00002  -0.00087   0.00063  -0.00024   1.76817
   A257       2.19044   0.00004   0.00018  -0.00035  -0.00018   2.19026
   A258       2.13023  -0.00002  -0.00004   0.00009   0.00005   2.13027
   A259       1.96231  -0.00002  -0.00014   0.00026   0.00013   1.96245
   A260       2.12497   0.00000  -0.00004  -0.00003  -0.00006   2.12491
   A261       2.12311   0.00000   0.00004  -0.00003   0.00001   2.12312
   A262       2.03472   0.00000   0.00007  -0.00001   0.00005   2.03477
   A263       1.34932   0.00003   0.00006  -0.00117  -0.00111   1.34821
   A264       1.90065   0.00000  -0.00033   0.00023  -0.00011   1.90054
   A265       1.93112   0.00001   0.00023  -0.00018   0.00006   1.93118
   A266       1.90992   0.00000   0.00001   0.00010   0.00010   1.91002
   A267       1.89704   0.00000   0.00027  -0.00029  -0.00002   1.89702
   A268       1.91321   0.00001  -0.00003  -0.00010  -0.00013   1.91308
   A269       1.91177  -0.00002  -0.00015   0.00024   0.00009   1.91186
   A270       2.66493   0.00001   0.00075   0.00029   0.00104   2.66597
   A271       1.69866  -0.00001  -0.00086  -0.00019  -0.00105   1.69761
   A272       1.92437  -0.00002   0.00015  -0.00004   0.00010   1.92447
   A273       1.91284   0.00002   0.00010  -0.00040  -0.00027   1.91257
   A274       1.91340   0.00002   0.00008  -0.00016  -0.00008   1.91332
   A275       1.89457   0.00000  -0.00013   0.00022   0.00008   1.89466
   A276       1.91095   0.00000   0.00003  -0.00002   0.00001   1.91096
   A277       1.90753  -0.00002  -0.00024   0.00041   0.00016   1.90768
   A278       1.79537   0.00005   0.00349  -0.00413  -0.00064   1.79473
   A279       1.75951  -0.00004  -0.00197   0.00209   0.00012   1.75964
   A280       2.19045   0.00001  -0.00082   0.00144   0.00061   2.19106
   A281       2.12978   0.00001   0.00083  -0.00148  -0.00065   2.12913
   A282       1.96287  -0.00002   0.00001   0.00001   0.00003   1.96289
   A283       2.12302  -0.00002  -0.00025   0.00035   0.00009   2.12311
   A284       2.11654   0.00002  -0.00063   0.00094   0.00031   2.11685
   A285       2.04100   0.00000   0.00084  -0.00120  -0.00036   2.04064
   A286       2.68379   0.00006   0.00763  -0.00868  -0.00105   2.68273
   A287       1.67520  -0.00005  -0.00732   0.00832   0.00101   1.67620
   A288       1.92582   0.00000   0.00031  -0.00019   0.00010   1.92592
   A289       1.91636  -0.00001  -0.00075   0.00094   0.00018   1.91654
   A290       1.91260  -0.00001  -0.00009  -0.00023  -0.00031   1.91229
   A291       1.88992   0.00002   0.00082  -0.00099  -0.00016   1.88977
   A292       1.91280  -0.00001  -0.00004   0.00006   0.00003   1.91283
   A293       1.90609   0.00001  -0.00024   0.00040   0.00017   1.90625
   A294       1.36558  -0.00003  -0.00696   0.00619  -0.00077   1.36481
   A295       1.14307   0.00003   0.00493  -0.00434   0.00059   1.14365
   A296       1.93111   0.00000   0.00081  -0.00072   0.00007   1.93119
   A297       1.90728  -0.00003  -0.00024   0.00028   0.00006   1.90734
   A298       1.90326   0.00002  -0.00078   0.00063  -0.00013   1.90313
   A299       1.90993   0.00003  -0.00016   0.00009  -0.00008   1.90985
   A300       1.89672  -0.00001   0.00073  -0.00078  -0.00005   1.89667
   A301       1.91549   0.00000  -0.00036   0.00050   0.00012   1.91560
   A302       1.70030  -0.00019   0.00966  -0.01322  -0.00358   1.69672
   A303       1.77559   0.00005  -0.00120   0.00639   0.00521   1.78080
   A304       2.19119  -0.00011   0.00031  -0.00030  -0.00006   2.19113
   A305       2.12954   0.00005   0.00051  -0.00119  -0.00065   2.12889
   A306       1.96217   0.00006  -0.00082   0.00151   0.00072   1.96289
   A307       2.12332   0.00006  -0.00004   0.00000   0.00001   2.12333
   A308       2.12321  -0.00001  -0.00062   0.00028  -0.00035   2.12285
   A309       2.03538  -0.00005   0.00116  -0.00094   0.00026   2.03564
   A310       1.29911   0.00000   0.01653  -0.03262  -0.01625   1.28286
   A311       3.05919   0.00000  -0.01789   0.03405   0.01629   3.07548
   A312       1.90987   0.00001  -0.00057  -0.00061  -0.00117   1.90870
   A313       1.93217  -0.00002  -0.00082  -0.00458  -0.00454   1.92763
   A314       1.89981   0.00010   0.00160  -0.00294  -0.00134   1.89847
   A315       1.91052   0.00000   0.00113   0.00156   0.00232   1.91284
   A316       1.91160  -0.00002  -0.00078   0.00176   0.00088   1.91248
   A317       1.89973  -0.00006  -0.00057   0.00486   0.00388   1.90361
   A318       1.75012   0.00000  -0.01389   0.02074   0.00687   1.75698
   A319       1.91487  -0.00004  -0.00093   0.00122   0.00029   1.91517
   A320       1.91519   0.00001  -0.00071   0.00052  -0.00018   1.91501
   A321       1.92235   0.00001   0.00158  -0.00182  -0.00025   1.92210
   A322       1.90647  -0.00002  -0.00064   0.00041  -0.00023   1.90624
   A323       1.90983   0.00002   0.00078  -0.00084  -0.00006   1.90977
   A324       1.89492   0.00001  -0.00010   0.00052   0.00042   1.89534
   A325       2.94011  -0.00002  -0.00409   0.00551   0.00142   2.94153
   A326       3.35569  -0.00001  -0.00158   0.00439   0.00280   3.35849
   A327       3.07498  -0.00001  -0.00212   0.00515   0.00300   3.07799
   A328       3.18771   0.00002   0.00394  -0.00596  -0.00202   3.18569
   A329       3.26110   0.00001  -0.00009  -0.00093  -0.00102   3.26007
   A330       3.27551  -0.00001  -0.00712   0.00628  -0.00085   3.27466
   A331       3.65995   0.00003  -0.01311   0.01990   0.00681   3.66676
   A332       3.21639   0.00000  -0.00341   0.00395   0.00055   3.21694
   A333       2.98520   0.00000   0.00981  -0.01535  -0.00554   2.97966
   A334       2.91826   0.00001   0.01119  -0.01743  -0.00624   2.91203
   A335       3.22645   0.00002   0.00062  -0.00002   0.00060   3.22705
   A336       3.07819   0.00000   0.00048  -0.00013   0.00034   3.07853
   A337       3.09808   0.00002   0.00262  -0.00246   0.00016   3.09824
   A338       3.04027   0.00002  -0.00098   0.00149   0.00049   3.04076
    D1        2.75872   0.00001  -0.00031   0.00140   0.00110   2.75982
    D2       -1.36077   0.00001  -0.00080   0.00065  -0.00015  -1.36091
    D3        2.78552   0.00000  -0.00235   0.00590   0.00355   2.78907
    D4       -1.33397   0.00000  -0.00284   0.00515   0.00231  -1.33166
    D5        1.66421  -0.00001   0.00001   0.00202   0.00202   1.66624
    D6       -2.45528  -0.00001  -0.00048   0.00127   0.00078  -2.45449
    D7        1.84780  -0.00001  -0.00111   0.00398   0.00287   1.85066
    D8       -2.27169  -0.00001  -0.00160   0.00323   0.00163  -2.27007
    D9        0.32977  -0.00002  -0.00347   0.00783   0.00435   0.33413
   D10        2.49347  -0.00001  -0.00396   0.00708   0.00311   2.49658
   D11        0.03969  -0.00001   0.00000   0.00345   0.00344   0.04313
   D12        2.20339  -0.00001  -0.00049   0.00269   0.00219   2.20558
   D13       -0.43087   0.00000   0.00106   0.00195   0.00300  -0.42786
   D14        1.73283   0.00000   0.00057   0.00120   0.00176   1.73459
   D15       -0.55284  -0.00001   0.00224   0.00096   0.00320  -0.54964
   D16        1.61086   0.00000   0.00175   0.00021   0.00196   1.61282
   D17        0.21592   0.00000   0.00226   0.00081   0.00307   0.21899
   D18        2.37962   0.00000   0.00177   0.00006   0.00183   2.38145
   D19        0.14899   0.00000   0.00364  -0.00127   0.00237   0.15136
   D20        2.31269   0.00000   0.00315  -0.00202   0.00113   2.31382
   D21        2.40902   0.00000  -0.00121   0.00616   0.00494   2.41397
   D22       -1.71046   0.00000  -0.00170   0.00540   0.00370  -1.70676
   D23        2.16464   0.00000  -0.00148   0.00672   0.00525   2.16989
   D24       -1.95485   0.00000  -0.00197   0.00597   0.00401  -1.95084
   D25        1.72402  -0.00001  -0.00205   0.00709   0.00505   1.72907
   D26       -2.39547  -0.00001  -0.00254   0.00634   0.00381  -2.39166
   D27        1.41760   0.00000  -0.00246   0.00741   0.00498   1.42258
   D28       -2.70189   0.00000  -0.00294   0.00666   0.00373  -2.69815
   D29        2.37292  -0.00002  -0.00073   0.00646   0.00573   2.37865
   D30       -1.74657  -0.00002  -0.00122   0.00571   0.00449  -1.74208
   D31       -1.76389   0.00000  -0.00960   0.01926   0.00968  -1.75421
   D32        0.39981   0.00000  -0.01009   0.01851   0.00844   0.40825
   D33       -2.10833   0.00001  -0.00516   0.01320   0.00804  -2.10029
   D34        0.05537   0.00001  -0.00565   0.01245   0.00680   0.06217
   D35       -2.48323   0.00001  -0.00829   0.01736   0.00905  -2.47418
   D36       -0.31953   0.00001  -0.00878   0.01661   0.00781  -0.31173
   D37       -2.76927   0.00000  -0.00754   0.01616   0.00861  -2.76066
   D38       -0.60558   0.00000  -0.00803   0.01541   0.00737  -0.59821
   D39       -2.12889  -0.00001   0.00272   0.00154   0.00427  -2.12462
   D40        0.03481  -0.00001   0.00223   0.00078   0.00303   0.03783
   D41       -2.37890  -0.00001   0.00417  -0.00036   0.00383  -2.37508
   D42       -0.21521  -0.00001   0.00368  -0.00111   0.00258  -0.21262
   D43        1.25596   0.00003   0.00269  -0.00669  -0.00400   1.25196
   D44       -1.92184   0.00001   0.00000  -0.00237  -0.00237  -1.92421
   D45        2.45301  -0.00002   0.00263  -0.00493  -0.00231   2.45069
   D46       -0.72480  -0.00004  -0.00006  -0.00061  -0.00068  -0.72548
   D47        2.94102  -0.00002   0.00190  -0.00348  -0.00158   2.93943
   D48       -0.23679  -0.00004  -0.00079   0.00085   0.00005  -0.23674
   D49        2.86344   0.00001  -0.00116   0.00186   0.00071   2.86415
   D50       -0.31437  -0.00001  -0.00385   0.00618   0.00234  -0.31203
   D51        2.05169   0.00000   0.00094   0.00014   0.00105   2.05274
   D52       -1.12611  -0.00002  -0.00175   0.00446   0.00268  -1.12343
   D53        1.16051   0.00001   0.00599  -0.00648  -0.00046   1.16005
   D54       -2.01729  -0.00001   0.00330  -0.00216   0.00117  -2.01612
   D55        1.01571   0.00001   0.00726  -0.00872  -0.00144   1.01427
   D56       -2.16209  -0.00001   0.00457  -0.00440   0.00019  -2.16190
   D57        2.01919   0.00001   0.00464  -0.00567  -0.00104   2.01815
   D58       -1.15861  -0.00001   0.00195  -0.00135   0.00059  -1.15802
   D59        1.82372   0.00002   0.00573  -0.00780  -0.00207   1.82165
   D60       -1.35408  -0.00001   0.00304  -0.00348  -0.00044  -1.35453
   D61       -2.27625   0.00001   0.00235  -0.00239  -0.00005  -2.27629
   D62        0.82914  -0.00001  -0.00034   0.00193   0.00158   0.83072
   D63       -2.41367   0.00001   0.00259  -0.00327  -0.00069  -2.41436
   D64        0.69171  -0.00001  -0.00011   0.00105   0.00094   0.69265
   D65       -2.81573   0.00000   0.00233  -0.00327  -0.00093  -2.81665
   D66        0.28966  -0.00002  -0.00036   0.00106   0.00070   0.29036
   D67       -2.99604   0.00002   0.00349  -0.00479  -0.00129  -2.99733
   D68        0.10934   0.00000   0.00080  -0.00047   0.00034   0.10968
   D69       -2.13966   0.00001   0.00313  -0.00428  -0.00115  -2.14081
   D70        0.96572  -0.00002   0.00044   0.00005   0.00048   0.96620
   D71       -0.16774  -0.00001   0.00148  -0.00213  -0.00062  -0.16836
   D72        2.93764  -0.00003  -0.00122   0.00220   0.00101   2.93866
   D73       -0.56234   0.00001   0.00238  -0.00289  -0.00051  -0.56285
   D74        2.54305  -0.00001  -0.00031   0.00143   0.00112   2.54416
   D75       -0.73380   0.00001  -0.00418   0.00721   0.00303  -0.73077
   D76        2.37158  -0.00001  -0.00687   0.01153   0.00466   2.37624
   D77       -1.07224   0.00001  -0.00427   0.00673   0.00245  -1.06979
   D78        2.03314  -0.00001  -0.00696   0.01105   0.00408   2.03722
   D79       -0.84393   0.00000   0.00751  -0.01102  -0.00354  -0.84747
   D80        2.26145  -0.00002   0.00482  -0.00670  -0.00191   2.25954
   D81       -1.14968   0.00000   0.00669  -0.01019  -0.00351  -1.15319
   D82        1.95570  -0.00002   0.00400  -0.00586  -0.00188   1.95382
   D83       -1.53766   0.00001   0.00156  -0.00260  -0.00104  -1.53870
   D84       -2.61187  -0.00002   0.00094  -0.00121  -0.00027  -2.61213
   D85       -2.94780   0.00000  -0.00081   0.00214   0.00134  -2.94645
   D86        0.73606  -0.00001  -0.00134   0.00298   0.00165   0.73771
   D87        0.31212  -0.00001  -0.00061   0.00222   0.00161   0.31374
   D88       -0.06070  -0.00001  -0.00200   0.00422   0.00221  -0.05850
   D89       -0.39957   0.00000  -0.00013   0.00193   0.00180  -0.39777
   D90        0.18116   0.00000   0.00181  -0.00094   0.00086   0.18202
   D91       -0.05704   0.00000   0.00231  -0.00189   0.00041  -0.05662
   D92        2.40570   0.00000  -0.00089   0.00323   0.00235   2.40804
   D93        2.05578   0.00001  -0.00054   0.00251   0.00198   2.05777
   D94        1.66343   0.00001  -0.00056   0.00254   0.00199   1.66542
   D95        1.37507   0.00001  -0.00011   0.00171   0.00162   1.37669
   D96        2.05660   0.00000  -0.00017   0.00155   0.00139   2.05799
   D97       -1.91406   0.00001  -0.00740   0.01414   0.00672  -1.90734
   D98       -2.44028   0.00002  -0.00046   0.00354   0.00310  -2.43717
   D99       -2.65738   0.00001  -0.00573   0.01072   0.00499  -2.65239
   D100      -2.98495   0.00001  -0.00475   0.00785   0.00309  -2.98185
   D101      -2.90065   0.00001   0.01036  -0.01405  -0.00373  -2.90438
   D102       2.85263   0.00001   0.00683  -0.01084  -0.00405   2.84858
   D103      -2.91308   0.00000   0.00939  -0.01117  -0.00177  -2.91485
   D104       1.18490   0.00000   0.00881  -0.01060  -0.00179   1.18311
   D105       2.79856   0.00001   0.00944  -0.01229  -0.00286   2.79571
   D106       0.61336   0.00001   0.00885  -0.01172  -0.00287   0.61049
   D107       2.30077  -0.00001   0.01033  -0.01385  -0.00352   2.29725
   D108       0.11557  -0.00001   0.00975  -0.01328  -0.00354   0.11203
   D109       1.74553   0.00002   0.00910  -0.01150  -0.00240   1.74312
   D110      -0.43968   0.00002   0.00852  -0.01093  -0.00242  -0.44210
   D111       2.58220   0.00002   0.00795  -0.00965  -0.00171   2.58049
   D112       0.39700   0.00002   0.00736  -0.00909  -0.00172   0.39528
   D113       2.24506   0.00002   0.00808  -0.00990  -0.00183   2.24323
   D114       0.05985   0.00002   0.00749  -0.00933  -0.00184   0.05801
   D115      -1.61283  -0.00002   0.00089  -0.00062   0.00027  -1.61256
   D116       2.48515  -0.00002   0.00030  -0.00005   0.00026   2.48541
   D117      -1.77458  -0.00001   0.00081  -0.00083  -0.00002  -1.77460
   D118       2.32341  -0.00001   0.00023  -0.00026  -0.00004   2.32337
   D119      -2.73544  -0.00002   0.00041  -0.00018   0.00023  -2.73522
   D120       1.36254  -0.00002  -0.00017   0.00039   0.00021   1.36275
   D121      -2.69945  -0.00002   0.00081  -0.00012   0.00068  -2.69877
   D122       1.39853  -0.00002   0.00022   0.00045   0.00067   1.39919
   D123       1.31904  -0.00001   0.00614  -0.00807  -0.00193   1.31711
   D124      -0.86616   0.00000   0.00556  -0.00750  -0.00195  -0.86811
   D125       1.28846   0.00000   0.00613  -0.00788  -0.00175   1.28671
   D126      -0.89674   0.00000   0.00555  -0.00731  -0.00176  -0.89850
   D127       1.64323   0.00001   0.00639  -0.00796  -0.00157   1.64166
   D128      -0.54197   0.00001   0.00581  -0.00739  -0.00159  -0.54355
   D129       1.77208  -0.00001   0.00418  -0.00519  -0.00101   1.77107
   D130      -0.41312   0.00000   0.00360  -0.00462  -0.00103  -0.41415
   D131       0.88834   0.00001   0.00578  -0.00753  -0.00175   0.88659
   D132      -1.29686   0.00001   0.00520  -0.00696  -0.00177  -1.29863
   D133      -0.95815   0.00002   0.00677  -0.00837  -0.00162  -0.95977
   D134       3.13983   0.00002   0.00619  -0.00780  -0.00163   3.13820
   D135      -0.53159  -0.00001   0.00749  -0.01058  -0.00308  -0.53466
   D136      -2.71679   0.00000   0.00691  -0.01001  -0.00309  -2.71988
   D137      -0.23170  -0.00002   0.01521  -0.02263  -0.00742  -0.23911
   D138      -2.41690  -0.00001   0.01463  -0.02207  -0.00743  -2.42433
   D139       0.17476  -0.00001   0.01451  -0.02155  -0.00701   0.16775
   D140      -2.01044  -0.00001   0.01393  -0.02098  -0.00703  -2.01747
   D141      -0.31549   0.00001   0.00289  -0.00349  -0.00058  -0.31607
   D142      -2.50069   0.00001   0.00230  -0.00292  -0.00059  -2.50129
   D143      -0.05984   0.00000   0.00378  -0.00473  -0.00095  -0.06079
   D144      -2.24504   0.00000   0.00319  -0.00416  -0.00096  -2.24601
   D145      -2.47746  -0.00001   0.00404  -0.00340   0.00063  -2.47684
   D146      -2.72923  -0.00001   0.00421  -0.00508  -0.00088  -2.73011
   D147      -2.41204   0.00000   0.00168  -0.00340  -0.00175  -2.41379
   D148       2.99722   0.00001   0.00636  -0.00784  -0.00147   2.99575
   D149       2.61266   0.00003   0.00834  -0.01062  -0.00224   2.61041
   D150       1.51739  -0.00002   0.00029   0.00039   0.00067   1.51806
   D151       2.61836   0.00000   0.00036   0.00033   0.00068   2.61904
   D152       2.99235  -0.00001   0.00064   0.00028   0.00092   2.99326
   D153       1.17392   0.00000   0.00863  -0.01153  -0.00291   1.17101
   D154       1.23833   0.00000   0.00626  -0.00791  -0.00166   1.23667
   D155       1.62985   0.00001   0.00567  -0.00678  -0.00111   1.62874
   D156       1.71074   0.00000   0.00267  -0.00294  -0.00028   1.71047
   D157       0.89013   0.00000   0.00459  -0.00565  -0.00107   0.88907
   D158      -1.00199   0.00003   0.00037   0.00206   0.00244  -0.99955
   D159      -0.67741   0.00001   0.00139  -0.00008   0.00133  -0.67608
   D160      -0.71319   0.00001   0.00634  -0.00804  -0.00169  -0.71488
   D161      -0.40119  -0.00001   0.00762  -0.00859  -0.00097  -0.40216
   D162      -0.29716   0.00001   0.00012   0.00205   0.00220  -0.29496
   D163      -0.01727   0.00000   0.00117   0.00053   0.00170  -0.01557
   D164      -1.29273  -0.00001   0.00635  -0.00789  -0.00155  -1.29428
   D165       1.65944  -0.00001   0.00543  -0.00713  -0.00170   1.65773
   D166      -1.66399  -0.00001   0.00573  -0.00795  -0.00223  -1.66621
   D167       1.28818  -0.00001   0.00482  -0.00719  -0.00238   1.28580
   D168      -1.74357  -0.00001   0.00511  -0.00807  -0.00296  -1.74652
   D169       1.20860  -0.00001   0.00420  -0.00731  -0.00311   1.20549
   D170      -1.99988   0.00001   0.00333  -0.00485  -0.00153  -2.00141
   D171       0.95229   0.00001   0.00241  -0.00409  -0.00168   0.95060
   D172      -2.01372   0.00001   0.00624  -0.00832  -0.00208  -2.01580
   D173       0.93845   0.00001   0.00533  -0.00756  -0.00223   0.93622
   D174      -2.31658   0.00001   0.00617  -0.00842  -0.00225  -2.31883
   D175       0.63559   0.00001   0.00526  -0.00766  -0.00240   0.63319
   D176       1.97614  -0.00002   0.00008  -0.00038  -0.00030   1.97584
   D177      -1.35488  -0.00002  -0.00084   0.00038  -0.00045  -1.35533
   D178       0.82900  -0.00001   0.00058  -0.00078  -0.00021   0.82879
   D179      -2.50202  -0.00001  -0.00034  -0.00002  -0.00036  -2.50238
   D180       0.36451   0.00000   0.00059  -0.00094  -0.00035   0.36416
   D181      -2.96651  -0.00001  -0.00032  -0.00018  -0.00050  -2.96701
   D182      -3.11614   0.00000   0.00544  -0.00749  -0.00204  -3.11818
   D183      -0.16397   0.00000   0.00453  -0.00672  -0.00219  -0.16616
   D184       2.90077   0.00000   0.00521  -0.00714  -0.00194   2.89883
   D185      -0.43025   0.00000   0.00429  -0.00638  -0.00209  -0.43234
   D186       3.05493   0.00001   0.00450  -0.00594  -0.00144   3.05348
   D187      -0.27609   0.00001   0.00359  -0.00518  -0.00159  -0.27769
   D188       2.96629   0.00000   0.00147  -0.00224  -0.00076   2.96553
   D189      -0.36472   0.00000   0.00056  -0.00148  -0.00092  -0.36564
   D190       2.45470   0.00001   0.00524  -0.00747  -0.00223   2.45247
   D191      -0.87632   0.00001   0.00433  -0.00671  -0.00238  -0.87870
   D192       0.31712   0.00004  -0.00419   0.00860   0.00443   0.32155
   D193      -3.01389   0.00004  -0.00511   0.00936   0.00428  -3.00962
   D194       0.62545   0.00001   0.00032   0.00135   0.00171   0.62716
   D195      -2.70557   0.00001  -0.00059   0.00211   0.00156  -2.70401
   D196       0.42396   0.00002   0.00635  -0.00750  -0.00122   0.42274
   D197      -2.90706   0.00002   0.00544  -0.00674  -0.00137  -2.90843
   D198       1.09232   0.00000   0.00101  -0.00016   0.00089   1.09321
   D199      -2.23869   0.00000   0.00010   0.00061   0.00074  -2.23796
   D200       1.42717   0.00000   0.00297  -0.00339  -0.00041   1.42676
   D201      -1.90385   0.00000   0.00206  -0.00263  -0.00056  -1.90441
   D202       1.60428   0.00003   0.00238  -0.00425  -0.00187   1.60240
   D203      -0.60683   0.00001   0.00088  -0.00182  -0.00095  -0.60778
   D204       1.67731   0.00003   0.00214  -0.00247  -0.00033   1.67698
   D205      -0.53380   0.00001   0.00064  -0.00004   0.00060  -0.53320
   D206       1.35964   0.00002   0.00189  -0.00124   0.00064   1.36029
   D207      -0.85146   0.00000   0.00039   0.00119   0.00157  -0.84989
   D208       1.19436   0.00003   0.00376  -0.00416  -0.00040   1.19395
   D209      -1.01675   0.00002   0.00225  -0.00173   0.00052  -1.01623
   D210       2.10950   0.00002   0.00150  -0.00123   0.00026   2.10976
   D211      -0.10161   0.00000   0.00000   0.00120   0.00119  -0.10042
   D212       2.22666   0.00001   0.00143  -0.00069   0.00073   2.22739
   D213       0.01555   0.00000  -0.00007   0.00174   0.00166   0.01721
   D214      -2.23562   0.00002   0.00231  -0.00275  -0.00044  -2.23606
   D215       1.83646   0.00001   0.00081  -0.00032   0.00049   1.83695
   D216      -2.39960   0.00002   0.00005   0.00041   0.00046  -2.39913
   D217       1.67248   0.00000  -0.00145   0.00284   0.00139   1.67387
   D218      -2.00684   0.00001  -0.00316   0.00504   0.00189  -2.00495
   D219       2.06524   0.00000  -0.00467   0.00747   0.00282   2.06806
   D220      -2.11137   0.00002  -0.01139   0.01587   0.00451  -2.10686
   D221       1.96071   0.00000  -0.01289   0.01830   0.00544   1.96615
   D222      -2.89391   0.00001   0.00058  -0.00050   0.00007  -2.89384
   D223       1.17817  -0.00001  -0.00092   0.00192   0.00100   1.17916
   D224       3.05300   0.00001   0.00082  -0.00081  -0.00001   3.05299
   D225       0.84189  -0.00001  -0.00068   0.00162   0.00092   0.84281
   D226      -2.71826  -0.00001   0.00199  -0.00289  -0.00091  -2.71917
   D227       1.35382  -0.00002   0.00049  -0.00047   0.00002   1.35384
   D228      -2.66831   0.00001   0.00474  -0.00608  -0.00134  -2.66965
   D229       1.40377   0.00000   0.00324  -0.00366  -0.00042   1.40335
   D230      -1.57389   0.00001   0.00298  -0.00407  -0.00109  -1.57498
   D231       2.49819  -0.00001   0.00148  -0.00164  -0.00016   2.49803
   D232      -0.06361  -0.00003   0.01381  -0.02248  -0.00860  -0.07221
   D233      -2.27472  -0.00005   0.01231  -0.02005  -0.00767  -2.28239
   D234      -0.20144   0.00000   0.00825  -0.01354  -0.00530  -0.20674
   D235      -2.41255  -0.00002   0.00675  -0.01111  -0.00438  -2.41692
   D236       0.07632   0.00000   0.00387  -0.00622  -0.00233   0.07399
   D237      -2.13478  -0.00002   0.00237  -0.00379  -0.00141  -2.13619
   D238      -0.02996   0.00002   0.00394  -0.00796  -0.00403  -0.03400
   D239      -2.24107   0.00000   0.00244  -0.00553  -0.00311  -2.24418
   D240      -0.59742   0.00002   0.00566  -0.00970  -0.00406  -0.60149
   D241      -2.80853   0.00000   0.00416  -0.00727  -0.00314  -2.81167
   D242      -0.78458   0.00002   0.00483  -0.00850  -0.00367  -0.78826
   D243      -2.99569   0.00000   0.00333  -0.00607  -0.00275  -2.99844
   D244      -2.93218   0.00001  -0.00235   0.00185  -0.00050  -2.93268
   D245      -0.01183   0.00001  -0.00132   0.00083  -0.00050  -0.01233
   D246      -3.12013   0.00001  -0.00307   0.00381   0.00074  -3.11940
   D247      -0.19978   0.00001  -0.00205   0.00278   0.00073  -0.19904
   D248       2.78055   0.00000  -0.00344   0.00464   0.00121   2.78175
   D249      -0.58229   0.00000  -0.00241   0.00361   0.00121  -0.58108
   D250       2.54384   0.00001  -0.00284   0.00365   0.00081   2.54465
   D251      -0.81899   0.00001  -0.00181   0.00262   0.00081  -0.81818
   D252      -2.88975   0.00001  -0.00382   0.00550   0.00169  -2.88806
   D253       0.03060   0.00001  -0.00279   0.00447   0.00169   0.03229
   D254      -3.06383   0.00002  -0.00324   0.00492   0.00169  -3.06213
   D255      -0.14347   0.00002  -0.00221   0.00389   0.00169  -0.14178
   D256      -0.65136   0.00001  -0.00421   0.00543   0.00122  -0.65014
   D257       2.26899   0.00001  -0.00318   0.00440   0.00122   2.27021
   D258      -0.89657   0.00000  -0.00592   0.00773   0.00181  -0.89475
   D259       2.02378   0.00000  -0.00489   0.00670   0.00181   2.02560
   D260      -0.73054  -0.00001  -0.00798   0.01047   0.00249  -0.72806
   D261       2.18981  -0.00001  -0.00695   0.00944   0.00249   2.19230
   D262      -0.93228  -0.00001  -0.00957   0.01230   0.00273  -0.92955
   D263       1.98807  -0.00001  -0.00854   0.01127   0.00272   1.99080
   D264      -1.30445   0.00000  -0.00610   0.00792   0.00182  -1.30263
   D265       1.61591   0.00000  -0.00507   0.00689   0.00182   1.61773
   D266      -1.54258  -0.00001  -0.00675   0.00899   0.00223  -1.54035
   D267       1.37778  -0.00001  -0.00572   0.00796   0.00223   1.38000
   D268       1.98303  -0.00002  -0.00455   0.00539   0.00084   1.98386
   D269      -1.37981  -0.00002  -0.00353   0.00436   0.00084  -1.37897
   D270       0.86047   0.00000  -0.00400   0.00457   0.00056   0.86104
   D271      -2.50236  -0.00001  -0.00297   0.00354   0.00056  -2.50180
   D272       0.99103  -0.00005   0.02057  -0.03566  -0.01508   0.97595
   D273      -2.37180  -0.00005   0.02160  -0.03669  -0.01509  -2.38688
   D274       1.14325  -0.00001   0.00443  -0.01025  -0.00583   1.13742
   D275      -2.21958  -0.00001   0.00546  -0.01128  -0.00583  -2.22541
   D276       1.59721  -0.00001  -0.00068  -0.00121  -0.00186   1.59535
   D277      -1.76562  -0.00001   0.00035  -0.00224  -0.00186  -1.76748
   D278       1.57858   0.00000  -0.00103  -0.00185  -0.00289   1.57569
   D279      -1.78425   0.00000   0.00000  -0.00288  -0.00289  -1.78715
   D280       0.82287   0.00001  -0.00299   0.00133  -0.00166   0.82121
   D281      -2.53996   0.00001  -0.00196   0.00030  -0.00166  -2.54163
   D282       0.79983   0.00000  -0.00339   0.00210  -0.00128   0.79855
   D283      -2.56300   0.00000  -0.00236   0.00107  -0.00128  -2.56429
   D284       1.57314   0.00003   0.00276  -0.00342  -0.00067   1.57247
   D285      -2.64518   0.00003   0.00431  -0.00463  -0.00032  -2.64550
   D286       1.63707   0.00001   0.00280  -0.00149   0.00131   1.63837
   D287      -2.58126   0.00001   0.00436  -0.00271   0.00166  -2.57960
   D288       1.32904   0.00000   0.00221   0.00011   0.00231   1.33135
   D289      -2.88929   0.00001   0.00376  -0.00110   0.00266  -2.88663
   D290       1.23919   0.00001   0.00381  -0.00258   0.00123   1.24043
   D291      -2.97913   0.00001   0.00537  -0.00379   0.00158  -2.97755
   D292       2.03476   0.00001   0.00274  -0.00089   0.00185   2.03660
   D293      -2.18357   0.00001   0.00429  -0.00210   0.00219  -2.18137
   D294       2.01600   0.00001   0.00312  -0.00127   0.00185   2.01785
   D295      -2.20232   0.00001   0.00467  -0.00248   0.00220  -2.20013
   D296      -2.30515   0.00002   0.00289  -0.00163   0.00126  -2.30389
   D297      -0.24029   0.00002   0.00445  -0.00284   0.00161  -0.23868
   D298      -2.27727   0.00001   0.00090   0.00113   0.00203  -2.27524
   D299      -0.21240   0.00001   0.00245  -0.00008   0.00237  -0.21003
   D300      -1.88798   0.00000   0.00015   0.00215   0.00230  -1.88568
   D301       0.17688   0.00000   0.00170   0.00094   0.00265   0.17953
   D302      -1.82412   0.00000  -0.00136   0.00394   0.00259  -1.82154
   D303       0.24074   0.00000   0.00019   0.00273   0.00293   0.24367
   D304      -2.62133   0.00000  -0.00037   0.00285   0.00248  -2.61885
   D305      -0.55647   0.00000   0.00119   0.00164   0.00282  -0.55365
   D306      -2.74455  -0.00001  -0.00162   0.00510   0.00347  -2.74108
   D307      -0.67969  -0.00001  -0.00006   0.00389   0.00381  -0.67587
   D308       1.51783   0.00000   0.00352  -0.00297   0.00055   1.51838
   D309      -2.70050   0.00000   0.00507  -0.00418   0.00090  -2.69960
   D310       2.61878  -0.00001   0.00325  -0.00262   0.00062   2.61940
   D311      -1.59955  -0.00001   0.00480  -0.00383   0.00097  -1.59858
   D312       2.99882   0.00000   0.00512  -0.00466   0.00046   2.99927
   D313      -1.21951   0.00000   0.00667  -0.00587   0.00080  -1.21870
   D314      -0.45569  -0.00003   0.01570  -0.02303  -0.00732  -0.46301
   D315       1.60917  -0.00003   0.01725  -0.02424  -0.00697   1.60220
   D316      -0.30452  -0.00001   0.00965  -0.01397  -0.00432  -0.30884
   D317       1.76034  -0.00001   0.01121  -0.01518  -0.00398   1.75636
   D318       0.12063  -0.00002   0.00866  -0.01167  -0.00300   0.11764
   D319       2.18549  -0.00002   0.01021  -0.01288  -0.00265   2.18284
   D320       0.25106   0.00000   0.00902  -0.01300  -0.00400   0.24706
   D321       2.31592   0.00000   0.01057  -0.01421  -0.00365   2.31227
   D322      -0.55971   0.00001   0.00434  -0.00596  -0.00163  -0.56134
   D323       1.50515   0.00001   0.00590  -0.00717  -0.00128   1.50387
   D324      -0.59666   0.00000   0.00414  -0.00587  -0.00173  -0.59839
   D325       1.46820   0.00000   0.00570  -0.00708  -0.00138   1.46681
   D326       0.07106  -0.00001  -0.01540   0.02310   0.00777   0.07883
   D327       2.25208  -0.00001  -0.01186   0.01923   0.00742   2.25950
   D328       0.37759  -0.00001  -0.01354   0.01976   0.00625   0.38384
   D329       2.55861   0.00000  -0.01001   0.01588   0.00590   2.56452
   D330       0.74141   0.00000  -0.01466   0.02177   0.00712   0.74853
   D331       2.92243   0.00001  -0.01113   0.01789   0.00677   2.92920
   D332       1.02006  -0.00002  -0.01482   0.02200   0.00717   1.02723
   D333      -3.08210  -0.00001  -0.01129   0.01813   0.00683  -3.07527
   D334       0.31800  -0.00002  -0.00959   0.01253   0.00301   0.32101
   D335       2.49902  -0.00001  -0.00605   0.00866   0.00266   2.50168
   D336       0.70716  -0.00001  -0.01376   0.01955   0.00577   0.71293
   D337       2.88819  -0.00001  -0.01023   0.01567   0.00542   2.89361
   D338      -2.34494  -0.00001  -0.01322   0.01963   0.00642  -2.33851
   D339      -0.16391   0.00000  -0.00968   0.01575   0.00608  -0.15784
   D340      -1.96700  -0.00001  -0.01132   0.01678   0.00544  -1.96156
   D341       0.21402   0.00000  -0.00778   0.01290   0.00509   0.21911
   D342      -1.92418   0.00001  -0.01114   0.01726   0.00610  -1.91808
   D343       0.25685   0.00002  -0.00760   0.01338   0.00575   0.26260
   D344      -1.62837   0.00001  -0.01246   0.01984   0.00733  -1.62104
   D345       0.55265   0.00002  -0.00893   0.01597   0.00699   0.55964
   D346      -1.59334  -0.00002  -0.00910   0.01304   0.00388  -1.58946
   D347       0.58769  -0.00001  -0.00556   0.00916   0.00353   0.59122
   D348      -1.29314  -0.00001  -0.00803   0.01150   0.00341  -1.28973
   D349       0.88788  -0.00001  -0.00450   0.00763   0.00306   0.89095
   D350       1.82828   0.00002  -0.01877   0.02923   0.01040   1.83868
   D351      -2.27388   0.00003  -0.01524   0.02536   0.01006  -2.26383
   D352       2.25914   0.00001  -0.02267   0.03553   0.01283   2.27197
   D353      -1.84302   0.00002  -0.01914   0.03166   0.01248  -1.83054
   D354       2.49612   0.00003  -0.03481   0.05534   0.02054   2.51666
   D355      -1.60604   0.00004  -0.03127   0.05146   0.02019  -1.58585
   D356       3.13124   0.00000  -0.03103   0.04899   0.01811  -3.13384
   D357      -0.97092   0.00001  -0.02750   0.04511   0.01776  -0.95316
   D358       2.58688   0.00000  -0.01764   0.02728   0.00965   2.59653
   D359      -1.51528   0.00001  -0.01411   0.02341   0.00930  -1.50598
   D360       1.61833  -0.00003  -0.00385   0.00477   0.00096   1.61929
   D361      -2.48383  -0.00002  -0.00031   0.00090   0.00061  -2.48322
   D362       1.79301  -0.00003  -0.00837   0.01385   0.00555   1.79856
   D363      -2.30915  -0.00003  -0.00484   0.00997   0.00520  -2.30395
   D364       2.74041  -0.00005  -0.00053   0.00170   0.00117   2.74157
   D365      -1.36175  -0.00004   0.00300  -0.00218   0.00082  -1.36093
   D366       2.72530  -0.00002  -0.00610   0.01017   0.00407   2.72937
   D367      -1.37686  -0.00002  -0.00256   0.00629   0.00373  -1.37314
   D368       0.04963   0.00000  -0.00683   0.00905   0.00223   0.05186
   D369      -2.49971   0.00001  -0.05792   0.07418   0.01625  -2.48346
   D370       0.44890   0.00000  -0.00640   0.00883   0.00245   0.45135
   D371      -2.10043   0.00001  -0.05749   0.07396   0.01647  -2.08396
   D372       0.66074   0.00001  -0.00851   0.01267   0.00418   0.66492
   D373      -1.88860   0.00001  -0.05960   0.07779   0.01820  -1.87040
   D374       0.93101  -0.00001  -0.00761   0.01081   0.00322   0.93423
   D375      -1.61832  -0.00001  -0.05871   0.07594   0.01724  -1.60109
   D376       0.69132  -0.00001  -0.00396   0.00454   0.00060   0.69192
   D377      -1.85801  -0.00001  -0.05505   0.06966   0.01461  -1.84340
   D378       1.03126  -0.00001  -0.00492   0.00639   0.00149   1.03275
   D379      -1.51807  -0.00001  -0.05602   0.07152   0.01551  -1.50257
   D380      -2.76844   0.00002  -0.01032   0.01586   0.00555  -2.76289
   D381       0.96541   0.00002  -0.06142   0.08099   0.01957   0.98498
   D382      -2.21155   0.00001  -0.00891   0.01278   0.00394  -2.20761
   D383       1.52230   0.00001  -0.06000   0.07791   0.01796   1.54026
   D384      -1.97578   0.00001  -0.00319   0.00439   0.00122  -1.97456
   D385       1.75807   0.00001  -0.05429   0.06951   0.01524   1.77331
   D386      -1.64538   0.00000  -0.00130   0.00166   0.00037  -1.64502
   D387       2.08847   0.00001  -0.05240   0.06678   0.01438   2.10285
   D388      -1.68935  -0.00001  -0.00577   0.00680   0.00111  -1.68824
   D389       2.04450  -0.00001  -0.05687   0.07193   0.01513   2.05963
   D390      -1.11400  -0.00001   0.00598  -0.01084  -0.00498  -1.11899
   D391       2.61985  -0.00001  -0.04512   0.05429   0.00903   2.62888
   D392       1.78485   0.00000  -0.00380   0.00496   0.00117   1.78602
   D393      -0.76448   0.00001  -0.05490   0.07009   0.01519  -0.74930
   D394       2.08514   0.00000  -0.00435   0.00604   0.00169   2.08683
   D395      -0.46420   0.00000  -0.05545   0.07117   0.01571  -0.44849
   D396       2.03105   0.00000  -0.00585   0.00859   0.00273   2.03379
   D397      -0.51828   0.00000  -0.05695   0.07372   0.01675  -0.50153
   D398       2.22606   0.00001  -0.00530   0.00921   0.00389   2.22995
   D399      -0.32328   0.00002  -0.05640   0.07434   0.01791  -0.30537
   D400       2.48556  -0.00001  -0.00351   0.00493   0.00142   2.48698
   D401      -0.06377   0.00000  -0.05461   0.07006   0.01544  -0.04833
   D402      -1.54022  -0.00004   0.00834  -0.01485  -0.00649  -1.54671
   D403       2.19363  -0.00004  -0.04276   0.05028   0.00753   2.20116
   D404      -2.63949  -0.00001   0.00849  -0.01353  -0.00503  -2.64452
   D405       1.09436  -0.00001  -0.04261   0.05160   0.00899   1.10335
   D406      -2.99793  -0.00001   0.00479  -0.00756  -0.00276  -3.00069
   D407       0.73592   0.00000  -0.04630   0.05757   0.01126   0.74718
   D408       1.91833   0.00001  -0.01386   0.02019   0.00631   1.92464
   D409       2.41214   0.00001  -0.01508   0.02259   0.00751   2.41965
   D410       2.64185   0.00002  -0.01338   0.02113   0.00775   2.64960
   D411       2.87243   0.00000  -0.01129   0.01772   0.00643   2.87886
   D412       2.83662   0.00000  -0.01974   0.02995   0.01025   2.84686
   D413      -2.95279  -0.00001  -0.01664   0.02717   0.01060  -2.94220
   D414      -0.75387   0.00001  -0.00924   0.01467   0.00541  -0.74846
   D415      -0.37223   0.00001  -0.00945   0.01471   0.00524  -0.36699
   D416      -0.06396   0.00002  -0.00928   0.01478   0.00549  -0.05847
   D417       0.24514   0.00001  -0.00928   0.01468   0.00538   0.25052
   D418      -0.23490   0.00001  -0.00953   0.01429   0.00472  -0.23017
   D419       0.07738   0.00000  -0.00835   0.01223   0.00385   0.08123
   D420      -2.56339   0.00001  -0.00959   0.01486   0.00527  -2.55812
   D421      -2.18010   0.00000  -0.00961   0.01498   0.00537  -2.17473
   D422      -1.93799  -0.00001  -0.00989   0.01615   0.00625  -1.93175
   D423      -1.62541  -0.00001  -0.00847   0.01457   0.00608  -1.61934
   D424      -1.96386   0.00000  -0.00919   0.01388   0.00469  -1.95917
   D425       1.32943  -0.00004   0.00740  -0.01088  -0.00347   1.32596
   D426       2.48142  -0.00001   0.00412  -0.00621  -0.00207   2.47935
   D427       2.95434   0.00000   0.00089  -0.00013   0.00083   2.95517
   D428      -3.07445  -0.00007   0.00172   0.00330   0.00502  -3.06943
   D429       0.03422  -0.00007  -0.00195   0.00221   0.00026   0.03447
   D430       0.03688   0.00006   0.00216   0.00128   0.00344   0.04032
   D431      -3.13764   0.00005  -0.00151   0.00019  -0.00132  -3.13895
   D432      -0.08684   0.00000   0.00175  -0.01027  -0.00851  -0.09535
   D433       2.01326   0.00000   0.00191  -0.01111  -0.00920   2.00406
   D434      -2.18303   0.00004   0.00110  -0.00889  -0.00779  -2.19081
   D435       3.08597   0.00001   0.00522  -0.00924  -0.00402   3.08196
   D436      -1.09711   0.00000   0.00538  -0.01009  -0.00470  -1.10181
   D437       0.98979   0.00005   0.00457  -0.00787  -0.00329   0.98650
   D438      -2.37847   0.00002   0.00626  -0.00338   0.00288  -2.37559
   D439      -0.28795   0.00001   0.00647  -0.00324   0.00323  -0.28471
   D440       1.81886   0.00002   0.00653  -0.00325   0.00328   1.82214
   D441       0.73186   0.00002   0.00278  -0.00442  -0.00164   0.73022
   D442       2.82238   0.00001   0.00299  -0.00428  -0.00129   2.82109
   D443      -1.35400   0.00001   0.00306  -0.00429  -0.00124  -1.35524
   D444      -0.00026   0.00003   0.00005   0.00026   0.00031   0.00005
   D445       3.11027   0.00005   0.00253  -0.00242   0.00012   3.11039
   D446      -3.12028   0.00000  -0.00024   0.00058   0.00034  -3.11994
   D447      -0.00975   0.00001   0.00224  -0.00209   0.00015  -0.00960
   D448       2.42118   0.00000   0.00273  -0.00155   0.00118   2.42237
   D449      -1.77798   0.00001   0.00300  -0.00188   0.00113  -1.77686
   D450       0.33014   0.00000   0.00297  -0.00163   0.00134   0.33148
   D451      -0.69084  -0.00001   0.00037   0.00099   0.00137  -0.68948
   D452       1.39318  -0.00001   0.00064   0.00067   0.00131   1.39448
   D453      -2.78188  -0.00002   0.00061   0.00092   0.00152  -2.78036
   D454       2.06495  -0.00001  -0.00275   0.00172  -0.00104   2.06392
   D455      -2.13376  -0.00001  -0.00276   0.00172  -0.00104  -2.13480
   D456      -0.04011  -0.00002  -0.00294   0.00188  -0.00106  -0.04117
   D457      -1.10617   0.00000  -0.00040  -0.00082  -0.00122  -1.10739
   D458       0.97830   0.00001  -0.00040  -0.00082  -0.00122   0.97708
   D459       3.07195   0.00000  -0.00058  -0.00066  -0.00124   3.07070
   D460      -3.09666   0.00005   0.00448  -0.00578  -0.00130  -3.09796
   D461      -0.03528   0.00005   0.00393  -0.00462  -0.00069  -0.03597
   D462       0.05916   0.00000   0.00306  -0.00335  -0.00028   0.05888
   D463       3.12054   0.00001   0.00251  -0.00219   0.00032   3.12086
   D464       1.95739  -0.00005  -0.00961   0.01103   0.00141   1.95880
   D465      -2.24395  -0.00003  -0.00888   0.01028   0.00140  -2.24255
   D466      -0.15039  -0.00003  -0.00970   0.01122   0.00152  -0.14887
   D467      -1.10730  -0.00006  -0.00902   0.00982   0.00081  -1.10650
   D468       0.97455  -0.00004  -0.00829   0.00907   0.00079   0.97533
   D469       3.06810  -0.00004  -0.00910   0.01001   0.00091   3.06901
   D470      -1.66461   0.00002   0.00933  -0.00882   0.00050  -1.66411
   D471       0.43951   0.00003   0.00948  -0.00898   0.00050   0.44000
   D472       2.53331   0.00002   0.00843  -0.00783   0.00060   2.53391
   D473       1.40038   0.00003   0.00875  -0.00765   0.00110   1.40148
   D474      -2.77868   0.00004   0.00891  -0.00781   0.00109  -2.77759
   D475      -0.68487   0.00002   0.00786  -0.00665   0.00120  -0.68368
   D476      -0.00725   0.00013   0.00584  -0.00608  -0.00028  -0.00753
   D477      -3.09261   0.00015  -0.00677   0.00832   0.00154  -3.09107
   D478       3.10891   0.00001   0.00528  -0.00501   0.00024   3.10916
   D479       0.02356   0.00002  -0.00733   0.00940   0.00207   0.02562
   D480      -0.36326   0.00005   0.00319  -0.01742  -0.01429  -0.37755
   D481       1.74395   0.00004   0.00371  -0.01878  -0.01505   1.72890
   D482      -2.45180   0.00001   0.00352  -0.01744  -0.01387  -2.46567
   D483       2.72479   0.00004   0.01517  -0.03110  -0.01605   2.70875
   D484      -1.45118   0.00003   0.01569  -0.03246  -0.01680  -1.46798
   D485       0.63625   0.00000   0.01550  -0.03112  -0.01562   0.62063
   D486      -0.02895  -0.00001   0.02596  -0.03094  -0.00499  -0.03395
   D487       2.06576  -0.00005   0.02416  -0.02936  -0.00521   2.06055
   D488      -2.13230  -0.00002   0.02458  -0.02953  -0.00495  -2.13725
   D489      -3.11701   0.00000   0.01398  -0.01725  -0.00325  -3.12026
   D490      -1.02230  -0.00004   0.01218  -0.01567  -0.00347  -1.02576
   D491       1.06283  -0.00001   0.01260  -0.01584  -0.00321   1.05962
         Item               Value     Threshold  Converged?
 Maximum Force            0.000189     0.000450     YES
 RMS     Force            0.000025     0.000300     YES
 Maximum Displacement     0.048019     0.001800     NO 
 RMS     Displacement     0.004883     0.001200     NO 
 Predicted change in Energy=-6.213673D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:56:17 2016, MaxMem=  2952790016 cpu:         6.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.829911   -0.597408    1.672870
      2          6           0       -2.074941    1.119892   -1.354005
      3          8           0       -2.633475    0.139053   -1.875727
      4          7           0       -0.781193    1.160631   -0.934344
      5          1           0       -2.615914    2.066278   -1.152821
      6          6           0       -0.231552    2.330840   -0.249201
      7          1           0       -0.978195    3.137092   -0.238514
      8          1           0        0.036597    2.064075    0.786519
      9          1           0        0.672658    2.676809   -0.776053
     10          6           0        0.122933    0.019931   -1.101839
     11          1           0        0.696264   -0.125379   -0.172964
     12          1           0       -0.463889   -0.883034   -1.315306
     13          1           0        0.828304    0.206390   -1.928368
     14          6           0       -1.989266   -4.011166    2.604594
     15          8           0       -2.100238   -3.858344    3.833146
     16          7           0       -2.940180   -3.703579    1.681102
     17          1           0       -1.062773   -4.406050    2.142350
     18          6           0       -4.236333   -3.140312    2.067404
     19          1           0       -4.508209   -2.347715    1.352298
     20          1           0       -5.019022   -3.916965    2.048576
     21          1           0       -4.163976   -2.716374    3.077311
     22          6           0       -2.705066   -3.882880    0.248132
     23          1           0       -3.419878   -4.611698   -0.167782
     24          1           0       -2.842426   -2.920753   -0.272029
     25          1           0       -1.679183   -4.241098    0.084418
     26          6           0        1.538559    0.383789    2.617720
     27          8           0        1.347104    1.401668    3.304488
     28          7           0        1.173536   -0.882101    2.960369
     29          1           0        2.028122    0.429137    1.624999
     30          6           0        1.489705   -2.029156    2.109023
     31          1           0        2.227594   -2.682445    2.604216
     32          1           0        0.576963   -2.618336    1.921849
     33          1           0        1.894823   -1.675691    1.150955
     34          6           0        0.532786   -1.167375    4.246735
     35          1           0        1.281256   -1.487256    4.991837
     36          1           0        0.023171   -0.264463    4.605820
     37          1           0       -0.198133   -1.977896    4.111578
     38          6           0       -4.622354    1.144390    2.917697
     39          8           0       -4.898458    1.761909    1.875384
     40          7           0       -3.527610    1.358768    3.698207
     41          1           0       -5.258810    0.319482    3.297729
     42          6           0       -2.527813    2.376347    3.358863
     43          1           0       -2.589645    2.604081    2.286113
     44          1           0       -2.700473    3.295756    3.942702
     45          1           0       -1.527188    1.982682    3.595343
     46          6           0       -3.253206    0.537045    4.878118
     47          1           0       -4.058730   -0.197233    5.014136
     48          1           0       -2.295583    0.005432    4.746995
     49          1           0       -3.181984    1.173363    5.775255
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.488715   0.000000
     3  O    3.712227   1.243463   0.000000
     4  N    3.314827   1.360721   2.315335   0.000000
     5  H    3.962014   1.108500   2.058421   2.057700   0.000000
     6  C    3.850162   2.466794   3.635761   1.463187   2.563534
     7  H    4.280806   2.552698   3.795874   2.104611   2.159797
     8  H    3.369415   3.151494   4.233503   2.108639   3.285857
     9  H    4.793805   3.210501   4.310453   2.106545   3.365918
    10  C    3.448727   2.470658   2.865462   1.465160   3.419271
    11  H    3.164092   3.259622   3.749198   2.101522   4.090721
    12  H    3.297999   2.570740   2.462892   2.102946   3.654594
    13  H    4.547650   3.097292   3.462834   2.118760   3.990401
    14  C    3.542210   6.481173   6.141059   6.382085   7.172600
    15  O    3.920915   7.189577   6.989618   7.046911   7.760602
    16  N    3.298646   5.764234   5.245085   5.929783   6.436421
    17  H    3.913397   6.617025   6.266579   6.366575   7.427074
    18  C    3.523192   5.875967   5.373236   6.280652   6.332786
    19  H    3.215529   5.026845   4.485397   5.606057   5.416617
    20  H    4.618555   6.753895   6.127175   7.255274   7.198824
    21  H    3.451135   6.222344   5.918486   6.524398   6.569952
    22  C    3.686475   5.290711   4.548829   5.525987   6.112536
    23  H    4.693668   6.005589   5.109319   6.392970   6.797942
    24  H    3.194644   4.252824   3.460912   4.620069   5.069277
    25  H    3.977735   5.564701   4.892705   5.569823   6.495476
    26  C    3.633467   5.419763   6.136516   4.312990   5.857252
    27  O    4.092909   5.787171   6.653858   4.749257   6.001235
    28  N    3.280152   5.759722   6.238903   4.812744   6.322278
    29  H    3.992556   5.117297   5.836927   3.870086   5.653634
    30  C    3.641426   5.883517   6.130251   4.959214   6.653444
    31  H    4.655978   6.974029   7.187539   6.028551   7.754048
    32  H    3.152647   5.633663   5.686095   4.927779   6.449315
    33  H    3.912638   5.463437   5.741044   4.422019   6.297338
    34  C    3.540053   6.587876   7.015447   5.830071   7.037473
    35  H    4.635378   7.637473   8.070529   6.810626   8.097677
    36  H    3.485249   6.468232   7.016484   5.776791   6.749746
    37  H    3.242798   6.556775   6.801484   5.970899   7.065048
    38  C    3.518692   4.973666   5.286139   5.439945   4.630853
    39  O    3.875999   4.337440   4.672755   5.020755   3.804297
    40  N    3.287977   5.262334   5.775459   5.389118   4.986405
    41  H    3.903614   5.693532   5.804273   6.218282   5.462929
    42  C    3.488962   4.898458   5.693644   4.791688   4.523185
    43  H    3.347057   3.964617   4.837272   3.965525   3.480832
    44  H    4.589852   5.760276   6.619923   5.659326   5.242435
    45  H    3.231780   5.053759   5.878388   4.663726   4.872102
    46  C    3.685968   6.369252   6.793886   6.347001   6.254352
    47  H    4.036314   6.798784   7.043767   6.926071   6.725813
    48  H    3.167098   6.205876   6.632682   5.992117   6.257598
    49  H    4.668328   7.214897   7.740037   7.126196   7.008279
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098923   0.000000
     8  H    1.102626   1.797737   0.000000
     9  H    1.102208   1.796141   1.794895   0.000000
    10  C    2.488564   3.416797   2.784219   2.732642   0.000000
    11  H    2.626722   3.667673   2.479814   2.866449   1.101196
    12  H    3.394046   4.193496   3.654259   3.775581   1.097850
    13  H    2.907953   3.835109   3.383550   2.730390   1.102482
    14  C    7.173197   7.759067   6.657182   7.952586   5.869309
    15  O    7.646146   8.171507   6.994501   8.464153   6.658648
    16  N    6.890353   7.370827   6.551894   7.733018   5.567042
    17  H    7.196954   7.910415   6.701449   7.854661   5.614266
    18  C    7.165084   7.438986   6.854504   8.125412   6.247754
    19  H    6.537850   6.713776   6.359187   7.524434   5.751175
    20  H    8.199679   8.445045   7.932523   9.157052   7.201665
    21  H    7.211381   7.443585   6.763522   8.205356   6.582572
    22  C    6.706410   7.245613   6.570605   7.448992   5.005191
    23  H    7.640085   8.124689   7.577853   8.381001   5.905587
    24  H    5.864845   6.338293   5.853016   6.628917   4.257882
    25  H    6.737752   7.418447   6.572066   7.357241   4.776107
    26  C    3.891470   4.698170   2.903885   4.186337   3.996437
    27  O    3.998027   4.579473   2.914855   4.328010   4.777396
    28  N    4.753799   5.569265   3.833824   5.184358   4.291732
    29  H    3.497889   4.454620   2.709658   3.557297   3.351543
    30  C    5.247239   6.188019   4.540384   5.580084   4.046785
    31  H    6.270758   7.226700   5.534793   6.524234   5.046511
    32  H    5.464567   6.341185   4.848292   5.943600   4.038476
    33  H    4.747021   5.774750   4.191858   4.914398   3.330138
    34  C    5.747622   6.397574   4.760416   6.326587   5.494080
    35  H    6.658448   7.338003   5.643211   7.139915   6.383277
    36  H    5.511054   6.003406   4.473179   6.167453   5.715611
    37  H    6.130474   6.759800   5.239145   6.805401   5.592326
    38  C    5.542207   5.216553   5.205148   6.635454   6.319718
    39  O    5.159221   4.661347   5.062775   6.237346   6.092020
    40  N    5.233637   5.015948   4.656066   6.276821   6.177329
    41  H    6.472990   6.226364   6.114828   7.571988   6.957664
    42  C    4.277033   3.990134   3.645636   5.237444   5.698861
    43  H    3.473194   3.042139   3.072056   4.474904   5.051151
    44  H    4.959706   4.524819   4.355465   5.833331   6.644550
    45  H    4.071905   4.041351   3.215826   4.942695   5.351524
    46  C    6.215906   6.173803   5.467705   7.208373   6.886625
    47  H    6.981487   6.942460   6.305391   8.010770   7.412059
    48  H    5.884702   6.033084   5.036114   6.815480   6.329162
    49  H    6.807266   6.699129   6.003341   7.748435   7.716690
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795811   0.000000
    13  H    1.791354   1.797902   0.000000
    14  C    5.479621   5.241908   6.802517   0.000000
    15  O    6.148526   6.167387   7.635016   1.242984   0.000000
    16  N    5.428149   4.802703   6.520553   1.360766   2.315329
    17  H    5.174847   4.972494   6.435956   1.108149   2.057937
    18  C    6.199966   5.547014   7.267541   2.469062   2.862921
    19  H    5.861036   5.061416   6.764954   3.268087   3.772921
    20  H    7.209429   6.424148   8.185925   3.081794   3.421612
    21  H    6.395270   6.028836   7.649983   2.574744   2.476771
    22  C    5.085782   4.057867   5.826147   2.466119   3.635759
    23  H    6.088490   4.894652   6.660382   3.177005   4.279769
    24  H    4.510682   3.301236   5.098699   3.192467   4.275791
    25  H    4.759005   3.835721   5.488073   2.549570   3.791668
    26  C    2.959161   4.591658   4.604655   5.635721   5.719598
    27  O    3.853328   5.462788   5.392646   6.396873   6.311210
    28  N    3.258557   4.578488   5.020334   4.463288   4.509696
    29  H    2.305213   4.071523   3.757073   6.067561   6.348367
    30  C    3.075936   4.105624   4.662151   4.034500   4.382490
    31  H    4.073854   5.083759   5.554070   4.421245   4.650068
    32  H    3.258421   3.817566   4.781884   2.998608   3.515406
    33  H    2.364905   3.503465   3.763233   4.759586   5.283809
    34  C    4.543811   5.657783   6.332966   4.140594   3.787504
    35  H    5.373277   6.571961   7.138827   4.771307   4.289420
    36  H    4.827958   5.973240   6.600421   4.700276   4.245218
    37  H    4.752795   5.542600   6.504277   3.100539   2.689166
    38  C    6.281099   6.270694   7.353494   5.797495   5.676836
    39  O    6.249680   6.069731   7.048686   6.505654   6.576482
    40  N    5.918595   6.288671   7.208351   5.691984   5.410532
    41  H    6.906991   6.761465   8.023581   5.470362   5.264739
    42  C    5.396954   6.060628   6.627749   6.454400   6.267308
    43  H    4.928915   5.445092   5.932382   6.650066   6.663015
    44  H    6.338824   7.078930   7.514381   7.462403   7.180073
    45  H    4.856727   5.784238   6.262184   6.092726   5.873885
    46  C    6.445971   6.939410   7.943319   5.239530   4.662698
    47  H    7.037126   7.311296   8.499670   4.963331   4.316731
    48  H    5.759710   6.394995   7.372892   4.562540   3.975179
    49  H    7.218646   7.867201   8.738607   6.193142   5.500913
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056909   0.000000
    18  C    1.465097   3.417483   0.000000
    19  H    2.098856   4.090472   1.101591   0.000000
    20  H    2.121828   3.987469   1.102791   1.791167   0.000000
    21  H    2.102772   3.653302   1.097666   1.797242   1.797449
    22  C    1.463158   2.561034   2.491171   2.612899   2.932090
    23  H    2.114985   3.306803   2.797790   2.936107   2.819957
    24  H    2.106441   3.347014   2.732056   2.396173   3.333950
    25  H    2.104386   2.154589   3.418037   3.632604   3.888124
    26  C    6.135384   5.471331   6.787600   6.754689   7.862715
    27  O    6.861468   6.394346   7.303063   7.221746   8.390038
    28  N    5.149750   4.253052   5.929889   6.084090   6.956260
    29  H    6.462702   5.761972   7.223577   7.106961   8.290372
    30  C    4.755070   3.487962   5.833001   6.053849   6.777242
    31  H    5.347966   3.743080   6.502319   6.859328   7.371989
    32  H    3.688632   2.435832   4.843703   5.124119   5.746090
    33  H    5.269786   4.145492   6.369934   6.441350   7.323271
    34  C    5.007624   4.178907   5.602362   5.931493   6.573791
    35  H    5.804617   4.704616   6.459775   6.892354   7.366124
    36  H    5.400273   4.939707   5.732141   5.954726   6.730824
    37  H    4.050188   3.243670   4.672999   5.130999   5.590791
    38  C    5.278417   6.639215   4.385280   3.828616   5.150732
    39  O    5.808972   7.268251   4.950460   4.161120   5.682794
    40  N    5.480980   6.459817   4.837719   4.494761   5.725291
    41  H    4.916762   6.424351   3.811736   3.385563   4.423275
    42  C    6.320636   7.044655   5.917807   5.501367   6.894111
    43  H    6.346297   7.175928   5.979754   5.391955   6.962927
    44  H    7.359551   8.077200   6.877397   6.467370   7.809401
    45  H    6.163962   6.568316   5.993257   5.715774   7.027890
    46  C    5.319942   6.059424   4.731765   4.725281   5.564407
    47  H    4.965354   5.910758   4.168512   4.270324   4.853156
    48  H    4.855097   5.269267   4.565350   4.685828   5.484869
    49  H    6.372215   6.987053   5.785119   5.806842   6.570715
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390193   0.000000
    23  H    3.831000   1.102324   0.000000
    24  H    3.606431   1.102327   1.789865   0.000000
    25  H    4.178084   1.098890   1.797490   1.795411   0.000000
    26  C    6.507007   6.467438   7.569677   6.201909   6.177463
    27  O    6.883450   7.327198   8.422669   7.001925   7.167151
    28  N    5.645110   5.603968   6.692883   5.543685   5.262314
    29  H    7.095458   6.549222   7.635757   6.208277   6.158618
    30  C    5.777019   4.949273   5.996447   5.023117   4.362746
    31  H    6.409144   5.596723   6.580268   5.833924   4.903231
    32  H    4.880697   3.895139   4.931003   4.073914   3.331621
    33  H    6.442276   5.181288   6.213313   5.100646   4.526845
    34  C    5.081980   5.817772   6.853822   5.906404   5.627206
    35  H    5.901414   6.643231   7.647514   6.838710   6.358506
    36  H    5.087279   6.286944   7.317125   6.249875   6.257372
    37  H    4.164489   4.983963   5.969043   5.205504   4.851144
    38  C    3.891155   6.006331   6.640684   5.465152   6.759675
    39  O    4.694583   6.270770   6.854457   5.546708   7.043250
    40  N    4.171002   6.328860   7.113645   5.877631   6.916259
    41  H    3.234759   5.786319   6.301426   5.392699   6.628573
    42  C    5.356502   6.991851   7.878184   6.429745   7.431873
    43  H    5.604619   6.800540   7.666704   6.093585   7.247956
    44  H    6.247916   8.073579   8.940999   7.511930   8.528397
    45  H    5.413144   6.855365   7.824911   6.382013   7.147386
    46  C    3.828465   6.424403   7.210994   6.216841   6.948939
    47  H    3.179378   6.175046   6.837245   6.069638   6.805675
    48  H    3.699590   5.960403   6.836444   5.835426   6.336606
    49  H    4.834590   7.506139   8.297181   7.310727   7.997525
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242732   0.000000
    28  N    1.361296   2.316062   0.000000
    29  H    1.107800   2.056765   2.057395   0.000000
    30  C    2.466467   3.635935   1.463041   2.562689   0.000000
    31  H    3.142728   4.236227   2.116393   3.268118   1.102942
    32  H    3.228259   4.320328   2.109250   3.388373   1.102390
    33  H    2.553386   3.795766   2.103336   2.161663   1.098614
    34  C    2.464017   2.854982   1.465154   3.414436   2.495630
    35  H    3.033719   3.346246   2.122423   3.945373   2.940701
    36  H    2.582475   2.494445   2.100553   3.658716   3.390996
    37  H    3.290177   3.802710   2.099410   4.114983   2.619474
    38  C    6.214930   5.987506   6.140100   6.812597   6.934163
    39  O    6.624611   6.417099   6.710968   7.058079   7.432051
    40  N    5.271063   4.890777   5.259912   6.002379   6.259152
    41  H    6.831602   6.693974   6.552304   7.477261   7.243727
    42  C    4.588569   3.995991   4.947349   5.249234   6.091881
    43  H    4.699120   4.240387   5.173936   5.146962   6.175706
    44  H    5.310794   4.514174   5.781644   5.995737   7.019591
    45  H    3.593190   2.946818   3.987993   4.351550   5.235039
    46  C    5.300368   4.938293   5.028696   6.203777   6.062052
    47  H    6.116375   5.890877   5.662474   6.994880   6.525393
    48  H    4.402001   4.159263   4.001816   5.349842   5.042504
    49  H    5.733845   5.164247   5.578446   6.702514   6.747003
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787265   0.000000
    33  H    1.798959   1.794328   0.000000
    34  C    2.804581   2.740863   3.420144   0.000000
    35  H    2.832802   3.346670   3.894143   1.103499   0.000000
    36  H    3.835692   3.612631   4.175014   1.097224   1.796388
    37  H    2.941543   2.409532   3.638280   1.099752   1.790021
    38  C    7.852689   6.494822   7.317639   5.803970   6.788242
    39  O    8.429952   7.012056   7.647912   6.610781   7.645798
    40  N    7.116922   5.985007   6.715595   4.813429   5.735723
    41  H    8.095602   6.676830   7.730707   6.054250   6.993338
    42  C    6.983893   6.054048   6.391681   4.765874   5.665955
    43  H    7.159213   6.118310   6.302023   5.274229   6.248508
    44  H    7.862332   7.057047   7.322970   5.519596   6.311264
    45  H    6.069936   5.328921   5.573948   3.819773   4.677395
    46  C    6.750919   5.776343   6.729796   4.199694   4.967099
    47  H    7.176480   6.075658   7.249470   4.755219   5.493643
    48  H    5.681136   4.808027   5.772104   3.102484   3.883535
    49  H    7.361132   6.584481   7.434731   4.649188   5.254821
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796971   0.000000
    38  C    5.139604   5.545066   0.000000
    39  O    5.981965   6.409350   1.242570   0.000000
    40  N    4.008327   4.731767   1.361476   2.316125   0.000000
    41  H    5.472790   5.617006   1.109043   2.057551   2.058532
    42  C    3.877667   4.995340   2.469706   2.863250   1.466362
    43  H    4.520663   5.481438   2.580989   2.491700   2.103472
    44  H    4.531349   5.839661   3.061476   3.384913   2.120344
    45  H    2.911072   4.209402   3.277497   3.791103   2.097984
    46  C    3.383964   4.030631   2.467120   3.636421   1.463801
    47  H    4.102823   4.346215   2.551996   3.794094   2.105919
    48  H    2.338674   2.955781   3.171344   4.255152   2.109352
    49  H    3.702423   4.647755   3.200178   4.301356   2.113754
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419471   0.000000
    43  H    3.656119   1.098398   0.000000
    44  H    3.977348   1.102720   1.798607   0.000000
    45  H    4.096317   1.100974   1.796951   1.794831   0.000000
    46  C    2.562696   2.493464   3.381041   2.964963   2.591238
    47  H    2.157137   3.421542   4.177042   3.897923   3.629560
    48  H    3.313566   2.757187   3.591015   3.411313   2.413763
    49  H    3.343719   2.777420   3.817320   2.845111   2.854008
                   46         47         48         49
    46  C    0.000000
    47  H    1.098423   0.000000
    48  H    1.103108   1.794749   0.000000
    49  H    1.102192   1.796251   1.790834   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2139817      0.1944379      0.1843525
 Leave Link  202 at Mon Nov 14 02:56:17 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.5406458184 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841412288 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.3565045896 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4018
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.36D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.20%
 GePol: Cavity surface area                          =    467.335 Ang**2
 GePol: Cavity volume                                =    457.745 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039884446 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.3525161450 Hartrees.
 Leave Link  301 at Mon Nov 14 02:56:17 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:56:18 2016, MaxMem=  2952790016 cpu:        14.2
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:56:18 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000085    0.003836   -0.000308
         Rot=    1.000000   -0.000168   -0.000002   -0.000246 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50867426381    
 Leave Link  401 at Mon Nov 14 02:56:25 2016, MaxMem=  2952790016 cpu:        79.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48432972.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.13D-14 for   1428.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.80D-15 for   2060    474.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.77D-15 for   2101.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.84D-09 for   1952   1943.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.20D-14 for     36.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.55D-14 for   1885    705.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for     17.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.09D-15 for   2380    174.
 E= -1013.45109564295    
 DIIS: error= 3.76D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45109564295     IErMin= 1 ErrMin= 3.76D-04
 ErrMax= 3.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-04 BMatP= 1.37D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.76D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=5.92D-05 MaxDP=1.99D-03              OVMax= 3.13D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.91D-05    CP:  1.00D+00
 E= -1013.45131188102     Delta-E=       -0.000216238072 Rises=F Damp=F
 DIIS: error= 4.80D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45131188102     IErMin= 2 ErrMin= 4.80D-05
 ErrMax= 4.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-06 BMatP= 1.37D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.251D-01 0.975D+00
 Coeff:      0.251D-01 0.975D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.31D-05 MaxDP=8.35D-04 DE=-2.16D-04 OVMax= 1.05D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  1.00D+00  9.57D-01
 E= -1013.45130499493     Delta-E=        0.000006886093 Rises=F Damp=F
 DIIS: error= 1.50D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45131188102     IErMin= 2 ErrMin= 4.80D-05
 ErrMax= 1.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-05 BMatP= 2.62D-06
 IDIUse=3 WtCom= 4.49D-01 WtEn= 5.51D-01
 Coeff-Com:  0.324D-02 0.686D+00 0.311D+00
 Coeff-En:   0.000D+00 0.764D+00 0.236D+00
 Coeff:      0.146D-02 0.729D+00 0.270D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.22D-06 MaxDP=6.19D-04 DE= 6.89D-06 OVMax= 8.65D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.58D-06    CP:  1.00D+00  9.71D-01  4.28D-01
 E= -1013.45131392826     Delta-E=       -0.000008933335 Rises=F Damp=F
 DIIS: error= 2.53D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45131392826     IErMin= 4 ErrMin= 2.53D-05
 ErrMax= 2.53D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-07 BMatP= 2.62D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-04 0.308D+00 0.129D+00 0.563D+00
 Coeff:     -0.172D-04 0.308D+00 0.129D+00 0.563D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.97D-06 MaxDP=1.28D-04 DE=-8.93D-06 OVMax= 1.79D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.36D-06    CP:  1.00D+00  9.76D-01  3.89D-01  6.30D-01
 E= -1013.45131405279     Delta-E=       -0.000000124532 Rises=F Damp=F
 DIIS: error= 2.15D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45131405279     IErMin= 5 ErrMin= 2.15D-05
 ErrMax= 2.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.80D-08 BMatP= 2.33D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.363D-04 0.150D+00 0.589D-01 0.400D+00 0.392D+00
 Coeff:     -0.363D-04 0.150D+00 0.589D-01 0.400D+00 0.392D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.45D-07 MaxDP=5.50D-05 DE=-1.25D-07 OVMax= 8.21D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.80D-07    CP:  1.00D+00  9.77D-01  3.80D-01  6.66D-01  5.48D-01
 E= -1013.45131413888     Delta-E=       -0.000000086090 Rises=F Damp=F
 DIIS: error= 1.25D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45131413888     IErMin= 6 ErrMin= 1.25D-06
 ErrMax= 1.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.07D-10 BMatP= 9.80D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.206D-04 0.533D-01 0.207D-01 0.152D+00 0.164D+00 0.610D+00
 Coeff:     -0.206D-04 0.533D-01 0.207D-01 0.152D+00 0.164D+00 0.610D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.02D-07 MaxDP=4.35D-06 DE=-8.61D-08 OVMax= 5.93D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.34D-08    CP:  1.00D+00  9.77D-01  3.82D-01  6.70D-01  5.40D-01
                    CP:  9.21D-01
 E= -1013.45131413924     Delta-E=       -0.000000000359 Rises=F Damp=F
 DIIS: error= 5.07D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45131413924     IErMin= 7 ErrMin= 5.07D-07
 ErrMax= 5.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-10 BMatP= 6.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-04 0.107D-01 0.410D-02 0.337D-01 0.396D-01 0.329D+00
 Coeff-Com:  0.583D+00
 Coeff:     -0.131D-04 0.107D-01 0.410D-02 0.337D-01 0.396D-01 0.329D+00
 Coeff:      0.583D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.38D-08 MaxDP=1.35D-06 DE=-3.59D-10 OVMax= 1.78D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.04D-08    CP:  1.00D+00  9.77D-01  3.81D-01  6.72D-01  5.42D-01
                    CP:  9.28D-01  7.37D-01
 E= -1013.45131413949     Delta-E=       -0.000000000251 Rises=F Damp=F
 DIIS: error= 6.54D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45131413949     IErMin= 8 ErrMin= 6.54D-08
 ErrMax= 6.54D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.69D-12 BMatP= 1.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.578D-05 0.284D-02 0.116D-02 0.944D-02 0.119D-01 0.127D+00
 Coeff-Com:  0.273D+00 0.574D+00
 Coeff:     -0.578D-05 0.284D-02 0.116D-02 0.944D-02 0.119D-01 0.127D+00
 Coeff:      0.273D+00 0.574D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.99D-09 MaxDP=7.48D-07 DE=-2.51D-10 OVMax= 1.13D-06

 Error on total polarization charges =  0.04316
 SCF Done:  E(RB97D) =  -1013.45131414     A.U. after    8 cycles
            NFock=  8  Conv=0.10D-07     -V/T= 2.0213
 KE= 9.923455526702D+02 PE=-6.028248530621D+03 EE= 2.174099147666D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 02:58:07 2016, MaxMem=  2952790016 cpu:      1169.6
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 02:58:16 2016, MaxMem=  2952790016 cpu:        96.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 02:58:16 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 02:58:52 2016, MaxMem=  2952790016 cpu:       439.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.17780605D+00-2.62659190D+00 3.27804390D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000267734    0.000468707    0.000111915
      2        6           0.000145040   -0.000216890    0.000482831
      3        8          -0.000039105   -0.000021598   -0.000323212
      4        7          -0.000101018   -0.000077720   -0.000140034
      5        1          -0.000019387    0.000033566   -0.000124079
      6        6          -0.000043160   -0.000274028    0.000059685
      7        1           0.000072992    0.000012447    0.000138831
      8        1           0.000137050    0.000338267   -0.000391102
      9        1           0.000094482    0.000236496    0.000383860
     10        6          -0.000045483    0.000095570   -0.000131891
     11        1          -0.000072004    0.000010849   -0.000021913
     12        1           0.000021471    0.000037020   -0.000076850
     13        1           0.000073447   -0.000012092    0.000004507
     14        6          -0.000127397    0.000053564    0.000007878
     15        8           0.000029162   -0.000106119    0.000027942
     16        7          -0.000000574    0.000068002   -0.000056803
     17        1           0.000030446    0.000016146   -0.000035151
     18        6           0.000008982    0.000022623   -0.000064186
     19        1          -0.000005498    0.000028098   -0.000057788
     20        1           0.000001805   -0.000017864   -0.000049033
     21        1          -0.000038079   -0.000078804   -0.000060394
     22        6           0.000054807   -0.000046379    0.000092000
     23        1           0.000021425   -0.000001848   -0.000085219
     24        1           0.000082160    0.000067071   -0.000095902
     25        1           0.000023581    0.000031328   -0.000036527
     26        6          -0.000134354   -0.000019601   -0.000094372
     27        8           0.000019528   -0.000189628    0.000292489
     28        7           0.000113461    0.000194012    0.000120453
     29        1           0.000010045   -0.000100726    0.000026293
     30        6          -0.000132683   -0.000081410   -0.000066477
     31        1           0.000095197    0.000097837    0.000012850
     32        1           0.000152314    0.000095444    0.000086980
     33        1          -0.000062825   -0.000037403   -0.000011623
     34        6           0.000050400   -0.000045663   -0.000017785
     35        1          -0.000014382    0.000007333   -0.000016313
     36        1          -0.000076706    0.000025465   -0.000025382
     37        1           0.000020809   -0.000019761    0.000029310
     38        6           0.000139761   -0.000334125    0.000418385
     39        8           0.000466405   -0.000019721   -0.000054103
     40        7          -0.000411884   -0.000541336   -0.000279698
     41        1           0.000022754    0.000041642    0.000018739
     42        6          -0.000550134   -0.000714906    0.000290927
     43        1           0.000114935    0.000333652    0.000199379
     44        1           0.000580700    0.000159240   -0.000217827
     45        1          -0.000406009    0.000419367   -0.000102551
     46        6           0.000116006    0.000209951   -0.000153025
     47        1          -0.000103096   -0.000073964   -0.000015554
     48        1          -0.000059400   -0.000037358    0.000043029
     49        1           0.000011745   -0.000034751   -0.000043487
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000714906 RMS     0.000181821
 Leave Link  716 at Mon Nov 14 02:58:53 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000430932 RMS     0.000047696
 Search for a local minimum.
 Step number  62 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .47696D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   46   49   51   53   55
                                                     56   57   59   60   61
                                                     62
 DE=  3.52D-06 DEPred=-6.21D-06 R=-5.66D-01
 Trust test=-5.66D-01 RLast= 1.31D-01 DXMaxT set to 1.67D-01
 ITU= -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1
 ITU=  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0
     Eigenvalues ---    0.00000   0.00002   0.00063   0.00101   0.00183
     Eigenvalues ---    0.00222   0.00271   0.00339   0.00378   0.00427
     Eigenvalues ---    0.00493   0.00591   0.00613   0.00688   0.00720
     Eigenvalues ---    0.00797   0.00851   0.00897   0.01009   0.01038
     Eigenvalues ---    0.01126   0.01173   0.01203   0.01238   0.01325
     Eigenvalues ---    0.01415   0.01480   0.01531   0.01576   0.01680
     Eigenvalues ---    0.01728   0.01776   0.01817   0.01886   0.01901
     Eigenvalues ---    0.01995   0.02080   0.02146   0.02283   0.02305
     Eigenvalues ---    0.02425   0.02590   0.02732   0.02929   0.03074
     Eigenvalues ---    0.03192   0.03782   0.04030   0.04352   0.04561
     Eigenvalues ---    0.04764   0.05278   0.05621   0.05937   0.06101
     Eigenvalues ---    0.06234   0.06338   0.06535   0.06642   0.06931
     Eigenvalues ---    0.07120   0.07271   0.07800   0.07995   0.08059
     Eigenvalues ---    0.08124   0.08243   0.08300   0.08439   0.08646
     Eigenvalues ---    0.08714   0.08911   0.09104   0.09173   0.09487
     Eigenvalues ---    0.09689   0.09815   0.09910   0.10184   0.10276
     Eigenvalues ---    0.10459   0.10496   0.10510   0.10945   0.11147
     Eigenvalues ---    0.11228   0.11277   0.11583   0.12683   0.13389
     Eigenvalues ---    0.13754   0.14153   0.14436   0.15009   0.15229
     Eigenvalues ---    0.15628   0.15654   0.21706   0.22450   0.23505
     Eigenvalues ---    0.24326   0.24485   0.24685   0.25832   0.26406
     Eigenvalues ---    0.27005   0.27565   0.28362   0.29237   0.29661
     Eigenvalues ---    0.30126   0.31984   0.32801   0.32816   0.32827
     Eigenvalues ---    0.32903   0.33308   0.33354   0.33373   0.33389
     Eigenvalues ---    0.33423   0.33436   0.33443   0.33538   0.33694
     Eigenvalues ---    0.33792   0.33815   0.33838   0.33924   0.33948
     Eigenvalues ---    0.34016   0.34102   0.35825   0.37357   0.39068
     Eigenvalues ---    0.42019   0.43675   0.85925   0.86073   0.87086
     Eigenvalues ---    0.89879
 Eigenvalue     1 is   8.60D-07 Eigenvector:
                         D381      D383      D389      D373      D375
   1                   -0.19350  -0.19214  -0.18899  -0.18714  -0.18219
                         D369      D371      D397      D379      D395
   1                   -0.18166  -0.17981  -0.17609  -0.17432  -0.17392
 Eigenvalue     2 is   2.08D-05 Eigenvector:
                          R4        D82       D76       D72       D80
   1                    0.18274   0.16438   0.15964   0.15949   0.15893
                          D74       D78       D62       D64       D68
   1                    0.15861   0.15673   0.15324   0.14434   0.14124
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    62   61   60   59   58
 RFO step:  Lambda=-5.45627489D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.95D-03 SmlDif=  1.00D-05
 RMS Error=  0.2905312679D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.20766   -1.29592    0.29596    1.78837    0.00392
 Iteration  1 RMS(Cart)=  0.01445695 RMS(Int)=  0.00559353
 Iteration  2 RMS(Cart)=  0.00035861 RMS(Int)=  0.00009140
 Iteration  3 RMS(Cart)=  0.00000076 RMS(Int)=  0.00009140
 ITry= 1 IFail=0 DXMaxC= 1.40D-01 DCOld= 1.00D+10 DXMaxT= 1.67D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59272  -0.00004  -0.01060   0.01444   0.00383   6.59655
    R2        6.26411  -0.00003  -0.00144   0.00320   0.00180   6.26592
    R3        7.27575  -0.00009  -0.01343   0.01313  -0.00021   7.27554
    R4        6.36727   0.00025   0.00013   0.00302   0.00308   6.37035
    R5        6.51715   0.00014   0.01156  -0.00846   0.00312   6.52027
    R6        5.97927   0.00000  -0.00442   0.00347  -0.00098   5.97829
    R7        6.69381   0.00003   0.00729  -0.00559   0.00171   6.69551
    R8        6.23354  -0.00001  -0.00595   0.00340  -0.00255   6.23099
    R9        6.65787   0.00004  -0.00189   0.00206   0.00017   6.65803
   R10        6.07647   0.00001  -0.00297   0.00458   0.00161   6.07808
   R11        6.96643  -0.00005  -0.00785   0.00300  -0.00488   6.96155
   R12        6.03700  -0.00002  -0.00750   0.00299  -0.00449   6.03251
   R13        6.86626  -0.00007   0.00327   0.00145   0.00472   6.87098
   R14        6.19859   0.00005  -0.00446   0.00122  -0.00319   6.19540
   R15        6.88130  -0.00002  -0.00701  -0.00103  -0.00797   6.87333
   R16        5.95764   0.00003   0.01060  -0.00835   0.00223   5.95987
   R17        6.68973   0.00008  -0.00635   0.00384  -0.00250   6.68723
   R18        6.64936  -0.00032   0.05845  -0.05346   0.00513   6.65449
   R19        6.21338  -0.00013  -0.01345   0.01233  -0.00078   6.21259
   R20        6.59318  -0.00006   0.01675   0.01317   0.02994   6.62312
   R21        6.10718   0.00014  -0.06284   0.02708  -0.03604   6.07114
   R22        6.96547  -0.00009  -0.04862   0.02499  -0.02324   6.94223
   R23        5.98495   0.00003  -0.02950   0.01807  -0.01150   5.97344
   R24        2.34980   0.00020   0.00022  -0.00009   0.00013   2.34993
   R25        2.57139  -0.00003   0.00047  -0.00047  -0.00004   2.57135
   R26        2.09476   0.00000  -0.00020   0.00005  -0.00015   2.09461
   R27        2.76502   0.00018   0.00063   0.00023   0.00084   2.76587
   R28        2.76875  -0.00004  -0.00045   0.00051   0.00001   2.76876
   R29        2.07666  -0.00005  -0.00017   0.00006  -0.00011   2.07655
   R30        2.08366  -0.00032  -0.00116   0.00065  -0.00057   2.08309
   R31        2.08287  -0.00003   0.00021  -0.00021   0.00000   2.08287
   R32        2.08096   0.00002   0.00034  -0.00009   0.00028   2.08124
   R33        2.07464   0.00001   0.00003  -0.00001   0.00002   2.07466
   R34        2.08339   0.00004   0.00015  -0.00008   0.00007   2.08346
   R35        2.34890   0.00005  -0.00014   0.00013  -0.00001   2.34889
   R36        2.57148   0.00001   0.00011   0.00009   0.00016   2.57164
   R37        2.09410   0.00001   0.00000  -0.00005  -0.00005   2.09405
   R38        2.76863  -0.00002  -0.00002   0.00000  -0.00002   2.76861
   R39        2.76497   0.00000   0.00001   0.00022   0.00021   2.76518
   R40        2.08171   0.00001   0.00007   0.00000   0.00010   2.08181
   R41        2.08397   0.00001   0.00005  -0.00004   0.00001   2.08398
   R42        2.07429  -0.00005   0.00005   0.00000   0.00006   2.07434
   R43        2.08309   0.00003   0.00020  -0.00012   0.00008   2.08317
   R44        2.08310   0.00002   0.00035  -0.00012   0.00042   2.08351
   R45        2.07660  -0.00001   0.00007   0.00000   0.00007   2.07667
   R46        2.34842  -0.00002   0.00018  -0.00023  -0.00005   2.34837
   R47        2.57248  -0.00022  -0.00123   0.00078  -0.00049   2.57198
   R48        2.09344   0.00001   0.00008  -0.00001   0.00007   2.09351
   R49        2.76475   0.00002   0.00019  -0.00007   0.00005   2.76479
   R50        2.76874  -0.00007  -0.00005   0.00009   0.00001   2.76875
   R51        2.08426   0.00001   0.00011  -0.00005   0.00006   2.08432
   R52        2.08322  -0.00008  -0.00112   0.00048  -0.00087   2.08234
   R53        2.07608  -0.00002  -0.00002  -0.00001  -0.00004   2.07604
   R54        2.08531  -0.00002  -0.00015   0.00004  -0.00010   2.08521
   R55        2.07345   0.00005   0.00047  -0.00017   0.00030   2.07375
   R56        2.07823  -0.00002  -0.00013   0.00008  -0.00006   2.07817
   R57        2.34812  -0.00007   0.00000  -0.00016  -0.00016   2.34796
   R58        2.57282  -0.00043  -0.00103   0.00077  -0.00067   2.57214
   R59        2.09579  -0.00006  -0.00002  -0.00003  -0.00005   2.09574
   R60        2.77102   0.00012  -0.00106   0.00008  -0.00121   2.76981
   R61        2.76618  -0.00018  -0.00151   0.00063  -0.00134   2.76484
   R62        2.07567  -0.00011  -0.00109   0.00020  -0.00089   2.07478
   R63        2.08384  -0.00007  -0.00002   0.00008   0.00006   2.08390
   R64        2.08054  -0.00035  -0.00089   0.00059  -0.00047   2.08007
   R65        2.07572   0.00008   0.00061  -0.00021   0.00040   2.07612
   R66        2.08457  -0.00003  -0.00063   0.00016  -0.00058   2.08399
   R67        2.08284  -0.00003   0.00048  -0.00029   0.00019   2.08304
    A1        0.67876   0.00004   0.00149  -0.00134   0.00013   0.67889
    A2        0.95434   0.00001   0.00290  -0.00261   0.00030   0.95464
    A3        0.72817  -0.00002  -0.00024  -0.00029  -0.00054   0.72763
    A4        1.01984  -0.00003   0.00027  -0.00082  -0.00055   1.01929
    A5        2.34542  -0.00003  -0.00486   0.00178  -0.00307   2.34235
    A6        2.02868  -0.00003  -0.00887   0.00330  -0.00557   2.02310
    A7        1.98719  -0.00003  -0.01395   0.00549  -0.00847   1.97872
    A8        1.69405  -0.00002  -0.01474   0.00576  -0.00900   1.68506
    A9        1.65762  -0.00003  -0.00683   0.00241  -0.00444   1.65318
   A10        1.37711  -0.00004  -0.00820   0.00301  -0.00526   1.37185
   A11        1.72926   0.00003   0.00709  -0.00330   0.00383   1.73309
   A12        2.03486   0.00000   0.00622  -0.00313   0.00312   2.03798
   A13        1.94066  -0.00002   0.00421  -0.00249   0.00175   1.94242
   A14        2.02381  -0.00002   0.00796  -0.00392   0.00407   2.02788
   A15        2.42943  -0.00001   0.00672  -0.00332   0.00342   2.43285
   A16        1.57833   0.00007  -0.02779   0.00915  -0.01880   1.55953
   A17        1.77758   0.00005  -0.01520   0.00372  -0.01147   1.76611
   A18        1.55646   0.00004   0.00152  -0.00209  -0.00063   1.55582
   A19        1.70087  -0.00002   0.00150  -0.00495  -0.00345   1.69743
   A20        2.18443   0.00002  -0.01130   0.00163  -0.00954   2.17489
   A21        2.40109   0.00003  -0.00609  -0.00103  -0.00705   2.39404
   A22        0.64169   0.00000   0.00032  -0.00040  -0.00007   0.64162
   A23        0.65910  -0.00002   0.00047  -0.00062  -0.00015   0.65894
   A24        2.39240  -0.00001  -0.00028   0.00022  -0.00005   2.39236
   A25        2.22416  -0.00002  -0.00754   0.00280  -0.00474   2.21941
   A26        2.32809  -0.00002  -0.01344   0.00493  -0.00852   2.31957
   A27        2.06439  -0.00002  -0.01464   0.00523  -0.00943   2.05496
   A28        1.81707  -0.00002  -0.00778   0.00286  -0.00493   1.81214
   A29        1.57794  -0.00003  -0.01022   0.00385  -0.00643   1.57151
   A30        1.33668   0.00003   0.00602  -0.00227   0.00379   1.34047
   A31        1.63591   0.00001   0.00573  -0.00233   0.00342   1.63934
   A32        1.58512  -0.00001   0.00496  -0.00225   0.00274   1.58785
   A33        1.73205  -0.00001   0.00940  -0.00402   0.00539   1.73744
   A34        2.03320  -0.00001   0.00583  -0.00237   0.00348   2.03668
   A35        1.84086   0.00005  -0.03525   0.01158  -0.02378   1.81709
   A36        1.90955   0.00004  -0.02056   0.00479  -0.01574   1.89381
   A37        1.56212   0.00003  -0.00872   0.00144  -0.00736   1.55477
   A38        1.58563  -0.00001  -0.00755  -0.00146  -0.00902   1.57661
   A39        2.26906   0.00001  -0.00826  -0.00078  -0.00892   2.26013
   A40        2.35889   0.00001  -0.00243  -0.00307  -0.00544   2.35345
   A41        0.68745   0.00002   0.00082  -0.00078   0.00004   0.68749
   A42        0.74346   0.00000   0.00287  -0.00271   0.00016   0.74362
   A43        2.65293   0.00002   0.00440  -0.00186   0.00255   2.65548
   A44        2.60051   0.00002  -0.00583   0.00163  -0.00420   2.59631
   A45        2.66463   0.00001  -0.01238   0.00412  -0.00829   2.65634
   A46        2.36030   0.00001  -0.01264   0.00422  -0.00844   2.35185
   A47        2.19375   0.00001  -0.00668   0.00192  -0.00479   2.18896
   A48        1.96143   0.00000  -0.00903   0.00286  -0.00624   1.95519
   A49        1.09232   0.00001   0.00714  -0.00278   0.00440   1.09672
   A50        1.45236  -0.00002   0.00698  -0.00299   0.00402   1.45638
   A51        1.55117  -0.00002   0.00710  -0.00340   0.00372   1.55489
   A52        1.78239  -0.00001   0.01097  -0.00498   0.00599   1.78838
   A53        1.78068  -0.00003   0.00616  -0.00242   0.00377   1.78445
   A54        1.70075   0.00003  -0.04090   0.01456  -0.02643   1.67432
   A55        1.64022   0.00002  -0.02365   0.00639  -0.01724   1.62298
   A56        1.24088   0.00000  -0.01477   0.00436  -0.01052   1.23036
   A57        1.21418  -0.00004  -0.01084   0.00051  -0.01038   1.20381
   A58        1.93942  -0.00002  -0.00735  -0.00063  -0.00789   1.93154
   A59        1.98323  -0.00002  -0.00293  -0.00224  -0.00512   1.97810
   A60        0.84100   0.00000  -0.00303   0.00224  -0.00077   0.84023
   A61        0.77621   0.00000  -0.00196   0.00114  -0.00082   0.77539
   A62        2.59705   0.00001   0.00099   0.00239   0.00337   2.60042
   A63        2.76770  -0.00001  -0.00825   0.00506  -0.00319   2.76451
   A64        2.61623  -0.00002  -0.00784   0.00075  -0.00702   2.60921
   A65        2.39471  -0.00002  -0.01091   0.00526  -0.00564   2.38907
   A66        2.20171  -0.00003  -0.01225   0.00509  -0.00718   2.19453
   A67        0.85203   0.00003   0.00356   0.00031   0.00389   0.85592
   A68        1.22875   0.00000   0.00290   0.00048   0.00339   1.23214
   A69        1.40715  -0.00001   0.00194   0.00104   0.00297   1.41012
   A70        1.67519  -0.00001   0.00468   0.00006   0.00471   1.67990
   A71        1.51949  -0.00001   0.00333   0.00001   0.00335   1.52284
   A72        1.71295   0.00002  -0.03483   0.01005  -0.02484   1.68811
   A73        1.54891   0.00004  -0.01836   0.00217  -0.01617   1.53274
   A74        1.12040   0.00002  -0.01467   0.00222  -0.01253   1.10787
   A75        1.01689   0.00000  -0.01123  -0.00053  -0.01178   1.00511
   A76        1.77169   0.00001  -0.00064  -0.00474  -0.00535   1.76634
   A77        1.75833   0.00001   0.00116  -0.00462  -0.00346   1.75487
   A78        1.99283   0.00001   0.00189  -0.00066   0.00123   1.99406
   A79        1.94031  -0.00001  -0.00542   0.00216  -0.00328   1.93703
   A80        2.22189  -0.00002  -0.01082   0.00420  -0.00663   2.21526
   A81        2.08159  -0.00002  -0.01425   0.00531  -0.00898   2.07262
   A82        1.55381  -0.00002  -0.00796   0.00311  -0.00488   1.54893
   A83        1.38964  -0.00003  -0.01156   0.00466  -0.00697   1.38267
   A84        1.19816   0.00003   0.00343  -0.00116   0.00232   1.20048
   A85        1.38254   0.00002   0.00404  -0.00164   0.00244   1.38498
   A86        1.21380   0.00000   0.00412  -0.00204   0.00212   1.21592
   A87        1.31397   0.00001   0.00943  -0.00422   0.00524   1.31921
   A88        1.80891   0.00000   0.00444  -0.00187   0.00261   1.81152
   A89        2.27235   0.00004  -0.03467   0.01149  -0.02324   2.24910
   A90        2.32057   0.00003  -0.02242   0.00552  -0.01687   2.30370
   A91        1.92782   0.00002  -0.01461   0.00378  -0.01088   1.91695
   A92        1.85736   0.00000  -0.01464   0.00182  -0.01281   1.84455
   A93        2.61235   0.00001  -0.00429  -0.00229  -0.00645   2.60590
   A94        2.55013   0.00001   0.00266  -0.00408  -0.00138   2.54875
   A95        1.91043   0.00001   0.00176   0.00085   0.00262   1.91305
   A96        1.99397   0.00000  -0.00605   0.00412  -0.00193   1.99205
   A97        2.37218  -0.00002  -0.01000   0.00555  -0.00443   2.36775
   A98        2.32959  -0.00002  -0.01517   0.00702  -0.00816   2.32142
   A99        1.66798  -0.00002  -0.01060   0.00584  -0.00478   1.66320
   A100       1.57718  -0.00003  -0.01444   0.00735  -0.00712   1.57005
   A101       0.89086   0.00003   0.00427  -0.00222   0.00208   0.89294
   A102       1.05973   0.00003   0.00480  -0.00215   0.00268   1.06241
   A103       0.92817   0.00001   0.00443  -0.00172   0.00274   0.93090
   A104       1.08397   0.00001   0.00887  -0.00313   0.00575   1.08972
   A105       1.48600   0.00001   0.00519  -0.00238   0.00284   1.48884
   A106       2.44361   0.00003  -0.03793   0.01182  -0.02619   2.41741
   A107       2.32242   0.00004  -0.01977   0.00300  -0.01674   2.30568
   A108       1.89068   0.00002  -0.01765   0.00356  -0.01416   1.87652
   A109       1.72454   0.00002  -0.01617   0.00173  -0.01446   1.71008
   A110       2.44911   0.00001   0.00459  -0.00626  -0.00164   2.44747
   A111       2.28529   0.00002   0.00709  -0.00595   0.00112   2.28642
   A112       0.71397  -0.00001  -0.00032   0.00018  -0.00014   0.71382
   A113       1.00530   0.00000  -0.00011   0.00000  -0.00011   1.00519
   A114       0.69520   0.00000   0.00021   0.00013   0.00033   0.69553
   A115       0.98242   0.00001   0.00061  -0.00003   0.00061   0.98303
   A116       1.80653  -0.00002  -0.00064   0.00110   0.00043   1.80696
   A117       1.42458   0.00001  -0.00014   0.00104   0.00088   1.42546
   A118       1.19241   0.00002  -0.00058   0.00120   0.00062   1.19304
   A119       0.92203   0.00003  -0.00382   0.00238  -0.00143   0.92060
   A120       1.24888   0.00002   0.00062   0.00052   0.00111   1.24999
   A121       1.92656  -0.00004   0.03607  -0.01269   0.02345   1.95001
   A122       1.96939  -0.00004   0.02053  -0.00488   0.01562   1.98501
   A123       2.32584  -0.00002   0.00800  -0.00128   0.00682   2.33265
   A124       2.23590   0.00004   0.00387   0.00300   0.00687   2.24277
   A125       1.62133   0.00000   0.00890   0.00037   0.00919   1.63052
   A126       1.49223   0.00000   0.00680   0.00134   0.00811   1.50034
   A127       0.65562   0.00000   0.00044  -0.00044   0.00000   0.65563
   A128       0.66001   0.00001   0.00087  -0.00035   0.00056   0.66057
   A129       2.17205  -0.00002  -0.00348   0.00243  -0.00106   2.17099
   A130       1.79823   0.00001  -0.00245   0.00215  -0.00032   1.79792
   A131       1.50705   0.00002  -0.00443   0.00285  -0.00156   1.50549
   A132       1.21658   0.00002  -0.00630   0.00347  -0.00281   1.21377
   A133       1.64207   0.00002   0.00059   0.00069   0.00127   1.64335
   A134       1.77025  -0.00002   0.03957  -0.01482   0.02481   1.79506
   A135       1.96590  -0.00004   0.02627  -0.00726   0.01899   1.98489
   A136       2.39509  -0.00001   0.02290  -0.00728   0.01572   2.41081
   A137       2.46836   0.00003   0.01682  -0.00225   0.01465   2.48301
   A138       1.72914   0.00000   0.01062  -0.00022   0.01035   1.73949
   A139       1.69847   0.00000   0.00922   0.00047   0.00966   1.70813
   A140       0.70422   0.00000   0.00059  -0.00026   0.00033   0.70455
   A141       0.83225   0.00001   0.00081  -0.00046   0.00038   0.83263
   A142       2.49642  -0.00002   0.00230  -0.00015   0.00217   2.49859
   A143       2.11625   0.00001   0.00215   0.00011   0.00227   2.11852
   A144       1.90230   0.00001  -0.00202   0.00180  -0.00020   1.90210
   A145       1.62076   0.00002  -0.00524   0.00297  -0.00225   1.61850
   A146       1.83199   0.00003   0.00560  -0.00147   0.00412   1.83612
   A147       1.34449  -0.00001   0.03940  -0.01476   0.02470   1.36919
   A148       1.57856  -0.00003   0.02706  -0.00776   0.01930   1.59786
   A149       2.00914   0.00000   0.02717  -0.00912   0.01810   2.02724
   A150       2.18167   0.00001   0.02637  -0.00701   0.01936   2.20103
   A151       1.43137   0.00001   0.01069  -0.00061   0.01007   1.44143
   A152       1.49900   0.00001   0.01062  -0.00065   0.00997   1.50896
   A153       0.76500   0.00001   0.00085  -0.00068   0.00017   0.76517
   A154       0.76620   0.00001   0.00096  -0.00088   0.00009   0.76629
   A155       2.80869  -0.00002   0.00089   0.00036   0.00131   2.81000
   A156       2.42577   0.00001   0.00111   0.00046   0.00160   2.42737
   A157       2.16185   0.00001  -0.00447   0.00257  -0.00187   2.15998
   A158       1.87008   0.00002  -0.00614   0.00310  -0.00300   1.86708
   A159       2.14213   0.00002   0.00634  -0.00176   0.00459   2.14672
   A160       1.20650   0.00001   0.03706  -0.01420   0.02290   1.22940
   A161       1.52597  -0.00003   0.02612  -0.00774   0.01841   1.54438
   A162       1.92358   0.00000   0.03031  -0.01059   0.01978   1.94336
   A163       2.17961  -0.00002   0.03008  -0.00968   0.02042   2.20002
   A164       1.50334   0.00001   0.00950  -0.00061   0.00891   1.51226
   A165       1.64879   0.00001   0.01044  -0.00108   0.00937   1.65815
   A166       2.16669  -0.00002  -0.00993   0.00501  -0.00493   2.16176
   A167       1.86682   0.00001  -0.00806   0.00437  -0.00369   1.86313
   A168       1.48298   0.00000  -0.00945   0.00472  -0.00472   1.47826
   A169       1.20303   0.00002  -0.00821   0.00409  -0.00410   1.19893
   A170       1.87124   0.00001  -0.00366   0.00239  -0.00127   1.86997
   A171       1.97088   0.00001   0.03742  -0.01478   0.02269   1.99357
   A172       2.27276  -0.00002   0.02770  -0.00829   0.01941   2.29217
   A173       2.68803   0.00000   0.03088  -0.01108   0.01987   2.70790
   A174       2.11613   0.00001   0.01134  -0.00059   0.01071   2.12683
   A175       2.10582   0.00001   0.00976   0.00030   0.01004   2.11586
   A176       2.27645  -0.00002  -0.01291   0.00623  -0.00669   2.26977
   A177       2.05561   0.00000  -0.01044   0.00538  -0.00505   2.05056
   A178       1.64677   0.00000  -0.01140   0.00551  -0.00586   1.64091
   A179       1.39373   0.00002  -0.00825   0.00412  -0.00409   1.38963
   A180       2.13777   0.00001  -0.00480   0.00290  -0.00187   2.13590
   A181       1.90060   0.00003   0.03149  -0.01332   0.01825   1.91885
   A182       2.27057  -0.00001   0.02514  -0.00843   0.01677   2.28734
   A183       2.58805   0.00001   0.02927  -0.01180   0.01758   2.60562
   A184       2.25345   0.00002   0.01116  -0.00127   0.00991   2.26335
   A185       2.32233   0.00002   0.01114  -0.00068   0.01047   2.33280
   A186       0.69179  -0.00003  -0.00001   0.00006   0.00003   0.69182
   A187       0.98220  -0.00004   0.00039   0.00005   0.00038   0.98258
   A188       0.70079  -0.00004  -0.00037  -0.00001  -0.00040   0.70039
   A189       2.10604  -0.00001  -0.01944   0.00722  -0.01212   2.09392
   A190       1.72929   0.00003  -0.01004   0.00169  -0.00837   1.72093
   A191       1.39958   0.00001  -0.01973   0.00628  -0.01351   1.38607
   A192       1.09604   0.00005  -0.01802   0.00593  -0.01213   1.08392
   A193       1.61955  -0.00001   0.00660  -0.00488   0.00165   1.62120
   A194       1.40251  -0.00001   0.00443  -0.00375   0.00064   1.40315
   A195       0.66701  -0.00001  -0.00077   0.00070  -0.00013   0.66687
   A196       2.25333  -0.00005  -0.00562   0.00274  -0.00268   2.25064
   A197       1.85734   0.00000  -0.00324   0.00026  -0.00301   1.85433
   A198       1.63831  -0.00001  -0.01787   0.00611  -0.01181   1.62649
   A199       1.31815   0.00004  -0.01570   0.00650  -0.00926   1.30889
   A200       1.60976  -0.00001   0.00988  -0.00458   0.00520   1.61496
   A201       1.33889  -0.00001   0.00702  -0.00318   0.00379   1.34268
   A202       0.70929   0.00000   0.00116  -0.00027   0.00087   0.71016
   A203       2.63773  -0.00005   0.00302  -0.00001   0.00343   2.64116
   A204       2.25344   0.00001  -0.00013  -0.00020  -0.00036   2.25309
   A205       2.04834  -0.00001  -0.01791   0.00625  -0.01173   2.03660
   A206       1.72871   0.00004  -0.01571   0.00653  -0.00926   1.71945
   A207       1.94859   0.00000   0.01168  -0.00395   0.00760   1.95619
   A208       1.66355   0.00000   0.00856  -0.00244   0.00605   1.66961
   A209       0.83636  -0.00001  -0.00274   0.00141  -0.00139   0.83498
   A210       2.67979  -0.00006   0.01785  -0.00467   0.01350   2.69329
   A211       2.38463  -0.00002   0.00216   0.00041   0.00250   2.38713
   A212       2.29284  -0.00002  -0.01823   0.00701  -0.01133   2.28151
   A213       1.97498   0.00003  -0.01609   0.00761  -0.00860   1.96638
   A214       2.00801  -0.00001   0.00714  -0.00076   0.00623   2.01424
   A215       1.72907  -0.00001   0.00401   0.00059   0.00452   1.73359
   A216       1.93066  -0.00005   0.00531  -0.00066   0.00480   1.93546
   A217       1.56334   0.00000   0.00235  -0.00061   0.00169   1.56503
   A218       1.49010  -0.00001  -0.01333   0.00539  -0.00798   1.48212
   A219       1.19557   0.00005  -0.01063   0.00650  -0.00419   1.19138
   A220       1.23981   0.00001   0.01043  -0.00376   0.00657   1.24638
   A221       0.95581   0.00000   0.00727  -0.00232   0.00491   0.96073
   A222       0.72028  -0.00001  -0.00475   0.00294  -0.00188   0.71840
   A223       1.01066  -0.00006  -0.00213   0.00177  -0.00041   1.01025
   A224       0.69753  -0.00005  -0.00008   0.00100   0.00085   0.69838
   A225       0.98327  -0.00005   0.00257  -0.00033   0.00219   0.98547
   A226       0.65502   0.00000   0.00470  -0.00239   0.00226   0.65727
   A227       0.66476  -0.00001   0.00182  -0.00131   0.00041   0.66517
   A228       0.70782  -0.00002   0.00262  -0.00288  -0.00035   0.70747
   A229       0.84905  -0.00001  -0.00414  -0.00031  -0.00454   0.84451
   A230       0.75711   0.00001   0.01306  -0.00502   0.00792   0.76503
   A231       0.77333   0.00003   0.00514  -0.00146   0.00354   0.77687
   A232       1.57809   0.00021   0.00394   0.00058   0.00450   1.58259
   A233       1.87241   0.00002  -0.00407   0.00221  -0.00186   1.87056
   A234       2.18963   0.00010  -0.00001   0.00026   0.00026   2.18989
   A235       2.12984  -0.00008  -0.00049   0.00042  -0.00009   2.12976
   A236       1.96326  -0.00002   0.00061  -0.00071  -0.00009   1.96317
   A237       2.12412   0.00005   0.00028   0.00035   0.00062   2.12474
   A238       2.12721  -0.00004  -0.00108   0.00050  -0.00062   2.12659
   A239       2.03128  -0.00001   0.00064  -0.00068   0.00002   2.03130
   A240       1.84531  -0.00005  -0.01944   0.01631  -0.00313   1.84219
   A241       2.52858   0.00008   0.01974  -0.01650   0.00326   2.53184
   A242       1.91357  -0.00002   0.00018   0.00028   0.00043   1.91400
   A243       1.91527   0.00013   0.00136  -0.00083   0.00061   1.91588
   A244       1.91280   0.00003   0.00489  -0.00414   0.00081   1.91362
   A245       1.91092  -0.00002  -0.00081   0.00082  -0.00001   1.91091
   A246       1.90894  -0.00004  -0.00051   0.00033  -0.00018   1.90876
   A247       1.90226  -0.00008  -0.00516   0.00355  -0.00167   1.90059
   A248       1.27295   0.00008   0.01208  -0.01038   0.00169   1.27464
   A249       1.90454  -0.00007   0.00083  -0.00131  -0.00048   1.90407
   A250       1.91000   0.00001  -0.00032   0.00028  -0.00005   1.90994
   A251       1.92713   0.00008   0.00024   0.00041   0.00063   1.92777
   A252       1.91110   0.00001  -0.00049   0.00037  -0.00010   1.91100
   A253       1.89820   0.00001  -0.00052   0.00054   0.00002   1.89822
   A254       1.91274  -0.00005   0.00025  -0.00028  -0.00003   1.91271
   A255       1.71682   0.00008   0.00567  -0.00262   0.00305   1.71988
   A256       1.76817  -0.00003  -0.00086  -0.00106  -0.00192   1.76624
   A257       2.19026   0.00004   0.00066  -0.00027   0.00039   2.19065
   A258       2.13027  -0.00002  -0.00035   0.00009  -0.00026   2.13002
   A259       1.96245  -0.00002  -0.00030   0.00016  -0.00014   1.96230
   A260       2.12491   0.00000  -0.00010  -0.00020  -0.00027   2.12464
   A261       2.12312   0.00000   0.00020   0.00008   0.00028   2.12340
   A262       2.03477   0.00001   0.00007  -0.00001   0.00004   2.03480
   A263       1.34821   0.00004   0.00198  -0.00216  -0.00018   1.34803
   A264       1.90054   0.00000  -0.00032  -0.00004  -0.00035   1.90018
   A265       1.93118   0.00001   0.00031   0.00005   0.00036   1.93154
   A266       1.91002   0.00000   0.00019  -0.00026  -0.00009   1.90993
   A267       1.89702   0.00000   0.00050  -0.00014   0.00035   1.89737
   A268       1.91308   0.00001  -0.00007   0.00008   0.00003   1.91312
   A269       1.91186  -0.00002  -0.00061   0.00030  -0.00030   1.91156
   A270       2.66597   0.00001   0.00032   0.00070   0.00102   2.66699
   A271       1.69761  -0.00001  -0.00061  -0.00054  -0.00114   1.69647
   A272       1.92447  -0.00002   0.00029  -0.00001   0.00028   1.92474
   A273       1.91257   0.00003   0.00035  -0.00004   0.00039   1.91296
   A274       1.91332   0.00002   0.00028  -0.00025   0.00002   1.91335
   A275       1.89466   0.00000  -0.00039   0.00024  -0.00018   1.89448
   A276       1.91096   0.00000   0.00012  -0.00014  -0.00002   1.91093
   A277       1.90768  -0.00003  -0.00066   0.00021  -0.00049   1.90719
   A278       1.79473   0.00004   0.00823  -0.00040   0.00781   1.80254
   A279       1.75964  -0.00004  -0.00452  -0.00072  -0.00523   1.75441
   A280       2.19106  -0.00002  -0.00248   0.00125  -0.00123   2.18983
   A281       2.12913   0.00004   0.00248  -0.00121   0.00128   2.13041
   A282       1.96289  -0.00001   0.00004  -0.00007  -0.00003   1.96286
   A283       2.12311  -0.00003  -0.00035  -0.00005  -0.00041   2.12270
   A284       2.11685   0.00000  -0.00154   0.00068  -0.00086   2.11599
   A285       2.04064   0.00003   0.00178  -0.00065   0.00114   2.04178
   A286       2.68273   0.00006   0.01826  -0.00668   0.01156   2.69430
   A287       1.67620  -0.00005  -0.01763   0.00663  -0.01099   1.66521
   A288       1.92592  -0.00001   0.00023   0.00029   0.00045   1.92637
   A289       1.91654   0.00000  -0.00187   0.00138  -0.00055   1.91599
   A290       1.91229   0.00000   0.00023  -0.00041  -0.00014   1.91216
   A291       1.88977   0.00002   0.00185  -0.00100   0.00092   1.89068
   A292       1.91283  -0.00001   0.00002  -0.00044  -0.00041   1.91242
   A293       1.90625   0.00000  -0.00045   0.00018  -0.00027   1.90599
   A294       1.36481  -0.00002  -0.01519   0.00710  -0.00810   1.35671
   A295       1.14365   0.00002   0.01049  -0.00471   0.00578   1.14943
   A296       1.93119  -0.00001   0.00151  -0.00053   0.00096   1.93214
   A297       1.90734  -0.00001  -0.00047   0.00008  -0.00037   1.90697
   A298       1.90313   0.00001  -0.00164   0.00063  -0.00097   1.90217
   A299       1.90985   0.00003  -0.00022   0.00007  -0.00015   1.90970
   A300       1.89667   0.00000   0.00175  -0.00052   0.00123   1.89789
   A301       1.91560   0.00000  -0.00095   0.00027  -0.00070   1.91490
   A302       1.69672  -0.00029   0.02954  -0.01941   0.01007   1.70679
   A303       1.78080   0.00003  -0.00805  -0.00116  -0.00917   1.77163
   A304       2.19113  -0.00012   0.00064   0.00057   0.00107   2.19220
   A305       2.12889   0.00011   0.00170  -0.00142   0.00032   2.12921
   A306       1.96289   0.00001  -0.00235   0.00085  -0.00138   1.96151
   A307       2.12333   0.00003  -0.00058   0.00196   0.00162   2.12495
   A308       2.12285   0.00005  -0.00054   0.00012  -0.00050   2.12235
   A309       2.03564  -0.00008   0.00243  -0.00332  -0.00083   2.03481
   A310       1.28286   0.00018   0.05249  -0.00607   0.04617   1.32903
   A311       3.07548  -0.00008  -0.05566   0.00826  -0.04729   3.02819
   A312       1.90870   0.00008  -0.00094   0.00122   0.00035   1.90905
   A313       1.92763   0.00004   0.00277   0.00198   0.00613   1.93376
   A314       1.89847   0.00013   0.00418  -0.00154   0.00266   1.90113
   A315       1.91284  -0.00012   0.00081  -0.00248  -0.00228   1.91056
   A316       1.91248   0.00002  -0.00158   0.00175  -0.00002   1.91246
   A317       1.90361  -0.00015  -0.00528  -0.00091  -0.00687   1.89675
   A318       1.75698   0.00000  -0.03891   0.01699  -0.02190   1.73508
   A319       1.91517  -0.00006  -0.00238   0.00193  -0.00044   1.91472
   A320       1.91501   0.00006  -0.00067   0.00103   0.00039   1.91540
   A321       1.92210   0.00001   0.00344  -0.00258   0.00082   1.92293
   A322       1.90624  -0.00001  -0.00111   0.00097  -0.00013   1.90611
   A323       1.90977   0.00003   0.00171  -0.00145   0.00026   1.91004
   A324       1.89534  -0.00002  -0.00101   0.00010  -0.00092   1.89443
   A325       2.94153  -0.00002  -0.01105   0.00288  -0.00817   2.93337
   A326       3.35849  -0.00005  -0.00533  -0.00254  -0.00788   3.35061
   A327       3.07799  -0.00006  -0.00670  -0.00195  -0.00871   3.06928
   A328       3.18569   0.00002   0.01233  -0.01067   0.00166   3.18735
   A329       3.26007   0.00002   0.00137  -0.00186  -0.00048   3.25959
   A330       3.27466   0.00000  -0.01541   0.00717  -0.00825   3.26640
   A331       3.66676   0.00003  -0.03720   0.01554  -0.02164   3.64512
   A332       3.21694   0.00000  -0.00892   0.00652  -0.00242   3.21452
   A333       2.97966  -0.00003   0.02817  -0.01032   0.01789   2.99754
   A334       2.91203  -0.00002   0.03211  -0.01213   0.02001   2.93203
   A335       3.22705   0.00005   0.00189  -0.00067   0.00124   3.22829
   A336       3.07853   0.00000   0.00070   0.00028   0.00098   3.07951
   A337       3.09824   0.00003   0.00569  -0.00212   0.00356   3.10180
   A338       3.04076   0.00004  -0.00352   0.00165  -0.00192   3.03884
    D1        2.75982   0.00003  -0.00160   0.00009  -0.00151   2.75831
    D2       -1.36091   0.00003  -0.00155   0.00124  -0.00030  -1.36121
    D3        2.78907   0.00000  -0.00945   0.00621  -0.00325   2.78582
    D4       -1.33166   0.00000  -0.00939   0.00736  -0.00204  -1.33370
    D5        1.66624   0.00000  -0.00227   0.00036  -0.00193   1.66430
    D6       -2.45449   0.00000  -0.00221   0.00151  -0.00073  -2.45522
    D7        1.85066  -0.00001  -0.00618   0.00380  -0.00239   1.84828
    D8       -2.27007  -0.00001  -0.00613   0.00495  -0.00118  -2.27125
    D9        0.33413  -0.00002  -0.01242   0.00450  -0.00794   0.32619
   D10        2.49658  -0.00002  -0.01237   0.00565  -0.00673   2.48985
   D11        0.04313  -0.00001  -0.00342   0.00074  -0.00270   0.04043
   D12        2.20558  -0.00001  -0.00337   0.00189  -0.00149   2.20409
   D13       -0.42786   0.00000  -0.00052  -0.00031  -0.00084  -0.42870
   D14        1.73459   0.00000  -0.00047   0.00084   0.00037   1.73496
   D15       -0.54964  -0.00001   0.00179  -0.00106   0.00073  -0.54891
   D16        1.61282  -0.00001   0.00185   0.00009   0.00194   1.61476
   D17        0.21899  -0.00001   0.00209  -0.00154   0.00054   0.21954
   D18        2.38145   0.00000   0.00215  -0.00039   0.00175   2.38320
   D19        0.15136   0.00000   0.00603  -0.00335   0.00266   0.15403
   D20        2.31382   0.00000   0.00608  -0.00220   0.00387   2.31769
   D21        2.41397  -0.00003  -0.00842   0.00354  -0.00488   2.40909
   D22       -1.70676  -0.00003  -0.00836   0.00470  -0.00367  -1.71043
   D23        2.16989  -0.00002  -0.00934   0.00398  -0.00536   2.16453
   D24       -1.95084  -0.00001  -0.00929   0.00513  -0.00415  -1.95500
   D25        1.72907  -0.00002  -0.01044   0.00430  -0.00612   1.72295
   D26       -2.39166  -0.00001  -0.01038   0.00545  -0.00491  -2.39657
   D27        1.42258   0.00000  -0.01125   0.00457  -0.00663   1.41595
   D28       -2.69815   0.00000  -0.01120   0.00572  -0.00542  -2.70357
   D29        2.37865  -0.00004  -0.00841   0.00326  -0.00515   2.37350
   D30       -1.74208  -0.00004  -0.00835   0.00441  -0.00394  -1.74602
   D31       -1.75421  -0.00003  -0.03273   0.01230  -0.02037  -1.77458
   D32        0.40825  -0.00002  -0.03267   0.01346  -0.01916   0.38909
   D33       -2.10029   0.00002  -0.02029   0.00526  -0.01502  -2.11530
   D34        0.06217   0.00002  -0.02024   0.00641  -0.01381   0.04836
   D35       -2.47418  -0.00001  -0.02848   0.00970  -0.01885  -2.49303
   D36       -0.31173  -0.00001  -0.02843   0.01086  -0.01764  -0.32937
   D37       -2.76066   0.00002  -0.02608   0.00878  -0.01734  -2.77801
   D38       -0.59821   0.00002  -0.02602   0.00993  -0.01614  -0.61434
   D39       -2.12462  -0.00001   0.00181  -0.00457  -0.00274  -2.12736
   D40        0.03783   0.00000   0.00187  -0.00342  -0.00153   0.03631
   D41       -2.37508  -0.00001   0.00528  -0.00567  -0.00037  -2.37545
   D42       -0.21262  -0.00001   0.00533  -0.00452   0.00084  -0.21179
   D43        1.25196   0.00006   0.01194  -0.00882   0.00314   1.25510
   D44       -1.92421   0.00002   0.00224  -0.00135   0.00090  -1.92331
   D45        2.45069  -0.00003   0.00960  -0.00756   0.00202   2.45272
   D46       -0.72548  -0.00007  -0.00011  -0.00009  -0.00021  -0.72569
   D47        2.93943  -0.00004   0.00672  -0.00507   0.00165   2.94108
   D48       -0.23674  -0.00008  -0.00299   0.00240  -0.00059  -0.23732
   D49        2.86415   0.00004  -0.00232  -0.00480  -0.00710   2.85704
   D50       -0.31203   0.00001  -0.01203   0.00267  -0.00933  -0.32136
   D51        2.05274   0.00002   0.00239  -0.00623  -0.00389   2.04885
   D52       -1.12343  -0.00002  -0.00732   0.00124  -0.00613  -1.12956
   D53        1.16005   0.00000   0.01570  -0.01014   0.00557   1.16562
   D54       -2.01612  -0.00003   0.00600  -0.00266   0.00334  -2.01278
   D55        1.01427   0.00000   0.01939  -0.01132   0.00808   1.02236
   D56       -2.16190  -0.00003   0.00968  -0.00385   0.00585  -2.15605
   D57        2.01815   0.00002   0.01308  -0.00999   0.00308   2.02123
   D58       -1.15802  -0.00001   0.00338  -0.00252   0.00084  -1.15718
   D59        1.82165   0.00002   0.01679  -0.01143   0.00534   1.82699
   D60       -1.35453  -0.00001   0.00708  -0.00395   0.00311  -1.35141
   D61       -2.27629   0.00000   0.00624  -0.00572   0.00051  -2.27578
   D62        0.83072  -0.00004  -0.00347   0.00175  -0.00172   0.82900
   D63       -2.41436   0.00002   0.00756  -0.00657   0.00099  -2.41337
   D64        0.69265  -0.00002  -0.00215   0.00090  -0.00124   0.69141
   D65       -2.81665   0.00001   0.00727  -0.00683   0.00046  -2.81620
   D66        0.29036  -0.00002  -0.00244   0.00064  -0.00178   0.28858
   D67       -2.99733   0.00003   0.01042  -0.00837   0.00209  -2.99524
   D68        0.10968   0.00000   0.00071  -0.00090  -0.00014   0.10954
   D69       -2.14081   0.00001   0.00927  -0.00765   0.00163  -2.13919
   D70        0.96620  -0.00002  -0.00043  -0.00017  -0.00061   0.96559
   D71       -0.16836  -0.00003   0.00461  -0.00472  -0.00001  -0.16837
   D72        2.93866  -0.00007  -0.00509   0.00275  -0.00224   2.93641
   D73       -0.56285   0.00002   0.00695  -0.00708  -0.00012  -0.56297
   D74        2.54416  -0.00002  -0.00275   0.00039  -0.00236   2.54181
   D75       -0.73077   0.00001  -0.01183   0.00034  -0.01148  -0.74226
   D76        2.37624  -0.00002  -0.02154   0.00781  -0.01372   2.36252
   D77       -1.06979   0.00007  -0.01144   0.00141  -0.01005  -1.07984
   D78        2.03722   0.00003  -0.02114   0.00888  -0.01228   2.02494
   D79       -0.84747   0.00001   0.02171  -0.01259   0.00905  -0.83843
   D80        2.25954  -0.00003   0.01201  -0.00512   0.00681   2.26635
   D81       -1.15319   0.00000   0.01962  -0.01103   0.00855  -1.14464
   D82        1.95382  -0.00003   0.00992  -0.00356   0.00632   1.96014
   D83       -1.53870   0.00003   0.00585  -0.00475   0.00112  -1.53758
   D84       -2.61213  -0.00004   0.00365  -0.00319   0.00050  -2.61163
   D85       -2.94645   0.00000  -0.00218   0.00161  -0.00054  -2.94700
   D86        0.73771  -0.00001  -0.00363  -0.00118  -0.00478   0.73293
   D87        0.31374  -0.00001  -0.00179  -0.00208  -0.00385   0.30989
   D88       -0.05850  -0.00001  -0.00559  -0.00050  -0.00610  -0.06459
   D89       -0.39777  -0.00001  -0.00087  -0.00215  -0.00301  -0.40078
   D90        0.18202   0.00000   0.00461  -0.00458   0.00005   0.18208
   D91       -0.05662   0.00000   0.00636  -0.00537   0.00098  -0.05564
   D92        2.40804  -0.00002  -0.00361  -0.00016  -0.00375   2.40429
   D93        2.05777   0.00001  -0.00231  -0.00063  -0.00291   2.05485
   D94        1.66542   0.00001  -0.00246  -0.00073  -0.00314   1.66229
   D95        1.37669   0.00002  -0.00098  -0.00156  -0.00244   1.37425
   D96        2.05799   0.00001  -0.00090  -0.00145  -0.00233   2.05566
   D97       -1.90734  -0.00002  -0.02341   0.00764  -0.01592  -1.92325
   D98       -2.43717   0.00003  -0.00326  -0.00170  -0.00493  -2.44210
   D99       -2.65239   0.00000  -0.01738   0.00467  -0.01273  -2.66512
   D100      -2.98185   0.00006  -0.01345   0.00526  -0.00821  -2.99006
   D101      -2.90438   0.00003   0.02793  -0.01168   0.01613  -2.88825
   D102       2.84858   0.00001   0.01967  -0.00521   0.01434   2.86293
   D103      -2.91485   0.00000   0.02328  -0.00955   0.01375  -2.90110
   D104       1.18311   0.00001   0.02195  -0.00839   0.01358   1.19669
   D105       2.79571   0.00002   0.02468  -0.00915   0.01553   2.81124
   D106       0.61049   0.00002   0.02335  -0.00799   0.01536   0.62585
   D107       2.29725  -0.00004   0.02764  -0.00938   0.01824   2.31549
   D108       0.11203  -0.00003   0.02631  -0.00823   0.01807   0.13010
   D109       1.74312   0.00002   0.02413  -0.00937   0.01475   1.75787
   D110      -0.44210   0.00002   0.02280  -0.00821   0.01458  -0.42752
   D111       2.58049   0.00002   0.02025  -0.00791   0.01235   2.59285
   D112       0.39528   0.00002   0.01892  -0.00676   0.01218   0.40746
   D113       2.24323   0.00002   0.02094  -0.00904   0.01190   2.25513
   D114       0.05801   0.00003   0.01961  -0.00789   0.01173   0.06974
   D115      -1.61256  -0.00002   0.00168  -0.00078   0.00089  -1.61167
   D116       2.48541  -0.00002   0.00035   0.00037   0.00071   2.48612
   D117      -1.77460  -0.00001   0.00201  -0.00116   0.00084  -1.77376
   D118       2.32337  -0.00001   0.00069  -0.00001   0.00067   2.32403
   D119      -2.73522  -0.00002   0.00056  -0.00012   0.00044  -2.73478
   D120       1.36275  -0.00002  -0.00077   0.00104   0.00026   1.36302
   D121      -2.69877  -0.00002   0.00097  -0.00008   0.00086  -2.69791
   D122       1.39919  -0.00002  -0.00036   0.00107   0.00069   1.39989
   D123       1.31711  -0.00001   0.01651  -0.00700   0.00949   1.32660
   D124      -0.86811   0.00000   0.01518  -0.00585   0.00932  -0.85879
   D125       1.28671  -0.00001   0.01628  -0.00677   0.00949   1.29620
   D126      -0.89850   0.00000   0.01495  -0.00562   0.00932  -0.88919
   D127       1.64166   0.00000   0.01663  -0.00669   0.00993   1.65159
   D128      -0.54355   0.00001   0.01530  -0.00553   0.00976  -0.53380
   D129       1.77107  -0.00002   0.01082  -0.00433   0.00646   1.77752
   D130      -0.41415  -0.00001   0.00950  -0.00317   0.00628  -0.40786
   D131       0.88659   0.00001   0.01549  -0.00620   0.00928   0.89587
   D132      -1.29863   0.00001   0.01416  -0.00504   0.00911  -1.28952
   D133      -0.95977   0.00005   0.01800  -0.00870   0.00923  -0.95054
   D134       3.13820   0.00005   0.01667  -0.00754   0.00906  -3.13593
   D135      -0.53466  -0.00002   0.02074  -0.00769   0.01307  -0.52160
   D136      -2.71988  -0.00001   0.01941  -0.00653   0.01289  -2.70699
   D137      -0.23911  -0.00001   0.04289  -0.01648   0.02644  -0.21267
   D138      -2.42433   0.00000   0.04157  -0.01532   0.02627  -2.39806
   D139       0.16775  -0.00005   0.04038  -0.01511   0.02533   0.19308
   D140      -2.01747  -0.00005   0.03906  -0.01396   0.02516  -1.99231
   D141      -0.31607   0.00000   0.00758  -0.00213   0.00552  -0.31055
   D142      -2.50129   0.00000   0.00625  -0.00097   0.00534  -2.49594
   D143      -0.06079   0.00000   0.01008  -0.00333   0.00678  -0.05402
   D144      -2.24601   0.00001   0.00875  -0.00217   0.00660  -2.23940
   D145      -2.47684  -0.00003   0.00844  -0.00321   0.00520  -2.47164
   D146      -2.73011  -0.00001   0.01036  -0.00325   0.00710  -2.72300
   D147      -2.41379   0.00001   0.00560  -0.00226   0.00331  -2.41048
   D148       2.99575   0.00002   0.01622  -0.00583   0.01042   3.00617
   D149       2.61041   0.00004   0.02163  -0.00756   0.01415   2.62457
   D150       1.51806  -0.00002  -0.00007   0.00034   0.00026   1.51832
   D151       2.61904  -0.00001   0.00010   0.00061   0.00069   2.61972
   D152       2.99326   0.00000   0.00037   0.00064   0.00102   2.99428
   D153       1.17101   0.00001   0.02371  -0.00994   0.01374   1.18475
   D154       1.23667   0.00000   0.01664  -0.00672   0.00989   1.24657
   D155       1.62874   0.00001   0.01451  -0.00533   0.00916   1.63790
   D156       1.71047  -0.00001   0.00652  -0.00207   0.00441   1.71488
   D157       0.88907   0.00000   0.01214  -0.00476   0.00736   0.89643
   D158      -0.99955   0.00006  -0.00102  -0.00127  -0.00231  -1.00187
   D159      -0.67608   0.00001   0.00232  -0.00204   0.00034  -0.67574
   D160      -0.71488   0.00001   0.01693  -0.00762   0.00932  -0.70557
   D161      -0.40216  -0.00007   0.01956  -0.01121   0.00832  -0.39384
   D162      -0.29496   0.00000  -0.00124  -0.00092  -0.00207  -0.29703
   D163      -0.01557   0.00000   0.00177  -0.00245  -0.00064  -0.01621
   D164      -1.29428  -0.00001   0.01616  -0.00615   0.01000  -1.28428
   D165       1.65773  -0.00001   0.01421  -0.00606   0.00815   1.66588
   D166      -1.66621   0.00000   0.01550  -0.00517   0.01032  -1.65589
   D167       1.28580   0.00000   0.01356  -0.00508   0.00847   1.29427
   D168      -1.74652  -0.00001   0.01497  -0.00485   0.01013  -1.73639
   D169       1.20549  -0.00002   0.01302  -0.00476   0.00828   1.21377
   D170      -2.00141   0.00001   0.00915   0.00088   0.00997  -1.99144
   D171       0.95060   0.00001   0.00720   0.00097   0.00812   0.95873
   D172      -2.01580   0.00001   0.01673  -0.00603   0.01072  -2.00508
   D173       0.93622   0.00001   0.01479  -0.00593   0.00887   0.94508
   D174      -2.31883   0.00002   0.01672  -0.00572   0.01101  -2.30782
   D175       0.63319   0.00002   0.01478  -0.00563   0.00916   0.64235
   D176       1.97584  -0.00003   0.00046   0.00036   0.00083   1.97667
   D177      -1.35533  -0.00003  -0.00148   0.00046  -0.00102  -1.35635
   D178       0.82879  -0.00001   0.00164  -0.00005   0.00159   0.83038
   D179      -2.50238  -0.00001  -0.00031   0.00005  -0.00027  -2.50264
   D180       0.36416  -0.00001   0.00196  -0.00033   0.00161   0.36578
   D181      -2.96701  -0.00001   0.00001  -0.00024  -0.00024  -2.96725
   D182      -3.11818  -0.00002   0.01490  -0.00514   0.00975  -3.10843
   D183      -0.16616  -0.00002   0.01295  -0.00505   0.00790  -0.15827
   D184       2.89883   0.00000   0.01433  -0.00494   0.00939   2.90822
   D185      -0.43234   0.00000   0.01238  -0.00484   0.00754  -0.42480
   D186       3.05348   0.00001   0.01200  -0.00378   0.00822   3.06170
   D187      -0.27769   0.00000   0.01005  -0.00369   0.00636  -0.27132
   D188       2.96553   0.00000   0.00412  -0.00062   0.00350   2.96903
   D189      -0.36564   0.00000   0.00218  -0.00053   0.00164  -0.36399
   D190       2.45247   0.00001   0.01478  -0.00519   0.00959   2.46206
   D191      -0.87870   0.00001   0.01283  -0.00510   0.00773  -0.87096
   D192       0.32155   0.00005  -0.01364   0.00330  -0.01028   0.31127
   D193      -3.00962   0.00005  -0.01558   0.00339  -0.01213  -3.02175
   D194       0.62716   0.00001  -0.00024  -0.00213  -0.00226   0.62490
   D195      -2.70401   0.00001  -0.00219  -0.00204  -0.00412  -2.70812
   D196       0.42274   0.00002   0.01732  -0.01027   0.00681   0.42955
   D197      -2.90843   0.00002   0.01537  -0.01018   0.00496  -2.90347
   D198       1.09321   0.00000   0.00233  -0.00195   0.00050   1.09371
   D199      -2.23796   0.00000   0.00039  -0.00186  -0.00136  -2.23931
   D200       1.42676   0.00001   0.00818  -0.00370   0.00452   1.43128
   D201      -1.90441   0.00000   0.00624  -0.00361   0.00266  -1.90175
   D202       1.60240   0.00006   0.00739  -0.00174   0.00564   1.60804
   D203      -0.60778   0.00003   0.00323   0.00006   0.00328  -0.60450
   D204       1.67698   0.00004   0.00504  -0.00086   0.00418   1.68116
   D205      -0.53320   0.00000   0.00088   0.00094   0.00182  -0.53138
   D206       1.36029   0.00001   0.00318   0.00068   0.00385   1.36414
   D207      -0.84989  -0.00002  -0.00098   0.00248   0.00149  -0.84840
   D208       1.19395   0.00004   0.00898  -0.00375   0.00523   1.19918
   D209      -1.01623   0.00000   0.00482  -0.00195   0.00287  -1.01336
   D210       2.10976   0.00002   0.00281   0.00024   0.00304   2.11280
   D211      -0.10042  -0.00001  -0.00135   0.00204   0.00068  -0.09974
   D212       2.22739   0.00001   0.00249  -0.00111   0.00135   2.22874
   D213       0.01721  -0.00003  -0.00167   0.00070  -0.00101   0.01620
   D214      -2.23606   0.00004   0.00542  -0.00096   0.00447  -2.23158
   D215       1.83695   0.00000   0.00126   0.00084   0.00212   1.83906
   D216      -2.39913   0.00004  -0.00089   0.00157   0.00068  -2.39845
   D217       1.67387   0.00000  -0.00505   0.00337  -0.00167   1.67220
   D218      -2.00495   0.00002  -0.01019   0.00585  -0.00432  -2.00927
   D219       2.06806  -0.00002  -0.01435   0.00765  -0.00668   2.06138
   D220      -2.10686   0.00003  -0.03200   0.01437  -0.01762  -2.12448
   D221       1.96615  -0.00001  -0.03616   0.01617  -0.01998   1.94617
   D222      -2.89384   0.00004   0.00092   0.00043   0.00135  -2.89249
   D223       1.17916   0.00000  -0.00323   0.00223  -0.00101   1.17816
   D224       3.05299   0.00003   0.00177  -0.00019   0.00154   3.05453
   D225       0.84281   0.00000  -0.00239   0.00161  -0.00082   0.84199
   D226      -2.71917   0.00000   0.00535  -0.00166   0.00369  -2.71548
   D227       1.35384  -0.00004   0.00119   0.00014   0.00133   1.35517
   D228      -2.66965   0.00003   0.01227  -0.00431   0.00797  -2.66168
   D229       1.40335  -0.00001   0.00811  -0.00251   0.00561   1.40897
   D230      -1.57498   0.00005   0.00766  -0.00217   0.00549  -1.56949
   D231       2.49803   0.00001   0.00350  -0.00037   0.00313   2.50116
   D232      -0.07221  -0.00004   0.04006  -0.01217   0.02811  -0.04410
   D233      -2.28239  -0.00008   0.03590  -0.01037   0.02576  -2.25664
   D234      -0.20674   0.00000   0.02372  -0.00526   0.01841  -0.18833
   D235      -2.41692  -0.00004   0.01956  -0.00346   0.01605  -2.40087
   D236       0.07399   0.00002   0.01052  -0.00124   0.00930   0.08329
   D237      -2.13619  -0.00002   0.00636   0.00056   0.00694  -2.12925
   D238      -0.03400   0.00009   0.01167   0.00145   0.01309  -0.02091
   D239      -2.24418   0.00005   0.00751   0.00325   0.01073  -2.23345
   D240      -0.60149   0.00003   0.01617  -0.00169   0.01438  -0.58711
   D241      -2.81167   0.00000   0.01201   0.00011   0.01202  -2.79964
   D242      -0.78826   0.00004   0.01384  -0.00076   0.01305  -0.77521
   D243      -2.99844   0.00000   0.00968   0.00104   0.01069  -2.98774
   D244      -2.93268   0.00003  -0.00512   0.00480  -0.00033  -2.93301
   D245      -0.01233   0.00002  -0.00274   0.00142  -0.00132  -0.01365
   D246      -3.11940   0.00001  -0.00820   0.00633  -0.00187  -3.12126
   D247      -0.19904   0.00001  -0.00581   0.00295  -0.00286  -0.20190
   D248       2.78175  -0.00002  -0.00960   0.00743  -0.00216   2.77960
   D249      -0.58108  -0.00003  -0.00721   0.00405  -0.00315  -0.58423
   D250       2.54465   0.00001  -0.00751   0.00579  -0.00172   2.54293
   D251      -0.81818   0.00001  -0.00513   0.00241  -0.00271  -0.82089
   D252      -2.88806   0.00001  -0.01099   0.00761  -0.00336  -2.89142
   D253       0.03229   0.00001  -0.00861   0.00423  -0.00435   0.02794
   D254      -3.06213   0.00002  -0.00924   0.00522  -0.00399  -3.06613
   D255      -0.14178   0.00002  -0.00685   0.00184  -0.00498  -0.14677
   D256      -0.65014   0.00000  -0.01132   0.00741  -0.00390  -0.65405
   D257       2.27021   0.00000  -0.00893   0.00403  -0.00490   2.26531
   D258      -0.89475   0.00000  -0.01597   0.00920  -0.00676  -0.90152
   D259       2.02560  -0.00001  -0.01358   0.00583  -0.00776   2.01784
   D260      -0.72806  -0.00001  -0.02155   0.01142  -0.01012  -0.73818
   D261       2.19230  -0.00002  -0.01916   0.00804  -0.01112   2.18118
   D262      -0.92955  -0.00001  -0.02530   0.01254  -0.01277  -0.94232
   D263       1.99080  -0.00002  -0.02291   0.00916  -0.01376   1.97704
   D264      -1.30263  -0.00001  -0.01640   0.00936  -0.00703  -1.30966
   D265       1.61773  -0.00001  -0.01401   0.00598  -0.00802   1.60970
   D266      -1.54035  -0.00002  -0.01827   0.01010  -0.00821  -1.54856
   D267       1.38000  -0.00002  -0.01589   0.00672  -0.00920   1.37080
   D268       1.98386  -0.00004  -0.01162   0.00708  -0.00454   1.97932
   D269      -1.37897  -0.00004  -0.00923   0.00370  -0.00554  -1.38451
   D270       0.86104   0.00001  -0.01007   0.00694  -0.00315   0.85788
   D271      -2.50180   0.00001  -0.00769   0.00356  -0.00415  -2.50595
   D272       0.97595  -0.00003   0.06235  -0.01698   0.04544   1.02139
   D273      -2.38688  -0.00003   0.06473  -0.02036   0.04445  -2.34244
   D274       1.13742  -0.00004   0.01512   0.00197   0.01706   1.15448
   D275      -2.22541  -0.00004   0.01751  -0.00141   0.01607  -2.20934
   D276       1.59535  -0.00001  -0.00070   0.00579   0.00515   1.60050
   D277      -1.76748  -0.00002   0.00169   0.00241   0.00415  -1.76333
   D278       1.57569   0.00003  -0.00103   0.00805   0.00700   1.58269
   D279      -1.78715   0.00003   0.00136   0.00467   0.00601  -1.78114
   D280       0.82121   0.00001  -0.00634   0.01011   0.00374   0.82494
   D281      -2.54163   0.00000  -0.00395   0.00673   0.00274  -2.53888
   D282       0.79855   0.00000  -0.00755   0.01005   0.00250   0.80104
   D283      -2.56429   0.00000  -0.00516   0.00667   0.00150  -2.56278
   D284       1.57247   0.00004   0.00764  -0.00288   0.00477   1.57724
   D285      -2.64550   0.00004   0.01095  -0.00475   0.00620  -2.63930
   D286       1.63837   0.00001   0.00536  -0.00212   0.00325   1.64162
   D287      -2.57960   0.00001   0.00867  -0.00399   0.00468  -2.57492
   D288       1.33135  -0.00001   0.00268  -0.00040   0.00229   1.33364
   D289      -2.88663  -0.00001   0.00598  -0.00227   0.00373  -2.88290
   D290       1.24043   0.00001   0.00782  -0.00457   0.00325   1.24367
   D291      -2.97755   0.00001   0.01112  -0.00644   0.00468  -2.97287
   D292       2.03660   0.00000   0.00449  -0.00158   0.00292   2.03952
   D293      -2.18137   0.00000   0.00779  -0.00345   0.00435  -2.17702
   D294       2.01785   0.00001   0.00569  -0.00346   0.00223   2.02008
   D295      -2.20013   0.00001   0.00900  -0.00533   0.00367  -2.19646
   D296      -2.30389   0.00001   0.00541  -0.00172   0.00369  -2.30020
   D297      -0.23868   0.00001   0.00871  -0.00359   0.00512  -0.23356
   D298      -2.27524   0.00000  -0.00020   0.00054   0.00034  -2.27490
   D299      -0.21003   0.00000   0.00310  -0.00134   0.00178  -0.20826
   D300      -1.88568  -0.00001  -0.00231   0.00141  -0.00089  -1.88657
   D301       0.17953  -0.00001   0.00099  -0.00046   0.00054   0.18007
   D302      -1.82154   0.00000  -0.00607   0.00274  -0.00331  -1.82485
   D303       0.24367   0.00000  -0.00277   0.00087  -0.00187   0.24180
   D304      -2.61885  -0.00001  -0.00362   0.00179  -0.00184  -2.62069
   D305      -0.55365  -0.00001  -0.00032  -0.00008  -0.00040  -0.55405
   D306      -2.74108  -0.00003  -0.00761   0.00344  -0.00422  -2.74530
   D307      -0.67587  -0.00003  -0.00430   0.00157  -0.00278  -0.67865
   D308       1.51838   0.00002   0.00770  -0.00334   0.00436   1.52274
   D309      -2.69960   0.00002   0.01100  -0.00521   0.00580  -2.69380
   D310       2.61940   0.00000   0.00709  -0.00302   0.00405   2.62345
   D311      -1.59858   0.00000   0.01039  -0.00489   0.00549  -1.59309
   D312       2.99927   0.00000   0.01173  -0.00481   0.00688   3.00616
   D313      -1.21870   0.00000   0.01503  -0.00668   0.00832  -1.21038
   D314      -0.46301  -0.00002   0.04385  -0.01531   0.02857  -0.43444
   D315       1.60220  -0.00001   0.04715  -0.01719   0.03001   1.63220
   D316      -0.30884  -0.00003   0.02633  -0.00678   0.01954  -0.28930
   D317       1.75636  -0.00003   0.02964  -0.00865   0.02098   1.77734
   D318       0.11764  -0.00001   0.02259  -0.00670   0.01595   0.13358
   D319       2.18284  -0.00001   0.02590  -0.00857   0.01738   2.20023
   D320       0.24706   0.00000   0.02375  -0.00526   0.01847   0.26553
   D321       2.31227   0.00000   0.02706  -0.00713   0.01991   2.33217
   D322      -0.56134   0.00000   0.01105  -0.00002   0.01100  -0.55034
   D323       1.50387   0.00000   0.01436  -0.00189   0.01243   1.51630
   D324      -0.59839  -0.00001   0.01061   0.00063   0.01123  -0.58717
   D325       1.46681  -0.00001   0.01391  -0.00124   0.01266   1.47948
   D326       0.07883  -0.00005  -0.04570   0.02405  -0.02152   0.05731
   D327       2.25950  -0.00002  -0.03605   0.01543  -0.02050   2.23900
   D328       0.38384  -0.00003  -0.03973   0.02123  -0.01840   0.36544
   D329       2.56452   0.00000  -0.03008   0.01261  -0.01738   2.54714
   D330       0.74853   0.00000  -0.04330   0.02229  -0.02099   0.72754
   D331       2.92920   0.00003  -0.03365   0.01367  -0.01997   2.90924
   D332       1.02723  -0.00003  -0.04387   0.02202  -0.02187   1.00536
   D333      -3.07527   0.00000  -0.03422   0.01340  -0.02085  -3.09613
   D334       0.32101  -0.00002  -0.02709   0.01606  -0.01080   0.31021
   D335       2.50168   0.00001  -0.01744   0.00744  -0.00978   2.49191
   D336       0.71293  -0.00001  -0.03973   0.02153  -0.01823   0.69470
   D337       2.89361   0.00002  -0.03008   0.01291  -0.01721   2.87639
   D338      -2.33851  -0.00004  -0.03952   0.02227  -0.01721  -2.35572
   D339      -0.15784  -0.00001  -0.02987   0.01364  -0.01619  -0.17402
   D340      -1.96156  -0.00003  -0.03402   0.02019  -0.01391  -1.97547
   D341       0.21911   0.00000  -0.02438   0.01157  -0.01289   0.20622
   D342      -1.91808   0.00000  -0.03400   0.01925  -0.01484  -1.93291
   D343       0.26260   0.00003  -0.02435   0.01063  -0.01382   0.24878
   D344      -1.62104   0.00000  -0.03839   0.02079  -0.01778  -1.63882
   D345       0.55964   0.00003  -0.02874   0.01217  -0.01676   0.54288
   D346      -1.58946  -0.00004  -0.02735   0.01825  -0.00931  -1.59877
   D347       0.59122  -0.00001  -0.01770   0.00963  -0.00829   0.58293
   D348      -1.28973  -0.00002  -0.02437   0.01684  -0.00774  -1.29747
   D349       0.89095   0.00000  -0.01472   0.00822  -0.00672   0.88423
   D350       1.83868   0.00003  -0.05598   0.02661  -0.02954   1.80914
   D351      -2.26383   0.00006  -0.04633   0.01799  -0.02852  -2.29235
   D352       2.27197   0.00000  -0.06760   0.03044  -0.03728   2.23469
   D353      -1.83054   0.00003  -0.05795   0.02182  -0.03626  -1.86680
   D354       2.51666   0.00000  -0.10331   0.04235  -0.06102   2.45564
   D355      -1.58585   0.00002  -0.09367   0.03373  -0.06000  -1.64585
   D356      -3.13384  -0.00009  -0.09269   0.04023  -0.05190   3.09745
   D357      -0.95316  -0.00006  -0.08305   0.03160  -0.05088  -1.00403
   D358       2.59653  -0.00003  -0.05279   0.02572  -0.02705   2.56948
   D359      -1.50598   0.00000  -0.04314   0.01709  -0.02603  -1.53201
   D360       1.61929  -0.00006  -0.01169   0.01057  -0.00105   1.61824
   D361      -2.48322  -0.00003  -0.00205   0.00194  -0.00003  -2.48325
   D362       1.79856  -0.00010  -0.02602   0.01224  -0.01362   1.78494
   D363      -2.30395  -0.00008  -0.01637   0.00361  -0.01260  -2.31655
   D364       2.74157  -0.00004  -0.00350   0.00270  -0.00078   2.74079
   D365      -1.36093  -0.00002   0.00615  -0.00592   0.00023  -1.36070
   D366       2.72937  -0.00004  -0.01964   0.00989  -0.00973   2.71964
   D367      -1.37314  -0.00001  -0.01000   0.00126  -0.00871  -1.38185
   D368       0.05186  -0.00003  -0.01848   0.01181  -0.00668   0.04518
   D369      -2.48346   0.00000  -0.15312   0.05952  -0.09365  -2.57711
   D370       0.45135  -0.00003  -0.01779   0.01091  -0.00685   0.44451
   D371      -2.08396   0.00000  -0.15243   0.05862  -0.09382  -2.17778
   D372       0.66492  -0.00001  -0.02466   0.01348  -0.01112   0.65379
   D373      -1.87040   0.00002  -0.15930   0.06118  -0.09809  -1.96849
   D374       0.93423  -0.00004  -0.02168   0.01087  -0.01078   0.92345
   D375      -1.60109  -0.00001  -0.15633   0.05858  -0.09774  -1.69883
   D376       0.69192  -0.00004  -0.01032   0.00814  -0.00212   0.68979
   D377      -1.84340  -0.00001  -0.14497   0.05585  -0.08909  -1.93249
   D378       1.03275  -0.00004  -0.01348   0.00923  -0.00422   1.02853
   D379      -1.50257  -0.00001  -0.14812   0.05693  -0.09119  -1.59375
   D380      -2.76289  -0.00001  -0.03018   0.01591  -0.01426  -2.77715
   D381       0.98498   0.00002  -0.16483   0.06361  -0.10123   0.88375
   D382      -2.20761  -0.00002  -0.02569   0.01540  -0.01010  -2.21772
   D383       1.54026   0.00001  -0.16033   0.06311  -0.09707   1.44318
   D384      -1.97456  -0.00002  -0.00943   0.00866  -0.00071  -1.97527
   D385       1.77331   0.00001  -0.14408   0.05636  -0.08767   1.68563
   D386      -1.64502  -0.00002  -0.00425   0.00678   0.00256  -1.64246
   D387       2.10285   0.00001  -0.13889   0.05449  -0.08441   2.01844
   D388      -1.68824  -0.00004  -0.01621   0.01431  -0.00163  -1.68987
   D389       2.05963  -0.00001  -0.15085   0.06202  -0.08860   1.97103
   D390      -1.11899  -0.00001   0.01752   0.00114   0.01830  -1.10068
   D391       2.62888   0.00002  -0.11712   0.04884  -0.06867   2.56022
   D392       1.78602   0.00000  -0.01066   0.00856  -0.00206   1.78396
   D393      -0.74930   0.00003  -0.14531   0.05627  -0.08903  -0.83833
   D394       2.08683  -0.00002  -0.01242   0.00864  -0.00377   2.08306
   D395      -0.44849   0.00001  -0.14706   0.05635  -0.09073  -0.53922
   D396       2.03379  -0.00003  -0.01654   0.00911  -0.00745   2.02634
   D397      -0.50153   0.00001  -0.15118   0.05682  -0.09442  -0.59595
   D398       2.22995  -0.00002  -0.01605   0.00804  -0.00809   2.22186
   D399      -0.30537   0.00001  -0.15069   0.05574  -0.09506  -0.40043
   D400       2.48698  -0.00004  -0.01026   0.00812  -0.00215   2.48484
   D401      -0.04833  -0.00001  -0.14491   0.05583  -0.08912  -0.13745
   D402      -1.54671  -0.00008   0.02535  -0.00432   0.02108  -1.52563
   D403       2.20116  -0.00005  -0.10929   0.04339  -0.06589   2.13527
   D404      -2.64452  -0.00002   0.02383  -0.00582   0.01803  -2.62648
   D405       1.10335   0.00001  -0.11081   0.04188  -0.06893   1.03442
   D406      -3.00069  -0.00003   0.01302  -0.00187   0.01115  -2.98954
   D407       0.74718   0.00000  -0.12162   0.04584  -0.07582   0.67136
   D408       1.92464  -0.00001  -0.03857   0.01840  -0.02024   1.90440
   D409       2.41965   0.00000  -0.04233   0.01809  -0.02425   2.39540
   D410       2.64960   0.00002  -0.03890   0.01599  -0.02295   2.62665
   D411       2.87886   0.00000  -0.03264   0.01132  -0.02131   2.85756
   D412       2.84686  -0.00002  -0.05539   0.02139  -0.03390   2.81296
   D413      -2.94220  -0.00002  -0.04832   0.01557  -0.03254  -2.97474
   D414      -0.74846   0.00002  -0.02704   0.01188  -0.01522  -0.76367
   D415      -0.36699   0.00002  -0.02753   0.01240  -0.01520  -0.38218
   D416      -0.05847   0.00002  -0.02718   0.01180  -0.01541  -0.07387
   D417       0.25052   0.00002  -0.02713   0.01177  -0.01540   0.23512
   D418      -0.23017   0.00001  -0.02749   0.01306  -0.01454  -0.24472
   D419       0.08123   0.00002  -0.02423   0.01309  -0.01125   0.06999
   D420      -2.55812   0.00004  -0.02744   0.01106  -0.01636  -2.57448
   D421      -2.17473   0.00000  -0.02769   0.01103  -0.01667  -2.19140
   D422      -1.93175   0.00000  -0.02886   0.01000  -0.01888  -1.95063
   D423      -1.61934  -0.00001  -0.02539   0.00868  -0.01679  -1.63612
   D424      -1.95917   0.00000  -0.02624   0.01216  -0.01411  -1.97328
   D425       1.32596  -0.00001   0.02151  -0.01039   0.01118   1.33714
   D426       2.47935   0.00002   0.01133  -0.00381   0.00758   2.48693
   D427       2.95517  -0.00007   0.00122  -0.00182  -0.00045   2.95472
   D428      -3.06943  -0.00015   0.00073  -0.00543  -0.00471  -3.07414
   D429       0.03447  -0.00014  -0.00427   0.00034  -0.00393   0.03054
   D430       0.04032   0.00011   0.00504  -0.00672  -0.00168   0.03864
   D431      -3.13895   0.00012   0.00004  -0.00095  -0.00091  -3.13986
   D432      -0.09535   0.00000   0.01467  -0.01028   0.00439  -0.09096
   D433       2.00406   0.00004   0.01463  -0.00961   0.00503   2.00909
   D434      -2.19081   0.00004   0.01215  -0.00831   0.00384  -2.18697
   D435       3.08196  -0.00001   0.01945  -0.01577   0.00367   3.08563
   D436      -1.10181   0.00003   0.01941  -0.01509   0.00431  -1.09750
   D437       0.98650   0.00003   0.01693  -0.01379   0.00312   0.98962
   D438      -2.37559   0.00002   0.01357  -0.01287   0.00067  -2.37492
   D439      -0.28471   0.00000   0.01328  -0.01305   0.00023  -0.28448
   D440       1.82214   0.00000   0.01354  -0.01296   0.00056   1.82270
   D441       0.73022   0.00003   0.00881  -0.00738   0.00142   0.73164
   D442       2.82109   0.00001   0.00852  -0.00756   0.00098   2.82207
   D443      -1.35524   0.00001   0.00878  -0.00747   0.00131  -1.35393
   D444       0.00005   0.00004  -0.00150   0.00192   0.00042   0.00047
   D445       3.11039   0.00006   0.00557  -0.00317   0.00240   3.11279
   D446      -3.11994   0.00000  -0.00214   0.00271   0.00057  -3.11937
   D447      -0.00960   0.00002   0.00493  -0.00238   0.00255  -0.00705
   D448       2.42237   0.00000   0.00554  -0.00248   0.00308   2.42544
   D449      -1.77686   0.00001   0.00614  -0.00264   0.00351  -1.77335
   D450       0.33148  -0.00001   0.00570  -0.00240   0.00330   0.33479
   D451      -0.68948  -0.00002  -0.00119   0.00237   0.00119  -0.68829
   D452       1.39448  -0.00001  -0.00059   0.00221   0.00162   1.39610
   D453      -2.78036  -0.00003  -0.00103   0.00245   0.00141  -2.77895
   D454       2.06392  -0.00002  -0.00586   0.00360  -0.00227   2.06164
   D455      -2.13480  -0.00001  -0.00595   0.00386  -0.00208  -2.13688
   D456      -0.04117  -0.00002  -0.00637   0.00394  -0.00243  -0.04360
   D457      -1.10739   0.00000   0.00086  -0.00125  -0.00039  -1.10778
   D458       0.97708   0.00001   0.00078  -0.00099  -0.00020   0.97688
   D459       3.07070   0.00000   0.00035  -0.00091  -0.00055   3.07015
   D460      -3.09796   0.00005   0.01072  -0.00221   0.00853  -3.08943
   D461      -0.03597   0.00006   0.00912  -0.00246   0.00666  -0.02931
   D462       0.05888  -0.00001   0.00721  -0.00019   0.00703   0.06591
   D463       3.12086   0.00000   0.00561  -0.00044   0.00516   3.12603
   D464       1.95880  -0.00004  -0.02349   0.00820  -0.01530   1.94351
   D465      -2.24255  -0.00003  -0.02224   0.00801  -0.01423  -2.25678
   D466      -0.14887  -0.00002  -0.02380   0.00883  -0.01498  -0.16385
   D467      -1.10650  -0.00006  -0.02181   0.00839  -0.01342  -1.11992
   D468       0.97533  -0.00004  -0.02056   0.00819  -0.01236   0.96298
   D469       3.06901  -0.00004  -0.02212   0.00901  -0.01311   3.05591
   D470      -1.66411   0.00002   0.02096  -0.00728   0.01368  -1.65043
   D471       0.44000   0.00003   0.02133  -0.00747   0.01386   0.45386
   D472       2.53391   0.00003   0.01891  -0.00671   0.01220   2.54611
   D473       1.40148   0.00003   0.01934  -0.00749   0.01184   1.41332
   D474      -2.77759   0.00004   0.01971  -0.00768   0.01201  -2.76558
   D475      -0.68368   0.00004   0.01729  -0.00692   0.01035  -0.67332
   D476      -0.00753   0.00025   0.01320  -0.00871   0.00443  -0.00310
   D477      -3.09107   0.00023  -0.02000   0.01781  -0.00223  -3.09330
   D478       3.10916   0.00005   0.01348  -0.00868   0.00476   3.11392
   D479       0.02562   0.00002  -0.01972   0.01784  -0.00190   0.02372
   D480      -0.37755   0.00017   0.01581   0.02385   0.03953  -0.33802
   D481       1.72890   0.00011   0.01796   0.02281   0.04081   1.76971
   D482      -2.46567   0.00003   0.01578   0.02193   0.03775  -2.42792
   D483       2.70875   0.00020   0.04736  -0.00131   0.04588   2.75463
   D484      -1.46798   0.00014   0.04951  -0.00236   0.04715  -1.42083
   D485       0.62063   0.00006   0.04733  -0.00323   0.04410   0.66473
   D486      -0.03395  -0.00002   0.06660  -0.04619   0.02040  -0.01355
   D487       2.06055  -0.00003   0.06335  -0.04316   0.02021   2.08076
   D488      -2.13725  -0.00002   0.06383  -0.04399   0.01983  -2.11742
   D489      -3.12026  -0.00005   0.03505  -0.02110   0.01399  -3.10627
   D490      -1.02576  -0.00006   0.03181  -0.01806   0.01380  -1.01196
   D491       1.05962  -0.00005   0.03228  -0.01890   0.01343   1.07304
         Item               Value     Threshold  Converged?
 Maximum Force            0.000431     0.000450     YES
 RMS     Force            0.000048     0.000300     YES
 Maximum Displacement     0.140118     0.001800     NO 
 RMS     Displacement     0.014415     0.001200     NO 
 Predicted change in Energy=-3.504417D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 02:58:53 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.834233   -0.608018    1.681775
      2          6           0       -2.097610    1.105850   -1.347843
      3          8           0       -2.649126    0.122756   -1.872936
      4          7           0       -0.803572    1.155557   -0.930109
      5          1           0       -2.645134    2.047894   -1.144450
      6          6           0       -0.260006    2.329587   -0.245701
      7          1           0       -1.012969    3.129767   -0.229540
      8          1           0        0.016529    2.063947    0.787781
      9          1           0        0.638914    2.684302   -0.775778
     10          6           0        0.107732    0.020934   -1.100007
     11          1           0        0.682942   -0.121332   -0.171646
     12          1           0       -0.473561   -0.885639   -1.313366
     13          1           0        0.811131    0.212247   -1.927157
     14          6           0       -1.985625   -4.024374    2.608731
     15          8           0       -2.107565   -3.877194    3.836927
     16          7           0       -2.930103   -3.717876    1.678171
     17          1           0       -1.053197   -4.412573    2.152860
     18          6           0       -4.232084   -3.162219    2.055754
     19          1           0       -4.502910   -2.370398    1.339306
     20          1           0       -5.010490   -3.943010    2.031057
     21          1           0       -4.169153   -2.738776    3.066531
     22          6           0       -2.683087   -3.892935    0.246567
     23          1           0       -3.390505   -4.624895   -0.176521
     24          1           0       -2.821647   -2.930487   -0.273148
     25          1           0       -1.653905   -4.244908    0.089903
     26          6           0        1.535028    0.380979    2.625287
     27          8           0        1.350960    1.395205    3.319390
     28          7           0        1.169899   -0.885400    2.964969
     29          1           0        2.017925    0.429564    1.629418
     30          6           0        1.485870   -2.030157    2.110420
     31          1           0        2.235544   -2.676863    2.596540
     32          1           0        0.576035   -2.626312    1.934228
     33          1           0        1.876388   -1.673582    1.147476
     34          6           0        0.531593   -1.172714    4.252103
     35          1           0        1.282312   -1.481563    4.999514
     36          1           0        0.011787   -0.273794    4.607054
     37          1           0       -0.191142   -1.990734    4.118361
     38          6           0       -4.602927    1.196526    2.897611
     39          8           0       -4.860531    1.829244    1.859784
     40          7           0       -3.511516    1.383220    3.689201
     41          1           0       -5.256042    0.378843    3.264700
     42          6           0       -2.493326    2.389427    3.374280
     43          1           0       -2.568406    2.664267    2.313966
     44          1           0       -2.626325    3.289396    3.997517
     45          1           0       -1.497817    1.965180    3.575703
     46          6           0       -3.263599    0.545944    4.863146
     47          1           0       -4.073954   -0.187764    4.972672
     48          1           0       -2.305233    0.013237    4.745137
     49          1           0       -3.208517    1.169775    5.770260
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490744   0.000000
     3  O    3.719415   1.243530   0.000000
     4  N    3.315780   1.360702   2.315529   0.000000
     5  H    3.962193   1.108421   2.058364   2.057561   0.000000
     6  C    3.850049   2.467598   3.636742   1.463634   2.564359
     7  H    4.277691   2.554073   3.797351   2.105267   2.161359
     8  H    3.371044   3.154112   4.237139   2.109237   3.289107
     9  H    4.795351   3.210504   4.310044   2.107520   3.365398
    10  C    3.450379   2.470222   2.864970   1.465165   3.418890
    11  H    3.163574   3.258971   3.749219   2.101294   4.089986
    12  H    3.301420   2.569972   2.462329   2.102921   3.653749
    13  H    4.549195   3.097565   3.461839   2.119246   3.990990
    14  C    3.543114   6.479677   6.142008   6.383755   7.168943
    15  O    3.925163   7.191151   6.992526   7.053624   7.759494
    16  N    3.297296   5.754835   5.238298   5.922467   6.425923
    17  H    3.912362   6.618059   6.270824   6.369543   7.425910
    18  C    3.523279   5.861473   5.360170   6.270030   6.317040
    19  H    3.216380   5.009045   4.468874   5.591754   5.398303
    20  H    4.618742   6.737419   6.111273   7.243069   7.181203
    21  H    3.451019   6.209600   5.907384   6.516602   6.554937
    22  C    3.683892   5.279468   4.540840   5.514021   6.101624
    23  H    4.691540   5.990410   5.095847   6.377598   6.783699
    24  H    3.192268   4.239246   3.451286   4.604344   5.057133
    25  H    3.974109   5.558291   4.890776   5.561342   6.488876
    26  C    3.635966   5.432059   6.148808   4.325490   5.870544
    27  O    4.103674   5.810286   6.676830   4.770501   6.026660
    28  N    3.278465   5.765590   6.245530   4.819930   6.328191
    29  H    3.989792   5.124361   5.843114   3.878026   5.661930
    30  C    3.637210   5.885189   6.131912   4.963379   6.655063
    31  H    4.656178   6.974475   7.188469   6.030002   7.754956
    32  H    3.153829   5.643527   5.696800   4.940676   6.457738
    33  H    3.897385   5.453853   5.729746   4.416171   6.288598
    34  C    3.538729   6.592720   7.022202   5.835995   7.041782
    35  H    4.635011   7.642481   8.078404   6.816579   8.101246
    36  H    3.475163   6.466357   7.016266   5.776507   6.747537
    37  H    3.247861   6.565275   6.812060   5.980072   7.073172
    38  C    3.521407   4.930387   5.265781   5.393350   4.571218
    39  O    3.889783   4.294869   4.662147   4.969535   3.739146
    40  N    3.287563   5.239072   5.768003   5.359367   4.955460
    41  H    3.897220   5.637355   5.766879   6.166376   5.389171
    42  C    3.504804   4.909440   5.717984   4.785966   4.534160
    43  H    3.412701   4.007388   4.898566   3.989345   3.513751
    44  H    4.602163   5.798300   6.670109   5.670732   5.289755
    45  H    3.212708   5.033836   5.865809   4.630314   4.858294
    46  C    3.673668   6.344242   6.777275   6.323382   6.223307
    47  H    4.002870   6.747464   6.999207   6.880606   6.667748
    48  H    3.161011   6.193651   6.627907   5.980661   6.240400
    49  H    4.665288   7.204553   7.734831   7.118912   6.992975
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098864   0.000000
     8  H    1.102325   1.797437   0.000000
     9  H    1.102208   1.795977   1.793578   0.000000
    10  C    2.488965   3.417386   2.783156   2.735106   0.000000
    11  H    2.627098   3.667304   2.477913   2.870279   1.101345
    12  H    3.394584   4.193940   3.654458   3.777709   1.097861
    13  H    2.908223   3.836818   3.380987   2.732470   1.102519
    14  C    7.176236   7.757807   6.662742   7.959236   5.873789
    15  O    7.655420   8.175072   7.007583   8.477820   6.669052
    16  N    6.884948   7.362403   6.550184   7.729659   5.561062
    17  H    7.199928   7.909763   6.704704   7.861666   5.620043
    18  C    7.157796   7.427945   6.853560   8.119484   6.239014
    19  H    6.527200   6.700208   6.355542   7.514115   5.738182
    20  H    8.191227   8.432950   7.930964   9.149609   7.191148
    21  H    7.206984   7.434069   6.766002   8.203086   6.577825
    22  C    6.695778   7.234247   6.562415   7.439149   4.992025
    23  H    7.626902   8.111121   7.568248   8.367777   5.888482
    24  H    5.850738   6.324547   5.841676   6.614679   4.239793
    25  H    6.729010   7.409365   6.563462   7.349856   4.766200
    26  C    3.906635   4.711494   2.917988   4.204232   4.005574
    27  O    4.022208   4.603452   2.938872   4.351917   4.792212
    28  N    4.763315   5.575963   3.843053   5.197875   4.298100
    29  H    3.509292   4.464655   2.717563   3.573582   3.356423
    30  C    5.254214   6.192288   4.546430   5.592281   4.051306
    31  H    6.274603   7.228867   5.538133   6.531757   5.046796
    32  H    5.478321   6.351321   4.860650   5.962442   4.053863
    33  H    4.746629   5.772064   4.190176   4.921524   3.324260
    34  C    5.755257   6.401730   4.768941   6.337798   5.499958
    35  H    6.664525   7.340007   5.649031   7.149993   6.390719
    36  H    5.513683   6.002250   4.477935   6.174019   5.715472
    37  H    6.141250   6.767509   5.251317   6.818911   5.600669
    38  C    5.479526   5.138511   5.152007   6.571466   6.289139
    39  O    5.084117   4.567316   4.998999   6.158020   6.059207
    40  N    5.191472   4.964846   4.618304   6.233372   6.155590
    41  H    6.410046   6.146623   6.064216   7.509402   6.924510
    42  C    4.253888   3.965738   3.618741   5.207770   5.691617
    43  H    3.463036   3.017532   3.061293   4.453518   5.079777
    44  H    4.952333   4.527297   4.334607   5.814833   6.643994
    45  H    4.033373   4.008893   3.174195   4.900831   5.312264
    46  C    6.188963   6.138154   5.447217   7.183289   6.870276
    47  H    6.936474   6.887572   6.270213   7.968975   7.376142
    48  H    5.870000   6.010834   5.025601   6.803168   6.323620
    49  H    6.799314   6.682784   6.002130   7.742553   7.714785
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795881   0.000000
    13  H    1.791516   1.797923   0.000000
    14  C    5.485023   5.246030   6.807722   0.000000
    15  O    6.161338   6.176155   7.646370   1.242979   0.000000
    16  N    5.423195   4.796400   6.514682   1.360853   2.315637
    17  H    5.179985   4.978952   6.442920   1.108124   2.057767
    18  C    6.194013   5.537173   7.258417   2.468942   2.863101
    19  H    5.851011   5.047458   6.751212   3.268608   3.774416
    20  H    7.202242   6.412208   8.174649   3.080606   3.419425
    21  H    6.393718   6.022875   7.645174   2.574906   2.477832
    22  C    5.072479   4.044654   5.812672   2.466485   3.636228
    23  H    6.072485   4.876784   6.642019   3.176782   4.279341
    24  H    4.492638   3.282829   5.080314   3.193861   4.277719
    25  H    4.746909   3.827148   5.478245   2.550131   3.792257
    26  C    2.966682   4.599102   4.612727   5.639362   5.733113
    27  O    3.864384   5.476637   5.405281   6.403879   6.326724
    28  N    3.264855   4.583133   5.026573   4.465131   4.522490
    29  H    2.308570   4.073971   3.762022   6.068363   6.359318
    30  C    3.081579   4.107505   4.667513   4.034413   4.393762
    31  H    4.074820   5.082824   5.553354   4.431049   4.673537
    32  H    3.274303   3.831248   4.798227   2.995268   3.519471
    33  H    2.360905   3.492686   3.760916   4.751487   5.287810
    34  C    4.549490   5.662790   6.338732   4.143552   3.801544
    35  H    5.380555   6.579565   7.146313   4.781333   4.310675
    36  H    4.828009   5.971708   6.600842   4.695722   4.250793
    37  H    4.760551   5.550194   6.511986   3.104004   2.703815
    38  C    6.252800   6.254552   7.318417   5.847352   5.731647
    39  O    6.217842   6.056813   7.008806   6.564362   6.637119
    40  N    5.896041   6.277147   7.183310   5.721699   5.446545
    41  H    6.879693   6.740158   7.987097   5.523970   5.324866
    42  C    5.382024   6.064614   6.615496   6.479249   6.295505
    43  H    4.950667   5.490697   5.951538   6.720450   6.732199
    44  H    6.321886   7.090190   7.509109   7.471978   7.187135
    45  H    4.811639   5.751459   6.219766   6.086686   5.879912
    46  C    6.431918   6.926980   7.926096   5.253895   4.685476
    47  H    7.006888   7.277646   8.463551   4.966780   4.332262
    48  H    5.755176   6.392845   7.366875   4.579157   3.999921
    49  H    7.219187   7.866541   8.736399   6.202412   5.515593
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056869   0.000000
    18  C    1.465087   3.417329   0.000000
    19  H    2.098630   4.090583   1.101646   0.000000
    20  H    2.122080   3.986915   1.102796   1.791442   0.000000
    21  H    2.102719   3.653160   1.097696   1.797332   1.797286
    22  C    1.463268   2.561351   2.491284   2.612270   2.933209
    23  H    2.115311   3.306676   2.798344   2.935632   2.821829
    24  H    2.106987   3.348061   2.732548   2.395904   3.335506
    25  H    2.104528   2.155169   3.418156   3.632028   3.889200
    26  C    6.134740   5.468111   6.792511   6.758736   7.867261
    27  O    6.867655   6.393047   7.316917   7.236593   8.403832
    28  N    5.146725   4.247661   5.932285   6.085126   6.958331
    29  H    6.456517   5.757783   7.221169   7.102481   8.287299
    30  C    4.747214   3.482034   5.829198   6.047798   6.772591
    31  H    5.348926   3.745044   6.508320   6.861582   7.377527
    32  H    3.681042   2.427534   4.839419   5.120068   5.740411
    33  H    5.250059   4.134650   6.352514   6.420108   7.304800
    34  C    5.008624   4.173136   5.610232   5.938439   6.581966
    35  H    5.811785   4.706258   6.472936   6.903328   7.380367
    36  H    5.393957   4.928160   5.732589   5.954529   6.732175
    37  H    4.054559   3.235991   4.685717   5.143795   5.603064
    38  C    5.332609   6.679613   4.454763   3.893747   5.227988
    39  O    5.876230   7.317238   5.034685   4.246855   5.776741
    40  N    5.513933   6.480347   4.883481   4.538118   5.776253
    41  H    4.970932   6.469757   3.879325   3.439865   4.501176
    42  C    6.353480   7.059252   5.965112   5.552970   6.945511
    43  H    6.423925   7.239025   6.064854   5.480887   7.049818
    44  H    7.387388   8.074516   6.926200   6.528470   7.865043
    45  H    6.160292   6.549649   6.006387   5.729685   7.044964
    46  C    5.332489   6.067818   4.750778   4.739028   5.587760
    47  H    4.962239   5.909765   4.169028   4.260192   4.861283
    48  H    4.870107   5.279705   4.585746   4.702253   5.507862
    49  H    6.380582   6.992396   5.797536   5.817355   6.585539
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390085   0.000000
    23  H    3.831596   1.102365   0.000000
    24  H    3.606381   1.102547   1.789960   0.000000
    25  H    4.177945   1.098929   1.797540   1.795308   0.000000
    26  C    6.516537   6.458882   7.561070   6.192524   6.164114
    27  O    6.901115   7.326678   8.422855   7.002042   7.160285
    28  N    5.652504   5.592896   6.682071   5.531747   5.246539
    29  H    7.098141   6.534202   7.619717   6.191216   6.140288
    30  C    5.778890   4.931946   5.978444   5.004667   4.341175
    31  H    6.422217   5.585171   6.567886   5.820190   4.885674
    32  H    4.879710   3.882578   4.917625   4.063160   3.315723
    33  H    6.431639   5.150338   6.180888   5.066509   4.493679
    34  C    5.094620   5.811893   6.849316   5.900160   5.615932
    35  H    5.919078   6.643012   7.648993   6.836873   6.353088
    36  H    5.092112   6.274901   7.306865   6.237206   6.240909
    37  H    4.182163   4.981862   5.968311   5.204617   4.842463
    38  C    3.962738   6.051152   6.693968   5.500810   6.796261
    39  O    4.775044   6.331435   6.925564   5.600133   7.092972
    40  N    4.220315   6.354199   7.145342   5.897813   6.934082
    41  H    3.307589   5.829006   6.352922   5.421652   6.665868
    42  C    5.403847   7.020447   7.912890   6.458561   7.450246
    43  H    5.685211   6.876351   7.746630   6.169163   7.315701
    44  H    6.291733   8.103008   8.980121   7.547428   8.542879
    45  H    5.433461   6.841457   7.816045   6.366611   7.123227
    46  C    3.851913   6.430664   7.221629   6.217910   6.951779
    47  H    3.185921   6.164322   6.831502   6.050573   6.794004
    48  H    3.723639   5.969765   6.849293   5.840838   6.342494
    49  H    4.848684   7.511211   8.305151   7.313317   8.000129
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242705   0.000000
    28  N    1.361035   2.315071   0.000000
    29  H    1.107838   2.057501   2.057176   0.000000
    30  C    2.465985   3.634957   1.463066   2.562162   0.000000
    31  H    3.137187   4.229271   2.116761   3.260762   1.102974
    32  H    3.231258   4.323400   2.108525   3.392689   1.101928
    33  H    2.553757   3.796148   2.103245   2.162296   1.098595
    34  C    2.463204   2.852284   1.465162   3.413935   2.496529
    35  H    3.028181   3.332166   2.123069   3.943486   2.947755
    36  H    2.583872   2.497403   2.100412   3.658637   3.389826
    37  H    3.291497   3.805393   2.098692   4.114931   2.616438
    38  C    6.197885   5.972114   6.137139   6.784706   6.935748
    39  O    6.602019   6.395425   6.704984   7.023200   7.431998
    40  N    5.253952   4.876533   5.252313   5.977197   6.254403
    41  H    6.821106   6.684943   6.555979   7.455690   7.251829
    42  C    4.563167   3.971149   4.930643   5.218908   6.079808
    43  H    4.706220   4.240616   5.196043   5.147518   6.206143
    44  H    5.259161   4.457198   5.736409   5.946057   6.983476
    45  H    3.551216   2.916522   3.951647   4.301928   5.197323
    46  C    5.297362   4.939492   5.030678   6.193952   6.063930
    47  H    6.106911   5.888024   5.658229   6.976348   6.519090
    48  H    4.401886   4.160569   4.006631   5.345160   5.048728
    49  H    5.745805   5.181352   5.591415   6.708963   6.758052
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787508   0.000000
    33  H    1.798709   1.793765   0.000000
    34  C    2.811903   2.736324   3.420241   0.000000
    35  H    2.848100   3.347426   3.902307   1.103444   0.000000
    36  H    3.842135   3.605097   4.171909   1.097382   1.796376
    37  H    2.945422   2.400616   3.633376   1.099723   1.790741
    38  C    7.865015   6.508752   7.299453   5.814744   6.798985
    39  O    8.438133   7.029493   7.626483   6.618909   7.652050
    40  N    7.120876   5.988685   6.695813   4.816263   5.736261
    41  H    8.118351   6.694343   7.717943   6.072810   7.015751
    42  C    6.973835   6.054120   6.368760   4.754952   5.646362
    43  H    7.189259   6.166194   6.319322   5.299887   6.263235
    44  H    7.822835   7.036183   7.282054   5.472448   6.248479
    45  H    6.036994   5.298783   5.524684   3.797684   4.651494
    46  C    6.764950   5.777937   6.719521   4.210777   4.979427
    47  H    7.186889   6.066387   7.228163   4.764495   5.510374
    48  H    5.698399   4.813537   5.768403   3.114024   3.894819
    49  H    7.382880   6.591529   7.437141   4.666956   5.271735
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796632   0.000000
    38  C    5.136109   5.577876   0.000000
    39  O    5.975763   6.441785   1.242488   0.000000
    40  N    4.000226   4.753170   1.361120   2.316365   0.000000
    41  H    5.475205   5.656575   1.109017   2.057639   2.057267
    42  C    3.858506   5.003950   2.469947   2.865512   1.465720
    43  H    4.532974   5.529581   2.575691   2.481407   2.102810
    44  H    4.475208   5.815883   3.081696   3.419594   2.124176
    45  H    2.890604   4.201325   3.269915   3.777658   2.099176
    46  C    3.386105   4.053324   2.465843   3.635551   1.463093
    47  H    4.102969   4.365406   2.549892   3.791714   2.105143
    48  H    2.338810   2.979619   3.176937   4.260598   2.108785
    49  H    3.715816   4.671417   3.193306   4.296029   2.113805
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418634   0.000000
    43  H    3.653827   1.097925   0.000000
    44  H    3.990458   1.102750   1.796798   0.000000
    45  H    4.091142   1.100725   1.796348   1.790253   0.000000
    46  C    2.559840   2.491680   3.386577   2.946516   2.605710
    47  H    2.153032   3.419818   4.179650   3.890655   3.636368
    48  H    3.321542   2.749711   3.606635   3.375686   2.414452
    49  H    3.331031   2.782044   3.819583   2.823890   2.894001
                   46         47         48         49
    46  C    0.000000
    47  H    1.098635   0.000000
    48  H    1.102800   1.794588   0.000000
    49  H    1.102295   1.796675   1.790078   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2140774      0.1938051      0.1843327
 Leave Link  202 at Mon Nov 14 02:58:53 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0838749909 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839260273 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8999489635 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4018
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.20D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.20%
 GePol: Cavity surface area                          =    467.366 Ang**2
 GePol: Cavity volume                                =    457.935 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040212410 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8959277226 Hartrees.
 Leave Link  301 at Mon Nov 14 02:58:53 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37492.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 02:58:55 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 02:58:55 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000448   -0.010736    0.002672
         Rot=    1.000000    0.000401   -0.000140    0.000781 Ang=   0.10 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50889186775    
 Leave Link  401 at Mon Nov 14 02:59:02 2016, MaxMem=  2952790016 cpu:        79.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48432972.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.55D-15 for   2268.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.51D-15 for   3187   1412.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.12D-14 for   2284.
 Iteration    1 A^-1*A deviation from orthogonality  is 9.07D-11 for   1421   1417.
 E= -1013.44956079182    
 DIIS: error= 1.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44956079182     IErMin= 1 ErrMin= 1.13D-03
 ErrMax= 1.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-03 BMatP= 1.09D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 GapD=    0.326 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.66D-04 MaxDP=5.77D-03              OVMax= 9.01D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.66D-04    CP:  1.00D+00
 E= -1013.45127491744     Delta-E=       -0.001714125613 Rises=F Damp=F
 DIIS: error= 1.40D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45127491744     IErMin= 2 ErrMin= 1.40D-04
 ErrMax= 1.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-05 BMatP= 1.09D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.40D-03
 Coeff-Com:  0.246D-01 0.975D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.246D-01 0.975D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.81D-05 MaxDP=2.43D-03 DE=-1.71D-03 OVMax= 2.94D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.70D-05    CP:  1.00D+00  9.52D-01
 E= -1013.45120656164     Delta-E=        0.000068355796 Rises=F Damp=F
 DIIS: error= 4.49D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45127491744     IErMin= 2 ErrMin= 1.40D-04
 ErrMax= 4.49D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-04 BMatP= 2.06D-05
 IDIUse=3 WtCom= 3.21D-01 WtEn= 6.79D-01
 Coeff-Com:  0.292D-02 0.703D+00 0.294D+00
 Coeff-En:   0.000D+00 0.784D+00 0.216D+00
 Coeff:      0.935D-03 0.758D+00 0.241D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.30D-05 MaxDP=1.60D-03 DE= 6.84D-05 OVMax= 2.35D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.04D-06    CP:  1.00D+00  9.68D-01  4.37D-01
 E= -1013.45129099072     Delta-E=       -0.000084429084 Rises=F Damp=F
 DIIS: error= 4.08D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45129099072     IErMin= 4 ErrMin= 4.08D-05
 ErrMax= 4.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-06 BMatP= 2.06D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.236D-04 0.300D+00 0.643D-01 0.636D+00
 Coeff:     -0.236D-04 0.300D+00 0.643D-01 0.636D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.42D-06 MaxDP=2.73D-04 DE=-8.44D-05 OVMax= 2.99D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.41D-06    CP:  1.00D+00  9.75D-01  3.54D-01  7.13D-01
 E= -1013.45129215224     Delta-E=       -0.000001161511 Rises=F Damp=F
 DIIS: error= 5.90D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45129215224     IErMin= 4 ErrMin= 4.08D-05
 ErrMax= 5.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.88D-07 BMatP= 1.95D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.427D-04 0.146D+00 0.180D-01 0.439D+00 0.397D+00
 Coeff:     -0.427D-04 0.146D+00 0.180D-01 0.439D+00 0.397D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.80D-06 MaxDP=1.42D-04 DE=-1.16D-06 OVMax= 1.84D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.00D-06    CP:  1.00D+00  9.76D-01  3.47D-01  7.41D-01  5.77D-01
 E= -1013.45129266304     Delta-E=       -0.000000510804 Rises=F Damp=F
 DIIS: error= 3.49D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45129266304     IErMin= 6 ErrMin= 3.49D-06
 ErrMax= 3.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-09 BMatP= 5.88D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.217D-04 0.537D-01 0.574D-02 0.172D+00 0.175D+00 0.594D+00
 Coeff:     -0.217D-04 0.537D-01 0.574D-02 0.172D+00 0.175D+00 0.594D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.66D-07 MaxDP=1.22D-05 DE=-5.11D-07 OVMax= 1.72D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.40D-07    CP:  1.00D+00  9.76D-01  3.49D-01  7.44D-01  5.74D-01
                    CP:  9.05D-01
 E= -1013.45129266720     Delta-E=       -0.000000004160 Rises=F Damp=F
 DIIS: error= 1.40D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45129266720     IErMin= 7 ErrMin= 1.40D-06
 ErrMax= 1.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.18D-10 BMatP= 5.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-04 0.960D-02 0.713D-03 0.345D-01 0.404D-01 0.325D+00
 Coeff-Com:  0.590D+00
 Coeff:     -0.118D-04 0.960D-02 0.713D-03 0.345D-01 0.404D-01 0.325D+00
 Coeff:      0.590D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.95D-08 MaxDP=5.51D-06 DE=-4.16D-09 OVMax= 5.79D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.65D-08    CP:  1.00D+00  9.76D-01  3.48D-01  7.46D-01  5.73D-01
                    CP:  9.10D-01  7.34D-01
 E= -1013.45129266806     Delta-E=       -0.000000000858 Rises=F Damp=F
 DIIS: error= 2.36D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45129266806     IErMin= 8 ErrMin= 2.36D-07
 ErrMax= 2.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.86D-11 BMatP= 9.18D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.651D-05 0.375D-02 0.282D-03 0.140D-01 0.173D-01 0.164D+00
 Coeff-Com:  0.334D+00 0.468D+00
 Coeff:     -0.651D-05 0.375D-02 0.282D-03 0.140D-01 0.173D-01 0.164D+00
 Coeff:      0.334D+00 0.468D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.23D-08 MaxDP=1.76D-06 DE=-8.58D-10 OVMax= 3.16D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.66D-08    CP:  1.00D+00  9.76D-01  3.48D-01  7.46D-01  5.74D-01
                    CP:  9.11D-01  7.34D-01  6.85D-01
 E= -1013.45129266815     Delta-E=       -0.000000000094 Rises=F Damp=F
 DIIS: error= 2.10D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45129266815     IErMin= 9 ErrMin= 2.10D-07
 ErrMax= 2.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.43D-11 BMatP= 5.86D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.266D-05 0.774D-03 0.788D-04 0.319D-02 0.456D-02 0.571D-01
 Coeff-Com:  0.136D+00 0.401D+00 0.398D+00
 Coeff:     -0.266D-05 0.774D-03 0.788D-04 0.319D-02 0.456D-02 0.571D-01
 Coeff:      0.136D+00 0.401D+00 0.398D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.57D-08 MaxDP=8.82D-07 DE=-9.41D-11 OVMax= 1.71D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.03D-09    CP:  1.00D+00  9.76D-01  3.48D-01  7.46D-01  5.75D-01
                    CP:  9.12D-01  7.35D-01  7.50D-01  5.23D-01
 E= -1013.45129266805     Delta-E=        0.000000000096 Rises=F Damp=F
 DIIS: error= 2.49D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1013.45129266815     IErMin=10 ErrMin= 2.49D-08
 ErrMax= 2.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.68D-13 BMatP= 3.43D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.837D-06 0.119D-03 0.217D-04 0.590D-03 0.104D-02 0.167D-01
 Coeff-Com:  0.438D-01 0.166D+00 0.200D+00 0.572D+00
 Coeff:     -0.837D-06 0.119D-03 0.217D-04 0.590D-03 0.104D-02 0.167D-01
 Coeff:      0.438D-01 0.166D+00 0.200D+00 0.572D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.29D-09 MaxDP=9.51D-08 DE= 9.64D-11 OVMax= 1.18D-07

 Error on total polarization charges =  0.04312
 SCF Done:  E(RB97D) =  -1013.45129267     A.U. after   10 cycles
            NFock= 10  Conv=0.23D-08     -V/T= 2.0213
 KE= 9.923475772205D+02 PE=-6.027322292460D+03 EE= 2.173627494848D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:00:57 2016, MaxMem=  2952790016 cpu:      1321.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37492.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 03:01:05 2016, MaxMem=  2952790016 cpu:        96.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:01:05 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:01:42 2016, MaxMem=  2952790016 cpu:       440.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21062163D+00-2.66105699D+00 3.28188437D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000078495    0.000461009   -0.000002785
      2        6           0.000170722   -0.000060914    0.000143497
      3        8           0.000026478    0.000010238   -0.000083030
      4        7           0.000067193   -0.000027431    0.000002263
      5        1          -0.000060406    0.000033635   -0.000019711
      6        6          -0.000039880   -0.000302652   -0.000067289
      7        1          -0.000002566   -0.000011263    0.000082032
      8        1           0.000061942    0.000094127   -0.000160221
      9        1           0.000057875    0.000173625    0.000231545
     10        6          -0.000005515    0.000090844    0.000061859
     11        1          -0.000028342   -0.000002426   -0.000079075
     12        1           0.000027834    0.000029728   -0.000046377
     13        1           0.000040872    0.000033441    0.000017959
     14        6          -0.000071490    0.000032281   -0.000017583
     15        8           0.000011377   -0.000054498   -0.000031785
     16        7           0.000013153    0.000043579   -0.000059713
     17        1           0.000006822   -0.000008381   -0.000040916
     18        6          -0.000000167    0.000029415   -0.000055002
     19        1           0.000005573    0.000002606   -0.000012915
     20        1           0.000002898   -0.000011398   -0.000051782
     21        1          -0.000027899   -0.000013829   -0.000043867
     22        6           0.000048824    0.000001605    0.000037940
     23        1           0.000011830    0.000011260   -0.000042641
     24        1           0.000046494   -0.000016973   -0.000020471
     25        1           0.000018039    0.000016239   -0.000029218
     26        6          -0.000056970   -0.000043265   -0.000001589
     27        8          -0.000025413    0.000034834    0.000092608
     28        7           0.000020269    0.000059276    0.000031326
     29        1           0.000014793   -0.000023641    0.000040111
     30        6           0.000024321   -0.000031294   -0.000033212
     31        1           0.000032080    0.000045321    0.000035723
     32        1          -0.000011844   -0.000020875    0.000023750
     33        1          -0.000022355   -0.000006156    0.000004255
     34        6           0.000002723   -0.000023732   -0.000007564
     35        1          -0.000022884   -0.000016255    0.000008695
     36        1          -0.000030417   -0.000005231   -0.000008799
     37        1          -0.000005479   -0.000025769    0.000009840
     38        6          -0.000285991   -0.000102290    0.000194152
     39        8           0.000068670    0.000127055   -0.000113526
     40        7           0.000044271    0.000238970    0.000032633
     41        1           0.000032821   -0.000091379    0.000007125
     42        6           0.000021212   -0.000286246   -0.000096336
     43        1           0.000017325   -0.000129342   -0.000006785
     44        1          -0.000243120   -0.000123605    0.000110682
     45        1           0.000039685   -0.000017614   -0.000105200
     46        6          -0.000056192    0.000048028    0.000232597
     47        1          -0.000006728   -0.000031782   -0.000074798
     48        1          -0.000000245   -0.000075141   -0.000076111
     49        1          -0.000010692   -0.000053734   -0.000012291
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000461009 RMS     0.000088133
 Leave Link  716 at Mon Nov 14 03:01:42 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000203648 RMS     0.000021631
 Search for a local minimum.
 Step number  63 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .21631D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   51   53   55
                                                     56   57   59   60   61
                                                     62   63
 DE=  2.15D-05 DEPred=-3.50D-05 R=-6.13D-01
 Trust test=-6.13D-01 RLast= 5.16D-01 DXMaxT set to 8.34D-02
 ITU= -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1
 ITU=  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  0
     Eigenvalues ---    0.00000   0.00008   0.00041   0.00105   0.00169
     Eigenvalues ---    0.00194   0.00225   0.00311   0.00369   0.00428
     Eigenvalues ---    0.00502   0.00537   0.00602   0.00703   0.00714
     Eigenvalues ---    0.00789   0.00848   0.00903   0.01007   0.01034
     Eigenvalues ---    0.01125   0.01189   0.01214   0.01254   0.01314
     Eigenvalues ---    0.01438   0.01501   0.01533   0.01582   0.01666
     Eigenvalues ---    0.01757   0.01758   0.01810   0.01885   0.01894
     Eigenvalues ---    0.01993   0.02103   0.02129   0.02230   0.02299
     Eigenvalues ---    0.02356   0.02522   0.02792   0.02876   0.03088
     Eigenvalues ---    0.03218   0.03798   0.04075   0.04289   0.04496
     Eigenvalues ---    0.04751   0.05295   0.05616   0.05897   0.05928
     Eigenvalues ---    0.06171   0.06336   0.06499   0.06653   0.06959
     Eigenvalues ---    0.07129   0.07225   0.07831   0.08000   0.08076
     Eigenvalues ---    0.08102   0.08224   0.08304   0.08422   0.08645
     Eigenvalues ---    0.08731   0.08902   0.09110   0.09143   0.09455
     Eigenvalues ---    0.09685   0.09790   0.09865   0.10104   0.10294
     Eigenvalues ---    0.10447   0.10491   0.10555   0.10928   0.11176
     Eigenvalues ---    0.11230   0.11394   0.11619   0.13007   0.13352
     Eigenvalues ---    0.14123   0.14274   0.14960   0.15207   0.15465
     Eigenvalues ---    0.15620   0.16645   0.22293   0.22514   0.23469
     Eigenvalues ---    0.24151   0.24679   0.24882   0.25769   0.26888
     Eigenvalues ---    0.27607   0.28266   0.29173   0.29519   0.29861
     Eigenvalues ---    0.31544   0.32742   0.32803   0.32814   0.32826
     Eigenvalues ---    0.33237   0.33319   0.33359   0.33373   0.33394
     Eigenvalues ---    0.33424   0.33433   0.33471   0.33693   0.33790
     Eigenvalues ---    0.33810   0.33836   0.33917   0.33932   0.33993
     Eigenvalues ---    0.34079   0.34441   0.37118   0.37896   0.39140
     Eigenvalues ---    0.41189   0.83296   0.85918   0.86086   0.86974
     Eigenvalues ---    2.46139
 Eigenvalue     1 is   1.92D-06 Eigenvector:
                         D381      D383      D373      D389      D369
   1                   -0.18420  -0.17950  -0.17493  -0.16844  -0.16564
                         D375      D371      D399      D397      D379
   1                   -0.16541  -0.16438  -0.16385  -0.16261  -0.15859
 Eigenvalue     2 is   8.39D-05 Eigenvector:
                          R4        R3        D78       D76       D74
   1                    0.22775   0.16709   0.15163   0.14941   0.13614
                          D62       D72      D220       D80       D64
   1                    0.13343   0.13181   0.12951   0.12226   0.11970
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    63   62   61   60   59
 RFO step:  Lambda=-2.51173647D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  6.26D-06 SmlDif=  1.00D-05
 RMS Error=  0.2297594654D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.32441    0.42702   -0.66239    0.45920    0.45176
 Iteration  1 RMS(Cart)=  0.00450847 RMS(Int)=  0.00048580
 Iteration  2 RMS(Cart)=  0.00052211 RMS(Int)=  0.00003208
 Iteration  3 RMS(Cart)=  0.00000204 RMS(Int)=  0.00003187
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003187
 ITry= 1 IFail=0 DXMaxC= 4.62D-02 DCOld= 1.00D+10 DXMaxT= 8.34D-02 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59655  -0.00006  -0.00308   0.00115  -0.00193   6.59462
    R2        6.26592  -0.00002  -0.00363   0.00090  -0.00272   6.26320
    R3        7.27554  -0.00010  -0.00703  -0.00348  -0.01049   7.26505
    R4        6.37035   0.00006  -0.00248  -0.00594  -0.00842   6.36193
    R5        6.52027   0.00007   0.00370   0.00046   0.00416   6.52443
    R6        5.97829   0.00003  -0.00014   0.00100   0.00085   5.97914
    R7        6.69551   0.00001   0.00067   0.00058   0.00125   6.69677
    R8        6.23099  -0.00001   0.00061  -0.00008   0.00052   6.23151
    R9        6.65803   0.00000  -0.00024  -0.00026  -0.00050   6.65754
   R10        6.07808  -0.00001  -0.00389   0.00041  -0.00349   6.07459
   R11        6.96155  -0.00002   0.00130   0.00067   0.00196   6.96351
   R12        6.03251   0.00000  -0.00006   0.00065   0.00059   6.03310
   R13        6.87098  -0.00003  -0.00168   0.00045  -0.00123   6.86975
   R14        6.19540   0.00001   0.00206   0.00069   0.00276   6.19816
   R15        6.87333   0.00001   0.00455   0.00134   0.00591   6.87924
   R16        5.95987   0.00001   0.00206   0.00006   0.00212   5.96199
   R17        6.68723   0.00001   0.00154   0.00027   0.00182   6.68905
   R18        6.65449   0.00011   0.01716  -0.00351   0.01367   6.66817
   R19        6.21259   0.00005  -0.00325   0.00131  -0.00185   6.21075
   R20        6.62312  -0.00020  -0.01496   0.00048  -0.01444   6.60868
   R21        6.07114  -0.00011   0.00847   0.00192   0.01022   6.08136
   R22        6.94223   0.00011   0.00002   0.00036   0.00049   6.94272
   R23        5.97344  -0.00003  -0.00232  -0.00030  -0.00262   5.97082
   R24        2.34993   0.00004  -0.00003  -0.00006  -0.00009   2.34984
   R25        2.57135  -0.00002   0.00013  -0.00010   0.00002   2.57137
   R26        2.09461   0.00004   0.00012   0.00008   0.00020   2.09481
   R27        2.76587  -0.00002  -0.00006  -0.00061  -0.00067   2.76519
   R28        2.76876  -0.00008  -0.00024  -0.00011  -0.00036   2.76840
   R29        2.07655  -0.00001  -0.00006   0.00007   0.00002   2.07657
   R30        2.08309  -0.00014   0.00000  -0.00020  -0.00020   2.08289
   R31        2.08287  -0.00001   0.00013  -0.00006   0.00007   2.08294
   R32        2.08124  -0.00004  -0.00011  -0.00008  -0.00019   2.08105
   R33        2.07466   0.00000   0.00002  -0.00002   0.00000   2.07465
   R34        2.08346   0.00001   0.00006  -0.00002   0.00004   2.08350
   R35        2.34889  -0.00001  -0.00001   0.00001   0.00000   2.34889
   R36        2.57164  -0.00001   0.00000  -0.00005  -0.00005   2.57158
   R37        2.09405   0.00001   0.00003   0.00001   0.00003   2.09408
   R38        2.76861   0.00000   0.00005  -0.00006   0.00000   2.76861
   R39        2.76518  -0.00002  -0.00014  -0.00003  -0.00016   2.76502
   R40        2.08181  -0.00002   0.00004  -0.00003   0.00001   2.08182
   R41        2.08398   0.00000   0.00000   0.00001   0.00001   2.08399
   R42        2.07434  -0.00001  -0.00006  -0.00002  -0.00008   2.07427
   R43        2.08317   0.00001   0.00001  -0.00001   0.00000   2.08317
   R44        2.08351  -0.00002  -0.00019   0.00006  -0.00010   2.08341
   R45        2.07667  -0.00001  -0.00004   0.00000  -0.00004   2.07664
   R46        2.34837   0.00006   0.00011   0.00005   0.00016   2.34853
   R47        2.57198  -0.00004  -0.00003   0.00000  -0.00005   2.57194
   R48        2.09351   0.00000  -0.00004  -0.00001  -0.00005   2.09346
   R49        2.76479   0.00001   0.00004  -0.00004  -0.00003   2.76477
   R50        2.76875  -0.00001  -0.00012   0.00003  -0.00009   2.76866
   R51        2.08432   0.00001   0.00001  -0.00001   0.00000   2.08432
   R52        2.08234   0.00002   0.00023  -0.00002   0.00016   2.08250
   R53        2.07604  -0.00001   0.00000  -0.00001  -0.00001   2.07603
   R54        2.08521   0.00000   0.00003  -0.00001   0.00002   2.08523
   R55        2.07375   0.00001  -0.00006  -0.00004  -0.00011   2.07364
   R56        2.07817   0.00000   0.00001  -0.00001   0.00000   2.07818
   R57        2.34796   0.00014   0.00016   0.00015   0.00031   2.34827
   R58        2.57214   0.00002   0.00019  -0.00011   0.00001   2.57216
   R59        2.09574   0.00004   0.00013   0.00001   0.00014   2.09588
   R60        2.76981  -0.00020   0.00058  -0.00072  -0.00021   2.76960
   R61        2.76484   0.00002   0.00030   0.00041   0.00065   2.76549
   R62        2.07478  -0.00001   0.00026   0.00010   0.00036   2.07513
   R63        2.08390  -0.00001  -0.00009   0.00007  -0.00001   2.08388
   R64        2.08007   0.00002  -0.00019  -0.00013  -0.00041   2.07965
   R65        2.07612  -0.00002  -0.00011  -0.00003  -0.00014   2.07598
   R66        2.08399   0.00003   0.00022  -0.00003   0.00019   2.08418
   R67        2.08304  -0.00002   0.00002  -0.00009  -0.00007   2.08297
    A1        0.67889   0.00000   0.00062  -0.00001   0.00061   0.67950
    A2        0.95464  -0.00001   0.00125   0.00000   0.00126   0.95590
    A3        0.72763  -0.00002  -0.00006  -0.00015  -0.00021   0.72742
    A4        1.01929  -0.00002   0.00016  -0.00020  -0.00004   1.01925
    A5        2.34235  -0.00001   0.00032   0.00035   0.00067   2.34301
    A6        2.02310  -0.00001   0.00107   0.00071   0.00177   2.02487
    A7        1.97872   0.00000   0.00191   0.00110   0.00300   1.98172
    A8        1.68506   0.00000   0.00227   0.00112   0.00339   1.68844
    A9        1.65318   0.00000   0.00077   0.00055   0.00131   1.65449
   A10        1.37185   0.00000   0.00099   0.00062   0.00159   1.37344
   A11        1.73309  -0.00001  -0.00065  -0.00056  -0.00120   1.73189
   A12        2.03798  -0.00001  -0.00069  -0.00058  -0.00126   2.03672
   A13        1.94242  -0.00002  -0.00064  -0.00038  -0.00102   1.94140
   A14        2.02788  -0.00001  -0.00147  -0.00062  -0.00208   2.02580
   A15        2.43285  -0.00001  -0.00066  -0.00055  -0.00120   2.43165
   A16        1.55953   0.00003   0.00616   0.00115   0.00729   1.56683
   A17        1.76611   0.00002   0.00467   0.00057   0.00523   1.77134
   A18        1.55582   0.00002   0.00174  -0.00018   0.00154   1.55736
   A19        1.69743   0.00000   0.00329  -0.00071   0.00260   1.70003
   A20        2.17489   0.00002   0.00458   0.00059   0.00518   2.18007
   A21        2.39404   0.00002   0.00422  -0.00008   0.00414   2.39818
   A22        0.64162  -0.00001   0.00036   0.00012   0.00047   0.64209
   A23        0.65894  -0.00002   0.00027  -0.00012   0.00015   0.65909
   A24        2.39236  -0.00001   0.00004   0.00009   0.00013   2.39248
   A25        2.21941   0.00000   0.00133   0.00065   0.00198   2.22139
   A26        2.31957   0.00000   0.00229   0.00107   0.00336   2.32293
   A27        2.05496   0.00000   0.00277   0.00111   0.00387   2.05883
   A28        1.81214   0.00000   0.00140   0.00068   0.00207   1.81421
   A29        1.57151   0.00000   0.00165   0.00080   0.00244   1.57394
   A30        1.34047  -0.00001  -0.00095  -0.00046  -0.00141   1.33905
   A31        1.63934  -0.00001  -0.00087  -0.00050  -0.00137   1.63797
   A32        1.58785  -0.00002  -0.00063  -0.00037  -0.00100   1.58685
   A33        1.73744  -0.00001  -0.00135  -0.00067  -0.00202   1.73542
   A34        2.03668  -0.00001  -0.00097  -0.00046  -0.00142   2.03526
   A35        1.81709   0.00003   0.00679   0.00136   0.00813   1.82522
   A36        1.89381   0.00002   0.00536   0.00067   0.00603   1.89983
   A37        1.55477   0.00003   0.00280   0.00024   0.00302   1.55778
   A38        1.57661   0.00000   0.00395  -0.00032   0.00364   1.58025
   A39        2.26013   0.00001   0.00416   0.00027   0.00445   2.26458
   A40        2.35345   0.00001   0.00310  -0.00064   0.00246   2.35591
   A41        0.68749  -0.00001   0.00037   0.00030   0.00068   0.68817
   A42        0.74362   0.00000   0.00114   0.00021   0.00135   0.74497
   A43        2.65548   0.00000  -0.00006   0.00018   0.00012   2.65560
   A44        2.59631   0.00000   0.00180   0.00090   0.00270   2.59900
   A45        2.65634   0.00000   0.00243   0.00104   0.00347   2.65981
   A46        2.35185   0.00000   0.00251   0.00095   0.00345   2.35531
   A47        2.18896   0.00000   0.00197   0.00097   0.00293   2.19189
   A48        1.95519   0.00000   0.00215   0.00103   0.00316   1.95835
   A49        1.09672  -0.00001  -0.00082  -0.00045  -0.00127   1.09544
   A50        1.45638  -0.00001  -0.00060  -0.00045  -0.00105   1.45534
   A51        1.55489  -0.00001  -0.00023  -0.00025  -0.00049   1.55441
   A52        1.78838  -0.00001  -0.00079  -0.00048  -0.00128   1.78710
   A53        1.78445  -0.00001  -0.00086  -0.00044  -0.00129   1.78316
   A54        1.67432   0.00002   0.00637   0.00120   0.00756   1.68188
   A55        1.62298   0.00001   0.00497   0.00038   0.00535   1.62833
   A56        1.23036   0.00003   0.00281   0.00013   0.00291   1.23327
   A57        1.20381  -0.00001   0.00359  -0.00051   0.00308   1.20689
   A58        1.93154   0.00000   0.00316  -0.00021   0.00297   1.93450
   A59        1.97810   0.00000   0.00232  -0.00099   0.00134   1.97944
   A60        0.84023  -0.00001  -0.00079   0.00016  -0.00062   0.83961
   A61        0.77539  -0.00001  -0.00039   0.00009  -0.00029   0.77510
   A62        2.60042   0.00000  -0.00272  -0.00026  -0.00298   2.59744
   A63        2.76451  -0.00001  -0.00030   0.00059   0.00030   2.76481
   A64        2.60921   0.00000   0.00341   0.00085   0.00426   2.61347
   A65        2.38907  -0.00001   0.00088   0.00090   0.00178   2.39085
   A66        2.19453  -0.00001   0.00161   0.00101   0.00261   2.19714
   A67        0.85592   0.00000  -0.00211  -0.00052  -0.00262   0.85330
   A68        1.23214  -0.00001  -0.00201  -0.00053  -0.00254   1.22960
   A69        1.41012  -0.00001  -0.00202  -0.00041  -0.00244   1.40768
   A70        1.67990  -0.00001  -0.00254  -0.00063  -0.00319   1.67672
   A71        1.52284   0.00000  -0.00188  -0.00048  -0.00235   1.52049
   A72        1.68811   0.00003   0.00774   0.00135   0.00909   1.69720
   A73        1.53274   0.00002   0.00640   0.00054   0.00694   1.53968
   A74        1.10787   0.00004   0.00491   0.00053   0.00542   1.11329
   A75        1.00511   0.00000   0.00491  -0.00016   0.00476   1.00986
   A76        1.76634   0.00001   0.00373  -0.00022   0.00352   1.76986
   A77        1.75487   0.00001   0.00252  -0.00098   0.00154   1.75640
   A78        1.99406   0.00001  -0.00005   0.00002  -0.00003   1.99403
   A79        1.93703   0.00000   0.00121   0.00054   0.00175   1.93878
   A80        2.21526   0.00000   0.00206   0.00091   0.00297   2.21823
   A81        2.07262   0.00000   0.00299   0.00108   0.00406   2.07668
   A82        1.54893   0.00000   0.00164   0.00074   0.00237   1.55130
   A83        1.38267   0.00000   0.00190   0.00090   0.00279   1.38546
   A84        1.20048   0.00000  -0.00113  -0.00025  -0.00137   1.19911
   A85        1.38498   0.00000  -0.00103  -0.00031  -0.00133   1.38364
   A86        1.21592   0.00000  -0.00062  -0.00021  -0.00083   1.21509
   A87        1.31921   0.00000  -0.00127  -0.00056  -0.00183   1.31738
   A88        1.81152   0.00000  -0.00115  -0.00033  -0.00148   1.81004
   A89        2.24910   0.00001   0.00656   0.00125   0.00781   2.25691
   A90        2.30370   0.00001   0.00532   0.00067   0.00599   2.30969
   A91        1.91695   0.00002   0.00325   0.00047   0.00370   1.92065
   A92        1.84455  -0.00001   0.00422   0.00005   0.00427   1.84882
   A93        2.60590  -0.00001   0.00301  -0.00003   0.00301   2.60891
   A94        2.54875   0.00000   0.00094  -0.00096   0.00000   2.54875
   A95        1.91305   0.00000  -0.00131  -0.00007  -0.00138   1.91167
   A96        1.99205   0.00000  -0.00022   0.00043   0.00020   1.99225
   A97        2.36775  -0.00001   0.00042   0.00071   0.00113   2.36888
   A98        2.32142  -0.00001   0.00188   0.00100   0.00288   2.32430
   A99        1.66320  -0.00001   0.00051   0.00076   0.00127   1.66447
   A100       1.57005  -0.00002   0.00083   0.00093   0.00175   1.57180
   A101       0.89294   0.00001  -0.00053  -0.00019  -0.00071   0.89222
   A102       1.06241   0.00001  -0.00081  -0.00029  -0.00110   1.06131
   A103       0.93090   0.00000  -0.00085  -0.00023  -0.00108   0.92983
   A104       1.08972   0.00000  -0.00173  -0.00058  -0.00231   1.08740
   A105       1.48884   0.00001  -0.00093  -0.00030  -0.00123   1.48761
   A106       2.41741   0.00002   0.00751   0.00140   0.00890   2.42631
   A107       2.30568   0.00001   0.00599   0.00063   0.00662   2.31230
   A108       1.87652   0.00003   0.00484   0.00073   0.00554   1.88206
   A109       1.71008   0.00000   0.00521   0.00034   0.00555   1.71563
   A110       2.44747   0.00001   0.00217  -0.00036   0.00183   2.44929
   A111       2.28642   0.00002   0.00059  -0.00099  -0.00038   2.28604
   A112       0.71382   0.00000   0.00003  -0.00002   0.00001   0.71384
   A113       1.00519   0.00000   0.00011  -0.00003   0.00009   1.00527
   A114       0.69553   0.00000  -0.00018  -0.00007  -0.00024   0.69528
   A115       0.98303   0.00000  -0.00030  -0.00008  -0.00037   0.98266
   A116       1.80696   0.00001  -0.00084   0.00005  -0.00079   1.80617
   A117       1.42546   0.00001  -0.00098   0.00007  -0.00091   1.42455
   A118       1.19304   0.00001  -0.00080   0.00011  -0.00068   1.19235
   A119       0.92060   0.00001  -0.00014   0.00037   0.00024   0.92084
   A120       1.24999   0.00001  -0.00096  -0.00010  -0.00106   1.24893
   A121       1.95001  -0.00002  -0.00607  -0.00132  -0.00738   1.94263
   A122       1.98501  -0.00001  -0.00529  -0.00070  -0.00599   1.97902
   A123       2.33265  -0.00002  -0.00274  -0.00030  -0.00301   2.32964
   A124       2.24277   0.00001  -0.00369   0.00035  -0.00335   2.23943
   A125       1.63052   0.00000  -0.00427  -0.00038  -0.00465   1.62587
   A126       1.50034   0.00000  -0.00402   0.00020  -0.00382   1.49652
   A127       0.65563   0.00000   0.00022  -0.00001   0.00021   0.65584
   A128       0.66057   0.00000  -0.00009  -0.00003  -0.00011   0.66046
   A129       2.17099   0.00001  -0.00059   0.00020  -0.00039   2.17059
   A130       1.79792   0.00001  -0.00080   0.00017  -0.00064   1.79728
   A131       1.50549   0.00001  -0.00039   0.00033  -0.00005   1.50543
   A132       1.21377   0.00001   0.00004   0.00052   0.00057   1.21434
   A133       1.64335   0.00001  -0.00104  -0.00017  -0.00121   1.64214
   A134       1.79506  -0.00002  -0.00586  -0.00160  -0.00744   1.78762
   A135       1.98489  -0.00001  -0.00589  -0.00108  -0.00696   1.97793
   A136       2.41081  -0.00003  -0.00462  -0.00113  -0.00572   2.40509
   A137       2.48301   0.00001  -0.00540  -0.00040  -0.00580   2.47721
   A138       1.73949   0.00000  -0.00445  -0.00056  -0.00501   1.73448
   A139       1.70813   0.00000  -0.00423   0.00007  -0.00416   1.70397
   A140       0.70455   0.00000  -0.00009  -0.00006  -0.00015   0.70440
   A141       0.83263   0.00000   0.00015   0.00001   0.00017   0.83280
   A142       2.49859   0.00001  -0.00114  -0.00021  -0.00135   2.49723
   A143       2.11852   0.00001  -0.00121  -0.00014  -0.00135   2.11717
   A144       1.90210   0.00001  -0.00063   0.00017  -0.00045   1.90165
   A145       1.61850   0.00001  -0.00001   0.00045   0.00045   1.61896
   A146       1.83612   0.00001  -0.00143  -0.00048  -0.00191   1.83420
   A147       1.36919  -0.00002  -0.00579  -0.00162  -0.00739   1.36180
   A148       1.59786  -0.00001  -0.00578  -0.00119  -0.00696   1.59090
   A149       2.02724  -0.00003  -0.00498  -0.00138  -0.00634   2.02090
   A150       2.20103   0.00001  -0.00592  -0.00104  -0.00696   2.19407
   A151       1.44143   0.00000  -0.00405  -0.00063  -0.00468   1.43676
   A152       1.50896   0.00000  -0.00378  -0.00006  -0.00384   1.50512
   A153       0.76517   0.00000   0.00035  -0.00010   0.00024   0.76542
   A154       0.76629   0.00001   0.00076  -0.00003   0.00073   0.76701
   A155       2.81000   0.00000  -0.00096  -0.00008  -0.00103   2.80897
   A156       2.42737   0.00001  -0.00106  -0.00004  -0.00110   2.42627
   A157       2.15998   0.00001  -0.00009   0.00036   0.00028   2.16026
   A158       1.86708   0.00001   0.00032   0.00053   0.00086   1.86794
   A159       2.14672   0.00001  -0.00162  -0.00049  -0.00211   2.14461
   A160       1.22940  -0.00001  -0.00530  -0.00161  -0.00689   1.22251
   A161       1.54438  -0.00001  -0.00557  -0.00121  -0.00676   1.53761
   A162       1.94336  -0.00003  -0.00540  -0.00154  -0.00692   1.93644
   A163       2.20002   0.00000  -0.00586  -0.00137  -0.00721   2.19282
   A164       1.51226   0.00000  -0.00370  -0.00057  -0.00427   1.50799
   A165       1.65815   0.00000  -0.00353  -0.00008  -0.00360   1.65455
   A166       2.16176   0.00000   0.00027   0.00071   0.00099   2.16275
   A167       1.86313   0.00000  -0.00012   0.00058   0.00047   1.86360
   A168       1.47826   0.00000   0.00029   0.00073   0.00103   1.47929
   A169       1.19893   0.00000   0.00023   0.00070   0.00095   1.19988
   A170       1.86997   0.00000  -0.00060   0.00014  -0.00045   1.86952
   A171       1.99357  -0.00001  -0.00482  -0.00171  -0.00650   1.98708
   A172       2.29217  -0.00001  -0.00565  -0.00129  -0.00693   2.28524
   A173       2.70790  -0.00003  -0.00509  -0.00162  -0.00669   2.70120
   A174       2.12683   0.00000  -0.00443  -0.00066  -0.00508   2.12175
   A175       2.11586  -0.00001  -0.00434   0.00001  -0.00432   2.11154
   A176       2.26977   0.00000   0.00039   0.00086   0.00125   2.27102
   A177       2.05056   0.00000  -0.00014   0.00068   0.00056   2.05111
   A178       1.64091   0.00000   0.00022   0.00081   0.00104   1.64195
   A179       1.38963   0.00000  -0.00011   0.00064   0.00055   1.39018
   A180       2.13590   0.00000  -0.00073   0.00019  -0.00052   2.13538
   A181       1.91885   0.00001  -0.00299  -0.00148  -0.00443   1.91442
   A182       2.28734   0.00000  -0.00407  -0.00120  -0.00525   2.28209
   A183       2.60562  -0.00001  -0.00348  -0.00150  -0.00495   2.60067
   A184       2.26335   0.00001  -0.00350  -0.00063  -0.00411   2.25924
   A185       2.33280   0.00000  -0.00393  -0.00002  -0.00394   2.32886
   A186       0.69182   0.00000  -0.00009  -0.00006  -0.00016   0.69166
   A187       0.98258   0.00000  -0.00029  -0.00015  -0.00045   0.98213
   A188       0.70039  -0.00001   0.00002   0.00002   0.00004   0.70043
   A189       2.09392   0.00000   0.00276   0.00067   0.00344   2.09736
   A190       1.72093   0.00000   0.00304   0.00025   0.00329   1.72422
   A191       1.38607   0.00002   0.00404   0.00083   0.00485   1.39092
   A192       1.08392   0.00000   0.00355   0.00071   0.00424   1.08816
   A193       1.62120  -0.00001   0.00064  -0.00049   0.00014   1.62134
   A194       1.40315   0.00000   0.00045  -0.00083  -0.00039   1.40276
   A195       0.66687   0.00000  -0.00022  -0.00005  -0.00029   0.66658
   A196       2.25064  -0.00001   0.00010   0.00021   0.00035   2.25100
   A197       1.85433  -0.00001   0.00123   0.00007   0.00130   1.85563
   A198       1.62649   0.00001   0.00339   0.00078   0.00415   1.63065
   A199       1.30889   0.00000   0.00232   0.00080   0.00309   1.31198
   A200       1.61496  -0.00001  -0.00094  -0.00057  -0.00152   1.61344
   A201       1.34268   0.00000  -0.00097  -0.00070  -0.00168   1.34099
   A202       0.71016   0.00000  -0.00043  -0.00020  -0.00064   0.70952
   A203       2.64116  -0.00001  -0.00175  -0.00016  -0.00181   2.63935
   A204       2.25309   0.00000   0.00019  -0.00011   0.00009   2.25318
   A205       2.03660   0.00002   0.00326   0.00071   0.00396   2.04056
   A206       1.71945   0.00000   0.00224   0.00071   0.00292   1.72237
   A207       1.95619  -0.00001  -0.00218  -0.00071  -0.00291   1.95328
   A208       1.66961   0.00000  -0.00214  -0.00069  -0.00284   1.66677
   A209       0.83498   0.00000   0.00009  -0.00001   0.00007   0.83505
   A210       2.69329  -0.00002  -0.00439  -0.00048  -0.00481   2.68848
   A211       2.38713  -0.00001  -0.00112  -0.00003  -0.00114   2.38599
   A212       2.28151   0.00001   0.00287   0.00074   0.00359   2.28510
   A213       1.96638   0.00000   0.00170   0.00081   0.00247   1.96885
   A214       2.01424  -0.00001  -0.00246  -0.00036  -0.00284   2.01140
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   A216       1.93546  -0.00001  -0.00191  -0.00008  -0.00198   1.93349
   A217       1.56503   0.00000  -0.00040   0.00000  -0.00041   1.56462
   A218       1.48212   0.00001   0.00201   0.00073   0.00274   1.48486
   A219       1.19138   0.00000   0.00033   0.00091   0.00120   1.19258
   A220       1.24638  -0.00001  -0.00166  -0.00051  -0.00218   1.24419
   A221       0.96073   0.00000  -0.00156  -0.00052  -0.00209   0.95864
   A222       0.71840  -0.00002  -0.00040   0.00001  -0.00041   0.71799
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   A227       0.66517  -0.00001   0.00042  -0.00004   0.00037   0.66554
   A228       0.70747  -0.00002   0.00110  -0.00011   0.00097   0.70844
   A229       0.84451  -0.00001   0.00207  -0.00019   0.00187   0.84638
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   A233       1.87056  -0.00001  -0.00244  -0.00056  -0.00299   1.86756
   A234       2.18989   0.00003  -0.00001   0.00024   0.00023   2.19011
   A235       2.12976  -0.00002  -0.00008  -0.00035  -0.00044   2.12932
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   A237       2.12474   0.00000   0.00009  -0.00061  -0.00052   2.12422
   A238       2.12659  -0.00001  -0.00009  -0.00012  -0.00020   2.12639
   A239       2.03130   0.00001   0.00002   0.00067   0.00071   2.03201
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   A241       2.53184   0.00007   0.00646   0.00203   0.00849   2.54033
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   A251       1.92777   0.00002  -0.00009   0.00016   0.00007   1.92783
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   A313       1.93376  -0.00009  -0.00289   0.00051  -0.00177   1.93199
   A314       1.90113   0.00013  -0.00040   0.00036   0.00002   1.90115
   A315       1.91056   0.00005   0.00123  -0.00069   0.00025   1.91081
   A316       1.91246  -0.00009  -0.00078  -0.00008  -0.00097   1.91148
   A317       1.89675  -0.00001   0.00305  -0.00059   0.00214   1.89888
   A318       1.73508   0.00001   0.00372  -0.00071   0.00301   1.73809
   A319       1.91472  -0.00002  -0.00060   0.00006  -0.00053   1.91419
   A320       1.91540  -0.00005   0.00011  -0.00012   0.00000   1.91541
   A321       1.92293   0.00004   0.00031  -0.00008   0.00022   1.92315
   A322       1.90611  -0.00002   0.00001  -0.00048  -0.00047   1.90564
   A323       1.91004   0.00002   0.00006   0.00036   0.00042   1.91046
   A324       1.89443   0.00002   0.00011   0.00025   0.00036   1.89479
   A325       2.93337  -0.00001   0.00316   0.00110   0.00426   2.93762
   A326       3.35061   0.00000   0.00406  -0.00016   0.00391   3.35452
   A327       3.06928  -0.00001   0.00427  -0.00009   0.00419   3.07347
   A328       3.18735   0.00002   0.00464  -0.00069   0.00394   3.19129
   A329       3.25959   0.00001   0.00199  -0.00022   0.00177   3.26136
   A330       3.26640  -0.00001   0.00303   0.00100   0.00403   3.27043
   A331       3.64512   0.00003   0.00378  -0.00035   0.00343   3.64855
   A332       3.21452  -0.00001  -0.00118   0.00054  -0.00065   3.21387
   A333       2.99754   0.00000  -0.00428  -0.00137  -0.00564   2.99191
   A334       2.93203   0.00001  -0.00446  -0.00159  -0.00604   2.92599
   A335       3.22829   0.00000  -0.00058   0.00000  -0.00058   3.22771
   A336       3.07951   0.00000  -0.00115   0.00016  -0.00098   3.07853
   A337       3.10180   0.00000  -0.00137  -0.00039  -0.00176   3.10004
   A338       3.03884  -0.00003   0.00006  -0.00032  -0.00028   3.03857
    D1        2.75831   0.00001  -0.00059   0.00066   0.00007   2.75838
    D2       -1.36121   0.00000  -0.00043   0.00033  -0.00010  -1.36131
    D3        2.78582  -0.00001  -0.00321   0.00030  -0.00291   2.78291
    D4       -1.33370  -0.00001  -0.00305  -0.00003  -0.00308  -1.33678
    D5        1.66430   0.00000  -0.00088   0.00001  -0.00088   1.66343
    D6       -2.45522   0.00000  -0.00073  -0.00032  -0.00105  -2.45626
    D7        1.84828  -0.00001  -0.00235   0.00010  -0.00225   1.84602
    D8       -2.27125  -0.00001  -0.00219  -0.00023  -0.00242  -2.27367
    D9        0.32619   0.00000  -0.00028   0.00064   0.00036   0.32655
   D10        2.48985  -0.00001  -0.00012   0.00031   0.00019   2.49004
   D11        0.04043   0.00000  -0.00158   0.00001  -0.00158   0.03885
   D12        2.20409  -0.00001  -0.00143  -0.00032  -0.00175   2.20235
   D13       -0.42870   0.00000  -0.00202  -0.00024  -0.00226  -0.43096
   D14        1.73496  -0.00001  -0.00186  -0.00057  -0.00244   1.73253
   D15       -0.54891  -0.00001  -0.00290  -0.00040  -0.00330  -0.55220
   D16        1.61476  -0.00001  -0.00274  -0.00073  -0.00347   1.61129
   D17        0.21954   0.00000  -0.00249  -0.00045  -0.00295   0.21659
   D18        2.38320  -0.00001  -0.00233  -0.00079  -0.00312   2.38008
   D19        0.15403   0.00000  -0.00267  -0.00068  -0.00335   0.15068
   D20        2.31769   0.00000  -0.00251  -0.00101  -0.00352   2.31417
   D21        2.40909   0.00000  -0.00215   0.00030  -0.00184   2.40725
   D22       -1.71043  -0.00001  -0.00199  -0.00003  -0.00202  -1.71245
   D23        2.16453  -0.00001  -0.00238   0.00037  -0.00201   2.16251
   D24       -1.95500  -0.00001  -0.00222   0.00004  -0.00219  -1.95718
   D25        1.72295   0.00000  -0.00192   0.00052  -0.00139   1.72156
   D26       -2.39657   0.00000  -0.00176   0.00019  -0.00156  -2.39814
   D27        1.41595   0.00000  -0.00170   0.00066  -0.00102   1.41493
   D28       -2.70357   0.00000  -0.00155   0.00033  -0.00119  -2.70476
   D29        2.37350  -0.00002  -0.00300   0.00011  -0.00289   2.37061
   D30       -1.74602  -0.00002  -0.00284  -0.00022  -0.00307  -1.74908
   D31       -1.77458   0.00000   0.00175   0.00115   0.00290  -1.77168
   D32        0.38909   0.00000   0.00191   0.00081   0.00273   0.39181
   D33       -2.11530   0.00000   0.00182   0.00055   0.00237  -2.11294
   D34        0.04836  -0.00001   0.00197   0.00022   0.00220   0.05056
   D35       -2.49303   0.00002   0.00227   0.00114   0.00339  -2.48964
   D36       -0.32937   0.00002   0.00242   0.00081   0.00322  -0.32615
   D37       -2.77801  -0.00001   0.00179   0.00091   0.00269  -2.77532
   D38       -0.61434  -0.00001   0.00195   0.00058   0.00252  -0.61182
   D39       -2.12736  -0.00002  -0.00052  -0.00054  -0.00106  -2.12841
   D40        0.03631  -0.00002  -0.00036  -0.00087  -0.00123   0.03508
   D41       -2.37545  -0.00001  -0.00185  -0.00153  -0.00336  -2.37881
   D42       -0.21179  -0.00001  -0.00169  -0.00186  -0.00353  -0.21531
   D43        1.25510   0.00002   0.00379   0.00101   0.00480   1.25989
   D44       -1.92331   0.00000   0.00250  -0.00241   0.00009  -1.92322
   D45        2.45272  -0.00001   0.00286   0.00049   0.00335   2.45606
   D46       -0.72569  -0.00003   0.00157  -0.00293  -0.00136  -0.72705
   D47        2.94108  -0.00002   0.00179   0.00032   0.00211   2.94319
   D48       -0.23732  -0.00004   0.00050  -0.00310  -0.00260  -0.23992
   D49        2.85704   0.00000   0.00578   0.00164   0.00742   2.86446
   D50       -0.32136  -0.00001   0.00449  -0.00178   0.00271  -0.31865
   D51        2.04885   0.00001   0.00405   0.00071   0.00474   2.05359
   D52       -1.12956  -0.00001   0.00276  -0.00271   0.00003  -1.12952
   D53        1.16562   0.00000   0.00058  -0.00089  -0.00031   1.16531
   D54       -2.01278  -0.00001  -0.00070  -0.00432  -0.00502  -2.01780
   D55        1.02236   0.00000  -0.00004  -0.00068  -0.00071   1.02164
   D56       -2.15605  -0.00001  -0.00133  -0.00410  -0.00542  -2.16147
   D57        2.02123   0.00001   0.00241   0.00008   0.00248   2.02371
   D58       -1.15718  -0.00001   0.00113  -0.00334  -0.00223  -1.15940
   D59        1.82699   0.00001   0.00222  -0.00008   0.00213   1.82912
   D60       -1.35141   0.00000   0.00094  -0.00351  -0.00258  -1.35399
   D61       -2.27578   0.00001   0.00181   0.00048   0.00229  -2.27349
   D62        0.82900  -0.00001   0.00053  -0.00294  -0.00242   0.82658
   D63       -2.41337   0.00000   0.00200   0.00056   0.00256  -2.41081
   D64        0.69141  -0.00001   0.00072  -0.00286  -0.00215   0.68926
   D65       -2.81620   0.00000   0.00239   0.00070   0.00309  -2.81311
   D66        0.28858  -0.00001   0.00110  -0.00272  -0.00162   0.28697
   D67       -2.99524   0.00001   0.00217   0.00062   0.00280  -2.99244
   D68        0.10954  -0.00001   0.00088  -0.00280  -0.00191   0.10764
   D69       -2.13919   0.00000   0.00210   0.00052   0.00262  -2.13657
   D70        0.96559  -0.00002   0.00081  -0.00290  -0.00209   0.96350
   D71       -0.16837  -0.00001   0.00172   0.00068   0.00240  -0.16597
   D72        2.93641  -0.00002   0.00043  -0.00274  -0.00231   2.93411
   D73       -0.56297   0.00000   0.00270   0.00058   0.00328  -0.55969
   D74        2.54181  -0.00002   0.00141  -0.00284  -0.00142   2.54038
   D75       -0.74226   0.00002   0.00540   0.00154   0.00695  -0.73531
   D76        2.36252   0.00000   0.00412  -0.00188   0.00224   2.36477
   D77       -1.07984   0.00001   0.00458   0.00160   0.00617  -1.07367
   D78        2.02494  -0.00001   0.00330  -0.00183   0.00146   2.02640
   D79       -0.83843  -0.00001   0.00039  -0.00020   0.00019  -0.83824
   D80        2.26635  -0.00003  -0.00089  -0.00362  -0.00452   2.26184
   D81       -1.14464   0.00000   0.00001  -0.00019  -0.00018  -1.14482
   D82        1.96014  -0.00002  -0.00127  -0.00361  -0.00488   1.95525
   D83       -1.53758   0.00001   0.00169   0.00011   0.00181  -1.53577
   D84       -2.61163  -0.00001   0.00083   0.00020   0.00103  -2.61060
   D85       -2.94700   0.00000  -0.00123   0.00017  -0.00106  -2.94806
   D86        0.73293   0.00000   0.00225   0.00068   0.00294   0.73587
   D87        0.30989   0.00000   0.00201   0.00060   0.00261   0.31249
   D88       -0.06459  -0.00001   0.00247   0.00079   0.00326  -0.06134
   D89       -0.40078   0.00000   0.00143   0.00045   0.00187  -0.39891
   D90        0.18208   0.00000   0.00100   0.00013   0.00112   0.18320
   D91       -0.05564   0.00001   0.00106   0.00006   0.00112  -0.05452
   D92        2.40429   0.00000   0.00084   0.00064   0.00147   2.40576
   D93        2.05485   0.00001   0.00062   0.00060   0.00123   2.05608
   D94        1.66229   0.00001   0.00069   0.00063   0.00133   1.66362
   D95        1.37425   0.00000   0.00069   0.00061   0.00132   1.37557
   D96        2.05566   0.00001   0.00072   0.00044   0.00117   2.05683
   D97       -1.92325   0.00000   0.00309   0.00120   0.00423  -1.91902
   D98       -2.44210   0.00000   0.00140   0.00042   0.00183  -2.44028
   D99       -2.66512   0.00002   0.00329   0.00124   0.00452  -2.66060
   D100      -2.99006   0.00001   0.00149   0.00134   0.00281  -2.98725
   D101      -2.88825  -0.00001  -0.00499  -0.00110  -0.00608  -2.89433
   D102       2.86293   0.00000  -0.00570  -0.00021  -0.00591   2.85702
   D103      -2.90110  -0.00001  -0.00370  -0.00191  -0.00561  -2.90671
   D104       1.19669  -0.00001  -0.00386  -0.00196  -0.00582   1.19088
   D105       2.81124   0.00000  -0.00418  -0.00196  -0.00614   2.80510
   D106       0.62585   0.00000  -0.00434  -0.00201  -0.00635   0.61950
   D107       2.31549   0.00000  -0.00553  -0.00247  -0.00800   2.30749
   D108       0.13010   0.00000  -0.00569  -0.00252  -0.00822   0.12189
   D109       1.75787   0.00002  -0.00412  -0.00222  -0.00635   1.75152
   D110      -0.42752   0.00002  -0.00428  -0.00228  -0.00656  -0.43408
   D111       2.59285   0.00000  -0.00347  -0.00160  -0.00506   2.58778
   D112       0.40746   0.00000  -0.00363  -0.00165  -0.00527   0.40218
   D113       2.25513   0.00001  -0.00271  -0.00154  -0.00425   2.25088
   D114       0.06974   0.00001  -0.00287  -0.00159  -0.00446   0.06528
   D115      -1.61167   0.00000  -0.00026  -0.00021  -0.00048  -1.61215
   D116       2.48612   0.00000  -0.00042  -0.00027  -0.00069   2.48544
   D117      -1.77376   0.00000   0.00021  -0.00031  -0.00011  -1.77387
   D118       2.32403   0.00000   0.00005  -0.00037  -0.00032   2.32371
   D119      -2.73478  -0.00001  -0.00021  -0.00018  -0.00039  -2.73517
   D120       1.36302  -0.00001  -0.00036  -0.00024  -0.00060   1.36242
   D121      -2.69791  -0.00001  -0.00078  -0.00030  -0.00109  -2.69900
   D122       1.39989  -0.00001  -0.00094  -0.00036  -0.00130   1.39859
   D123       1.32660   0.00000  -0.00189  -0.00135  -0.00324   1.32336
   D124      -0.85879   0.00000  -0.00204  -0.00140  -0.00345  -0.86224
   D125       1.29620   0.00000  -0.00182  -0.00127  -0.00310   1.29311
   D126      -0.88919   0.00000  -0.00198  -0.00133  -0.00331  -0.89249
   D127       1.65159   0.00000  -0.00198  -0.00138  -0.00337   1.64822
   D128      -0.53380   0.00000  -0.00214  -0.00143  -0.00358  -0.53738
   D129       1.77752  -0.00001  -0.00102  -0.00104  -0.00207   1.77545
   D130      -0.40786  -0.00001  -0.00117  -0.00109  -0.00228  -0.41015
   D131       0.89587   0.00000  -0.00178  -0.00118  -0.00296   0.89291
   D132      -1.28952   0.00000  -0.00194  -0.00123  -0.00317  -1.29269
   D133      -0.95054   0.00001  -0.00083  -0.00136  -0.00218  -0.95272
   D134      -3.13593   0.00001  -0.00099  -0.00142  -0.00240  -3.13832
   D135      -0.52160   0.00000  -0.00298  -0.00141  -0.00438  -0.52598
   D136      -2.70699   0.00000  -0.00314  -0.00146  -0.00459  -2.71158
   D137      -0.21267  -0.00004  -0.00613  -0.00250  -0.00863  -0.22130
   D138      -2.39806  -0.00003  -0.00629  -0.00255  -0.00884  -2.40690
   D139       0.19308   0.00000  -0.00615  -0.00227  -0.00841   0.18467
   D140      -1.99231   0.00000  -0.00631  -0.00232  -0.00862  -2.00093
   D141      -0.31055   0.00001  -0.00144  -0.00076  -0.00218  -0.31274
   D142      -2.49594   0.00001  -0.00160  -0.00081  -0.00239  -2.49834
   D143      -0.05402   0.00000  -0.00142  -0.00053  -0.00194  -0.05596
   D144      -2.23940   0.00000  -0.00157  -0.00059  -0.00216  -2.24156
   D145      -2.47164  -0.00001  -0.00259  -0.00047  -0.00307  -2.47471
   D146      -2.72300  -0.00001  -0.00270  -0.00052  -0.00322  -2.72622
   D147      -2.41048   0.00000  -0.00030   0.00085   0.00055  -2.40993
   D148       3.00617   0.00001  -0.00347  -0.00086  -0.00433   3.00184
   D149       2.62457   0.00002  -0.00463  -0.00124  -0.00587   2.61870
   D150       1.51832   0.00000  -0.00089   0.00024  -0.00066   1.51766
   D151       2.61972  -0.00001  -0.00115   0.00018  -0.00098   2.61875
   D152       2.99428  -0.00001  -0.00161   0.00011  -0.00149   2.99279
   D153       1.18475   0.00000  -0.00316  -0.00156  -0.00474   1.18002
   D154       1.24657   0.00000  -0.00247  -0.00098  -0.00346   1.24311
   D155       1.63790   0.00001  -0.00265  -0.00090  -0.00355   1.63435
   D156       1.71488   0.00000  -0.00151  -0.00035  -0.00188   1.71300
   D157       0.89643   0.00000  -0.00187  -0.00058  -0.00246   0.89397
   D158      -1.00187   0.00002   0.00115  -0.00020   0.00095  -1.00091
   D159      -0.67574   0.00001   0.00013  -0.00025  -0.00010  -0.67585
   D160      -0.70557   0.00000  -0.00205  -0.00079  -0.00284  -0.70841
   D161      -0.39384  -0.00001  -0.00087  -0.00131  -0.00215  -0.39599
   D162      -0.29703   0.00001   0.00094   0.00006   0.00100  -0.29603
   D163      -0.01621   0.00000   0.00088  -0.00014   0.00074  -0.01547
   D164      -1.28428  -0.00001  -0.00201  -0.00143  -0.00344  -1.28773
   D165       1.66588  -0.00001  -0.00168  -0.00102  -0.00270   1.66318
   D166      -1.65589  -0.00001  -0.00205  -0.00131  -0.00336  -1.65925
   D167       1.29427  -0.00001  -0.00171  -0.00091  -0.00262   1.29165
   D168      -1.73639  -0.00001  -0.00172  -0.00097  -0.00269  -1.73908
   D169       1.21377  -0.00001  -0.00139  -0.00057  -0.00195   1.21182
   D170      -1.99144  -0.00001  -0.00453  -0.00125  -0.00579  -1.99722
   D171       0.95873  -0.00001  -0.00419  -0.00085  -0.00505   0.95368
   D172      -2.00508   0.00000  -0.00210  -0.00132  -0.00342  -2.00850
   D173       0.94508   0.00000  -0.00177  -0.00091  -0.00268   0.94240
   D174      -2.30782   0.00001  -0.00224  -0.00128  -0.00353  -2.31135
   D175       0.64235   0.00001  -0.00191  -0.00088  -0.00279   0.63956
   D176       1.97667  -0.00001   0.00045  -0.00023   0.00022   1.97689
   D177      -1.35635  -0.00001   0.00078   0.00018   0.00096  -1.35539
   D178       0.83038  -0.00001   0.00019  -0.00029  -0.00010   0.83028
   D179      -2.50264  -0.00001   0.00052   0.00012   0.00064  -2.50200
   D180       0.36578  -0.00001   0.00047  -0.00037   0.00009   0.36587
   D181      -2.96725   0.00000   0.00080   0.00003   0.00083  -2.96642
   D182      -3.10843   0.00000  -0.00184  -0.00131  -0.00315  -3.11158
   D183      -0.15827   0.00000  -0.00151  -0.00090  -0.00241  -0.16068
   D184       2.90822   0.00000  -0.00155  -0.00117  -0.00273   2.90550
   D185      -0.42480   0.00000  -0.00122  -0.00077  -0.00199  -0.42679
   D186       3.06170   0.00000  -0.00134  -0.00104  -0.00239   3.05931
   D187      -0.27132   0.00001  -0.00100  -0.00064  -0.00165  -0.27297
   D188       2.96903   0.00000  -0.00011  -0.00048  -0.00059   2.96844
   D189      -0.36399   0.00000   0.00023  -0.00007   0.00015  -0.36385
   D190       2.46206   0.00000  -0.00138  -0.00121  -0.00259   2.45947
   D191      -0.87096   0.00000  -0.00104  -0.00081  -0.00185  -0.87282
   D192       0.31127   0.00002   0.00458  -0.00008   0.00453   0.31581
   D193      -3.02175   0.00002   0.00491   0.00033   0.00527  -3.01648
   D194       0.62490   0.00001   0.00289  -0.00063   0.00229   0.62719
   D195      -2.70812   0.00001   0.00322  -0.00022   0.00303  -2.70510
   D196       0.42955   0.00002   0.00176  -0.00130   0.00043   0.42998
   D197      -2.90347   0.00002   0.00209  -0.00089   0.00117  -2.90231
   D198       1.09371   0.00001   0.00176  -0.00056   0.00121   1.09492
   D199      -2.23931   0.00001   0.00209  -0.00016   0.00195  -2.23736
   D200       1.43128   0.00000   0.00074  -0.00067   0.00007   1.43134
   D201      -1.90175   0.00000   0.00108  -0.00027   0.00081  -1.90094
   D202       1.60804   0.00001  -0.00055  -0.00078  -0.00133   1.60671
   D203      -0.60450   0.00001  -0.00055  -0.00032  -0.00087  -0.60537
   D204       1.68116   0.00001  -0.00102  -0.00070  -0.00172   1.67943
   D205      -0.53138   0.00001  -0.00102  -0.00024  -0.00126  -0.53264
   D206       1.36414   0.00001  -0.00191  -0.00108  -0.00299   1.36115
   D207      -0.84840   0.00000  -0.00192  -0.00061  -0.00253  -0.85093
   D208       1.19918   0.00002  -0.00057  -0.00097  -0.00154   1.19764
   D209      -1.01336   0.00001  -0.00057  -0.00051  -0.00108  -1.01443
   D210       2.11280   0.00000  -0.00110  -0.00065  -0.00175   2.11105
   D211      -0.09974  -0.00001  -0.00110  -0.00018  -0.00128  -0.10102
   D212       2.22874   0.00000   0.00006  -0.00053  -0.00047   2.22826
   D213       0.01620   0.00000   0.00006  -0.00006  -0.00001   0.01619
   D214      -2.23158   0.00000  -0.00100  -0.00067  -0.00167  -2.23325
   D215       1.83906   0.00000  -0.00100  -0.00020  -0.00120   1.83786
   D216      -2.39845   0.00000  -0.00015  -0.00018  -0.00033  -2.39878
   D217       1.67220   0.00000  -0.00015   0.00028   0.00013   1.67233
   D218      -2.00927   0.00001   0.00044   0.00050   0.00095  -2.00832
   D219       2.06138   0.00000   0.00044   0.00097   0.00141   2.06279
   D220      -2.12448   0.00001   0.00413   0.00200   0.00615  -2.11833
   D221       1.94617   0.00001   0.00413   0.00247   0.00661   1.95278
   D222      -2.89249   0.00000   0.00003  -0.00028  -0.00026  -2.89276
   D223       1.17816   0.00000   0.00002   0.00018   0.00020   1.17835
   D224       3.05453   0.00000   0.00022  -0.00038  -0.00017   3.05435
   D225       0.84199   0.00000   0.00022   0.00008   0.00029   0.84228
   D226      -2.71548  -0.00001  -0.00074  -0.00068  -0.00142  -2.71690
   D227       1.35517  -0.00001  -0.00075  -0.00021  -0.00096   1.35421
   D228      -2.66168   0.00000  -0.00186  -0.00113  -0.00299  -2.66468
   D229       1.40897   0.00000  -0.00187  -0.00067  -0.00253   1.40643
   D230      -1.56949   0.00000  -0.00144  -0.00100  -0.00244  -1.57193
   D231       2.50116  -0.00001  -0.00144  -0.00054  -0.00198   2.49918
   D232      -0.04410  -0.00002  -0.00802  -0.00193  -0.00992  -0.05402
   D233      -2.25664  -0.00003  -0.00803  -0.00147  -0.00946  -2.26609
   D234      -0.18833  -0.00001  -0.00585  -0.00131  -0.00716  -0.19549
   D235      -2.40087  -0.00001  -0.00586  -0.00084  -0.00670  -2.40757
   D236       0.08329  -0.00001  -0.00314  -0.00085  -0.00398   0.07931
   D237      -2.12925  -0.00002  -0.00314  -0.00039  -0.00352  -2.13276
   D238      -0.02091   0.00001  -0.00507  -0.00036  -0.00547  -0.02639
   D239      -2.23345   0.00001  -0.00508   0.00010  -0.00501  -2.23846
   D240      -0.58711   0.00000  -0.00530  -0.00117  -0.00648  -0.59359
   D241      -2.79964  -0.00001  -0.00530  -0.00071  -0.00602  -2.80566
   D242      -0.77521   0.00000  -0.00492  -0.00069  -0.00561  -0.78081
   D243      -2.98774  -0.00001  -0.00492  -0.00022  -0.00515  -2.99289
   D244      -2.93301   0.00000  -0.00042  -0.00080  -0.00122  -2.93423
   D245      -0.01365   0.00000   0.00088   0.00009   0.00097  -0.01268
   D246      -3.12126   0.00000  -0.00090  -0.00061  -0.00151  -3.12277
   D247      -0.20190   0.00000   0.00040   0.00028   0.00068  -0.20122
   D248       2.77960   0.00000  -0.00142  -0.00085  -0.00227   2.77733
   D249      -0.58423   0.00000  -0.00012   0.00004  -0.00008  -0.58431
   D250       2.54293   0.00001  -0.00094  -0.00074  -0.00168   2.54125
   D251      -0.82089   0.00001   0.00036   0.00015   0.00051  -0.82038
   D252      -2.89142   0.00000  -0.00115  -0.00044  -0.00158  -2.89301
   D253       0.02794   0.00000   0.00015   0.00045   0.00060   0.02854
   D254      -3.06613   0.00001  -0.00006  -0.00036  -0.00041  -3.06653
   D255      -0.14677   0.00001   0.00124   0.00053   0.00178  -0.14499
   D256      -0.65405   0.00000  -0.00009  -0.00033  -0.00042  -0.65446
   D257       2.26531   0.00000   0.00121   0.00056   0.00177   2.26708
   D258      -0.90152   0.00000   0.00049   0.00005   0.00055  -0.90097
   D259       2.01784   0.00000   0.00179   0.00094   0.00273   2.02058
   D260      -0.73818   0.00000   0.00112   0.00047   0.00159  -0.73659
   D261       2.18118   0.00000   0.00241   0.00136   0.00378   2.18495
   D262      -0.94232   0.00000   0.00213   0.00069   0.00282  -0.93950
   D263       1.97704   0.00000   0.00343   0.00158   0.00501   1.98205
   D264      -1.30966   0.00000   0.00056   0.00010   0.00066  -1.30900
   D265       1.60970   0.00000   0.00186   0.00099   0.00284   1.61255
   D266      -1.54856   0.00000   0.00072   0.00018   0.00088  -1.54767
   D267       1.37080   0.00000   0.00202   0.00106   0.00307   1.37387
   D268       1.97932  -0.00001  -0.00010  -0.00031  -0.00042   1.97891
   D269      -1.38451  -0.00001   0.00119   0.00058   0.00177  -1.38273
   D270       0.85788   0.00000  -0.00054  -0.00055  -0.00109   0.85679
   D271      -2.50595   0.00000   0.00076   0.00034   0.00110  -2.50485
   D272       1.02139  -0.00002  -0.01379  -0.00287  -0.01668   1.00471
   D273      -2.34244  -0.00002  -0.01249  -0.00198  -0.01450  -2.35693
   D274       1.15448  -0.00001  -0.00764  -0.00114  -0.00876   1.14572
   D275      -2.20934  -0.00001  -0.00634  -0.00025  -0.00658  -2.21592
   D276       1.60050  -0.00002  -0.00376  -0.00071  -0.00443   1.59606
   D277      -1.76333  -0.00002  -0.00246   0.00018  -0.00224  -1.76557
   D278       1.58269   0.00001  -0.00484  -0.00024  -0.00509   1.57760
   D279      -1.78114   0.00001  -0.00354   0.00065  -0.00290  -1.78404
   D280       0.82494   0.00000  -0.00445  -0.00041  -0.00486   0.82008
   D281      -2.53888   0.00000  -0.00315   0.00048  -0.00268  -2.54156
   D282       0.80104  -0.00001  -0.00368   0.00019  -0.00349   0.79755
   D283      -2.56278  -0.00001  -0.00238   0.00108  -0.00131  -2.56409
   D284       1.57724   0.00002  -0.00050  -0.00024  -0.00074   1.57650
   D285      -2.63930   0.00002  -0.00085  -0.00044  -0.00129  -2.64059
   D286       1.64162   0.00001  -0.00144  -0.00026  -0.00170   1.63992
   D287      -2.57492   0.00001  -0.00179  -0.00046  -0.00225  -2.57717
   D288       1.33364   0.00000  -0.00213  -0.00055  -0.00267   1.33097
   D289      -2.88290   0.00000  -0.00248  -0.00075  -0.00323  -2.88613
   D290       1.24367   0.00001  -0.00068  -0.00040  -0.00107   1.24260
   D291      -2.97287   0.00001  -0.00103  -0.00060  -0.00163  -2.97450
   D292       2.03952   0.00000  -0.00190  -0.00030  -0.00220   2.03732
   D293      -2.17702   0.00000  -0.00225  -0.00051  -0.00276  -2.17978
   D294       2.02008   0.00001  -0.00095  -0.00028  -0.00123   2.01886
   D295      -2.19646   0.00001  -0.00130  -0.00048  -0.00178  -2.19824
   D296      -2.30020   0.00001  -0.00177  -0.00021  -0.00199  -2.30219
   D297      -0.23356   0.00001  -0.00212  -0.00042  -0.00254  -0.23610
   D298      -2.27490   0.00000  -0.00115   0.00015  -0.00100  -2.27590
   D299      -0.20826   0.00000  -0.00150  -0.00005  -0.00156  -0.20982
   D300      -1.88657   0.00000  -0.00102   0.00030  -0.00073  -1.88730
   D301       0.18007   0.00000  -0.00137   0.00009  -0.00128   0.17879
   D302      -1.82485   0.00000  -0.00028   0.00049   0.00021  -1.82463
   D303       0.24180   0.00000  -0.00063   0.00028  -0.00035   0.24145
   D304      -2.62069   0.00000  -0.00066   0.00042  -0.00024  -2.62093
   D305      -0.55405   0.00000  -0.00101   0.00022  -0.00079  -0.55484
   D306      -2.74530  -0.00001  -0.00047   0.00061   0.00013  -2.74517
   D307      -0.67865  -0.00001  -0.00083   0.00041  -0.00043  -0.67908
   D308       1.52274   0.00000  -0.00181  -0.00054  -0.00235   1.52038
   D309      -2.69380   0.00000  -0.00217  -0.00075  -0.00291  -2.69671
   D310       2.62345   0.00000  -0.00166  -0.00051  -0.00218   2.62127
   D311      -1.59309   0.00000  -0.00201  -0.00071  -0.00274  -1.59582
   D312       3.00616   0.00000  -0.00243  -0.00081  -0.00325   3.00291
   D313      -1.21038   0.00000  -0.00278  -0.00102  -0.00381  -1.21419
   D314      -0.43444  -0.00001  -0.00826  -0.00167  -0.00992  -0.44436
   D315       1.63220  -0.00001  -0.00861  -0.00187  -0.01048   1.62173
   D316      -0.28930  -0.00001  -0.00712  -0.00094  -0.00805  -0.29735
   D317       1.77734  -0.00001  -0.00747  -0.00114  -0.00860   1.76874
   D318       0.13358  -0.00003  -0.00571  -0.00096  -0.00665   0.12693
   D319       2.20023  -0.00003  -0.00606  -0.00117  -0.00721   2.19302
   D320       0.26553   0.00001  -0.00695  -0.00063  -0.00758   0.25795
   D321       2.33217   0.00001  -0.00730  -0.00084  -0.00814   2.32403
   D322      -0.55034   0.00000  -0.00554  -0.00039  -0.00594  -0.55628
   D323       1.51630   0.00000  -0.00589  -0.00060  -0.00649   1.50981
   D324      -0.58717  -0.00001  -0.00558   0.00035  -0.00522  -0.59239
   D325       1.47948  -0.00001  -0.00593   0.00015  -0.00578   1.47370
   D326       0.05731  -0.00001   0.00033   0.00171   0.00206   0.05937
   D327       2.23900   0.00001   0.00285   0.00135   0.00423   2.24324
   D328       0.36544  -0.00001   0.00034   0.00146   0.00182   0.36727
   D329       2.54714   0.00001   0.00286   0.00111   0.00399   2.55114
   D330       0.72754   0.00000   0.00117   0.00173   0.00290   0.73044
   D331       2.90924   0.00001   0.00370   0.00137   0.00507   2.91431
   D332       1.00536  -0.00001   0.00186   0.00175   0.00359   1.00895
   D333      -3.09613   0.00000   0.00439   0.00139   0.00576  -3.09037
   D334       0.31021  -0.00001  -0.00058   0.00097   0.00044   0.31065
   D335       2.49191   0.00001   0.00194   0.00061   0.00261   2.49452
   D336       0.69470  -0.00002   0.00091   0.00130   0.00221   0.69691
   D337       2.87639  -0.00001   0.00343   0.00095   0.00438   2.88077
   D338      -2.35572  -0.00001  -0.00098   0.00120   0.00021  -2.35551
   D339      -0.17402   0.00001   0.00155   0.00084   0.00238  -0.17164
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   D341       0.20622   0.00001   0.00092   0.00050   0.00138   0.20760
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   D379      -1.59375  -0.00001   0.02409   0.00919   0.03329  -1.56046
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   D381       0.88375   0.00003   0.02589   0.00994   0.03583   0.91959
   D382      -2.21772   0.00002  -0.00045   0.00163   0.00124  -2.21648
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   D386      -1.64246   0.00001  -0.00317   0.00051  -0.00264  -1.64510
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   D389       1.97103  -0.00002   0.02056   0.00928   0.02986   2.00089
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   D391       2.56022  -0.00003   0.01666   0.00750   0.02407   2.58429
   D392       1.78396   0.00001  -0.00141   0.00102  -0.00037   1.78359
   D393      -0.83833   0.00000   0.02320   0.00907   0.03227  -0.80606
   D394       2.08306   0.00001  -0.00077   0.00102   0.00025   2.08331
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   D397      -0.59595   0.00000   0.02526   0.00926   0.03449  -0.56146
   D398       2.22186   0.00003   0.00112   0.00096   0.00205   2.22391
   D399      -0.40043   0.00002   0.02573   0.00900   0.03469  -0.36574
   D400       2.48484   0.00000  -0.00141   0.00098  -0.00043   2.48441
   D401      -0.13745  -0.00001   0.02319   0.00903   0.03221  -0.10524
   D402      -1.52563  -0.00001  -0.00762  -0.00035  -0.00797  -1.53360
   D403       2.13527  -0.00001   0.01699   0.00770   0.02467   2.15994
   D404      -2.62648  -0.00002  -0.00611  -0.00078  -0.00689  -2.63337
   D405       1.03442  -0.00003   0.01850   0.00727   0.02575   1.06016
   D406      -2.98954  -0.00001  -0.00458  -0.00080  -0.00538  -2.99492
   D407       0.67136  -0.00002   0.02002   0.00725   0.02725   0.69862
   D408       1.90440   0.00001   0.00326   0.00311   0.00636   1.91076
   D409       2.39540   0.00001   0.00533   0.00325   0.00857   2.40397
   D410       2.62665   0.00001   0.00501   0.00285   0.00785   2.63450
   D411       2.85756   0.00000   0.00633   0.00281   0.00914   2.86670
   D412       2.81296   0.00001   0.00919   0.00377   0.01294   2.82591
   D413      -2.97474   0.00000   0.00968   0.00325   0.01295  -2.96179
   D414      -0.76367   0.00000   0.00283   0.00219   0.00501  -0.75866
   D415      -0.38218   0.00000   0.00265   0.00218   0.00482  -0.37737
   D416      -0.07387   0.00001   0.00304   0.00211   0.00514  -0.06873
   D417       0.23512   0.00000   0.00302   0.00214   0.00515   0.24027
   D418      -0.24472  -0.00001   0.00196   0.00229   0.00423  -0.24049
   D419       0.06999  -0.00001   0.00022   0.00209   0.00228   0.07227
   D420      -2.57448   0.00000   0.00390   0.00220   0.00610  -2.56838
   D421      -2.19140  -0.00001   0.00400   0.00216   0.00617  -2.18523
   D422      -1.95063  -0.00001   0.00522   0.00216   0.00738  -1.94325
   D423      -1.63612  -0.00001   0.00462   0.00186   0.00647  -1.62965
   D424      -1.97328  -0.00001   0.00253   0.00225   0.00478  -1.96850
   D425       1.33714  -0.00002  -0.00121   0.00035  -0.00084   1.33629
   D426       2.48693  -0.00004  -0.00230   0.00030  -0.00200   2.48493
   D427       2.95472  -0.00002   0.00016   0.00040   0.00064   2.95536
   D428      -3.07414  -0.00003  -0.00081   0.00150   0.00070  -3.07344
   D429       0.03054  -0.00003   0.00071  -0.00045   0.00026   0.03080
   D430       0.03864   0.00003  -0.00110   0.00126   0.00016   0.03880
   D431      -3.13986   0.00003   0.00042  -0.00070  -0.00028  -3.14014
   D432      -0.09096   0.00002   0.00660   0.00074   0.00733  -0.08363
   D433       2.00909   0.00003   0.00652  -0.00041   0.00611   2.01519
   D434      -2.18697   0.00004   0.00611   0.00056   0.00667  -2.18030
   D435       3.08563   0.00002   0.00516   0.00261   0.00777   3.09340
   D436      -1.09750   0.00002   0.00508   0.00146   0.00654  -1.09096
   D437       0.98962   0.00004   0.00467   0.00243   0.00711   0.99673
   D438      -2.37492   0.00002   0.00213  -0.00055   0.00157  -2.37334
   D439      -0.28448   0.00002   0.00222  -0.00074   0.00148  -0.28300
   D440       1.82270   0.00001   0.00217  -0.00077   0.00139   1.82409
   D441       0.73164   0.00002   0.00357  -0.00243   0.00113   0.73277
   D442       2.82207   0.00002   0.00366  -0.00262   0.00104   2.82311
   D443      -1.35393   0.00001   0.00361  -0.00266   0.00095  -1.35298
   D444       0.00047   0.00002  -0.00039  -0.00095  -0.00134  -0.00087
   D445       3.11279   0.00003  -0.00034  -0.00032  -0.00066   3.11213
   D446      -3.11937  -0.00001  -0.00070  -0.00095  -0.00166  -3.12103
   D447      -0.00705   0.00001  -0.00065  -0.00032  -0.00097  -0.00802
   D448       2.42544   0.00000  -0.00241   0.00068  -0.00173   2.42371
   D449      -1.77335   0.00000  -0.00259   0.00058  -0.00201  -1.77536
   D450       0.33479   0.00000  -0.00257   0.00059  -0.00198   0.33281
   D451      -0.68829  -0.00001  -0.00246   0.00008  -0.00238  -0.69067
   D452       1.39610  -0.00001  -0.00264  -0.00002  -0.00266   1.39344
   D453      -2.77895  -0.00001  -0.00262  -0.00001  -0.00263  -2.78158
   D454       2.06164   0.00000   0.00137  -0.00013   0.00125   2.06289
   D455      -2.13688  -0.00001   0.00129  -0.00020   0.00110  -2.13578
   D456      -0.04360  -0.00001   0.00145  -0.00015   0.00130  -0.04230
   D457      -1.10778   0.00001   0.00143   0.00047   0.00190  -1.10588
   D458       0.97688   0.00001   0.00135   0.00040   0.00175   0.97863
   D459       3.07015   0.00000   0.00150   0.00045   0.00196   3.07211
   D460      -3.08943   0.00000  -0.00303  -0.00132  -0.00435  -3.09377
   D461      -0.02931   0.00001  -0.00230  -0.00143  -0.00373  -0.03304
   D462       0.06591  -0.00001  -0.00353  -0.00073  -0.00425   0.06166
   D463       3.12603  -0.00001  -0.00279  -0.00085  -0.00363   3.12239
   D464       1.94351  -0.00001   0.00443   0.00174   0.00617   1.94968
   D465      -2.25678  -0.00001   0.00409   0.00128   0.00536  -2.25142
   D466      -0.16385  -0.00001   0.00418   0.00179   0.00596  -0.15789
   D467      -1.11992  -0.00001   0.00371   0.00182   0.00553  -1.11439
   D468       0.96298  -0.00001   0.00336   0.00136   0.00472   0.96770
   D469       3.05591  -0.00002   0.00345   0.00187   0.00532   3.06123
   D470      -1.65043   0.00000  -0.00543  -0.00133  -0.00675  -1.65718
   D471       0.45386   0.00000  -0.00554  -0.00145  -0.00699   0.44687
   D472       2.54611   0.00000  -0.00479  -0.00129  -0.00608   2.54004
   D473       1.41332   0.00000  -0.00470  -0.00141  -0.00611   1.40721
   D474      -2.76558   0.00001  -0.00481  -0.00153  -0.00634  -2.77192
   D475      -0.67332   0.00001  -0.00406  -0.00137  -0.00543  -0.67876
   D476      -0.00310   0.00000  -0.00061  -0.00069  -0.00132  -0.00442
   D477      -3.09330   0.00002  -0.00696   0.00239  -0.00457  -3.09787
   D478       3.11392  -0.00008  -0.00117  -0.00083  -0.00201   3.11191
   D479       0.02372  -0.00006  -0.00752   0.00225  -0.00526   0.01847
   D480      -0.33802  -0.00003  -0.02510   0.00192  -0.02325  -0.36127
   D481       1.76971  -0.00002  -0.02553   0.00170  -0.02384   1.74587
   D482      -2.42792  -0.00001  -0.02379   0.00151  -0.02228  -2.45019
   D483       2.75463  -0.00006  -0.01907  -0.00101  -0.02017   2.73446
   D484      -1.42083  -0.00005  -0.01950  -0.00123  -0.02076  -1.44159
   D485       0.66473  -0.00003  -0.01776  -0.00142  -0.01919   0.64553
   D486      -0.01355   0.00003   0.00635  -0.00179   0.00455  -0.00900
   D487       2.08076  -0.00003   0.00606  -0.00241   0.00364   2.08440
   D488      -2.11742  -0.00001   0.00646  -0.00223   0.00422  -2.11319
   D489      -3.10627   0.00006   0.00038   0.00115   0.00154  -3.10473
   D490      -1.01196  -0.00001   0.00009   0.00053   0.00063  -1.01133
   D491       1.07304   0.00001   0.00049   0.00071   0.00122   1.07426
         Item               Value     Threshold  Converged?
 Maximum Force            0.000204     0.000450     YES
 RMS     Force            0.000022     0.000300     YES
 Maximum Displacement     0.046230     0.001800     NO 
 RMS     Displacement     0.005031     0.001200     NO 
 Predicted change in Energy=-4.190806D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:01:43 2016, MaxMem=  2952790016 cpu:         7.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.832939   -0.603522    1.677957
      2          6           0       -2.088540    1.107892   -1.352538
      3          8           0       -2.639492    0.126316   -1.880939
      4          7           0       -0.795369    1.156240   -0.931936
      5          1           0       -2.636559    2.049490   -1.147852
      6          6           0       -0.253901    2.328310   -0.243282
      7          1           0       -1.010017    3.125355   -0.220268
      8          1           0        0.026111    2.058416    0.788043
      9          1           0        0.642420    2.690438   -0.772823
     10          6           0        0.115655    0.021773   -1.102744
     11          1           0        0.687869   -0.124346   -0.173247
     12          1           0       -0.465868   -0.883481   -1.321014
     13          1           0        0.821802    0.215347   -1.927050
     14          6           0       -1.986774   -4.019287    2.609210
     15          8           0       -2.104772   -3.869252    3.837447
     16          7           0       -2.933131   -3.712146    1.680816
     17          1           0       -1.056822   -4.411238    2.151454
     18          6           0       -4.233246   -3.153742    2.060771
     19          1           0       -4.503821   -2.361046    1.345186
     20          1           0       -5.013238   -3.932978    2.036774
     21          1           0       -4.167901   -2.730958    3.071626
     22          6           0       -2.690265   -3.890105    0.248946
     23          1           0       -3.401324   -4.620245   -0.171177
     24          1           0       -2.826939   -2.927986   -0.271761
     25          1           0       -1.662743   -4.245905    0.090190
     26          6           0        1.536776    0.381521    2.621484
     27          8           0        1.348455    1.397390    3.312189
     28          7           0        1.171814   -0.884480    2.962653
     29          1           0        2.023851    0.428297    1.627593
     30          6           0        1.487980   -2.030676    2.110131
     31          1           0        2.232841   -2.679342    2.601019
     32          1           0        0.576947   -2.624044    1.930241
     33          1           0        1.884529   -1.676339    1.148832
     34          6           0        0.532460   -1.170660    4.249466
     35          1           0        1.282309   -1.484863    4.995536
     36          1           0        0.017881   -0.269584    4.606387
     37          1           0       -0.194418   -1.984940    4.115354
     38          6           0       -4.613814    1.187047    2.907559
     39          8           0       -4.879911    1.822358    1.873271
     40          7           0       -3.516770    1.374774    3.691089
     41          1           0       -5.261953    0.366378    3.277019
     42          6           0       -2.504337    2.383889    3.367562
     43          1           0       -2.573653    2.641676    2.302388
     44          1           0       -2.650789    3.291870    3.975973
     45          1           0       -1.507144    1.970545    3.581723
     46          6           0       -3.259602    0.539396    4.864824
     47          1           0       -4.066666   -0.197183    4.978567
     48          1           0       -2.300071    0.009652    4.742109
     49          1           0       -3.202140    1.164106    5.771139
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489723   0.000000
     3  O    3.721416   1.243482   0.000000
     4  N    3.314341   1.360711   2.315630   0.000000
     5  H    3.958469   1.108526   2.058160   2.057790   0.000000
     6  C    3.844497   2.466935   3.636171   1.463277   2.563796
     7  H    4.264385   2.552529   3.795688   2.104747   2.159522
     8  H    3.366590   3.155524   4.238150   2.108810   3.292049
     9  H    4.794152   3.209153   4.309708   2.108629   3.362018
    10  C    3.452580   2.469924   2.864848   1.464976   3.418824
    11  H    3.164023   3.258463   3.748384   2.101310   4.089896
    12  H    3.307731   2.568973   2.461269   2.102478   3.652972
    13  H    4.551294   3.097869   3.462746   2.119145   3.991428
    14  C    3.543776   6.480260   6.146015   6.383200   7.167133
    15  O    3.924574   7.190839   6.996458   7.051037   7.756773
    16  N    3.297572   5.757372   5.244627   5.924330   6.425401
    17  H    3.914749   6.618398   6.273311   6.369651   7.424419
    18  C    3.523017   5.866172   5.369908   6.273057   6.318094
    19  H    3.214536   5.014461   4.480019   5.595462   5.399512
    20  H    4.618261   6.741785   6.120540   7.245950   7.181948
    21  H    3.452585   6.215604   5.918442   6.520183   6.557568
    22  C    3.684930   5.282688   4.546496   5.518216   6.101862
    23  H    4.691822   5.994211   5.102305   6.382596   6.784109
    24  H    3.192581   4.242832   3.457362   4.609123   5.057574
    25  H    3.977050   5.561107   4.894457   5.565991   6.489459
    26  C    3.635317   5.428018   6.146394   4.320402   5.865727
    27  O    4.098246   5.801415   6.669927   4.760958   6.016439
    28  N    3.279927   5.763707   6.245650   4.816862   6.325199
    29  H    3.992745   5.123942   5.843608   3.876736   5.661341
    30  C    3.640336   5.884911   6.133293   4.962286   6.653874
    31  H    4.657428   6.974818   7.190222   6.030216   7.754157
    32  H    3.154949   5.639929   5.695178   4.936178   6.453155
    33  H    3.905186   5.458394   5.735490   4.419836   6.292599
    34  C    3.539691   6.591197   7.023196   5.833053   7.038686
    35  H    4.635500   7.640880   8.078511   6.813743   8.098790
    36  H    3.480337   6.468634   7.021664   5.776449   6.747995
    37  H    3.245608   6.561338   6.811118   5.975223   7.066968
    38  C    3.528643   4.952949   5.287042   5.415089   4.593442
    39  O    3.899625   4.325281   4.689363   4.999638   3.769802
    40  N    3.286585   5.248737   5.777175   5.368998   4.964410
    41  H    3.905872   5.661553   5.791326   6.187855   5.413413
    42  C    3.497165   4.907178   5.715038   4.786792   4.529710
    43  H    3.386721   3.993283   4.881761   3.978651   3.501257
    44  H    4.596067   5.786097   6.657648   5.664898   5.272315
    45  H    3.218118   5.042729   5.875718   4.641425   4.863198
    46  C    3.673928   6.352177   6.786787   6.328930   6.230637
    47  H    4.006079   6.760110   7.013865   6.889643   6.680251
    48  H    3.159624   6.196418   6.632766   5.981102   6.242260
    49  H    4.664049   7.210412   7.742602   7.122066   6.998302
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098873   0.000000
     8  H    1.102217   1.796834   0.000000
     9  H    1.102243   1.795833   1.793207   0.000000
    10  C    2.489048   3.417327   2.780469   2.740092   0.000000
    11  H    2.628185   3.666822   2.475167   2.878292   1.101247
    12  H    3.394412   4.192672   3.653070   3.781760   1.097859
    13  H    2.908062   3.838856   3.376649   2.736877   1.102541
    14  C    7.171579   7.746348   6.656338   7.960604   5.876135
    15  O    7.647735   8.160151   6.998341   8.475328   6.669022
    16  N    6.882408   7.352816   6.546262   7.732916   5.566457
    17  H    7.197288   7.901106   6.699855   7.865915   5.622818
    18  C    7.155191   7.417507   6.850442   8.121319   6.245371
    19  H    6.524960   6.690135   6.353136   7.515799   5.745410
    20  H    8.188631   8.422593   7.927873   9.151499   7.197372
    21  H    7.204457   7.423287   6.763327   8.204298   6.584204
    22  C    6.696779   7.229113   6.561572   7.446767   5.000304
    23  H    7.628492   8.106483   7.567822   8.376152   5.897905
    24  H    5.852349   6.320348   5.841857   6.622251   4.248584
    25  H    6.731742   7.406613   6.563817   7.360124   4.774816
    26  C    3.899154   4.700036   2.907850   4.201463   4.002358
    27  O    4.009430   4.585466   2.925211   4.342554   4.785786
    28  N    4.757384   5.565083   3.834345   5.197507   4.297000
    29  H    3.506904   4.460164   2.711659   3.575979   3.355772
    30  C    5.251044   6.185095   4.539345   5.596008   4.051960
    31  H    6.272999   7.222901   5.531988   6.538103   5.049392
    32  H    5.471775   6.340247   4.851130   5.962764   4.051189
    33  H    4.748482   5.771403   4.187157   4.929943   3.328978
    34  C    5.748560   6.388544   4.760753   6.335893   5.499251
    35  H    6.659238   7.328948   5.642327   7.149585   6.389057
    36  H    5.508377   5.989890   4.472069   6.171521   5.717396
    37  H    6.132323   6.751144   5.241027   6.815698   5.599249
    38  C    5.499011   5.150504   5.174991   6.590401   6.309379
    39  O    5.112314   4.588767   5.030159   6.184780   6.087236
    40  N    5.199502   4.964580   4.631096   6.241501   6.164897
    41  H    6.428241   6.158078   6.084539   7.527555   6.944043
    42  C    4.255085   3.956676   3.628087   5.209495   5.694522
    43  H    3.458306   3.007107   3.064671   4.449991   5.068648
    44  H    4.947286   4.508692   4.341670   5.810164   6.643803
    45  H    4.040950   4.004479   3.187983   4.909270   5.326858
    46  C    6.190896   6.132371   5.451924   7.185806   6.875475
    47  H    6.941397   6.885510   6.276865   7.974479   7.383907
    48  H    5.866610   5.999752   5.024261   6.801422   6.324412
    49  H    6.798584   6.674493   6.004385   7.741690   7.717704
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795763   0.000000
    13  H    1.791412   1.797998   0.000000
    14  C    5.483279   5.252913   6.811599   0.000000
    15  O    6.157015   6.181468   7.647105   1.242980   0.000000
    16  N    5.424159   4.806216   6.522379   1.360824   2.315582
    17  H    5.179346   4.985211   6.447380   1.108141   2.057795
    18  C    6.195600   5.548305   7.266842   2.469127   2.863379
    19  H    5.853385   5.059336   6.760739   3.268493   3.773790
    20  H    7.203645   6.422830   8.183410   3.081334   3.421354
    21  H    6.395478   6.034360   7.652752   2.575060   2.477640
    22  C    5.076513   4.056169   5.824458   2.466259   3.636011
    23  H    6.077386   4.889011   6.655887   3.176893   4.279498
    24  H    4.497109   3.294782   5.092528   3.193244   4.277043
    25  H    4.752056   3.837956   5.490446   2.549865   3.791990
    26  C    2.964298   4.599359   4.607381   5.637612   5.727871
    27  O    3.860092   5.473637   5.396685   6.399869   6.319667
    28  N    3.262801   4.586044   5.024074   4.464148   4.517759
    29  H    2.309390   4.075996   3.758424   6.068747   6.355935
    30  C    3.080273   4.111731   4.667680   4.034548   4.389972
    31  H    4.075720   5.088270   5.556408   4.427264   4.664710
    32  H    3.268862   3.832451   4.795914   2.996726   3.518464
    33  H    2.364016   3.500447   3.764163   4.754902   5.286968
    34  C    4.547451   5.666513   6.336725   4.141456   3.795676
    35  H    5.377795   6.581534   7.143177   4.775434   4.301023
    36  H    4.828548   5.978709   6.600549   4.697620   4.249063
    37  H    4.757346   5.553467   6.510347   3.101545   2.697650
    38  C    6.270483   6.274820   7.339180   5.839201   5.720677
    39  O    6.243242   6.083485   7.038072   6.560234   6.629767
    40  N    5.904189   6.287200   7.192424   5.710276   5.432769
    41  H    6.895326   6.760656   8.007323   5.514238   5.312479
    42  C    5.386905   6.067438   6.618058   6.468666   6.283488
    43  H    4.941374   5.477091   5.941745   6.693803   6.705852
    44  H    6.327179   7.089817   7.507967   7.467394   7.183244
    45  H    4.827675   5.767715   6.233080   6.087193   5.875865
    46  C    6.434690   6.934992   7.930474   5.243041   4.671758
    47  H    7.010855   7.288447   8.470823   4.954622   4.316860
    48  H    5.753822   6.397143   7.366552   4.569439   3.987789
    49  H    7.219973   7.872638   8.738099   6.192130   5.502552
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056882   0.000000
    18  C    1.465087   3.417483   0.000000
    19  H    2.098854   4.090863   1.101654   0.000000
    20  H    2.121867   3.986868   1.102801   1.791305   0.000000
    21  H    2.102794   3.653611   1.097655   1.797297   1.797322
    22  C    1.463183   2.561104   2.491130   2.613187   2.931616
    23  H    2.115118   3.306809   2.797198   2.935786   2.818803
    24  H    2.106832   3.347435   2.733015   2.397472   3.334553
    25  H    2.104489   2.154828   3.418113   3.633103   3.887535
    26  C    6.133762   5.469754   6.790114   6.755695   7.865079
    27  O    6.862996   6.393185   7.309873   7.228006   8.397061
    28  N    5.146783   4.250045   5.931072   6.083525   6.957403
    29  H    6.458930   5.760735   7.222874   7.104272   8.289075
    30  C    4.749514   3.484939   5.830622   6.049460   6.774214
    31  H    5.347964   3.744790   6.505936   6.860105   7.375340
    32  H    3.683317   2.431501   4.841030   5.121099   5.742371
    33  H    5.257125   4.139621   6.359365   6.427938   7.311638
    34  C    5.006740   4.174784   5.606689   5.934306   6.578843
    35  H    5.806729   4.703616   6.466789   6.897250   7.374378
    36  H    5.396172   4.933050   5.733290   5.954447   6.733166
    37  H    4.051021   3.238451   4.679695   5.136755   5.597890
    38  C    5.322752   6.675678   4.438957   3.878411   5.208883
    39  O    5.870071   7.317863   5.021445   4.233342   5.759202
    40  N    5.500781   6.473002   4.866080   4.520385   5.757465
    41  H    4.960407   6.463407   3.863773   3.427183   4.481576
    42  C    6.339608   7.053224   5.946612   5.531939   6.925922
    43  H    6.394266   7.215757   6.033200   5.446927   7.017707
    44  H    7.375887   8.075114   6.907828   6.504631   7.844749
    45  H    6.159535   6.555579   6.000271   5.722312   7.037837
    46  C    5.321664   6.059983   4.738140   4.727419   5.574517
    47  H    4.951266   5.899999   4.157226   4.251455   4.848331
    48  H    4.860460   5.272706   4.575348   4.692101   5.497677
    49  H    6.370318   6.984910   5.785657   5.806043   6.573114
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390362   0.000000
    23  H    3.830511   1.102366   0.000000
    24  H    3.607664   1.102492   1.789909   0.000000
    25  H    4.178498   1.098908   1.797528   1.795348   0.000000
    26  C    6.514099   6.460929   7.563163   6.194006   6.169071
    27  O    6.894295   7.324774   8.420579   6.999106   7.162078
    28  N    5.651010   5.595859   6.685089   5.534201   5.252136
    29  H    7.099571   6.540042   7.625999   6.196963   6.148394
    30  C    5.779608   4.937532   5.984607   5.009701   4.349076
    31  H    6.418226   5.588843   6.572365   5.823750   4.892234
    32  H    4.881369   3.886430   4.922135   4.065419   3.321511
    33  H    6.437489   5.161327   6.192676   5.077661   4.506277
    34  C    5.090701   5.812530   6.849553   5.900445   5.619219
    35  H    5.912611   6.640531   7.646042   6.834687   6.352882
    36  H    5.092605   6.279293   7.310563   6.241509   6.247533
    37  H    4.175461   4.980765   5.966861   5.202527   4.844573
    38  C    3.946710   6.045307   6.683815   5.498590   6.794362
    39  O    4.761901   6.329709   6.919041   5.601931   7.096011
    40  N    4.202944   6.344321   7.132368   5.890144   6.927909
    41  H    3.291295   5.822409   6.341798   5.419960   6.662082
    42  C    5.386714   7.008804   7.898427   6.447074   7.443361
    43  H    5.656726   6.847948   7.716156   6.140972   7.291252
    44  H    6.276458   8.091542   8.964581   7.533982   8.537775
    45  H    5.426229   6.845027   7.817333   6.370778   7.131569
    46  C    3.838721   6.422690   7.211330   6.212442   6.945948
    47  H    3.172804   6.156417   6.820998   6.046499   6.787284
    48  H    3.713522   5.962288   6.840255   5.834913   6.336901
    49  H    4.836485   7.503445   8.295150   7.307711   7.994445
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242790   0.000000
    28  N    1.361011   2.315234   0.000000
    29  H    1.107813   2.057465   2.057119   0.000000
    30  C    2.466283   3.635388   1.463052   2.562528   0.000000
    31  H    3.139078   4.231743   2.116149   3.263229   1.102976
    32  H    3.229939   4.321681   2.108512   3.391447   1.102011
    33  H    2.554295   3.796748   2.103556   2.162896   1.098590
    34  C    2.463379   2.852930   1.465114   3.413960   2.495877
    35  H    3.030555   3.338475   2.122565   3.943743   2.943769
    36  H    2.582793   2.494830   2.100362   3.658438   3.390270
    37  H    3.290717   3.803379   2.099124   4.115020   2.617915
    38  C    6.209708   5.979684   6.145547   6.802397   6.944172
    39  O    6.618890   6.406529   6.718415   7.047388   7.446611
    40  N    5.260127   4.880009   5.255252   5.987680   6.256520
    41  H    6.830276   6.690419   6.561770   7.470433   7.257347
    42  C    4.571292   3.977468   4.935613   5.230327   6.083430
    43  H    4.701676   4.236848   5.186353   5.146983   6.193925
    44  H    5.276408   4.474776   5.751609   5.963824   6.995732
    45  H    3.565460   2.924996   3.963740   4.320310   5.210194
    46  C    5.297428   4.937714   5.028233   6.197329   6.060788
    47  H    6.106497   5.885831   5.654906   6.979588   6.514884
    48  H    4.399629   4.157190   4.002490   5.345257   5.043767
    49  H    5.743701   5.177719   5.587108   6.709797   6.753284
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787452   0.000000
    33  H    1.798939   1.794022   0.000000
    34  C    2.807988   2.737354   3.420194   0.000000
    35  H    2.839719   3.345340   3.898264   1.103457   0.000000
    36  H    3.838552   3.608018   4.173490   1.097325   1.796418
    37  H    2.943975   2.403784   3.635589   1.099723   1.790397
    38  C    7.868902   6.513337   7.315775   5.817528   6.801692
    39  O    8.449033   7.039249   7.650055   6.625573   7.658929
    40  N    7.119139   5.987457   6.704207   4.815318   5.736747
    41  H    8.118209   6.696953   7.731369   6.073167   7.014824
    42  C    6.976013   6.053065   6.377332   4.757595   5.652985
    43  H    7.176685   6.147567   6.312791   5.288947   6.256982
    44  H    7.835542   7.042821   7.296913   5.488355   6.271040
    45  H    6.047373   5.308585   5.542758   3.804344   4.660446
    46  C    6.756628   5.773927   6.721619   4.205080   4.974301
    47  H    7.176185   6.061772   7.229902   4.757227   5.501812
    48  H    5.688783   4.808345   5.767589   3.107904   3.889890
    49  H    7.372976   6.586658   7.436938   4.659813   5.265822
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796839   0.000000
    38  C    5.143966   5.572373   0.000000
    39  O    5.986193   6.440210   1.242650   0.000000
    40  N    4.004428   4.744018   1.361126   2.315803   0.000000
    41  H    5.481634   5.649019   1.109091   2.058238   2.057663
    42  C    3.864867   4.998159   2.468588   2.862092   1.465607
    43  H    4.527681   5.509373   2.577680   2.484803   2.103093
    44  H    4.494794   5.822191   3.070057   3.398500   2.122814
    45  H    2.897208   4.201652   3.274105   3.783692   2.098929
    46  C    3.385725   4.040957   2.466622   3.636038   1.463436
    47  H    4.102107   4.351496   2.550400   3.792463   2.105002
    48  H    2.338652   2.967322   3.178874   4.262828   2.109161
    49  H    3.712230   4.658810   3.192717   4.294367   2.114233
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418039   0.000000
    43  H    3.654291   1.098114   0.000000
    44  H    3.983116   1.102742   1.797106   0.000000
    45  H    4.094483   1.100506   1.795705   1.791440   0.000000
    46  C    2.561340   2.492865   3.384699   2.955811   2.601086
    47  H    2.154432   3.420255   4.177337   3.896587   3.633369
    48  H    3.323625   2.751019   3.599255   3.388645   2.412536
    49  H    3.331641   2.784239   3.822361   2.837955   2.883904
                   46         47         48         49
    46  C    0.000000
    47  H    1.098562   0.000000
    48  H    1.102900   1.794311   0.000000
    49  H    1.102258   1.796854   1.790361   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2138510      0.1939797      0.1842479
 Leave Link  202 at Mon Nov 14 03:01:43 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0281874231 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839548261 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8442325970 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4015
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.35D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     201
 GePol: Fraction of low-weight points (<1% of avg)   =       5.01%
 GePol: Cavity surface area                          =    467.333 Ang**2
 GePol: Cavity volume                                =    457.846 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040174126 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8402151845 Hartrees.
 Leave Link  301 at Mon Nov 14 03:01:43 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:01:44 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:01:44 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000089    0.003914   -0.001626
         Rot=    1.000000   -0.000069    0.000010   -0.000163 Ang=  -0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50891746614    
 Leave Link  401 at Mon Nov 14 03:01:51 2016, MaxMem=  2952790016 cpu:        79.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48360675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.03D-14 for   2162.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.19D-14 for   1351     27.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.77D-15 for   2034.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.91D-10 for   1988   1916.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.29D-14 for    150.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.37D-14 for   1808   1001.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.22D-15 for    304.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.01D-15 for   2418    150.
 E= -1013.45106090466    
 DIIS: error= 3.51D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45106090466     IErMin= 1 ErrMin= 3.51D-04
 ErrMax= 3.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-04 BMatP= 1.42D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.51D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.51D-05 MaxDP=2.10D-03              OVMax= 3.27D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.51D-05    CP:  1.00D+00
 E= -1013.45130548580     Delta-E=       -0.000244581136 Rises=F Damp=F
 DIIS: error= 8.41D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45130548580     IErMin= 2 ErrMin= 8.41D-05
 ErrMax= 8.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-06 BMatP= 1.42D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.333D-01 0.967D+00
 Coeff:      0.333D-01 0.967D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.78D-05 MaxDP=1.10D-03 DE=-2.45D-04 OVMax= 1.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.74D-05    CP:  1.00D+00  9.47D-01
 E= -1013.45128920689     Delta-E=        0.000016278908 Rises=F Damp=F
 DIIS: error= 2.49D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45130548580     IErMin= 2 ErrMin= 8.41D-05
 ErrMax= 2.49D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-05 BMatP= 3.92D-06
 IDIUse=3 WtCom= 3.88D-01 WtEn= 6.12D-01
 Coeff-Com:  0.298D-02 0.718D+00 0.279D+00
 Coeff-En:   0.000D+00 0.799D+00 0.201D+00
 Coeff:      0.115D-02 0.768D+00 0.231D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=7.31D-04 DE= 1.63D-05 OVMax= 1.29D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.89D-06    CP:  1.00D+00  9.69D-01  4.42D-01
 E= -1013.45130859226     Delta-E=       -0.000019385365 Rises=F Damp=F
 DIIS: error= 2.15D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45130859226     IErMin= 4 ErrMin= 2.15D-05
 ErrMax= 2.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-07 BMatP= 3.92D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.650D-04 0.265D+00 0.239D-01 0.712D+00
 Coeff:     -0.650D-04 0.265D+00 0.239D-01 0.712D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.43D-06 MaxDP=1.63D-04 DE=-1.94D-05 OVMax= 1.19D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.01D-06    CP:  1.00D+00  9.77D-01  3.33D-01  7.43D-01
 E= -1013.45130888877     Delta-E=       -0.000000296516 Rises=F Damp=F
 DIIS: error= 6.70D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45130888877     IErMin= 5 ErrMin= 6.70D-06
 ErrMax= 6.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-08 BMatP= 3.66D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-04 0.147D+00 0.754D-02 0.448D+00 0.397D+00
 Coeff:     -0.182D-04 0.147D+00 0.754D-02 0.448D+00 0.397D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.30D-07 MaxDP=2.31D-05 DE=-2.97D-07 OVMax= 2.47D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.16D-07    CP:  1.00D+00  9.77D-01  3.33D-01  7.49D-01  7.11D-01
 E= -1013.45130891198     Delta-E=       -0.000000023206 Rises=F Damp=F
 DIIS: error= 1.10D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45130891198     IErMin= 6 ErrMin= 1.10D-06
 ErrMax= 1.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.89D-10 BMatP= 2.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.148D-04 0.476D-01 0.154D-02 0.154D+00 0.189D+00 0.608D+00
 Coeff:     -0.148D-04 0.476D-01 0.154D-02 0.154D+00 0.189D+00 0.608D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.83D-08 MaxDP=4.02D-06 DE=-2.32D-08 OVMax= 5.86D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.54D-08    CP:  1.00D+00  9.77D-01  3.34D-01  7.54D-01  7.08D-01
                    CP:  8.82D-01
 E= -1013.45130891251     Delta-E=       -0.000000000531 Rises=F Damp=F
 DIIS: error= 4.73D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45130891251     IErMin= 7 ErrMin= 4.73D-07
 ErrMax= 4.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-10 BMatP= 6.89D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-04 0.126D-01 0.160D-03 0.435D-01 0.680D-01 0.348D+00
 Coeff-Com:  0.528D+00
 Coeff:     -0.117D-04 0.126D-01 0.160D-03 0.435D-01 0.680D-01 0.348D+00
 Coeff:      0.528D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.08D-08 MaxDP=1.50D-06 DE=-5.31D-10 OVMax= 2.34D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.20D-08    CP:  1.00D+00  9.77D-01  3.34D-01  7.55D-01  7.11D-01
                    CP:  8.81D-01  7.29D-01
 E= -1013.45130891260     Delta-E=       -0.000000000093 Rises=F Damp=F
 DIIS: error= 1.19D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45130891260     IErMin= 8 ErrMin= 1.19D-07
 ErrMax= 1.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.88D-12 BMatP= 1.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.517D-05 0.355D-02 0.204D-04 0.129D-01 0.235D-01 0.144D+00
 Coeff-Com:  0.283D+00 0.533D+00
 Coeff:     -0.517D-05 0.355D-02 0.204D-04 0.129D-01 0.235D-01 0.144D+00
 Coeff:      0.283D+00 0.533D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.27D-08 MaxDP=9.97D-07 DE=-9.28D-11 OVMax= 1.55D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.04D-08    CP:  1.00D+00  9.77D-01  3.34D-01  7.55D-01  7.13D-01
                    CP:  8.84D-01  7.40D-01  6.88D-01
 E= -1013.45130891259     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 1.15D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45130891260     IErMin= 9 ErrMin= 1.15D-07
 ErrMax= 1.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.56D-12 BMatP= 7.88D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.216D-05 0.565D-03-0.766D-06 0.245D-02 0.657D-02 0.528D-01
 Coeff-Com:  0.133D+00 0.453D+00 0.351D+00
 Coeff:     -0.216D-05 0.565D-03-0.766D-06 0.245D-02 0.657D-02 0.528D-01
 Coeff:      0.133D+00 0.453D+00 0.351D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.65D-09 MaxDP=5.38D-07 DE= 1.18D-11 OVMax= 8.07D-07

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45130891     A.U. after    9 cycles
            NFock=  9  Conv=0.67D-08     -V/T= 2.0213
 KE= 9.923480636728D+02 PE=-6.027203736715D+03 EE= 2.173564148946D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:03:43 2016, MaxMem=  2952790016 cpu:      1282.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 03:03:51 2016, MaxMem=  2952790016 cpu:        96.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:03:51 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:04:28 2016, MaxMem=  2952790016 cpu:       438.7
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19879005D+00-2.66521384D+00 3.28009853D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000026594    0.000264551   -0.000051408
      2        6           0.000028164    0.000002348    0.000108049
      3        8           0.000017550    0.000020683   -0.000070113
      4        7           0.000006265   -0.000023417   -0.000078511
      5        1           0.000003107    0.000010545   -0.000016970
      6        6          -0.000039737   -0.000077538    0.000096771
      7        1           0.000025046    0.000020340    0.000049036
      8        1           0.000081023    0.000118222   -0.000129704
      9        1           0.000055054    0.000062357    0.000146934
     10        6           0.000023246    0.000029246   -0.000004938
     11        1          -0.000007221    0.000013630   -0.000000207
     12        1           0.000026405    0.000024292   -0.000028969
     13        1           0.000033409    0.000029169    0.000021742
     14        6          -0.000086558    0.000033435    0.000008046
     15        8          -0.000003083   -0.000065751   -0.000034610
     16        7          -0.000004833    0.000021474   -0.000050824
     17        1           0.000016269    0.000020922   -0.000042719
     18        6          -0.000002398    0.000030564   -0.000076226
     19        1           0.000002975   -0.000003067   -0.000035356
     20        1           0.000003253   -0.000009877   -0.000048052
     21        1          -0.000016129   -0.000025542   -0.000043141
     22        6           0.000032415   -0.000004726    0.000019260
     23        1           0.000026079    0.000008026   -0.000056020
     24        1           0.000043566    0.000020932   -0.000043764
     25        1           0.000023289    0.000026528   -0.000029947
     26        6          -0.000077518    0.000022014    0.000035917
     27        8           0.000044952   -0.000059149    0.000095196
     28        7          -0.000017713    0.000044226    0.000033035
     29        1          -0.000019230   -0.000019470    0.000016043
     30        6           0.000030570   -0.000025831    0.000039035
     31        1           0.000054170    0.000029012   -0.000029145
     32        1          -0.000002334   -0.000003983    0.000013138
     33        1          -0.000043219    0.000014559    0.000000461
     34        6           0.000016243    0.000005161    0.000009915
     35        1          -0.000022965   -0.000010941    0.000013528
     36        1          -0.000055706   -0.000016155   -0.000012775
     37        1           0.000006073   -0.000030122    0.000015152
     38        6          -0.000042648   -0.000121265    0.000031578
     39        8           0.000075725   -0.000106864    0.000055104
     40        7          -0.000065169   -0.000112764   -0.000020821
     41        1          -0.000005557    0.000010117   -0.000018529
     42        6          -0.000106953   -0.000080098    0.000058874
     43        1          -0.000000887   -0.000035013    0.000044570
     44        1           0.000040588   -0.000002832    0.000004142
     45        1          -0.000038652    0.000001608    0.000034202
     46        6          -0.000002280    0.000039027    0.000001098
     47        1          -0.000045292   -0.000033346   -0.000004270
     48        1          -0.000021762   -0.000014978   -0.000021338
     49        1          -0.000014185   -0.000040258   -0.000002471
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000264551 RMS     0.000050216
 Leave Link  716 at Mon Nov 14 03:04:28 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000116354 RMS     0.000014273
 Search for a local minimum.
 Step number  64 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .14273D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   42   43   44   45   46
                                                     47   48   49   51   53
                                                     55   56   57   59   60
                                                     61   62   63   64
 DE= -1.62D-05 DEPred=-4.19D-06 R= 3.88D+00
 TightC=F SS=  1.41D+00  RLast= 1.89D-01 DXNew= 1.4028D-01 5.6666D-01
 Trust test= 3.88D+00 RLast= 1.89D-01 DXMaxT set to 1.40D-01
 ITU=  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0
 ITU=  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  0
     Eigenvalues ---    0.00000   0.00001   0.00005   0.00040   0.00126
     Eigenvalues ---    0.00174   0.00225   0.00305   0.00385   0.00418
     Eigenvalues ---    0.00462   0.00544   0.00605   0.00677   0.00708
     Eigenvalues ---    0.00753   0.00811   0.00857   0.01010   0.01028
     Eigenvalues ---    0.01139   0.01160   0.01172   0.01243   0.01274
     Eigenvalues ---    0.01408   0.01442   0.01498   0.01562   0.01619
     Eigenvalues ---    0.01680   0.01720   0.01801   0.01884   0.01887
     Eigenvalues ---    0.01952   0.02026   0.02106   0.02139   0.02256
     Eigenvalues ---    0.02335   0.02567   0.02704   0.02906   0.03082
     Eigenvalues ---    0.03108   0.03789   0.03899   0.04276   0.04533
     Eigenvalues ---    0.04653   0.05232   0.05482   0.05891   0.06052
     Eigenvalues ---    0.06173   0.06340   0.06372   0.06625   0.06891
     Eigenvalues ---    0.07151   0.07263   0.07691   0.07965   0.08068
     Eigenvalues ---    0.08101   0.08195   0.08295   0.08460   0.08575
     Eigenvalues ---    0.08654   0.08778   0.08970   0.09148   0.09454
     Eigenvalues ---    0.09676   0.09763   0.09842   0.10119   0.10228
     Eigenvalues ---    0.10402   0.10476   0.10515   0.10875   0.11196
     Eigenvalues ---    0.11246   0.11347   0.11639   0.13013   0.13305
     Eigenvalues ---    0.13918   0.14304   0.14800   0.15030   0.15238
     Eigenvalues ---    0.15503   0.15709   0.21588   0.22282   0.23528
     Eigenvalues ---    0.23745   0.24623   0.24773   0.25659   0.26928
     Eigenvalues ---    0.27230   0.27818   0.28681   0.29216   0.29667
     Eigenvalues ---    0.30211   0.32018   0.32806   0.32818   0.32829
     Eigenvalues ---    0.32905   0.33307   0.33355   0.33373   0.33385
     Eigenvalues ---    0.33413   0.33425   0.33439   0.33559   0.33697
     Eigenvalues ---    0.33792   0.33813   0.33838   0.33920   0.33940
     Eigenvalues ---    0.34031   0.34102   0.35810   0.37296   0.39010
     Eigenvalues ---    0.40953   0.46104   0.85886   0.86036   0.86979
     Eigenvalues ---    0.89537
 Eigenvalue     1 is   1.64D-07 Eigenvector:
                         D375      D381      D383      D373      D389
   1                   -0.20526  -0.20356  -0.20197  -0.19870  -0.19635
                         D369      D371      D397      D395      D379
   1                   -0.19411  -0.19326  -0.19081  -0.18897  -0.18890
 Eigenvalue     2 is   1.45D-05 Eigenvector:
                         D408      D411      D409      D410      D412
   1                   -0.12773  -0.12500  -0.12430  -0.12421  -0.12058
                         D413      D407      D414      D416      D415
   1                   -0.11368   0.11331  -0.11153  -0.11037  -0.10983
 Eigenvalue     3 is   5.42D-05 Eigenvector:
                          R21      D480      D482      D481      D433
   1                   -0.20749   0.18813   0.18480   0.17404   0.14018
                         D432      D434       D82       D80      D412
   1                    0.13412   0.13169   0.13067   0.11966  -0.11831
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    64   63   62   61   60
 RFO step:  Lambda=-8.57740576D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.32D-05 SmlDif=  1.00D-05
 RMS Error=  0.2126202350D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    0.99261    0.47092    0.48390   -1.31877    0.37134
 Iteration  1 RMS(Cart)=  0.00086300 RMS(Int)=  0.00002449
 Iteration  2 RMS(Cart)=  0.00000127 RMS(Int)=  0.00002348
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002348
 ITry= 1 IFail=0 DXMaxC= 9.82D-03 DCOld= 1.00D+10 DXMaxT= 1.40D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59462   0.00001  -0.00129   0.00021  -0.00109   6.59353
    R2        6.26320   0.00000   0.00076   0.00076   0.00152   6.26472
    R3        7.26505  -0.00004   0.00049  -0.00318  -0.00268   7.26237
    R4        6.36193   0.00009   0.00018  -0.00561  -0.00544   6.35649
    R5        6.52443   0.00005   0.00062  -0.00004   0.00058   6.52501
    R6        5.97914   0.00000  -0.00225   0.00100  -0.00126   5.97788
    R7        6.69677   0.00000   0.00142  -0.00046   0.00096   6.69773
    R8        6.23151  -0.00001  -0.00016  -0.00058  -0.00075   6.23076
    R9        6.65754   0.00001   0.00092  -0.00148  -0.00057   6.65697
   R10        6.07459   0.00000   0.00096  -0.00135  -0.00039   6.07420
   R11        6.96351  -0.00003  -0.00199   0.00158  -0.00042   6.96309
   R12        6.03310  -0.00001  -0.00235   0.00208  -0.00027   6.03283
   R13        6.86975  -0.00005   0.00148  -0.00132   0.00016   6.86991
   R14        6.19816   0.00000  -0.00179   0.00224   0.00046   6.19862
   R15        6.87924   0.00000  -0.00403   0.00496   0.00094   6.88018
   R16        5.96199   0.00001  -0.00032   0.00086   0.00054   5.96253
   R17        6.68905   0.00005  -0.00170   0.00312   0.00142   6.69047
   R18        6.66817  -0.00007   0.00916  -0.00953  -0.00036   6.66781
   R19        6.21075  -0.00002  -0.00068  -0.00164  -0.00226   6.20849
   R20        6.60868  -0.00005   0.00331  -0.00210   0.00125   6.60993
   R21        6.08136   0.00001  -0.00676   0.00896   0.00207   6.08343
   R22        6.94272   0.00003  -0.00714   0.00478  -0.00230   6.94041
   R23        5.97082   0.00000  -0.00471   0.00228  -0.00242   5.96840
   R24        2.34984   0.00004   0.00008  -0.00011  -0.00003   2.34981
   R25        2.57137   0.00000  -0.00001   0.00007   0.00006   2.57143
   R26        2.09481  -0.00001   0.00005  -0.00008  -0.00004   2.09477
   R27        2.76519   0.00006   0.00021  -0.00027  -0.00006   2.76513
   R28        2.76840  -0.00001   0.00002   0.00007   0.00009   2.76849
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   R31        2.08294   0.00000  -0.00002  -0.00009  -0.00011   2.08283
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   R40        2.08182  -0.00002   0.00006  -0.00027  -0.00021   2.08161
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   R47        2.57194  -0.00005   0.00012  -0.00040  -0.00030   2.57164
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   R50        2.76866  -0.00002   0.00015  -0.00025  -0.00010   2.76856
   R51        2.08432   0.00000   0.00001   0.00001   0.00002   2.08435
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   R53        2.07603  -0.00001  -0.00004   0.00001  -0.00002   2.07601
   R54        2.08523   0.00000  -0.00004   0.00006   0.00002   2.08525
   R55        2.07364   0.00001   0.00008  -0.00011  -0.00003   2.07361
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   R61        2.76549  -0.00005  -0.00019   0.00042   0.00023   2.76572
   R62        2.07513  -0.00003  -0.00013   0.00003  -0.00010   2.07504
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   R65        2.07598   0.00002   0.00001   0.00007   0.00008   2.07606
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   A17        1.77134   0.00002  -0.00164   0.00261   0.00096   1.77230
   A18        1.55736   0.00002   0.00022   0.00062   0.00082   1.55818
   A19        1.70003   0.00001   0.00005   0.00028   0.00034   1.70037
   A20        2.18007   0.00001  -0.00110   0.00224   0.00114   2.18122
   A21        2.39818   0.00000  -0.00062   0.00157   0.00095   2.39914
   A22        0.64209   0.00000  -0.00003   0.00038   0.00035   0.64244
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   A25        2.22139  -0.00001  -0.00117   0.00058  -0.00059   2.22080
   A26        2.32293  -0.00001  -0.00217   0.00169  -0.00049   2.32244
   A27        2.05883  -0.00001  -0.00236   0.00199  -0.00038   2.05845
   A28        1.81421  -0.00001  -0.00128   0.00069  -0.00059   1.81362
   A29        1.57394  -0.00001  -0.00158   0.00095  -0.00065   1.57330
   A30        1.33905   0.00000   0.00094  -0.00107  -0.00013   1.33893
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   A33        1.73542  -0.00001   0.00125  -0.00148  -0.00023   1.73519
   A34        2.03526  -0.00001   0.00090  -0.00117  -0.00027   2.03499
   A35        1.82522   0.00003  -0.00356   0.00427   0.00070   1.82592
   A36        1.89983   0.00002  -0.00206   0.00286   0.00079   1.90062
   A37        1.55778   0.00002  -0.00070   0.00141   0.00069   1.55847
   A38        1.58025   0.00001  -0.00075   0.00095   0.00021   1.58046
   A39        2.26458   0.00001  -0.00063   0.00150   0.00087   2.26545
   A40        2.35591   0.00000  -0.00019   0.00055   0.00036   2.35627
   A41        0.68817   0.00000  -0.00012   0.00039   0.00028   0.68844
   A42        0.74497   0.00000  -0.00011   0.00047   0.00036   0.74533
   A43        2.65560   0.00001   0.00042  -0.00060  -0.00018   2.65542
   A44        2.59900   0.00000  -0.00115   0.00083  -0.00033   2.59868
   A45        2.65981   0.00000  -0.00192   0.00170  -0.00022   2.65959
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   A51        1.55441  -0.00002   0.00033  -0.00024   0.00009   1.55449
   A52        1.78710  -0.00001   0.00119  -0.00109   0.00009   1.78720
   A53        1.78316  -0.00002   0.00087  -0.00102  -0.00015   1.78300
   A54        1.68188   0.00003  -0.00392   0.00403   0.00010   1.68198
   A55        1.62833   0.00002  -0.00213   0.00235   0.00021   1.62853
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   A81        2.07668  -0.00001  -0.00249   0.00195  -0.00054   2.07614
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   A89        2.25691   0.00002  -0.00349   0.00419   0.00071   2.25762
   A90        2.30969   0.00002  -0.00222   0.00282   0.00059   2.31028
   A91        1.92065   0.00001  -0.00131   0.00178   0.00046   1.92111
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   A169       1.19988   0.00000  -0.00141   0.00085  -0.00055   1.19933
   A170       1.86952   0.00001  -0.00072   0.00040  -0.00031   1.86921
   A171       1.98708  -0.00001   0.00449  -0.00346   0.00106   1.98814
   A172       2.28524  -0.00001   0.00344  -0.00261   0.00085   2.28609
   A173       2.70120  -0.00001   0.00375  -0.00291   0.00085   2.70205
   A174       2.12175   0.00000   0.00157  -0.00117   0.00041   2.12216
   A175       2.11154   0.00000   0.00145  -0.00111   0.00034   2.11187
   A176       2.27102   0.00000  -0.00165   0.00065  -0.00100   2.27002
   A177       2.05111   0.00000  -0.00146   0.00069  -0.00076   2.05035
   A178       1.64195   0.00000  -0.00182   0.00108  -0.00072   1.64123
   A179       1.39018   0.00000  -0.00140   0.00082  -0.00057   1.38962
   A180       2.13538   0.00001  -0.00088   0.00050  -0.00038   2.13500
   A181       1.91442   0.00000   0.00397  -0.00270   0.00130   1.91572
   A182       2.28209   0.00000   0.00325  -0.00204   0.00124   2.28333
   A183       2.60067   0.00000   0.00359  -0.00250   0.00111   2.60178
   A184       2.25924   0.00001   0.00173  -0.00084   0.00089   2.26013
   A185       2.32886   0.00001   0.00177  -0.00099   0.00078   2.32964
   A186       0.69166  -0.00001   0.00019  -0.00031  -0.00012   0.69154
   A187       0.98213   0.00000   0.00042  -0.00058  -0.00017   0.98195
   A188       0.70043  -0.00001  -0.00001  -0.00011  -0.00012   0.70031
   A189       2.09736   0.00001  -0.00246   0.00215  -0.00030   2.09706
   A190       1.72422   0.00000  -0.00139   0.00111  -0.00028   1.72394
   A191       1.39092   0.00000  -0.00236   0.00224  -0.00012   1.39080
   A192       1.08816   0.00000  -0.00221   0.00212  -0.00010   1.08805
   A193       1.62134   0.00000   0.00031  -0.00067  -0.00036   1.62098
   A194       1.40276   0.00000  -0.00008  -0.00056  -0.00064   1.40212
   A195       0.66658   0.00000   0.00016  -0.00028  -0.00013   0.66645
   A196       2.25100  -0.00001  -0.00088   0.00034  -0.00053   2.25047
   A197       1.85563   0.00000  -0.00048  -0.00006  -0.00054   1.85509
   A198       1.63065   0.00000  -0.00204   0.00170  -0.00034   1.63031
   A199       1.31198   0.00000  -0.00176   0.00159  -0.00020   1.31178
   A200       1.61344  -0.00001   0.00085  -0.00151  -0.00066   1.61278
   A201       1.34099   0.00000   0.00043  -0.00129  -0.00086   1.34013
   A202       0.70952   0.00000   0.00042  -0.00059  -0.00017   0.70935
   A203       2.63935  -0.00001   0.00032  -0.00105  -0.00067   2.63868
   A204       2.25318   0.00000   0.00016  -0.00086  -0.00068   2.25250
   A205       2.04056   0.00000  -0.00180   0.00142  -0.00039   2.04017
   A206       1.72237   0.00000  -0.00153   0.00128  -0.00027   1.72210
   A207       1.95328   0.00000   0.00138  -0.00224  -0.00087   1.95241
   A208       1.66677   0.00001   0.00096  -0.00197  -0.00101   1.66575
   A209       0.83505   0.00000  -0.00037   0.00019  -0.00019   0.83486
   A210       2.68848  -0.00002   0.00147  -0.00215  -0.00065   2.68783
   A211       2.38599  -0.00001   0.00008  -0.00091  -0.00082   2.38517
   A212       2.28510   0.00000  -0.00190   0.00138  -0.00054   2.28456
   A213       1.96885   0.00000  -0.00159   0.00129  -0.00034   1.96851
   A214       2.01140   0.00000   0.00045  -0.00142  -0.00099   2.01041
   A215       1.73115   0.00000   0.00010  -0.00114  -0.00104   1.73011
   A216       1.93349  -0.00001   0.00037  -0.00089  -0.00051   1.93297
   A217       1.56462  -0.00001   0.00023  -0.00082  -0.00059   1.56403
   A218       1.48486  -0.00001  -0.00137   0.00091  -0.00047   1.48440
   A219       1.19258  -0.00001  -0.00094   0.00078  -0.00019   1.19239
   A220       1.24419   0.00000   0.00094  -0.00162  -0.00069   1.24351
   A221       0.95864   0.00000   0.00050  -0.00133  -0.00083   0.95781
   A222       0.71799   0.00001  -0.00056   0.00041  -0.00017   0.71782
   A223       1.00955   0.00000  -0.00030   0.00011  -0.00019   1.00936
   A224       0.69796  -0.00001  -0.00002   0.00026   0.00023   0.69819
   A225       0.98493  -0.00002   0.00031   0.00003   0.00033   0.98526
   A226       0.65679   0.00001   0.00053  -0.00058  -0.00005   0.65674
   A227       0.66554  -0.00001   0.00033  -0.00014   0.00018   0.66573
   A228       0.70844  -0.00001   0.00033  -0.00018   0.00014   0.70858
   A229       0.84638  -0.00001  -0.00048   0.00052   0.00003   0.84641
   A230       0.76314  -0.00001   0.00154  -0.00126   0.00026   0.76341
   A231       0.77566  -0.00001   0.00060  -0.00040   0.00016   0.77581
   A232       1.58514   0.00005   0.00088  -0.00239  -0.00151   1.58363
   A233       1.86756   0.00000  -0.00143   0.00250   0.00107   1.86863
   A234       2.19011   0.00001  -0.00006   0.00011   0.00005   2.19016
   A235       2.12932  -0.00002   0.00023  -0.00067  -0.00045   2.12887
   A236       1.96338   0.00000  -0.00016   0.00055   0.00040   1.96378
   A237       2.12422   0.00001   0.00036  -0.00085  -0.00050   2.12372
   A238       2.12639   0.00001   0.00001  -0.00004  -0.00002   2.12637
   A239       2.03201  -0.00001  -0.00042   0.00082   0.00040   2.03242
   A240       1.83388  -0.00001  -0.00017   0.00231   0.00214   1.83602
   A241       2.54033   0.00001   0.00033  -0.00243  -0.00210   2.53823
   A242       1.91370  -0.00001   0.00007   0.00011   0.00017   1.91387
   A243       1.91583   0.00005  -0.00012   0.00113   0.00102   1.91685
   A244       1.91555   0.00000  -0.00015   0.00060   0.00046   1.91601
   A245       1.91008   0.00000  -0.00002  -0.00068  -0.00070   1.90938
   A246       1.90848   0.00000  -0.00016   0.00001  -0.00015   1.90832
   A247       1.90010  -0.00004   0.00038  -0.00119  -0.00081   1.89929
   A248       1.27849   0.00003   0.00122  -0.00074   0.00047   1.27896
   A249       1.90442  -0.00002  -0.00042   0.00060   0.00017   1.90459
   A250       1.90956   0.00000   0.00018  -0.00041  -0.00024   1.90932
   A251       1.92783   0.00002   0.00014  -0.00013   0.00001   1.92784
   A252       1.91095   0.00001   0.00013  -0.00017  -0.00003   1.91092
   A253       1.89815   0.00000  -0.00011   0.00012   0.00001   1.89816
   A254       1.91280  -0.00002   0.00008   0.00000   0.00008   1.91289
   A255       1.71878   0.00004   0.00158  -0.00140   0.00018   1.71896
   A256       1.76801  -0.00002  -0.00126   0.00180   0.00054   1.76856
   A257       2.19060   0.00002   0.00004   0.00005   0.00010   2.19070
   A258       2.13004   0.00000  -0.00011   0.00012   0.00001   2.13005
   A259       1.96234  -0.00002   0.00006  -0.00017  -0.00011   1.96223
   A260       2.12494   0.00000  -0.00010   0.00011   0.00001   2.12495
   A261       2.12322   0.00000   0.00006  -0.00009  -0.00002   2.12320
   A262       2.03470   0.00001   0.00005  -0.00001   0.00004   2.03473
   A263       1.34969   0.00001   0.00005   0.00019   0.00024   1.34993
   A264       1.90048   0.00000  -0.00020   0.00034   0.00014   1.90062
   A265       1.93124   0.00001   0.00019  -0.00028  -0.00009   1.93115
   A266       1.91008   0.00000   0.00004   0.00001   0.00006   1.91013
   A267       1.89714   0.00000   0.00009  -0.00012  -0.00003   1.89712
   A268       1.91310   0.00000  -0.00010   0.00010   0.00001   1.91311
   A269       1.91166  -0.00001  -0.00003  -0.00006  -0.00009   1.91158
   A270       2.66509   0.00000   0.00063  -0.00089  -0.00026   2.66483
   A271       1.69840  -0.00001  -0.00068   0.00089   0.00021   1.69861
   A272       1.92458  -0.00001   0.00017  -0.00022  -0.00005   1.92453
   A273       1.91291   0.00001   0.00003  -0.00002   0.00002   1.91293
   A274       1.91342   0.00001  -0.00003   0.00007   0.00004   1.91346
   A275       1.89446   0.00000   0.00002  -0.00015  -0.00013   1.89434
   A276       1.91094   0.00000  -0.00006   0.00013   0.00007   1.91101
   A277       1.90735  -0.00002  -0.00013   0.00018   0.00004   1.90739
   A278       1.79802   0.00004   0.00286  -0.00274   0.00011   1.79813
   A279       1.75802  -0.00003  -0.00196   0.00210   0.00014   1.75817
   A280       2.19001   0.00001  -0.00029   0.00024  -0.00006   2.18996
   A281       2.13025   0.00001   0.00033  -0.00023   0.00010   2.13035
   A282       1.96283  -0.00001  -0.00004  -0.00001  -0.00004   1.96280
   A283       2.12318  -0.00002   0.00001  -0.00003  -0.00002   2.12316
   A284       2.11634   0.00000  -0.00021   0.00025   0.00005   2.11638
   A285       2.04100   0.00003   0.00017  -0.00024  -0.00007   2.04093
   A286       2.68933   0.00005   0.00437  -0.00477  -0.00040   2.68893
   A287       1.66992  -0.00004  -0.00412   0.00447   0.00035   1.67027
   A288       1.92553   0.00001   0.00018  -0.00031  -0.00012   1.92541
   A289       1.91590  -0.00001  -0.00005  -0.00020  -0.00026   1.91564
   A290       1.91261   0.00000  -0.00023   0.00042   0.00020   1.91281
   A291       1.89049   0.00002   0.00036  -0.00037  -0.00001   1.89048
   A292       1.91278  -0.00001  -0.00020   0.00027   0.00007   1.91285
   A293       1.90629   0.00000  -0.00005   0.00017   0.00013   1.90642
   A294       1.36061  -0.00002  -0.00326   0.00436   0.00110   1.36172
   A295       1.14653   0.00002   0.00241  -0.00305  -0.00065   1.14589
   A296       1.93148   0.00001   0.00038  -0.00043  -0.00005   1.93143
   A297       1.90702  -0.00001  -0.00013   0.00008  -0.00005   1.90697
   A298       1.90282   0.00000  -0.00049   0.00060   0.00012   1.90293
   A299       1.90982   0.00001  -0.00013   0.00019   0.00005   1.90987
   A300       1.89734  -0.00001   0.00043  -0.00049  -0.00006   1.89728
   A301       1.91530   0.00000  -0.00006   0.00005  -0.00001   1.91529
   A302       1.70939  -0.00007   0.00475  -0.00373   0.00100   1.71039
   A303       1.77333   0.00003  -0.00147   0.00112  -0.00035   1.77298
   A304       2.19100  -0.00004   0.00034  -0.00037   0.00000   2.19100
   A305       2.12990   0.00002  -0.00027   0.00047   0.00019   2.13009
   A306       1.96200   0.00002  -0.00006  -0.00011  -0.00018   1.96181
   A307       2.12311   0.00002   0.00042  -0.00075  -0.00038   2.12273
   A308       2.12304   0.00000  -0.00032   0.00059   0.00031   2.12335
   A309       2.03610  -0.00002   0.00006   0.00011   0.00016   2.03626
   A310       1.31193  -0.00003   0.00656  -0.00534   0.00116   1.31308
   A311       3.04586   0.00001  -0.00670   0.00588  -0.00083   3.04503
   A312       1.90938  -0.00001  -0.00075   0.00132   0.00058   1.90997
   A313       1.93199  -0.00001  -0.00110   0.00138   0.00072   1.93271
   A314       1.90115   0.00002   0.00021  -0.00020   0.00007   1.90122
   A315       1.91081   0.00002   0.00075  -0.00075  -0.00021   1.91060
   A316       1.91148  -0.00001   0.00052  -0.00076  -0.00032   1.91116
   A317       1.89888  -0.00002   0.00039  -0.00101  -0.00085   1.89803
   A318       1.73809   0.00001  -0.00456   0.00348  -0.00108   1.73700
   A319       1.91419  -0.00002  -0.00019   0.00019   0.00001   1.91419
   A320       1.91541  -0.00002   0.00055  -0.00111  -0.00056   1.91485
   A321       1.92315   0.00002   0.00012   0.00020   0.00031   1.92346
   A322       1.90564   0.00001  -0.00008  -0.00011  -0.00020   1.90544
   A323       1.91046   0.00000  -0.00013   0.00047   0.00033   1.91080
   A324       1.89479   0.00001  -0.00027   0.00037   0.00011   1.89490
   A325       2.93762  -0.00001  -0.00200   0.00155  -0.00045   2.93717
   A326       3.35452   0.00001  -0.00080   0.00079  -0.00001   3.35451
   A327       3.07347   0.00000  -0.00098   0.00090  -0.00007   3.07340
   A328       3.19129   0.00002   0.00130  -0.00074   0.00056   3.19185
   A329       3.26136   0.00000   0.00002   0.00013   0.00015   3.26151
   A330       3.27043  -0.00001  -0.00339   0.00455   0.00116   3.27159
   A331       3.64855   0.00001  -0.00469   0.00394  -0.00075   3.64780
   A332       3.21387   0.00000  -0.00112   0.00200   0.00088   3.21476
   A333       2.99191   0.00000   0.00349  -0.00247   0.00103   2.99294
   A334       2.92599   0.00000   0.00404  -0.00294   0.00110   2.92709
   A335       3.22771   0.00001   0.00098  -0.00027   0.00071   3.22842
   A336       3.07853   0.00000   0.00016  -0.00004   0.00012   3.07865
   A337       3.10004   0.00001   0.00143  -0.00161  -0.00019   3.09986
   A338       3.03857   0.00000  -0.00075   0.00055  -0.00021   3.03836
    D1        2.75838   0.00000  -0.00076   0.00175   0.00099   2.75937
    D2       -1.36131   0.00000  -0.00051   0.00068   0.00018  -1.36113
    D3        2.78291  -0.00001  -0.00087   0.00299   0.00212   2.78503
    D4       -1.33678  -0.00001  -0.00062   0.00192   0.00131  -1.33547
    D5        1.66343   0.00000  -0.00044   0.00109   0.00064   1.66407
    D6       -2.45626   0.00000  -0.00019   0.00002  -0.00017  -2.45644
    D7        1.84602   0.00000  -0.00057   0.00101   0.00044   1.84646
    D8       -2.27367   0.00000  -0.00032  -0.00005  -0.00037  -2.27404
    D9        0.32655  -0.00001  -0.00177   0.00275   0.00098   0.32753
   D10        2.49004  -0.00001  -0.00152   0.00168   0.00017   2.49021
   D11        0.03885  -0.00001  -0.00027   0.00147   0.00120   0.04005
   D12        2.20235  -0.00001  -0.00002   0.00040   0.00038   2.20273
   D13       -0.43096   0.00000   0.00025   0.00099   0.00124  -0.42972
   D14        1.73253   0.00000   0.00050  -0.00007   0.00043   1.73296
   D15       -0.55220   0.00000   0.00078   0.00037   0.00115  -0.55105
   D16        1.61129   0.00000   0.00104  -0.00070   0.00034   1.61163
   D17        0.21659   0.00000   0.00077   0.00046   0.00122   0.21781
   D18        2.38008   0.00000   0.00102  -0.00061   0.00041   2.38049
   D19        0.15068   0.00000   0.00131  -0.00002   0.00129   0.15196
   D20        2.31417   0.00000   0.00156  -0.00108   0.00048   2.31464
   D21        2.40725   0.00000  -0.00055   0.00081   0.00026   2.40750
   D22       -1.71245   0.00000  -0.00030  -0.00026  -0.00055  -1.71300
   D23        2.16251   0.00000  -0.00079   0.00103   0.00024   2.16275
   D24       -1.95718   0.00000  -0.00054  -0.00003  -0.00057  -1.95775
   D25        1.72156   0.00000  -0.00112   0.00149   0.00038   1.72194
   D26       -2.39814   0.00000  -0.00087   0.00043  -0.00043  -2.39857
   D27        1.41493   0.00000  -0.00135   0.00180   0.00046   1.41539
   D28       -2.70476   0.00000  -0.00110   0.00073  -0.00035  -2.70512
   D29        2.37061  -0.00001  -0.00089   0.00089  -0.00001   2.37060
   D30       -1.74908  -0.00001  -0.00064  -0.00018  -0.00082  -1.74990
   D31       -1.77168   0.00001  -0.00348   0.00359   0.00010  -1.77158
   D32        0.39181   0.00001  -0.00323   0.00252  -0.00071   0.39110
   D33       -2.11294   0.00001  -0.00210   0.00225   0.00015  -2.11279
   D34        0.05056   0.00001  -0.00184   0.00118  -0.00066   0.04989
   D35       -2.48964   0.00000  -0.00295   0.00323   0.00027  -2.48937
   D36       -0.32615   0.00000  -0.00270   0.00217  -0.00054  -0.32669
   D37       -2.77532   0.00000  -0.00273   0.00293   0.00019  -2.77513
   D38       -0.61182   0.00000  -0.00248   0.00186  -0.00062  -0.61245
   D39       -2.12841   0.00000   0.00025  -0.00017   0.00008  -2.12833
   D40        0.03508   0.00000   0.00050  -0.00123  -0.00073   0.03435
   D41       -2.37881   0.00000   0.00033  -0.00103  -0.00069  -2.37950
   D42       -0.21531   0.00000   0.00058  -0.00210  -0.00150  -0.21681
   D43        1.25989   0.00001   0.00027  -0.00135  -0.00108   1.25882
   D44       -1.92322   0.00000   0.00051  -0.00598  -0.00546  -1.92868
   D45        2.45606  -0.00001   0.00038  -0.00170  -0.00132   2.45474
   D46       -0.72705  -0.00002   0.00062  -0.00633  -0.00571  -0.73276
   D47        2.94319  -0.00001   0.00035  -0.00198  -0.00164   2.94155
   D48       -0.23992  -0.00002   0.00059  -0.00661  -0.00602  -0.24595
   D49        2.86446   0.00001  -0.00112  -0.00046  -0.00158   2.86288
   D50       -0.31865   0.00000  -0.00088  -0.00508  -0.00597  -0.32462
   D51        2.05359   0.00000   0.00001  -0.00099  -0.00099   2.05261
   D52       -1.12952  -0.00001   0.00025  -0.00561  -0.00537  -1.13489
   D53        1.16531   0.00000   0.00252  -0.00309  -0.00056   1.16475
   D54       -2.01780  -0.00001   0.00276  -0.00771  -0.00495  -2.02275
   D55        1.02164   0.00000   0.00285  -0.00368  -0.00082   1.02082
   D56       -2.16147  -0.00001   0.00309  -0.00830  -0.00521  -2.16668
   D57        2.02371   0.00001   0.00154  -0.00249  -0.00095   2.02276
   D58       -1.15940   0.00000   0.00178  -0.00711  -0.00534  -1.16474
   D59        1.82912   0.00001   0.00196  -0.00287  -0.00091   1.82820
   D60       -1.35399   0.00000   0.00220  -0.00749  -0.00530  -1.35929
   D61       -2.27349   0.00000   0.00075  -0.00266  -0.00191  -2.27540
   D62        0.82658   0.00000   0.00098  -0.00728  -0.00630   0.82028
   D63       -2.41081   0.00001   0.00050  -0.00227  -0.00177  -2.41258
   D64        0.68926   0.00000   0.00074  -0.00690  -0.00616   0.68310
   D65       -2.81311   0.00000   0.00011  -0.00178  -0.00166  -2.81477
   D66        0.28697  -0.00001   0.00035  -0.00640  -0.00605   0.28092
   D67       -2.99244   0.00001   0.00061  -0.00218  -0.00156  -2.99400
   D68        0.10764   0.00000   0.00084  -0.00681  -0.00595   0.10168
   D69       -2.13657   0.00000   0.00043  -0.00220  -0.00177  -2.13834
   D70        0.96350   0.00000   0.00067  -0.00682  -0.00615   0.95735
   D71       -0.16597   0.00000  -0.00010  -0.00221  -0.00231  -0.16828
   D72        2.93411  -0.00001   0.00014  -0.00683  -0.00670   2.92741
   D73       -0.55969   0.00000   0.00025  -0.00259  -0.00233  -0.56202
   D74        2.54038  -0.00001   0.00049  -0.00722  -0.00672   2.53366
   D75       -0.73531   0.00001  -0.00174  -0.00043  -0.00216  -0.73747
   D76        2.36477   0.00000  -0.00151  -0.00505  -0.00655   2.35822
   D77       -1.07367   0.00001  -0.00159  -0.00037  -0.00197  -1.07564
   D78        2.02640   0.00000  -0.00136  -0.00499  -0.00636   2.02004
   D79       -0.83824   0.00000   0.00168  -0.00421  -0.00252  -0.84076
   D80        2.26184  -0.00001   0.00191  -0.00883  -0.00691   2.25492
   D81       -1.14482   0.00000   0.00130  -0.00403  -0.00273  -1.14755
   D82        1.95525  -0.00001   0.00153  -0.00866  -0.00712   1.94814
   D83       -1.53577   0.00001   0.00044   0.00021   0.00065  -1.53513
   D84       -2.61060  -0.00001   0.00023   0.00042   0.00065  -2.60995
   D85       -2.94806   0.00000   0.00011   0.00165   0.00176  -2.94629
   D86        0.73587  -0.00001  -0.00063   0.00118   0.00056   0.73643
   D87        0.31249  -0.00001  -0.00031   0.00107   0.00076   0.31325
   D88       -0.06134  -0.00001  -0.00086   0.00171   0.00084  -0.06049
   D89       -0.39891   0.00000   0.00003   0.00089   0.00092  -0.39800
   D90        0.18320   0.00000   0.00078   0.00008   0.00085   0.18405
   D91       -0.05452   0.00000   0.00101  -0.00017   0.00083  -0.05369
   D92        2.40576   0.00000  -0.00016   0.00051   0.00034   2.40611
   D93        2.05608   0.00001  -0.00010   0.00046   0.00036   2.05644
   D94        1.66362   0.00001  -0.00025   0.00064   0.00040   1.66402
   D95        1.37557   0.00001  -0.00020   0.00063   0.00045   1.37602
   D96        2.05683   0.00001  -0.00028   0.00063   0.00035   2.05718
   D97       -1.91902   0.00001  -0.00242   0.00216  -0.00031  -1.91933
   D98       -2.44028   0.00000  -0.00026  -0.00037  -0.00063  -2.44091
   D99       -2.66060   0.00000  -0.00185   0.00165  -0.00020  -2.66080
   D100      -2.98725   0.00000  -0.00137   0.00144   0.00005  -2.98720
   D101      -2.89433   0.00000   0.00272  -0.00452  -0.00176  -2.89609
   D102       2.85702   0.00000   0.00175  -0.00334  -0.00159   2.85543
   D103      -2.90671   0.00001   0.00436  -0.00413   0.00023  -2.90648
   D104       1.19088   0.00001   0.00433  -0.00435  -0.00002   1.19086
   D105       2.80510   0.00001   0.00448  -0.00407   0.00041   2.80552
   D106       0.61950   0.00001   0.00445  -0.00429   0.00016   0.61967
   D107       2.30749  -0.00001   0.00484  -0.00423   0.00061   2.30809
   D108       0.12189  -0.00001   0.00481  -0.00445   0.00036   0.12224
   D109       1.75152   0.00001   0.00427  -0.00410   0.00016   1.75168
   D110      -0.43408   0.00001   0.00424  -0.00432  -0.00009  -0.43417
   D111       2.58778   0.00001   0.00384  -0.00337   0.00047   2.58826
   D112       0.40218   0.00001   0.00381  -0.00359   0.00022   0.40240
   D113       2.25088   0.00001   0.00378  -0.00314   0.00064   2.25152
   D114       0.06528   0.00001   0.00375  -0.00336   0.00039   0.06567
   D115      -1.61215  -0.00001   0.00059  -0.00059   0.00001  -1.61214
   D116       2.48544  -0.00001   0.00056  -0.00081  -0.00025   2.48519
   D117      -1.77387   0.00000   0.00062  -0.00056   0.00006  -1.77382
   D118       2.32371   0.00000   0.00059  -0.00078  -0.00020   2.32352
   D119      -2.73517  -0.00001   0.00037  -0.00051  -0.00013  -2.73530
   D120       1.36242  -0.00001   0.00034  -0.00073  -0.00038   1.36203
   D121      -2.69900  -0.00001   0.00065  -0.00080  -0.00015  -2.69915
   D122       1.39859  -0.00001   0.00062  -0.00102  -0.00040   1.39819
   D123       1.32336   0.00000   0.00285  -0.00193   0.00092   1.32428
   D124      -0.86224   0.00000   0.00282  -0.00215   0.00067  -0.86157
   D125       1.29311   0.00000   0.00315  -0.00238   0.00077   1.29387
   D126      -0.89249   0.00000   0.00312  -0.00260   0.00052  -0.89198
   D127       1.64822   0.00001   0.00357  -0.00294   0.00062   1.64884
   D128      -0.53738   0.00001   0.00354  -0.00316   0.00037  -0.53701
   D129       1.77545   0.00000   0.00258  -0.00208   0.00050   1.77595
   D130      -0.41015   0.00000   0.00255  -0.00230   0.00024  -0.40990
   D131       0.89291   0.00001   0.00314  -0.00234   0.00080   0.89371
   D132      -1.29269   0.00001   0.00311  -0.00256   0.00055  -1.29215
   D133      -0.95272   0.00001   0.00352  -0.00215   0.00139  -0.95134
   D134      -3.13832   0.00001   0.00349  -0.00238   0.00113  -3.13719
   D135      -0.52598   0.00000   0.00363  -0.00221   0.00141  -0.52457
   D136      -2.71158   0.00000   0.00360  -0.00243   0.00116  -2.71042
   D137      -0.22130  -0.00001   0.00583  -0.00447   0.00135  -0.21995
   D138      -2.40690  -0.00001   0.00580  -0.00469   0.00110  -2.40580
   D139       0.18467  -0.00001   0.00557  -0.00434   0.00123   0.18590
   D140      -2.00093  -0.00001   0.00554  -0.00456   0.00098  -1.99995
   D141      -0.31274   0.00000   0.00236  -0.00097   0.00140  -0.31134
   D142      -2.49834   0.00000   0.00233  -0.00119   0.00114  -2.49719
   D143      -0.05596   0.00000   0.00281  -0.00120   0.00161  -0.05435
   D144      -2.24156   0.00000   0.00278  -0.00143   0.00136  -2.24020
   D145      -2.47471  -0.00001   0.00188  -0.00202  -0.00015  -2.47486
   D146      -2.72622   0.00000   0.00194  -0.00239  -0.00045  -2.72666
   D147      -2.40993   0.00000   0.00030  -0.00079  -0.00050  -2.41043
   D148       3.00184   0.00000   0.00290  -0.00296  -0.00006   3.00178
   D149       2.61870   0.00001   0.00386  -0.00370   0.00017   2.61887
   D150       1.51766  -0.00001   0.00011  -0.00009   0.00003   1.51769
   D151       2.61875  -0.00001   0.00031  -0.00038  -0.00006   2.61868
   D152       2.99279  -0.00001   0.00042  -0.00047  -0.00005   2.99274
   D153       1.18002   0.00000   0.00366  -0.00208   0.00157   1.18159
   D154       1.24311   0.00000   0.00299  -0.00204   0.00094   1.24404
   D155       1.63435   0.00001   0.00305  -0.00244   0.00061   1.63496
   D156       1.71300   0.00000   0.00162  -0.00123   0.00037   1.71338
   D157       0.89397   0.00000   0.00242  -0.00168   0.00074   0.89471
   D158      -1.00091   0.00002   0.00120  -0.00004   0.00117  -0.99974
   D159      -0.67585   0.00001   0.00127  -0.00011   0.00116  -0.67469
   D160      -0.70841   0.00000   0.00265  -0.00167   0.00097  -0.70744
   D161      -0.39599   0.00000   0.00275  -0.00205   0.00073  -0.39526
   D162      -0.29603   0.00000   0.00108   0.00024   0.00133  -0.29470
   D163      -0.01547   0.00000   0.00140  -0.00003   0.00136  -0.01411
   D164      -1.28773   0.00000   0.00374  -0.00379  -0.00005  -1.28777
   D165       1.66318   0.00000   0.00232  -0.00213   0.00019   1.66337
   D166      -1.65925   0.00000   0.00357  -0.00374  -0.00017  -1.65943
   D167       1.29165   0.00000   0.00215  -0.00208   0.00006   1.29171
   D168      -1.73908  -0.00001   0.00308  -0.00324  -0.00017  -1.73925
   D169       1.21182  -0.00001   0.00166  -0.00159   0.00007   1.21189
   D170      -1.99722   0.00000   0.00305  -0.00209   0.00096  -1.99626
   D171       0.95368   0.00000   0.00163  -0.00043   0.00120   0.95488
   D172      -2.00850   0.00000   0.00381  -0.00384  -0.00004  -2.00854
   D173       0.94240   0.00000   0.00238  -0.00218   0.00019   0.94259
   D174      -2.31135   0.00000   0.00383  -0.00386  -0.00003  -2.31138
   D175       0.63956   0.00000   0.00241  -0.00221   0.00020   0.63976
   D176       1.97689  -0.00002   0.00094  -0.00120  -0.00027   1.97663
   D177      -1.35539  -0.00002  -0.00048   0.00045  -0.00003  -1.35542
   D178       0.83028  -0.00001   0.00134  -0.00154  -0.00020   0.83008
   D179      -2.50200  -0.00001  -0.00008   0.00012   0.00004  -2.50197
   D180       0.36587   0.00000   0.00142  -0.00156  -0.00014   0.36573
   D181      -2.96642   0.00000   0.00000   0.00010   0.00010  -2.96632
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   D183      -0.16068   0.00000   0.00204  -0.00130   0.00074  -0.15994
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   D185      -0.42679   0.00000   0.00216  -0.00149   0.00067  -0.42612
   D186       3.05931   0.00001   0.00353  -0.00337   0.00015   3.05946
   D187      -0.27297   0.00001   0.00211  -0.00172   0.00039  -0.27259
   D188       2.96844   0.00000   0.00203  -0.00204  -0.00002   2.96842
   D189      -0.36385   0.00000   0.00061  -0.00039   0.00021  -0.36363
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   D191      -0.87282   0.00001   0.00215  -0.00130   0.00085  -0.87197
   D192       0.31581   0.00002   0.00063   0.00014   0.00080   0.31661
   D193      -3.01648   0.00002  -0.00079   0.00180   0.00104  -3.01544
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   D195      -2.70510   0.00001   0.00058   0.00093   0.00153  -2.70357
   D196       0.42998   0.00001   0.00387  -0.00237   0.00149   0.43147
   D197      -2.90231   0.00002   0.00245  -0.00072   0.00173  -2.90058
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   D199      -2.23736   0.00000   0.00114   0.00062   0.00176  -2.23560
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   D201      -1.90094   0.00000   0.00194   0.00005   0.00198  -1.89896
   D202       1.60671   0.00002   0.00210  -0.00179   0.00031   1.60702
   D203      -0.60537   0.00001   0.00141  -0.00132   0.00009  -0.60527
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   D205      -0.53264   0.00001   0.00143  -0.00140   0.00003  -0.53261
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   D209      -1.01443   0.00001   0.00200  -0.00364  -0.00164  -1.01607
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   D211      -0.10102   0.00000   0.00121  -0.00125  -0.00005  -0.10107
   D212       2.22826   0.00001   0.00167  -0.00144   0.00023   2.22850
   D213       0.01619   0.00000   0.00098  -0.00096   0.00002   0.01620
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   D218      -2.00832   0.00001  -0.00007  -0.00126  -0.00133  -2.00965
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   D220      -2.11833   0.00001  -0.00346   0.00085  -0.00260  -2.12093
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   D228      -2.66468   0.00001   0.00278  -0.00265   0.00014  -2.66454
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   D232      -0.05402  -0.00002   0.00538  -0.00594  -0.00055  -0.05457
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   D249      -0.58431   0.00000  -0.00068   0.00034  -0.00034  -0.58465
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   D251      -0.82038   0.00001  -0.00063  -0.00014  -0.00077  -0.82115
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   D268       1.97891  -0.00001  -0.00150   0.00120  -0.00031   1.97860
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   D274       1.14572  -0.00001   0.00224  -0.00316  -0.00091   1.14481
   D275      -2.21592  -0.00001   0.00179  -0.00246  -0.00065  -2.21658
   D276       1.59606   0.00000   0.00045  -0.00145  -0.00097   1.59510
   D277      -1.76557   0.00000   0.00000  -0.00074  -0.00072  -1.76629
   D278       1.57760   0.00000   0.00053  -0.00100  -0.00048   1.57712
   D279      -1.78404   0.00000   0.00008  -0.00030  -0.00023  -1.78426
   D280       0.82008   0.00001  -0.00021  -0.00062  -0.00083   0.81925
   D281      -2.54156   0.00001  -0.00066   0.00009  -0.00058  -2.54214
   D282       0.79755   0.00001  -0.00019  -0.00033  -0.00052   0.79703
   D283      -2.56409   0.00001  -0.00064   0.00037  -0.00027  -2.56436
   D284       1.57650   0.00001   0.00232  -0.00243  -0.00011   1.57639
   D285      -2.64059   0.00001   0.00312  -0.00363  -0.00050  -2.64110
   D286       1.63992   0.00001   0.00224  -0.00255  -0.00031   1.63961
   D287      -2.57717   0.00001   0.00304  -0.00374  -0.00070  -2.57787
   D288       1.33097   0.00000   0.00216  -0.00291  -0.00076   1.33021
   D289      -2.88613   0.00000   0.00296  -0.00411  -0.00115  -2.88728
   D290       1.24260   0.00001   0.00229  -0.00406  -0.00177   1.24083
   D291      -2.97450   0.00001   0.00310  -0.00526  -0.00216  -2.97666
   D292       2.03732   0.00000   0.00217  -0.00268  -0.00051   2.03681
   D293      -2.17978   0.00000   0.00297  -0.00388  -0.00090  -2.18068
   D294       2.01886   0.00000   0.00203  -0.00249  -0.00045   2.01840
   D295      -2.19824   0.00000   0.00284  -0.00368  -0.00084  -2.19908
   D296      -2.30219   0.00001   0.00234  -0.00324  -0.00090  -2.30309
   D297      -0.23610   0.00001   0.00315  -0.00444  -0.00129  -0.23739
   D298      -2.27590   0.00000   0.00132  -0.00257  -0.00125  -2.27716
   D299      -0.20982   0.00000   0.00213  -0.00377  -0.00164  -0.21146
   D300      -1.88730   0.00000   0.00086  -0.00223  -0.00137  -1.88867
   D301       0.17879   0.00000   0.00167  -0.00342  -0.00176   0.17703
   D302      -1.82463   0.00000   0.00008  -0.00164  -0.00156  -1.82619
   D303       0.24145   0.00000   0.00088  -0.00283  -0.00195   0.23951
   D304      -2.62093   0.00000   0.00065  -0.00207  -0.00143  -2.62236
   D305      -0.55484   0.00000   0.00145  -0.00327  -0.00182  -0.55666
   D306      -2.74517  -0.00001   0.00012  -0.00183  -0.00172  -2.74688
   D307      -0.67908  -0.00001   0.00093  -0.00303  -0.00211  -0.68119
   D308       1.52038   0.00000   0.00180  -0.00233  -0.00053   1.51986
   D309      -2.69671   0.00000   0.00261  -0.00352  -0.00092  -2.69763
   D310       2.62127   0.00000   0.00183  -0.00234  -0.00052   2.62076
   D311      -1.59582   0.00000   0.00263  -0.00353  -0.00091  -1.59673
   D312       3.00291   0.00000   0.00296  -0.00346  -0.00052   3.00239
   D313      -1.21419   0.00000   0.00376  -0.00466  -0.00091  -1.21510
   D314      -0.44436  -0.00002   0.00603  -0.00668  -0.00065  -0.44501
   D315       1.62173  -0.00002   0.00683  -0.00787  -0.00104   1.62069
   D316      -0.29735  -0.00001   0.00428  -0.00513  -0.00084  -0.29819
   D317       1.76874  -0.00001   0.00508  -0.00632  -0.00123   1.76751
   D318       0.12693  -0.00001   0.00384  -0.00473  -0.00088   0.12605
   D319       2.19302  -0.00001   0.00464  -0.00592  -0.00127   2.19175
   D320       0.25795  -0.00001   0.00417  -0.00475  -0.00058   0.25736
   D321       2.32403  -0.00001   0.00498  -0.00595  -0.00097   2.32306
   D322      -0.55628   0.00000   0.00264  -0.00369  -0.00104  -0.55732
   D323       1.50981   0.00000   0.00345  -0.00488  -0.00143   1.50838
   D324      -0.59239   0.00000   0.00286  -0.00368  -0.00082  -0.59321
   D325       1.47370   0.00000   0.00366  -0.00488  -0.00121   1.47249
   D326       0.05937   0.00000  -0.00490   0.00403  -0.00086   0.05851
   D327       2.24324   0.00000  -0.00402   0.00358  -0.00042   2.24281
   D328       0.36727   0.00000  -0.00436   0.00367  -0.00067   0.36660
   D329       2.55114  -0.00001  -0.00348   0.00323  -0.00023   2.55090
   D330       0.73044   0.00001  -0.00473   0.00413  -0.00060   0.72984
   D331       2.91431   0.00001  -0.00385   0.00369  -0.00016   2.91414
   D332       1.00895   0.00000  -0.00487   0.00418  -0.00072   1.00824
   D333      -3.09037   0.00000  -0.00399   0.00373  -0.00028  -3.09064
   D334       0.31065  -0.00001  -0.00306   0.00278  -0.00024   0.31041
   D335       2.49452  -0.00001  -0.00218   0.00234   0.00020   2.49472
   D336       0.69691   0.00000  -0.00412   0.00417   0.00006   0.69697
   D337       2.88077   0.00000  -0.00324   0.00373   0.00050   2.88128
   D338      -2.35551   0.00000  -0.00418   0.00325  -0.00095  -2.35645
   D339      -0.17164   0.00000  -0.00330   0.00281  -0.00051  -0.17215
   D340      -1.97626   0.00000  -0.00342   0.00270  -0.00075  -1.97701
   D341       0.20760   0.00000  -0.00254   0.00225  -0.00031   0.20729
   D342      -1.93299   0.00001  -0.00295   0.00274  -0.00024  -1.93323
   D343       0.25087   0.00001  -0.00207   0.00230   0.00020   0.25108
   D344      -1.63808   0.00001  -0.00330   0.00316  -0.00018  -1.63826
   D345       0.54579   0.00001  -0.00242   0.00271   0.00026   0.54604
   D346      -1.60119  -0.00001  -0.00279   0.00196  -0.00088  -1.60207
   D347       0.58268  -0.00001  -0.00191   0.00151  -0.00044   0.58223
   D348      -1.30018   0.00000  -0.00237   0.00179  -0.00061  -1.30080
   D349       0.88368   0.00000  -0.00149   0.00135  -0.00018   0.88351
   D350       1.81443   0.00002  -0.00565   0.00519  -0.00049   1.81394
   D351      -2.28489   0.00002  -0.00476   0.00475  -0.00005  -2.28494
   D352       2.24233   0.00002  -0.00714   0.00659  -0.00057   2.24177
   D353      -1.85698   0.00002  -0.00626   0.00614  -0.00013  -1.85711
   D354       2.47088   0.00002  -0.01124   0.01070  -0.00052   2.47036
   D355      -1.62844   0.00002  -0.01036   0.01026  -0.00008  -1.62852
   D356       3.10849   0.00001  -0.00966   0.00806  -0.00149   3.10700
   D357      -0.99083   0.00001  -0.00878   0.00762  -0.00105  -0.99188
   D358       2.57375   0.00000  -0.00538   0.00454  -0.00084   2.57291
   D359      -1.52557   0.00000  -0.00450   0.00409  -0.00040  -1.52597
   D360       1.61429  -0.00001  -0.00130   0.00076  -0.00056   1.61373
   D361      -2.48503  -0.00001  -0.00042   0.00032  -0.00012  -2.48515
   D362       1.78552  -0.00001  -0.00299   0.00200  -0.00096   1.78456
   D363      -2.31380  -0.00001  -0.00211   0.00156  -0.00052  -2.31432
   D364       2.73910  -0.00002  -0.00029  -0.00005  -0.00034   2.73876
   D365      -1.36022  -0.00002   0.00059  -0.00050   0.00009  -1.36012
   D366       2.71913  -0.00001  -0.00224   0.00145  -0.00079   2.71834
   D367      -1.38019  -0.00002  -0.00136   0.00101  -0.00036  -1.38054
   D368       0.04654   0.00000  -0.00099   0.00096  -0.00002   0.04653
   D369      -2.54310   0.00000  -0.02780   0.02298  -0.00482  -2.54792
   D370       0.44600   0.00000  -0.00094   0.00094   0.00003   0.44602
   D371      -2.14365   0.00000  -0.02775   0.02296  -0.00478  -2.14843
   D372       0.65635   0.00001  -0.00155   0.00126  -0.00026   0.65609
   D373      -1.93330   0.00001  -0.02836   0.02328  -0.00506  -1.93836
   D374       0.92746   0.00000  -0.00162   0.00061  -0.00098   0.92647
   D375      -1.66219   0.00000  -0.02843   0.02262  -0.00579  -1.66798
   D376       0.69000   0.00000  -0.00014   0.00044   0.00032   0.69032
   D377      -1.89965   0.00000  -0.02695   0.02246  -0.00448  -1.90413
   D378       1.02919   0.00000  -0.00046   0.00072   0.00028   1.02947
   D379      -1.56046   0.00000  -0.02726   0.02273  -0.00452  -1.56498
   D380      -2.77395   0.00002  -0.00185   0.00117  -0.00065  -2.77461
   D381       0.91959   0.00002  -0.02866   0.02318  -0.00546   0.91413
   D382      -2.21648   0.00001  -0.00157   0.00065  -0.00088  -2.21736
   D383       1.47706   0.00001  -0.02837   0.02266  -0.00568   1.47138
   D384      -1.97673   0.00001   0.00056  -0.00075  -0.00018  -1.97690
   D385       1.71681   0.00001  -0.02625   0.02126  -0.00498   1.71183
   D386      -1.64510   0.00000   0.00120  -0.00123  -0.00002  -1.64512
   D387       2.04844   0.00000  -0.02561   0.02079  -0.00482   2.04362
   D388      -1.69265  -0.00001  -0.00069  -0.00057  -0.00125  -1.69389
   D389       2.00089  -0.00001  -0.02749   0.02145  -0.00605   1.99484
   D390      -1.10925   0.00000   0.00356  -0.00334   0.00018  -1.10907
   D391       2.58429   0.00000  -0.02324   0.01867  -0.00462   2.57967
   D392       1.78359   0.00000   0.00009  -0.00034  -0.00023   1.78336
   D393      -0.80606   0.00000  -0.02672   0.02168  -0.00504  -0.81109
   D394       2.08331   0.00000  -0.00026   0.00013  -0.00013   2.08318
   D395      -0.50634   0.00000  -0.02707   0.02214  -0.00493  -0.51127
   D396       2.02819   0.00000  -0.00096   0.00111   0.00014   2.02833
   D397      -0.56146   0.00000  -0.02776   0.02313  -0.00466  -0.56612
   D398       2.22391   0.00001  -0.00018   0.00045   0.00024   2.22414
   D399      -0.36574   0.00001  -0.02699   0.02247  -0.00457  -0.37031
   D400       2.48441  -0.00001   0.00014  -0.00043  -0.00029   2.48412
   D401      -0.10524  -0.00001  -0.02667   0.02159  -0.00509  -0.11033
   D402      -1.53360  -0.00002   0.00360  -0.00392  -0.00033  -1.53393
   D403       2.15994  -0.00002  -0.02321   0.01810  -0.00513   2.15481
   D404      -2.63337   0.00000   0.00345  -0.00419  -0.00074  -2.63412
   D405       1.06016   0.00000  -0.02335   0.01783  -0.00554   1.05462
   D406      -2.99492   0.00000   0.00213  -0.00311  -0.00099  -2.99591
   D407       0.69862   0.00000  -0.02468   0.01891  -0.00579   0.69282
   D408       1.91076   0.00000  -0.00382   0.00448   0.00065   1.91141
   D409       2.40397   0.00000  -0.00420   0.00538   0.00117   2.40514
   D410       2.63450   0.00001  -0.00366   0.00441   0.00074   2.63524
   D411       2.86670   0.00000  -0.00340   0.00319  -0.00021   2.86648
   D412       2.82591   0.00001  -0.00537   0.00784   0.00244   2.82834
   D413      -2.96179   0.00000  -0.00475   0.00668   0.00193  -2.95986
   D414      -0.75866   0.00001  -0.00232   0.00260   0.00027  -0.75839
   D415      -0.37737   0.00001  -0.00253   0.00256   0.00003  -0.37734
   D416      -0.06873   0.00001  -0.00222   0.00271   0.00048  -0.06826
   D417       0.24027   0.00001  -0.00235   0.00274   0.00038   0.24065
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   D419       0.07227   0.00000  -0.00264   0.00193  -0.00073   0.07154
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   D423      -1.62965   0.00000  -0.00209   0.00253   0.00043  -1.62922
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   D426       2.48493   0.00000   0.00143  -0.00120   0.00023   2.48516
   D427       2.95536   0.00000   0.00018  -0.00037  -0.00013   2.95523
   D428      -3.07344  -0.00003  -0.00117   0.00508   0.00391  -3.06953
   D429       0.03080  -0.00003  -0.00238   0.00259   0.00021   0.03101
   D430       0.03880   0.00003  -0.00064   0.00474   0.00411   0.04291
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   D439      -0.28300   0.00001   0.00239  -0.00008   0.00231  -0.28069
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   D441       0.73277   0.00000   0.00124  -0.00238  -0.00115   0.73162
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   D455      -2.13578  -0.00001  -0.00068  -0.00016  -0.00084  -2.13662
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   D458       0.97863   0.00000  -0.00033   0.00053   0.00021   0.97884
   D459       3.07211   0.00000  -0.00049   0.00079   0.00030   3.07241
   D460      -3.09377   0.00005   0.00269  -0.00220   0.00049  -3.09328
   D461      -0.03304   0.00005   0.00231  -0.00250  -0.00019  -0.03322
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   D463       3.12239   0.00001   0.00205  -0.00273  -0.00068   3.12171
   D464       1.94968  -0.00004  -0.00569   0.00600   0.00031   1.94999
   D465      -2.25142  -0.00002  -0.00516   0.00523   0.00006  -2.25136
   D466      -0.15789  -0.00003  -0.00540   0.00558   0.00018  -0.15772
   D467      -1.11439  -0.00003  -0.00531   0.00627   0.00096  -1.11343
   D468       0.96770  -0.00002  -0.00478   0.00550   0.00071   0.96840
   D469       3.06123  -0.00003  -0.00502   0.00585   0.00083   3.06205
   D470      -1.65718   0.00001   0.00546  -0.00648  -0.00102  -1.65820
   D471       0.44687   0.00003   0.00545  -0.00647  -0.00102   0.44585
   D472       2.54004   0.00002   0.00501  -0.00600  -0.00099   2.53905
   D473       1.40721   0.00001   0.00509  -0.00676  -0.00167   1.40554
   D474      -2.77192   0.00002   0.00508  -0.00675  -0.00167  -2.77359
   D475      -0.67876   0.00001   0.00464  -0.00628  -0.00164  -0.68040
   D476      -0.00442   0.00004   0.00085   0.00043   0.00127  -0.00315
   D477      -3.09787   0.00004  -0.00281   0.00175  -0.00105  -3.09891
   D478       3.11191   0.00000   0.00120   0.00019   0.00139   3.11330
   D479       0.01847   0.00000  -0.00245   0.00151  -0.00093   0.01754
   D480      -0.36127   0.00000   0.00192  -0.00322  -0.00135  -0.36262
   D481       1.74587   0.00001   0.00167  -0.00243  -0.00078   1.74509
   D482      -2.45019   0.00000   0.00161  -0.00296  -0.00135  -2.45154
   D483       2.73446   0.00000   0.00539  -0.00447   0.00086   2.73532
   D484      -1.44159   0.00001   0.00514  -0.00368   0.00143  -1.44016
   D485       0.64553   0.00000   0.00508  -0.00421   0.00086   0.64639
   D486      -0.00900  -0.00001   0.00764  -0.00553   0.00210  -0.00690
   D487       2.08440  -0.00002   0.00776  -0.00624   0.00151   2.08590
   D488      -2.11319  -0.00001   0.00785  -0.00635   0.00148  -2.11171
   D489      -3.10473  -0.00001   0.00415  -0.00425  -0.00009  -3.10482
   D490      -1.01133  -0.00002   0.00427  -0.00496  -0.00069  -1.01202
   D491       1.07426  -0.00002   0.00436  -0.00507  -0.00071   1.07355
         Item               Value     Threshold  Converged?
 Maximum Force            0.000116     0.000450     YES
 RMS     Force            0.000014     0.000300     YES
 Maximum Displacement     0.009822     0.001800     NO 
 RMS     Displacement     0.000863     0.001200     YES
 Predicted change in Energy=-1.227384D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:04:28 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833876   -0.602942    1.677704
      2          6           0       -2.088617    1.106712   -1.353195
      3          8           0       -2.640016    0.124236   -1.879412
      4          7           0       -0.795155    1.155751   -0.933473
      5          1           0       -2.636740    2.048614   -1.150298
      6          6           0       -0.255160    2.327467   -0.243135
      7          1           0       -1.010499    3.125333   -0.223015
      8          1           0        0.020914    2.058766    0.789097
      9          1           0        0.643570    2.688856   -0.768968
     10          6           0        0.115760    0.020939   -1.102965
     11          1           0        0.686876   -0.125327   -0.172844
     12          1           0       -0.466002   -0.884055   -1.321684
     13          1           0        0.822888    0.214080   -1.926516
     14          6           0       -1.987359   -4.019157    2.609306
     15          8           0       -2.106249   -3.869266    3.837467
     16          7           0       -2.932764   -3.711609    1.680185
     17          1           0       -1.057243   -4.411480    2.152206
     18          6           0       -4.233361   -3.153729    2.059142
     19          1           0       -4.503827   -2.361227    1.343472
     20          1           0       -5.012958   -3.933349    2.034571
     21          1           0       -4.169035   -2.730977    3.070073
     22          6           0       -2.688855   -3.889851    0.248605
     23          1           0       -3.399560   -4.620166   -0.171824
     24          1           0       -2.825426   -2.927853   -0.272492
     25          1           0       -1.661159   -4.245503    0.090620
     26          6           0        1.536200    0.381593    2.620796
     27          8           0        1.348292    1.397685    3.311269
     28          7           0        1.171101   -0.884066    2.962454
     29          1           0        2.023426    0.427822    1.626944
     30          6           0        1.487281   -2.030613    2.110525
     31          1           0        2.231780   -2.679224    2.602060
     32          1           0        0.576030   -2.623775    1.930862
     33          1           0        1.884197   -1.676948    1.149144
     34          6           0        0.532312   -1.169772    4.249590
     35          1           0        1.282347   -1.484990    4.995056
     36          1           0        0.019032   -0.268169    4.606999
     37          1           0       -0.195597   -1.983203    4.115929
     38          6           0       -4.613536    1.188103    2.908814
     39          8           0       -4.880419    1.824766    1.875563
     40          7           0       -3.515714    1.374457    3.691433
     41          1           0       -5.261523    0.367315    3.278132
     42          6           0       -2.504362    2.384748    3.368541
     43          1           0       -2.573939    2.644057    2.303808
     44          1           0       -2.650317    3.292059    3.978106
     45          1           0       -1.506948    1.972203    3.581668
     46          6           0       -3.257969    0.538560    4.864822
     47          1           0       -4.064429   -0.198823    4.978025
     48          1           0       -2.298114    0.009499    4.741122
     49          1           0       -3.200511    1.162585    5.771608
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489148   0.000000
     3  O    3.719103   1.243465   0.000000
     4  N    3.315145   1.360741   2.315672   0.000000
     5  H    3.958906   1.108506   2.057874   2.058071   0.000000
     6  C    3.843080   2.466585   3.635817   1.463243   2.563715
     7  H    4.265058   2.552347   3.795466   2.104847   2.159593
     8  H    3.363712   3.153719   4.236023   2.109183   3.290058
     9  H    4.791646   3.210816   4.311878   2.108886   3.363890
    10  C    3.452887   2.469979   2.864933   1.465023   3.419059
    11  H    3.163358   3.257991   3.747381   2.101459   4.089970
    12  H    3.308539   2.568467   2.460497   2.102345   3.652673
    13  H    4.551519   3.098766   3.464389   2.119184   3.992124
    14  C    3.544286   6.479676   6.143473   6.383753   7.167577
    15  O    3.925256   7.190524   6.993974   7.052065   7.757610
    16  N    3.297176   5.755884   5.241197   5.923831   6.424907
    17  H    3.915772   6.618308   6.271510   6.370570   7.425238
    18  C    3.522717   5.864754   5.366193   6.272848   6.317759
    19  H    3.214329   5.013168   4.476417   5.595343   5.399222
    20  H    4.617956   6.740248   6.116708   7.245556   7.181481
    21  H    3.452563   6.214603   5.915027   6.520590   6.557739
    22  C    3.684709   5.281258   4.543538   5.517382   6.101230
    23  H    4.691504   5.992608   5.099228   6.381556   6.783210
    24  H    3.192436   4.241288   3.454247   4.608115   5.056814
    25  H    3.977048   5.559993   4.892219   5.565273   6.489032
    26  C    3.635402   5.427494   6.144826   4.320574   5.866305
    27  O    4.098443   5.801226   6.668691   4.761378   6.017455
    28  N    3.280167   5.763140   6.243793   4.817183   6.325741
    29  H    3.992973   5.123574   5.842464   3.876856   5.661907
    30  C    3.640832   5.884488   6.131684   4.962695   6.654367
    31  H    4.657783   6.974466   7.188698   6.030701   7.754685
    32  H    3.155234   5.639318   5.693217   4.936535   6.453423
    33  H    3.906012   5.458361   5.734537   4.420452   6.293339
    34  C    3.540443   6.591118   7.021595   5.833898   7.039864
    35  H    4.636128   7.640720   8.076686   6.814468   8.100061
    36  H    3.482256   6.469651   7.021257   5.778172   6.750339
    37  H    3.245616   6.560672   6.808862   5.975697   7.067381
    38  C    3.528453   4.954448   5.287126   5.417033   4.596150
    39  O    3.900556   4.328353   4.691593   5.002764   3.773598
    40  N    3.285390   5.249434   5.776176   5.370198   4.966834
    41  H    3.905321   5.662441   5.790652   6.189321   5.415464
    42  C    3.497824   4.909278   5.715709   4.789483   4.533257
    43  H    3.388614   3.996578   4.883973   3.982350   3.505617
    44  H    4.596680   5.789129   6.659259   5.668249   5.277013
    45  H    3.219214   5.043837   5.875562   4.643247   4.865571
    46  C    3.672709   6.352473   6.785147   6.329818   6.232805
    47  H    4.003848   6.759630   7.011260   6.889763   6.681737
    48  H    3.158343   6.195842   6.630350   5.981120   6.243516
    49  H    4.663135   7.211258   7.741475   7.123474   7.001119
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098878   0.000000
     8  H    1.101780   1.796037   0.000000
     9  H    1.102187   1.795694   1.792283   0.000000
    10  C    2.489370   3.417607   2.782380   2.740058   0.000000
    11  H    2.628415   3.667477   2.477721   2.876954   1.101222
    12  H    3.394347   4.192701   3.654132   3.781843   1.097861
    13  H    2.909014   3.839091   3.379436   2.737990   1.102529
    14  C    7.170535   7.747260   6.654883   7.958138   5.875920
    15  O    7.647047   8.161654   6.997066   8.472880   6.669249
    16  N    6.880346   7.352623   6.543354   7.730101   5.565190
    17  H    7.196832   7.902367   6.699595   7.863891   5.623025
    18  C    7.153326   7.417662   6.847042   8.119018   6.244381
    19  H    6.523216   6.690259   6.349563   7.514082   5.744593
    20  H    8.186721   8.422670   7.924425   9.149302   7.196129
    21  H    7.203029   7.424093   6.760189   8.202072   6.583825
    22  C    6.694753   7.228562   6.559041   7.444453   4.998688
    23  H    7.626398   8.105739   7.565127   8.374084   5.896131
    24  H    5.850258   6.319611   5.839092   6.620260   4.246839
    25  H    6.729945   7.406143   6.562092   7.357717   4.773323
    26  C    3.898396   4.701175   2.909316   4.196516   4.001764
    27  O    4.008657   4.586918   2.925801   4.337290   4.785397
    28  N    4.756465   5.566136   3.834928   5.193031   4.296558
    29  H    3.506822   4.461347   2.715147   3.571648   3.355167
    30  C    5.250587   6.186120   4.540861   5.592558   4.051722
    31  H    6.272715   7.224009   5.533834   6.534717   5.049320
    32  H    5.471009   6.341018   4.851595   5.959672   4.050984
    33  H    4.748750   5.772693   4.190110   4.927327   3.328991
    34  C    5.747640   6.390022   4.760252   6.331454   5.499196
    35  H    6.658633   7.330790   5.642651   7.145138   6.388631
    36  H    5.507840   5.992064   4.471130   6.167257   5.718096
    37  H    6.130812   6.751862   5.239485   6.811355   5.599141
    38  C    5.498034   5.151999   5.170046   6.589043   6.310537
    39  O    5.112202   4.590402   5.025756   6.185034   6.089928
    40  N    5.198102   4.966344   4.625966   6.238786   6.164889
    41  H    6.426911   6.159213   6.079510   7.525868   6.944722
    42  C    4.255161   3.959718   3.624474   5.207776   5.696227
    43  H    3.458885   3.010117   3.061074   4.449305   5.071620
    44  H    4.948342   4.512895   4.338924   5.809324   6.645953
    45  H    4.040087   4.006468   3.184385   4.905747   5.327889
    46  C    6.189368   6.134216   5.447351   7.182295   6.874915
    47  H    6.939249   6.886750   6.271670   7.970688   7.382460
    48  H    5.864252   6.000752   5.019550   6.796583   6.322995
    49  H    6.797732   6.677128   6.000510   7.738577   7.717562
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795725   0.000000
    13  H    1.791386   1.798044   0.000000
    14  C    5.482135   5.253197   6.811129   0.000000
    15  O    6.156396   6.182130   7.647029   1.242972   0.000000
    16  N    5.421894   4.805330   6.521063   1.360750   2.315566
    17  H    5.178698   4.986001   6.447222   1.108140   2.057794
    18  C    6.193684   5.547468   7.265898   2.469043   2.863396
    19  H    5.851654   5.058569   6.760098   3.268590   3.773933
    20  H    7.201515   6.421639   8.182205   3.080898   3.421037
    21  H    6.394200   6.034161   7.652357   2.575155   2.477838
    22  C    5.073935   4.054835   5.822864   2.466116   3.635902
    23  H    6.074746   4.887378   6.654168   3.176508   4.279125
    24  H    4.494480   3.293144   5.090947   3.193440   4.277292
    25  H    4.749582   3.836969   5.488826   2.549788   3.791902
    26  C    2.963570   4.599329   4.605966   5.637571   5.728658
    27  O    3.859544   5.473778   5.395495   6.400117   6.320721
    28  N    3.261940   4.586278   5.022869   4.464233   4.518637
    29  H    2.309021   4.075866   3.756868   6.068530   6.356539
    30  C    3.079698   4.112173   4.666665   4.034379   4.390493
    31  H    4.075440   5.088853   5.555555   4.426806   4.664860
    32  H    3.268044   3.832951   4.795178   2.996388   3.518665
    33  H    2.364056   3.501015   3.763250   4.754678   5.287437
    34  C    4.546722   5.667218   6.335911   4.142254   3.797251
    35  H    5.376845   6.581721   7.141856   4.775436   4.302019
    36  H    4.828387   5.980288   6.600422   4.699605   4.251693
    37  H    4.756474   5.554177   6.509725   3.102489   2.699141
    38  C    6.270253   6.276383   7.340561   5.839697   5.720652
    39  O    6.244486   6.086639   7.041152   6.561982   6.630767
    40  N    5.902859   6.287524   7.192447   5.709460   5.431809
    41  H    6.894591   6.761749   8.008240   5.514401   5.311989
    42  C    5.387567   6.069447   6.619669   6.469446   6.284192
    43  H    4.943299   5.480434   5.944650   6.695956   6.707773
    44  H    6.328173   7.092174   7.510105   7.467731   7.183339
    45  H    4.827925   5.769284   6.233717   6.088734   5.877700
    46  C    6.432777   6.934822   7.929751   5.241620   4.670208
    47  H    7.007978   7.287287   8.469300   4.951767   4.313640
    48  H    5.751122   6.396302   7.364775   4.568509   3.987257
    49  H    7.218518   7.872805   8.737764   6.190504   5.500712
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056745   0.000000
    18  C    1.465057   3.417357   0.000000
    19  H    2.098844   4.091030   1.101542   0.000000
    20  H    2.121783   3.986242   1.102806   1.791200   0.000000
    21  H    2.102806   3.653741   1.097651   1.797206   1.797266
    22  C    1.463107   2.560849   2.491069   2.613341   2.931386
    23  H    2.115020   3.306223   2.796940   2.935700   2.818324
    24  H    2.106832   3.347652   2.733097   2.397798   3.334495
    25  H    2.104457   2.154623   3.418081   3.633303   3.887279
    26  C    6.132756   5.469833   6.789830   6.755483   7.864722
    27  O    6.862417   6.393468   7.310133   7.228343   8.397343
    28  N    5.145961   4.250255   5.930898   6.083413   6.957131
    29  H    6.457673   5.760665   7.222305   7.103815   8.288345
    30  C    4.748446   3.484948   5.830075   6.049053   6.773424
    31  H    5.346792   3.744429   6.505226   6.859560   7.374354
    32  H    3.682100   2.431555   4.840202   5.120440   5.741300
    33  H    5.255945   4.139549   6.358734   6.427507   7.310682
    34  C    5.006948   4.175449   5.607654   5.935299   6.579793
    35  H    5.806321   4.703172   6.467404   6.897947   7.374944
    36  H    5.397834   4.934714   5.735928   5.957159   6.735862
    37  H    4.051213   3.239626   4.680176   5.137146   5.598400
    38  C    5.323692   6.676451   4.440493   3.880731   5.210864
    39  O    5.872221   7.320107   5.023723   4.236446   5.761834
    40  N    5.500274   6.472277   4.866606   4.521573   5.758448
    41  H    4.961268   6.463789   3.865334   3.429571   4.483742
    42  C    6.340319   7.054242   5.947999   5.533809   6.927544
    43  H    6.396261   7.218307   6.035551   5.449733   7.020226
    44  H    7.376421   8.075662   6.909170   6.506646   7.846395
    45  H    6.160707   6.557210   6.002216   5.724458   7.039968
    46  C    5.320865   6.058414   4.738800   4.728724   5.575685
    47  H    4.949352   5.897025   4.156908   4.251945   4.848743
    48  H    4.859914   5.271367   4.576484   4.693563   5.499258
    49  H    6.369396   6.983113   5.786169   5.807260   6.574112
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390369   0.000000
    23  H    3.830277   1.102371   0.000000
    24  H    3.607878   1.102557   1.789885   0.000000
    25  H    4.178561   1.098911   1.797578   1.795430   0.000000
    26  C    6.514573   6.459382   7.561617   6.192522   6.167245
    27  O    6.895283   7.323695   8.419535   6.998110   7.160653
    28  N    5.651523   5.594548   6.683792   5.533007   5.250560
    29  H    7.099804   6.538173   7.624075   6.195142   6.146253
    30  C    5.779719   4.935952   5.982985   5.008318   4.347232
    31  H    6.418111   5.587219   6.570668   5.822388   4.890351
    32  H    4.881080   3.884895   4.920588   4.064128   3.319866
    33  H    6.437590   5.159526   6.190765   5.076058   4.504164
    34  C    5.092277   5.812282   6.849360   5.900379   5.618583
    35  H    5.914019   6.639473   7.645013   6.833939   6.351233
    36  H    5.095828   6.280511   7.311894   6.242939   6.248192
    37  H    4.176266   4.980747   5.966890   5.202558   4.844480
    38  C    3.947502   6.047042   6.685810   5.500830   6.795794
    39  O    4.763162   6.332992   6.922564   5.605758   7.099142
    40  N    4.203273   6.344265   7.132584   5.890591   6.927422
    41  H    3.291843   5.824098   6.343822   5.422143   6.663403
    42  C    5.388030   7.009895   7.899645   6.448560   7.444191
    43  H    5.658842   6.850476   7.718766   6.143838   7.293655
    44  H    6.277579   8.092620   8.965857   7.535619   8.538491
    45  H    5.428475   6.846159   7.818569   6.372087   7.132396
    46  C    3.839406   6.422162   7.211123   6.212495   6.944786
    47  H    3.172228   6.154941   6.819917   6.045714   6.785134
    48  H    3.715234   5.961570   6.839885   5.834588   6.335450
    49  H    4.836958   7.502830   8.294830   7.307771   7.993162
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242782   0.000000
    28  N    1.360853   2.315051   0.000000
    29  H    1.107821   2.057521   2.056963   0.000000
    30  C    2.466071   3.635152   1.462984   2.562265   0.000000
    31  H    3.138914   4.231397   2.116014   3.263127   1.102988
    32  H    3.229578   4.321349   2.108288   3.391101   1.102043
    33  H    2.554300   3.796755   2.103630   2.162807   1.098578
    34  C    2.463229   2.852737   1.465059   3.413796   2.495719
    35  H    3.030790   3.339058   2.122488   3.943631   2.942826
    36  H    2.582440   2.494178   2.100267   3.658241   3.390331
    37  H    3.290411   3.802825   2.099159   4.114869   2.618391
    38  C    6.209079   5.979070   6.144817   6.802241   6.943871
    39  O    6.618997   6.406285   6.718630   7.048144   7.447600
    40  N    5.258695   4.878895   5.253434   5.986677   6.254896
    41  H    6.829446   6.689724   6.560812   7.469978   7.256701
    42  C    4.571421   3.977501   4.935491   5.231021   6.083685
    43  H    4.702389   4.237017   5.187175   5.148360   6.195433
    44  H    5.276366   4.474617   5.751070   5.964537   6.995599
    45  H    3.565679   2.924993   3.964044   4.320834   5.210778
    46  C    5.295692   4.936524   5.025886   6.195906   6.058399
    47  H    6.104134   5.884255   5.651801   6.977421   6.511489
    48  H    4.397295   4.155456   3.999696   5.343108   5.040963
    49  H    5.742299   5.176886   5.584900   6.708773   6.750957
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787481   0.000000
    33  H    1.798982   1.794119   0.000000
    34  C    2.807311   2.737250   3.420173   0.000000
    35  H    2.837965   3.344398   3.897449   1.103465   0.000000
    36  H    3.837867   3.608439   4.173758   1.097308   1.796443
    37  H    2.944215   2.404217   3.636089   1.099721   1.790363
    38  C    7.868206   6.512941   7.316111   5.816958   6.801416
    39  O    8.449680   7.040271   7.651778   6.625776   7.659334
    40  N    7.117074   5.985636   6.703233   4.813642   5.735613
    41  H    8.117146   6.696177   7.731294   6.072469   7.014349
    42  C    6.975840   6.053184   6.378286   4.757335   5.653281
    43  H    7.177828   6.149102   6.315006   5.289626   6.258018
    44  H    7.834833   7.042558   7.297662   5.487328   6.270585
    45  H    6.047603   5.309141   5.543766   3.804827   4.661547
    46  C    6.753634   5.771311   6.719866   4.202753   4.972544
    47  H    7.172157   6.058007   7.227124   4.754301   5.499321
    48  H    5.685487   4.805455   5.765252   3.105413   3.888146
    49  H    7.369892   6.584080   7.435346   4.657294   5.263906
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796818   0.000000
    38  C    5.144438   5.570681   0.000000
    39  O    5.987130   6.439520   1.242648   0.000000
    40  N    4.003862   4.741018   1.361041   2.315724   0.000000
    41  H    5.482151   5.647163   1.109043   2.058301   2.057426
    42  C    3.865134   4.996797   2.468182   2.861505   1.465530
    43  H    4.528713   5.509249   2.577943   2.484851   2.103408
    44  H    4.494014   5.820055   3.069893   3.398086   2.123274
    45  H    2.898135   4.201228   3.273902   3.783231   2.098687
    46  C    3.384674   4.037109   2.466867   3.636253   1.463557
    47  H    4.100868   4.346847   2.550827   3.792891   2.105141
    48  H    2.337574   2.963495   3.179251   4.263205   2.108911
    49  H    3.710637   4.654757   3.192629   4.294151   2.114562
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417623   0.000000
    43  H    3.654582   1.098062   0.000000
    44  H    3.982774   1.102763   1.796946   0.000000
    45  H    4.094464   1.100205   1.795211   1.790664   0.000000
    46  C    2.561471   2.493028   3.385234   2.955887   2.601517
    47  H    2.154805   3.420393   4.177914   3.896898   3.633714
    48  H    3.324179   2.751058   3.599649   3.388428   2.412982
    49  H    3.331313   2.784427   3.822693   2.837961   2.884349
                   46         47         48         49
    46  C    0.000000
    47  H    1.098601   0.000000
    48  H    1.102964   1.794266   0.000000
    49  H    1.102257   1.797098   1.790483   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2138424      0.1939779      0.1842933
 Leave Link  202 at Mon Nov 14 03:04:29 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0820468398 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839590618 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8980877780 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4012
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.24D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     198
 GePol: Fraction of low-weight points (<1% of avg)   =       4.94%
 GePol: Cavity surface area                          =    467.281 Ang**2
 GePol: Cavity volume                                =    457.845 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040168387 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8940709392 Hartrees.
 Leave Link  301 at Mon Nov 14 03:04:29 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11976 LenP2D=   37491.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:04:30 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:04:30 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000809    0.000075   -0.000359
         Rot=    1.000000    0.000011   -0.000043    0.000025 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 03:04:31 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48288432.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.13D-14 for   3768.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.72D-15 for   2644   1784.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.10D-14 for   3768.
 Iteration    1 A^-1*A deviation from orthogonality  is 8.68D-11 for   1986   1914.
 E= -1013.45129456124    
 DIIS: error= 7.80D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45129456124     IErMin= 1 ErrMin= 7.80D-05
 ErrMax= 7.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-06 BMatP= 7.41D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.64D-05 MaxDP=6.61D-04              OVMax= 1.03D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.64D-05    CP:  1.00D+00
 E= -1013.45130752271     Delta-E=       -0.000012961470 Rises=F Damp=F
 DIIS: error= 1.56D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45130752271     IErMin= 2 ErrMin= 1.56D-05
 ErrMax= 1.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-07 BMatP= 7.41D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.324D-01 0.968D+00
 Coeff:      0.324D-01 0.968D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.52D-06 MaxDP=1.36D-04 DE=-1.30D-05 OVMax= 2.91D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.41D-06    CP:  1.00D+00  9.45D-01
 E= -1013.45130694290     Delta-E=        0.000000579805 Rises=F Damp=F
 DIIS: error= 3.94D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45130752271     IErMin= 2 ErrMin= 1.56D-05
 ErrMax= 3.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.89D-07 BMatP= 2.02D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.335D-02 0.689D+00 0.308D+00
 Coeff:      0.335D-02 0.689D+00 0.308D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.64D-06 MaxDP=1.23D-04 DE= 5.80D-07 OVMax= 2.64D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.25D-06    CP:  1.00D+00  9.69D-01  3.25D-01
 E= -1013.45130766106     Delta-E=       -0.000000718157 Rises=F Damp=F
 DIIS: error= 7.13D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45130766106     IErMin= 4 ErrMin= 7.13D-06
 ErrMax= 7.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-08 BMatP= 2.02D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.773D-04 0.296D+00 0.207D+00 0.497D+00
 Coeff:     -0.773D-04 0.296D+00 0.207D+00 0.497D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.95D-07 MaxDP=3.51D-05 DE=-7.18D-07 OVMax= 5.38D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.29D-07    CP:  1.00D+00  9.71D-01  3.86D-01  5.38D-01
 E= -1013.45130770011     Delta-E=       -0.000000039055 Rises=F Damp=F
 DIIS: error= 2.89D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45130770011     IErMin= 5 ErrMin= 2.89D-06
 ErrMax= 2.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.68D-09 BMatP= 4.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.221D-04 0.151D+00 0.117D+00 0.329D+00 0.403D+00
 Coeff:      0.221D-04 0.151D+00 0.117D+00 0.329D+00 0.403D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.86D-07 MaxDP=1.07D-05 DE=-3.91D-08 OVMax= 1.09D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.22D-07    CP:  1.00D+00  9.72D-01  3.79D-01  5.66D-01  5.98D-01
 E= -1013.45130770403     Delta-E=       -0.000000003921 Rises=F Damp=F
 DIIS: error= 3.38D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45130770403     IErMin= 6 ErrMin= 3.38D-07
 ErrMax= 3.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.13D-11 BMatP= 4.68D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.670D-06 0.645D-01 0.512D-01 0.147D+00 0.206D+00 0.531D+00
 Coeff:     -0.670D-06 0.645D-01 0.512D-01 0.147D+00 0.206D+00 0.531D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.74D-08 MaxDP=1.47D-06 DE=-3.92D-09 OVMax= 2.03D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.59D-08    CP:  1.00D+00  9.72D-01  3.79D-01  5.69D-01  5.93D-01
                    CP:  9.36D-01
 E= -1013.45130770411     Delta-E=       -0.000000000074 Rises=F Damp=F
 DIIS: error= 9.07D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45130770411     IErMin= 7 ErrMin= 9.07D-08
 ErrMax= 9.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.45D-12 BMatP= 8.13D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.177D-04 0.142D-01 0.119D-01 0.348D-01 0.570D-01 0.288D+00
 Coeff-Com:  0.594D+00
 Coeff:     -0.177D-04 0.142D-01 0.119D-01 0.348D-01 0.570D-01 0.288D+00
 Coeff:      0.594D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.77D-09 MaxDP=4.38D-07 DE=-7.41D-11 OVMax= 5.88D-07

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45130770     A.U. after    7 cycles
            NFock=  7  Conv=0.98D-08     -V/T= 2.0213
 KE= 9.923501065216D+02 PE=-6.027311986911D+03 EE= 2.173616501746D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:05:59 2016, MaxMem=  2952790016 cpu:       995.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11976 LenP2D=   37491.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 03:06:07 2016, MaxMem=  2952790016 cpu:        96.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:06:07 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:06:44 2016, MaxMem=  2952790016 cpu:       439.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19839057D+00-2.66541456D+00 3.27813864D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000087641    0.000232372   -0.000068022
      2        6          -0.000027634   -0.000012526    0.000110125
      3        8           0.000040120   -0.000010449   -0.000132792
      4        7          -0.000019926    0.000006729   -0.000007283
      5        1           0.000046626    0.000032152    0.000022556
      6        6          -0.000018057    0.000118611   -0.000090886
      7        1           0.000004016    0.000005552    0.000006103
      8        1           0.000128121   -0.000042910    0.000102809
      9        1           0.000044895    0.000045710    0.000060523
     10        6          -0.000008684    0.000035032    0.000011518
     11        1          -0.000001552    0.000019953    0.000013748
     12        1           0.000039008    0.000018166   -0.000029352
     13        1           0.000028258    0.000036903    0.000023591
     14        6          -0.000036839    0.000013515    0.000029817
     15        8          -0.000009363   -0.000058436   -0.000024907
     16        7          -0.000041732    0.000024872   -0.000047397
     17        1           0.000029700    0.000029602   -0.000030715
     18        6          -0.000017935   -0.000020688   -0.000025320
     19        1          -0.000000541    0.000043233   -0.000081589
     20        1          -0.000000021   -0.000008405   -0.000046990
     21        1          -0.000006347   -0.000021559   -0.000042219
     22        6           0.000004060    0.000024313   -0.000041843
     23        1           0.000032211    0.000001056   -0.000061530
     24        1           0.000052600   -0.000006896   -0.000022094
     25        1           0.000019655    0.000028398   -0.000034945
     26        6          -0.000000358    0.000100695    0.000042932
     27        8           0.000030446   -0.000010854    0.000087440
     28        7          -0.000031824   -0.000035036    0.000048941
     29        1          -0.000037855    0.000003628    0.000009124
     30        6          -0.000018368   -0.000084411    0.000053107
     31        1           0.000054742    0.000028702   -0.000042620
     32        1           0.000017029   -0.000007412   -0.000008970
     33        1          -0.000047588    0.000022104   -0.000002896
     34        6          -0.000000086    0.000005091    0.000021496
     35        1          -0.000023060   -0.000009286    0.000010750
     36        1          -0.000054033   -0.000020897   -0.000010695
     37        1           0.000003827   -0.000041893    0.000002762
     38        6          -0.000104171   -0.000120666    0.000055278
     39        8           0.000067415   -0.000124945    0.000050161
     40        7          -0.000082344    0.000036834    0.000076356
     41        1          -0.000034594   -0.000023269   -0.000037559
     42        6          -0.000051109    0.000017948    0.000075260
     43        1          -0.000058472   -0.000075554    0.000015969
     44        1          -0.000056900   -0.000025156    0.000017754
     45        1           0.000125071   -0.000117873    0.000049604
     46        6           0.000055164   -0.000016452   -0.000124627
     47        1          -0.000039791    0.000002117   -0.000006097
     48        1          -0.000049387   -0.000006698    0.000043606
     49        1          -0.000032035   -0.000031017   -0.000019979
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000232372 RMS     0.000053007
 Leave Link  716 at Mon Nov 14 03:06:44 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000119011 RMS     0.000015620
 Search for a local minimum.
 Step number  65 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15620D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   41   42   43   44   45
                                                     46   47   48   49   50
                                                     51   53   55   56   57
                                                     59   60   61   62   63
                                                     64   65
 DE=  1.21D-06 DEPred=-1.23D-06 R=-9.85D-01
 Trust test=-9.85D-01 RLast= 4.39D-02 DXMaxT set to 7.01D-02
 ITU= -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1
 ITU=  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  0
     Eigenvalues ---    0.00000   0.00002   0.00020   0.00090   0.00124
     Eigenvalues ---    0.00142   0.00250   0.00279   0.00379   0.00435
     Eigenvalues ---    0.00473   0.00539   0.00588   0.00676   0.00728
     Eigenvalues ---    0.00752   0.00806   0.00894   0.01007   0.01031
     Eigenvalues ---    0.01124   0.01164   0.01219   0.01278   0.01297
     Eigenvalues ---    0.01412   0.01463   0.01544   0.01574   0.01634
     Eigenvalues ---    0.01649   0.01724   0.01801   0.01872   0.01900
     Eigenvalues ---    0.01993   0.02057   0.02110   0.02140   0.02267
     Eigenvalues ---    0.02326   0.02585   0.02669   0.02938   0.03089
     Eigenvalues ---    0.03182   0.03901   0.03955   0.04304   0.04540
     Eigenvalues ---    0.04732   0.05283   0.05522   0.05799   0.05916
     Eigenvalues ---    0.06180   0.06348   0.06442   0.06549   0.06828
     Eigenvalues ---    0.06962   0.07214   0.07560   0.07945   0.08081
     Eigenvalues ---    0.08107   0.08192   0.08244   0.08468   0.08626
     Eigenvalues ---    0.08700   0.08803   0.08969   0.09133   0.09473
     Eigenvalues ---    0.09663   0.09781   0.09893   0.10088   0.10246
     Eigenvalues ---    0.10386   0.10477   0.10539   0.10821   0.11166
     Eigenvalues ---    0.11234   0.11289   0.11649   0.12825   0.13242
     Eigenvalues ---    0.13790   0.14212   0.14537   0.15097   0.15202
     Eigenvalues ---    0.15625   0.17483   0.20860   0.22305   0.23178
     Eigenvalues ---    0.23487   0.24085   0.25214   0.25596   0.25659
     Eigenvalues ---    0.26939   0.27710   0.28547   0.29278   0.29630
     Eigenvalues ---    0.30067   0.31246   0.32775   0.32815   0.32823
     Eigenvalues ---    0.32892   0.33298   0.33348   0.33373   0.33384
     Eigenvalues ---    0.33402   0.33423   0.33469   0.33559   0.33694
     Eigenvalues ---    0.33792   0.33814   0.33838   0.33923   0.33948
     Eigenvalues ---    0.34026   0.34110   0.34605   0.37335   0.39014
     Eigenvalues ---    0.40802   0.42850   0.85864   0.86094   0.86871
     Eigenvalues ---    0.89756
 Eigenvalue     1 is   6.72D-07 Eigenvector:
                         D381      D383      D373      D375      D369
   1                   -0.20193  -0.19827  -0.19788  -0.19524  -0.19316
                         D371      D397      D389      D379      D399
   1                   -0.19208  -0.19142  -0.18914  -0.18885  -0.18834
 Eigenvalue     2 is   1.83D-05 Eigenvector:
                         D411      D489      D410      D408      D409
   1                   -0.12642  -0.12043  -0.11939  -0.11873  -0.11551
                          R6       D418      D414      D419      D413
   1                   -0.11393  -0.10804  -0.10791  -0.10738  -0.10705
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    65   64   63   62   61
 RFO step:  Lambda=-1.06169102D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC= -3.52D-06 SmlDif=  1.00D-05
 RMS Error=  0.2133630269D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.60617    0.79595    0.50809    0.61489   -1.52511
 Iteration  1 RMS(Cart)=  0.00139885 RMS(Int)=  0.00003727
 Iteration  2 RMS(Cart)=  0.00000253 RMS(Int)=  0.00001849
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001849
 ITry= 1 IFail=0 DXMaxC= 1.36D-02 DCOld= 1.00D+10 DXMaxT= 7.01D-02 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59353   0.00002  -0.00494   0.00538   0.00043   6.59396
    R2        6.26472   0.00002   0.00272  -0.00487  -0.00215   6.26257
    R3        7.26237   0.00004   0.00301  -0.00306  -0.00004   7.26233
    R4        6.35649   0.00002   0.00015   0.00302   0.00316   6.35966
    R5        6.52501   0.00003  -0.00129   0.00182   0.00053   6.52554
    R6        5.97788   0.00000  -0.00323   0.00909   0.00585   5.98373
    R7        6.69773   0.00000   0.00262  -0.00336  -0.00075   6.69698
    R8        6.23076  -0.00001  -0.00080   0.00123   0.00042   6.23118
    R9        6.65697   0.00002   0.00095  -0.00003   0.00093   6.65790
   R10        6.07420   0.00000   0.00355  -0.00101   0.00253   6.07674
   R11        6.96309  -0.00002  -0.00305   0.00174  -0.00132   6.96177
   R12        6.03283   0.00000  -0.00239   0.00104  -0.00135   6.03148
   R13        6.86991  -0.00001   0.00153  -0.00158  -0.00004   6.86987
   R14        6.19862  -0.00001  -0.00400   0.00260  -0.00139   6.19723
   R15        6.88018  -0.00001  -0.00711   0.00501  -0.00210   6.87807
   R16        5.96253   0.00002  -0.00070   0.00064  -0.00006   5.96247
   R17        6.69047   0.00004  -0.00509   0.00375  -0.00133   6.68914
   R18        6.66781  -0.00003   0.01211  -0.01384  -0.00175   6.66606
   R19        6.20849   0.00001  -0.00052   0.00196   0.00148   6.20996
   R20        6.60993  -0.00004   0.00288  -0.00322  -0.00029   6.60964
   R21        6.08343  -0.00003  -0.01436   0.00708  -0.00738   6.07606
   R22        6.94041   0.00000  -0.00929   0.00942   0.00016   6.94058
   R23        5.96840   0.00004  -0.00558   0.00633   0.00076   5.96916
   R24        2.34981   0.00008   0.00012  -0.00025  -0.00013   2.34967
   R25        2.57143  -0.00001  -0.00003  -0.00022  -0.00025   2.57118
   R26        2.09477  -0.00001   0.00003   0.00009   0.00012   2.09489
   R27        2.76513   0.00003  -0.00027   0.00014  -0.00013   2.76500
   R28        2.76849   0.00000   0.00003  -0.00020  -0.00017   2.76832
   R29        2.07658  -0.00001   0.00011  -0.00009   0.00002   2.07660
   R30        2.08206   0.00008   0.00051  -0.00052  -0.00001   2.08205
   R31        2.08283   0.00003  -0.00007   0.00009   0.00002   2.08285
   R32        2.08101   0.00001   0.00020  -0.00030  -0.00010   2.08091
   R33        2.07466   0.00001  -0.00006   0.00008   0.00001   2.07467
   R34        2.08348   0.00000  -0.00007   0.00009   0.00002   2.08350
   R35        2.34888   0.00000  -0.00005   0.00003  -0.00002   2.34885
   R36        2.57145   0.00003   0.00014  -0.00010   0.00005   2.57150
   R37        2.09408   0.00001  -0.00002   0.00003   0.00001   2.09409
   R38        2.76856   0.00000  -0.00007   0.00007   0.00001   2.76857
   R39        2.76487   0.00002   0.00022  -0.00021   0.00003   2.76490
   R40        2.08161   0.00003   0.00007  -0.00005   0.00002   2.08164
   R41        2.08400   0.00000   0.00001  -0.00003  -0.00001   2.08399
   R42        2.07426  -0.00001   0.00004  -0.00004   0.00000   2.07426
   R43        2.08318   0.00001   0.00001  -0.00004  -0.00003   2.08315
   R44        2.08353  -0.00003  -0.00018   0.00018   0.00001   2.08354
   R45        2.07664  -0.00001   0.00004  -0.00002   0.00002   2.07666
   R46        2.34852   0.00002  -0.00003   0.00007   0.00004   2.34856
   R47        2.57164   0.00005   0.00025  -0.00017   0.00006   2.57170
   R48        2.09348   0.00000   0.00003  -0.00003   0.00000   2.09348
   R49        2.76464   0.00003   0.00047  -0.00039   0.00006   2.76469
   R50        2.76856  -0.00001   0.00038  -0.00027   0.00010   2.76867
   R51        2.08435   0.00000  -0.00002   0.00003   0.00001   2.08436
   R52        2.08256  -0.00001  -0.00006   0.00003  -0.00005   2.08251
   R53        2.07601   0.00000  -0.00002   0.00002  -0.00001   2.07600
   R54        2.08525  -0.00001  -0.00008   0.00007  -0.00001   2.08524
   R55        2.07361   0.00001   0.00012  -0.00011   0.00001   2.07362
   R56        2.07817   0.00001  -0.00010   0.00003  -0.00007   2.07810
   R57        2.34826  -0.00012   0.00010   0.00010   0.00020   2.34846
   R58        2.57199  -0.00001   0.00034  -0.00021   0.00012   2.57212
   R59        2.09579   0.00001  -0.00004   0.00011   0.00007   2.09586
   R60        2.76945  -0.00002   0.00013  -0.00064  -0.00055   2.76890
   R61        2.76572  -0.00009  -0.00004   0.00024   0.00020   2.76592
   R62        2.07504  -0.00001  -0.00008   0.00008   0.00000   2.07503
   R63        2.08392   0.00000   0.00005   0.00003   0.00008   2.08400
   R64        2.07909   0.00011   0.00111  -0.00080   0.00024   2.07932
   R65        2.07606  -0.00001   0.00000  -0.00002  -0.00001   2.07604
   R66        2.08430  -0.00001  -0.00050   0.00040  -0.00010   2.08420
   R67        2.08296  -0.00001   0.00008  -0.00013  -0.00006   2.08291
    A1        0.67963   0.00000  -0.00010   0.00009  -0.00001   0.67961
    A2        0.95580   0.00002  -0.00031   0.00050   0.00019   0.95599
    A3        0.72747  -0.00001   0.00041  -0.00047  -0.00006   0.72741
    A4        1.01929  -0.00001   0.00032  -0.00054  -0.00022   1.01907
    A5        2.34263   0.00000  -0.00007   0.00091   0.00084   2.34347
    A6        2.02450  -0.00001  -0.00132   0.00196   0.00064   2.02514
    A7        1.98136  -0.00001  -0.00307   0.00332   0.00024   1.98161
    A8        1.68813  -0.00001  -0.00356   0.00362   0.00005   1.68818
    A9        1.65414  -0.00001  -0.00076   0.00145   0.00068   1.65481
   A10        1.37302  -0.00001  -0.00107   0.00171   0.00063   1.37365
   A11        1.73182   0.00000   0.00160  -0.00150   0.00010   1.73192
   A12        2.03657   0.00000   0.00152  -0.00146   0.00005   2.03662
   A13        1.94121  -0.00001   0.00114  -0.00124  -0.00010   1.94112
   A14        2.02560  -0.00001   0.00289  -0.00249   0.00040   2.02599
   A15        2.43145   0.00000   0.00182  -0.00170   0.00013   2.43157
   A16        1.56765   0.00003  -0.00614   0.00498  -0.00116   1.56649
   A17        1.77230   0.00002  -0.00415   0.00258  -0.00157   1.77073
   A18        1.55818   0.00002  -0.00086  -0.00085  -0.00173   1.55645
   A19        1.70037   0.00003  -0.00056  -0.00206  -0.00261   1.69777
   A20        2.18122   0.00000  -0.00337   0.00181  -0.00156   2.17966
   A21        2.39914   0.00000  -0.00252   0.00039  -0.00213   2.39701
   A22        0.64244   0.00001  -0.00032   0.00020  -0.00012   0.64233
   A23        0.65910   0.00000  -0.00009  -0.00020  -0.00029   0.65880
   A24        2.39195   0.00000   0.00025   0.00070   0.00095   2.39290
   A25        2.22080   0.00000  -0.00172   0.00249   0.00077   2.22157
   A26        2.32244  -0.00001  -0.00334   0.00368   0.00033   2.32277
   A27        2.05845  -0.00001  -0.00390   0.00393   0.00002   2.05847
   A28        1.81362  -0.00001  -0.00189   0.00258   0.00068   1.81430
   A29        1.57330  -0.00001  -0.00228   0.00295   0.00066   1.57395
   A30        1.33893   0.00000   0.00154  -0.00131   0.00023   1.33916
   A31        1.63777   0.00000   0.00125  -0.00119   0.00006   1.63783
   A32        1.58664  -0.00001   0.00068  -0.00096  -0.00028   1.58636
   A33        1.73519   0.00000   0.00237  -0.00225   0.00011   1.73531
   A34        2.03499   0.00000   0.00173  -0.00150   0.00022   2.03522
   A35        1.82592   0.00003  -0.00653   0.00574  -0.00079   1.82513
   A36        1.90062   0.00001  -0.00397   0.00281  -0.00117   1.89945
   A37        1.55847   0.00002  -0.00162   0.00045  -0.00120   1.55728
   A38        1.58046   0.00002  -0.00120  -0.00095  -0.00215   1.57830
   A39        2.26545   0.00000  -0.00158   0.00031  -0.00126   2.26419
   A40        2.35627   0.00000  -0.00055  -0.00130  -0.00185   2.35442
   A41        0.68844   0.00000  -0.00030   0.00016  -0.00014   0.68830
   A42        0.74533  -0.00001  -0.00051  -0.00013  -0.00064   0.74469
   A43        2.65542   0.00000   0.00045   0.00019   0.00064   2.65606
   A44        2.59868   0.00000  -0.00200   0.00268   0.00068   2.59936
   A45        2.65959  -0.00001  -0.00301   0.00323   0.00021   2.65980
   A46        2.35514  -0.00001  -0.00305   0.00312   0.00007   2.35521
   A47        2.19157  -0.00001  -0.00231   0.00288   0.00057   2.19213
   A48        1.95797  -0.00001  -0.00252   0.00311   0.00058   1.95854
   A49        1.09544  -0.00001   0.00109  -0.00138  -0.00029   1.09515
   A50        1.45532   0.00000   0.00078  -0.00123  -0.00044   1.45488
   A51        1.55449  -0.00001   0.00027  -0.00108  -0.00082   1.55368
   A52        1.78720  -0.00001   0.00172  -0.00217  -0.00047   1.78673
   A53        1.78300  -0.00001   0.00140  -0.00154  -0.00014   1.78286
   A54        1.68198   0.00003  -0.00644   0.00638  -0.00006   1.68192
   A55        1.62853   0.00002  -0.00350   0.00290  -0.00061   1.62793
   A56        1.23348   0.00002  -0.00183   0.00118  -0.00068   1.23280
   A57        1.20674   0.00001  -0.00115  -0.00074  -0.00188   1.20486
   A58        1.93481   0.00000  -0.00051  -0.00037  -0.00087   1.93394
   A59        1.97939   0.00000   0.00000  -0.00164  -0.00164   1.97775
   A60        0.84053   0.00000  -0.00030  -0.00029  -0.00058   0.83995
   A61        0.77644  -0.00001  -0.00049  -0.00088  -0.00136   0.77508
   A62        2.59832  -0.00001   0.00107  -0.00156  -0.00049   2.59784
   A63        2.76530   0.00000  -0.00173   0.00168  -0.00005   2.76526
   A64        2.61278   0.00001  -0.00264   0.00320   0.00056   2.61334
   A65        2.39111  -0.00001  -0.00275   0.00277   0.00001   2.39112
   A66        2.19710   0.00000  -0.00298   0.00326   0.00028   2.19738
   A67        0.85405  -0.00002   0.00103  -0.00210  -0.00107   0.85298
   A68        1.23040  -0.00002   0.00078  -0.00199  -0.00122   1.22918
   A69        1.40879  -0.00002   0.00031  -0.00205  -0.00175   1.40704
   A70        1.67784  -0.00002   0.00149  -0.00296  -0.00148   1.67636
   A71        1.52084  -0.00002   0.00150  -0.00212  -0.00062   1.52023
   A72        1.69602   0.00004  -0.00613   0.00729   0.00116   1.69718
   A73        1.53872   0.00002  -0.00315   0.00366   0.00050   1.53922
   A74        1.11242   0.00002  -0.00242   0.00293   0.00049   1.11291
   A75        1.00896   0.00001  -0.00157   0.00059  -0.00098   1.00798
   A76        1.76921   0.00000   0.00031  -0.00039  -0.00007   1.76914
   A77        1.75569   0.00000   0.00058  -0.00168  -0.00110   1.75459
   A78        1.99356   0.00001   0.00047   0.00044   0.00091   1.99447
   A79        1.93815   0.00000  -0.00165   0.00243   0.00077   1.93892
   A80        2.21759   0.00000  -0.00321   0.00369   0.00048   2.21807
   A81        2.07614  -0.00001  -0.00449   0.00448  -0.00002   2.07613
   A82        1.55065  -0.00001  -0.00247   0.00306   0.00058   1.55123
   A83        1.38473  -0.00001  -0.00304   0.00362   0.00057   1.38530
   A84        1.19883   0.00000   0.00185  -0.00102   0.00083   1.19966
   A85        1.38334   0.00001   0.00150  -0.00098   0.00052   1.38385
   A86        1.21485  -0.00001   0.00076  -0.00074   0.00001   1.21487
   A87        1.31716   0.00000   0.00241  -0.00214   0.00027   1.31743
   A88        1.80963   0.00000   0.00190  -0.00127   0.00062   1.81025
   A89        2.25762   0.00002  -0.00642   0.00552  -0.00089   2.25673
   A90        2.31028   0.00001  -0.00390   0.00298  -0.00093   2.30935
   A91        1.92111   0.00001  -0.00221   0.00148  -0.00075   1.92036
   A92        1.84878   0.00001  -0.00194   0.00048  -0.00145   1.84733
   A93        2.60925   0.00000  -0.00013  -0.00062  -0.00073   2.60852
   A94        2.54824   0.00000   0.00129  -0.00214  -0.00083   2.54741
   A95        1.91113   0.00001   0.00102   0.00024   0.00126   1.91239
   A96        1.99146   0.00001  -0.00110   0.00233   0.00122   1.99269
   A97        2.36806   0.00000  -0.00226   0.00329   0.00102   2.36908
   A98        2.32357  -0.00001  -0.00414   0.00452   0.00038   2.32395
   A99        1.66362   0.00000  -0.00244   0.00341   0.00097   1.66459
   A100       1.57089  -0.00001  -0.00303   0.00397   0.00093   1.57182
   A101       0.89203   0.00000   0.00172  -0.00098   0.00074   0.89277
   A102       1.06107   0.00001   0.00144  -0.00096   0.00048   1.06155
   A103       0.92961   0.00000   0.00078  -0.00074   0.00004   0.92965
   A104       1.08717   0.00000   0.00241  -0.00206   0.00035   1.08752
   A105       1.48726   0.00000   0.00184  -0.00125   0.00059   1.48786
   A106       2.42679   0.00002  -0.00695   0.00621  -0.00075   2.42604
   A107       2.31259   0.00001  -0.00351   0.00280  -0.00071   2.31189
   A108       1.88238   0.00001  -0.00310   0.00252  -0.00060   1.88178
   A109       1.71559   0.00000  -0.00267   0.00147  -0.00120   1.71439
   A110       2.44917   0.00000   0.00132  -0.00173  -0.00038   2.44879
   A111       2.28533   0.00000   0.00182  -0.00237  -0.00054   2.28479
   A112       0.71379   0.00000  -0.00024   0.00025   0.00001   0.71380
   A113       1.00524   0.00001  -0.00032   0.00024  -0.00008   1.00516
   A114       0.69522   0.00001   0.00016  -0.00006   0.00010   0.69532
   A115       0.98265   0.00000   0.00024  -0.00011   0.00014   0.98279
   A116       1.80595   0.00001   0.00077   0.00006   0.00083   1.80677
   A117       1.42439   0.00000   0.00085  -0.00007   0.00078   1.42517
   A118       1.19211   0.00001   0.00086   0.00037   0.00124   1.19335
   A119       0.92060   0.00001  -0.00046   0.00145   0.00100   0.92160
   A120       1.24895   0.00000   0.00034  -0.00017   0.00017   1.24912
   A121       1.94275  -0.00003   0.00583  -0.00644  -0.00060   1.94214
   A122       1.97888  -0.00002   0.00348  -0.00343   0.00006   1.97894
   A123       2.32943  -0.00002   0.00128  -0.00094   0.00037   2.32980
   A124       2.23949  -0.00002   0.00065   0.00107   0.00172   2.24122
   A125       1.62551   0.00000   0.00142  -0.00110   0.00033   1.62584
   A126       1.49632   0.00000   0.00139  -0.00025   0.00114   1.49746
   A127       0.65590   0.00000  -0.00023   0.00003  -0.00020   0.65571
   A128       0.66052   0.00000   0.00016  -0.00011   0.00006   0.66057
   A129       2.17014   0.00002   0.00012   0.00094   0.00106   2.17119
   A130       1.79694   0.00001   0.00026   0.00064   0.00090   1.79784
   A131       1.50497   0.00001  -0.00024   0.00151   0.00129   1.50626
   A132       1.21391   0.00001  -0.00114   0.00220   0.00108   1.21499
   A133       1.64210   0.00001   0.00029  -0.00009   0.00021   1.64231
   A134       1.78827  -0.00003   0.00675  -0.00781  -0.00104   1.78723
   A135       1.97838  -0.00002   0.00474  -0.00520  -0.00045   1.97793
   A136       2.40546  -0.00002   0.00415  -0.00461  -0.00044   2.40502
   A137       2.47770  -0.00001   0.00317  -0.00199   0.00118   2.47887
   A138       1.73468   0.00000   0.00201  -0.00197   0.00004   1.73473
   A139       1.70430   0.00000   0.00207  -0.00109   0.00099   1.70529
   A140       0.70444   0.00000   0.00018  -0.00013   0.00005   0.70449
   A141       0.83289   0.00000  -0.00015   0.00005  -0.00009   0.83280
   A142       2.49716   0.00002   0.00117  -0.00059   0.00058   2.49774
   A143       2.11710   0.00001   0.00121  -0.00052   0.00070   2.11780
   A144       1.90131   0.00001   0.00032   0.00093   0.00125   1.90256
   A145       1.61861   0.00001  -0.00097   0.00199   0.00103   1.61964
   A146       1.83449   0.00001   0.00135  -0.00130   0.00006   1.83455
   A147       1.36247  -0.00003   0.00684  -0.00787  -0.00102   1.36145
   A148       1.59156  -0.00001   0.00502  -0.00562  -0.00059   1.59097
   A149       2.02148  -0.00001   0.00505  -0.00577  -0.00071   2.02078
   A150       2.19489   0.00000   0.00509  -0.00466   0.00043   2.19531
   A151       1.43738   0.00000   0.00223  -0.00238  -0.00014   1.43723
   A152       1.50602   0.00000   0.00253  -0.00181   0.00072   1.50674
   A153       0.76552   0.00000  -0.00020   0.00000  -0.00021   0.76531
   A154       0.76717   0.00000  -0.00067   0.00025  -0.00042   0.76675
   A155       2.80880   0.00002   0.00082  -0.00016   0.00065   2.80945
   A156       2.42614   0.00001   0.00088  -0.00021   0.00068   2.42682
   A157       2.15984   0.00001  -0.00062   0.00168   0.00107   2.16091
   A158       1.86756   0.00001  -0.00147   0.00231   0.00086   1.86841
   A159       2.14492   0.00001   0.00160  -0.00152   0.00008   2.14500
   A160       1.22343  -0.00002   0.00697  -0.00796  -0.00098   1.22246
   A161       1.53854  -0.00001   0.00533  -0.00595  -0.00061   1.53794
   A162       1.93722  -0.00001   0.00604  -0.00690  -0.00083   1.93639
   A163       2.19374   0.00001   0.00622  -0.00631  -0.00008   2.19366
   A164       1.50893   0.00001   0.00253  -0.00265  -0.00012   1.50880
   A165       1.65573   0.00001   0.00292  -0.00228   0.00065   1.65638
   A166       2.16192   0.00001  -0.00135   0.00268   0.00134   2.16326
   A167       1.86296   0.00001  -0.00112   0.00208   0.00097   1.86393
   A168       1.47864   0.00000  -0.00173   0.00278   0.00106   1.47970
   A169       1.19933   0.00000  -0.00168   0.00257   0.00091   1.20024
   A170       1.86921   0.00001  -0.00062   0.00094   0.00033   1.86953
   A171       1.98814  -0.00002   0.00669  -0.00792  -0.00120   1.98694
   A172       2.28609  -0.00001   0.00522  -0.00590  -0.00066   2.28543
   A173       2.70205  -0.00001   0.00579  -0.00680  -0.00099   2.70106
   A174       2.12216   0.00001   0.00236  -0.00232   0.00005   2.12221
   A175       2.11187   0.00001   0.00233  -0.00124   0.00110   2.11297
   A176       2.27002   0.00000  -0.00164   0.00324   0.00160   2.27162
   A177       2.05035   0.00000  -0.00134   0.00249   0.00116   2.05151
   A178       1.64123   0.00000  -0.00194   0.00303   0.00110   1.64233
   A179       1.38962   0.00000  -0.00132   0.00229   0.00099   1.39061
   A180       2.13500   0.00000  -0.00063   0.00112   0.00050   2.13550
   A181       1.91572  -0.00001   0.00528  -0.00684  -0.00152   1.91420
   A182       2.28333   0.00000   0.00430  -0.00551  -0.00119   2.28214
   A183       2.60178   0.00000   0.00500  -0.00665  -0.00163   2.60015
   A184       2.26013   0.00001   0.00201  -0.00239  -0.00038   2.25976
   A185       2.32964   0.00001   0.00236  -0.00158   0.00079   2.33044
   A186       0.69154   0.00001   0.00039  -0.00026   0.00011   0.69165
   A187       0.98195   0.00001   0.00080  -0.00054   0.00024   0.98219
   A188       0.70031   0.00000   0.00020  -0.00017   0.00003   0.70034
   A189       2.09706   0.00000  -0.00385   0.00377  -0.00008   2.09698
   A190       1.72394   0.00000  -0.00221   0.00189  -0.00032   1.72362
   A191       1.39080   0.00000  -0.00409   0.00402  -0.00008   1.39071
   A192       1.08805  -0.00002  -0.00388   0.00349  -0.00041   1.08764
   A193       1.62098  -0.00001   0.00088  -0.00147  -0.00059   1.62038
   A194       1.40212   0.00000   0.00044  -0.00148  -0.00104   1.40108
   A195       0.66645   0.00000   0.00032  -0.00021   0.00010   0.66655
   A196       2.25047   0.00000  -0.00109   0.00153   0.00046   2.25092
   A197       1.85509   0.00000  -0.00061   0.00096   0.00035   1.85544
   A198       1.63031   0.00000  -0.00349   0.00399   0.00049   1.63080
   A199       1.31178  -0.00002  -0.00323   0.00380   0.00055   1.31233
   A200       1.61278   0.00000   0.00185  -0.00169   0.00015   1.61293
   A201       1.34013   0.00000   0.00133  -0.00140  -0.00008   1.34005
   A202       0.70935   0.00001   0.00084  -0.00054   0.00029   0.70964
   A203       2.63868   0.00000   0.00100  -0.00019   0.00086   2.63954
   A204       2.25250   0.00000   0.00051   0.00020   0.00073   2.25323
   A205       2.04017   0.00000  -0.00310   0.00364   0.00053   2.04070
   A206       1.72210  -0.00002  -0.00281   0.00339   0.00055   1.72265
   A207       1.95241   0.00001   0.00277  -0.00201   0.00075   1.95316
   A208       1.66575   0.00001   0.00223  -0.00152   0.00071   1.66646
   A209       0.83486   0.00000  -0.00050   0.00048  -0.00003   0.83483
   A210       2.68783  -0.00002   0.00287  -0.00214   0.00076   2.68859
   A211       2.38517   0.00000   0.00044   0.00040   0.00086   2.38603
   A212       2.28456   0.00000  -0.00320   0.00395   0.00073   2.28529
   A213       1.96851  -0.00002  -0.00293   0.00384   0.00088   1.96939
   A214       2.01041   0.00001   0.00124  -0.00043   0.00079   2.01120
   A215       1.73011   0.00001   0.00077   0.00015   0.00091   1.73102
   A216       1.93297  -0.00001   0.00092  -0.00025   0.00066   1.93363
   A217       1.56403   0.00000   0.00054   0.00019   0.00073   1.56476
   A218       1.48440  -0.00001  -0.00235   0.00339   0.00103   1.48543
   A219       1.19239  -0.00002  -0.00197   0.00354   0.00154   1.19393
   A220       1.24351   0.00000   0.00190  -0.00147   0.00042   1.24392
   A221       0.95781   0.00000   0.00132  -0.00102   0.00030   0.95811
   A222       0.71782   0.00001  -0.00061   0.00072   0.00009   0.71791
   A223       1.00936   0.00002  -0.00009   0.00046   0.00037   1.00974
   A224       0.69819  -0.00002  -0.00009   0.00021   0.00010   0.69829
   A225       0.98526  -0.00002   0.00033  -0.00023   0.00009   0.98535
   A226       0.65674   0.00001   0.00100  -0.00058   0.00042   0.65717
   A227       0.66573  -0.00001   0.00030  -0.00045  -0.00015   0.66558
   A228       0.70858  -0.00002   0.00050  -0.00058  -0.00009   0.70849
   A229       0.84641  -0.00001  -0.00095   0.00045  -0.00051   0.84590
   A230       0.76341  -0.00001   0.00241  -0.00164   0.00075   0.76416
   A231       0.77581  -0.00002   0.00068  -0.00034   0.00031   0.77612
   A232       1.58363   0.00006  -0.00221   0.00569   0.00347   1.58710
   A233       1.86863  -0.00001  -0.00039  -0.00405  -0.00444   1.86419
   A234       2.19016   0.00003  -0.00019   0.00046   0.00027   2.19043
   A235       2.12887  -0.00001   0.00037  -0.00044  -0.00008   2.12879
   A236       1.96378  -0.00001  -0.00017  -0.00006  -0.00023   1.96355
   A237       2.12372   0.00002   0.00002   0.00024   0.00023   2.12395
   A238       2.12637  -0.00001   0.00020   0.00006   0.00025   2.12662
   A239       2.03242  -0.00001  -0.00036  -0.00001  -0.00037   2.03204
   A240       1.83602   0.00000   0.00037  -0.00188  -0.00151   1.83451
   A241       2.53823   0.00000  -0.00004   0.00179   0.00174   2.53998
   A242       1.91387  -0.00001  -0.00007   0.00005  -0.00003   1.91384
   A243       1.91685  -0.00001  -0.00091   0.00079  -0.00010   1.91675
   A244       1.91601   0.00001   0.00002  -0.00045  -0.00042   1.91559
   A245       1.90938   0.00003  -0.00024   0.00073   0.00049   1.90987
   A246       1.90832   0.00000  -0.00032   0.00016  -0.00016   1.90817
   A247       1.89929  -0.00002   0.00153  -0.00129   0.00023   1.89951
   A248       1.27896   0.00002  -0.00039  -0.00159  -0.00199   1.27698
   A249       1.90459  -0.00001  -0.00037  -0.00021  -0.00058   1.90401
   A250       1.90932   0.00001   0.00022  -0.00008   0.00014   1.90945
   A251       1.92784   0.00000  -0.00006   0.00024   0.00019   1.92803
   A252       1.91092   0.00001   0.00018   0.00001   0.00020   1.91112
   A253       1.89816   0.00001  -0.00018   0.00036   0.00018   1.89834
   A254       1.91289  -0.00001   0.00020  -0.00033  -0.00013   1.91276
   A255       1.71896   0.00003   0.00246  -0.00166   0.00080   1.71977
   A256       1.76856  -0.00003  -0.00162   0.00009  -0.00153   1.76703
   A257       2.19070   0.00002   0.00003   0.00008   0.00011   2.19081
   A258       2.13005   0.00000  -0.00016   0.00015  -0.00001   2.13004
   A259       1.96223  -0.00001   0.00013  -0.00024  -0.00011   1.96212
   A260       2.12495   0.00000  -0.00022   0.00028   0.00006   2.12501
   A261       2.12320   0.00000   0.00020  -0.00033  -0.00012   2.12308
   A262       2.03473   0.00001   0.00005   0.00000   0.00004   2.03477
   A263       1.34993   0.00000  -0.00129   0.00027  -0.00102   1.34891
   A264       1.90062  -0.00002  -0.00043   0.00022  -0.00021   1.90041
   A265       1.93115   0.00001   0.00033  -0.00020   0.00013   1.93128
   A266       1.91013  -0.00001   0.00011  -0.00018  -0.00007   1.91007
   A267       1.89712   0.00001   0.00021  -0.00014   0.00007   1.89718
   A268       1.91311   0.00001  -0.00017   0.00015  -0.00002   1.91309
   A269       1.91158   0.00000  -0.00006   0.00015   0.00009   1.91167
   A270       2.66483   0.00001   0.00185  -0.00106   0.00079   2.66562
   A271       1.69861  -0.00001  -0.00195   0.00110  -0.00085   1.69776
   A272       1.92453   0.00000   0.00035  -0.00023   0.00013   1.92465
   A273       1.91293   0.00001  -0.00008   0.00013   0.00005   1.91298
   A274       1.91346   0.00001  -0.00009   0.00003  -0.00006   1.91340
   A275       1.89434   0.00001   0.00001  -0.00008  -0.00008   1.89426
   A276       1.91101   0.00000  -0.00003   0.00000  -0.00004   1.91097
   A277       1.90739  -0.00002  -0.00016   0.00016  -0.00001   1.90739
   A278       1.79813   0.00004   0.00428  -0.00282   0.00146   1.79959
   A279       1.75817  -0.00004  -0.00318   0.00202  -0.00115   1.75701
   A280       2.18996   0.00001  -0.00009   0.00026   0.00017   2.19012
   A281       2.13035   0.00000   0.00007  -0.00019  -0.00012   2.13023
   A282       1.96280  -0.00002   0.00001  -0.00007  -0.00005   1.96275
   A283       2.12316  -0.00002  -0.00003  -0.00004  -0.00008   2.12309
   A284       2.11638  -0.00001  -0.00019  -0.00010  -0.00029   2.11609
   A285       2.04093   0.00003   0.00020   0.00015   0.00036   2.04128
   A286       2.68893   0.00006   0.00708  -0.00490   0.00218   2.69111
   A287       1.67027  -0.00005  -0.00672   0.00472  -0.00200   1.66827
   A288       1.92541   0.00001   0.00026   0.00001   0.00029   1.92570
   A289       1.91564   0.00000  -0.00016   0.00019   0.00002   1.91566
   A290       1.91281  -0.00001  -0.00049   0.00023  -0.00025   1.91256
   A291       1.89048   0.00002   0.00052  -0.00041   0.00011   1.89060
   A292       1.91285  -0.00001  -0.00021   0.00006  -0.00015   1.91270
   A293       1.90642  -0.00001   0.00008  -0.00010  -0.00001   1.90641
   A294       1.36172  -0.00002  -0.00742   0.00455  -0.00288   1.35884
   A295       1.14589   0.00002   0.00524  -0.00308   0.00217   1.14805
   A296       1.93143   0.00001   0.00074  -0.00040   0.00033   1.93176
   A297       1.90697  -0.00001  -0.00020  -0.00013  -0.00033   1.90664
   A298       1.90293   0.00000  -0.00086   0.00073  -0.00013   1.90280
   A299       1.90987   0.00001  -0.00023   0.00012  -0.00010   1.90977
   A300       1.89728  -0.00001   0.00084  -0.00049   0.00035   1.89763
   A301       1.91529   0.00000  -0.00030   0.00017  -0.00012   1.91517
   A302       1.71039  -0.00007   0.00436  -0.00500  -0.00066   1.70974
   A303       1.77298   0.00002   0.00042  -0.00133  -0.00092   1.77206
   A304       2.19100  -0.00006   0.00040  -0.00057  -0.00013   2.19087
   A305       2.13009   0.00001  -0.00049   0.00084   0.00032   2.13041
   A306       1.96181   0.00004   0.00011  -0.00029  -0.00020   1.96162
   A307       2.12273   0.00004   0.00090  -0.00070   0.00013   2.12286
   A308       2.12335  -0.00002  -0.00084   0.00074  -0.00005   2.12329
   A309       2.03626  -0.00002   0.00009  -0.00029  -0.00019   2.03607
   A310       1.31308  -0.00005   0.00991  -0.00609   0.00378   1.31687
   A311       3.04503   0.00003  -0.01077   0.00659  -0.00424   3.04079
   A312       1.90997  -0.00002  -0.00156   0.00147  -0.00007   1.90990
   A313       1.93271  -0.00002  -0.00234   0.00100  -0.00108   1.93163
   A314       1.90122   0.00001   0.00036   0.00039   0.00082   1.90204
   A315       1.91060   0.00002   0.00164  -0.00128   0.00023   1.91083
   A316       1.91116  -0.00001   0.00106  -0.00097   0.00003   1.91119
   A317       1.89803   0.00002   0.00087  -0.00064   0.00008   1.89811
   A318       1.73700   0.00001  -0.00783   0.00587  -0.00197   1.73504
   A319       1.91419  -0.00002  -0.00017   0.00012  -0.00005   1.91414
   A320       1.91485   0.00003   0.00031  -0.00045  -0.00014   1.91471
   A321       1.92346  -0.00001   0.00034  -0.00017   0.00017   1.92363
   A322       1.90544   0.00000  -0.00058   0.00027  -0.00031   1.90513
   A323       1.91080   0.00000   0.00019   0.00000   0.00019   1.91099
   A324       1.89490   0.00000  -0.00009   0.00023   0.00015   1.89504
   A325       2.93717   0.00001  -0.00338   0.00381   0.00043   2.93760
   A326       3.35451   0.00001  -0.00133  -0.00061  -0.00193   3.35258
   A327       3.07340   0.00002  -0.00163  -0.00035  -0.00198   3.07142
   A328       3.19185   0.00001  -0.00020  -0.00192  -0.00212   3.18973
   A329       3.26151   0.00000  -0.00135   0.00042  -0.00093   3.26058
   A330       3.27159  -0.00001  -0.00765   0.00467  -0.00298   3.26861
   A331       3.64780   0.00001  -0.00764   0.00587  -0.00178   3.64602
   A332       3.21476  -0.00001  -0.00197   0.00140  -0.00057   3.21418
   A333       2.99294   0.00001   0.00516  -0.00603  -0.00087   2.99208
   A334       2.92709   0.00001   0.00584  -0.00678  -0.00093   2.92616
   A335       3.22842   0.00000   0.00153  -0.00356  -0.00203   3.22639
   A336       3.07865   0.00000   0.00097  -0.00048   0.00049   3.07914
   A337       3.09986   0.00001   0.00285  -0.00157   0.00128   3.10113
   A338       3.03836   0.00002  -0.00103   0.00085  -0.00018   3.03817
    D1        2.75937   0.00000  -0.00006  -0.00110  -0.00116   2.75821
    D2       -1.36113   0.00000  -0.00061  -0.00032  -0.00093  -1.36206
    D3        2.78503  -0.00002   0.00045  -0.00248  -0.00203   2.78300
    D4       -1.33547  -0.00001  -0.00009  -0.00170  -0.00179  -1.33727
    D5        1.66407   0.00000   0.00072  -0.00171  -0.00099   1.66308
    D6       -2.45644   0.00001   0.00018  -0.00093  -0.00075  -2.45719
    D7        1.84646   0.00000   0.00112  -0.00150  -0.00038   1.84609
    D8       -2.27404   0.00001   0.00058  -0.00072  -0.00014  -2.27418
    D9        0.32753  -0.00001  -0.00083  -0.00071  -0.00154   0.32599
   D10        2.49021   0.00000  -0.00137   0.00007  -0.00130   2.48890
   D11        0.04005  -0.00001   0.00168  -0.00315  -0.00147   0.03858
   D12        2.20273   0.00000   0.00114  -0.00237  -0.00123   2.20150
   D13       -0.42972  -0.00001   0.00242  -0.00388  -0.00146  -0.43118
   D14        1.73296   0.00000   0.00188  -0.00310  -0.00122   1.73173
   D15       -0.55105  -0.00001   0.00377  -0.00470  -0.00093  -0.55199
   D16        1.61163   0.00000   0.00323  -0.00393  -0.00070   1.61093
   D17        0.21781  -0.00001   0.00351  -0.00459  -0.00109   0.21673
   D18        2.38049   0.00000   0.00297  -0.00382  -0.00085   2.37964
   D19        0.15196   0.00000   0.00419  -0.00534  -0.00116   0.15081
   D20        2.31464   0.00001   0.00364  -0.00456  -0.00092   2.31372
   D21        2.40750   0.00000   0.00226  -0.00177   0.00049   2.40800
   D22       -1.71300   0.00001   0.00171  -0.00099   0.00073  -1.71227
   D23        2.16275  -0.00001   0.00221  -0.00178   0.00043   2.16318
   D24       -1.95775   0.00000   0.00167  -0.00101   0.00067  -1.95708
   D25        1.72194  -0.00001   0.00142  -0.00112   0.00031   1.72224
   D26       -2.39857   0.00000   0.00088  -0.00034   0.00054  -2.39803
   D27        1.41539  -0.00001   0.00096  -0.00076   0.00023   1.41561
   D28       -2.70512   0.00000   0.00042   0.00002   0.00046  -2.70465
   D29        2.37060  -0.00001   0.00289  -0.00232   0.00058   2.37118
   D30       -1.74990   0.00000   0.00235  -0.00154   0.00081  -1.74909
   D31       -1.77158   0.00001  -0.00265   0.00286   0.00020  -1.77138
   D32        0.39110   0.00002  -0.00319   0.00364   0.00044   0.39153
   D33       -2.11279   0.00000  -0.00051   0.00038  -0.00014  -2.11293
   D34        0.04989   0.00001  -0.00106   0.00115   0.00010   0.04999
   D35       -2.48937   0.00000  -0.00211   0.00223   0.00011  -2.48925
   D36       -0.32669   0.00001  -0.00265   0.00301   0.00035  -0.32634
   D37       -2.77513  -0.00002  -0.00165   0.00144  -0.00022  -2.77535
   D38       -0.61245  -0.00001  -0.00219   0.00222   0.00001  -0.61244
   D39       -2.12833  -0.00001   0.00356  -0.00420  -0.00063  -2.12896
   D40        0.03435   0.00000   0.00302  -0.00342  -0.00040   0.03396
   D41       -2.37950   0.00000   0.00442  -0.00555  -0.00112  -2.38061
   D42       -0.21681   0.00000   0.00388  -0.00477  -0.00088  -0.21770
   D43        1.25882   0.00001  -0.00089   0.00181   0.00092   1.25974
   D44       -1.92868   0.00001  -0.00060   0.00451   0.00391  -1.92477
   D45        2.45474  -0.00001   0.00018   0.00076   0.00094   2.45568
   D46       -0.73276  -0.00001   0.00047   0.00346   0.00393  -0.72883
   D47        2.94155  -0.00001   0.00058   0.00080   0.00137   2.94292
   D48       -0.24595  -0.00001   0.00087   0.00350   0.00436  -0.24159
   D49        2.86288   0.00000  -0.00178   0.00398   0.00220   2.86508
   D50       -0.32462   0.00000  -0.00149   0.00668   0.00518  -0.31943
   D51        2.05261  -0.00001   0.00036   0.00072   0.00107   2.05367
   D52       -1.13489  -0.00001   0.00065   0.00342   0.00405  -1.13084
   D53        1.16475   0.00000   0.00446  -0.00415   0.00031   1.16506
   D54       -2.02275   0.00000   0.00475  -0.00145   0.00330  -2.01945
   D55        1.02082   0.00000   0.00520  -0.00397   0.00123   1.02206
   D56       -2.16668   0.00000   0.00549  -0.00127   0.00422  -2.16245
   D57        2.02276   0.00000   0.00259  -0.00122   0.00136   2.02412
   D58       -1.16474   0.00000   0.00288   0.00148   0.00435  -1.16039
   D59        1.82820   0.00000   0.00292  -0.00174   0.00116   1.82937
   D60       -1.35929   0.00000   0.00320   0.00096   0.00415  -1.35514
   D61       -2.27540   0.00001   0.00207   0.00067   0.00274  -2.27267
   D62        0.82028   0.00001   0.00236   0.00337   0.00572   0.82601
   D63       -2.41258   0.00000   0.00158   0.00071   0.00228  -2.41030
   D64        0.68310   0.00000   0.00186   0.00341   0.00527   0.68838
   D65       -2.81477  -0.00001   0.00090   0.00112   0.00202  -2.81274
   D66        0.28092  -0.00001   0.00118   0.00382   0.00501   0.28593
   D67       -2.99400   0.00000   0.00168   0.00047   0.00217  -2.99183
   D68        0.10168   0.00000   0.00197   0.00318   0.00516   0.10684
   D69       -2.13834   0.00000   0.00147   0.00061   0.00208  -2.13626
   D70        0.95735   0.00000   0.00176   0.00331   0.00507   0.96241
   D71       -0.16828   0.00000   0.00093   0.00181   0.00273  -0.16555
   D72        2.92741   0.00000   0.00121   0.00451   0.00571   2.93313
   D73       -0.56202   0.00000   0.00134   0.00134   0.00269  -0.55933
   D74        2.53366   0.00000   0.00163   0.00404   0.00568   2.53934
   D75       -0.73747   0.00000  -0.00218   0.00525   0.00308  -0.73439
   D76        2.35822   0.00000  -0.00189   0.00795   0.00607   2.36429
   D77       -1.07564  -0.00002  -0.00215   0.00524   0.00309  -1.07256
   D78        2.02004  -0.00002  -0.00186   0.00794   0.00608   2.02612
   D79       -0.84076   0.00000   0.00391  -0.00154   0.00238  -0.83838
   D80        2.25492   0.00000   0.00420   0.00116   0.00537   2.26029
   D81       -1.14755   0.00000   0.00343  -0.00104   0.00240  -1.14515
   D82        1.94814   0.00000   0.00372   0.00166   0.00539   1.95353
   D83       -1.53513   0.00001  -0.00009  -0.00154  -0.00164  -1.53676
   D84       -2.60995  -0.00001   0.00021  -0.00195  -0.00175  -2.61170
   D85       -2.94629  -0.00003   0.00043  -0.00300  -0.00257  -2.94887
   D86        0.73643   0.00000  -0.00087  -0.00044  -0.00131   0.73512
   D87        0.31325  -0.00001  -0.00030  -0.00120  -0.00150   0.31176
   D88       -0.06049  -0.00001  -0.00121  -0.00063  -0.00184  -0.06233
   D89       -0.39800  -0.00001   0.00039  -0.00197  -0.00158  -0.39958
   D90        0.18405   0.00000   0.00148  -0.00274  -0.00127   0.18279
   D91       -0.05369   0.00000   0.00165  -0.00295  -0.00132  -0.05501
   D92        2.40611   0.00001   0.00062  -0.00095  -0.00033   2.40577
   D93        2.05644   0.00000   0.00072  -0.00117  -0.00044   2.05600
   D94        1.66402   0.00000   0.00056  -0.00092  -0.00035   1.66367
   D95        1.37602   0.00000   0.00061  -0.00108  -0.00046   1.37556
   D96        2.05718   0.00000   0.00033  -0.00109  -0.00075   2.05643
   D97       -1.91933   0.00001  -0.00242   0.00272   0.00024  -1.91909
   D98       -2.44091   0.00000   0.00123  -0.00074   0.00049  -2.44042
   D99       -2.66080   0.00000  -0.00208   0.00251   0.00042  -2.66038
   D100      -2.98720  -0.00002  -0.00164   0.00244   0.00077  -2.98643
   D101      -2.89609   0.00001   0.00724  -0.00604   0.00124  -2.89485
   D102       2.85543   0.00001   0.00513  -0.00320   0.00194   2.85737
   D103      -2.90648   0.00000   0.00747  -0.00664   0.00083  -2.90565
   D104       1.19086   0.00000   0.00730  -0.00626   0.00105   1.19190
   D105       2.80552   0.00001   0.00715  -0.00679   0.00036   2.80588
   D106       0.61967   0.00001   0.00699  -0.00641   0.00058   0.62025
   D107       2.30809   0.00000   0.00777  -0.00832  -0.00055   2.30754
   D108       0.12224   0.00000   0.00761  -0.00794  -0.00033   0.12191
   D109       1.75168  -0.00001   0.00714  -0.00765  -0.00050   1.75117
   D110      -0.43417  -0.00001   0.00698  -0.00726  -0.00028  -0.43445
   D111       2.58826   0.00001   0.00642  -0.00607   0.00035   2.58861
   D112       0.40240   0.00001   0.00626  -0.00569   0.00057   0.40298
   D113       2.25152   0.00000   0.00609  -0.00604   0.00005   2.25157
   D114       0.06567   0.00001   0.00592  -0.00565   0.00028   0.06594
   D115      -1.61214  -0.00001   0.00102  -0.00092   0.00010  -1.61204
   D116       2.48519  -0.00001   0.00086  -0.00054   0.00032   2.48551
   D117      -1.77382  -0.00001   0.00066  -0.00082  -0.00016  -1.77397
   D118       2.32352  -0.00001   0.00050  -0.00043   0.00007   2.32358
   D119      -2.73530  -0.00001   0.00064  -0.00056   0.00009  -2.73521
   D120       1.36203  -0.00001   0.00048  -0.00017   0.00031   1.36234
   D121      -2.69915  -0.00001   0.00144  -0.00107   0.00038  -2.69877
   D122       1.39819  -0.00001   0.00128  -0.00068   0.00060   1.39879
   D123       1.32428   0.00000   0.00403  -0.00502  -0.00100   1.32328
   D124      -0.86157   0.00000   0.00386  -0.00464  -0.00077  -0.86235
   D125       1.29387   0.00000   0.00442  -0.00480  -0.00038   1.29350
   D126      -0.89198   0.00000   0.00426  -0.00441  -0.00016  -0.89213
   D127       1.64884   0.00001   0.00504  -0.00500   0.00003   1.64887
   D128      -0.53701   0.00001   0.00487  -0.00462   0.00025  -0.53676
   D129       1.77595   0.00001   0.00330  -0.00342  -0.00014   1.77581
   D130      -0.40990   0.00001   0.00314  -0.00303   0.00009  -0.40982
   D131       0.89371   0.00000   0.00427  -0.00444  -0.00017   0.89354
   D132      -1.29215   0.00001   0.00410  -0.00405   0.00005  -1.29209
   D133      -0.95134   0.00001   0.00451  -0.00563  -0.00109  -0.95243
   D134      -3.13719   0.00001   0.00434  -0.00524  -0.00087  -3.13806
   D135      -0.52457   0.00000   0.00488  -0.00596  -0.00108  -0.52565
   D136      -2.71042   0.00000   0.00472  -0.00557  -0.00086  -2.71128
   D137      -0.21995  -0.00001   0.00875  -0.01048  -0.00174  -0.22169
   D138      -2.40580  -0.00001   0.00859  -0.01009  -0.00152  -2.40732
   D139       0.18590   0.00001   0.00849  -0.00942  -0.00093   0.18497
   D140      -1.99995   0.00001   0.00833  -0.00903  -0.00071  -2.00065
   D141      -0.31134   0.00000   0.00271  -0.00324  -0.00052  -0.31186
   D142      -2.49719   0.00000   0.00255  -0.00286  -0.00030  -2.49749
   D143      -0.05435   0.00000   0.00330  -0.00342  -0.00011  -0.05446
   D144      -2.24020   0.00000   0.00314  -0.00303   0.00011  -2.24009
   D145      -2.47486  -0.00001   0.00451  -0.00295   0.00156  -2.47330
   D146      -2.72666   0.00000   0.00401  -0.00225   0.00177  -2.72490
   D147      -2.41043   0.00000   0.00076   0.00123   0.00199  -2.40845
   D148       3.00178   0.00001   0.00553  -0.00399   0.00154   3.00332
   D149       2.61887   0.00001   0.00704  -0.00544   0.00159   2.62046
   D150       1.51769  -0.00001   0.00098  -0.00047   0.00051   1.51820
   D151       2.61868   0.00000   0.00129  -0.00066   0.00064   2.61932
   D152       2.99274  -0.00001   0.00175  -0.00091   0.00085   2.99359
   D153       1.18159  -0.00001   0.00554  -0.00706  -0.00153   1.18006
   D154       1.24404   0.00000   0.00471  -0.00490  -0.00020   1.24385
   D155       1.63496   0.00001   0.00498  -0.00442   0.00055   1.63551
   D156       1.71338   0.00000   0.00269  -0.00219   0.00049   1.71387
   D157       0.89471   0.00000   0.00379  -0.00359   0.00020   0.89491
   D158      -0.99974   0.00001   0.00153  -0.00181  -0.00027  -1.00001
   D159      -0.67469   0.00000   0.00184  -0.00224  -0.00040  -0.67509
   D160      -0.70744   0.00000   0.00438  -0.00519  -0.00082  -0.70826
   D161      -0.39526   0.00002   0.00494  -0.00675  -0.00178  -0.39704
   D162      -0.29470   0.00000   0.00135  -0.00153  -0.00018  -0.29488
   D163      -0.01411   0.00000   0.00177  -0.00216  -0.00039  -0.01450
   D164      -1.28777   0.00000   0.00537  -0.00379   0.00158  -1.28620
   D165       1.66337   0.00000   0.00365  -0.00330   0.00035   1.66372
   D166      -1.65943   0.00000   0.00472  -0.00314   0.00158  -1.65785
   D167       1.29171   0.00000   0.00300  -0.00265   0.00035   1.29206
   D168      -1.73925   0.00000   0.00370  -0.00236   0.00134  -1.73791
   D169       1.21189   0.00000   0.00198  -0.00187   0.00011   1.21200
   D170      -1.99626  -0.00002   0.00404  -0.00384   0.00020  -1.99606
   D171       0.95488  -0.00002   0.00232  -0.00335  -0.00102   0.95386
   D172      -2.00854   0.00000   0.00523  -0.00358   0.00164  -2.00691
   D173       0.94259   0.00000   0.00351  -0.00309   0.00041   0.94301
   D174      -2.31138   0.00001   0.00519  -0.00346   0.00172  -2.30966
   D175       0.63976   0.00001   0.00347  -0.00297   0.00050   0.64026
   D176       1.97663  -0.00001   0.00049   0.00046   0.00095   1.97758
   D177      -1.35542  -0.00001  -0.00122   0.00095  -0.00027  -1.35569
   D178       0.83008   0.00000   0.00117  -0.00011   0.00105   0.83113
   D179      -2.50197   0.00000  -0.00055   0.00038  -0.00017  -2.50214
   D180       0.36573  -0.00001   0.00103  -0.00007   0.00095   0.36668
   D181      -2.96632  -0.00001  -0.00069   0.00042  -0.00027  -2.96659
   D182      -3.11108   0.00001   0.00430  -0.00366   0.00063  -3.11045
   D183      -0.15994   0.00001   0.00258  -0.00317  -0.00060  -0.16054
   D184       2.90593   0.00000   0.00433  -0.00333   0.00099   2.90692
   D185      -0.42612   0.00000   0.00262  -0.00284  -0.00023  -0.42635
   D186       3.05946   0.00001   0.00426  -0.00259   0.00166   3.06112
   D187      -0.27259   0.00001   0.00255  -0.00210   0.00044  -0.27215
   D188       2.96842   0.00000   0.00179  -0.00028   0.00150   2.96992
   D189      -0.36363   0.00000   0.00008   0.00021   0.00028  -0.36335
   D190       2.46008   0.00000   0.00405  -0.00326   0.00078   2.46086
   D191      -0.87197   0.00000   0.00233  -0.00277  -0.00044  -0.87241
   D192       0.31661   0.00002  -0.00109   0.00155   0.00049   0.31709
   D193      -3.01544   0.00002  -0.00281   0.00204  -0.00074  -3.01618
   D194       0.62848   0.00001   0.00096  -0.00120  -0.00022   0.62826
   D195      -2.70357   0.00000  -0.00075  -0.00071  -0.00145  -2.70502
   D196       0.43147   0.00001   0.00392  -0.00541  -0.00148   0.42999
   D197      -2.90058   0.00001   0.00220  -0.00492  -0.00270  -2.90328
   D198       1.09645  -0.00001   0.00170  -0.00160   0.00009   1.09655
   D199      -2.23560  -0.00001  -0.00002  -0.00111  -0.00113  -2.23673
   D200       1.43308   0.00000   0.00283  -0.00256   0.00027   1.43335
   D201      -1.89896   0.00000   0.00111  -0.00207  -0.00096  -1.89992
   D202       1.60702   0.00001   0.00162  -0.00105   0.00057   1.60759
   D203      -0.60527   0.00001   0.00116  -0.00055   0.00061  -0.60467
   D204       1.67968   0.00001   0.00251  -0.00139   0.00112   1.68080
   D205      -0.53261   0.00001   0.00205  -0.00090   0.00115  -0.53146
   D206       1.36092   0.00001   0.00338  -0.00170   0.00167   1.36259
   D207      -0.85138   0.00001   0.00292  -0.00121   0.00170  -0.84967
   D208       1.19622   0.00002   0.00409  -0.00121   0.00288   1.19910
   D209      -1.01607   0.00002   0.00362  -0.00071   0.00292  -1.01316
   D210       2.11123   0.00001   0.00239  -0.00116   0.00124   2.11247
   D211      -0.10107   0.00001   0.00193  -0.00066   0.00127  -0.09979
   D212       2.22850   0.00001   0.00206  -0.00103   0.00103   2.22953
   D213       0.01620   0.00001   0.00160  -0.00053   0.00107   0.01727
   D214      -2.23355   0.00001   0.00285  -0.00080   0.00205  -2.23150
   D215       1.83735   0.00001   0.00239  -0.00031   0.00208   1.83943
   D216      -2.39944   0.00001   0.00146   0.00098   0.00244  -2.39700
   D217       1.67145   0.00000   0.00100   0.00148   0.00247   1.67393
   D218      -2.00965   0.00001  -0.00014   0.00357   0.00342  -2.00622
   D219       2.06124   0.00001  -0.00060   0.00406   0.00346   2.06470
   D220      -2.12093   0.00001  -0.00566   0.01009   0.00444  -2.11648
   D221       1.94997   0.00000  -0.00612   0.01059   0.00448   1.95444
   D222      -2.89319   0.00000   0.00140   0.00050   0.00190  -2.89129
   D223       1.17770  -0.00001   0.00094   0.00100   0.00193   1.17963
   D224       3.05400   0.00000   0.00145   0.00013   0.00157   3.05558
   D225       0.84171  -0.00001   0.00099   0.00063   0.00161   0.84332
   D226      -2.71676  -0.00001   0.00134  -0.00108   0.00026  -2.71650
   D227       1.35413  -0.00001   0.00088  -0.00059   0.00029   1.35443
   D228      -2.66454   0.00000   0.00395  -0.00299   0.00095  -2.66358
   D229       1.40635   0.00000   0.00349  -0.00250   0.00099   1.40734
   D230      -1.57190   0.00000   0.00235  -0.00168   0.00066  -1.57124
   D231       2.49899   0.00000   0.00189  -0.00119   0.00070   2.49969
   D232      -0.05457  -0.00002   0.00870  -0.00682   0.00190  -0.05267
   D233      -2.26686  -0.00002   0.00824  -0.00633   0.00193  -2.26493
   D234      -0.19610   0.00000   0.00603  -0.00380   0.00224  -0.19386
   D235      -2.40839  -0.00001   0.00557  -0.00331   0.00228  -2.40612
   D236       0.07878  -0.00001   0.00351  -0.00114   0.00239   0.08117
   D237      -2.13351  -0.00001   0.00305  -0.00065   0.00242  -2.13109
   D238      -0.02649  -0.00002   0.00360   0.00007   0.00364  -0.02284
   D239      -2.23878  -0.00002   0.00314   0.00056   0.00367  -2.23511
   D240      -0.59435   0.00001   0.00459  -0.00229   0.00230  -0.59206
   D241      -2.80665   0.00001   0.00413  -0.00179   0.00233  -2.80432
   D242      -0.78144   0.00001   0.00427  -0.00147   0.00280  -0.77864
   D243      -2.99373   0.00000   0.00381  -0.00097   0.00283  -2.99090
   D244      -2.93449   0.00001  -0.00145   0.00129  -0.00016  -2.93465
   D245      -0.01269   0.00001  -0.00157   0.00122  -0.00035  -0.01305
   D246      -3.12307   0.00001  -0.00106   0.00134   0.00028  -3.12280
   D247      -0.20128   0.00001  -0.00119   0.00127   0.00009  -0.20119
   D248       2.77674   0.00001  -0.00080   0.00120   0.00040   2.77714
   D249      -0.58465   0.00001  -0.00092   0.00113   0.00021  -0.58444
   D250       2.54024   0.00000  -0.00060   0.00136   0.00076   2.54100
   D251      -0.82115   0.00000  -0.00072   0.00129   0.00057  -0.82058
   D252      -2.89345   0.00001  -0.00094   0.00169   0.00075  -2.89269
   D253       0.02835   0.00001  -0.00107   0.00162   0.00056   0.02891
   D254      -3.06688   0.00000  -0.00108   0.00166   0.00059  -3.06630
   D255      -0.14509   0.00000  -0.00120   0.00159   0.00039  -0.14469
   D256      -0.65515   0.00001  -0.00159   0.00258   0.00098  -0.65417
   D257       2.26665   0.00001  -0.00172   0.00251   0.00079   2.26744
   D258      -0.90184   0.00000  -0.00283   0.00386   0.00103  -0.90081
   D259       2.01996   0.00000  -0.00295   0.00379   0.00084   2.02080
   D260      -0.73769   0.00000  -0.00435   0.00535   0.00099  -0.73669
   D261       2.18411   0.00000  -0.00448   0.00528   0.00080   2.18491
   D262      -0.94067  -0.00001  -0.00587   0.00647   0.00060  -0.94007
   D263       1.98113  -0.00001  -0.00599   0.00640   0.00041   1.98153
   D264      -1.30987   0.00000  -0.00302   0.00400   0.00098  -1.30890
   D265       1.61192   0.00000  -0.00314   0.00393   0.00079   1.61271
   D266      -1.54865   0.00000  -0.00333   0.00428   0.00093  -1.54772
   D267       1.37314   0.00000  -0.00346   0.00421   0.00074   1.37389
   D268       1.97860   0.00000  -0.00291   0.00238  -0.00053   1.97807
   D269      -1.38279   0.00000  -0.00303   0.00231  -0.00072  -1.38351
   D270       0.85648   0.00001  -0.00233   0.00206  -0.00027   0.85621
   D271      -2.50491   0.00000  -0.00245   0.00200  -0.00046  -2.50537
   D272       1.00398  -0.00004   0.01193  -0.01015   0.00174   1.00572
   D273      -2.35741  -0.00004   0.01181  -0.01022   0.00155  -2.35586
   D274       1.14481   0.00000   0.00347  -0.00167   0.00182   1.14663
   D275      -2.21658  -0.00001   0.00335  -0.00174   0.00163  -2.21495
   D276       1.59510  -0.00001   0.00045   0.00127   0.00175   1.59685
   D277      -1.76629  -0.00001   0.00032   0.00120   0.00156  -1.76473
   D278       1.57712  -0.00001   0.00010   0.00239   0.00249   1.57961
   D279      -1.78426  -0.00001  -0.00002   0.00232   0.00230  -1.78197
   D280       0.81925   0.00001  -0.00077   0.00235   0.00158   0.82084
   D281      -2.54214   0.00001  -0.00089   0.00228   0.00139  -2.54075
   D282       0.79703   0.00001  -0.00088   0.00298   0.00211   0.79913
   D283      -2.56436   0.00001  -0.00101   0.00292   0.00191  -2.56245
   D284       1.57639   0.00001   0.00307  -0.00201   0.00106   1.57745
   D285      -2.64110   0.00001   0.00483  -0.00316   0.00167  -2.63943
   D286       1.63961   0.00000   0.00439  -0.00269   0.00170   1.64132
   D287      -2.57787   0.00000   0.00616  -0.00384   0.00231  -2.57556
   D288       1.33021   0.00001   0.00483  -0.00270   0.00214   1.33235
   D289      -2.88728   0.00001   0.00660  -0.00385   0.00275  -2.88453
   D290       1.24083   0.00001   0.00510  -0.00204   0.00307   1.24390
   D291      -2.97666   0.00001   0.00687  -0.00319   0.00368  -2.97298
   D292       2.03681   0.00000   0.00479  -0.00278   0.00201   2.03881
   D293      -2.18068   0.00000   0.00655  -0.00394   0.00262  -2.17806
   D294       2.01840   0.00000   0.00454  -0.00279   0.00175   2.02016
   D295      -2.19908   0.00000   0.00630  -0.00394   0.00236  -2.19672
   D296      -2.30309   0.00001   0.00484  -0.00200   0.00284  -2.30025
   D297      -0.23739   0.00001   0.00660  -0.00315   0.00345  -0.23395
   D298      -2.27716   0.00001   0.00349  -0.00050   0.00299  -2.27417
   D299      -0.21146   0.00001   0.00525  -0.00165   0.00360  -0.20786
   D300      -1.88867   0.00000   0.00294   0.00007   0.00301  -1.88566
   D301       0.17703   0.00001   0.00471  -0.00109   0.00362   0.18065
   D302      -1.82619   0.00000   0.00163   0.00122   0.00285  -1.82334
   D303       0.23951   0.00000   0.00340   0.00006   0.00346   0.24297
   D304      -2.62236   0.00000   0.00257   0.00035   0.00292  -2.61943
   D305      -0.55666   0.00000   0.00434  -0.00080   0.00353  -0.55313
   D306      -2.74688  -0.00001   0.00218   0.00100   0.00318  -2.74370
   D307      -0.68119  -0.00001   0.00394  -0.00015   0.00379  -0.67740
   D308       1.51986  -0.00001   0.00407  -0.00288   0.00119   1.52105
   D309      -2.69763  -0.00001   0.00584  -0.00403   0.00180  -2.69583
   D310       2.62076   0.00000   0.00397  -0.00281   0.00115   2.62190
   D311      -1.59673   0.00000   0.00573  -0.00397   0.00176  -1.59497
   D312       3.00239   0.00000   0.00586  -0.00422   0.00162   3.00401
   D313      -1.21510   0.00000   0.00762  -0.00537   0.00223  -1.21287
   D314      -0.44501  -0.00002   0.01111  -0.00904   0.00207  -0.44294
   D315       1.62069  -0.00002   0.01287  -0.01019   0.00268   1.62337
   D316      -0.29819  -0.00001   0.00829  -0.00570   0.00260  -0.29559
   D317       1.76751  -0.00001   0.01006  -0.00685   0.00321   1.77072
   D318       0.12605  -0.00001   0.00761  -0.00508   0.00255   0.12860
   D319       2.19175  -0.00001   0.00938  -0.00624   0.00316   2.19491
   D320       0.25736   0.00000   0.00790  -0.00434   0.00355   0.26091
   D321       2.32306   0.00000   0.00966  -0.00550   0.00416   2.32722
   D322      -0.55732   0.00001   0.00555  -0.00258   0.00297  -0.55434
   D323       1.50838   0.00001   0.00732  -0.00373   0.00358   1.51196
   D324      -0.59321   0.00000   0.00580  -0.00175   0.00405  -0.58915
   D325       1.47249   0.00000   0.00757  -0.00291   0.00466   1.47715
   D326       0.05851   0.00000  -0.00657   0.00815   0.00159   0.06010
   D327       2.24281  -0.00001  -0.00548   0.00688   0.00142   2.24423
   D328       0.36660   0.00000  -0.00621   0.00739   0.00119   0.36779
   D329       2.55090  -0.00001  -0.00511   0.00611   0.00102   2.55192
   D330       0.72984   0.00000  -0.00684   0.00823   0.00137   0.73121
   D331       2.91414   0.00000  -0.00575   0.00695   0.00120   2.91534
   D332       1.00824   0.00001  -0.00724   0.00875   0.00148   1.00972
   D333      -3.09064   0.00001  -0.00615   0.00748   0.00131  -3.08933
   D334       0.31041  -0.00001  -0.00497   0.00530   0.00038   0.31079
   D335       2.49472  -0.00001  -0.00387   0.00403   0.00020   2.49492
   D336       0.69697   0.00000  -0.00694   0.00695   0.00002   0.69699
   D337       2.88128  -0.00001  -0.00584   0.00567  -0.00015   2.88112
   D338      -2.35645   0.00000  -0.00541   0.00698   0.00156  -2.35490
   D339      -0.17215  -0.00001  -0.00431   0.00571   0.00138  -0.17077
   D340      -1.97701   0.00000  -0.00439   0.00575   0.00133  -1.97569
   D341       0.20729   0.00000  -0.00329   0.00447   0.00115   0.20845
   D342      -1.93323   0.00001  -0.00414   0.00514   0.00097  -1.93226
   D343       0.25108   0.00001  -0.00304   0.00386   0.00079   0.25187
   D344      -1.63826   0.00002  -0.00463   0.00573   0.00106  -1.63720
   D345       0.54604   0.00001  -0.00354   0.00446   0.00089   0.54693
   D346      -1.60207   0.00000  -0.00319   0.00464   0.00141  -1.60066
   D347       0.58223  -0.00001  -0.00209   0.00337   0.00124   0.58347
   D348      -1.30080   0.00000  -0.00269   0.00395   0.00122  -1.29958
   D349       0.88351  -0.00001  -0.00160   0.00267   0.00105   0.88455
   D350       1.81394   0.00001  -0.00870   0.00974   0.00101   1.81495
   D351      -2.28494   0.00000  -0.00760   0.00847   0.00083  -2.28410
   D352       2.24177   0.00002  -0.01107   0.01187   0.00078   2.24254
   D353      -1.85711   0.00002  -0.00997   0.01059   0.00060  -1.85651
   D354       2.47036   0.00004  -0.01788   0.01774  -0.00011   2.47025
   D355      -1.62852   0.00003  -0.01678   0.01646  -0.00028  -1.62880
   D356       3.10700   0.00003  -0.01460   0.01589   0.00141   3.10841
   D357      -0.99188   0.00003  -0.01350   0.01461   0.00124  -0.99064
   D358       2.57291   0.00001  -0.00786   0.00920   0.00134   2.57425
   D359      -1.52597   0.00000  -0.00676   0.00792   0.00117  -1.52480
   D360       1.61373  -0.00001  -0.00086   0.00117   0.00029   1.61402
   D361      -2.48515  -0.00001   0.00023  -0.00010   0.00012  -2.48503
   D362       1.78456   0.00001  -0.00332   0.00249  -0.00080   1.78376
   D363      -2.31432   0.00000  -0.00222   0.00122  -0.00098  -2.31530
   D364       2.73876  -0.00003   0.00052  -0.00052   0.00000   2.73876
   D365      -1.36012  -0.00004   0.00162  -0.00179  -0.00017  -1.36030
   D366       2.71834  -0.00002  -0.00254   0.00197  -0.00058   2.71775
   D367      -1.38054  -0.00002  -0.00144   0.00069  -0.00076  -1.38130
   D368       0.04653   0.00001  -0.00212   0.00483   0.00272   0.04925
   D369      -2.54792   0.00000  -0.04489   0.03967  -0.00521  -2.55313
   D370       0.44602   0.00000  -0.00191   0.00458   0.00270   0.44872
   D371      -2.14843   0.00000  -0.04467   0.03942  -0.00524  -2.15367
   D372       0.65609   0.00001  -0.00262   0.00600   0.00341   0.65950
   D373      -1.93836   0.00000  -0.04539   0.04084  -0.00453  -1.94289
   D374       0.92647   0.00002  -0.00290   0.00710   0.00422   0.93070
   D375      -1.66798   0.00002  -0.04567   0.04194  -0.00372  -1.67169
   D376       0.69032   0.00000  -0.00107   0.00299   0.00195   0.69227
   D377      -1.90413   0.00000  -0.04383   0.03783  -0.00599  -1.91012
   D378       1.02947   0.00000  -0.00142   0.00333   0.00194   1.03140
   D379      -1.56498   0.00000  -0.04418   0.03817  -0.00600  -1.57098
   D380      -2.77461   0.00002  -0.00297   0.00714   0.00420  -2.77041
   D381       0.91413   0.00001  -0.04574   0.04198  -0.00374   0.91039
   D382      -2.21736   0.00001  -0.00234   0.00678   0.00447  -2.21289
   D383       1.47138   0.00001  -0.04511   0.04161  -0.00347   1.46791
   D384      -1.97690   0.00001   0.00070   0.00280   0.00352  -1.97338
   D385       1.71183   0.00000  -0.04207   0.03764  -0.00441   1.70742
   D386      -1.64512   0.00001   0.00183   0.00152   0.00336  -1.64176
   D387       2.04362   0.00001  -0.04093   0.03635  -0.00458   2.03904
   D388      -1.69389   0.00000  -0.00041   0.00561   0.00519  -1.68871
   D389       1.99484  -0.00001  -0.04318   0.04044  -0.00275   1.99209
   D390      -1.10907   0.00000   0.00554  -0.00216   0.00335  -1.10572
   D391       2.57967  -0.00001  -0.03722   0.03267  -0.00459   2.57508
   D392       1.78336   0.00000  -0.00015   0.00329   0.00315   1.78651
   D393      -0.81109  -0.00001  -0.04291   0.03812  -0.00479  -0.81588
   D394       2.08318   0.00001  -0.00070   0.00338   0.00268   2.08586
   D395      -0.51127   0.00000  -0.04346   0.03821  -0.00526  -0.51652
   D396       2.02833   0.00000  -0.00192   0.00371   0.00177   2.03011
   D397      -0.56612   0.00000  -0.04469   0.03855  -0.00616  -0.57228
   D398       2.22414   0.00001  -0.00070   0.00265   0.00192   2.22606
   D399      -0.37031   0.00001  -0.04346   0.03749  -0.00602  -0.37633
   D400       2.48412   0.00000   0.00015   0.00283   0.00298   2.48711
   D401      -0.11033   0.00000  -0.04262   0.03767  -0.00495  -0.11528
   D402      -1.53393  -0.00001   0.00621  -0.00369   0.00251  -1.53142
   D403       2.15481  -0.00002  -0.03655   0.03114  -0.00543   2.14938
   D404      -2.63412   0.00001   0.00627  -0.00392   0.00234  -2.63178
   D405       1.05462   0.00000  -0.03650   0.03092  -0.00560   1.04902
   D406      -2.99591   0.00000   0.00416  -0.00227   0.00189  -2.99402
   D407       0.69282   0.00000  -0.03860   0.03257  -0.00605   0.68677
   D408       1.91141   0.00000  -0.00651   0.00861   0.00211   1.91352
   D409       2.40514   0.00000  -0.00764   0.00909   0.00144   2.40658
   D410       2.63524   0.00000  -0.00621   0.00810   0.00188   2.63713
   D411       2.86648   0.00002  -0.00583   0.00850   0.00267   2.86916
   D412       2.82834  -0.00001  -0.01098   0.01083  -0.00020   2.82814
   D413      -2.95986  -0.00001  -0.00901   0.00883  -0.00018  -2.96004
   D414      -0.75839   0.00000  -0.00369   0.00595   0.00227  -0.75612
   D415      -0.37734   0.00001  -0.00391   0.00633   0.00241  -0.37493
   D416      -0.06826   0.00001  -0.00376   0.00592   0.00215  -0.06610
   D417       0.24065   0.00001  -0.00389   0.00604   0.00214   0.24279
   D418      -0.24111   0.00001  -0.00409   0.00685   0.00275  -0.23836
   D419       0.07154   0.00000  -0.00315   0.00625   0.00308   0.07462
   D420      -2.56783  -0.00001  -0.00462   0.00607   0.00146  -2.56637
   D421      -2.18475   0.00000  -0.00469   0.00615   0.00146  -2.18329
   D422      -1.94265  -0.00001  -0.00493   0.00579   0.00087  -1.94179
   D423      -1.62922  -0.00001  -0.00358   0.00477   0.00118  -1.62804
   D424      -1.96826   0.00000  -0.00387   0.00599   0.00213  -1.96612
   D425       1.33710  -0.00004   0.00422  -0.00350   0.00075   1.33784
   D426       2.48516   0.00000   0.00285  -0.00197   0.00089   2.48605
   D427       2.95523   0.00003   0.00116  -0.00081   0.00041   2.95563
   D428      -3.06953  -0.00007   0.00211  -0.00743  -0.00532  -3.07485
   D429       0.03101  -0.00006  -0.00317   0.00124  -0.00192   0.02909
   D430       0.04291   0.00000   0.00217  -0.00905  -0.00688   0.03603
   D431      -3.13974   0.00001  -0.00311  -0.00038  -0.00348   3.13996
   D432      -0.08894   0.00000  -0.00395   0.00778   0.00383  -0.08510
   D433       2.00977   0.00003  -0.00486   0.00921   0.00435   2.01412
   D434      -2.18581   0.00000  -0.00353   0.00783   0.00431  -2.18151
   D435       3.09161  -0.00001   0.00104  -0.00045   0.00059   3.09221
   D436      -1.09286   0.00002   0.00013   0.00098   0.00111  -1.09175
   D437       0.99474  -0.00001   0.00146  -0.00040   0.00107   0.99581
   D438      -2.37095   0.00000   0.00469  -0.00940  -0.00471  -2.37567
   D439      -0.28069   0.00001   0.00483  -0.00956  -0.00473  -0.28542
   D440       1.82636   0.00000   0.00518  -0.00987  -0.00469   1.82167
   D441       0.73162   0.00002  -0.00031  -0.00116  -0.00147   0.73015
   D442       2.82188   0.00002  -0.00017  -0.00132  -0.00149   2.82040
   D443      -1.35426   0.00001   0.00018  -0.00162  -0.00144  -1.35570
   D444      -0.00166   0.00002   0.00062   0.00076   0.00139  -0.00028
   D445       3.11244   0.00002   0.00198  -0.00177   0.00021   3.11265
   D446      -3.12194   0.00002   0.00074   0.00086   0.00160  -3.12034
   D447      -0.00784   0.00002   0.00209  -0.00167   0.00042  -0.00742
   D448       2.42450   0.00000   0.00360  -0.00296   0.00064   2.42514
   D449      -1.77457   0.00000   0.00379  -0.00312   0.00067  -1.77390
   D450       0.33347   0.00000   0.00400  -0.00317   0.00083   0.33429
   D451      -0.69093   0.00000   0.00231  -0.00055   0.00176  -0.68917
   D452       1.39318   0.00000   0.00250  -0.00071   0.00179   1.39498
   D453      -2.78196   0.00000   0.00271  -0.00076   0.00195  -2.78001
   D454       2.06223  -0.00001  -0.00289   0.00314   0.00025   2.06248
   D455      -2.13662   0.00001  -0.00271   0.00297   0.00027  -2.13635
   D456      -0.04305   0.00000  -0.00301   0.00327   0.00026  -0.04279
   D457      -1.10550  -0.00001  -0.00160   0.00073  -0.00087  -1.10637
   D458       0.97884   0.00001  -0.00143   0.00057  -0.00085   0.97799
   D459       3.07241   0.00000  -0.00173   0.00086  -0.00086   3.07154
   D460      -3.09328   0.00003   0.00384  -0.00246   0.00138  -3.09190
   D461      -0.03322   0.00004   0.00359  -0.00237   0.00122  -0.03201
   D462       0.06166   0.00002   0.00426  -0.00279   0.00146   0.06312
   D463       3.12171   0.00002   0.00400  -0.00270   0.00130   3.12301
   D464       1.94999  -0.00004  -0.00941   0.00669  -0.00271   1.94728
   D465      -2.25136  -0.00001  -0.00869   0.00631  -0.00239  -2.25375
   D466      -0.15772  -0.00003  -0.00899   0.00645  -0.00254  -0.16026
   D467      -1.11343  -0.00004  -0.00914   0.00661  -0.00253  -1.11595
   D468       0.96840  -0.00001  -0.00843   0.00623  -0.00220   0.96621
   D469       3.06205  -0.00003  -0.00873   0.00637  -0.00236   3.05970
   D470      -1.65820   0.00001   0.01091  -0.00686   0.00404  -1.65416
   D471       0.44585   0.00002   0.01096  -0.00704   0.00392   0.44977
   D472       2.53905   0.00001   0.00996  -0.00647   0.00349   2.54254
   D473       1.40554   0.00001   0.01065  -0.00678   0.00387   1.40941
   D474      -2.77359   0.00003   0.01071  -0.00696   0.00374  -2.76985
   D475      -0.68040   0.00002   0.00971  -0.00639   0.00332  -0.67708
   D476      -0.00315   0.00003   0.00258  -0.00417  -0.00159  -0.00475
   D477      -3.09891   0.00005  -0.00110   0.00240   0.00131  -3.09760
   D478       3.11330  -0.00002   0.00335  -0.00535  -0.00200   3.11131
   D479       0.01754   0.00001  -0.00032   0.00122   0.00091   0.01845
   D480      -0.36262   0.00000   0.00537   0.00155   0.00688  -0.35574
   D481       1.74509   0.00000   0.00491   0.00155   0.00643   1.75152
   D482      -2.45154   0.00002   0.00479   0.00162   0.00639  -2.44515
   D483       2.73532  -0.00003   0.00884  -0.00468   0.00411   2.73943
   D484      -1.44016  -0.00002   0.00839  -0.00468   0.00367  -1.43649
   D485       0.64639   0.00000   0.00826  -0.00462   0.00363   0.65002
   D486      -0.00690  -0.00003   0.01195  -0.01170   0.00024  -0.00666
   D487       2.08590  -0.00002   0.01132  -0.01157  -0.00027   2.08564
   D488      -2.11171  -0.00001   0.01161  -0.01167  -0.00007  -2.11178
   D489      -3.10482  -0.00001   0.00843  -0.00543   0.00300  -3.10182
   D490      -1.01202   0.00000   0.00780  -0.00530   0.00250  -1.00952
   D491       1.07355   0.00001   0.00809  -0.00540   0.00269   1.07625
         Item               Value     Threshold  Converged?
 Maximum Force            0.000119     0.000450     YES
 RMS     Force            0.000016     0.000300     YES
 Maximum Displacement     0.013621     0.001800     NO 
 RMS     Displacement     0.001399     0.001200     NO 
 Predicted change in Energy=-1.077791D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:06:44 2016, MaxMem=  2952790016 cpu:         7.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.832863   -0.604083    1.678035
      2          6           0       -2.088418    1.108127   -1.351613
      3          8           0       -2.639735    0.128110   -1.882314
      4          7           0       -0.795178    1.155586   -0.931451
      5          1           0       -2.637064    2.048571   -1.143090
      6          6           0       -0.253522    2.326744   -0.241611
      7          1           0       -1.008982    3.124434   -0.218718
      8          1           0        0.025913    2.056958    0.789425
      9          1           0        0.643359    2.688724   -0.770202
     10          6           0        0.115583    0.021153   -1.103513
     11          1           0        0.689482   -0.124038   -0.175001
     12          1           0       -0.466403   -0.884248   -1.319977
     13          1           0        0.820029    0.214110   -1.929415
     14          6           0       -1.988439   -4.019688    2.610026
     15          8           0       -2.107164   -3.870542    3.838280
     16          7           0       -2.934107   -3.712153    1.681129
     17          1           0       -1.058124   -4.411074    2.152514
     18          6           0       -4.234343   -3.153549    2.060280
     19          1           0       -4.504839   -2.361748    1.343826
     20          1           0       -5.014240   -3.932900    2.037051
     21          1           0       -4.169188   -2.729612    3.070662
     22          6           0       -2.690162   -3.889834    0.249468
     23          1           0       -3.400692   -4.620069   -0.171355
     24          1           0       -2.826841   -2.927680   -0.271323
     25          1           0       -1.662395   -4.245287    0.091419
     26          6           0        1.536199    0.382133    2.622909
     27          8           0        1.349078    1.397240    3.315085
     28          7           0        1.171382   -0.884099    2.962865
     29          1           0        2.022383    0.429925    1.628621
     30          6           0        1.488250   -2.029428    2.109505
     31          1           0        2.234884   -2.677157    2.598976
     32          1           0        0.577790   -2.624029    1.930762
     33          1           0        1.882885   -1.674031    1.147829
     34          6           0        0.532457   -1.171251    4.249675
     35          1           0        1.282706   -1.483186    4.996300
     36          1           0        0.015729   -0.271078    4.605731
     37          1           0       -0.192660   -1.987068    4.115689
     38          6           0       -4.613117    1.185919    2.906665
     39          8           0       -4.879779    1.820944    1.872222
     40          7           0       -3.516282    1.374916    3.690146
     41          1           0       -5.259962    0.364369    3.276405
     42          6           0       -2.505161    2.384625    3.366031
     43          1           0       -2.578186    2.646277    2.302103
     44          1           0       -2.649257    3.290464    3.978300
     45          1           0       -1.507000    1.971452    3.575047
     46          6           0       -3.257695    0.539829    4.864059
     47          1           0       -4.062547   -0.199399    4.976598
     48          1           0       -2.296752    0.012691    4.741050
     49          1           0       -3.202242    1.164060    5.770793
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489376   0.000000
     3  O    3.723337   1.243394   0.000000
     4  N    3.314008   1.360609   2.315650   0.000000
     5  H    3.955005   1.108570   2.057822   2.057852   0.000000
     6  C    3.843060   2.466572   3.635919   1.463175   2.563458
     7  H    4.263601   2.552279   3.795374   2.104771   2.159305
     8  H    3.365385   3.155110   4.238434   2.109046   3.290309
     9  H    4.792507   3.209196   4.309553   2.108532   3.363037
    10  C    3.453169   2.469958   2.865266   1.464934   3.418927
    11  H    3.166452   3.258739   3.749958   2.100922   4.089418
    12  H    3.306627   2.569337   2.462613   2.102372   3.653011
    13  H    4.552031   3.097126   3.461154   2.119247   3.991873
    14  C    3.543891   6.480669   6.148945   6.383525   7.164521
    15  O    3.925768   7.191836   6.999861   7.052206   7.754402
    16  N    3.297400   5.757414   5.247132   5.924143   6.422647
    17  H    3.913890   6.618308   6.275788   6.369277   7.421663
    18  C    3.523208   5.865824   5.371788   6.272715   6.314660
    19  H    3.215671   5.014431   4.481739   5.595544   5.396689
    20  H    4.618557   6.742065   6.123030   7.246046   7.179294
    21  H    3.451912   6.214046   5.919271   6.518866   6.552416
    22  C    3.684009   5.282534   4.548725   5.517408   6.099728
    23  H    4.691107   5.993939   5.104081   6.381587   6.782195
    24  H    3.191723   4.242645   3.459502   4.608307   5.055598
    25  H    3.975522   5.560835   4.896674   5.564868   6.487422
    26  C    3.635380   5.427868   6.148169   4.320536   5.863096
    27  O    4.099997   5.803278   6.673400   4.763329   6.015720
    28  N    3.279433   5.762811   6.246994   4.815950   6.321684
    29  H    3.991809   5.122542   5.844065   3.875462   5.657989
    30  C    3.639720   5.883548   6.134316   4.960420   6.650388
    31  H    4.657503   6.973269   7.191202   6.027862   7.750577
    32  H    3.155202   5.640181   5.697919   4.935869   6.451128
    33  H    3.902909   5.455169   5.734420   4.416126   6.287768
    34  C    3.539739   6.590826   7.025129   5.832740   7.035271
    35  H    4.635782   7.640379   8.080665   6.813146   8.095061
    36  H    3.478447   6.466808   7.021793   5.775235   6.742925
    37  H    3.247317   6.562433   6.814557   5.976029   7.065143
    38  C    3.527528   4.951070   5.286541   5.413752   4.587970
    39  O    3.898995   4.323531   4.688286   4.998725   3.764797
    40  N    3.286171   5.246838   5.777125   5.367651   4.958529
    41  H    3.903549   5.659542   5.790837   6.185982   5.408148
    42  C    3.497669   4.905027   5.714463   4.785701   4.523550
    43  H    3.392610   3.994423   4.884086   3.982104   3.497153
    44  H    4.596217   5.786632   6.659382   5.665771   5.269828
    45  H    3.215311   5.035411   5.870587   4.634745   4.852197
    46  C    3.672795   6.350177   6.787115   6.327012   6.224735
    47  H    4.001972   6.756706   7.012584   6.885981   6.673527
    48  H    3.158744   6.193862   6.633243   5.978144   6.235682
    49  H    4.663924   7.209188   7.743361   7.121383   6.993108
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098887   0.000000
     8  H    1.101773   1.796348   0.000000
     9  H    1.102195   1.795608   1.792430   0.000000
    10  C    2.488948   3.417289   2.781323   2.739632   0.000000
    11  H    2.626790   3.665960   2.475315   2.875417   1.101170
    12  H    3.393915   4.192457   3.652758   3.781528   1.097868
    13  H    2.909367   3.839499   3.379172   2.738376   1.102539
    14  C    7.170701   7.745941   6.655660   7.959591   5.877557
    15  O    7.647735   8.160572   6.998628   8.475109   6.671373
    16  N    6.881187   7.352173   6.545188   7.731657   5.567083
    17  H    7.195652   7.899939   6.698401   7.864124   5.623516
    18  C    7.153967   7.416863   6.849396   8.120084   6.245813
    19  H    6.524513   6.690348   6.352955   7.515340   5.745954
    20  H    8.187788   8.422384   7.927049   9.150684   7.198108
    21  H    7.202106   7.421374   6.761225   8.201904   6.584050
    22  C    6.695088   7.228106   6.559950   7.445100   4.999858
    23  H    7.626784   8.105545   7.566202   8.374452   5.896953
    24  H    5.850797   6.319452   5.840377   6.620814   4.248061
    25  H    6.729593   7.405128   6.561698   7.357949   4.774053
    26  C    3.897446   4.698192   2.906487   4.198896   4.004333
    27  O    4.010286   4.586002   2.926594   4.342297   4.789482
    28  N    4.754843   5.562805   3.832200   5.194196   4.297630
    29  H    3.503631   4.456704   2.708759   3.571866   3.356715
    30  C    5.247641   6.182158   4.536473   5.591736   4.051244
    31  H    6.268981   7.219455   5.528641   6.532763   5.047845
    32  H    5.469957   6.339001   4.849624   5.960273   4.051845
    33  H    4.743520   5.766768   4.182951   4.924318   3.326491
    34  C    5.746771   6.387134   4.759333   6.333315   5.500203
    35  H    6.656671   7.326555   5.640030   7.146058   6.390065
    36  H    5.506169   5.987892   4.470352   6.168874   5.717590
    37  H    6.131781   6.751364   5.240796   6.814242   5.600717
    38  C    5.497199   5.149335   5.173201   6.588499   6.308630
    39  O    5.111397   4.588484   5.029310   6.183891   6.086698
    40  N    5.197143   4.962519   4.628877   6.238863   6.164599
    41  H    6.425869   6.156678   6.081973   7.525082   6.942476
    42  C    4.253035   3.954276   3.626651   5.207118   5.694833
    43  H    3.460729   3.007587   3.068684   4.451878   5.074041
    44  H    4.947317   4.509216   4.341312   5.809620   6.645115
    45  H    4.032905   3.996254   3.180695   4.900992   5.322158
    46  C    6.187567   6.129561   5.448523   7.181983   6.874587
    47  H    6.936842   6.882110   6.272087   7.969475   7.380594
    48  H    5.861445   5.995048   5.018878   6.795536   6.322843
    49  H    6.796748   6.672908   6.002689   7.739371   7.718179
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795817   0.000000
    13  H    1.791468   1.797975   0.000000
    14  C    5.486686   5.252856   6.813154   0.000000
    15  O    6.161490   6.182044   7.649782   1.242960   0.000000
    16  N    5.426803   4.805543   6.522661   1.360778   2.315648
    17  H    5.181711   4.984659   6.448405   1.108146   2.057783
    18  C    6.198264   5.547363   7.266738   2.469110   2.863609
    19  H    5.856207   5.058440   6.760427   3.268684   3.774600
    20  H    7.206459   6.422362   8.183474   3.080796   3.420439
    21  H    6.397658   6.032719   7.652357   2.575295   2.478487
    22  C    5.077735   4.054850   5.823344   2.466073   3.635909
    23  H    6.078145   4.887305   6.653913   3.176633   4.279274
    24  H    4.498247   3.293472   5.091148   3.193363   4.277354
    25  H    4.752579   3.836537   5.489301   2.549623   3.791730
    26  C    2.966722   4.600053   4.611376   5.639083   5.730312
    27  O    3.863942   5.475852   5.402266   6.401502   6.322094
    28  N    3.264372   4.585310   5.026323   4.465520   4.520404
    29  H    2.310097   4.076191   3.761895   6.070329   6.358441
    30  C    3.080179   4.110164   4.668282   4.037204   4.393788
    31  H    4.074510   5.086223   5.555859   4.431587   4.670485
    32  H    3.270576   3.832033   4.797362   2.999132   3.521563
    33  H    2.361476   3.497567   3.763532   4.756813   5.289961
    34  C    4.549623   5.665785   6.339013   4.142096   3.797765
    35  H    5.379735   6.581296   7.145657   4.777921   4.304846
    36  H    4.830214   5.976826   6.602306   4.695914   4.248741
    37  H    4.760155   5.553162   6.512604   3.102158   2.699955
    38  C    6.271381   6.272586   7.338336   5.837403   5.719747
    39  O    6.244258   6.081619   7.037200   6.558749   6.629163
    40  N    5.905478   6.285453   7.192394   5.709878   5.433450
    41  H    6.895407   6.757513   8.005588   5.510615   5.309455
    42  C    5.388696   6.066361   6.618896   6.469448   6.285581
    43  H    4.948570   5.481213   5.947189   6.699082   6.711977
    44  H    6.328974   7.089768   7.510060   7.466403   7.182860
    45  H    4.824777   5.761868   6.229159   6.087430   5.878638
    46  C    6.435297   6.932648   7.930020   5.242219   4.671971
    47  H    7.009026   7.283415   8.467796   4.949464   4.312375
    48  H    5.753594   6.394585   7.365460   4.571258   3.991295
    49  H    7.221992   7.871429   8.739238   6.191527   5.502819
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056699   0.000000
    18  C    1.465062   3.417345   0.000000
    19  H    2.098705   4.090667   1.101555   0.000000
    20  H    2.121877   3.986582   1.102799   1.791248   0.000000
    21  H    2.102763   3.653632   1.097652   1.797206   1.797322
    22  C    1.463124   2.560630   2.491114   2.612607   2.932345
    23  H    2.115115   3.306308   2.797472   2.935119   2.820070
    24  H    2.106886   3.347208   2.732846   2.396802   3.335232
    25  H    2.104438   2.154238   3.418072   3.632592   3.888178
    26  C    6.134637   5.470523   6.790932   6.757150   7.865811
    27  O    6.864501   6.393958   7.311553   7.230781   8.398546
    28  N    5.147405   4.250519   5.931857   6.084753   6.958033
    29  H    6.459594   5.761880   7.223174   7.104870   8.289458
    30  C    4.751033   3.486848   5.832164   6.050935   6.775753
    31  H    5.350900   3.748292   6.509074   6.862853   7.378513
    32  H    3.685072   2.432883   4.842912   5.123124   5.744148
    33  H    5.257543   4.141295   6.359404   6.427627   7.311876
    34  C    5.007063   4.174265   5.607615   5.935958   6.579381
    35  H    5.808629   4.705224   6.469016   6.899864   7.376299
    36  H    5.394056   4.930619   5.731586   5.953694   6.731096
    37  H    4.051979   3.237111   4.681943   5.139893   5.599520
    38  C    5.320914   6.673309   4.437434   3.878161   5.207633
    39  O    5.868332   7.315850   5.019715   4.232576   5.757775
    40  N    5.500304   6.471826   4.866115   4.521628   5.757561
    41  H    4.957070   6.459368   3.860907   3.425900   4.479163
    42  C    6.339841   7.053231   5.946968   5.533180   6.926239
    43  H    6.398587   7.220745   6.036499   5.450743   7.020696
    44  H    7.375281   8.073344   6.907721   6.506239   7.844653
    45  H    6.158484   6.554520   5.999880   5.722064   7.037581
    46  C    5.321194   6.058220   4.738783   4.729330   5.575188
    47  H    4.947013   5.894084   4.154688   4.250696   4.846203
    48  H    4.862489   5.272989   4.578850   4.696248   5.501276
    49  H    6.369827   6.983645   5.785749   5.807419   6.572911
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390099   0.000000
    23  H    3.830808   1.102356   0.000000
    24  H    3.606936   1.102562   1.789827   0.000000
    25  H    4.178177   1.098923   1.797551   1.795439   0.000000
    26  C    6.514206   6.461041   7.563256   6.194155   6.168668
    27  O    6.895064   7.325750   8.421615   7.000397   7.162339
    28  N    5.651479   5.595399   6.684659   5.533713   5.251007
    29  H    7.099134   6.539913   7.625753   6.196634   6.148023
    30  C    5.781062   4.937608   5.984605   5.009511   4.348478
    31  H    6.421633   5.589889   6.573383   5.824297   4.892408
    32  H    4.883064   3.886969   4.922540   4.066066   3.321158
    33  H    6.437323   5.160387   6.191573   5.076135   4.505149
    34  C    5.091564   5.811853   6.849053   5.899945   5.617666
    35  H    5.914796   6.641390   7.647151   6.835407   6.353005
    36  H    5.090615   6.276486   7.307956   6.238862   6.244153
    37  H    4.178065   4.980532   5.966818   5.202839   4.842976
    38  C    3.944028   6.043320   6.682341   5.496552   6.791934
    39  O    4.759072   6.327775   6.917410   5.599891   7.093799
    40  N    4.202047   6.343369   7.131928   5.889049   6.926356
    41  H    3.287072   5.819318   6.339445   5.417014   6.658494
    42  C    5.386246   7.008282   7.898153   6.446271   7.442383
    43  H    5.658812   6.851758   7.719734   6.144375   7.295166
    44  H    6.274975   8.090892   8.964420   7.533667   8.536350
    45  H    5.426016   6.842077   7.814714   6.366949   7.127949
    46  C    3.838793   6.421717   7.211130   6.211393   6.944091
    47  H    3.169534   6.152115   6.817757   6.042447   6.781955
    48  H    3.717047   5.963119   6.841994   5.835294   6.336549
    49  H    4.835946   7.502606   8.294857   7.306875   7.992962
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242804   0.000000
    28  N    1.360884   2.315198   0.000000
    29  H    1.107822   2.057474   2.056957   0.000000
    30  C    2.466072   3.635222   1.463013   2.562219   0.000000
    31  H    3.138151   4.230623   2.116249   3.262010   1.102995
    32  H    3.230267   4.322249   2.108303   3.391869   1.102015
    33  H    2.554186   3.796664   2.103470   2.162696   1.098574
    34  C    2.463101   2.852625   1.465114   3.413732   2.496064
    35  H    3.029299   3.335826   2.122770   3.943143   2.945202
    36  H    2.582653   2.495369   2.100080   3.658039   3.389876
    37  H    3.290966   3.804137   2.099084   4.115067   2.617638
    38  C    6.208114   5.979903   6.143986   6.799616   6.942665
    39  O    6.618042   6.407811   6.717389   7.045148   7.445365
    40  N    5.258533   4.879845   5.254167   5.984956   6.255663
    41  H    6.827531   6.689374   6.558899   7.466729   7.254673
    42  C    4.571082   3.979030   4.935997   5.228585   6.083588
    43  H    4.707167   4.243775   5.192246   5.150828   6.199613
    44  H    5.273851   4.473347   5.749379   5.960528   6.993755
    45  H    3.562802   2.924804   3.962659   4.315254   5.208298
    46  C    5.294245   4.935264   5.025816   6.193493   6.059095
    47  H    6.101146   5.881800   5.649597   6.973620   6.510037
    48  H    4.394828   4.152400   3.999265   5.340058   5.041975
    49  H    5.742247   5.176812   5.586412   6.707700   6.753081
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787538   0.000000
    33  H    1.798887   1.794088   0.000000
    34  C    2.809060   2.736782   3.420219   0.000000
    35  H    2.842424   3.346035   3.899662   1.103460   0.000000
    36  H    3.839392   3.606626   4.172726   1.097313   1.796380
    37  H    2.944421   2.402752   3.635117   1.099684   1.790553
    38  C    7.868491   6.512573   7.312378   5.816946   6.800840
    39  O    8.448640   7.038912   7.646779   6.625543   7.658548
    40  N    7.119400   5.987354   6.701527   4.815426   5.736294
    41  H    8.116804   6.694821   7.726977   6.071038   7.012703
    42  C    6.976965   6.054023   6.375583   4.759433   5.653819
    43  H    7.182808   6.154202   6.316531   5.295532   6.262399
    44  H    7.833892   7.041837   7.293702   5.486697   6.267726
    45  H    6.046815   5.307397   5.538254   3.806716   4.662289
    46  C    6.756332   5.772796   6.718415   4.203631   4.972456
    47  H    7.172867   6.057118   7.223724   4.752576   5.497293
    48  H    5.688540   4.807598   5.764168   3.106057   3.887842
    49  H    7.374124   6.586660   7.435393   4.659984   5.265217
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796716   0.000000
    38  C    5.141584   5.574049   0.000000
    39  O    5.984533   6.442296   1.242754   0.000000
    40  N    4.002836   4.746628   1.361107   2.315797   0.000000
    41  H    5.477575   5.649000   1.109081   2.058611   2.057379
    42  C    3.865812   5.002134   2.468074   2.861470   1.465240
    43  H    4.532776   5.517944   2.576642   2.482600   2.103104
    44  H    4.492260   5.822893   3.071524   3.401511   2.122284
    45  H    2.899992   4.205908   3.272883   3.781258   2.099123
    46  C    3.382249   4.042239   2.466981   3.636414   1.463663
    47  H    4.095732   4.348902   2.550854   3.792995   2.105191
    48  H    2.333753   2.969396   3.179148   4.262861   2.108864
    49  H    3.711109   4.661175   3.192847   4.294704   2.114751
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417366   0.000000
    43  H    3.653531   1.098061   0.000000
    44  H    3.983775   1.102806   1.797126   0.000000
    45  H    4.093486   1.100330   1.795332   1.790854   0.000000
    46  C    2.561348   2.492723   3.385628   2.953093   2.603081
    47  H    2.154598   3.420023   4.177813   3.895270   3.634248
    48  H    3.324076   2.749578   3.600478   3.383761   2.412470
    49  H    3.331019   2.785423   3.823378   2.835563   2.889122
                   46         47         48         49
    46  C    0.000000
    47  H    1.098595   0.000000
    48  H    1.102913   1.794018   0.000000
    49  H    1.102227   1.797189   1.790512   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2138704      0.1939785      0.1842484
 Leave Link  202 at Mon Nov 14 03:06:45 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.0722158273 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1839771782 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1847.8882386491 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4019
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.21D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     205
 GePol: Fraction of low-weight points (<1% of avg)   =       5.10%
 GePol: Cavity surface area                          =    467.389 Ang**2
 GePol: Cavity volume                                =    457.881 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040254835 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1847.8842131656 Hartrees.
 Leave Link  301 at Mon Nov 14 03:06:45 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11976 LenP2D=   37492.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:06:46 2016, MaxMem=  2952790016 cpu:        14.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:06:46 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001114   -0.000641    0.000865
         Rot=    1.000000   -0.000010    0.000101    0.000006 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 03:06:47 2016, MaxMem=  2952790016 cpu:         6.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48457083.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.33D-15 for   2730.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.66D-15 for   1971    663.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.10D-14 for   2378.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.90D-12 for   1990   1918.
 E= -1013.45127074128    
 DIIS: error= 1.32D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45127074128     IErMin= 1 ErrMin= 1.32D-04
 ErrMax= 1.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-05 BMatP= 2.03D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.32D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.66D-05 MaxDP=1.09D-03              OVMax= 1.67D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.66D-05    CP:  1.00D+00
 E= -1013.45130811053     Delta-E=       -0.000037369257 Rises=F Damp=F
 DIIS: error= 2.20D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45130811053     IErMin= 2 ErrMin= 2.20D-05
 ErrMax= 2.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.38D-07 BMatP= 2.03D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.302D-01 0.970D+00
 Coeff:      0.302D-01 0.970D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.08D-06 MaxDP=4.08D-04 DE=-3.74D-05 OVMax= 6.80D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.87D-06    CP:  1.00D+00  9.40D-01
 E= -1013.45130632007     Delta-E=        0.000001790459 Rises=F Damp=F
 DIIS: error= 6.46D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45130811053     IErMin= 2 ErrMin= 2.20D-05
 ErrMax= 6.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-06 BMatP= 5.38D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.341D-02 0.703D+00 0.293D+00
 Coeff:      0.341D-02 0.703D+00 0.293D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.56D-06 MaxDP=3.63D-04 DE= 1.79D-06 OVMax= 6.13D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.84D-06    CP:  1.00D+00  9.65D-01  2.99D-01
 E= -1013.45130851743     Delta-E=       -0.000002197356 Rises=F Damp=F
 DIIS: error= 1.16D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45130851743     IErMin= 4 ErrMin= 1.16D-05
 ErrMax= 1.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.44D-08 BMatP= 5.38D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-03 0.252D+00 0.180D+00 0.568D+00
 Coeff:      0.117D-03 0.252D+00 0.180D+00 0.568D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.33D-07 MaxDP=6.36D-05 DE=-2.20D-06 OVMax= 1.02D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.71D-07    CP:  1.00D+00  9.69D-01  3.55D-01  6.03D-01
 E= -1013.45130859347     Delta-E=       -0.000000076041 Rises=F Damp=F
 DIIS: error= 3.46D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45130859347     IErMin= 5 ErrMin= 3.46D-06
 ErrMax= 3.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.75D-09 BMatP= 9.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.751D-04 0.142D+00 0.108D+00 0.368D+00 0.381D+00
 Coeff:      0.751D-04 0.142D+00 0.108D+00 0.368D+00 0.381D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.18D-07 MaxDP=1.10D-05 DE=-7.60D-08 OVMax= 1.33D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.61D-07    CP:  1.00D+00  9.69D-01  3.51D-01  6.14D-01  6.98D-01
 E= -1013.45130859912     Delta-E=       -0.000000005646 Rises=F Damp=F
 DIIS: error= 3.62D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45130859912     IErMin= 6 ErrMin= 3.62D-07
 ErrMax= 3.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-10 BMatP= 6.75D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-04 0.411D-01 0.321D-01 0.114D+00 0.165D+00 0.648D+00
 Coeff:     -0.108D-04 0.411D-01 0.321D-01 0.114D+00 0.165D+00 0.648D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.02D-08 MaxDP=1.68D-06 DE=-5.65D-09 OVMax= 2.56D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.61D-08    CP:  1.00D+00  9.69D-01  3.52D-01  6.17D-01  6.79D-01
                    CP:  9.14D-01
 E= -1013.45130859922     Delta-E=       -0.000000000102 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45130859922     IErMin= 7 ErrMin= 1.36D-07
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-11 BMatP= 1.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.168D-04 0.118D-01 0.951D-02 0.346D-01 0.598D-01 0.343D+00
 Coeff-Com:  0.541D+00
 Coeff:     -0.168D-04 0.118D-01 0.951D-02 0.346D-01 0.598D-01 0.343D+00
 Coeff:      0.541D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.43D-08 MaxDP=5.70D-07 DE=-1.02D-10 OVMax= 7.97D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.08D-08    CP:  1.00D+00  9.69D-01  3.52D-01  6.17D-01  6.85D-01
                    CP:  8.97D-01  7.65D-01
 E= -1013.45130859915     Delta-E=        0.000000000070 Rises=F Damp=F
 DIIS: error= 2.69D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45130859922     IErMin= 8 ErrMin= 2.69D-08
 ErrMax= 2.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-12 BMatP= 1.47D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.594D-05 0.206D-02 0.175D-02 0.656D-02 0.142D-01 0.107D+00
 Coeff-Com:  0.266D+00 0.602D+00
 Coeff:     -0.594D-05 0.206D-02 0.175D-02 0.656D-02 0.142D-01 0.107D+00
 Coeff:      0.266D+00 0.602D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.17D-09 MaxDP=2.57D-07 DE= 7.00D-11 OVMax= 3.83D-07

 Error on total polarization charges =  0.04310
 SCF Done:  E(RB97D) =  -1013.45130860     A.U. after    8 cycles
            NFock=  8  Conv=0.52D-08     -V/T= 2.0213
 KE= 9.923503036829D+02 PE=-6.027284924395D+03 EE= 2.173599098948D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:08:25 2016, MaxMem=  2952790016 cpu:      1108.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11976 LenP2D=   37492.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 03:08:33 2016, MaxMem=  2952790016 cpu:        97.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:08:33 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:09:10 2016, MaxMem=  2952790016 cpu:       439.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19703274D+00-2.66616814D+00 3.28074591D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000008233    0.000268739   -0.000069065
      2        6          -0.000115409    0.000077476    0.000198922
      3        8           0.000032324   -0.000113170   -0.000123517
      4        7           0.000040031    0.000013407   -0.000046680
      5        1           0.000072592    0.000040726   -0.000072895
      6        6          -0.000057476    0.000132608   -0.000081655
      7        1           0.000016623   -0.000000337    0.000043755
      8        1           0.000112024   -0.000021238    0.000117983
      9        1           0.000067334    0.000065906    0.000093825
     10        6          -0.000012957    0.000031110   -0.000050024
     11        1           0.000005992   -0.000012617    0.000031424
     12        1           0.000037985    0.000010802   -0.000034295
     13        1           0.000039663    0.000024428    0.000022759
     14        6          -0.000019465    0.000020704    0.000002364
     15        8          -0.000015352   -0.000047758   -0.000025692
     16        7          -0.000022098    0.000041471   -0.000046549
     17        1           0.000029976    0.000009822   -0.000022001
     18        6          -0.000002290   -0.000013259   -0.000029118
     19        1          -0.000001191    0.000043396   -0.000066350
     20        1          -0.000002177   -0.000009140   -0.000045267
     21        1          -0.000018675   -0.000032626   -0.000037100
     22        6           0.000026600    0.000023033   -0.000047634
     23        1           0.000022916   -0.000005864   -0.000051229
     24        1           0.000057908   -0.000017695   -0.000024042
     25        1           0.000011173    0.000030252   -0.000039892
     26        6           0.000013969    0.000102306   -0.000011750
     27        8           0.000009324   -0.000067663    0.000082500
     28        7          -0.000017118   -0.000008143    0.000089496
     29        1          -0.000023108   -0.000008019    0.000014461
     30        6           0.000007085   -0.000068593    0.000039663
     31        1           0.000040360    0.000034444   -0.000022042
     32        1           0.000004045   -0.000017863   -0.000008550
     33        1          -0.000040019    0.000007428   -0.000004486
     34        6           0.000015411    0.000036345    0.000006308
     35        1          -0.000023092   -0.000015635    0.000003148
     36        1          -0.000048778   -0.000011784    0.000013342
     37        1          -0.000009655   -0.000036569   -0.000004381
     38        6          -0.000062835   -0.000093593   -0.000034701
     39        8           0.000053553   -0.000224696    0.000173264
     40        7          -0.000102542   -0.000207648    0.000067831
     41        1          -0.000061708    0.000033036   -0.000064134
     42        6          -0.000043017    0.000194888    0.000128821
     43        1          -0.000039022   -0.000071209    0.000042377
     44        1           0.000036841   -0.000003245   -0.000033530
     45        1           0.000095492   -0.000111427    0.000093033
     46        6           0.000009772   -0.000015883   -0.000201432
     47        1          -0.000059161    0.000018245    0.000017070
     48        1          -0.000041327   -0.000005962    0.000029742
     49        1          -0.000028754   -0.000018938   -0.000014078
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000268739 RMS     0.000067122
 Leave Link  716 at Mon Nov 14 03:09:10 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000269451 RMS     0.000019110
 Search for a local minimum.
 Step number  66 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .19110D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   41   42   43   44   45
                                                     46   47   48   49   51
                                                     53   55   56   57   59
                                                     60   61   62   63   64
                                                     65   66
 DE= -8.95D-07 DEPred=-1.08D-06 R= 8.30D-01
 TightC=F SS=  1.41D+00  RLast= 5.61D-02 DXNew= 1.1796D-01 1.6838D-01
 Trust test= 8.30D-01 RLast= 5.61D-02 DXMaxT set to 1.18D-01
 ITU=  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1
 ITU=  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  0
     Eigenvalues ---    0.00000   0.00013   0.00064   0.00092   0.00108
     Eigenvalues ---    0.00156   0.00196   0.00271   0.00361   0.00404
     Eigenvalues ---    0.00513   0.00556   0.00587   0.00685   0.00714
     Eigenvalues ---    0.00754   0.00802   0.00891   0.01007   0.01025
     Eigenvalues ---    0.01122   0.01168   0.01186   0.01280   0.01301
     Eigenvalues ---    0.01383   0.01438   0.01541   0.01586   0.01644
     Eigenvalues ---    0.01666   0.01708   0.01797   0.01841   0.01877
     Eigenvalues ---    0.01977   0.02042   0.02099   0.02129   0.02259
     Eigenvalues ---    0.02326   0.02405   0.02640   0.02917   0.03059
     Eigenvalues ---    0.03131   0.03914   0.03996   0.04314   0.04554
     Eigenvalues ---    0.04771   0.05275   0.05482   0.05595   0.05866
     Eigenvalues ---    0.06187   0.06324   0.06351   0.06538   0.06856
     Eigenvalues ---    0.06916   0.07156   0.07559   0.07959   0.08036
     Eigenvalues ---    0.08120   0.08140   0.08223   0.08417   0.08479
     Eigenvalues ---    0.08642   0.08770   0.08966   0.09133   0.09448
     Eigenvalues ---    0.09622   0.09787   0.09903   0.10046   0.10278
     Eigenvalues ---    0.10353   0.10455   0.10502   0.10858   0.11140
     Eigenvalues ---    0.11232   0.11240   0.11632   0.12236   0.13167
     Eigenvalues ---    0.13605   0.14195   0.14506   0.15085   0.15177
     Eigenvalues ---    0.15618   0.16484   0.20887   0.22359   0.22697
     Eigenvalues ---    0.23334   0.23588   0.24872   0.25437   0.25530
     Eigenvalues ---    0.26894   0.27454   0.28164   0.29258   0.29618
     Eigenvalues ---    0.29933   0.31725   0.32777   0.32816   0.32824
     Eigenvalues ---    0.32891   0.33296   0.33349   0.33373   0.33380
     Eigenvalues ---    0.33397   0.33424   0.33491   0.33548   0.33701
     Eigenvalues ---    0.33793   0.33814   0.33836   0.33921   0.33962
     Eigenvalues ---    0.34026   0.34112   0.34631   0.37311   0.38819
     Eigenvalues ---    0.40699   0.41621   0.85907   0.86091   0.87094
     Eigenvalues ---    0.89164
 Eigenvalue     1 is   7.65D-07 Eigenvector:
                         D381      D373      D383      D375      D369
   1                   -0.19435  -0.18938  -0.18895  -0.18558  -0.18214
                         D371      D397      D399      D389      D379
   1                   -0.18134  -0.17929  -0.17745  -0.17706  -0.17665
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    66   65   64   63   62
 RFO step:  Lambda=-1.29025358D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC= -2.15D-05 SmlDif=  1.00D-05
 RMS Error=  0.2241225022D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.21183    0.42859   -1.32523    0.23439    0.45043
 Maximum step size (   0.118) exceeded in Quadratic search.
    -- Step size scaled by   0.993
 Iteration  1 RMS(Cart)=  0.00881476 RMS(Int)=  0.00117547
 Iteration  2 RMS(Cart)=  0.00141600 RMS(Int)=  0.00002703
 Iteration  3 RMS(Cart)=  0.00000964 RMS(Int)=  0.00002132
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002132
 ITry= 1 IFail=0 DXMaxC= 1.20D-01 DCOld= 1.00D+10 DXMaxT= 1.18D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59396   0.00002  -0.00100   0.00513   0.00413   6.59809
    R2        6.26257   0.00003   0.00156  -0.00646  -0.00491   6.25766
    R3        7.26233   0.00005   0.00552  -0.01274  -0.00722   7.25511
    R4        6.35966   0.00003   0.00155  -0.01141  -0.00987   6.34979
    R5        6.52554   0.00004  -0.00374   0.00723   0.00349   6.52903
    R6        5.98373   0.00000   0.00029   0.01139   0.01168   5.99541
    R7        6.69698   0.00000  -0.00116  -0.00217  -0.00333   6.69366
    R8        6.23118  -0.00001   0.00040   0.00221   0.00262   6.23380
    R9        6.65790   0.00002   0.00010  -0.00087  -0.00077   6.65713
   R10        6.07674   0.00000   0.00194   0.00104   0.00298   6.07972
   R11        6.96177  -0.00001   0.00030   0.00388   0.00419   6.96596
   R12        6.03148   0.00000   0.00115   0.00184   0.00298   6.03447
   R13        6.86987  -0.00001  -0.00118   0.00361   0.00243   6.87230
   R14        6.19723   0.00001  -0.00045   0.00413   0.00366   6.20089
   R15        6.87807   0.00000  -0.00030   0.00581   0.00548   6.88355
   R16        5.96247   0.00002  -0.00211  -0.00093  -0.00303   5.95944
   R17        6.68914   0.00004   0.00051   0.00303   0.00353   6.69267
   R18        6.66606  -0.00004  -0.01219  -0.02031  -0.03253   6.63353
   R19        6.20996  -0.00002   0.00048  -0.00125  -0.00084   6.20913
   R20        6.60964   0.00001  -0.00284  -0.00421  -0.00707   6.60256
   R21        6.07606   0.00000   0.00893   0.01912   0.02802   6.10407
   R22        6.94058  -0.00002   0.00863   0.01054   0.01911   6.95968
   R23        5.96916   0.00003   0.00555   0.00558   0.01115   5.98031
   R24        2.34967   0.00016  -0.00004  -0.00022  -0.00027   2.34941
   R25        2.57118   0.00004  -0.00001   0.00035   0.00035   2.57153
   R26        2.09489  -0.00003  -0.00007  -0.00002  -0.00009   2.09481
   R27        2.76500   0.00007   0.00001   0.00103   0.00103   2.76603
   R28        2.76832   0.00001   0.00026   0.00006   0.00033   2.76865
   R29        2.07660  -0.00002   0.00005  -0.00012  -0.00007   2.07653
   R30        2.08205   0.00008  -0.00013   0.00020   0.00007   2.08211
   R31        2.08285   0.00003  -0.00011   0.00009  -0.00002   2.08282
   R32        2.08091   0.00002  -0.00005   0.00004  -0.00002   2.08089
   R33        2.07467   0.00002   0.00000   0.00007   0.00007   2.07474
   R34        2.08350   0.00001  -0.00007   0.00010   0.00003   2.08353
   R35        2.34885   0.00001  -0.00001   0.00004   0.00003   2.34888
   R36        2.57150   0.00002  -0.00011  -0.00004  -0.00015   2.57135
   R37        2.09409   0.00001   0.00000   0.00004   0.00004   2.09413
   R38        2.76857   0.00000  -0.00003   0.00008   0.00004   2.76861
   R39        2.76490   0.00002  -0.00007   0.00000  -0.00006   2.76484
   R40        2.08164   0.00002  -0.00019   0.00003  -0.00016   2.08148
   R41        2.08399   0.00001  -0.00001   0.00000  -0.00001   2.08398
   R42        2.07426  -0.00001   0.00002  -0.00004  -0.00002   2.07424
   R43        2.08315   0.00001  -0.00004  -0.00003  -0.00006   2.08309
   R44        2.08354  -0.00003  -0.00003  -0.00022  -0.00028   2.08326
   R45        2.07666  -0.00001   0.00000  -0.00006  -0.00006   2.07660
   R46        2.34856  -0.00003  -0.00009  -0.00002  -0.00011   2.34845
   R47        2.57170   0.00001   0.00007  -0.00017  -0.00008   2.57162
   R48        2.09348   0.00001   0.00001  -0.00003  -0.00002   2.09346
   R49        2.76469   0.00003  -0.00007  -0.00030  -0.00034   2.76435
   R50        2.76867  -0.00002   0.00001  -0.00019  -0.00018   2.76849
   R51        2.08436   0.00000  -0.00001  -0.00002  -0.00003   2.08432
   R52        2.08251   0.00000   0.00031   0.00012   0.00049   2.08299
   R53        2.07600   0.00000   0.00001   0.00003   0.00003   2.07604
   R54        2.08524  -0.00001   0.00004   0.00004   0.00008   2.08531
   R55        2.07362   0.00002  -0.00008  -0.00014  -0.00022   2.07340
   R56        2.07810   0.00001   0.00001   0.00001   0.00002   2.07812
   R57        2.34846  -0.00027  -0.00010  -0.00035  -0.00045   2.34802
   R58        2.57212  -0.00002   0.00022  -0.00050  -0.00013   2.57199
   R59        2.09586  -0.00003  -0.00012   0.00002  -0.00009   2.09576
   R60        2.76890   0.00011   0.00048   0.00044   0.00101   2.76992
   R61        2.76592  -0.00013   0.00034  -0.00027   0.00021   2.76613
   R62        2.07503  -0.00003   0.00009   0.00024   0.00034   2.07537
   R63        2.08400  -0.00003   0.00003  -0.00019  -0.00016   2.08384
   R64        2.07932   0.00008   0.00018   0.00011   0.00033   2.07966
   R65        2.07604   0.00000  -0.00004  -0.00020  -0.00024   2.07581
   R66        2.08420   0.00000   0.00019  -0.00011   0.00013   2.08433
   R67        2.08291   0.00000  -0.00005  -0.00019  -0.00025   2.08266
    A1        0.67961   0.00001  -0.00040   0.00095   0.00055   0.68016
    A2        0.95599   0.00002  -0.00101   0.00166   0.00065   0.95664
    A3        0.72741   0.00000   0.00040  -0.00076  -0.00035   0.72705
    A4        1.01907   0.00000   0.00025  -0.00069  -0.00044   1.01863
    A5        2.34347  -0.00001   0.00085   0.00018   0.00103   2.34450
    A6        2.02514  -0.00001   0.00119   0.00164   0.00283   2.02797
    A7        1.98161  -0.00001   0.00157   0.00376   0.00534   1.98694
    A8        1.68818  -0.00002   0.00153   0.00392   0.00546   1.69364
    A9        1.65481  -0.00002   0.00101   0.00095   0.00198   1.65679
   A10        1.37365  -0.00001   0.00114   0.00145   0.00260   1.37626
   A11        1.73192   0.00000  -0.00092  -0.00166  -0.00259   1.72933
   A12        2.03662   0.00000  -0.00063  -0.00228  -0.00291   2.03370
   A13        1.94112  -0.00001  -0.00023  -0.00249  -0.00272   1.93839
   A14        2.02599  -0.00001  -0.00045  -0.00453  -0.00498   2.02101
   A15        2.43157   0.00000  -0.00081  -0.00219  -0.00301   2.42856
   A16        1.56649   0.00003   0.00373   0.01064   0.01440   1.58089
   A17        1.77073   0.00002   0.00185   0.00714   0.00900   1.77973
   A18        1.55645   0.00002  -0.00060   0.00163   0.00105   1.55750
   A19        1.69777   0.00003  -0.00056   0.00054  -0.00001   1.69776
   A20        2.17966   0.00000   0.00114   0.00609   0.00719   2.18685
   A21        2.39701   0.00001   0.00049   0.00449   0.00495   2.40196
   A22        0.64233   0.00001  -0.00009   0.00131   0.00122   0.64355
   A23        0.65880   0.00000  -0.00009  -0.00013  -0.00023   0.65857
   A24        2.39290   0.00000  -0.00020   0.00015  -0.00006   2.39284
   A25        2.22157  -0.00001   0.00056   0.00248   0.00304   2.22462
   A26        2.32277  -0.00001   0.00128   0.00438   0.00567   2.32844
   A27        2.05847  -0.00001   0.00135   0.00446   0.00581   2.06428
   A28        1.81430  -0.00001   0.00057   0.00265   0.00322   1.81752
   A29        1.57395  -0.00001   0.00094   0.00320   0.00415   1.57810
   A30        1.33916   0.00000  -0.00077  -0.00177  -0.00254   1.33662
   A31        1.63783   0.00000  -0.00072  -0.00207  -0.00279   1.63504
   A32        1.58636  -0.00001  -0.00073  -0.00188  -0.00262   1.58375
   A33        1.73531  -0.00001  -0.00116  -0.00371  -0.00488   1.73043
   A34        2.03522  -0.00001  -0.00071  -0.00227  -0.00298   2.03223
   A35        1.82513   0.00003   0.00538   0.01131   0.01674   1.84187
   A36        1.89945   0.00002   0.00320   0.00672   0.00993   1.90937
   A37        1.55728   0.00001   0.00142   0.00268   0.00414   1.56142
   A38        1.57830   0.00002   0.00124   0.00122   0.00247   1.58078
   A39        2.26419   0.00000   0.00125   0.00282   0.00402   2.26821
   A40        2.35442   0.00000   0.00060   0.00062   0.00120   2.35562
   A41        0.68830   0.00001  -0.00033   0.00100   0.00067   0.68898
   A42        0.74469   0.00000  -0.00090   0.00113   0.00023   0.74492
   A43        2.65606   0.00000  -0.00120   0.00041  -0.00080   2.65526
   A44        2.59936   0.00000  -0.00002   0.00364   0.00362   2.60298
   A45        2.65980   0.00000   0.00125   0.00444   0.00569   2.66549
   A46        2.35521   0.00000   0.00134   0.00404   0.00537   2.36058
   A47        2.19213   0.00000   0.00006   0.00398   0.00404   2.19618
   A48        1.95854   0.00000   0.00051   0.00430   0.00482   1.96336
   A49        1.09515  -0.00001  -0.00116  -0.00156  -0.00273   1.09242
   A50        1.45488   0.00000  -0.00119  -0.00163  -0.00282   1.45206
   A51        1.55368  -0.00001  -0.00145  -0.00107  -0.00252   1.55116
   A52        1.78673  -0.00001  -0.00185  -0.00245  -0.00429   1.78243
   A53        1.78286  -0.00001  -0.00093  -0.00215  -0.00309   1.77978
   A54        1.68192   0.00003   0.00673   0.01067   0.01744   1.69935
   A55        1.62793   0.00002   0.00408   0.00526   0.00934   1.63727
   A56        1.23280   0.00000   0.00272   0.00234   0.00510   1.23790
   A57        1.20486   0.00001   0.00206   0.00038   0.00246   1.20731
   A58        1.93394  -0.00001   0.00152   0.00021   0.00168   1.93562
   A59        1.97775   0.00000   0.00100  -0.00108  -0.00009   1.97766
   A60        0.83995   0.00001   0.00123   0.00082   0.00206   0.84200
   A61        0.77508   0.00000   0.00113   0.00083   0.00197   0.77705
   A62        2.59784  -0.00001   0.00098  -0.00170  -0.00072   2.59712
   A63        2.76526   0.00000   0.00153   0.00266   0.00418   2.76944
   A64        2.61334   0.00001  -0.00008   0.00423   0.00413   2.61748
   A65        2.39112   0.00000   0.00148   0.00420   0.00568   2.39681
   A66        2.19738   0.00000   0.00147   0.00477   0.00625   2.20363
   A67        0.85298  -0.00002   0.00030  -0.00216  -0.00186   0.85112
   A68        1.22918  -0.00002   0.00046  -0.00229  -0.00183   1.22735
   A69        1.40704  -0.00002   0.00066  -0.00175  -0.00108   1.40596
   A70        1.67636  -0.00002   0.00046  -0.00284  -0.00236   1.67400
   A71        1.52023  -0.00002   0.00020  -0.00285  -0.00265   1.51758
   A72        1.69718   0.00004   0.00442   0.01070   0.01513   1.71231
   A73        1.53922   0.00002   0.00201   0.00510   0.00711   1.54633
   A74        1.11291   0.00000   0.00147   0.00377   0.00527   1.11818
   A75        1.00798   0.00001   0.00125   0.00129   0.00257   1.01055
   A76        1.76914   0.00000  -0.00043  -0.00101  -0.00147   1.76767
   A77        1.75459  -0.00001  -0.00018  -0.00206  -0.00225   1.75234
   A78        1.99447   0.00000  -0.00064   0.00002  -0.00063   1.99384
   A79        1.93892  -0.00001   0.00004   0.00247   0.00250   1.94142
   A80        2.21807  -0.00001   0.00064   0.00425   0.00488   2.22295
   A81        2.07613  -0.00001   0.00091   0.00485   0.00576   2.08188
   A82        1.55123  -0.00001   0.00028   0.00337   0.00365   1.55488
   A83        1.38530  -0.00001   0.00088   0.00403   0.00491   1.39021
   A84        1.19966   0.00000  -0.00011  -0.00196  -0.00208   1.19759
   A85        1.38385   0.00000  -0.00027  -0.00219  -0.00246   1.38139
   A86        1.21487  -0.00001  -0.00054  -0.00179  -0.00233   1.21253
   A87        1.31743   0.00000  -0.00118  -0.00359  -0.00478   1.31265
   A88        1.81025   0.00000  -0.00030  -0.00243  -0.00273   1.80752
   A89        2.25673   0.00003   0.00535   0.01091   0.01630   2.27303
   A90        2.30935   0.00002   0.00365   0.00639   0.01005   2.31940
   A91        1.92036   0.00001   0.00248   0.00348   0.00599   1.92635
   A92        1.84733   0.00002   0.00250   0.00226   0.00477   1.85211
   A93        2.60852   0.00000   0.00090   0.00004   0.00088   2.60941
   A94        2.54741   0.00001   0.00012  -0.00284  -0.00274   2.54467
   A95        1.91239   0.00000  -0.00032  -0.00087  -0.00119   1.91120
   A96        1.99269   0.00000   0.00048   0.00149   0.00196   1.99465
   A97        2.36908   0.00000   0.00091   0.00279   0.00369   2.37277
   A98        2.32395  -0.00001   0.00131   0.00402   0.00533   2.32928
   A99        1.66459  -0.00001   0.00093   0.00297   0.00390   1.66849
   A100       1.57182  -0.00001   0.00161   0.00358   0.00519   1.57701
   A101       0.89277   0.00000  -0.00041  -0.00151  -0.00193   0.89085
   A102       1.06155   0.00000  -0.00050  -0.00191  -0.00242   1.05913
   A103       0.92965  -0.00001  -0.00062  -0.00173  -0.00235   0.92730
   A104       1.08752  -0.00001  -0.00107  -0.00355  -0.00461   1.08291
   A105       1.48786   0.00000  -0.00053  -0.00215  -0.00268   1.48517
   A106       2.42604   0.00003   0.00582   0.01179   0.01764   2.44368
   A107       2.31189   0.00002   0.00302   0.00580   0.00880   2.32069
   A108       1.88178   0.00000   0.00265   0.00506   0.00774   1.88952
   A109       1.71439   0.00001   0.00242   0.00368   0.00611   1.72050
   A110       2.44879   0.00001  -0.00066  -0.00238  -0.00307   2.44572
   A111       2.28479   0.00001  -0.00081  -0.00357  -0.00437   2.28042
   A112       0.71380   0.00000   0.00003   0.00017   0.00019   0.71399
   A113       1.00516   0.00000  -0.00005   0.00007   0.00002   1.00518
   A114       0.69532   0.00001   0.00000  -0.00016  -0.00016   0.69517
   A115       0.98279   0.00000   0.00000  -0.00041  -0.00042   0.98237
   A116       1.80677   0.00001   0.00037  -0.00092  -0.00054   1.80623
   A117       1.42517   0.00001   0.00029  -0.00071  -0.00042   1.42475
   A118       1.19335   0.00001   0.00029  -0.00024   0.00004   1.19339
   A119       0.92160   0.00001   0.00053   0.00123   0.00175   0.92336
   A120       1.24912   0.00001   0.00027  -0.00075  -0.00048   1.24864
   A121       1.94214  -0.00003  -0.00552  -0.01075  -0.01630   1.92584
   A122       1.97894  -0.00002  -0.00299  -0.00650  -0.00949   1.96945
   A123       2.32980  -0.00001  -0.00106  -0.00266  -0.00375   2.32605
   A124       2.24122  -0.00002  -0.00039  -0.00079  -0.00118   2.24003
   A125       1.62584   0.00000  -0.00111  -0.00313  -0.00421   1.62164
   A126       1.49746   0.00000  -0.00092  -0.00268  -0.00359   1.49387
   A127       0.65571   0.00000  -0.00015  -0.00018  -0.00033   0.65537
   A128       0.66057   0.00000  -0.00012  -0.00027  -0.00040   0.66017
   A129       2.17119   0.00001   0.00067  -0.00015   0.00052   2.17172
   A130       1.79784   0.00001   0.00055  -0.00011   0.00043   1.79827
   A131       1.50626   0.00001   0.00071   0.00075   0.00145   1.50771
   A132       1.21499   0.00001   0.00082   0.00165   0.00247   1.21745
   A133       1.64231   0.00001   0.00027  -0.00072  -0.00045   1.64186
   A134       1.78723  -0.00003  -0.00584  -0.01121  -0.01707   1.77016
   A135       1.97793  -0.00002  -0.00356  -0.00749  -0.01106   1.96688
   A136       2.40502   0.00000  -0.00299  -0.00644  -0.00946   2.39556
   A137       2.47887  -0.00001  -0.00206  -0.00407  -0.00615   2.47273
   A138       1.73473   0.00000  -0.00109  -0.00292  -0.00399   1.73073
   A139       1.70529   0.00000  -0.00107  -0.00273  -0.00380   1.70150
   A140       0.70449   0.00000  -0.00002  -0.00018  -0.00020   0.70430
   A141       0.83280   0.00000  -0.00025   0.00020  -0.00005   0.83275
   A142       2.49774   0.00001   0.00003  -0.00160  -0.00157   2.49617
   A143       2.11780   0.00001   0.00000  -0.00118  -0.00118   2.11662
   A144       1.90256   0.00001   0.00044   0.00022   0.00064   1.90321
   A145       1.61964   0.00001   0.00069   0.00157   0.00225   1.62189
   A146       1.83455   0.00001  -0.00035  -0.00185  -0.00221   1.83234
   A147       1.36145  -0.00003  -0.00581  -0.01119  -0.01701   1.34444
   A148       1.59097  -0.00002  -0.00360  -0.00752  -0.01112   1.57985
   A149       2.02078   0.00000  -0.00356  -0.00754  -0.01112   2.00966
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   A159       2.14500   0.00002  -0.00040  -0.00183  -0.00224   2.14276
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   A169       1.20024   0.00000   0.00103   0.00180   0.00282   1.20306
   A170       1.86953   0.00001   0.00075   0.00026   0.00100   1.87053
   A171       1.98694  -0.00002  -0.00531  -0.01011  -0.01544   1.97149
   A172       2.28543  -0.00001  -0.00357  -0.00749  -0.01107   2.27436
   A173       2.70106   0.00001  -0.00400  -0.00835  -0.01237   2.68869
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   A175       2.11297   0.00001  -0.00110  -0.00299  -0.00408   2.10889
   A176       2.27162   0.00000   0.00184   0.00208   0.00392   2.27554
   A177       2.05151   0.00000   0.00164   0.00133   0.00297   2.05448
   A178       1.64233   0.00000   0.00169   0.00191   0.00358   1.64591
   A179       1.39061   0.00000   0.00130   0.00098   0.00227   1.39289
   A180       2.13550   0.00001   0.00105   0.00007   0.00112   2.13662
   A181       1.91420  -0.00001  -0.00464  -0.00730  -0.01196   1.90224
   A182       2.28214   0.00000  -0.00339  -0.00550  -0.00891   2.27323
   A183       2.60015   0.00001  -0.00413  -0.00682  -0.01098   2.58917
   A184       2.25976   0.00001  -0.00114  -0.00180  -0.00295   2.25680
   A185       2.33044   0.00001  -0.00134  -0.00255  -0.00388   2.32655
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   A187       0.98219   0.00000   0.00008  -0.00090  -0.00080   0.98139
   A188       0.70034   0.00000   0.00008  -0.00046  -0.00038   0.69996
   A189       2.09698   0.00001   0.00287   0.00553   0.00836   2.10534
   A190       1.72362   0.00001   0.00126   0.00257   0.00382   1.72744
   A191       1.39071  -0.00001   0.00264   0.00591   0.00858   1.39929
   A192       1.08764  -0.00002   0.00239   0.00508   0.00748   1.09512
   A193       1.62038   0.00000  -0.00118  -0.00301  -0.00418   1.61620
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   A197       1.85544   0.00000   0.00020   0.00036   0.00055   1.85600
   A198       1.63080  -0.00001   0.00235   0.00522   0.00759   1.63839
   A199       1.31233  -0.00003   0.00203   0.00462   0.00666   1.31900
   A200       1.61293   0.00000  -0.00168  -0.00399  -0.00564   1.60729
   A201       1.34005   0.00000  -0.00112  -0.00332  -0.00442   1.33563
   A202       0.70964   0.00001   0.00000  -0.00054  -0.00053   0.70911
   A203       2.63954   0.00000  -0.00054  -0.00169  -0.00236   2.63718
   A204       2.25323   0.00000  -0.00018  -0.00084  -0.00103   2.25220
   A205       2.04070  -0.00001   0.00242   0.00494   0.00739   2.04809
   A206       1.72265  -0.00002   0.00210   0.00428   0.00641   1.72906
   A207       1.95316   0.00001  -0.00182  -0.00471  -0.00649   1.94668
   A208       1.66646   0.00001  -0.00127  -0.00394  -0.00520   1.66126
   A209       0.83483   0.00000   0.00044   0.00090   0.00135   0.83618
   A210       2.68859  -0.00002  -0.00302  -0.00550  -0.00861   2.67998
   A211       2.38603   0.00000  -0.00068  -0.00117  -0.00185   2.38418
   A212       2.28529  -0.00001   0.00244   0.00510   0.00757   2.29286
   A213       1.96939  -0.00002   0.00214   0.00459   0.00677   1.97615
   A214       2.01120   0.00001  -0.00132  -0.00281  -0.00408   2.00712
   A215       1.73102   0.00001  -0.00083  -0.00207  -0.00288   1.72814
   A216       1.93363  -0.00001  -0.00099  -0.00224  -0.00328   1.93036
   A217       1.56476  -0.00001  -0.00070  -0.00143  -0.00212   1.56264
   A218       1.48543  -0.00002   0.00162   0.00375   0.00538   1.49081
   A219       1.19393  -0.00003   0.00126   0.00338   0.00465   1.19858
   A220       1.24392   0.00001  -0.00180  -0.00415  -0.00592   1.23800
   A221       0.95811   0.00000  -0.00124  -0.00338  -0.00461   0.95350
   A222       0.71791   0.00002   0.00103   0.00127   0.00232   0.72023
   A223       1.00974   0.00003   0.00062   0.00074   0.00139   1.01112
   A224       0.69829  -0.00002   0.00007   0.00037   0.00047   0.69876
   A225       0.98535  -0.00002  -0.00038  -0.00022  -0.00059   0.98476
   A226       0.65717   0.00002  -0.00062  -0.00107  -0.00166   0.65550
   A227       0.66558  -0.00001  -0.00035  -0.00019  -0.00052   0.66506
   A228       0.70849  -0.00001  -0.00043  -0.00060  -0.00099   0.70750
   A229       0.84590  -0.00001   0.00067   0.00168   0.00239   0.84829
   A230       0.76416  -0.00001  -0.00193  -0.00323  -0.00512   0.75904
   A231       0.77612  -0.00002  -0.00060  -0.00058  -0.00112   0.77500
   A232       1.58710   0.00002  -0.00398   0.01093   0.00695   1.59405
   A233       1.86419   0.00005   0.00261  -0.00755  -0.00493   1.85926
   A234       2.19043   0.00001  -0.00018   0.00066   0.00048   2.19091
   A235       2.12879  -0.00001   0.00004   0.00017   0.00021   2.12900
   A236       1.96355   0.00000   0.00011  -0.00080  -0.00070   1.96285
   A237       2.12395   0.00002  -0.00020   0.00012  -0.00009   2.12386
   A238       2.12662  -0.00002   0.00046  -0.00049  -0.00003   2.12659
   A239       2.03204   0.00000  -0.00031   0.00061   0.00030   2.03234
   A240       1.83451  -0.00001   0.00809  -0.00263   0.00546   1.83997
   A241       2.53998   0.00001  -0.00820   0.00234  -0.00585   2.53413
   A242       1.91384   0.00000   0.00011   0.00003   0.00012   1.91396
   A243       1.91675  -0.00001   0.00039   0.00077   0.00118   1.91792
   A244       1.91559   0.00001  -0.00147  -0.00097  -0.00241   1.91318
   A245       1.90987   0.00002   0.00022   0.00068   0.00090   1.91077
   A246       1.90817   0.00000   0.00014   0.00027   0.00041   1.90858
   A247       1.89951  -0.00001   0.00061  -0.00078  -0.00020   1.89932
   A248       1.27698   0.00002  -0.00349   0.00162  -0.00187   1.27510
   A249       1.90401  -0.00002  -0.00004  -0.00028  -0.00031   1.90370
   A250       1.90945   0.00001   0.00016  -0.00035  -0.00020   1.90925
   A251       1.92803   0.00002  -0.00028   0.00079   0.00051   1.92854
   A252       1.91112   0.00000   0.00010  -0.00022  -0.00011   1.91101
   A253       1.89834   0.00000   0.00008   0.00041   0.00049   1.89883
   A254       1.91276  -0.00002  -0.00002  -0.00035  -0.00037   1.91239
   A255       1.71977   0.00003  -0.00034  -0.00229  -0.00263   1.71713
   A256       1.76703  -0.00001  -0.00032   0.00105   0.00073   1.76776
   A257       2.19081   0.00001  -0.00006  -0.00030  -0.00036   2.19046
   A258       2.13004  -0.00001   0.00011   0.00009   0.00020   2.13024
   A259       1.96212  -0.00001  -0.00005   0.00021   0.00016   1.96228
   A260       2.12501   0.00000  -0.00007  -0.00006  -0.00013   2.12488
   A261       2.12308   0.00000  -0.00004  -0.00007  -0.00012   2.12296
   A262       2.03477   0.00001   0.00009   0.00007   0.00016   2.03493
   A263       1.34891   0.00001  -0.00111  -0.00211  -0.00322   1.34569
   A264       1.90041  -0.00001   0.00000  -0.00005  -0.00005   1.90036
   A265       1.93128   0.00001   0.00002  -0.00005  -0.00003   1.93126
   A266       1.91007   0.00000  -0.00004  -0.00006  -0.00009   1.90997
   A267       1.89718   0.00000   0.00000  -0.00002  -0.00003   1.89716
   A268       1.91309   0.00000  -0.00001   0.00012   0.00011   1.91320
   A269       1.91167  -0.00001   0.00003   0.00006   0.00008   1.91175
   A270       2.66562   0.00001   0.00084  -0.00244  -0.00160   2.66402
   A271       1.69776  -0.00001  -0.00085   0.00247   0.00162   1.69938
   A272       1.92465   0.00000  -0.00001   0.00008   0.00007   1.92472
   A273       1.91298   0.00000  -0.00011  -0.00005  -0.00018   1.91280
   A274       1.91340   0.00001  -0.00004   0.00001  -0.00003   1.91337
   A275       1.89426   0.00001  -0.00001  -0.00019  -0.00020   1.89407
   A276       1.91097   0.00000   0.00004  -0.00006  -0.00002   1.91095
   A277       1.90739  -0.00001   0.00014   0.00021   0.00035   1.90774
   A278       1.79959   0.00002  -0.00004  -0.00244  -0.00248   1.79711
   A279       1.75701  -0.00003  -0.00027   0.00282   0.00254   1.75956
   A280       2.19012  -0.00001   0.00043  -0.00047  -0.00005   2.19008
   A281       2.13023   0.00001  -0.00043   0.00012  -0.00030   2.12993
   A282       1.96275   0.00000   0.00000   0.00035   0.00035   1.96310
   A283       2.12309  -0.00003  -0.00018   0.00009  -0.00007   2.12301
   A284       2.11609   0.00000   0.00012  -0.00026  -0.00014   2.11595
   A285       2.04128   0.00003   0.00005   0.00012   0.00017   2.04145
   A286       2.69111   0.00004  -0.00159  -0.00745  -0.00904   2.68207
   A287       1.66827  -0.00004   0.00152   0.00702   0.00854   1.67681
   A288       1.92570   0.00000   0.00035  -0.00047  -0.00010   1.92559
   A289       1.91566   0.00000   0.00014   0.00053   0.00069   1.91635
   A290       1.91256   0.00000  -0.00018   0.00058   0.00039   1.91295
   A291       1.89060   0.00001  -0.00026  -0.00081  -0.00109   1.88951
   A292       1.91270   0.00000  -0.00006   0.00020   0.00014   1.91284
   A293       1.90641  -0.00001  -0.00001  -0.00004  -0.00005   1.90636
   A294       1.35884   0.00000   0.00106   0.00302   0.00409   1.36293
   A295       1.14805   0.00001  -0.00057  -0.00239  -0.00297   1.14509
   A296       1.93176   0.00000   0.00006  -0.00060  -0.00053   1.93123
   A297       1.90664   0.00000   0.00003   0.00036   0.00039   1.90703
   A298       1.90280  -0.00001   0.00004   0.00037   0.00040   1.90320
   A299       1.90977   0.00001   0.00000   0.00014   0.00014   1.90991
   A300       1.89763   0.00000  -0.00014  -0.00046  -0.00059   1.89703
   A301       1.91517   0.00000   0.00001   0.00019   0.00020   1.91537
   A302       1.70974  -0.00006  -0.00578  -0.00695  -0.01272   1.69702
   A303       1.77206   0.00005   0.00253   0.00142   0.00394   1.77600
   A304       2.19087  -0.00004   0.00031  -0.00131  -0.00096   2.18991
   A305       2.13041  -0.00001  -0.00043   0.00012  -0.00032   2.13009
   A306       1.96162   0.00005   0.00012   0.00120   0.00130   1.96291
   A307       2.12286   0.00004   0.00031  -0.00066  -0.00039   2.12247
   A308       2.12329  -0.00001  -0.00006   0.00101   0.00098   2.12428
   A309       2.03607  -0.00003  -0.00044  -0.00058  -0.00103   2.03504
   A310       1.31687  -0.00004  -0.00749  -0.01354  -0.02100   1.29586
   A311       3.04079   0.00002   0.00772   0.01398   0.02166   3.06246
   A312       1.90990  -0.00003  -0.00003   0.00041   0.00034   1.91023
   A313       1.93163   0.00001  -0.00131   0.00168   0.00041   1.93204
   A314       1.90204  -0.00003  -0.00099  -0.00112  -0.00206   1.89997
   A315       1.91083   0.00002   0.00076  -0.00028   0.00048   1.91131
   A316       1.91119   0.00001   0.00047   0.00004   0.00052   1.91171
   A317       1.89811   0.00002   0.00109  -0.00075   0.00032   1.89842
   A318       1.73504   0.00003   0.00665   0.01236   0.01901   1.75404
   A319       1.91414  -0.00001   0.00055   0.00054   0.00111   1.91526
   A320       1.91471   0.00003  -0.00056   0.00021  -0.00037   1.91433
   A321       1.92363  -0.00002  -0.00028  -0.00129  -0.00157   1.92206
   A322       1.90513   0.00002   0.00018   0.00074   0.00090   1.90603
   A323       1.91099  -0.00001  -0.00015  -0.00040  -0.00056   1.91043
   A324       1.89504   0.00000   0.00026   0.00022   0.00049   1.89553
   A325       2.93760   0.00001   0.00056   0.00542   0.00599   2.94358
   A326       3.35258   0.00002   0.00045   0.00150   0.00197   3.35455
   A327       3.07142   0.00002   0.00058   0.00199   0.00260   3.07402
   A328       3.18973   0.00000  -0.00351   0.00127  -0.00224   3.18749
   A329       3.26058   0.00000  -0.00108  -0.00205  -0.00314   3.25744
   A330       3.26861   0.00000   0.00106   0.00316   0.00423   3.27284
   A331       3.64602   0.00002   0.00649   0.01196   0.01845   3.66447
   A332       3.21418  -0.00001   0.00196   0.00253   0.00448   3.21867
   A333       2.99208   0.00001  -0.00369  -0.00682  -0.01052   2.98156
   A334       2.92616   0.00002  -0.00434  -0.00752  -0.01187   2.91429
   A335       3.22639   0.00002  -0.00013  -0.00399  -0.00413   3.22226
   A336       3.07914   0.00000   0.00041  -0.00012   0.00029   3.07943
   A337       3.10113   0.00001  -0.00025  -0.00156  -0.00180   3.09933
   A338       3.03817   0.00003   0.00088   0.00178   0.00267   3.04085
    D1        2.75821   0.00000   0.00101  -0.00217  -0.00116   2.75705
    D2       -1.36206   0.00001   0.00012   0.00043   0.00055  -1.36151
    D3        2.78300  -0.00002   0.00435  -0.00398   0.00038   2.78338
    D4       -1.33727   0.00000   0.00346  -0.00138   0.00209  -1.33518
    D5        1.66308  -0.00001   0.00166  -0.00391  -0.00225   1.66083
    D6       -2.45719   0.00001   0.00077  -0.00131  -0.00054  -2.45773
    D7        1.84609  -0.00001   0.00280  -0.00490  -0.00211   1.84398
    D8       -2.27418   0.00000   0.00191  -0.00230  -0.00040  -2.27458
    D9        0.32599  -0.00002   0.00360  -0.00274   0.00087   0.32685
   D10        2.48890  -0.00001   0.00271  -0.00014   0.00257   2.49148
   D11        0.03858  -0.00002   0.00273  -0.00564  -0.00290   0.03568
   D12        2.20150   0.00000   0.00184  -0.00304  -0.00119   2.20031
   D13       -0.43118  -0.00001   0.00239  -0.00651  -0.00410  -0.43529
   D14        1.73173   0.00000   0.00150  -0.00391  -0.00240   1.72934
   D15       -0.55199  -0.00001   0.00245  -0.00731  -0.00485  -0.55684
   D16        1.61093   0.00000   0.00156  -0.00471  -0.00314   1.60778
   D17        0.21673  -0.00001   0.00231  -0.00778  -0.00546   0.21126
   D18        2.37964   0.00000   0.00142  -0.00518  -0.00375   2.37589
   D19        0.15081  -0.00001   0.00166  -0.00848  -0.00681   0.14400
   D20        2.31372   0.00001   0.00077  -0.00588  -0.00510   2.30863
   D21        2.40800  -0.00001   0.00370  -0.00607  -0.00237   2.40563
   D22       -1.71227   0.00000   0.00281  -0.00347  -0.00066  -1.71293
   D23        2.16318  -0.00001   0.00401  -0.00635  -0.00234   2.16084
   D24       -1.95708   0.00000   0.00312  -0.00376  -0.00063  -1.95772
   D25        1.72224  -0.00001   0.00399  -0.00534  -0.00136   1.72088
   D26       -2.39803   0.00000   0.00310  -0.00274   0.00035  -2.39768
   D27        1.41561  -0.00001   0.00400  -0.00484  -0.00086   1.41475
   D28       -2.70465   0.00000   0.00311  -0.00224   0.00085  -2.70381
   D29        2.37118  -0.00001   0.00439  -0.00785  -0.00346   2.36772
   D30       -1.74909   0.00000   0.00350  -0.00525  -0.00175  -1.75084
   D31       -1.77138   0.00001   0.00724   0.00138   0.00861  -1.76277
   D32        0.39153   0.00002   0.00635   0.00398   0.01032   0.40186
   D33       -2.11293   0.00000   0.00517  -0.00233   0.00283  -2.11010
   D34        0.04999   0.00002   0.00428   0.00027   0.00454   0.05453
   D35       -2.48925  -0.00002   0.00632   0.00027   0.00662  -2.48264
   D36       -0.32634   0.00000   0.00543   0.00287   0.00833  -0.31801
   D37       -2.77535  -0.00002   0.00600  -0.00096   0.00506  -2.77029
   D38       -0.61244  -0.00001   0.00511   0.00164   0.00677  -0.60567
   D39       -2.12896   0.00000   0.00186  -0.00932  -0.00748  -2.13644
   D40        0.03396   0.00001   0.00097  -0.00672  -0.00577   0.02819
   D41       -2.38061   0.00000   0.00177  -0.01136  -0.00962  -2.39023
   D42       -0.21770   0.00001   0.00088  -0.00876  -0.00791  -0.22561
   D43        1.25974   0.00001  -0.00515   0.00301  -0.00215   1.25760
   D44       -1.92477   0.00001  -0.00312   0.00206  -0.00105  -1.92582
   D45        2.45568  -0.00001  -0.00382   0.00001  -0.00380   2.45189
   D46       -0.72883  -0.00001  -0.00178  -0.00093  -0.00271  -0.73153
   D47        2.94292  -0.00001  -0.00292  -0.00111  -0.00402   2.93890
   D48       -0.24159  -0.00001  -0.00088  -0.00205  -0.00293  -0.24452
   D49        2.86508   0.00001  -0.00241   0.00472   0.00231   2.86739
   D50       -0.31943   0.00000  -0.00037   0.00378   0.00341  -0.31603
   D51        2.05367   0.00000  -0.00189   0.00049  -0.00137   2.05230
   D52       -1.13084  -0.00001   0.00015  -0.00046  -0.00028  -1.13112
   D53        1.16506   0.00000  -0.00257  -0.00626  -0.00886   1.15619
   D54       -2.01945  -0.00001  -0.00053  -0.00721  -0.00777  -2.02722
   D55        1.02206   0.00000  -0.00339  -0.00517  -0.00858   1.01348
   D56       -2.16245  -0.00001  -0.00135  -0.00612  -0.00749  -2.16994
   D57        2.02412   0.00000  -0.00338  -0.00219  -0.00556   2.01856
   D58       -1.16039   0.00000  -0.00134  -0.00314  -0.00447  -1.16486
   D59        1.82937   0.00001  -0.00417  -0.00251  -0.00668   1.82269
   D60       -1.35514   0.00000  -0.00213  -0.00346  -0.00558  -1.36073
   D61       -2.27267   0.00000  -0.00243  -0.00184  -0.00426  -2.27693
   D62        0.82601   0.00000  -0.00039  -0.00279  -0.00317   0.82283
   D63       -2.41030   0.00001  -0.00283  -0.00138  -0.00421  -2.41451
   D64        0.68838   0.00000  -0.00079  -0.00233  -0.00312   0.68525
   D65       -2.81274   0.00000  -0.00294  -0.00084  -0.00378  -2.81653
   D66        0.28593   0.00000  -0.00090  -0.00179  -0.00269   0.28324
   D67       -2.99183   0.00000  -0.00338  -0.00163  -0.00502  -2.99685
   D68        0.10684   0.00000  -0.00134  -0.00258  -0.00393   0.10291
   D69       -2.13626   0.00001  -0.00319  -0.00116  -0.00436  -2.14062
   D70        0.96241   0.00000  -0.00115  -0.00211  -0.00326   0.95915
   D71       -0.16555   0.00000  -0.00252  -0.00096  -0.00353  -0.16908
   D72        2.93313   0.00000  -0.00048  -0.00190  -0.00244   2.93069
   D73       -0.55933   0.00000  -0.00309  -0.00162  -0.00472  -0.56406
   D74        2.53934   0.00000  -0.00106  -0.00257  -0.00363   2.53571
   D75       -0.73439  -0.00001  -0.00032   0.00444   0.00413  -0.73026
   D76        2.36429  -0.00001   0.00172   0.00350   0.00522   2.36951
   D77       -1.07256  -0.00002  -0.00030   0.00415   0.00387  -1.06868
   D78        2.02612  -0.00002   0.00173   0.00320   0.00496   2.03108
   D79       -0.83838   0.00001  -0.00528  -0.00632  -0.01157  -0.84995
   D80        2.26029   0.00000  -0.00324  -0.00727  -0.01048   2.24982
   D81       -1.14515   0.00001  -0.00493  -0.00562  -0.01053  -1.15568
   D82        1.95353   0.00000  -0.00290  -0.00657  -0.00944   1.94409
   D83       -1.53676   0.00001  -0.00166  -0.00005  -0.00172  -1.53848
   D84       -2.61170  -0.00001  -0.00088  -0.00162  -0.00251  -2.61420
   D85       -2.94887  -0.00002   0.00154  -0.00256  -0.00102  -2.94988
   D86        0.73512  -0.00001   0.00022   0.00048   0.00068   0.73580
   D87        0.31176  -0.00001   0.00012  -0.00025  -0.00013   0.31163
   D88       -0.06233  -0.00001   0.00066   0.00071   0.00138  -0.06095
   D89       -0.39958  -0.00001   0.00032  -0.00078  -0.00045  -0.40003
   D90        0.18279   0.00000  -0.00051  -0.00230  -0.00281   0.17997
   D91       -0.05501   0.00000  -0.00095  -0.00227  -0.00322  -0.05823
   D92        2.40577   0.00001   0.00082  -0.00140  -0.00058   2.40519
   D93        2.05600   0.00000   0.00061  -0.00146  -0.00087   2.05514
   D94        1.66367   0.00000   0.00067  -0.00137  -0.00072   1.66295
   D95        1.37556   0.00000   0.00038  -0.00164  -0.00129   1.37427
   D96        2.05643   0.00001   0.00031  -0.00133  -0.00103   2.05540
   D97       -1.91909   0.00002   0.00409   0.00339   0.00750  -1.91159
   D98       -2.44042   0.00001   0.00066  -0.00289  -0.00227  -2.44269
   D99       -2.66038  -0.00001   0.00258   0.00272   0.00529  -2.65508
   D100      -2.98643  -0.00003   0.00196   0.00206   0.00402  -2.98241
   D101      -2.89485   0.00001  -0.00394  -0.01362  -0.01750  -2.91236
   D102       2.85737   0.00000  -0.00300  -0.00973  -0.01266   2.84471
   D103      -2.90565   0.00001  -0.00202  -0.00811  -0.01013  -2.91578
   D104       1.19190   0.00001  -0.00191  -0.00775  -0.00966   1.18225
   D105       2.80588   0.00001  -0.00244  -0.00802  -0.01046   2.79542
   D106       0.62025   0.00001  -0.00233  -0.00766  -0.00999   0.61026
   D107       2.30754   0.00000  -0.00244  -0.01048  -0.01292   2.29463
   D108       0.12191   0.00000  -0.00234  -0.01011  -0.01244   0.10947
   D109       1.75117  -0.00002  -0.00228  -0.01027  -0.01255   1.73862
   D110      -0.43445  -0.00002  -0.00218  -0.00991  -0.01208  -0.44654
   D111       2.58861   0.00001  -0.00171  -0.00699  -0.00870   2.57991
   D112       0.40298   0.00001  -0.00160  -0.00662  -0.00822   0.39475
   D113       2.25157   0.00001  -0.00202  -0.00634  -0.00835   2.24322
   D114       0.06594   0.00001  -0.00191  -0.00598  -0.00788   0.05806
   D115      -1.61204   0.00000  -0.00005  -0.00052  -0.00056  -1.61261
   D116       2.48551   0.00000   0.00006  -0.00015  -0.00009   2.48542
   D117      -1.77397   0.00000  -0.00030  -0.00112  -0.00141  -1.77538
   D118       2.32358   0.00000  -0.00019  -0.00075  -0.00094   2.32265
   D119      -2.73521  -0.00001   0.00000  -0.00020  -0.00019  -2.73541
   D120       1.36234  -0.00001   0.00011   0.00017   0.00028   1.36262
   D121      -2.69877  -0.00001   0.00034  -0.00119  -0.00086  -2.69963
   D122       1.39879  -0.00001   0.00044  -0.00083  -0.00038   1.39840
   D123       1.32328   0.00000  -0.00167  -0.00446  -0.00612   1.31716
   D124      -0.86235   0.00000  -0.00156  -0.00410  -0.00565  -0.86800
   D125       1.29350   0.00000  -0.00173  -0.00414  -0.00587   1.28763
   D126      -0.89213   0.00000  -0.00162  -0.00378  -0.00540  -0.89753
   D127       1.64887   0.00001  -0.00175  -0.00431  -0.00605   1.64282
   D128      -0.53676   0.00001  -0.00164  -0.00395  -0.00558  -0.54234
   D129       1.77581   0.00000  -0.00119  -0.00201  -0.00319   1.77262
   D130      -0.40982   0.00000  -0.00108  -0.00165  -0.00272  -0.41254
   D131       0.89354   0.00000  -0.00166  -0.00392  -0.00558   0.88795
   D132      -1.29209   0.00000  -0.00156  -0.00356  -0.00511  -1.29720
   D133      -0.95243   0.00000  -0.00199  -0.00377  -0.00575  -0.95818
   D134      -3.13806   0.00000  -0.00188  -0.00341  -0.00528   3.13985
   D135      -0.52565   0.00000  -0.00219  -0.00451  -0.00671  -0.53235
   D136      -2.71128   0.00000  -0.00208  -0.00415  -0.00624  -2.71751
   D137      -0.22169   0.00001  -0.00546  -0.01127  -0.01674  -0.23843
   D138      -2.40732   0.00001  -0.00535  -0.01091  -0.01627  -2.42359
   D139       0.18497   0.00001  -0.00502  -0.01034  -0.01539   0.16959
   D140      -2.00065   0.00002  -0.00491  -0.00997  -0.01492  -2.01557
   D141      -0.31186   0.00000  -0.00021  -0.00052  -0.00075  -0.31261
   D142      -2.49749   0.00000  -0.00010  -0.00016  -0.00028  -2.49777
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   D145      -2.47330  -0.00001   0.00000  -0.00352  -0.00353  -2.47683
   D146      -2.72490   0.00000  -0.00090  -0.00268  -0.00359  -2.72849
   D147      -2.40845   0.00000  -0.00175   0.00300   0.00128  -2.40717
   D148       3.00332   0.00000  -0.00143  -0.00442  -0.00587   2.99745
   D149       2.62046   0.00000  -0.00190  -0.00619  -0.00810   2.61236
   D150       1.51820  -0.00001   0.00046   0.00060   0.00106   1.51926
   D151       2.61932   0.00000   0.00045   0.00034   0.00079   2.62011
   D152       2.99359  -0.00001   0.00071  -0.00046   0.00024   2.99383
   D153       1.18006   0.00000  -0.00224  -0.00535  -0.00758   1.17248
   D154       1.24385  -0.00001  -0.00152  -0.00341  -0.00492   1.23892
   D155       1.63551   0.00000  -0.00118  -0.00313  -0.00431   1.63120
   D156       1.71387   0.00000  -0.00036  -0.00038  -0.00073   1.71313
   D157       0.89491  -0.00001  -0.00111  -0.00217  -0.00328   0.89163
   D158      -1.00001   0.00001   0.00107   0.00230   0.00340  -0.99661
   D159      -0.67509   0.00001   0.00057   0.00137   0.00194  -0.67315
   D160      -0.70826   0.00001  -0.00179  -0.00340  -0.00519  -0.71345
   D161      -0.39704   0.00003  -0.00217  -0.00461  -0.00677  -0.40381
   D162      -0.29488  -0.00001   0.00105   0.00263   0.00365  -0.29124
   D163      -0.01450  -0.00001   0.00057   0.00188   0.00243  -0.01207
   D164      -1.28620   0.00000  -0.00183  -0.00425  -0.00608  -1.29228
   D165       1.66372   0.00000  -0.00161  -0.00413  -0.00574   1.65798
   D166      -1.65785   0.00000  -0.00211  -0.00348  -0.00559  -1.66344
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   D168      -1.73791   0.00000  -0.00253  -0.00223  -0.00476  -1.74267
   D169       1.21200   0.00000  -0.00231  -0.00211  -0.00441   1.20759
   D170      -1.99606  -0.00002   0.00013  -0.00409  -0.00396  -2.00002
   D171       0.95386  -0.00002   0.00035  -0.00397  -0.00362   0.95024
   D172      -2.00691   0.00000  -0.00215  -0.00387  -0.00602  -2.01293
   D173       0.94301   0.00000  -0.00193  -0.00375  -0.00568   0.93733
   D174      -2.30966   0.00000  -0.00218  -0.00374  -0.00592  -2.31558
   D175       0.64026   0.00000  -0.00196  -0.00361  -0.00557   0.63468
   D176       1.97758  -0.00001  -0.00049   0.00138   0.00090   1.97848
   D177      -1.35569  -0.00001  -0.00027   0.00151   0.00124  -1.35445
   D178       0.83113   0.00000  -0.00055   0.00084   0.00030   0.83143
   D179      -2.50214   0.00000  -0.00033   0.00096   0.00064  -2.50150
   D180       0.36668  -0.00001  -0.00067   0.00041  -0.00025   0.36643
   D181      -2.96659  -0.00001  -0.00045   0.00054   0.00010  -2.96650
   D182      -3.11045   0.00001  -0.00176  -0.00334  -0.00510  -3.11556
   D183      -0.16054   0.00001  -0.00154  -0.00322  -0.00476  -0.16530
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   D185      -0.42635   0.00000  -0.00165  -0.00240  -0.00404  -0.43039
   D186       3.06112   0.00001  -0.00161  -0.00180  -0.00340   3.05772
   D187      -0.27215   0.00001  -0.00139  -0.00167  -0.00306  -0.27521
   D188       2.96992   0.00000  -0.00086   0.00117   0.00032   2.97024
   D189      -0.36335   0.00000  -0.00064   0.00130   0.00066  -0.36269
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   D191      -0.87241   0.00000  -0.00175  -0.00227  -0.00402  -0.87643
   D192       0.31709   0.00002   0.00212   0.00685   0.00896   0.32606
   D193      -3.01618   0.00002   0.00234   0.00697   0.00931  -3.00687
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   D195      -2.70502   0.00001   0.00045   0.00365   0.00407  -2.70094
   D196       0.42999   0.00001  -0.00270  -0.00163  -0.00429   0.42570
   D197      -2.90328   0.00001  -0.00248  -0.00150  -0.00394  -2.90723
   D198       1.09655  -0.00001  -0.00006   0.00294   0.00285   1.09939
   D199      -2.23673  -0.00001   0.00016   0.00307   0.00319  -2.23353
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   D201      -1.89992  -0.00001  -0.00068   0.00153   0.00083  -1.89910
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   D203      -0.60467   0.00001  -0.00069   0.00118   0.00049  -0.60418
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   D205      -0.53146   0.00001   0.00030  -0.00012   0.00020  -0.53127
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   D209      -1.01316   0.00000  -0.00098  -0.00245  -0.00344  -1.01660
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   D211      -0.09979   0.00001   0.00081  -0.00017   0.00065  -0.09914
   D212       2.22953   0.00002   0.00008   0.00077   0.00086   2.23039
   D213       0.01727   0.00001   0.00069   0.00041   0.00112   0.01839
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   D218      -2.00622   0.00001   0.00116   0.00417   0.00532  -2.00090
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   D220      -2.11648   0.00000   0.00298   0.00860   0.01156  -2.10492
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   D224       3.05558   0.00000  -0.00046   0.00217   0.00173   3.05730
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   D296      -2.30025   0.00001  -0.00028  -0.00126  -0.00154  -2.30179
   D297      -0.23395   0.00001  -0.00066  -0.00177  -0.00243  -0.23637
   D298      -2.27417   0.00000   0.00036   0.00010   0.00046  -2.27370
   D299      -0.20786   0.00000  -0.00002  -0.00040  -0.00043  -0.20828
   D300      -1.88566   0.00000   0.00066   0.00063   0.00128  -1.88437
   D301       0.18065   0.00000   0.00027   0.00013   0.00039   0.18105
   D302      -1.82334   0.00001   0.00094   0.00097   0.00192  -1.82142
   D303       0.24297   0.00001   0.00056   0.00047   0.00103   0.24400
   D304      -2.61943   0.00000   0.00069   0.00110   0.00179  -2.61765
   D305      -0.55313   0.00000   0.00031   0.00059   0.00090  -0.55223
   D306      -2.74370  -0.00001   0.00137   0.00152   0.00290  -2.74081
   D307      -0.67740  -0.00001   0.00099   0.00102   0.00201  -0.67539
   D308       1.52105   0.00001  -0.00043  -0.00159  -0.00203   1.51902
   D309      -2.69583   0.00000  -0.00082  -0.00209  -0.00291  -2.69874
   D310       2.62190   0.00000  -0.00042  -0.00179  -0.00219   2.61971
   D311      -1.59497   0.00000  -0.00080  -0.00229  -0.00308  -1.59806
   D312       3.00401   0.00000  -0.00086  -0.00378  -0.00462   2.99939
   D313      -1.21287   0.00000  -0.00124  -0.00428  -0.00551  -1.21838
   D314      -0.44294  -0.00003  -0.00601  -0.01274  -0.01876  -0.46170
   D315       1.62337  -0.00003  -0.00639  -0.01324  -0.01965   1.60372
   D316      -0.29559  -0.00002  -0.00325  -0.00754  -0.01079  -0.30638
   D317       1.77072  -0.00002  -0.00364  -0.00804  -0.01168   1.75904
   D318       0.12860   0.00000  -0.00263  -0.00628  -0.00893   0.11967
   D319       2.19491   0.00000  -0.00301  -0.00678  -0.00981   2.18509
   D320       0.26091  -0.00001  -0.00273  -0.00571  -0.00844   0.25248
   D321       2.32722  -0.00001  -0.00311  -0.00621  -0.00932   2.31790
   D322      -0.55434   0.00000  -0.00092  -0.00284  -0.00374  -0.55808
   D323       1.51196   0.00000  -0.00130  -0.00334  -0.00462   1.50734
   D324      -0.58915   0.00000  -0.00114  -0.00270  -0.00383  -0.59299
   D325       1.47715   0.00000  -0.00152  -0.00321  -0.00472   1.47243
   D326       0.06010   0.00000   0.00801   0.01078   0.01872   0.07882
   D327       2.24423  -0.00002   0.00632   0.00894   0.01520   2.25943
   D328       0.36779   0.00000   0.00681   0.01046   0.01724   0.38502
   D329       2.55192  -0.00001   0.00512   0.00862   0.01371   2.56563
   D330       0.73121   0.00001   0.00732   0.01214   0.01946   0.75066
   D331       2.91534   0.00000   0.00563   0.01030   0.01593   2.93127
   D332       1.00972   0.00002   0.00720   0.01312   0.02033   1.03005
   D333      -3.08933   0.00001   0.00551   0.01128   0.01681  -3.07252
   D334       0.31079  -0.00001   0.00445   0.00836   0.01276   0.32355
   D335       2.49492  -0.00002   0.00277   0.00652   0.00923   2.50416
   D336       0.69699   0.00000   0.00669   0.01148   0.01821   0.71520
   D337       2.88112  -0.00001   0.00501   0.00964   0.01469   2.89581
   D338      -2.35490   0.00001   0.00728   0.00903   0.01630  -2.33860
   D339      -0.17077  -0.00001   0.00559   0.00719   0.01277  -0.15800
   D340      -1.97569   0.00001   0.00656   0.00768   0.01426  -1.96143
   D341       0.20845  -0.00001   0.00487   0.00584   0.01073   0.21918
   D342      -1.93226   0.00001   0.00674   0.00830   0.01507  -1.91719
   D343       0.25187   0.00000   0.00505   0.00646   0.01154   0.26341
   D344      -1.63720   0.00002   0.00756   0.01001   0.01762  -1.61958
   D345       0.54693   0.00001   0.00587   0.00817   0.01409   0.56103
   D346      -1.60066   0.00000   0.00555   0.00538   0.01098  -1.58969
   D347       0.58347  -0.00001   0.00386   0.00354   0.00745   0.59092
   D348      -1.29958   0.00000   0.00517   0.00474   0.00996  -1.28962
   D349       0.88455  -0.00001   0.00348   0.00290   0.00643   0.89098
   D350       1.81495   0.00002   0.00951   0.01569   0.02527   1.84021
   D351      -2.28410   0.00000   0.00782   0.01385   0.02174  -2.26236
   D352       2.24254   0.00003   0.01127   0.01869   0.02999   2.27254
   D353      -1.85651   0.00002   0.00958   0.01685   0.02647  -1.83004
   D354       2.47025   0.00005   0.01657   0.02908   0.04562   2.51588
   D355      -1.62880   0.00003   0.01488   0.02724   0.04210  -1.58670
   D356       3.10841   0.00004   0.01505   0.02443   0.03933  -3.13545
   D357      -0.99064   0.00003   0.01336   0.02259   0.03580  -0.95484
   D358       2.57425   0.00001   0.00894   0.01383   0.02275   2.59701
   D359      -1.52480   0.00000   0.00725   0.01199   0.01923  -1.50557
   D360       1.61402  -0.00001   0.00286   0.00109   0.00393   1.61795
   D361      -2.48503  -0.00002   0.00117  -0.00075   0.00040  -2.48463
   D362       1.78376   0.00002   0.00492   0.00458   0.00946   1.79321
   D363      -2.31530   0.00000   0.00323   0.00274   0.00593  -2.30936
   D364       2.73876  -0.00003   0.00128  -0.00117   0.00011   2.73887
   D365      -1.36030  -0.00004  -0.00041  -0.00301  -0.00341  -1.36371
   D366       2.71775  -0.00001   0.00407   0.00366   0.00774   2.72549
   D367      -1.38130  -0.00003   0.00238   0.00182   0.00422  -1.37709
   D368       0.04925   0.00000   0.00262   0.00732   0.00993   0.05918
   D369      -2.55313   0.00000   0.01460   0.04338   0.05797  -2.49516
   D370       0.44872   0.00000   0.00263   0.00717   0.00980   0.45851
   D371      -2.15367   0.00000   0.01461   0.04323   0.05784  -2.09583
   D372       0.65950   0.00000   0.00378   0.00858   0.01236   0.67186
   D373      -1.94289   0.00000   0.01576   0.04464   0.06040  -1.88249
   D374       0.93070   0.00002   0.00236   0.00972   0.01207   0.94277
   D375      -1.67169   0.00001   0.01433   0.04578   0.06011  -1.61158
   D376       0.69227   0.00000   0.00143   0.00566   0.00709   0.69936
   D377      -1.91012   0.00000   0.01340   0.04173   0.05513  -1.85499
   D378       1.03140   0.00001   0.00202   0.00604   0.00806   1.03946
   D379      -1.57098   0.00000   0.01400   0.04210   0.05610  -1.51488
   D380      -2.77041   0.00000   0.00467   0.00939   0.01405  -2.75635
   D381       0.91039   0.00000   0.01665   0.04545   0.06210   0.97249
   D382      -2.21289   0.00000   0.00406   0.00791   0.01193  -2.20096
   D383       1.46791   0.00000   0.01603   0.04397   0.05997   1.52788
   D384      -1.97338   0.00000   0.00194   0.00385   0.00577  -1.96761
   D385       1.70742   0.00000   0.01391   0.03991   0.05381   1.76123
   D386      -1.64176   0.00001   0.00134   0.00274   0.00408  -1.63768
   D387       2.03904   0.00001   0.01332   0.03881   0.05212   2.09116
   D388      -1.68871   0.00000   0.00292   0.00442   0.00730  -1.68141
   D389       1.99209  -0.00001   0.01489   0.04049   0.05534   2.04743
   D390      -1.10572   0.00000  -0.00154  -0.00378  -0.00528  -1.11100
   D391       2.57508   0.00000   0.01043   0.03228   0.04276   2.61784
   D392       1.78651   0.00000   0.00169   0.00505   0.00673   1.79324
   D393      -0.81588   0.00000   0.01366   0.04111   0.05477  -0.76111
   D394       2.08586   0.00000   0.00200   0.00520   0.00720   2.09307
   D395      -0.51652   0.00000   0.01397   0.04126   0.05524  -0.46128
   D396       2.03011   0.00000   0.00254   0.00638   0.00893   2.03904
   D397      -0.57228   0.00000   0.01451   0.04244   0.05697  -0.51531
   D398       2.22606   0.00000   0.00278   0.00544   0.00824   2.23431
   D399      -0.37633   0.00000   0.01476   0.04150   0.05629  -0.32004
   D400       2.48711   0.00000   0.00170   0.00439   0.00610   2.49320
   D401      -0.11528   0.00000   0.01368   0.04045   0.05414  -0.06114
   D402      -1.53142  -0.00002  -0.00369  -0.00696  -0.01066  -1.54208
   D403       2.14938  -0.00002   0.00829   0.02911   0.03738   2.18676
   D404      -2.63178   0.00002  -0.00336  -0.00708  -0.01044  -2.64222
   D405       1.04902   0.00002   0.00862   0.02899   0.03760   1.08662
   D406      -2.99402   0.00001  -0.00156  -0.00383  -0.00538  -2.99941
   D407       0.68677   0.00001   0.01042   0.03223   0.04266   0.72944
   D408       1.91352  -0.00001   0.00558   0.01190   0.01751   1.93103
   D409       2.40658  -0.00001   0.00606   0.01431   0.02039   2.42697
   D410       2.63713   0.00000   0.00579   0.01189   0.01768   2.65480
   D411       2.86916   0.00001   0.00374   0.01174   0.01546   2.88462
   D412       2.82814  -0.00001   0.00787   0.02011   0.02793   2.85607
   D413      -2.96004  -0.00001   0.00693   0.01629   0.02313  -2.93691
   D414      -0.75612   0.00000   0.00405   0.00763   0.01169  -0.74443
   D415      -0.37493   0.00001   0.00405   0.00756   0.01163  -0.36330
   D416      -0.06610   0.00000   0.00415   0.00805   0.01221  -0.05389
   D417       0.24279   0.00001   0.00407   0.00791   0.01199   0.25477
   D418      -0.23836   0.00001   0.00381   0.00669   0.01054  -0.22783
   D419       0.07462   0.00000   0.00366   0.00491   0.00861   0.08323
   D420      -2.56637  -0.00001   0.00382   0.00896   0.01277  -2.55360
   D421      -2.18329   0.00000   0.00387   0.00864   0.01251  -2.17077
   D422      -1.94179  -0.00001   0.00399   0.00868   0.01268  -1.92911
   D423      -1.62804   0.00000   0.00363   0.00708   0.01073  -1.61730
   D424      -1.96612  -0.00001   0.00366   0.00801   0.01168  -1.95444
   D425       1.33784  -0.00004  -0.00376  -0.00643  -0.01020   1.32764
   D426       2.48605   0.00002  -0.00170  -0.00405  -0.00576   2.48028
   D427       2.95563   0.00004  -0.00023  -0.00142  -0.00169   2.95394
   D428      -3.07485  -0.00002   0.00300  -0.00979  -0.00679  -3.08164
   D429       0.02909  -0.00002   0.00131  -0.00174  -0.00042   0.02866
   D430       0.03603   0.00007   0.00180  -0.00888  -0.00707   0.02896
   D431       3.13996   0.00007   0.00012  -0.00083  -0.00071   3.13926
   D432      -0.08510   0.00001  -0.00952   0.00607  -0.00345  -0.08856
   D433       2.01412   0.00002  -0.00893   0.00740  -0.00153   2.01259
   D434      -2.18151   0.00000  -0.00885   0.00632  -0.00254  -2.18405
   D435       3.09221   0.00001  -0.00793  -0.00155  -0.00948   3.08272
   D436      -1.09175   0.00002  -0.00735  -0.00021  -0.00756  -1.09932
   D437       0.99581   0.00000  -0.00727  -0.00130  -0.00857   0.98724
   D438      -2.37567   0.00001  -0.00084  -0.00859  -0.00942  -2.38509
   D439      -0.28542   0.00002  -0.00064  -0.00923  -0.00987  -0.29529
   D440       1.82167   0.00001  -0.00074  -0.00939  -0.01014   1.81153
   D441       0.73015   0.00001  -0.00244  -0.00095  -0.00338   0.72676
   D442       2.82040   0.00002  -0.00224  -0.00159  -0.00383   2.81657
   D443      -1.35570   0.00001  -0.00234  -0.00176  -0.00410  -1.35980
   D444      -0.00028   0.00001   0.00051   0.00078   0.00129   0.00102
   D445       3.11265   0.00002  -0.00038  -0.00184  -0.00223   3.11043
   D446      -3.12034   0.00000   0.00062   0.00066   0.00128  -3.11906
   D447      -0.00742   0.00001  -0.00027  -0.00196  -0.00224  -0.00965
   D448       2.42514   0.00000   0.00043  -0.00077  -0.00034   2.42479
   D449      -1.77390   0.00000   0.00044  -0.00086  -0.00042  -1.77433
   D450       0.33429   0.00000   0.00046  -0.00086  -0.00040   0.33390
   D451      -0.68917  -0.00001   0.00129   0.00172   0.00301  -0.68616
   D452       1.39498   0.00000   0.00130   0.00164   0.00293   1.39791
   D453      -2.78001  -0.00001   0.00132   0.00164   0.00296  -2.77705
   D454       2.06248  -0.00001  -0.00020   0.00432   0.00412   2.06660
   D455      -2.13635   0.00000  -0.00029   0.00410   0.00381  -2.13254
   D456      -0.04279  -0.00001  -0.00022   0.00433   0.00411  -0.03868
   D457      -1.10637   0.00000  -0.00106   0.00183   0.00077  -1.10560
   D458       0.97799   0.00001  -0.00115   0.00161   0.00046   0.97845
   D459       3.07154   0.00000  -0.00108   0.00184   0.00076   3.07231
   D460      -3.09190   0.00002  -0.00026  -0.00179  -0.00205  -3.09395
   D461      -0.03201   0.00002  -0.00031  -0.00243  -0.00274  -0.03475
   D462       0.06312   0.00001   0.00006  -0.00229  -0.00224   0.06089
   D463       3.12301   0.00002   0.00000  -0.00293  -0.00292   3.12009
   D464       1.94728  -0.00003   0.00227   0.00764   0.00992   1.95719
   D465      -2.25375  -0.00001   0.00226   0.00668   0.00895  -2.24481
   D466      -0.16026  -0.00002   0.00223   0.00732   0.00955  -0.15071
   D467      -1.11595  -0.00003   0.00232   0.00827   0.01059  -1.10537
   D468       0.96621  -0.00001   0.00231   0.00731   0.00962   0.97582
   D469       3.05970  -0.00003   0.00227   0.00795   0.01022   3.06992
   D470      -1.65416   0.00000  -0.00133  -0.00398  -0.00530  -1.65946
   D471       0.44977   0.00001  -0.00127  -0.00395  -0.00522   0.44455
   D472       2.54254   0.00001  -0.00122  -0.00328  -0.00450   2.53804
   D473       1.40941   0.00001  -0.00139  -0.00459  -0.00597   1.40344
   D474      -2.76985   0.00002  -0.00133  -0.00456  -0.00588  -2.77573
   D475      -0.67708   0.00001  -0.00128  -0.00389  -0.00516  -0.68224
   D476      -0.00475   0.00003  -0.00061  -0.00295  -0.00355  -0.00830
   D477      -3.09760   0.00003   0.00371   0.00264   0.00638  -3.09122
   D478       3.11131   0.00003  -0.00030  -0.00252  -0.00282   3.10849
   D479       0.01845   0.00002   0.00402   0.00307   0.00711   0.02556
   D480      -0.35574  -0.00002  -0.00128  -0.00598  -0.00727  -0.36301
   D481       1.75152   0.00000  -0.00118  -0.00499  -0.00620   1.74532
   D482      -2.44515   0.00001  -0.00125  -0.00560  -0.00686  -2.45201
   D483       2.73943  -0.00001  -0.00539  -0.01126  -0.01666   2.72277
   D484      -1.43649   0.00000  -0.00529  -0.01027  -0.01559  -1.45208
   D485       0.65002   0.00001  -0.00536  -0.01088  -0.01625   0.63377
   D486      -0.00666  -0.00004  -0.01083  -0.01915  -0.02998  -0.03665
   D487       2.08564  -0.00001  -0.01061  -0.01778  -0.02841   2.05723
   D488      -2.11178  -0.00001  -0.01081  -0.01818  -0.02901  -2.14079
   D489      -3.10182  -0.00004  -0.00673  -0.01382  -0.02054  -3.12236
   D490      -1.00952  -0.00001  -0.00651  -0.01245  -0.01897  -1.02849
   D491       1.07625  -0.00001  -0.00672  -0.01285  -0.01957   1.05668
         Item               Value     Threshold  Converged?
 Maximum Force            0.000269     0.000450     YES
 RMS     Force            0.000019     0.000300     YES
 Maximum Displacement     0.120055     0.001800     NO 
 RMS     Displacement     0.010236     0.001200     NO 
 Predicted change in Energy=-1.534722D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:09:10 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.832478   -0.597982    1.672164
      2          6           0       -2.072949    1.115355   -1.360599
      3          8           0       -2.623474    0.140397   -1.901021
      4          7           0       -0.782117    1.157269   -0.931926
      5          1           0       -2.620282    2.055812   -1.148951
      6          6           0       -0.239857    2.326618   -0.238346
      7          1           0       -0.990691    3.128804   -0.223500
      8          1           0        0.030585    2.057336    0.795253
      9          1           0        0.663219    2.681229   -0.761329
     10          6           0        0.127173    0.021598   -1.105066
     11          1           0        0.701629   -0.124180   -0.177005
     12          1           0       -0.456384   -0.883048   -1.320639
     13          1           0        0.830826    0.212998   -1.932030
     14          6           0       -1.993186   -4.010894    2.606452
     15          8           0       -2.105205   -3.857460    3.834824
     16          7           0       -2.943210   -3.704132    1.681866
     17          1           0       -1.066215   -4.405876    2.145209
     18          6           0       -4.239424   -3.139881    2.066473
     19          1           0       -4.511432   -2.349912    1.348700
     20          1           0       -5.021962   -3.916759    2.050557
     21          1           0       -4.166952   -2.712522    3.074903
     22          6           0       -2.706424   -3.884333    0.249352
     23          1           0       -3.422232   -4.611526   -0.167689
     24          1           0       -2.841124   -2.922141   -0.271568
     25          1           0       -1.681099   -4.244838    0.087168
     26          6           0        1.538558    0.383220    2.620161
     27          8           0        1.349533    1.399030    3.310682
     28          7           0        1.172097   -0.882477    2.960180
     29          1           0        2.028281    0.430156    1.627579
     30          6           0        1.489130   -2.028290    2.107845
     31          1           0        2.226887   -2.681746    2.603091
     32          1           0        0.576793   -2.617672    1.920036
     33          1           0        1.894660   -1.674284    1.150176
     34          6           0        0.531899   -1.168344    4.246538
     35          1           0        1.280974   -1.486008    4.991984
     36          1           0        0.020356   -0.266195    4.604720
     37          1           0       -0.197498   -1.980225    4.111796
     38          6           0       -4.617295    1.140061    2.915661
     39          8           0       -4.894476    1.757414    1.873599
     40          7           0       -3.524701    1.359734    3.696947
     41          1           0       -5.249813    0.311738    3.294808
     42          6           0       -2.530514    2.381927    3.357515
     43          1           0       -2.601938    2.620561    2.287897
     44          1           0       -2.694192    3.296971    3.950722
     45          1           0       -1.526728    1.989933    3.580829
     46          6           0       -3.245391    0.540171    4.877172
     47          1           0       -4.047920   -0.197074    5.015202
     48          1           0       -2.286316    0.011925    4.744139
     49          1           0       -3.174349    1.177675    5.773365
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.491561   0.000000
     3  O    3.733434   1.243253   0.000000
     4  N    3.311412   1.360796   2.315981   0.000000
     5  H    3.952461   1.108524   2.057774   2.057506   0.000000
     6  C    3.839241   2.467151   3.636713   1.463720   2.562999
     7  H    4.265100   2.553087   3.796134   2.105307   2.159477
     8  H    3.360162   3.155929   4.241295   2.110392   3.287405
     9  H    4.785772   3.209003   4.307792   2.107261   3.364933
    10  C    3.455014   2.470251   2.865958   1.465106   3.418840
    11  H    3.172634   3.261231   3.754802   2.100838   4.090494
    12  H    3.306322   2.570699   2.465879   2.102402   3.653605
    13  H    4.554239   3.093977   3.455202   2.119774   3.989903
    14  C    3.542131   6.482460   6.160178   6.379398   7.162487
    15  O    3.921184   7.191826   7.010805   7.044145   7.750491
    16  N    3.298786   5.765535   5.264951   5.927516   6.426100
    17  H    3.912926   6.617265   6.282168   6.363808   7.417548
    18  C    3.522800   5.877539   5.395602   6.277648   6.321059
    19  H    3.217247   5.029371   4.508515   5.604406   5.406025
    20  H    4.618471   6.756836   6.150466   7.253775   7.188638
    21  H    3.448004   6.221830   5.939806   6.518211   6.555162
    22  C    3.686228   5.290568   4.563928   5.524141   6.103113
    23  H    4.692645   6.003396   5.120862   6.390091   6.786707
    24  H    3.193302   4.251759   3.475863   4.617052   5.059504
    25  H    3.979283   5.566080   4.906247   5.570412   6.489087
    26  C    3.636666   5.424523   6.150004   4.313004   5.856596
    27  O    4.098536   5.797821   6.673140   4.754167   6.006591
    28  N    3.281371   5.761145   6.251712   4.809159   6.316696
    29  H    3.995562   5.120429   5.845836   3.870155   5.653408
    30  C    3.642620   5.882263   6.139033   4.954448   6.646343
    31  H    4.656946   6.972618   7.195659   6.023993   7.747085
    32  H    3.153597   5.631980   5.696414   4.922449   6.440607
    33  H    3.914391   5.461502   5.745990   4.417916   6.291606
    34  C    3.541609   6.590940   7.032898   5.826800   7.031552
    35  H    4.637174   7.640105   8.087238   6.807053   8.091686
    36  H    3.484676   6.471139   7.034190   5.772752   6.743102
    37  H    3.245854   6.561025   6.821757   5.968650   7.059387
    38  C    3.510311   4.976013   5.308020   5.432569   4.620361
    39  O    3.868372   4.339734   4.692543   5.014244   3.794313
    40  N    3.285729   5.267454   5.799675   5.384164   4.978476
    41  H    3.890853   5.693072   5.824401   6.208100   5.450066
    42  C    3.493926   4.906544   5.717106   4.791240   4.519143
    43  H    3.366038   3.982084   4.868133   3.977465   3.482988
    44  H    4.594022   5.775424   6.649200   5.663445   5.249058
    45  H    3.230137   5.047866   5.888490   4.648949   4.854999
    46  C    3.682906   6.373009   6.818395   6.339886   6.245166
    47  H    4.030486   6.802486   7.069447   6.918674   6.716430
    48  H    3.164646   6.207327   6.654948   5.982653   6.246400
    49  H    4.666201   7.218753   7.763737   7.119277   6.999755
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098852   0.000000
     8  H    1.101807   1.796917   0.000000
     9  H    1.102183   1.795829   1.792322   0.000000
    10  C    2.489786   3.417822   2.786534   2.734801   0.000000
    11  H    2.626133   3.667154   2.480846   2.865873   1.101158
    12  H    3.394142   4.193346   3.655133   3.777619   1.097905
    13  H    2.912442   3.839131   3.388221   2.736932   1.102556
    14  C    7.164573   7.745251   6.648271   7.948770   5.876418
    15  O    7.636299   8.155981   6.984655   8.458325   6.665818
    16  N    6.882243   7.357429   6.544008   7.729706   5.574523
    17  H    7.189623   7.898601   6.693165   7.852767   5.620587
    18  C    7.154812   7.422577   6.845439   8.118971   6.254661
    19  H    6.529548   6.699534   6.352957   7.519415   5.758618
    20  H    8.190688   8.429854   7.924256   9.152127   7.209869
    21  H    7.196710   7.422209   6.750383   8.193887   6.586887
    22  C    6.700576   7.235428   6.564500   7.448662   5.011988
    23  H    7.633502   8.113459   7.571191   8.380190   5.911243
    24  H    5.858085   6.327744   5.846367   6.627068   4.262758
    25  H    6.735516   7.412407   6.568763   7.361126   4.784742
    26  C    3.887238   4.692733   2.899471   4.181093   4.000012
    27  O    3.997772   4.578124   2.915540   4.323926   4.784383
    28  N    4.745785   5.559123   3.825239   5.177701   4.293652
    29  H    3.496097   4.452347   2.707631   3.554941   3.353875
    30  C    5.240156   6.179021   4.532393   5.576186   4.047192
    31  H    6.264368   7.218374   5.527288   6.521187   5.046513
    32  H    5.456330   6.330383   4.839337   5.939321   4.039697
    33  H    4.742508   5.769047   4.186375   4.913328   3.329586
    34  C    5.737992   6.384747   4.750546   6.317846   5.497220
    35  H    6.648714   7.325178   5.633055   7.130785   6.385778
    36  H    5.499608   5.988318   4.462168   6.155897   5.718033
    37  H    6.121636   6.747306   5.230046   6.798333   5.597174
    38  C    5.524277   5.192465   5.190406   6.616592   6.318797
    39  O    5.142935   4.638758   5.050645   6.219667   6.091180
    40  N    5.216473   4.992066   4.641825   6.257895   6.179492
    41  H    6.453106   6.201167   6.097335   7.551866   6.953780
    42  C    4.263846   3.968948   3.637276   5.220574   5.705181
    43  H    3.470984   3.026804   3.078212   4.467965   5.070982
    44  H    4.951125   4.511577   4.349493   5.818486   6.652005
    45  H    4.044192   4.007154   3.192053   4.912036   5.344843
    46  C    6.196221   6.148297   5.449392   7.187076   6.886965
    47  H    6.962049   6.917522   6.286854   7.990480   7.411944
    48  H    5.862675   6.005915   5.014522   6.792284   6.327576
    49  H    6.787634   6.673654   5.985566   7.725919   7.716824
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795765   0.000000
    13  H    1.791786   1.797783   0.000000
    14  C    5.487823   5.250450   6.812792   0.000000
    15  O    6.157148   6.176127   7.644967   1.242976   0.000000
    16  N    5.436570   4.812261   6.530505   1.360701   2.315382
    17  H    5.181782   4.979389   6.446444   1.108165   2.057926
    18  C    6.208191   5.556727   7.275800   2.468973   2.863019
    19  H    5.870064   5.071536   6.772844   3.268388   3.774049
    20  H    7.218391   6.435283   8.195793   3.080806   3.419737
    21  H    6.401367   6.036231   7.655445   2.574971   2.477734
    22  C    5.092676   4.066358   5.835982   2.465897   3.635629
    23  H    6.094472   4.901745   6.669141   3.177859   4.280571
    24  H    4.515376   3.308389   5.105825   3.191768   4.275378
    25  H    4.767284   3.844930   5.500840   2.549298   3.791419
    26  C    2.963451   4.594903   4.610022   5.637521   5.721519
    27  O    3.860558   5.469767   5.400163   6.398202   6.311944
    28  N    3.261638   4.580106   5.024964   4.464430   4.511789
    29  H    2.307340   4.073089   3.761898   6.070693   6.351480
    30  C    3.076740   4.105010   4.666619   4.038051   4.387205
    31  H    4.073879   5.082413   5.558404   4.424439   4.654728
    32  H    3.260470   3.818161   4.787029   3.002836   3.520881
    33  H    2.363801   3.501199   3.767436   4.764014   5.288905
    34  C    4.548276   5.661410   6.338152   4.140777   3.788822
    35  H    5.376677   6.575043   7.143615   4.773462   4.292903
    36  H    4.832100   5.976427   6.604211   4.697893   4.243576
    37  H    4.758901   5.548169   6.511184   3.100673   2.690738
    38  C    6.281229   6.273148   7.351298   5.789119   5.668393
    39  O    6.249941   6.072221   7.046072   6.498303   6.569113
    40  N    5.922108   6.294506   7.209092   5.690199   5.408613
    41  H    6.903851   6.760682   8.018962   5.455695   5.249990
    42  C    5.405567   6.070190   6.631904   6.459178   6.272054
    43  H    4.952060   5.468109   5.948783   6.666953   6.678659
    44  H    6.346180   7.089964   7.519536   7.463469   7.179570
    45  H    4.853490   5.781353   6.253573   6.097288   5.881425
    46  C    6.447095   6.943845   7.942785   5.237976   4.661081
    47  H    7.037225   7.315229   8.499080   4.956737   4.308812
    48  H    5.758818   6.397746   7.370769   4.564943   3.978919
    49  H    7.219759   7.871392   8.737571   6.192394   5.500327
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056755   0.000000
    18  C    1.465085   3.417338   0.000000
    19  H    2.098626   4.090346   1.101470   0.000000
    20  H    2.121876   3.986995   1.102796   1.791160   0.000000
    21  H    2.102710   3.653265   1.097643   1.797201   1.797363
    22  C    1.463091   2.560580   2.491229   2.611717   2.933787
    23  H    2.115108   3.307961   2.797324   2.932693   2.821782
    24  H    2.106617   3.345532   2.732963   2.396381   3.337302
    25  H    2.104364   2.153961   3.418129   3.632215   3.888946
    26  C    6.137840   5.472281   6.789984   6.759363   7.864775
    27  O    6.864615   6.394615   7.306587   7.228752   8.392942
    28  N    5.150881   4.253065   5.931201   6.087096   6.957058
    29  H    6.466143   5.764638   7.226473   7.111568   8.293402
    30  C    4.757682   3.490573   5.835553   6.056937   6.779670
    31  H    5.350124   3.745237   6.504692   6.862109   7.374033
    32  H    3.691549   2.438821   4.846657   5.127197   5.748976
    33  H    5.273325   4.149514   6.372955   6.444680   7.326598
    34  C    5.008407   4.177459   5.604031   5.935381   6.574306
    35  H    5.806951   4.705215   6.462871   6.897232   7.368008
    36  H    5.398630   4.936273   5.731186   5.956563   6.728696
    37  H    4.051586   3.241283   4.676037   5.136282   5.592346
    38  C    5.271718   6.630322   4.379704   3.827073   5.146221
    39  O    5.802817   7.260544   4.944673   4.158410   5.678363
    40  N    5.481005   6.457112   4.838988   4.499930   5.726584
    41  H    4.903999   6.409364   3.800443   3.378894   4.413645
    42  C    6.325996   7.048980   5.922628   5.509054   6.898471
    43  H    6.362820   7.193721   5.992752   5.406835   6.974912
    44  H    7.363773   8.077378   6.882674   6.477667   7.814540
    45  H    6.167240   6.571107   5.997248   5.720586   7.031884
    46  C    5.321222   6.056056   4.736129   4.733451   5.568679
    47  H    4.962960   5.902664   4.170347   4.277008   4.855300
    48  H    4.859846   5.268780   4.573664   4.696639   5.493059
    49  H    6.373839   6.984539   5.789363   5.814578   6.574666
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389694   0.000000
    23  H    3.830826   1.102322   0.000000
    24  H    3.605639   1.102414   1.789553   0.000000
    25  H    4.177801   1.098890   1.797486   1.795516   0.000000
    26  C    6.507169   6.469360   7.571594   6.202348   6.180709
    27  O    6.884190   7.330515   8.425888   7.004759   7.171403
    28  N    5.645146   5.603807   6.693074   5.541694   5.263117
    29  H    7.095921   6.552233   7.638694   6.209329   6.163436
    30  C    5.778810   4.949906   5.997720   5.021124   4.364239
    31  H    6.411297   5.596772   6.581323   5.831483   4.903619
    32  H    4.883219   3.895527   4.932165   4.071608   3.332439
    33  H    6.444041   5.183221   6.215586   5.099623   4.530319
    34  C    5.082954   5.817287   6.853908   5.904775   5.626948
    35  H    5.904188   6.644085   7.649264   6.838067   6.359422
    36  H    5.085116   6.284543   7.314999   6.246624   6.255624
    37  H    4.167490   4.983855   5.969644   5.204791   4.850482
    38  C    3.882082   6.000430   6.634454   5.460283   6.754166
    39  O    4.685376   6.265386   6.848194   5.542223   7.038761
    40  N    4.169256   6.328959   7.113498   5.877996   6.916690
    41  H    3.219797   5.775001   6.290267   5.383195   6.617179
    42  C    5.358284   6.996973   7.882297   6.434272   7.438461
    43  H    5.613415   6.817641   7.681528   6.109797   7.268071
    44  H    6.249007   8.079073   8.946266   7.518423   8.534184
    45  H    5.416625   6.855466   7.824550   6.379425   7.148557
    46  C    3.831118   6.425219   7.212620   6.217762   6.948918
    47  H    3.179058   6.173234   6.836756   6.068961   6.802335
    48  H    3.707526   5.963256   6.840515   5.837283   6.338272
    49  H    4.837416   7.507170   8.298941   7.311686   7.997892
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242747   0.000000
    28  N    1.360844   2.315083   0.000000
    29  H    1.107813   2.057243   2.057154   0.000000
    30  C    2.465824   3.634945   1.462830   2.562283   0.000000
    31  H    3.141354   4.233576   2.116002   3.267262   1.102977
    32  H    3.228083   4.320291   2.108836   3.388452   1.102272
    33  H    2.553623   3.796078   2.103609   2.162045   1.098592
    34  C    2.462887   2.852325   1.465022   3.413694   2.495958
    35  H    3.030826   3.339898   2.122341   3.943269   2.942050
    36  H    2.581696   2.492834   2.100195   3.657873   3.390672
    37  H    3.290097   3.801901   2.099300   4.115260   2.619703
    38  C    6.209239   5.985495   6.132675   6.806379   6.926719
    39  O    6.620399   6.417266   6.704699   7.053135   7.425420
    40  N    5.267792   4.889674   5.256448   5.998500   6.256393
    41  H    6.822187   6.688335   6.540570   7.467551   7.231733
    42  C    4.593024   4.002880   4.952124   5.252114   6.096657
    43  H    4.718029   4.260558   5.192935   5.164574   6.195246
    44  H    5.308155   4.512599   5.779027   5.993111   7.018175
    45  H    3.591711   2.948733   3.989937   4.345823   5.235570
    46  C    5.291966   4.929996   5.021254   6.195448   6.056555
    47  H    6.105874   5.880939   5.651679   6.984957   6.516518
    48  H    4.390763   4.147078   3.992879   5.338877   5.036518
    49  H    5.725849   5.155513   5.572237   6.694302   6.742573
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787031   0.000000
    33  H    1.798976   1.794280   0.000000
    34  C    2.804334   2.741383   3.420607   0.000000
    35  H    2.833964   3.348641   3.895067   1.103501   0.000000
    36  H    3.835385   3.612007   4.174878   1.097197   1.796405
    37  H    2.940401   2.410327   3.638944   1.099694   1.790212
    38  C    7.845172   6.487709   7.310475   5.797772   6.782104
    39  O    8.423308   7.005592   7.641484   6.605788   7.640700
    40  N    7.114130   5.983262   6.712733   4.811364   5.733226
    41  H    8.083344   6.664891   7.719276   6.043560   6.983085
    42  C    6.988763   6.059513   6.395887   4.772123   5.670965
    43  H    7.178534   6.138301   6.321353   5.292731   6.265221
    44  H    7.859910   7.057339   7.322159   5.516720   6.305796
    45  H    6.072082   5.330390   5.571397   3.828292   4.685799
    46  C    6.745222   5.772843   6.724169   4.193405   4.960501
    47  H    7.166943   6.068552   7.241191   4.744360   5.482609
    48  H    5.675293   4.804969   5.765452   3.095638   3.876956
    49  H    7.356569   6.582087   7.429832   4.644489   5.249349
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796756   0.000000
    38  C    5.132084   5.540897   0.000000
    39  O    5.975751   6.406331   1.242517   0.000000
    40  N    4.004389   4.732622   1.361038   2.314958   0.000000
    41  H    5.461187   5.607714   1.109031   2.058173   2.058160
    42  C    3.882655   5.004026   2.468222   2.860129   1.465776
    43  H    4.536238   5.502288   2.578300   2.484431   2.103948
    44  H    4.526880   5.840225   3.069518   3.394985   2.122978
    45  H    2.920948   4.220300   3.273581   3.782912   2.098221
    46  C    3.374843   4.028381   2.467694   3.636291   1.463772
    47  H    4.089517   4.338379   2.553466   3.795569   2.105993
    48  H    2.327558   2.954942   3.170092   4.253143   2.108743
    49  H    3.695488   4.647020   3.201559   4.301524   2.113623
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418216   0.000000
    43  H    3.654555   1.098240   0.000000
    44  H    3.984098   1.102720   1.797506   0.000000
    45  H    4.093837   1.100506   1.795951   1.791129   0.000000
    46  C    2.563935   2.492483   3.383253   2.960080   2.595403
    47  H    2.159443   3.420773   4.179488   3.895388   3.632744
    48  H    3.312516   2.756677   3.596904   3.404027   2.417184
    49  H    3.346736   2.775081   3.815502   2.836193   2.860355
                   46         47         48         49
    46  C    0.000000
    47  H    1.098469   0.000000
    48  H    1.102981   1.794549   0.000000
    49  H    1.102098   1.796628   1.790777   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2138633      0.1942420      0.1844547
 Leave Link  202 at Mon Nov 14 03:09:10 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.4487549230 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840431647 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.2647117583 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4027
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     219
 GePol: Fraction of low-weight points (<1% of avg)   =       5.44%
 GePol: Cavity surface area                          =    467.541 Ang**2
 GePol: Cavity volume                                =    457.861 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040201747 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.2606915835 Hartrees.
 Leave Link  301 at Mon Nov 14 03:09:11 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37496.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.43D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:09:12 2016, MaxMem=  2952790016 cpu:        15.2
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:09:12 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001325    0.005054   -0.001688
         Rot=    1.000000   -0.000248    0.000303   -0.000518 Ang=  -0.07 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50896588988    
 Leave Link  401 at Mon Nov 14 03:09:19 2016, MaxMem=  2952790016 cpu:        79.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48650187.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.07D-14 for   3428.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.64D-15 for   2535   1455.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.11D-14 for   1014.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.90D-11 for   1899   1891.
 E= -1013.45029273096    
 DIIS: error= 9.14D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45029273096     IErMin= 1 ErrMin= 9.14D-04
 ErrMax= 9.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.53D-04 BMatP= 6.53D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.14D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.32D-04 MaxDP=4.55D-03              OVMax= 7.29D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.32D-04    CP:  1.00D+00
 E= -1013.45131577179     Delta-E=       -0.001023040830 Rises=F Damp=F
 DIIS: error= 1.03D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45131577179     IErMin= 2 ErrMin= 1.03D-04
 ErrMax= 1.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-05 BMatP= 6.53D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.03D-03
 Coeff-Com:  0.279D-01 0.972D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.279D-01 0.972D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.95D-05 MaxDP=1.83D-03 DE=-1.02D-03 OVMax= 2.31D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.80D-05    CP:  1.00D+00  9.33D-01
 E= -1013.45127703220     Delta-E=        0.000038739594 Rises=F Damp=F
 DIIS: error= 2.80D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45131577179     IErMin= 2 ErrMin= 1.03D-04
 ErrMax= 2.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.34D-05 BMatP= 1.44D-05
 IDIUse=3 WtCom= 3.74D-01 WtEn= 6.26D-01
 Coeff-Com:  0.269D-02 0.687D+00 0.311D+00
 Coeff-En:   0.000D+00 0.765D+00 0.235D+00
 Coeff:      0.101D-02 0.736D+00 0.263D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.84D-05 MaxDP=1.26D-03 DE= 3.87D-05 OVMax= 1.53D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.75D-06    CP:  1.00D+00  9.55D-01  4.18D-01
 E= -1013.45132689809     Delta-E=       -0.000049865892 Rises=F Damp=F
 DIIS: error= 6.76D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45132689809     IErMin= 4 ErrMin= 6.76D-05
 ErrMax= 6.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-06 BMatP= 1.44D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.335D-04 0.319D+00 0.114D+00 0.567D+00
 Coeff:     -0.335D-04 0.319D+00 0.114D+00 0.567D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.61D-06 MaxDP=2.98D-04 DE=-4.99D-05 OVMax= 4.27D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.04D-06    CP:  1.00D+00  9.64D-01  3.74D-01  6.13D-01
 E= -1013.45132756689     Delta-E=       -0.000000668799 Rises=F Damp=F
 DIIS: error= 6.10D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45132756689     IErMin= 5 ErrMin= 6.10D-05
 ErrMax= 6.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.66D-07 BMatP= 1.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.209D-05 0.153D+00 0.461D-01 0.410D+00 0.390D+00
 Coeff:     -0.209D-05 0.153D+00 0.461D-01 0.410D+00 0.390D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.78D-06 MaxDP=1.36D-04 DE=-6.69D-07 OVMax= 2.04D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.34D-07    CP:  1.00D+00  9.65D-01  3.60D-01  6.46D-01  5.11D-01
 E= -1013.45132807176     Delta-E=       -0.000000504872 Rises=F Damp=F
 DIIS: error= 1.05D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45132807176     IErMin= 6 ErrMin= 1.05D-06
 ErrMax= 1.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-09 BMatP= 5.66D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.234D-04 0.359D-01 0.103D-01 0.106D+00 0.114D+00 0.733D+00
 Coeff:     -0.234D-04 0.359D-01 0.103D-01 0.106D+00 0.114D+00 0.733D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.80D-07 MaxDP=9.26D-06 DE=-5.05D-07 OVMax= 6.16D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.52D-07    CP:  1.00D+00  9.65D-01  3.60D-01  6.53D-01  5.13D-01
                    CP:  9.12D-01
 E= -1013.45132807267     Delta-E=       -0.000000000912 Rises=F Damp=F
 DIIS: error= 5.07D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45132807267     IErMin= 7 ErrMin= 5.07D-07
 ErrMax= 5.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-10 BMatP= 1.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.143D-04 0.105D-01 0.298D-02 0.332D-01 0.388D-01 0.394D+00
 Coeff-Com:  0.521D+00
 Coeff:     -0.143D-04 0.105D-01 0.298D-02 0.332D-01 0.388D-01 0.394D+00
 Coeff:      0.521D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.56D-08 MaxDP=2.97D-06 DE=-9.12D-10 OVMax= 4.49D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.56D-08    CP:  1.00D+00  9.65D-01  3.60D-01  6.53D-01  5.14D-01
                    CP:  9.21D-01  6.95D-01
 E= -1013.45132807292     Delta-E=       -0.000000000247 Rises=F Damp=F
 DIIS: error= 3.14D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45132807292     IErMin= 8 ErrMin= 3.14D-07
 ErrMax= 3.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-11 BMatP= 3.66D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.762D-05 0.393D-02 0.114D-02 0.130D-01 0.160D-01 0.195D+00
 Coeff-Com:  0.336D+00 0.435D+00
 Coeff:     -0.762D-05 0.393D-02 0.114D-02 0.130D-01 0.160D-01 0.195D+00
 Coeff:      0.336D+00 0.435D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.89D-08 MaxDP=2.15D-06 DE=-2.47D-10 OVMax= 3.43D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.23D-08    CP:  1.00D+00  9.65D-01  3.60D-01  6.53D-01  5.14D-01
                    CP:  9.22D-01  7.21D-01  6.09D-01
 E= -1013.45132807304     Delta-E=       -0.000000000120 Rises=F Damp=F
 DIIS: error= 1.84D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45132807304     IErMin= 9 ErrMin= 1.84D-07
 ErrMax= 1.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-11 BMatP= 6.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.263D-05 0.693D-03 0.233D-03 0.261D-02 0.372D-02 0.636D-01
 Coeff-Com:  0.150D+00 0.364D+00 0.415D+00
 Coeff:     -0.263D-05 0.693D-03 0.233D-03 0.261D-02 0.372D-02 0.636D-01
 Coeff:      0.150D+00 0.364D+00 0.415D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.27D-08 MaxDP=8.12D-07 DE=-1.20D-10 OVMax= 1.38D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.94D-09    CP:  1.00D+00  9.65D-01  3.60D-01  6.53D-01  5.14D-01
                    CP:  9.24D-01  7.13D-01  6.76D-01  5.53D-01
 E= -1013.45132807307     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 9.30D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45132807307     IErMin=10 ErrMin= 9.30D-09
 ErrMax= 9.30D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-13 BMatP= 2.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.699D-06 0.834D-04 0.409D-04 0.397D-03 0.720D-03 0.160D-01
 Coeff-Com:  0.436D-01 0.125D+00 0.165D+00 0.650D+00
 Coeff:     -0.699D-06 0.834D-04 0.409D-04 0.397D-03 0.720D-03 0.160D-01
 Coeff:      0.436D-01 0.125D+00 0.165D+00 0.650D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.56D-09 MaxDP=6.32D-08 DE=-2.64D-11 OVMax= 9.04D-08

 Error on total polarization charges =  0.04312
 SCF Done:  E(RB97D) =  -1013.45132807     A.U. after   10 cycles
            NFock= 10  Conv=0.16D-08     -V/T= 2.0213
 KE= 9.923507688157D+02 PE=-6.028048284211D+03 EE= 2.173985495739D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:11:14 2016, MaxMem=  2952790016 cpu:      1317.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37496.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 03:11:22 2016, MaxMem=  2952790016 cpu:        97.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:11:22 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:11:59 2016, MaxMem=  2952790016 cpu:       441.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19499514D+00-2.62746332D+00 3.29706189D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000036183    0.000459995   -0.000085750
      2        6           0.000126171    0.000196535    0.000260695
      3        8          -0.000007570   -0.000263640    0.000023100
      4        7          -0.000007987    0.000134625   -0.000042871
      5        1           0.000013986    0.000093775   -0.000117721
      6        6           0.000006231   -0.000228265   -0.000321982
      7        1          -0.000000198   -0.000022783    0.000094062
      8        1           0.000064348    0.000011227    0.000034631
      9        1           0.000052025    0.000223041    0.000175875
     10        6          -0.000112664    0.000039532   -0.000003934
     11        1          -0.000074417   -0.000017411    0.000000457
     12        1           0.000028974    0.000028614   -0.000051875
     13        1           0.000047421    0.000045762    0.000032492
     14        6          -0.000037049    0.000011992    0.000014214
     15        8           0.000015428   -0.000083744    0.000025867
     16        7          -0.000019421    0.000075096   -0.000069445
     17        1           0.000034925    0.000010689   -0.000016970
     18        6          -0.000002873   -0.000046149   -0.000019491
     19        1          -0.000011099    0.000091761   -0.000085912
     20        1          -0.000000262   -0.000012785   -0.000060288
     21        1          -0.000042407   -0.000081348   -0.000043971
     22        6           0.000032579    0.000001304   -0.000013394
     23        1           0.000026847   -0.000031419   -0.000037399
     24        1           0.000093665    0.000072335   -0.000083038
     25        1           0.000019574    0.000041505   -0.000045212
     26        6           0.000045125    0.000165791    0.000010479
     27        8           0.000021221    0.000004988    0.000123046
     28        7           0.000030073    0.000039763    0.000061747
     29        1          -0.000044967   -0.000028934    0.000012349
     30        6          -0.000144259   -0.000267629    0.000000417
     31        1           0.000108542    0.000096464   -0.000020422
     32        1           0.000074520    0.000029696    0.000042864
     33        1          -0.000068129    0.000020632    0.000007154
     34        6           0.000001833   -0.000104990   -0.000010808
     35        1          -0.000024998    0.000002299   -0.000002561
     36        1          -0.000038336    0.000014413   -0.000012452
     37        1           0.000000822   -0.000039626    0.000003814
     38        6          -0.000172116   -0.000233755    0.000462506
     39        8           0.000236908   -0.000217353   -0.000289510
     40        7          -0.000180863   -0.000057498    0.000126194
     41        1          -0.000022603    0.000051402   -0.000056656
     42        6           0.000077535   -0.000269870    0.000169560
     43        1           0.000020476    0.000075906    0.000151254
     44        1           0.000006570    0.000014240   -0.000053640
     45        1          -0.000069768    0.000010532   -0.000064845
     46        6          -0.000003800    0.000111341   -0.000300372
     47        1          -0.000104307   -0.000028337   -0.000010114
     48        1          -0.000011965   -0.000117650    0.000112432
     49        1          -0.000019925   -0.000022068   -0.000024578
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000462506 RMS     0.000112364
 Leave Link  716 at Mon Nov 14 03:11:59 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000303703 RMS     0.000031360
 Search for a local minimum.
 Step number  67 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .31360D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   46   49   51   53   55
                                                     56   57   59   60   61
                                                     62   63   64   65   66
                                                     67
 DE= -1.95D-05 DEPred=-1.53D-05 R= 1.27D+00
 TightC=F SS=  1.41D+00  RLast= 3.33D-01 DXNew= 1.9838D-01 9.9885D-01
 Trust test= 1.27D+00 RLast= 3.33D-01 DXMaxT set to 1.98D-01
 ITU=  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0
 ITU= -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  0
     Eigenvalues ---    0.00001   0.00004   0.00036   0.00074   0.00130
     Eigenvalues ---    0.00191   0.00196   0.00278   0.00364   0.00399
     Eigenvalues ---    0.00549   0.00575   0.00616   0.00697   0.00730
     Eigenvalues ---    0.00792   0.00815   0.00920   0.01004   0.01025
     Eigenvalues ---    0.01130   0.01165   0.01169   0.01276   0.01295
     Eigenvalues ---    0.01322   0.01413   0.01522   0.01572   0.01649
     Eigenvalues ---    0.01697   0.01707   0.01768   0.01827   0.01882
     Eigenvalues ---    0.01908   0.02011   0.02102   0.02140   0.02272
     Eigenvalues ---    0.02349   0.02364   0.02614   0.03011   0.03057
     Eigenvalues ---    0.03189   0.03888   0.04009   0.04297   0.04518
     Eigenvalues ---    0.04751   0.05274   0.05480   0.05606   0.05937
     Eigenvalues ---    0.06207   0.06310   0.06400   0.06615   0.06780
     Eigenvalues ---    0.06888   0.07213   0.07672   0.07944   0.08008
     Eigenvalues ---    0.08088   0.08157   0.08234   0.08383   0.08516
     Eigenvalues ---    0.08728   0.08914   0.08958   0.09270   0.09407
     Eigenvalues ---    0.09767   0.09826   0.09911   0.10070   0.10185
     Eigenvalues ---    0.10429   0.10465   0.10526   0.10834   0.11069
     Eigenvalues ---    0.11230   0.11283   0.11609   0.11941   0.13166
     Eigenvalues ---    0.13532   0.14012   0.14425   0.14850   0.15168
     Eigenvalues ---    0.15601   0.15798   0.20551   0.22248   0.22385
     Eigenvalues ---    0.23505   0.23624   0.24716   0.25323   0.25641
     Eigenvalues ---    0.26925   0.27443   0.28102   0.29232   0.29618
     Eigenvalues ---    0.29904   0.32109   0.32792   0.32816   0.32827
     Eigenvalues ---    0.32866   0.33294   0.33346   0.33373   0.33382
     Eigenvalues ---    0.33397   0.33424   0.33472   0.33515   0.33696
     Eigenvalues ---    0.33791   0.33814   0.33835   0.33920   0.33960
     Eigenvalues ---    0.34020   0.34110   0.35155   0.37354   0.38825
     Eigenvalues ---    0.40713   0.41383   0.85907   0.86049   0.86778
     Eigenvalues ---    0.88977
 Eigenvalue     1 is   7.05D-06 Eigenvector:
                         D381      D375      D383      D373      D389
   1                   -0.20075  -0.19836  -0.19692  -0.19229  -0.18941
                         D369      D371      D397      D393      D395
   1                   -0.18496  -0.18438  -0.17912  -0.17786  -0.17777
 Eigenvalue     2 is   3.59D-05 Eigenvector:
                          R4        D82       D80       D74       D72
   1                    0.15981   0.15756   0.15689   0.15411   0.15360
                         D432       D76      D434      D433       D78
   1                    0.14910   0.14843   0.14675   0.14424   0.14318
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    67   66   65   64   63
 RFO step:  Lambda=-3.37358531D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.62D-05 SmlDif=  1.00D-05
 RMS Error=  0.2803036836D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.72081    1.24391   -1.57509    0.22053    0.38984
 Iteration  1 RMS(Cart)=  0.00841450 RMS(Int)=  0.00074442
 Iteration  2 RMS(Cart)=  0.00063454 RMS(Int)=  0.00004114
 Iteration  3 RMS(Cart)=  0.00000686 RMS(Int)=  0.00004063
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00004063
 ITry= 1 IFail=0 DXMaxC= 1.21D-01 DCOld= 1.00D+10 DXMaxT= 1.98D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59809  -0.00011   0.00068  -0.00225  -0.00156   6.59653
    R2        6.25766   0.00002  -0.00057   0.00234   0.00176   6.25942
    R3        7.25511   0.00006   0.00770  -0.00885  -0.00117   7.25395
    R4        6.34979   0.00006   0.01241  -0.01202   0.00041   6.35019
    R5        6.52903  -0.00002  -0.00243   0.00723   0.00479   6.53382
    R6        5.99541  -0.00004   0.00281   0.01023   0.01303   6.00844
    R7        6.69366   0.00004  -0.00087   0.00038  -0.00049   6.69317
    R8        6.23380  -0.00001  -0.00007   0.00187   0.00181   6.23561
    R9        6.65713   0.00006   0.00165   0.00088   0.00253   6.65966
   R10        6.07972   0.00000   0.00321   0.00346   0.00667   6.08639
   R11        6.96596  -0.00005  -0.00296   0.00319   0.00025   6.96622
   R12        6.03447  -0.00003  -0.00220   0.00161  -0.00059   6.03387
   R13        6.87230   0.00002  -0.00034   0.00359   0.00325   6.87555
   R14        6.20089   0.00001  -0.00371   0.00227  -0.00144   6.19946
   R15        6.88355  -0.00002  -0.00643   0.00523  -0.00119   6.88237
   R16        5.95944   0.00002  -0.00037  -0.00016  -0.00054   5.95890
   R17        6.69267   0.00006  -0.00385   0.00059  -0.00324   6.68943
   R18        6.63353  -0.00014   0.00228  -0.03955  -0.03726   6.59626
   R19        6.20913  -0.00002   0.00376  -0.00355   0.00027   6.20939
   R20        6.60256  -0.00009   0.00656  -0.01644  -0.00988   6.59268
   R21        6.10407  -0.00001  -0.02019   0.03663   0.01628   6.12035
   R22        6.95968   0.00000  -0.00396   0.01896   0.01505   6.97474
   R23        5.98031   0.00010   0.00011   0.00938   0.00950   5.98982
   R24        2.34941   0.00023   0.00000  -0.00015  -0.00015   2.34926
   R25        2.57153  -0.00007  -0.00038   0.00000  -0.00037   2.57116
   R26        2.09481   0.00003   0.00009   0.00005   0.00014   2.09494
   R27        2.76603  -0.00006  -0.00011  -0.00063  -0.00075   2.76528
   R28        2.76865  -0.00002  -0.00017  -0.00035  -0.00050   2.76815
   R29        2.07653  -0.00003   0.00002   0.00012   0.00014   2.07667
   R30        2.08211   0.00006   0.00055   0.00100   0.00159   2.08371
   R31        2.08282   0.00004   0.00006  -0.00005   0.00001   2.08283
   R32        2.08089   0.00000   0.00001  -0.00030  -0.00028   2.08061
   R33        2.07474   0.00001  -0.00001  -0.00005  -0.00006   2.07468
   R34        2.08353   0.00001   0.00001  -0.00002  -0.00001   2.08352
   R35        2.34888   0.00005  -0.00002  -0.00001  -0.00004   2.34885
   R36        2.57135   0.00007   0.00020  -0.00026  -0.00007   2.57129
   R37        2.09413   0.00001  -0.00001   0.00008   0.00007   2.09420
   R38        2.76861   0.00001   0.00003  -0.00021  -0.00020   2.76841
   R39        2.76484   0.00002   0.00020  -0.00016   0.00005   2.76489
   R40        2.08148   0.00006   0.00019   0.00015   0.00035   2.08182
   R41        2.08398   0.00001  -0.00002   0.00005   0.00004   2.08402
   R42        2.07424  -0.00003   0.00004  -0.00006  -0.00001   2.07423
   R43        2.08309   0.00002  -0.00002  -0.00006  -0.00007   2.08302
   R44        2.08326   0.00001   0.00005   0.00014   0.00011   2.08337
   R45        2.07660  -0.00001   0.00005  -0.00007  -0.00002   2.07658
   R46        2.34845   0.00005   0.00002   0.00003   0.00005   2.34850
   R47        2.57162   0.00006   0.00028   0.00010   0.00036   2.57198
   R48        2.09346   0.00000   0.00001  -0.00003  -0.00002   2.09344
   R49        2.76435   0.00006   0.00024   0.00014   0.00035   2.76470
   R50        2.76849  -0.00001   0.00025   0.00019   0.00044   2.76893
   R51        2.08432   0.00001   0.00001  -0.00009  -0.00008   2.08425
   R52        2.08299  -0.00007  -0.00028   0.00016  -0.00011   2.08288
   R53        2.07604  -0.00002   0.00000  -0.00002  -0.00002   2.07601
   R54        2.08531  -0.00002  -0.00005   0.00002  -0.00003   2.08529
   R55        2.07340   0.00003   0.00013  -0.00012   0.00001   2.07341
   R56        2.07812   0.00001  -0.00007  -0.00009  -0.00016   2.07796
   R57        2.34802   0.00008   0.00020  -0.00007   0.00013   2.34815
   R58        2.57199  -0.00006   0.00025  -0.00036  -0.00005   2.57194
   R59        2.09576  -0.00007   0.00010  -0.00026  -0.00016   2.09560
   R60        2.76992   0.00003  -0.00064  -0.00030  -0.00101   2.76891
   R61        2.76613  -0.00020  -0.00026   0.00077   0.00061   2.76674
   R62        2.07537  -0.00011  -0.00018   0.00070   0.00052   2.07590
   R63        2.08384  -0.00002   0.00011  -0.00007   0.00003   2.08387
   R64        2.07966  -0.00009   0.00064   0.00028   0.00087   2.08052
   R65        2.07581   0.00005   0.00006  -0.00015  -0.00009   2.07572
   R66        2.08433   0.00008  -0.00028  -0.00001  -0.00024   2.08409
   R67        2.08266  -0.00001   0.00004  -0.00051  -0.00047   2.08219
    A1        0.68016  -0.00001  -0.00048   0.00033  -0.00014   0.68002
    A2        0.95664   0.00000  -0.00043   0.00086   0.00042   0.95706
    A3        0.72705  -0.00002   0.00009  -0.00038  -0.00029   0.72677
    A4        1.01863  -0.00001  -0.00010  -0.00073  -0.00083   1.01780
    A5        2.34450   0.00001   0.00050   0.00287   0.00336   2.34786
    A6        2.02797   0.00000  -0.00064   0.00522   0.00457   2.03254
    A7        1.98694  -0.00001  -0.00220   0.00789   0.00567   1.99262
    A8        1.69364  -0.00001  -0.00260   0.00815   0.00554   1.69918
    A9        1.65679  -0.00001  -0.00020   0.00412   0.00391   1.66069
   A10        1.37626  -0.00001  -0.00048   0.00471   0.00423   1.38048
   A11        1.72933  -0.00001   0.00132  -0.00340  -0.00209   1.72724
   A12        2.03370  -0.00001   0.00145  -0.00391  -0.00248   2.03123
   A13        1.93839  -0.00001   0.00117  -0.00352  -0.00238   1.93601
   A14        2.02101   0.00000   0.00271  -0.00502  -0.00233   2.01868
   A15        2.42856  -0.00001   0.00156  -0.00359  -0.00206   2.42651
   A16        1.58089   0.00003  -0.00848   0.01572   0.00728   1.58817
   A17        1.77973   0.00002  -0.00665   0.00939   0.00271   1.78244
   A18        1.55750   0.00002  -0.00306   0.00033  -0.00276   1.55474
   A19        1.69776   0.00000  -0.00374   0.00039  -0.00335   1.69441
   A20        2.18685  -0.00002  -0.00623   0.00747   0.00122   2.18807
   A21        2.40196   0.00001  -0.00563   0.00507  -0.00057   2.40139
   A22        0.64355  -0.00001  -0.00085   0.00029  -0.00056   0.64299
   A23        0.65857  -0.00001  -0.00028  -0.00081  -0.00109   0.65748
   A24        2.39284   0.00001   0.00121   0.00123   0.00244   2.39528
   A25        2.22462   0.00000  -0.00052   0.00538   0.00486   2.22947
   A26        2.32844  -0.00001  -0.00227   0.00845   0.00616   2.33460
   A27        2.06428  -0.00001  -0.00288   0.00879   0.00590   2.07018
   A28        1.81752  -0.00001  -0.00069   0.00549   0.00478   1.82230
   A29        1.57810  -0.00002  -0.00108   0.00649   0.00542   1.58352
   A30        1.33662  -0.00001   0.00156  -0.00338  -0.00183   1.33479
   A31        1.63504   0.00000   0.00149  -0.00402  -0.00255   1.63249
   A32        1.58375   0.00000   0.00098  -0.00396  -0.00301   1.58074
   A33        1.73043   0.00000   0.00240  -0.00567  -0.00328   1.72715
   A34        2.03223   0.00000   0.00177  -0.00369  -0.00194   2.03029
   A35        1.84187   0.00003  -0.00904   0.01961   0.01059   1.85246
   A36        1.90937   0.00001  -0.00673   0.01185   0.00509   1.91447
   A37        1.56142   0.00001  -0.00391   0.00520   0.00126   1.56268
   A38        1.58078   0.00000  -0.00431   0.00436   0.00005   1.58082
   A39        2.26821  -0.00002  -0.00461   0.00535   0.00074   2.26895
   A40        2.35562   0.00001  -0.00330   0.00225  -0.00103   2.35459
   A41        0.68898  -0.00001  -0.00075   0.00064  -0.00011   0.68887
   A42        0.74492  -0.00001  -0.00143   0.00029  -0.00114   0.74378
   A43        2.65526   0.00000   0.00091   0.00036   0.00126   2.65652
   A44        2.60298  -0.00001  -0.00121   0.00611   0.00489   2.60787
   A45        2.66549  -0.00002  -0.00260   0.00791   0.00529   2.67078
   A46        2.36058  -0.00002  -0.00267   0.00751   0.00483   2.36541
   A47        2.19618  -0.00002  -0.00153   0.00652   0.00498   2.20115
   A48        1.96336  -0.00003  -0.00178   0.00723   0.00545   1.96881
   A49        1.09242  -0.00001   0.00098  -0.00360  -0.00264   1.08978
   A50        1.45206   0.00000   0.00077  -0.00392  -0.00317   1.44889
   A51        1.55116   0.00000   0.00005  -0.00364  -0.00362   1.54754
   A52        1.78243  -0.00001   0.00119  -0.00497  -0.00380   1.77863
   A53        1.77978   0.00000   0.00133  -0.00353  -0.00222   1.77755
   A54        1.69935   0.00004  -0.00794   0.02087   0.01294   1.71229
   A55        1.63727   0.00003  -0.00540   0.01152   0.00610   1.64337
   A56        1.23790   0.00002  -0.00334   0.00654   0.00318   1.24108
   A57        1.20731   0.00002  -0.00361   0.00443   0.00083   1.20815
   A58        1.93562   0.00000  -0.00265   0.00294   0.00029   1.93591
   A59        1.97766   0.00002  -0.00204   0.00088  -0.00116   1.97650
   A60        0.84200  -0.00001  -0.00146  -0.00077  -0.00223   0.83978
   A61        0.77705  -0.00001  -0.00257  -0.00147  -0.00404   0.77301
   A62        2.59712  -0.00001   0.00036  -0.00390  -0.00354   2.59358
   A63        2.76944  -0.00001  -0.00163   0.00289   0.00124   2.77068
   A64        2.61748  -0.00001  -0.00185   0.00766   0.00582   2.62330
   A65        2.39681  -0.00002  -0.00242   0.00551   0.00307   2.39988
   A66        2.20363  -0.00003  -0.00247   0.00693   0.00447   2.20810
   A67        0.85112  -0.00002   0.00005  -0.00506  -0.00502   0.84610
   A68        1.22735  -0.00001  -0.00016  -0.00544  -0.00561   1.22174
   A69        1.40596  -0.00001  -0.00111  -0.00562  -0.00676   1.39921
   A70        1.67400  -0.00002  -0.00022  -0.00676  -0.00700   1.66700
   A71        1.51758   0.00000   0.00084  -0.00450  -0.00367   1.51391
   A72        1.71231   0.00004  -0.00593   0.02284   0.01689   1.72921
   A73        1.54633   0.00003  -0.00362   0.01325   0.00962   1.55595
   A74        1.11818   0.00002  -0.00258   0.01090   0.00833   1.12651
   A75        1.01055   0.00001  -0.00296   0.00771   0.00481   1.01536
   A76        1.76767   0.00001  -0.00063   0.00280   0.00215   1.76983
   A77        1.75234   0.00002  -0.00060   0.00084   0.00023   1.75257
   A78        1.99384   0.00001   0.00136   0.00086   0.00221   1.99605
   A79        1.94142   0.00000  -0.00025   0.00493   0.00468   1.94610
   A80        2.22295  -0.00001  -0.00167   0.00770   0.00602   2.22897
   A81        2.08188  -0.00002  -0.00288   0.00902   0.00615   2.08803
   A82        1.55488  -0.00001  -0.00098   0.00625   0.00526   1.56015
   A83        1.39021  -0.00003  -0.00146   0.00761   0.00616   1.39637
   A84        1.19759   0.00001   0.00209  -0.00215  -0.00008   1.19750
   A85        1.38139   0.00001   0.00189  -0.00302  -0.00115   1.38024
   A86        1.21253   0.00000   0.00114  -0.00306  -0.00195   1.21059
   A87        1.31265   0.00001   0.00244  -0.00501  -0.00259   1.31006
   A88        1.80752   0.00000   0.00219  -0.00304  -0.00087   1.80665
   A89        2.27303   0.00002  -0.00888   0.01850   0.00962   2.28265
   A90        2.31940   0.00002  -0.00639   0.01198   0.00556   2.32496
   A91        1.92635   0.00001  -0.00412   0.00747   0.00330   1.92965
   A92        1.85211   0.00001  -0.00437   0.00724   0.00285   1.85496
   A93        2.60941   0.00000  -0.00234   0.00221  -0.00008   2.60932
   A94        2.54467   0.00002   0.00027  -0.00157  -0.00126   2.54341
   A95        1.91120   0.00001   0.00242  -0.00016   0.00225   1.91345
   A96        1.99465   0.00000   0.00103   0.00378   0.00481   1.99946
   A97        2.37277  -0.00001   0.00001   0.00577   0.00579   2.37856
   A98        2.32928  -0.00001  -0.00179   0.00814   0.00635   2.33563
   A99        1.66849  -0.00001  -0.00013   0.00609   0.00595   1.67444
   A100       1.57701  -0.00003  -0.00067   0.00747   0.00681   1.58382
   A101       0.89085   0.00001   0.00165  -0.00148   0.00015   0.89100
   A102       1.05913   0.00001   0.00172  -0.00269  -0.00099   1.05814
   A103       0.92730   0.00000   0.00125  -0.00305  -0.00183   0.92547
   A104       1.08291   0.00001   0.00267  -0.00500  -0.00235   1.08056
   A105       1.48517   0.00000   0.00201  -0.00269  -0.00069   1.48448
   A106       2.44368   0.00003  -0.00941   0.02104   0.01161   2.45530
   A107       2.32069   0.00002  -0.00590   0.01171   0.00581   2.32650
   A108       1.88952   0.00001  -0.00510   0.01037   0.00524   1.89476
   A109       1.72050   0.00001  -0.00500   0.00936   0.00435   1.72485
   A110       2.44572   0.00001  -0.00015  -0.00125  -0.00136   2.44436
   A111       2.28042   0.00002   0.00128  -0.00280  -0.00149   2.27893
   A112       0.71399   0.00000  -0.00002  -0.00012  -0.00014   0.71385
   A113       1.00518   0.00001  -0.00009  -0.00023  -0.00033   1.00485
   A114       0.69517   0.00001   0.00027  -0.00030  -0.00002   0.69515
   A115       0.98237   0.00002   0.00040  -0.00045  -0.00006   0.98231
   A116       1.80623   0.00001   0.00140   0.00025   0.00166   1.80789
   A117       1.42475   0.00000   0.00132   0.00037   0.00171   1.42646
   A118       1.19339   0.00000   0.00160   0.00141   0.00304   1.19643
   A119       0.92336   0.00001   0.00053   0.00300   0.00355   0.92690
   A120       1.24864  -0.00001   0.00070  -0.00107  -0.00035   1.24829
   A121       1.92584  -0.00004   0.00678  -0.02088  -0.01408   1.91176
   A122       1.96945  -0.00003   0.00513  -0.01285  -0.00769   1.96176
   A123       2.32605  -0.00002   0.00270  -0.00594  -0.00323   2.32282
   A124       2.24003  -0.00001   0.00325  -0.00357  -0.00034   2.23970
   A125       1.62164   0.00001   0.00352  -0.00687  -0.00330   1.61833
   A126       1.49387  -0.00002   0.00371  -0.00593  -0.00219   1.49168
   A127       0.65537   0.00001  -0.00022  -0.00029  -0.00051   0.65486
   A128       0.66017   0.00001   0.00017  -0.00021  -0.00005   0.66013
   A129       2.17172   0.00002   0.00131   0.00158   0.00289   2.17460
   A130       1.79827   0.00001   0.00120   0.00124   0.00246   1.80073
   A131       1.50771   0.00000   0.00114   0.00296   0.00413   1.51184
   A132       1.21745   0.00001   0.00039   0.00389   0.00431   1.22176
   A133       1.64186   0.00000   0.00082  -0.00133  -0.00049   1.64138
   A134       1.77016  -0.00003   0.00627  -0.02259  -0.01627   1.75389
   A135       1.96688  -0.00002   0.00509  -0.01579  -0.01066   1.95621
   A136       2.39556  -0.00001   0.00421  -0.01379  -0.00957   2.38599
   A137       2.47273   0.00000   0.00482  -0.01065  -0.00588   2.46685
   A138       1.73073   0.00001   0.00298  -0.00780  -0.00477   1.72596
   A139       1.70150  -0.00001   0.00344  -0.00724  -0.00377   1.69772
   A140       0.70430   0.00001   0.00014  -0.00028  -0.00014   0.70416
   A141       0.83275   0.00001  -0.00020   0.00007  -0.00014   0.83260
   A142       2.49617   0.00002   0.00157  -0.00181  -0.00026   2.49591
   A143       2.11662   0.00001   0.00157  -0.00110   0.00048   2.11709
   A144       1.90321   0.00000   0.00141   0.00181   0.00325   1.90646
   A145       1.62189   0.00001   0.00040   0.00341   0.00382   1.62571
   A146       1.83234   0.00001   0.00125  -0.00368  -0.00242   1.82992
   A147       1.34444  -0.00003   0.00624  -0.02248  -0.01618   1.32826
   A148       1.57985  -0.00002   0.00485  -0.01607  -0.01118   1.56867
   A149       2.00966   0.00000   0.00454  -0.01583  -0.01125   1.99840
   A150       2.18539   0.00000   0.00540  -0.01530  -0.00990   2.17549
   A151       1.43383   0.00001   0.00226  -0.00760  -0.00531   1.42852
   A152       1.50317   0.00000   0.00264  -0.00760  -0.00493   1.49824
   A153       0.76455   0.00001  -0.00015  -0.00055  -0.00071   0.76384
   A154       0.76621   0.00002  -0.00063  -0.00011  -0.00076   0.76545
   A155       2.80837   0.00003   0.00143  -0.00099   0.00040   2.80877
   A156       2.42599   0.00002   0.00140  -0.00056   0.00084   2.42683
   A157       2.16218   0.00001   0.00082   0.00287   0.00372   2.16590
   A158       1.87057   0.00002   0.00012   0.00371   0.00384   1.87442
   A159       2.14276   0.00002   0.00133  -0.00391  -0.00256   2.14021
   A160       1.20750  -0.00003   0.00535  -0.02094  -0.01553   1.19197
   A161       1.52834  -0.00002   0.00416  -0.01507  -0.01088   1.51746
   A162       1.92471   0.00000   0.00468  -0.01699  -0.01229   1.91242
   A163       2.18279   0.00000   0.00521  -0.01661  -0.01139   2.17140
   A164       1.50708   0.00000   0.00146  -0.00637  -0.00489   1.50219
   A165       1.65402   0.00000   0.00197  -0.00685  -0.00486   1.64916
   A166       2.16630   0.00001   0.00056   0.00538   0.00595   2.17224
   A167       1.86638   0.00000   0.00045   0.00401   0.00449   1.87087
   A168       1.48298  -0.00001   0.00011   0.00514   0.00529   1.48826
   A169       1.20306   0.00001   0.00006   0.00454   0.00463   1.20769
   A170       1.87053   0.00000   0.00040   0.00076   0.00118   1.87172
   A171       1.97149  -0.00001   0.00504  -0.02124  -0.01614   1.95535
   A172       2.27436  -0.00001   0.00464  -0.01625  -0.01159   2.26278
   A173       2.68869   0.00001   0.00459  -0.01747  -0.01288   2.67581
   A174       2.11818   0.00001   0.00291  -0.00805  -0.00511   2.11307
   A175       2.10889   0.00000   0.00368  -0.00748  -0.00378   2.10510
   A176       2.27554   0.00000   0.00057   0.00670   0.00728   2.28282
   A177       2.05448   0.00000   0.00054   0.00479   0.00534   2.05982
   A178       1.64591  -0.00001   0.00009   0.00546   0.00559   1.65151
   A179       1.39289   0.00000   0.00045   0.00399   0.00447   1.39736
   A180       2.13662   0.00000   0.00060   0.00113   0.00174   2.13836
   A181       1.90224   0.00000   0.00280  -0.01733  -0.01446   1.88777
   A182       2.27323   0.00000   0.00263  -0.01389  -0.01124   2.26198
   A183       2.58917   0.00002   0.00274  -0.01540  -0.01266   2.57651
   A184       2.25680   0.00002   0.00152  -0.00714  -0.00560   2.25121
   A185       2.32655   0.00001   0.00291  -0.00760  -0.00468   2.32187
   A186       0.69116   0.00002   0.00038  -0.00031   0.00005   0.69122
   A187       0.98139   0.00001   0.00074  -0.00059   0.00014   0.98153
   A188       0.69996   0.00000   0.00019  -0.00013   0.00007   0.70002
   A189       2.10534   0.00000  -0.00357   0.01086   0.00725   2.11259
   A190       1.72744   0.00000  -0.00249   0.00569   0.00321   1.73065
   A191       1.39929  -0.00002  -0.00429   0.01082   0.00653   1.40582
   A192       1.09512  -0.00001  -0.00407   0.00947   0.00539   1.10051
   A193       1.61620   0.00001   0.00076  -0.00330  -0.00253   1.61367
   A194       1.39783   0.00001   0.00044  -0.00230  -0.00185   1.39598
   A195       0.66663   0.00000   0.00027   0.00006   0.00032   0.66695
   A196       2.25272   0.00000   0.00012   0.00364   0.00375   2.25646
   A197       1.85600   0.00000   0.00001   0.00228   0.00231   1.85831
   A198       1.63839  -0.00002  -0.00306   0.00995   0.00689   1.64528
   A199       1.31900  -0.00001  -0.00242   0.00838   0.00594   1.32493
   A200       1.60729   0.00002   0.00272  -0.00472  -0.00199   1.60530
   A201       1.33563   0.00000   0.00234  -0.00339  -0.00104   1.33458
   A202       0.70911   0.00000   0.00079  -0.00054   0.00025   0.70936
   A203       2.63718   0.00000   0.00261  -0.00118   0.00145   2.63863
   A204       2.25220   0.00001   0.00137   0.00057   0.00199   2.25419
   A205       2.04809   0.00000  -0.00286   0.00986   0.00701   2.05510
   A206       1.72906   0.00000  -0.00223   0.00829   0.00603   1.73509
   A207       1.94668   0.00003   0.00420  -0.00572  -0.00150   1.94518
   A208       1.66126   0.00001   0.00386  -0.00432  -0.00046   1.66081
   A209       0.83618  -0.00002  -0.00032   0.00078   0.00046   0.83664
   A210       2.67998  -0.00003   0.00541  -0.00979  -0.00443   2.67555
   A211       2.38418  -0.00001   0.00229  -0.00136   0.00098   2.38516
   A212       2.29286  -0.00002  -0.00248   0.00969   0.00722   2.30009
   A213       1.97615  -0.00001  -0.00180   0.00815   0.00633   1.98249
   A214       2.00712   0.00002   0.00361  -0.00418  -0.00055   2.00657
   A215       1.72814  -0.00001   0.00327  -0.00282   0.00046   1.72860
   A216       1.93036   0.00000   0.00264  -0.00211   0.00047   1.93083
   A217       1.56264   0.00001   0.00182  -0.00069   0.00114   1.56378
   A218       1.49081  -0.00001  -0.00129   0.00773   0.00645   1.49726
   A219       1.19858   0.00000  -0.00016   0.00591   0.00572   1.20430
   A220       1.23800   0.00003   0.00333  -0.00514  -0.00180   1.23620
   A221       0.95350   0.00001   0.00290  -0.00372  -0.00081   0.95269
   A222       0.72023   0.00002  -0.00030   0.00304   0.00270   0.72293
   A223       1.01112   0.00001   0.00036   0.00202   0.00236   1.01349
   A224       0.69876  -0.00003  -0.00001   0.00069   0.00067   0.69943
   A225       0.98476  -0.00001   0.00026  -0.00050  -0.00026   0.98450
   A226       0.65550   0.00001   0.00109  -0.00184  -0.00074   0.65476
   A227       0.66506  -0.00001  -0.00026  -0.00032  -0.00056   0.66450
   A228       0.70750  -0.00003  -0.00027  -0.00063  -0.00091   0.70658
   A229       0.84829  -0.00001  -0.00190   0.00322   0.00131   0.84960
   A230       0.75904  -0.00001   0.00273  -0.00615  -0.00344   0.75559
   A231       0.77500   0.00001   0.00098  -0.00180  -0.00086   0.77414
   A232       1.59405  -0.00014   0.00133   0.00441   0.00575   1.59980
   A233       1.85926   0.00010  -0.00240  -0.00637  -0.00876   1.85050
   A234       2.19091  -0.00004   0.00000   0.00114   0.00113   2.19204
   A235       2.12900   0.00003   0.00031  -0.00040  -0.00005   2.12895
   A236       1.96285   0.00001  -0.00035  -0.00072  -0.00110   1.96175
   A237       2.12386   0.00003   0.00076  -0.00136  -0.00062   2.12324
   A238       2.12659  -0.00005   0.00034  -0.00029   0.00006   2.12665
   A239       2.03234   0.00001  -0.00097   0.00152   0.00053   2.03286
   A240       1.83997  -0.00005  -0.00105  -0.00921  -0.01025   1.82972
   A241       2.53413   0.00008   0.00129   0.00959   0.01087   2.54500
   A242       1.91396  -0.00003  -0.00006  -0.00014  -0.00019   1.91378
   A243       1.91792  -0.00001  -0.00103  -0.00135  -0.00238   1.91554
   A244       1.91318   0.00007  -0.00077   0.00196   0.00119   1.91437
   A245       1.91077  -0.00001   0.00097  -0.00105  -0.00011   1.91066
   A246       1.90858  -0.00003  -0.00006  -0.00054  -0.00061   1.90797
   A247       1.89932   0.00002   0.00096   0.00114   0.00212   1.90143
   A248       1.27510   0.00001  -0.00318  -0.00117  -0.00434   1.27076
   A249       1.90370  -0.00001  -0.00072  -0.00041  -0.00114   1.90257
   A250       1.90925   0.00003   0.00049  -0.00105  -0.00060   1.90865
   A251       1.92854   0.00000   0.00001   0.00077   0.00079   1.92933
   A252       1.91101   0.00000   0.00027   0.00040   0.00070   1.91170
   A253       1.89883   0.00000   0.00006   0.00039   0.00045   1.89928
   A254       1.91239  -0.00002  -0.00011  -0.00009  -0.00019   1.91219
   A255       1.71713   0.00007   0.00183  -0.00146   0.00037   1.71751
   A256       1.76776  -0.00002  -0.00270   0.00098  -0.00173   1.76603
   A257       2.19046   0.00004   0.00017  -0.00038  -0.00020   2.19025
   A258       2.13024  -0.00002  -0.00008  -0.00002  -0.00010   2.13014
   A259       1.96228  -0.00002  -0.00010   0.00039   0.00029   1.96257
   A260       2.12488   0.00000  -0.00003   0.00008   0.00004   2.12491
   A261       2.12296   0.00000   0.00000  -0.00015  -0.00013   2.12283
   A262       2.03493   0.00000   0.00001   0.00006   0.00006   2.03499
   A263       1.34569   0.00005  -0.00088  -0.00151  -0.00239   1.34330
   A264       1.90036  -0.00001  -0.00039   0.00004  -0.00036   1.90001
   A265       1.93126   0.00001   0.00031  -0.00013   0.00018   1.93143
   A266       1.90997   0.00001  -0.00013   0.00001  -0.00012   1.90986
   A267       1.89716   0.00001   0.00018  -0.00021  -0.00003   1.89713
   A268       1.91320   0.00001  -0.00005   0.00021   0.00017   1.91337
   A269       1.91175  -0.00003   0.00008   0.00008   0.00016   1.91191
   A270       2.66402   0.00002   0.00210  -0.00189   0.00021   2.66423
   A271       1.69938  -0.00001  -0.00215   0.00187  -0.00028   1.69910
   A272       1.92472  -0.00002   0.00020   0.00031   0.00051   1.92523
   A273       1.91280   0.00003   0.00010  -0.00002   0.00006   1.91286
   A274       1.91337   0.00001  -0.00010  -0.00020  -0.00031   1.91307
   A275       1.89407   0.00001   0.00006  -0.00039  -0.00032   1.89375
   A276       1.91095   0.00000  -0.00008  -0.00003  -0.00011   1.91085
   A277       1.90774  -0.00003  -0.00019   0.00033   0.00016   1.90789
   A278       1.79711   0.00005   0.00379  -0.00346   0.00032   1.79744
   A279       1.75956  -0.00005  -0.00332   0.00360   0.00028   1.75984
   A280       2.19008   0.00002   0.00014   0.00038   0.00052   2.19059
   A281       2.12993   0.00001  -0.00003  -0.00072  -0.00075   2.12918
   A282       1.96310  -0.00003  -0.00011   0.00032   0.00021   1.96331
   A283       2.12301   0.00001  -0.00023   0.00058   0.00031   2.12333
   A284       2.11595   0.00001  -0.00041   0.00036  -0.00004   2.11591
   A285       2.04145  -0.00002   0.00065  -0.00105  -0.00037   2.04108
   A286       2.68207   0.00008   0.00680  -0.00813  -0.00133   2.68074
   A287       1.67681  -0.00007  -0.00636   0.00796   0.00160   1.67841
   A288       1.92559   0.00001   0.00070  -0.00166  -0.00096   1.92463
   A289       1.91635   0.00000   0.00002   0.00066   0.00069   1.91703
   A290       1.91295  -0.00003  -0.00065   0.00075   0.00011   1.91307
   A291       1.88951   0.00003   0.00050  -0.00074  -0.00026   1.88925
   A292       1.91284  -0.00001  -0.00037   0.00030  -0.00007   1.91277
   A293       1.90636   0.00000  -0.00019   0.00069   0.00051   1.90686
   A294       1.36293  -0.00001  -0.00611   0.00213  -0.00399   1.35894
   A295       1.14509   0.00002   0.00444  -0.00151   0.00294   1.14802
   A296       1.93123   0.00001   0.00076  -0.00087  -0.00011   1.93112
   A297       1.90703  -0.00003  -0.00042   0.00033  -0.00008   1.90695
   A298       1.90320   0.00001  -0.00056   0.00060   0.00005   1.90325
   A299       1.90991   0.00001  -0.00021   0.00020  -0.00001   1.90990
   A300       1.89703   0.00000   0.00076  -0.00041   0.00035   1.89738
   A301       1.91537   0.00000  -0.00032   0.00015  -0.00018   1.91519
   A302       1.69702  -0.00030   0.00129  -0.02139  -0.02012   1.67690
   A303       1.77600   0.00006  -0.00243   0.00979   0.00735   1.78334
   A304       2.18991  -0.00012   0.00060  -0.00358  -0.00286   2.18705
   A305       2.13009   0.00007   0.00002   0.00033   0.00034   2.13043
   A306       1.96291   0.00005  -0.00063   0.00322   0.00247   1.96538
   A307       2.12247   0.00006   0.00119  -0.00034   0.00067   2.12315
   A308       2.12428  -0.00002  -0.00078   0.00048  -0.00025   2.12403
   A309       2.03504  -0.00004  -0.00050  -0.00081  -0.00134   2.03370
   A310       1.29586   0.00001   0.01547  -0.02945  -0.01410   1.28177
   A311       3.06246   0.00005  -0.01652   0.03218   0.01573   3.07818
   A312       1.91023   0.00000  -0.00065   0.00140   0.00081   1.91104
   A313       1.93204  -0.00002  -0.00091  -0.00325  -0.00345   1.92858
   A314       1.89997   0.00008   0.00131  -0.00073   0.00063   1.90060
   A315       1.91131  -0.00005   0.00012   0.00049   0.00028   1.91159
   A316       1.91171  -0.00001   0.00046   0.00036   0.00070   1.91241
   A317       1.89842   0.00001  -0.00032   0.00174   0.00106   1.89948
   A318       1.75404   0.00002  -0.00772   0.01921   0.01150   1.76555
   A319       1.91526  -0.00001  -0.00015   0.00083   0.00067   1.91592
   A320       1.91433   0.00007   0.00031  -0.00095  -0.00062   1.91371
   A321       1.92206  -0.00002   0.00032  -0.00149  -0.00117   1.92089
   A322       1.90603  -0.00003  -0.00025  -0.00080  -0.00106   1.90497
   A323       1.91043   0.00000  -0.00003   0.00088   0.00086   1.91129
   A324       1.89553  -0.00001  -0.00020   0.00153   0.00133   1.89686
   A325       2.94358  -0.00001  -0.00264   0.00875   0.00610   2.94968
   A326       3.35455   0.00000  -0.00393   0.00451   0.00056   3.35511
   A327       3.07402  -0.00001  -0.00422   0.00510   0.00088   3.07490
   A328       3.18749  -0.00001  -0.00329  -0.00126  -0.00454   3.18295
   A329       3.25744   0.00003  -0.00080  -0.00143  -0.00224   3.25521
   A330       3.27284   0.00000  -0.00633   0.00234  -0.00400   3.26884
   A331       3.66447   0.00002  -0.00775   0.02009   0.01236   3.67683
   A332       3.21867  -0.00001  -0.00209   0.00159  -0.00047   3.21819
   A333       2.98156   0.00001   0.00367  -0.01533  -0.01166   2.96989
   A334       2.91429   0.00001   0.00409  -0.01691  -0.01282   2.90147
   A335       3.22226   0.00001  -0.00102  -0.00165  -0.00268   3.21958
   A336       3.07943   0.00000   0.00071   0.00045   0.00115   3.08059
   A337       3.09933   0.00001   0.00254  -0.00093   0.00160   3.10093
   A338       3.04085   0.00004  -0.00069   0.00284   0.00213   3.04298
    D1        2.75705  -0.00002  -0.00143   0.00045  -0.00097   2.75608
    D2       -1.36151  -0.00001  -0.00112   0.00022  -0.00090  -1.36241
    D3        2.78338  -0.00002  -0.00222  -0.00260  -0.00482   2.77857
    D4       -1.33518  -0.00002  -0.00191  -0.00284  -0.00475  -1.33993
    D5        1.66083  -0.00002  -0.00037  -0.00074  -0.00111   1.65972
    D6       -2.45773  -0.00001  -0.00006  -0.00098  -0.00104  -2.45877
    D7        1.84398  -0.00002   0.00084  -0.00086  -0.00002   1.84396
    D8       -2.27458  -0.00001   0.00115  -0.00110   0.00005  -2.27453
    D9        0.32685  -0.00001  -0.00247   0.00204  -0.00042   0.32643
   D10        2.49148   0.00000  -0.00215   0.00181  -0.00035   2.49113
   D11        0.03568  -0.00001  -0.00072  -0.00256  -0.00329   0.03239
   D12        2.20031  -0.00001  -0.00041  -0.00280  -0.00322   2.19709
   D13       -0.43529  -0.00001  -0.00014  -0.00419  -0.00434  -0.43963
   D14        1.72934   0.00000   0.00018  -0.00443  -0.00427   1.72507
   D15       -0.55684  -0.00002   0.00104  -0.00524  -0.00421  -0.56105
   D16        1.60778  -0.00001   0.00135  -0.00547  -0.00414   1.60364
   D17        0.21126   0.00000   0.00088  -0.00546  -0.00459   0.20667
   D18        2.37589   0.00000   0.00119  -0.00570  -0.00452   2.37137
   D19        0.14400   0.00000   0.00130  -0.00704  -0.00575   0.13826
   D20        2.30863   0.00001   0.00162  -0.00728  -0.00568   2.30295
   D21        2.40563   0.00000   0.00170   0.00043   0.00212   2.40775
   D22       -1.71293   0.00001   0.00201   0.00019   0.00219  -1.71074
   D23        2.16084  -0.00001   0.00171   0.00039   0.00210   2.16295
   D24       -1.95772   0.00000   0.00202   0.00016   0.00217  -1.95554
   D25        1.72088  -0.00002   0.00099   0.00140   0.00241   1.72329
   D26       -2.39768  -0.00001   0.00130   0.00117   0.00248  -2.39520
   D27        1.41475   0.00000   0.00058   0.00207   0.00266   1.41741
   D28       -2.70381   0.00001   0.00089   0.00183   0.00273  -2.70108
   D29        2.36772  -0.00002   0.00266  -0.00131   0.00134   2.36906
   D30       -1.75084  -0.00002   0.00297  -0.00154   0.00141  -1.74943
   D31       -1.76277   0.00001  -0.00340   0.01415   0.01069  -1.75208
   D32        0.40186   0.00001  -0.00309   0.01391   0.01076   0.41262
   D33       -2.11010   0.00000  -0.00194   0.00744   0.00550  -2.10460
   D34        0.05453   0.00001  -0.00163   0.00720   0.00557   0.06010
   D35       -2.48264  -0.00001  -0.00323   0.01159   0.00837  -2.47427
   D36       -0.31801  -0.00001  -0.00291   0.01136   0.00844  -0.30957
   D37       -2.77029  -0.00001  -0.00279   0.00987   0.00707  -2.76322
   D38       -0.60567   0.00000  -0.00248   0.00963   0.00714  -0.59852
   D39       -2.13644   0.00000   0.00184  -0.00414  -0.00228  -2.13871
   D40        0.02819   0.00000   0.00215  -0.00438  -0.00221   0.02598
   D41       -2.39023   0.00000   0.00333  -0.00634  -0.00293  -2.39316
   D42       -0.22561   0.00000   0.00365  -0.00657  -0.00286  -0.22847
   D43        1.25760   0.00000   0.00028   0.00503   0.00531   1.26290
   D44       -1.92582  -0.00002   0.00737  -0.00166   0.00571  -1.92012
   D45        2.45189  -0.00001   0.00147   0.00353   0.00501   2.45690
   D46       -0.73153  -0.00003   0.00856  -0.00316   0.00541  -0.72612
   D47        2.93890   0.00000   0.00262   0.00276   0.00537   2.94427
   D48       -0.24452  -0.00002   0.00971  -0.00394   0.00577  -0.23875
   D49        2.86739   0.00000  -0.00046   0.01222   0.01177   2.87917
   D50       -0.31603  -0.00002   0.00663   0.00552   0.01218  -0.30385
   D51        2.05230  -0.00001   0.00016   0.00595   0.00609   2.05839
   D52       -1.13112  -0.00002   0.00725  -0.00075   0.00649  -1.12462
   D53        1.15619   0.00002   0.00324  -0.00549  -0.00229   1.15390
   D54       -2.02722   0.00001   0.01033  -0.01218  -0.00189  -2.02912
   D55        1.01348   0.00001   0.00437  -0.00476  -0.00040   1.01308
   D56       -2.16994  -0.00001   0.01146  -0.01145   0.00000  -2.16994
   D57        2.01856   0.00001   0.00248   0.00086   0.00332   2.02188
   D58       -1.16486  -0.00001   0.00957  -0.00583   0.00373  -1.16114
   D59        1.82269   0.00001   0.00271  -0.00062   0.00207   1.82476
   D60       -1.36073   0.00000   0.00980  -0.00731   0.00247  -1.35825
   D61       -2.27693   0.00002   0.00410   0.00400   0.00811  -2.26883
   D62        0.82283   0.00000   0.01120  -0.00269   0.00851   0.83134
   D63       -2.41451   0.00001   0.00346   0.00356   0.00702  -2.40749
   D64        0.68525  -0.00001   0.01056  -0.00313   0.00742   0.69268
   D65       -2.81653  -0.00001   0.00282   0.00386   0.00668  -2.80985
   D66        0.28324  -0.00002   0.00991  -0.00283   0.00708   0.29032
   D67       -2.99685   0.00001   0.00336   0.00303   0.00639  -2.99046
   D68        0.10291  -0.00001   0.01045  -0.00366   0.00679   0.10971
   D69       -2.14062  -0.00001   0.00328   0.00301   0.00629  -2.13433
   D70        0.95915  -0.00002   0.01037  -0.00368   0.00669   0.96584
   D71       -0.16908   0.00000   0.00409   0.00593   0.00997  -0.15911
   D72        2.93069  -0.00001   0.01118  -0.00076   0.01037   2.94106
   D73       -0.56406   0.00000   0.00406   0.00451   0.00859  -0.55547
   D74        2.53571  -0.00001   0.01115  -0.00219   0.00899   2.54470
   D75       -0.73026  -0.00001   0.00043   0.01458   0.01502  -0.71523
   D76        2.36951  -0.00003   0.00752   0.00788   0.01542   2.38493
   D77       -1.06868   0.00000   0.00070   0.01379   0.01450  -1.05419
   D78        2.03108  -0.00002   0.00779   0.00710   0.01490   2.04598
   D79       -0.84995   0.00002   0.00699  -0.00338   0.00363  -0.84631
   D80        2.24982   0.00001   0.01409  -0.01008   0.00404   2.25385
   D81       -1.15568   0.00000   0.00699  -0.00240   0.00461  -1.15107
   D82        1.94409  -0.00001   0.01408  -0.00909   0.00501   1.94909
   D83       -1.53848  -0.00001  -0.00220   0.00029  -0.00192  -1.54040
   D84       -2.61420  -0.00001  -0.00178  -0.00017  -0.00196  -2.61616
   D85       -2.94988  -0.00002  -0.00286  -0.00218  -0.00505  -2.95493
   D86        0.73580   0.00000  -0.00294   0.00393   0.00098   0.73678
   D87        0.31163  -0.00001  -0.00289   0.00290   0.00000   0.31163
   D88       -0.06095  -0.00002  -0.00394   0.00444   0.00048  -0.06047
   D89       -0.40003  -0.00002  -0.00269   0.00172  -0.00100  -0.40103
   D90        0.17997   0.00000  -0.00139  -0.00052  -0.00194   0.17803
   D91       -0.05823   0.00000  -0.00131  -0.00105  -0.00238  -0.06061
   D92        2.40519   0.00001  -0.00094   0.00303   0.00209   2.40728
   D93        2.05514   0.00001  -0.00088   0.00253   0.00165   2.05679
   D94        1.66295   0.00000  -0.00090   0.00258   0.00169   1.66464
   D95        1.37427   0.00001  -0.00087   0.00202   0.00116   1.37543
   D96        2.05540   0.00000  -0.00110   0.00163   0.00053   2.05593
   D97       -1.91159   0.00002  -0.00332   0.01435   0.01096  -1.90063
   D98       -2.44269   0.00001   0.00078   0.00296   0.00380  -2.43888
   D99       -2.65508  -0.00001  -0.00271   0.01076   0.00807  -2.64702
   D100      -2.98241   0.00000  -0.00150   0.00831   0.00680  -2.97561
   D101      -2.91236   0.00006   0.00953  -0.01412  -0.00449  -2.91685
   D102       2.84471   0.00000   0.00868  -0.01001  -0.00136   2.84335
   D103      -2.91578   0.00000   0.00567  -0.01181  -0.00615  -2.92193
   D104       1.18225   0.00000   0.00599  -0.01160  -0.00562   1.17663
   D105       2.79542   0.00000   0.00541  -0.01346  -0.00806   2.78735
   D106       0.61026   0.00000   0.00573  -0.01325  -0.00753   0.60272
   D107       2.29463   0.00001   0.00582  -0.01721  -0.01141   2.28321
   D108       0.10947   0.00001   0.00614  -0.01700  -0.01088   0.09858
   D109       1.73862   0.00000   0.00540  -0.01443  -0.00900   1.72963
   D110      -0.44654   0.00001   0.00572  -0.01422  -0.00847  -0.45500
   D111       2.57991   0.00001   0.00445  -0.01110  -0.00666   2.57325
   D112       0.39475   0.00001   0.00477  -0.01089  -0.00613   0.38862
   D113       2.24322   0.00001   0.00365  -0.01043  -0.00679   2.23643
   D114       0.05806   0.00001   0.00397  -0.01022  -0.00626   0.05180
   D115      -1.61261  -0.00002   0.00043  -0.00020   0.00023  -1.61238
   D116       2.48542  -0.00002   0.00075   0.00001   0.00076   2.48618
   D117      -1.77538  -0.00001   0.00025  -0.00068  -0.00043  -1.77581
   D118       2.32265  -0.00001   0.00057  -0.00047   0.00010   2.32275
   D119      -2.73541  -0.00002   0.00037  -0.00003   0.00034  -2.73506
   D120       1.36262  -0.00001   0.00069   0.00018   0.00087   1.36349
   D121      -2.69963  -0.00002   0.00112  -0.00076   0.00037  -2.69925
   D122       1.39840  -0.00002   0.00144  -0.00055   0.00090   1.39930
   D123       1.31716   0.00000   0.00145  -0.00892  -0.00747   1.30969
   D124      -0.86800   0.00000   0.00177  -0.00871  -0.00694  -0.87494
   D125       1.28763   0.00000   0.00201  -0.00762  -0.00561   1.28202
   D126      -0.89753   0.00000   0.00233  -0.00741  -0.00508  -0.90261
   D127       1.64282   0.00001   0.00265  -0.00740  -0.00476   1.63806
   D128      -0.54234   0.00002   0.00297  -0.00719  -0.00423  -0.54657
   D129       1.77262   0.00000   0.00127  -0.00466  -0.00341   1.76920
   D130      -0.41254   0.00000   0.00159  -0.00445  -0.00289  -0.41543
   D131       0.88795   0.00001   0.00206  -0.00697  -0.00490   0.88305
   D132      -1.29720   0.00002   0.00238  -0.00675  -0.00437  -1.30158
   D133      -0.95818   0.00001   0.00056  -0.00939  -0.00875  -0.96693
   D134       3.13985   0.00001   0.00087  -0.00918  -0.00822   3.13163
   D135      -0.53235   0.00000   0.00168  -0.01081  -0.00913  -0.54149
   D136      -2.71751   0.00000   0.00200  -0.01060  -0.00860  -2.72611
   D137      -0.23843   0.00001   0.00554  -0.02288  -0.01735  -0.25578
   D138      -2.42359   0.00002   0.00586  -0.02267  -0.01682  -2.44041
   D139       0.16959   0.00000   0.00593  -0.02155  -0.01564   0.15394
   D140      -2.01557   0.00000   0.00625  -0.02134  -0.01511  -2.03069
   D141      -0.31261  -0.00002  -0.00030  -0.00386  -0.00416  -0.31677
   D142      -2.49777  -0.00001   0.00002  -0.00365  -0.00363  -2.50140
   D143      -0.05635  -0.00001   0.00020  -0.00496  -0.00476  -0.06112
   D144      -2.24151   0.00000   0.00052  -0.00475  -0.00424  -2.24575
   D145      -2.47683  -0.00001   0.00378  -0.00372   0.00007  -2.47676
   D146      -2.72849   0.00001   0.00423  -0.00426  -0.00001  -2.72850
   D147      -2.40717  -0.00002   0.00165   0.00376   0.00546  -2.40171
   D148       2.99745   0.00002   0.00485  -0.00734  -0.00248   2.99496
   D149       2.61236   0.00002   0.00598  -0.01045  -0.00448   2.60788
   D150       1.51926  -0.00002   0.00044   0.00072   0.00117   1.52042
   D151       2.62011  -0.00001   0.00081   0.00050   0.00133   2.62144
   D152       2.99383  -0.00001   0.00136  -0.00004   0.00133   2.99516
   D153       1.17248   0.00000   0.00153  -0.01304  -0.01151   1.16096
   D154       1.23892   0.00000   0.00196  -0.00778  -0.00583   1.23309
   D155       1.63120   0.00001   0.00275  -0.00622  -0.00349   1.62771
   D156       1.71313  -0.00001   0.00118  -0.00232  -0.00116   1.71198
   D157       0.89163   0.00001   0.00161  -0.00488  -0.00327   0.88836
   D158      -0.99661   0.00002  -0.00229   0.00140  -0.00088  -0.99750
   D159      -0.67315   0.00001  -0.00160   0.00017  -0.00146  -0.67462
   D160      -0.71345   0.00001   0.00118  -0.00744  -0.00627  -0.71972
   D161      -0.40381   0.00000   0.00057  -0.00850  -0.00788  -0.41169
   D162      -0.29124  -0.00002  -0.00239   0.00228  -0.00014  -0.29138
   D163      -0.01207   0.00000  -0.00218   0.00103  -0.00117  -0.01324
   D164      -1.29228  -0.00001   0.00459  -0.00655  -0.00196  -1.29424
   D165       1.65798  -0.00001   0.00288  -0.00678  -0.00390   1.65408
   D166      -1.66344   0.00000   0.00450  -0.00635  -0.00185  -1.66529
   D167       1.28682   0.00000   0.00279  -0.00658  -0.00379   1.28303
   D168      -1.74267   0.00000   0.00377  -0.00481  -0.00103  -1.74370
   D169       1.20759   0.00000   0.00206  -0.00504  -0.00297   1.20461
   D170      -2.00002  -0.00001   0.00297  -0.00835  -0.00539  -2.00541
   D171       0.95024  -0.00001   0.00126  -0.00858  -0.00733   0.94291
   D172      -2.01293   0.00001   0.00462  -0.00659  -0.00198  -2.01492
   D173       0.93733   0.00001   0.00291  -0.00682  -0.00393   0.93340
   D174      -2.31558   0.00001   0.00471  -0.00632  -0.00162  -2.31720
   D175       0.63468   0.00001   0.00300  -0.00655  -0.00356   0.63112
   D176       1.97848  -0.00002   0.00075   0.00153   0.00226   1.98074
   D177      -1.35445  -0.00002  -0.00096   0.00130   0.00032  -1.35413
   D178       0.83143  -0.00001   0.00109   0.00129   0.00239   0.83382
   D179      -2.50150  -0.00001  -0.00062   0.00106   0.00044  -2.50105
   D180       0.36643  -0.00001   0.00104   0.00095   0.00198   0.36841
   D181      -2.96650  -0.00001  -0.00067   0.00072   0.00004  -2.96645
   D182      -3.11556   0.00001   0.00295  -0.00674  -0.00380  -3.11936
   D183      -0.16530   0.00001   0.00124  -0.00697  -0.00574  -0.17104
   D184       2.90253   0.00000   0.00298  -0.00507  -0.00210   2.90044
   D185      -0.43039   0.00000   0.00127  -0.00530  -0.00404  -0.43443
   D186       3.05772   0.00000   0.00339  -0.00305   0.00033   3.05805
   D187      -0.27521   0.00000   0.00168  -0.00328  -0.00161  -0.27682
   D188       2.97024  -0.00001   0.00161   0.00085   0.00244   2.97267
   D189      -0.36269  -0.00001  -0.00010   0.00062   0.00050  -0.36220
   D190       2.45650   0.00001   0.00261  -0.00541  -0.00281   2.45369
   D191      -0.87643   0.00001   0.00090  -0.00564  -0.00475  -0.88118
   D192       0.32606   0.00002  -0.00429   0.01010   0.00583   0.33189
   D193      -3.00687   0.00002  -0.00600   0.00987   0.00389  -3.00298
   D194       0.63198   0.00001  -0.00294   0.00361   0.00067   0.63266
   D195      -2.70094   0.00001  -0.00465   0.00338  -0.00127  -2.70221
   D196       0.42570   0.00003  -0.00131  -0.00402  -0.00522   0.42048
   D197      -2.90723   0.00003  -0.00302  -0.00425  -0.00716  -2.91439
   D198       1.09939  -0.00003  -0.00211   0.00174  -0.00038   1.09901
   D199      -2.23353  -0.00003  -0.00382   0.00151  -0.00233  -2.23586
   D200       1.43383   0.00000  -0.00097  -0.00148  -0.00246   1.43137
   D201      -1.89910   0.00000  -0.00268  -0.00171  -0.00440  -1.90350
   D202       1.60783   0.00001   0.00081  -0.00006   0.00076   1.60859
   D203      -0.60418   0.00000   0.00073   0.00061   0.00134  -0.60284
   D204       1.68074   0.00001   0.00161   0.00058   0.00219   1.68293
   D205      -0.53127   0.00000   0.00153   0.00124   0.00277  -0.52850
   D206       1.36147   0.00003   0.00323  -0.00065   0.00259   1.36406
   D207      -0.85053   0.00002   0.00314   0.00002   0.00316  -0.84737
   D208       1.19541   0.00003   0.00528   0.00108   0.00638   1.20179
   D209      -1.01660   0.00002   0.00519   0.00174   0.00696  -1.00964
   D210       2.11286   0.00001   0.00166   0.00087   0.00254   2.11540
   D211      -0.09914   0.00000   0.00158   0.00154   0.00311  -0.09603
   D212       2.23039   0.00002   0.00080   0.00195   0.00275   2.23314
   D213       0.01839   0.00001   0.00071   0.00262   0.00333   0.02171
   D214      -2.23183   0.00002   0.00290   0.00149   0.00437  -2.22746
   D215       1.83935   0.00001   0.00281   0.00215   0.00495   1.84430
   D216      -2.39492   0.00001   0.00231   0.00525   0.00755  -2.38738
   D217       1.67626   0.00000   0.00222   0.00591   0.00812   1.68438
   D218      -2.00090   0.00001   0.00226   0.01043   0.01267  -1.98823
   D219       2.07028   0.00000   0.00217   0.01109   0.01324   2.08352
   D220      -2.10492   0.00002   0.00025   0.02253   0.02282  -2.08210
   D221       1.96626   0.00001   0.00016   0.02320   0.02339   1.98965
   D222      -2.88952  -0.00001   0.00170   0.00428   0.00597  -2.88355
   D223       1.18166  -0.00001   0.00162   0.00495   0.00655   1.18821
   D224       3.05730  -0.00002   0.00132   0.00367   0.00498   3.06228
   D225       0.84530  -0.00003   0.00123   0.00433   0.00556   0.85086
   D226      -2.71726   0.00000   0.00093  -0.00138  -0.00047  -2.71773
   D227       1.35392  -0.00001   0.00084  -0.00072   0.00011   1.35403
   D228      -2.66756   0.00002   0.00311  -0.00380  -0.00070  -2.66825
   D229       1.40362   0.00001   0.00303  -0.00314  -0.00012   1.40350
   D230      -1.57226  -0.00001   0.00186  -0.00198  -0.00012  -1.57238
   D231       2.49892  -0.00002   0.00177  -0.00132   0.00045   2.49937
   D232      -0.06970  -0.00002   0.01079  -0.01901  -0.00823  -0.07793
   D233      -2.28170  -0.00003   0.01070  -0.01835  -0.00765  -2.28936
   D234      -0.20317  -0.00001   0.00793  -0.01022  -0.00226  -0.20543
   D235      -2.41518  -0.00001   0.00784  -0.00956  -0.00168  -2.41686
   D236       0.07840  -0.00001   0.00495  -0.00281   0.00215   0.08055
   D237      -2.13361  -0.00002   0.00486  -0.00215   0.00273  -2.13088
   D238      -0.02490   0.00000   0.00628  -0.00343   0.00281  -0.02209
   D239      -2.23690  -0.00001   0.00619  -0.00277   0.00338  -2.23352
   D240      -0.59778   0.00003   0.00681  -0.00637   0.00045  -0.59733
   D241      -2.80978   0.00002   0.00672  -0.00571   0.00102  -2.80876
   D242      -0.78348   0.00000   0.00662  -0.00539   0.00124  -0.78224
   D243      -2.99548  -0.00001   0.00653  -0.00472   0.00182  -2.99367
   D244      -2.93049   0.00001  -0.00068  -0.00177  -0.00245  -2.93294
   D245      -0.01044   0.00001  -0.00144   0.00121  -0.00024  -0.01067
   D246      -3.11852   0.00000  -0.00015  -0.00097  -0.00112  -3.11963
   D247      -0.19846   0.00000  -0.00091   0.00201   0.00110  -0.19736
   D248       2.78076   0.00002   0.00062  -0.00172  -0.00110   2.77966
   D249      -0.58237   0.00002  -0.00014   0.00126   0.00112  -0.58125
   D250       2.54348   0.00001   0.00132  -0.00104   0.00028   2.54376
   D251      -0.81965   0.00001   0.00056   0.00193   0.00250  -0.81715
   D252      -2.88788   0.00001   0.00027  -0.00021   0.00006  -2.88782
   D253       0.03217   0.00001  -0.00049   0.00276   0.00228   0.03445
   D254      -3.06154   0.00001  -0.00039   0.00040   0.00003  -3.06151
   D255      -0.14148   0.00001  -0.00115   0.00338   0.00224  -0.13924
   D256      -0.64836   0.00002  -0.00009   0.00227   0.00216  -0.64620
   D257       2.27169   0.00002  -0.00085   0.00524   0.00438   2.27607
   D258      -0.89334   0.00000  -0.00077   0.00461   0.00382  -0.88952
   D259       2.02671   0.00000  -0.00153   0.00758   0.00604   2.03275
   D260      -0.72714  -0.00001  -0.00166   0.00720   0.00554  -0.72160
   D261       2.19292  -0.00001  -0.00242   0.01017   0.00775   2.20067
   D262      -0.92979  -0.00001  -0.00268   0.00860   0.00592  -0.92387
   D263       1.99027  -0.00001  -0.00344   0.01157   0.00813   1.99840
   D264      -1.30118   0.00000  -0.00093   0.00484   0.00389  -1.29729
   D265       1.61888   0.00000  -0.00169   0.00782   0.00611   1.62498
   D266      -1.53942  -0.00001  -0.00116   0.00532   0.00415  -1.53527
   D267       1.38064  -0.00001  -0.00192   0.00829   0.00637   1.38701
   D268       1.98336   0.00000  -0.00164  -0.00043  -0.00206   1.98130
   D269      -1.37977   0.00000  -0.00239   0.00254   0.00015  -1.37962
   D270       0.86139   0.00001  -0.00109  -0.00086  -0.00195   0.85944
   D271      -2.50175   0.00001  -0.00184   0.00212   0.00027  -2.50147
   D272       0.97815  -0.00006   0.01632  -0.03849  -0.02233   0.95581
   D273      -2.38499  -0.00006   0.01556  -0.03552  -0.02012  -2.40510
   D274       1.14030  -0.00002   0.00749  -0.01362  -0.00609   1.13421
   D275      -2.22284  -0.00002   0.00674  -0.01064  -0.00387  -2.22670
   D276       1.59773  -0.00001   0.00376  -0.00488  -0.00104   1.59670
   D277      -1.76540  -0.00001   0.00300  -0.00190   0.00118  -1.76422
   D278       1.58170   0.00000   0.00410  -0.00487  -0.00076   1.58094
   D279      -1.78143   0.00000   0.00334  -0.00190   0.00146  -1.77997
   D280       0.82461   0.00001   0.00288  -0.00259   0.00031   0.82491
   D281      -2.53852   0.00001   0.00212   0.00038   0.00252  -2.53600
   D282       0.80318  -0.00001   0.00258  -0.00220   0.00040   0.80358
   D283      -2.55995  -0.00001   0.00182   0.00078   0.00262  -2.55733
   D284       1.57715   0.00002   0.00146   0.00194   0.00341   1.58056
   D285      -2.64061   0.00002   0.00275   0.00150   0.00427  -2.63635
   D286       1.64009   0.00000   0.00284   0.00170   0.00454   1.64462
   D287      -2.57768   0.00000   0.00413   0.00127   0.00539  -2.57229
   D288       1.33063   0.00002   0.00405   0.00094   0.00499   1.33562
   D289      -2.88713   0.00002   0.00534   0.00051   0.00585  -2.88128
   D290       1.24035   0.00002   0.00545   0.00267   0.00812   1.24847
   D291      -2.97742   0.00002   0.00674   0.00223   0.00898  -2.96844
   D292       2.03729   0.00000   0.00353   0.00104   0.00456   2.04185
   D293      -2.18048   0.00001   0.00483   0.00060   0.00542  -2.17506
   D294       2.01873   0.00000   0.00284   0.00147   0.00431   2.02303
   D295      -2.19904   0.00001   0.00413   0.00104   0.00517  -2.19387
   D296      -2.30179   0.00001   0.00449   0.00261   0.00710  -2.29470
   D297      -0.23637   0.00002   0.00578   0.00218   0.00795  -0.22842
   D298      -2.27370   0.00000   0.00391   0.00525   0.00915  -2.26456
   D299      -0.20828   0.00001   0.00520   0.00481   0.01001  -0.19828
   D300      -1.88437   0.00000   0.00366   0.00614   0.00978  -1.87459
   D301       0.18105   0.00000   0.00495   0.00570   0.01064   0.19169
   D302      -1.82142   0.00000   0.00308   0.00755   0.01062  -1.81081
   D303       0.24400   0.00000   0.00438   0.00711   0.01148   0.25547
   D304      -2.61765  -0.00001   0.00329   0.00699   0.01027  -2.60738
   D305      -0.55223  -0.00001   0.00458   0.00655   0.01112  -0.54110
   D306      -2.74081  -0.00002   0.00326   0.00851   0.01178  -2.72902
   D307      -0.67539  -0.00002   0.00455   0.00808   0.01264  -0.66275
   D308       1.51902  -0.00002   0.00295  -0.00076   0.00219   1.52121
   D309      -2.69874  -0.00002   0.00425  -0.00120   0.00305  -2.69569
   D310       2.61971   0.00000   0.00288  -0.00081   0.00205   2.62176
   D311      -1.59806   0.00001   0.00417  -0.00124   0.00290  -1.59515
   D312       2.99939   0.00000   0.00444  -0.00256   0.00187   3.00126
   D313      -1.21838   0.00000   0.00573  -0.00300   0.00273  -1.21565
   D314      -0.46170  -0.00003   0.01150  -0.02006  -0.00856  -0.47026
   D315       1.60372  -0.00003   0.01279  -0.02050  -0.00770   1.59602
   D316      -0.30638  -0.00002   0.00917  -0.01066  -0.00147  -0.30785
   D317       1.75904  -0.00001   0.01047  -0.01110  -0.00061   1.75842
   D318       0.11967  -0.00001   0.00808  -0.00840  -0.00030   0.11937
   D319       2.18509   0.00000   0.00937  -0.00883   0.00056   2.18565
   D320       0.25248   0.00000   0.00910  -0.00884   0.00025   0.25273
   D321       2.31790   0.00000   0.01039  -0.00927   0.00111   2.31900
   D322      -0.55808   0.00001   0.00686  -0.00266   0.00422  -0.55386
   D323       1.50734   0.00001   0.00815  -0.00310   0.00508   1.51242
   D324      -0.59299  -0.00001   0.00752  -0.00266   0.00487  -0.58812
   D325       1.47243  -0.00001   0.00881  -0.00310   0.00573   1.47816
   D326       0.07882   0.00001  -0.00397   0.02164   0.01770   0.09652
   D327       2.25943  -0.00001  -0.00427   0.01760   0.01336   2.27279
   D328       0.38502   0.00000  -0.00397   0.01917   0.01521   0.40023
   D329       2.56563  -0.00001  -0.00426   0.01513   0.01087   2.57650
   D330       0.75066   0.00000  -0.00487   0.02199   0.01709   0.76775
   D331       2.93127  -0.00002  -0.00517   0.01795   0.01275   2.94402
   D332       1.03005   0.00001  -0.00521   0.02311   0.01787   1.04793
   D333      -3.07252  -0.00001  -0.00550   0.01907   0.01353  -3.05899
   D334       0.32355  -0.00002  -0.00322   0.01261   0.00942   0.33297
   D335       2.50416  -0.00003  -0.00352   0.00857   0.00508   2.50924
   D336       0.71520  -0.00001  -0.00597   0.01774   0.01172   0.72692
   D337       2.89581  -0.00002  -0.00626   0.01370   0.00738   2.90319
   D338      -2.33860   0.00000  -0.00256   0.01843   0.01581  -2.32279
   D339      -0.15800  -0.00001  -0.00285   0.01439   0.01147  -0.14652
   D340      -1.96143   0.00001  -0.00193   0.01522   0.01324  -1.94819
   D341       0.21918  -0.00001  -0.00223   0.01118   0.00890   0.22808
   D342      -1.91719   0.00002  -0.00310   0.01532   0.01219  -1.90500
   D343       0.26341   0.00001  -0.00340   0.01128   0.00785   0.27127
   D344      -1.61958   0.00003  -0.00407   0.01811   0.01403  -1.60555
   D345       0.56103   0.00002  -0.00437   0.01407   0.00969   0.57072
   D346      -1.58969   0.00000  -0.00022   0.01156   0.01132  -1.57836
   D347       0.59092  -0.00001  -0.00052   0.00752   0.00698   0.59790
   D348      -1.28962   0.00001  -0.00017   0.01012   0.00998  -1.27964
   D349       0.89098   0.00000  -0.00047   0.00608   0.00564   0.89663
   D350       1.84021   0.00001  -0.00785   0.02853   0.02064   1.86086
   D351      -2.26236   0.00000  -0.00814   0.02449   0.01630  -2.24606
   D352       2.27254   0.00003  -0.01026   0.03409   0.02384   2.29637
   D353      -1.83004   0.00001  -0.01055   0.03005   0.01950  -1.81055
   D354       2.51588   0.00006  -0.01847   0.05274   0.03444   2.55032
   D355      -1.58670   0.00005  -0.01877   0.04870   0.03010  -1.55660
   D356      -3.13545   0.00003  -0.01301   0.04737   0.03440  -3.10104
   D357      -0.95484   0.00002  -0.01331   0.04333   0.03006  -0.92478
   D358       2.59701   0.00002  -0.00621   0.02654   0.02033   2.61733
   D359      -1.50557   0.00000  -0.00651   0.02250   0.01599  -1.48958
   D360       1.61795   0.00000   0.00106   0.00436   0.00537   1.62333
   D361      -2.48463  -0.00001   0.00076   0.00032   0.00104  -2.48359
   D362       1.79321  -0.00001  -0.00305   0.01202   0.00899   1.80220
   D363      -2.30936  -0.00002  -0.00335   0.00798   0.00465  -2.30472
   D364       2.73887  -0.00003   0.00084   0.00046   0.00128   2.74016
   D365      -1.36371  -0.00005   0.00054  -0.00358  -0.00305  -1.36676
   D366       2.72549   0.00000  -0.00204   0.00922   0.00714   2.73263
   D367      -1.37709  -0.00001  -0.00234   0.00517   0.00280  -1.37428
   D368       0.05918   0.00000  -0.00067   0.00733   0.00674   0.06592
   D369      -2.49516   0.00001  -0.03153   0.06090   0.02943  -2.46573
   D370       0.45851  -0.00001  -0.00073   0.00736   0.00668   0.46519
   D371      -2.09583   0.00000  -0.03159   0.06093   0.02938  -2.06645
   D372       0.67186  -0.00002  -0.00100   0.01059   0.00963   0.68149
   D373      -1.88249  -0.00001  -0.03186   0.06416   0.03233  -1.85016
   D374       0.94277  -0.00001  -0.00026   0.01229   0.01203   0.95479
   D375      -1.61158   0.00000  -0.03112   0.06587   0.03473  -1.57685
   D376       0.69936  -0.00001  -0.00037   0.00320   0.00287   0.70222
   D377      -1.85499  -0.00001  -0.03123   0.05677   0.02556  -1.82943
   D378       1.03946  -0.00001  -0.00081   0.00421   0.00343   1.04290
   D379      -1.51488   0.00000  -0.03167   0.05779   0.02613  -1.48875
   D380      -2.75635  -0.00002  -0.00072   0.01385   0.01317  -2.74319
   D381       0.97249  -0.00001  -0.03158   0.06743   0.03586   1.00835
   D382      -2.20096  -0.00002   0.00104   0.01000   0.01101  -2.18995
   D383       1.52788  -0.00001  -0.02982   0.06357   0.03371   1.56159
   D384      -1.96761  -0.00001   0.00246   0.00168   0.00415  -1.96346
   D385       1.76123   0.00000  -0.02840   0.05526   0.02685   1.78808
   D386      -1.63768   0.00000   0.00315  -0.00092   0.00224  -1.63544
   D387       2.09116   0.00001  -0.02772   0.05265   0.02494   2.11610
   D388      -1.68141  -0.00003   0.00481   0.00304   0.00775  -1.67365
   D389       2.04743  -0.00002  -0.02605   0.05662   0.03045   2.07788
   D390      -1.11100   0.00000   0.00793  -0.01362  -0.00556  -1.11656
   D391       2.61784   0.00001  -0.02293   0.03996   0.01713   2.63498
   D392       1.79324  -0.00002   0.00144   0.00336   0.00482   1.79805
   D393      -0.76111  -0.00001  -0.02942   0.05694   0.02751  -0.73359
   D394       2.09307  -0.00001   0.00056   0.00362   0.00418   2.09725
   D395      -0.46128   0.00000  -0.03031   0.05720   0.02688  -0.43440
   D396       2.03904  -0.00001  -0.00159   0.00554   0.00392   2.04296
   D397      -0.51531   0.00000  -0.03245   0.05912   0.02662  -0.48869
   D398       2.23431   0.00000  -0.00140   0.00609   0.00466   2.23896
   D399      -0.32004   0.00001  -0.03226   0.05966   0.02735  -0.29268
   D400       2.49320  -0.00001   0.00152   0.00277   0.00431   2.49751
   D401      -0.06114   0.00000  -0.02934   0.05634   0.02701  -0.03414
   D402      -1.54208  -0.00002   0.00870  -0.01599  -0.00729  -1.54937
   D403       2.18676  -0.00002  -0.02216   0.03758   0.01541   2.20217
   D404      -2.64222   0.00003   0.00831  -0.01536  -0.00706  -2.64928
   D405       1.08662   0.00004  -0.02255   0.03821   0.01564   1.10226
   D406      -2.99941   0.00001   0.00602  -0.00947  -0.00345  -3.00286
   D407       0.72944   0.00002  -0.02484   0.04411   0.01924   0.74868
   D408       1.93103   0.00000  -0.00573   0.02014   0.01440   1.94543
   D409       2.42697  -0.00002  -0.00836   0.02331   0.01491   2.44187
   D410       2.65480  -0.00001  -0.00663   0.02076   0.01412   2.66893
   D411       2.88462   0.00000  -0.00517   0.02133   0.01617   2.90079
   D412       2.85607  -0.00006  -0.01453   0.03041   0.01580   2.87187
   D413      -2.93691  -0.00004  -0.01286   0.02650   0.01365  -2.92327
   D414      -0.74443   0.00000  -0.00320   0.01470   0.01150  -0.73293
   D415      -0.36330   0.00001  -0.00282   0.01459   0.01177  -0.35153
   D416      -0.05389   0.00000  -0.00363   0.01461   0.01097  -0.04292
   D417       0.25477   0.00001  -0.00352   0.01457   0.01105   0.26582
   D418      -0.22783   0.00001  -0.00156   0.01419   0.01264  -0.21518
   D419       0.08323   0.00002   0.00012   0.01160   0.01172   0.09496
   D420      -2.55360  -0.00001  -0.00488   0.01506   0.01018  -2.54342
   D421      -2.17077  -0.00001  -0.00478   0.01475   0.00997  -2.16080
   D422      -1.92911   0.00000  -0.00595   0.01536   0.00940  -1.91971
   D423      -1.61730  -0.00001  -0.00464   0.01378   0.00912  -1.60818
   D424      -1.95444   0.00000  -0.00322   0.01413   0.01093  -1.94351
   D425       1.32764  -0.00005   0.00341  -0.01133  -0.00787   1.31977
   D426       2.48028   0.00003   0.00310  -0.00610  -0.00301   2.47728
   D427       2.95394   0.00002   0.00070  -0.00055   0.00023   2.95417
   D428      -3.08164   0.00011  -0.00590  -0.00019  -0.00610  -3.08773
   D429       0.02866   0.00009  -0.00196  -0.00543  -0.00740   0.02126
   D430       0.02896   0.00011  -0.00723   0.00020  -0.00703   0.02192
   D431       3.13926   0.00009  -0.00330  -0.00505  -0.00834   3.13092
   D432      -0.08856   0.00003   0.00504   0.00473   0.00977  -0.07879
   D433       2.01259  -0.00002   0.00555   0.00249   0.00803   2.02061
   D434      -2.18405   0.00004   0.00563   0.00427   0.00990  -2.17415
   D435       3.08272   0.00005   0.00128   0.00973   0.01101   3.09374
   D436      -1.09932   0.00000   0.00179   0.00750   0.00927  -1.09005
   D437       0.98724   0.00006   0.00187   0.00927   0.01114   0.99838
   D438      -2.38509   0.00004  -0.00399  -0.00045  -0.00445  -2.38954
   D439      -0.29529   0.00005  -0.00380  -0.00084  -0.00464  -0.29993
   D440       1.81153   0.00004  -0.00362  -0.00114  -0.00477   1.80676
   D441       0.72676   0.00002  -0.00021  -0.00548  -0.00571   0.72106
   D442       2.81657   0.00003  -0.00002  -0.00587  -0.00590   2.81067
   D443      -1.35980   0.00002   0.00016  -0.00617  -0.00603  -1.36583
   D444       0.00102   0.00002   0.00198  -0.00062   0.00136   0.00237
   D445       3.11043   0.00004   0.00089  -0.00088   0.00001   3.11043
   D446      -3.11906  -0.00001   0.00239  -0.00053   0.00186  -3.11720
   D447      -0.00965   0.00001   0.00130  -0.00079   0.00051  -0.00914
   D448       2.42479  -0.00001   0.00090   0.00109   0.00200   2.42679
   D449      -1.77433   0.00000   0.00106   0.00078   0.00185  -1.77248
   D450       0.33390  -0.00002   0.00128   0.00080   0.00208   0.33598
   D451      -0.68616  -0.00003   0.00194   0.00134   0.00329  -0.68287
   D452       1.39791  -0.00002   0.00210   0.00103   0.00313   1.40104
   D453      -2.77705  -0.00004   0.00232   0.00105   0.00337  -2.77369
   D454       2.06660  -0.00002  -0.00099   0.00243   0.00144   2.06804
   D455      -2.13254   0.00000  -0.00072   0.00212   0.00141  -2.13114
   D456      -0.03868  -0.00002  -0.00095   0.00240   0.00145  -0.03723
   D457      -1.10560  -0.00001  -0.00203   0.00218   0.00016  -1.10544
   D458       0.97845   0.00001  -0.00176   0.00188   0.00012   0.97857
   D459       3.07231   0.00000  -0.00199   0.00216   0.00016   3.07247
   D460      -3.09395   0.00002   0.00330  -0.00318   0.00012  -3.09382
   D461      -0.03475   0.00003   0.00351  -0.00480  -0.00129  -0.03604
   D462       0.06089   0.00002   0.00369  -0.00201   0.00169   0.06257
   D463       3.12009   0.00003   0.00390  -0.00363   0.00027   3.12036
   D464       1.95719  -0.00006  -0.00798   0.00686  -0.00113   1.95606
   D465      -2.24481  -0.00002  -0.00693   0.00533  -0.00162  -2.24643
   D466      -0.15071  -0.00003  -0.00755   0.00706  -0.00050  -0.15121
   D467      -1.10537  -0.00007  -0.00814   0.00836   0.00021  -1.10515
   D468       0.97582  -0.00003  -0.00708   0.00682  -0.00027   0.97555
   D469       3.06992  -0.00005  -0.00771   0.00855   0.00084   3.07076
   D470      -1.65946   0.00001   0.00864  -0.00228   0.00636  -1.65310
   D471       0.44455   0.00001   0.00858  -0.00236   0.00622   0.45077
   D472       2.53804   0.00001   0.00760  -0.00162   0.00597   2.54402
   D473       1.40344   0.00002   0.00880  -0.00376   0.00504   1.40847
   D474      -2.77573   0.00002   0.00874  -0.00384   0.00490  -2.77083
   D475      -0.68224   0.00002   0.00776  -0.00310   0.00465  -0.67759
   D476      -0.00830   0.00024  -0.00080   0.00141   0.00058  -0.00772
   D477      -3.09122   0.00028   0.00191   0.01552   0.01746  -3.07376
   D478       3.10849   0.00000  -0.00121  -0.00035  -0.00156   3.10692
   D479       0.02556   0.00004   0.00151   0.01376   0.01531   0.04088
   D480      -0.36301   0.00010   0.01855  -0.01325   0.00522  -0.35779
   D481       1.74532   0.00002   0.01771  -0.01380   0.00390   1.74923
   D482      -2.45201   0.00007   0.01759  -0.01409   0.00351  -2.44850
   D483       2.72277   0.00006   0.01596  -0.02664  -0.01079   2.71197
   D484      -1.45208  -0.00002   0.01511  -0.02719  -0.01211  -1.46420
   D485       0.63377   0.00003   0.01499  -0.02748  -0.01251   0.62126
   D486      -0.03665  -0.00005   0.00555  -0.03172  -0.02618  -0.06283
   D487       2.05723  -0.00005   0.00534  -0.03277  -0.02746   2.02977
   D488      -2.14079  -0.00003   0.00548  -0.03241  -0.02693  -2.16772
   D489      -3.12236  -0.00001   0.00809  -0.01829  -0.01019  -3.13255
   D490      -1.02849  -0.00001   0.00788  -0.01934  -0.01146  -1.03995
   D491       1.05668   0.00001   0.00802  -0.01897  -0.01093   1.04574
         Item               Value     Threshold  Converged?
 Maximum Force            0.000304     0.000450     YES
 RMS     Force            0.000031     0.000300     YES
 Maximum Displacement     0.121437     0.001800     NO 
 RMS     Displacement     0.009052     0.001200     NO 
 Predicted change in Energy=-2.172618D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:12:00 2016, MaxMem=  2952790016 cpu:         9.8
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.829119   -0.595187    1.668434
      2          6           0       -2.060244    1.124629   -1.360432
      3          8           0       -2.612732    0.155933   -1.909859
      4          7           0       -0.769409    1.161707   -0.931942
      5          1           0       -2.606216    2.063556   -1.138355
      6          6           0       -0.224995    2.327254   -0.234499
      7          1           0       -0.977973    3.127238   -0.208251
      8          1           0        0.051924    2.049160    0.795946
      9          1           0        0.673127    2.689006   -0.761123
     10          6           0        0.136402    0.024030   -1.107881
     11          1           0        0.713177   -0.121766   -0.181436
     12          1           0       -0.450609   -0.878979   -1.320762
     13          1           0        0.837677    0.212537   -1.937517
     14          6           0       -1.999420   -4.006237    2.606840
     15          8           0       -2.104941   -3.851592    3.835616
     16          7           0       -2.953301   -3.697472    1.686956
     17          1           0       -1.075571   -4.403650    2.141357
     18          6           0       -4.245243   -3.127873    2.077602
     19          1           0       -4.518918   -2.339419    1.358518
     20          1           0       -5.030473   -3.902172    2.069069
     21          1           0       -4.165050   -2.697298    3.084070
     22          6           0       -2.724193   -3.879350    0.253377
     23          1           0       -3.444780   -4.603665   -0.160331
     24          1           0       -2.857427   -2.916841   -0.267459
     25          1           0       -1.701133   -4.244203    0.086754
     26          6           0        1.542271    0.386097    2.621666
     27          8           0        1.352590    1.400380    3.314294
     28          7           0        1.174224   -0.880540    2.957201
     29          1           0        2.032856    0.436098    1.629671
     30          6           0        1.492444   -2.024493    2.102498
     31          1           0        2.229426   -2.678502    2.598076
     32          1           0        0.580879   -2.614092    1.911972
     33          1           0        1.899991   -1.668388    1.146480
     34          6           0        0.532310   -1.170011    4.242161
     35          1           0        1.281220   -1.484532    4.989082
     36          1           0        0.015921   -0.270316    4.599575
     37          1           0       -0.193248   -1.984865    4.105358
     38          6           0       -4.616343    1.098249    2.912574
     39          8           0       -4.890975    1.693152    1.856785
     40          7           0       -3.532925    1.348277    3.697456
     41          1           0       -5.240909    0.267838    3.299995
     42          6           0       -2.550402    2.377105    3.346601
     43          1           0       -2.619473    2.599031    2.272954
     44          1           0       -2.731825    3.297843    3.925701
     45          1           0       -1.542242    2.002280    3.581643
     46          6           0       -3.239941    0.541952    4.883869
     47          1           0       -4.038849   -0.195909    5.038278
     48          1           0       -2.281581    0.013926    4.745949
     49          1           0       -3.161211    1.190201    5.771363
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490733   0.000000
     3  O    3.739306   1.243176   0.000000
     4  N    3.312344   1.360601   2.316407   0.000000
     5  H    3.943458   1.108597   2.057738   2.056648   0.000000
     6  C    3.838624   2.466206   3.636310   1.463323   2.560607
     7  H    4.254744   2.551328   3.794280   2.104885   2.155850
     8  H    3.360377   3.156893   4.243357   2.108971   3.287466
     9  H    4.790606   3.205895   4.304988   2.107778   3.359700
    10  C    3.457546   2.469890   2.866758   1.464840   3.417974
    11  H    3.179531   3.261196   3.758488   2.099673   4.087750
    12  H    3.303955   2.570397   2.468370   2.101717   3.652181
    13  H    4.557093   3.092392   3.450984   2.120101   3.990656
    14  C    3.541874   6.486042   6.172551   6.383068   7.158008
    15  O    3.921343   7.194699   7.023432   7.046023   7.744717
    16  N    3.299742   5.773801   5.282214   5.936298   6.425907
    17  H    3.910994   6.617702   6.290073   6.364912   7.411082
    18  C    3.524141   5.888809   5.417409   6.288027   6.322952
    19  H    3.220778   5.043550   4.532396   5.618088   5.411007
    20  H    4.620101   6.771445   6.176209   7.266748   7.194061
    21  H    3.446661   6.228237   5.957344   6.523087   6.551685
    22  C    3.686363   5.299530   4.579904   5.535199   6.104832
    23  H    4.692828   6.014194   5.138766   6.402539   6.790549
    24  H    3.192988   4.261874   3.492749   4.629894   5.062205
    25  H    3.979122   5.572044   4.917182   5.579402   6.489060
    26  C    3.638384   5.420392   6.152377   4.309706   5.844790
    27  O    4.100538   5.794526   6.675642   4.752932   5.994833
    28  N    3.280612   5.755383   6.253285   4.803531   6.303412
    29  H    3.997487   5.115492   5.847072   3.865367   5.641948
    30  C    3.641992   5.876261   6.140499   4.947290   6.634326
    31  H    4.655772   6.966696   7.197360   6.016747   7.735080
    32  H    3.153312   5.626917   5.698998   4.916074   6.429810
    33  H    3.915412   5.456098   5.747523   4.410779   6.281224
    34  C    3.539893   6.586028   7.035394   5.822605   7.018280
    35  H    4.635930   7.634752   8.090079   6.801926   8.077535
    36  H    3.478692   6.463592   7.033081   5.767592   6.726544
    37  H    3.247441   6.559686   6.827865   5.967183   7.050436
    38  C    3.490592   4.979249   5.306438   5.439048   4.624117
    39  O    3.827132   4.322816   4.662729   5.004672   3.785258
    40  N    3.285870   5.272669   5.806068   5.394735   4.975488
    41  H    3.879061   5.707039   5.836302   6.221142   5.464902
    42  C    3.488698   4.895417   5.706826   4.791144   4.496249
    43  H    3.345615   3.960820   4.844038   3.969887   3.453106
    44  H    4.589752   5.754744   6.628691   5.657814   5.213818
    45  H    3.238750   5.046058   5.891650   4.655779   4.838819
    46  C    3.690871   6.381417   6.833531   6.349117   6.243722
    47  H    4.049467   6.826580   7.101705   6.940886   6.731152
    48  H    3.169675   6.210518   6.665554   5.986862   6.239503
    49  H    4.668630   7.216573   7.769924   7.117292   6.986771
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098927   0.000000
     8  H    1.102650   1.797596   0.000000
     9  H    1.102189   1.795507   1.794368   0.000000
    10  C    2.489627   3.417757   2.780799   2.740513   0.000000
    11  H    2.623106   3.662887   2.470922   2.870206   1.101011
    12  H    3.392757   4.191130   3.647875   3.782393   1.097874
    13  H    2.915745   3.844793   3.385618   2.746612   1.102550
    14  C    7.164838   7.736573   6.644937   7.956881   5.882512
    15  O    7.634014   8.144139   6.979294   8.463279   6.669500
    16  N    6.887159   7.353257   6.545919   7.741522   5.586318
    17  H    7.188410   7.889516   6.687311   7.860541   5.624124
    18  C    7.160071   7.417991   6.849084   8.129255   6.267424
    19  H    6.538602   6.699059   6.361502   7.532281   5.774168
    20  H    8.197853   8.427429   7.929058   9.164315   7.225280
    21  H    7.196045   7.410942   6.748870   8.197910   6.593980
    22  C    6.708648   7.235653   6.568748   7.464201   5.027167
    23  H    7.642653   8.115066   7.576377   8.396496   5.927754
    24  H    5.867820   6.329830   5.852890   6.643345   4.279958
    25  H    6.742866   7.412701   6.571346   7.377357   4.798073
    26  C    3.879304   4.676956   2.884471   4.183547   4.002134
    27  O    3.992718   4.563100   2.907701   4.327961   4.788431
    28  N    4.736528   5.542050   3.809688   5.178676   4.291877
    29  H    3.485612   4.436810   2.687222   3.555327   3.355671
    30  C    5.229613   6.163023   4.514070   5.575722   4.042503
    31  H    6.253419   7.202048   5.508174   6.520462   5.041680
    32  H    5.447355   6.315714   4.824027   5.939427   4.034446
    33  H    4.731577   5.754650   4.166340   4.912334   3.325156
    34  C    5.731044   6.368161   4.740278   6.320181   5.495946
    35  H    6.639593   7.306480   5.619657   7.131132   6.384303
    36  H    5.493058   5.970460   4.455207   6.158457   5.716310
    37  H    6.117984   6.734732   5.223569   6.802816   5.596622
    38  C    5.540619   5.205198   5.213163   6.633630   6.317167
    39  O    5.152370   4.651081   5.067975   6.229317   6.070398
    40  N    5.230781   4.994700   4.664884   6.274341   6.189415
    41  H    6.472498   6.217441   6.120249   7.571694   6.957319
    42  C    4.270162   3.958814   3.658619   5.230852   5.709491
    43  H    3.477745   3.021573   3.101656   4.478273   5.065128
    44  H    4.953131   4.493847   4.370793   5.825006   6.654436
    45  H    4.050146   3.993397   3.209933   4.923318   5.359379
    46  C    6.202813   6.142466   5.460693   7.196379   6.897028
    47  H    6.979542   6.923751   6.306516   8.009900   7.433462
    48  H    5.863949   5.994681   5.018959   6.798102   6.333567
    49  H    6.781197   6.653903   5.984716   7.721524   7.717396
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796061   0.000000
    13  H    1.791948   1.797630   0.000000
    14  C    5.497434   5.254010   6.818970   0.000000
    15  O    6.163611   6.177498   7.648870   1.242956   0.000000
    16  N    5.451570   4.822213   6.541902   1.360666   2.315213
    17  H    5.189365   4.979976   6.450342   1.108201   2.057883
    18  C    6.223010   5.568272   7.288044   2.468873   2.862739
    19  H    5.887636   5.085525   6.787447   3.268709   3.774913
    20  H    7.235037   6.450257   8.210892   3.080148   3.417892
    21  H    6.410460   6.042012   7.662294   2.575077   2.478158
    22  C    5.111166   4.080359   5.850682   2.465803   3.635475
    23  H    6.113629   4.917819   6.685329   3.178557   4.281165
    24  H    4.535312   3.324921   5.122098   3.191325   4.274952
    25  H    4.784904   3.856119   5.514142   2.548811   3.790933
    26  C    2.966935   4.595077   4.616570   5.642375   5.721350
    27  O    3.865993   5.470900   5.409031   6.400622   6.309478
    28  N    3.261800   4.576140   5.026563   4.468193   4.511285
    29  H    2.309302   4.074566   3.768722   6.078524   6.353885
    30  C    3.073106   4.099557   4.664198   4.046577   4.391260
    31  H    4.069594   5.077220   5.555778   4.432391   4.657723
    32  H    3.257537   3.811189   4.782712   3.013114   3.527810
    33  H    2.358797   3.497967   3.765291   4.775311   5.295028
    34  C    4.549697   5.656585   6.339803   4.138612   3.783021
    35  H    5.377180   6.571154   7.145246   4.774587   4.289470
    36  H    4.833870   5.969800   6.606209   4.689317   4.231693
    37  H    4.761233   5.543645   6.512120   3.097379   2.685517
    38  C    6.282128   6.259705   7.352157   5.744348   5.626729
    39  O    6.233361   6.035686   7.028969   6.434805   6.513214
    40  N    5.936010   6.296337   7.221149   5.675553   5.394151
    41  H    6.908205   6.753781   8.023951   5.408829   5.204891
    42  C    5.416858   6.065929   6.639755   6.449642   6.263724
    43  H    4.953113   5.451176   5.947715   6.642704   6.657116
    44  H    6.358486   7.083443   7.525808   7.458244   7.177432
    45  H    4.874346   5.790241   6.271229   6.104223   5.886337
    46  C    6.459488   6.949595   7.954042   5.235435   4.657284
    47  H    7.059226   7.333447   8.521094   4.958807   4.307020
    48  H    5.767678   6.399588   7.378207   4.562578   3.975191
    49  H    7.222739   7.869378   8.739208   6.194104   5.502954
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056949   0.000000
    18  C    1.464978   3.417381   0.000000
    19  H    2.098412   4.090296   1.101653   0.000000
    20  H    2.121923   3.987224   1.102815   1.791304   0.000000
    21  H    2.102525   3.653112   1.097635   1.797451   1.797472
    22  C    1.463119   2.560726   2.491206   2.610318   2.935334
    23  H    2.115468   3.309219   2.797687   2.930441   2.824312
    24  H    2.106730   3.344848   2.733108   2.395364   3.339516
    25  H    2.104159   2.153636   3.417918   3.631184   3.889866
    26  C    6.144867   5.479550   6.792592   6.764761   7.867375
    27  O    6.868552   6.399883   7.305491   7.230889   8.391134
    28  N    5.156073   4.259047   5.932522   6.090647   6.958255
    29  H    6.476994   5.774712   7.233053   7.120588   8.300861
    30  C    4.768247   3.500942   5.842868   6.065406   6.787875
    31  H    5.359953   3.756025   6.511079   6.869615   7.381284
    32  H    3.703346   2.449277   4.856218   5.137089   5.759436
    33  H    5.288075   4.162380   6.384433   6.457370   7.339775
    34  C    5.006657   4.177927   5.598531   5.932775   6.567465
    35  H    5.807953   4.710122   6.459031   6.895899   7.362672
    36  H    5.389343   4.931392   5.716947   5.945620   6.712669
    37  H    4.049640   3.238257   4.672999   5.136366   5.587601
    38  C    5.221761   6.588075   4.323771   3.773877   5.087948
    39  O    5.730816   7.197867   4.869087   4.080237   5.601088
    40  N    5.462386   6.445518   4.813236   4.476820   5.697501
    41  H    4.853733   6.365162   3.743855   3.329924   4.352982
    42  C    6.310090   7.043179   5.898103   5.483897   6.871111
    43  H    6.332518   7.172063   5.956401   5.369579   6.936868
    44  H    7.348161   8.077132   6.855343   6.446926   7.782743
    45  H    6.169935   6.582412   5.990561   5.714301   7.022692
    46  C    5.317437   6.055150   4.727936   4.729290   5.556919
    47  H    4.966963   5.905782   4.171884   4.285527   4.851383
    48  H    4.856246   5.268144   4.565845   4.692398   5.482510
    49  H    6.372986   6.986988   5.784872   5.811608   6.567601
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389121   0.000000
    23  H    3.831340   1.102284   0.000000
    24  H    3.604279   1.102472   1.789367   0.000000
    25  H    4.177045   1.098878   1.797378   1.795654   0.000000
    26  C    6.503434   6.481169   7.583397   6.213999   6.195574
    27  O    6.876650   7.339272   8.434235   7.013671   7.183562
    28  N    5.641325   5.612591   6.701929   5.549699   5.274597
    29  H    7.095597   6.568623   7.655574   6.225446   6.182920
    30  C    5.781296   4.963846   6.012379   5.033324   4.380556
    31  H    6.412945   5.610525   6.596338   5.843301   4.920107
    32  H    4.889231   3.908365   4.945581   4.082098   3.346082
    33  H    6.449623   5.202794   6.236199   5.117703   4.552575
    34  C    5.073359   5.818568   6.854864   5.905794   5.630838
    35  H    5.895908   6.648714   7.653792   6.841866   6.367342
    36  H    5.066311   6.278757   7.308287   6.240852   6.253448
    37  H    4.162427   4.983223   5.968808   5.204608   4.850516
    38  C    3.826128   5.952147   6.582335   5.415473   6.710105
    39  O    4.616195   6.190206   6.768319   5.468068   6.968521
    40  N    4.140351   6.312196   7.093370   5.862429   6.904236
    41  H    3.161665   5.728430   6.239509   5.343210   6.573694
    42  C    5.331564   6.981509   7.863182   6.417286   7.428969
    43  H    5.576542   6.786685   7.647276   6.077431   7.242422
    44  H    6.221270   8.062142   8.924001   7.498044   8.525392
    45  H    5.404881   6.860608   7.826911   6.383028   7.159473
    46  C    3.819404   6.423034   7.208557   6.216570   6.948923
    47  H    3.176760   6.179915   6.841548   6.078657   6.809640
    48  H    3.695948   5.961268   6.837160   5.835688   6.338508
    49  H    4.831344   7.505965   8.296643   7.309408   7.998710
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242772   0.000000
    28  N    1.361033   2.315583   0.000000
    29  H    1.107803   2.056831   2.057455   0.000000
    30  C    2.466366   3.635624   1.463014   2.563225   0.000000
    31  H    3.140780   4.233093   2.115440   3.267596   1.102936
    32  H    3.229408   4.321808   2.109446   3.389925   1.102215
    33  H    2.554417   3.796893   2.103842   2.163328   1.098580
    34  C    2.463229   2.853192   1.465254   3.414137   2.496028
    35  H    3.028541   3.336574   2.122451   3.942007   2.944239
    36  H    2.583166   2.495968   2.100341   3.658877   3.390081
    37  H    3.291630   3.804639   2.099471   4.116507   2.618124
    38  C    6.206475   5.990061   6.119499   6.804127   6.908330
    39  O    6.609092   6.418111   6.679928   7.040682   7.391163
    40  N    5.276432   4.900794   5.260499   6.007140   6.258898
    41  H    6.818038   6.690073   6.526117   7.464982   7.212962
    42  C    4.608647   4.023479   4.963540   5.265132   6.104626
    43  H    4.726393   4.277667   5.193048   5.170712   6.189822
    44  H    5.333543   4.544957   5.801216   6.013612   7.035324
    45  H    3.612177   2.968806   4.009958   4.363994   5.254721
    46  C    5.292581   4.928672   5.021990   6.197048   6.059549
    47  H    6.109636   5.881146   5.654709   6.991684   6.523628
    48  H    4.390096   4.144767   3.992779   5.338894   5.038477
    49  H    5.717511   5.143517   5.568077   6.685853   6.741760
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.786783   0.000000
    33  H    1.798886   1.794545   0.000000
    34  C    2.803348   2.741808   3.420844   0.000000
    35  H    2.835766   3.351864   3.896444   1.103486   0.000000
    36  H    3.834704   3.610495   4.174709   1.097202   1.796390
    37  H    2.936388   2.409593   3.638237   1.099608   1.790352
    38  C    7.824788   6.464813   7.296299   5.781128   6.764902
    39  O    8.388145   6.963949   7.610631   6.580254   7.616099
    40  N    7.115354   5.984289   6.717464   4.812963   5.733158
    41  H    8.060986   6.642691   7.705780   6.023715   6.961464
    42  C    6.997585   6.064251   6.404104   4.784055   5.682545
    43  H    7.174251   6.127742   6.317069   5.293127   6.266438
    44  H    7.879930   7.069660   7.337659   5.542242   6.332963
    45  H    6.091190   5.348489   5.590419   3.847529   4.702200
    46  C    6.746120   5.778534   6.728490   4.191955   4.955664
    47  H    7.170015   6.079744   7.251490   4.741116   5.474131
    48  H    5.675536   4.809531   5.768181   3.094107   3.872731
    49  H    7.354969   6.585650   7.428112   4.642323   5.244173
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796574   0.000000
    38  C    5.116328   5.521965   0.000000
    39  O    5.954472   6.375934   1.242588   0.000000
    40  N    4.003495   4.735996   1.361010   2.313290   0.000000
    41  H    5.441762   5.585889   1.108945   2.058356   2.059741
    42  C    3.894201   5.015842   2.468190   2.857556   1.465243
    43  H    4.537799   5.500579   2.578556   2.480632   2.104278
    44  H    4.553678   5.863758   3.068558   3.393726   2.120063
    45  H    2.937474   4.241626   3.273382   3.779512   2.098560
    46  C    3.367676   4.034008   2.467783   3.635164   1.464095
    47  H    4.079112   4.342736   2.554792   3.796916   2.106721
    48  H    2.319641   2.960855   3.160400   4.239812   2.108480
    49  H    3.687867   4.654613   3.209134   4.309173   2.112877
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419064   0.000000
    43  H    3.655297   1.098517   0.000000
    44  H    3.983458   1.102738   1.797925   0.000000
    45  H    4.094845   1.100966   1.796998   1.792197   0.000000
    46  C    2.566645   2.491273   3.381335   2.961622   2.590470
    47  H    2.163709   3.420182   4.180112   3.892614   3.631373
    48  H    3.303463   2.759538   3.593416   3.414621   2.419873
    49  H    3.359100   2.767905   3.810138   2.834255   2.841727
                   46         47         48         49
    46  C    0.000000
    47  H    1.098424   0.000000
    48  H    1.102854   1.793733   0.000000
    49  H    1.101849   1.796931   1.791325   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143500      0.1945253      0.1845091
 Leave Link  202 at Mon Nov 14 03:12:00 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1506407273 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842593063 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9663814210 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4032
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.19D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     227
 GePol: Fraction of low-weight points (<1% of avg)   =       5.63%
 GePol: Cavity surface area                          =    467.635 Ang**2
 GePol: Cavity volume                                =    457.904 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040095416 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9623718793 Hartrees.
 Leave Link  301 at Mon Nov 14 03:12:00 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37509.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.42D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:12:01 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:12:02 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.004904    0.001818    0.000178
         Rot=    1.000000   -0.000117    0.000455   -0.000387 Ang=  -0.07 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50884167536    
 Leave Link  401 at Mon Nov 14 03:12:08 2016, MaxMem=  2952790016 cpu:        79.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48771072.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.07D-14 for   1439.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.09D-14 for   3518   2846.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for    286.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.33D-09 for   1984   1953.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.18D-14 for   1956.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.46D-14 for   1365     27.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   3627.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.31D-15 for   2420    152.
 E= -1013.45038790438    
 DIIS: error= 6.83D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45038790438     IErMin= 1 ErrMin= 6.83D-04
 ErrMax= 6.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-04 BMatP= 5.71D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.83D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.34D-04 MaxDP=6.11D-03              OVMax= 7.76D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.34D-04    CP:  1.00D+00
 E= -1013.45131980652     Delta-E=       -0.000931902146 Rises=F Damp=F
 DIIS: error= 1.04D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45131980652     IErMin= 2 ErrMin= 1.04D-04
 ErrMax= 1.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-05 BMatP= 5.71D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.04D-03
 Coeff-Com:  0.259D-01 0.974D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.258D-01 0.974D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.58D-05 MaxDP=1.04D-03 DE=-9.32D-04 OVMax= 1.63D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.43D-05    CP:  1.00D+00  9.37D-01
 E= -1013.45129976542     Delta-E=        0.000020041101 Rises=F Damp=F
 DIIS: error= 1.71D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45131980652     IErMin= 2 ErrMin= 1.04D-04
 ErrMax= 1.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-05 BMatP= 1.26D-05
 IDIUse=3 WtCom= 4.33D-01 WtEn= 5.67D-01
 Coeff-Com:  0.206D-02 0.646D+00 0.352D+00
 Coeff-En:   0.000D+00 0.716D+00 0.284D+00
 Coeff:      0.893D-03 0.685D+00 0.314D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.61D-05 MaxDP=9.58D-04 DE= 2.00D-05 OVMax= 1.60D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.66D-06    CP:  1.00D+00  9.55D-01  4.53D-01
 E= -1013.45132910316     Delta-E=       -0.000029337736 Rises=F Damp=F
 DIIS: error= 6.50D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45132910316     IErMin= 4 ErrMin= 6.50D-05
 ErrMax= 6.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-06 BMatP= 1.26D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.162D-03 0.304D+00 0.193D+00 0.503D+00
 Coeff:     -0.162D-03 0.304D+00 0.193D+00 0.503D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.31D-06 MaxDP=2.61D-04 DE=-2.93D-05 OVMax= 5.30D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.97D-06    CP:  1.00D+00  9.63D-01  4.49D-01  5.08D-01
 E= -1013.45133020420     Delta-E=       -0.000001101039 Rises=F Damp=F
 DIIS: error= 5.31D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45133020420     IErMin= 5 ErrMin= 5.31D-05
 ErrMax= 5.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.08D-07 BMatP= 1.84D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-04 0.161D+00 0.108D+00 0.371D+00 0.360D+00
 Coeff:     -0.170D-04 0.161D+00 0.108D+00 0.371D+00 0.360D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.89D-06 MaxDP=1.10D-04 DE=-1.10D-06 OVMax= 1.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.49D-07    CP:  1.00D+00  9.64D-01  4.31D-01  5.47D-01  4.68D-01
 E= -1013.45133074048     Delta-E=       -0.000000536284 Rises=F Damp=F
 DIIS: error= 1.09D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45133074048     IErMin= 6 ErrMin= 1.09D-06
 ErrMax= 1.09D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-09 BMatP= 6.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.229D-04 0.397D-01 0.272D-01 0.991D-01 0.111D+00 0.723D+00
 Coeff:     -0.229D-04 0.397D-01 0.272D-01 0.991D-01 0.111D+00 0.723D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=7.00D-06 DE=-5.36D-07 OVMax= 6.61D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.42D-07    CP:  1.00D+00  9.64D-01  4.32D-01  5.53D-01  4.73D-01
                    CP:  9.21D-01
 E= -1013.45133074157     Delta-E=       -0.000000001093 Rises=F Damp=F
 DIIS: error= 4.29D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45133074157     IErMin= 7 ErrMin= 4.29D-07
 ErrMax= 4.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-10 BMatP= 1.40D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-04 0.109D-01 0.774D-02 0.291D-01 0.362D-01 0.379D+00
 Coeff-Com:  0.537D+00
 Coeff:     -0.142D-04 0.109D-01 0.774D-02 0.291D-01 0.362D-01 0.379D+00
 Coeff:      0.537D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.71D-08 MaxDP=3.57D-06 DE=-1.09D-09 OVMax= 2.92D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.17D-08    CP:  1.00D+00  9.64D-01  4.32D-01  5.52D-01  4.74D-01
                    CP:  9.29D-01  7.31D-01
 E= -1013.45133074189     Delta-E=       -0.000000000321 Rises=F Damp=F
 DIIS: error= 1.08D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45133074189     IErMin= 8 ErrMin= 1.08D-07
 ErrMax= 1.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-11 BMatP= 3.34D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.466D-05 0.174D-02 0.134D-02 0.514D-02 0.734D-02 0.110D+00
 Coeff-Com:  0.241D+00 0.634D+00
 Coeff:     -0.466D-05 0.174D-02 0.134D-02 0.514D-02 0.734D-02 0.110D+00
 Coeff:      0.241D+00 0.634D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.99D-08 MaxDP=9.39D-07 DE=-3.21D-10 OVMax= 1.41D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.59D-08    CP:  1.00D+00  9.64D-01  4.32D-01  5.52D-01  4.74D-01
                    CP:  9.34D-01  7.46D-01  7.35D-01
 E= -1013.45133074186     Delta-E=        0.000000000031 Rises=F Damp=F
 DIIS: error= 1.37D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45133074189     IErMin= 8 ErrMin= 1.08D-07
 ErrMax= 1.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-11 BMatP= 1.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.243D-05 0.439D-03 0.397D-03 0.155D-02 0.268D-02 0.535D-01
 Coeff-Com:  0.142D+00 0.494D+00 0.305D+00
 Coeff:     -0.243D-05 0.439D-03 0.397D-03 0.155D-02 0.268D-02 0.535D-01
 Coeff:      0.142D+00 0.494D+00 0.305D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.96D-09 MaxDP=5.90D-07 DE= 3.14D-11 OVMax= 9.31D-07

 Error on total polarization charges =  0.04314
 SCF Done:  E(RB97D) =  -1013.45133074     A.U. after    9 cycles
            NFock=  9  Conv=0.10D-07     -V/T= 2.0213
 KE= 9.923523883657D+02 PE=-6.029458333259D+03 EE= 2.174692242272D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:14:00 2016, MaxMem=  2952790016 cpu:      1278.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37509.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 03:14:08 2016, MaxMem=  2952790016 cpu:        99.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:14:08 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:14:45 2016, MaxMem=  2952790016 cpu:       441.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.20358970D+00-2.59125489D+00 3.31663333D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000178957    0.000257421   -0.000220501
      2        6          -0.000067882    0.000456576    0.000188447
      3        8           0.000077815   -0.000413986    0.000172258
      4        7          -0.000140028    0.000010110   -0.000174898
      5        1          -0.000037534    0.000074794   -0.000254216
      6        6          -0.000112141   -0.000348969    0.000408283
      7        1           0.000064534   -0.000028726    0.000117570
      8        1           0.000102618    0.000396291   -0.000423767
      9        1           0.000147120    0.000108049    0.000272743
     10        6          -0.000102427    0.000083880   -0.000124211
     11        1          -0.000065106   -0.000098963    0.000048686
     12        1           0.000064600   -0.000050315   -0.000082729
     13        1           0.000070554    0.000034400    0.000028580
     14        6           0.000022675    0.000057176    0.000006675
     15        8           0.000017232   -0.000102398    0.000070376
     16        7          -0.000009910    0.000053493   -0.000169039
     17        1           0.000027860   -0.000002824   -0.000037262
     18        6          -0.000066087    0.000112730   -0.000076052
     19        1           0.000007309    0.000029300    0.000018405
     20        1           0.000007940   -0.000012358   -0.000073146
     21        1          -0.000080838   -0.000144830   -0.000059703
     22        6           0.000129261    0.000073321   -0.000023254
     23        1           0.000008407   -0.000061372    0.000011657
     24        1           0.000138099    0.000030478   -0.000078698
     25        1           0.000015874    0.000051521   -0.000067685
     26        6          -0.000120643    0.000119890   -0.000153485
     27        8           0.000048865   -0.000176841    0.000208175
     28        7           0.000008336    0.000095833    0.000091966
     29        1          -0.000001161   -0.000133918    0.000021181
     30        6           0.000036795   -0.000167568    0.000129555
     31        1           0.000139171    0.000036420   -0.000061514
     32        1          -0.000015343    0.000038724    0.000052552
     33        1          -0.000083283    0.000023797    0.000026746
     34        6           0.000082147    0.000011496   -0.000065026
     35        1          -0.000041368   -0.000003834    0.000015957
     36        1          -0.000001001    0.000047315    0.000001824
     37        1          -0.000003670   -0.000022082    0.000001591
     38        6           0.000059174    0.000154863    0.000383577
     39        8          -0.000034228   -0.000149636   -0.000567108
     40        7          -0.000401828   -0.000956394    0.000503650
     41        1           0.000076174    0.000171072    0.000064462
     42        6           0.000183428   -0.000017110    0.000166557
     43        1           0.000075515    0.000193372    0.000351117
     44        1           0.000306279    0.000132817   -0.000177959
     45        1          -0.000396258    0.000100522   -0.000190797
     46        6          -0.000255235    0.000086576   -0.000540634
     47        1          -0.000221501    0.000033223    0.000019799
     48        1           0.000145485   -0.000132751    0.000183391
     49        1           0.000015248   -0.000050585    0.000055904
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000956394 RMS     0.000183793
 Leave Link  716 at Mon Nov 14 03:14:46 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000453580 RMS     0.000051791
 Search for a local minimum.
 Step number  68 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .51791D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   56   60   61   62   64
                                                     65   66   67   68
 DE= -2.67D-06 DEPred=-2.17D-05 R= 1.23D-01
 Trust test= 1.23D-01 RLast= 2.38D-01 DXMaxT set to 1.98D-01
 ITU=  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1
 ITU=  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00002   0.00003   0.00053   0.00115   0.00132
     Eigenvalues ---    0.00190   0.00203   0.00278   0.00365   0.00404
     Eigenvalues ---    0.00513   0.00580   0.00597   0.00689   0.00722
     Eigenvalues ---    0.00743   0.00790   0.00863   0.01005   0.01022
     Eigenvalues ---    0.01126   0.01166   0.01175   0.01287   0.01297
     Eigenvalues ---    0.01302   0.01417   0.01522   0.01565   0.01651
     Eigenvalues ---    0.01679   0.01745   0.01774   0.01819   0.01872
     Eigenvalues ---    0.01920   0.02009   0.02099   0.02149   0.02268
     Eigenvalues ---    0.02337   0.02363   0.02586   0.02998   0.03043
     Eigenvalues ---    0.03125   0.03822   0.04069   0.04289   0.04515
     Eigenvalues ---    0.04657   0.05260   0.05478   0.05653   0.05937
     Eigenvalues ---    0.06141   0.06309   0.06399   0.06550   0.06825
     Eigenvalues ---    0.06871   0.07246   0.07621   0.07940   0.08072
     Eigenvalues ---    0.08106   0.08152   0.08224   0.08389   0.08536
     Eigenvalues ---    0.08735   0.08924   0.08948   0.09182   0.09398
     Eigenvalues ---    0.09703   0.09767   0.09888   0.10029   0.10137
     Eigenvalues ---    0.10440   0.10487   0.10509   0.10798   0.10967
     Eigenvalues ---    0.11227   0.11239   0.11575   0.11892   0.13155
     Eigenvalues ---    0.13497   0.13986   0.14350   0.14787   0.15165
     Eigenvalues ---    0.15586   0.15756   0.20289   0.22193   0.22357
     Eigenvalues ---    0.23502   0.23660   0.24768   0.25384   0.25618
     Eigenvalues ---    0.26907   0.27389   0.28061   0.29225   0.29598
     Eigenvalues ---    0.29898   0.32385   0.32791   0.32817   0.32827
     Eigenvalues ---    0.32966   0.33293   0.33345   0.33373   0.33384
     Eigenvalues ---    0.33399   0.33424   0.33471   0.33512   0.33697
     Eigenvalues ---    0.33792   0.33816   0.33834   0.33921   0.33957
     Eigenvalues ---    0.34018   0.34107   0.35813   0.37327   0.38708
     Eigenvalues ---    0.40761   0.41248   0.85912   0.86093   0.86674
     Eigenvalues ---    0.88394
 Eigenvalue     1 is   1.50D-05 Eigenvector:
                         D389      D383      D375      D381      D397
   1                   -0.20677  -0.20476  -0.20369  -0.20281  -0.20117
                         D407      D373      D369      D371      D395
   1                   -0.20047  -0.20027  -0.19883  -0.19823  -0.19785
 Eigenvalue     2 is   2.82D-05 Eigenvector:
                          R4        D80       D82       D74       D72
   1                   -0.19620  -0.16543  -0.16402  -0.15291  -0.14992
                         D432      D433      D434       D62       D68
   1                   -0.14515  -0.14154  -0.14054  -0.13848  -0.13809
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    68   67   66   65   64
 RFO step:  Lambda=-6.40495405D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC= -1.21D-06 SmlDif=  1.00D-05
 RMS Error=  0.2035711805D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.37728   -0.18121    0.65479   -0.00988    0.15903
 Iteration  1 RMS(Cart)=  0.01286777 RMS(Int)=  0.00266394
 Iteration  2 RMS(Cart)=  0.00016886 RMS(Int)=  0.00004501
 Iteration  3 RMS(Cart)=  0.00000016 RMS(Int)=  0.00004501
 ITry= 1 IFail=0 DXMaxC= 1.48D-01 DCOld= 1.00D+10 DXMaxT= 1.98D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59653  -0.00004  -0.00224  -0.00465  -0.00689   6.58964
    R2        6.25942  -0.00005   0.00293  -0.00388  -0.00096   6.25847
    R3        7.25395  -0.00010   0.00696  -0.00439   0.00256   7.25651
    R4        6.35019   0.00026   0.00807  -0.00207   0.00602   6.35621
    R5        6.53382  -0.00002  -0.00595   0.00412  -0.00183   6.53198
    R6        6.00844  -0.00008  -0.01818   0.00490  -0.01328   5.99516
    R7        6.69317   0.00005   0.00293  -0.00147   0.00146   6.69463
    R8        6.23561  -0.00002  -0.00317   0.00052  -0.00267   6.23294
    R9        6.65966   0.00008  -0.00101  -0.00072  -0.00173   6.65793
   R10        6.08639   0.00001  -0.00687   0.00310  -0.00377   6.08262
   R11        6.96622  -0.00009  -0.00327  -0.00013  -0.00341   6.96280
   R12        6.03387  -0.00004  -0.00179  -0.00048  -0.00227   6.03161
   R13        6.87555  -0.00008  -0.00400   0.00340  -0.00059   6.87496
   R14        6.19946   0.00004  -0.00192  -0.00070  -0.00259   6.19687
   R15        6.88237   0.00004  -0.00350  -0.00246  -0.00592   6.87644
   R16        5.95890   0.00001   0.00270  -0.00294  -0.00025   5.95865
   R17        6.68943   0.00010  -0.00085  -0.00025  -0.00109   6.68834
   R18        6.59626   0.00000   0.04968  -0.01000   0.03969   6.63596
   R19        6.20939   0.00002   0.00065   0.00016   0.00097   6.21036
   R20        6.59268   0.00007   0.01168  -0.00221   0.00957   6.60225
   R21        6.12035  -0.00001  -0.03189  -0.00290  -0.03491   6.08544
   R22        6.97474  -0.00003  -0.02439   0.00820  -0.01594   6.95879
   R23        5.98982   0.00009  -0.01461   0.00472  -0.00998   5.97984
   R24        2.34926   0.00025   0.00033  -0.00016   0.00017   2.34943
   R25        2.57116   0.00000  -0.00003   0.00054   0.00050   2.57166
   R26        2.09494   0.00001  -0.00003  -0.00019  -0.00022   2.09473
   R27        2.76528   0.00010  -0.00033   0.00150   0.00119   2.76647
   R28        2.76815   0.00005   0.00006   0.00039   0.00044   2.76858
   R29        2.07667  -0.00007  -0.00004  -0.00007  -0.00011   2.07656
   R30        2.08371  -0.00034  -0.00091  -0.00237  -0.00325   2.08046
   R31        2.08283   0.00003   0.00003  -0.00007  -0.00004   2.08279
   R32        2.08061   0.00004   0.00021   0.00059   0.00083   2.08144
   R33        2.07468   0.00006  -0.00002   0.00006   0.00004   2.07472
   R34        2.08352   0.00002  -0.00002  -0.00002  -0.00003   2.08348
   R35        2.34885   0.00009   0.00000  -0.00004  -0.00003   2.34881
   R36        2.57129   0.00009   0.00017  -0.00022  -0.00003   2.57125
   R37        2.09420   0.00002  -0.00007   0.00001  -0.00006   2.09413
   R38        2.76841   0.00005   0.00010  -0.00001   0.00010   2.76851
   R39        2.76489  -0.00002   0.00004  -0.00024  -0.00017   2.76472
   R40        2.08182  -0.00003  -0.00006  -0.00077  -0.00082   2.08101
   R41        2.08402   0.00000  -0.00002  -0.00001  -0.00002   2.08400
   R42        2.07423  -0.00007   0.00002  -0.00001   0.00001   2.07424
   R43        2.08302   0.00004   0.00010  -0.00004   0.00006   2.08307
   R44        2.08337  -0.00003   0.00013  -0.00040  -0.00023   2.08314
   R45        2.07658  -0.00001   0.00006   0.00001   0.00007   2.07665
   R46        2.34850  -0.00006   0.00005  -0.00016  -0.00011   2.34839
   R47        2.57198  -0.00012  -0.00012  -0.00011  -0.00027   2.57171
   R48        2.09344   0.00001   0.00002   0.00002   0.00005   2.09349
   R49        2.76470   0.00003   0.00007  -0.00003   0.00000   2.76469
   R50        2.76893  -0.00009  -0.00013  -0.00010  -0.00026   2.76867
   R51        2.08425   0.00004   0.00007   0.00002   0.00009   2.08434
   R52        2.08288  -0.00001  -0.00032   0.00085   0.00040   2.08328
   R53        2.07601  -0.00004  -0.00001   0.00001   0.00000   2.07601
   R54        2.08529  -0.00002  -0.00004   0.00003  -0.00002   2.08527
   R55        2.07341   0.00004   0.00017  -0.00006   0.00012   2.07353
   R56        2.07796   0.00000   0.00010  -0.00001   0.00009   2.07805
   R57        2.34815   0.00042   0.00025  -0.00025  -0.00001   2.34815
   R58        2.57194  -0.00007   0.00014  -0.00007  -0.00020   2.57173
   R59        2.09560  -0.00017   0.00018  -0.00012   0.00006   2.09566
   R60        2.76891   0.00045  -0.00008   0.00119   0.00099   2.76989
   R61        2.76674  -0.00034  -0.00061  -0.00118  -0.00206   2.76468
   R62        2.07590  -0.00029  -0.00058  -0.00013  -0.00071   2.07519
   R63        2.08387  -0.00003   0.00009  -0.00017  -0.00008   2.08379
   R64        2.08052  -0.00035  -0.00075   0.00200   0.00113   2.08166
   R65        2.07572   0.00010   0.00023  -0.00010   0.00013   2.07586
   R66        2.08409   0.00018   0.00004  -0.00085  -0.00086   2.08323
   R67        2.08219   0.00004   0.00050   0.00000   0.00050   2.08270
    A1        0.68002   0.00003  -0.00037   0.00088   0.00051   0.68053
    A2        0.95706   0.00000  -0.00080   0.00072  -0.00008   0.95699
    A3        0.72677   0.00001   0.00046   0.00023   0.00068   0.72745
    A4        1.01780   0.00002   0.00090   0.00033   0.00123   1.01902
    A5        2.34786  -0.00001  -0.00299  -0.00133  -0.00431   2.34355
    A6        2.03254  -0.00002  -0.00516  -0.00152  -0.00669   2.02585
    A7        1.99262  -0.00003  -0.00780  -0.00138  -0.00920   1.98342
    A8        1.69918  -0.00002  -0.00779  -0.00144  -0.00925   1.68993
    A9        1.66069  -0.00002  -0.00407  -0.00136  -0.00545   1.65525
   A10        1.38048  -0.00002  -0.00475  -0.00135  -0.00613   1.37435
   A11        1.72724   0.00003   0.00338   0.00061   0.00400   1.73124
   A12        2.03123   0.00002   0.00390   0.00005   0.00396   2.03519
   A13        1.93601   0.00001   0.00371  -0.00079   0.00293   1.93894
   A14        2.01868   0.00002   0.00543  -0.00114   0.00430   2.02297
   A15        2.42651   0.00000   0.00371   0.00019   0.00391   2.43042
   A16        1.58817  -0.00002  -0.01607   0.00310  -0.01306   1.57512
   A17        1.78244   0.00004  -0.00884   0.00283  -0.00600   1.77644
   A18        1.55474   0.00002   0.00100   0.00207   0.00303   1.55777
   A19        1.69441  -0.00001   0.00242   0.00246   0.00490   1.69931
   A20        2.18807  -0.00001  -0.00649   0.00195  -0.00446   2.18361
   A21        2.40139   0.00003  -0.00346   0.00288  -0.00057   2.40082
   A22        0.64299   0.00000  -0.00067   0.00081   0.00014   0.64313
   A23        0.65748   0.00002   0.00091   0.00009   0.00100   0.65848
   A24        2.39528   0.00000  -0.00153  -0.00076  -0.00229   2.39299
   A25        2.22947  -0.00002  -0.00549  -0.00108  -0.00658   2.22289
   A26        2.33460  -0.00003  -0.00836  -0.00100  -0.00937   2.32523
   A27        2.07018  -0.00002  -0.00829  -0.00109  -0.00940   2.06079
   A28        1.82230  -0.00002  -0.00558  -0.00105  -0.00664   1.81567
   A29        1.58352  -0.00003  -0.00671  -0.00110  -0.00783   1.57569
   A30        1.33479   0.00002   0.00317   0.00010   0.00328   1.33807
   A31        1.63249   0.00002   0.00386  -0.00027   0.00360   1.63608
   A32        1.58074   0.00001   0.00405  -0.00072   0.00334   1.58408
   A33        1.72715   0.00002   0.00599  -0.00073   0.00526   1.73240
   A34        2.03029  -0.00001   0.00362  -0.00030   0.00333   2.03362
   A35        1.85246  -0.00002  -0.02004   0.00295  -0.01717   1.83529
   A36        1.91447   0.00005  -0.01110   0.00208  -0.00902   1.90545
   A37        1.56268   0.00000  -0.00405   0.00125  -0.00285   1.55983
   A38        1.58082   0.00000  -0.00173   0.00142  -0.00031   1.58051
   A39        2.26895   0.00001  -0.00364   0.00063  -0.00293   2.26602
   A40        2.35459   0.00003  -0.00010   0.00210   0.00202   2.35661
   A41        0.68887   0.00002  -0.00050   0.00024  -0.00025   0.68862
   A42        0.74378   0.00002   0.00056   0.00032   0.00089   0.74467
   A43        2.65652   0.00000  -0.00021  -0.00012  -0.00032   2.65620
   A44        2.60787   0.00000  -0.00601  -0.00055  -0.00656   2.60132
   A45        2.67078   0.00000  -0.00787  -0.00051  -0.00838   2.66240
   A46        2.36541   0.00001  -0.00731  -0.00054  -0.00786   2.35755
   A47        2.20115   0.00000  -0.00638  -0.00054  -0.00694   2.19422
   A48        1.96881  -0.00001  -0.00729  -0.00059  -0.00789   1.96092
   A49        1.08978   0.00000   0.00388   0.00024   0.00413   1.09391
   A50        1.44889  -0.00001   0.00431   0.00000   0.00431   1.45320
   A51        1.54754  -0.00001   0.00439  -0.00011   0.00428   1.55181
   A52        1.77863   0.00000   0.00588   0.00007   0.00593   1.78456
   A53        1.77755  -0.00004   0.00391  -0.00024   0.00367   1.78122
   A54        1.71229  -0.00001  -0.02208   0.00213  -0.02002   1.69228
   A55        1.64337   0.00005  -0.01125   0.00103  -0.01021   1.63316
   A56        1.24108  -0.00001  -0.00601   0.00043  -0.00565   1.23544
   A57        1.20815  -0.00002  -0.00219   0.00070  -0.00150   1.20665
   A58        1.93591   0.00001  -0.00145  -0.00045  -0.00184   1.93406
   A59        1.97650   0.00001   0.00105   0.00144   0.00249   1.97900
   A60        0.83978   0.00001  -0.00033   0.00126   0.00093   0.84071
   A61        0.77301   0.00002   0.00092   0.00173   0.00266   0.77566
   A62        2.59358   0.00001   0.00272   0.00143   0.00416   2.59773
   A63        2.77068  -0.00001  -0.00421   0.00092  -0.00329   2.76739
   A64        2.62330  -0.00002  -0.00692  -0.00113  -0.00805   2.61525
   A65        2.39988  -0.00003  -0.00653   0.00046  -0.00607   2.39381
   A66        2.20810  -0.00004  -0.00785   0.00005  -0.00781   2.20029
   A67        0.84610   0.00003   0.00466   0.00127   0.00595   0.85205
   A68        1.22174   0.00002   0.00502   0.00114   0.00617   1.22790
   A69        1.39921   0.00001   0.00516   0.00152   0.00667   1.40588
   A70        1.66700   0.00001   0.00630   0.00183   0.00810   1.67510
   A71        1.51391   0.00000   0.00445   0.00038   0.00484   1.51874
   A72        1.72921  -0.00001  -0.02267   0.00006  -0.02264   1.70656
   A73        1.55595   0.00005  -0.01162  -0.00097  -0.01257   1.54338
   A74        1.12651  -0.00001  -0.00936  -0.00133  -0.01075   1.11577
   A75        1.01536   0.00001  -0.00477  -0.00078  -0.00555   1.00981
   A76        1.76983   0.00003  -0.00005  -0.00211  -0.00211   1.76771
   A77        1.75257   0.00003   0.00194   0.00038   0.00234   1.75491
   A78        1.99605  -0.00001  -0.00093  -0.00048  -0.00141   1.99464
   A79        1.94610  -0.00002  -0.00494  -0.00071  -0.00565   1.94045
   A80        2.22897  -0.00003  -0.00764  -0.00068  -0.00833   2.22064
   A81        2.08803  -0.00001  -0.00837  -0.00096  -0.00935   2.07868
   A82        1.56015  -0.00003  -0.00619  -0.00078  -0.00698   1.55316
   A83        1.39637  -0.00004  -0.00775  -0.00089  -0.00866   1.38772
   A84        1.19750   0.00001   0.00164  -0.00069   0.00097   1.19847
   A85        1.38024   0.00001   0.00267  -0.00091   0.00178   1.38202
   A86        1.21059   0.00001   0.00312  -0.00112   0.00202   1.21261
   A87        1.31006   0.00001   0.00545  -0.00095   0.00452   1.31458
   A88        1.80665  -0.00001   0.00271  -0.00090   0.00182   1.80847
   A89        2.28265  -0.00001  -0.01908   0.00298  -0.01616   2.26649
   A90        2.32496   0.00006  -0.01149   0.00155  -0.00994   2.31502
   A91        1.92965   0.00000  -0.00684   0.00064  -0.00625   1.92340
   A92        1.85496   0.00001  -0.00539   0.00041  -0.00499   1.84997
   A93        2.60932   0.00003  -0.00060  -0.00076  -0.00128   2.60805
   A94        2.54341   0.00003   0.00319   0.00051   0.00374   2.54714
   A95        1.91345  -0.00002  -0.00055  -0.00043  -0.00098   1.91247
   A96        1.99946  -0.00003  -0.00463  -0.00072  -0.00535   1.99411
   A97        2.37856  -0.00003  -0.00659  -0.00074  -0.00733   2.37123
   A98        2.33563  -0.00001  -0.00818  -0.00115  -0.00933   2.32630
   A99        1.67444  -0.00004  -0.00685  -0.00091  -0.00776   1.66668
   A100       1.58382  -0.00005  -0.00841  -0.00107  -0.00948   1.57434
   A101       0.89100   0.00001   0.00137  -0.00066   0.00073   0.89173
   A102       1.05814   0.00001   0.00253  -0.00079   0.00175   1.05989
   A103       0.92547  -0.00001   0.00306  -0.00089   0.00217   0.92765
   A104       1.08056   0.00000   0.00516  -0.00060   0.00455   1.08511
   A105       1.48448  -0.00002   0.00255  -0.00080   0.00176   1.48625
   A106       2.45530   0.00001  -0.02138   0.00252  -0.01892   2.43637
   A107       2.32650   0.00007  -0.01064   0.00055  -0.01006   2.31644
   A108       1.89476   0.00000  -0.00944   0.00019  -0.00930   1.88545
   A109       1.72485   0.00003  -0.00744  -0.00009  -0.00754   1.71731
   A110       2.44436   0.00005   0.00339  -0.00173   0.00169   2.44605
   A111       2.27893   0.00002   0.00464   0.00000   0.00464   2.28357
   A112       0.71385   0.00001  -0.00006   0.00001  -0.00005   0.71380
   A113       1.00485   0.00001   0.00021  -0.00014   0.00008   1.00493
   A114       0.69515   0.00001   0.00013  -0.00005   0.00009   0.69524
   A115       0.98231   0.00001   0.00035  -0.00013   0.00025   0.98256
   A116       1.80789  -0.00002  -0.00069  -0.00051  -0.00121   1.80668
   A117       1.42646   0.00000  -0.00082  -0.00025  -0.00107   1.42539
   A118       1.19643   0.00000  -0.00207  -0.00018  -0.00225   1.19418
   A119       0.92690  -0.00001  -0.00373  -0.00036  -0.00408   0.92283
   A120       1.24829   0.00001   0.00058   0.00012   0.00069   1.24898
   A121       1.91176   0.00001   0.02195  -0.00194   0.02006   1.93182
   A122       1.96176  -0.00005   0.01243  -0.00113   0.01129   1.97305
   A123       2.32282   0.00000   0.00500  -0.00055   0.00451   2.32734
   A124       2.23970   0.00002   0.00089  -0.00109  -0.00020   2.23950
   A125       1.61833   0.00000   0.00545   0.00006   0.00546   1.62380
   A126       1.49168  -0.00003   0.00411  -0.00157   0.00253   1.49421
   A127       0.65486   0.00000   0.00060  -0.00023   0.00038   0.65524
   A128       0.66013   0.00000   0.00033  -0.00009   0.00026   0.66039
   A129       2.17460  -0.00001  -0.00230  -0.00073  -0.00303   2.17157
   A130       1.80073   0.00001  -0.00196  -0.00041  -0.00237   1.79836
   A131       1.51184   0.00000  -0.00386  -0.00058  -0.00443   1.50741
   A132       1.22176   0.00000  -0.00476  -0.00083  -0.00557   1.21620
   A133       1.64138   0.00003   0.00064   0.00021   0.00085   1.64223
   A134       1.75389   0.00001   0.02391  -0.00093   0.02302   1.77691
   A135       1.95621  -0.00005   0.01552   0.00005   0.01557   1.97178
   A136       2.38599   0.00002   0.01357   0.00041   0.01404   2.40003
   A137       2.46685   0.00002   0.00835  -0.00012   0.00825   2.47510
   A138       1.72596  -0.00001   0.00614   0.00126   0.00738   1.73334
   A139       1.69772  -0.00001   0.00520  -0.00093   0.00426   1.70199
   A140       0.70416   0.00001   0.00023   0.00016   0.00039   0.70455
   A141       0.83260   0.00001   0.00013   0.00020   0.00034   0.83294
   A142       2.49591   0.00000   0.00135  -0.00014   0.00122   2.49713
   A143       2.11709   0.00001   0.00056   0.00005   0.00061   2.11771
   A144       1.90646   0.00001  -0.00267  -0.00030  -0.00296   1.90349
   A145       1.62571   0.00001  -0.00429  -0.00061  -0.00487   1.62084
   A146       1.82992   0.00004   0.00323   0.00064   0.00387   1.83379
   A147       1.32826   0.00001   0.02380  -0.00084   0.02300   1.35125
   A148       1.56867  -0.00004   0.01589   0.00049   0.01638   1.58505
   A149       1.99840   0.00003   0.01596   0.00070   0.01670   2.01510
   A150       2.17549   0.00000   0.01395   0.00069   0.01465   2.19014
   A151       1.42852  -0.00001   0.00597   0.00198   0.00794   1.43646
   A152       1.49824   0.00000   0.00569  -0.00025   0.00544   1.50368
   A153       0.76384   0.00003   0.00107  -0.00017   0.00090   0.76474
   A154       0.76545   0.00003   0.00094  -0.00006   0.00088   0.76633
   A155       2.80877  -0.00001   0.00055  -0.00037   0.00017   2.80895
   A156       2.42683   0.00001   0.00006  -0.00018  -0.00011   2.42672
   A157       2.16590   0.00001  -0.00343  -0.00088  -0.00430   2.16160
   A158       1.87442   0.00001  -0.00420  -0.00116  -0.00533   1.86908
   A159       2.14021   0.00002   0.00333   0.00077   0.00411   2.14431
   A160       1.19197   0.00000   0.02169   0.00041   0.02212   1.21410
   A161       1.51746  -0.00004   0.01443   0.00167   0.01612   1.53358
   A162       1.91242   0.00002   0.01704   0.00151   0.01860   1.93101
   A163       2.17140  -0.00002   0.01570   0.00176   0.01748   2.18888
   A164       1.50219  -0.00004   0.00430   0.00296   0.00728   1.50947
   A165       1.64916  -0.00002   0.00464   0.00067   0.00532   1.65448
   A166       2.17224  -0.00003  -0.00621  -0.00153  -0.00773   2.16451
   A167       1.87087  -0.00001  -0.00481  -0.00119  -0.00599   1.86488
   A168       1.48826  -0.00001  -0.00598  -0.00137  -0.00733   1.48093
   A169       1.20769   0.00000  -0.00520  -0.00156  -0.00673   1.20097
   A170       1.87172   0.00001  -0.00154  -0.00043  -0.00195   1.86976
   A171       1.95535   0.00002   0.02247   0.00034   0.02286   1.97821
   A172       2.26278  -0.00003   0.01608   0.00101   0.01710   2.27988
   A173       2.67581   0.00005   0.01798   0.00130   0.01931   2.69512
   A174       2.11307   0.00000   0.00635   0.00168   0.00801   2.12108
   A175       2.10510  -0.00001   0.00542  -0.00094   0.00448   2.10958
   A176       2.28282  -0.00004  -0.00777  -0.00192  -0.00968   2.27314
   A177       2.05982  -0.00002  -0.00577  -0.00162  -0.00738   2.05245
   A178       1.65151  -0.00002  -0.00641  -0.00181  -0.00820   1.64330
   A179       1.39736  -0.00001  -0.00467  -0.00191  -0.00655   1.39081
   A180       2.13836   0.00000  -0.00200  -0.00073  -0.00271   2.13566
   A181       1.88777   0.00003   0.01864   0.00140   0.02008   1.90786
   A182       2.26198   0.00000   0.01415   0.00209   0.01628   2.27826
   A183       2.57651   0.00005   0.01678   0.00196   0.01879   2.59529
   A184       2.25121   0.00000   0.00577   0.00254   0.00833   2.25954
   A185       2.32187   0.00000   0.00580  -0.00039   0.00541   2.32728
   A186       0.69122  -0.00002   0.00036  -0.00017   0.00017   0.69139
   A187       0.98153  -0.00002   0.00055   0.00005   0.00056   0.98209
   A188       0.70002  -0.00003   0.00028  -0.00039  -0.00012   0.69990
   A189       2.11259   0.00001  -0.01118   0.00053  -0.01058   2.10201
   A190       1.73065   0.00004  -0.00498  -0.00039  -0.00537   1.72528
   A191       1.40582  -0.00002  -0.01093   0.00002  -0.01094   1.39488
   A192       1.10051   0.00004  -0.00929  -0.00031  -0.00963   1.09088
   A193       1.61367   0.00004   0.00509  -0.00144   0.00361   1.61728
   A194       1.39598   0.00001   0.00402   0.00045   0.00445   1.40043
   A195       0.66695  -0.00001  -0.00026   0.00034   0.00005   0.66700
   A196       2.25646   0.00000  -0.00376  -0.00058  -0.00421   2.25226
   A197       1.85831   0.00000  -0.00185  -0.00099  -0.00285   1.85546
   A198       1.64528  -0.00004  -0.01041  -0.00032  -0.01075   1.63452
   A199       1.32493   0.00003  -0.00911  -0.00075  -0.00990   1.31504
   A200       1.60530   0.00003   0.00586  -0.00146   0.00434   1.60964
   A201       1.33458  -0.00001   0.00436  -0.00010   0.00424   1.33882
   A202       0.70936  -0.00001   0.00026   0.00043   0.00068   0.71004
   A203       2.63863   0.00000   0.00097  -0.00089   0.00033   2.63896
   A204       2.25419   0.00000  -0.00042  -0.00093  -0.00136   2.25284
   A205       2.05510  -0.00003  -0.01032  -0.00015  -0.01051   2.04459
   A206       1.73509   0.00003  -0.00895  -0.00057  -0.00957   1.72553
   A207       1.94518   0.00003   0.00617  -0.00112   0.00498   1.95016
   A208       1.66081  -0.00001   0.00452  -0.00025   0.00424   1.66505
   A209       0.83664  -0.00002  -0.00134   0.00065  -0.00072   0.83592
   A210       2.67555  -0.00001   0.00966  -0.00185   0.00801   2.68356
   A211       2.38516  -0.00004   0.00088  -0.00111  -0.00026   2.38490
   A212       2.30009  -0.00005  -0.01061  -0.00003  -0.01069   2.28939
   A213       1.98249   0.00002  -0.00946  -0.00048  -0.01001   1.97247
   A214       2.00657   0.00001   0.00366  -0.00082   0.00275   2.00933
   A215       1.72860  -0.00003   0.00206  -0.00057   0.00145   1.73004
   A216       1.93083   0.00001   0.00232  -0.00146   0.00097   1.93179
   A217       1.56378  -0.00001   0.00098  -0.00156  -0.00061   1.56318
   A218       1.49726  -0.00003  -0.00842  -0.00084  -0.00927   1.48799
   A219       1.20430   0.00002  -0.00750  -0.00136  -0.00890   1.19540
   A220       1.23620   0.00004   0.00593  -0.00156   0.00430   1.24051
   A221       0.95269   0.00000   0.00430  -0.00060   0.00369   0.95637
   A222       0.72293   0.00003  -0.00353   0.00093  -0.00265   0.72028
   A223       1.01349  -0.00003  -0.00261   0.00092  -0.00170   1.01179
   A224       0.69943  -0.00002  -0.00085  -0.00017  -0.00105   0.69839
   A225       0.98450   0.00002   0.00057  -0.00084  -0.00025   0.98425
   A226       0.65476   0.00002   0.00174   0.00006   0.00178   0.65655
   A227       0.66450  -0.00001   0.00076  -0.00048   0.00025   0.66476
   A228       0.70658   0.00001   0.00136  -0.00067   0.00066   0.70724
   A229       0.84960   0.00001  -0.00267   0.00089  -0.00180   0.84781
   A230       0.75559   0.00002   0.00611  -0.00129   0.00478   0.76037
   A231       0.77414   0.00004   0.00137   0.00068   0.00199   0.77613
   A232       1.59980  -0.00022  -0.00945   0.00159  -0.00785   1.59195
   A233       1.85050   0.00016   0.00991  -0.00336   0.00654   1.85704
   A234       2.19204  -0.00011  -0.00114  -0.00062  -0.00174   2.19030
   A235       2.12895   0.00005  -0.00005   0.00006  -0.00003   2.12891
   A236       1.96175   0.00005   0.00122   0.00052   0.00176   1.96351
   A237       2.12324   0.00005   0.00050   0.00072   0.00123   2.12447
   A238       2.12665  -0.00001  -0.00005   0.00022   0.00017   2.12682
   A239       2.03286  -0.00005  -0.00057  -0.00089  -0.00146   2.03141
   A240       1.82972  -0.00002   0.00187   0.00602   0.00789   1.83762
   A241       2.54500   0.00000  -0.00200  -0.00674  -0.00875   2.53626
   A242       1.91378  -0.00005  -0.00001   0.00105   0.00103   1.91481
   A243       1.91554   0.00016   0.00039   0.00257   0.00297   1.91851
   A244       1.91437   0.00002   0.00118  -0.00396  -0.00278   1.91159
   A245       1.91066  -0.00004  -0.00061   0.00065   0.00004   1.91069
   A246       1.90797   0.00002   0.00010   0.00081   0.00091   1.90887
   A247       1.90143  -0.00010  -0.00106  -0.00114  -0.00219   1.89925
   A248       1.27076   0.00008   0.00443   0.00212   0.00655   1.27731
   A249       1.90257   0.00000   0.00101  -0.00032   0.00067   1.90324
   A250       1.90865   0.00003   0.00055  -0.00017   0.00040   1.90905
   A251       1.92933   0.00002  -0.00093  -0.00008  -0.00102   1.92831
   A252       1.91170   0.00000  -0.00037   0.00034  -0.00002   1.91168
   A253       1.89928  -0.00001  -0.00070   0.00006  -0.00064   1.89864
   A254       1.91219  -0.00004   0.00043   0.00018   0.00060   1.91279
   A255       1.71751   0.00009   0.00173   0.00057   0.00231   1.71982
   A256       1.76603  -0.00002   0.00063  -0.00148  -0.00085   1.76518
   A257       2.19025   0.00004   0.00038   0.00018   0.00056   2.19081
   A258       2.13014  -0.00003  -0.00010   0.00014   0.00004   2.13018
   A259       1.96257  -0.00002  -0.00027  -0.00032  -0.00059   1.96198
   A260       2.12491   0.00000   0.00007  -0.00040  -0.00032   2.12459
   A261       2.12283  -0.00003   0.00019  -0.00032  -0.00010   2.12273
   A262       2.03499   0.00002  -0.00018   0.00067   0.00047   2.03546
   A263       1.34330   0.00010   0.00419  -0.00235   0.00184   1.34514
   A264       1.90001   0.00000   0.00027   0.00022   0.00049   1.90050
   A265       1.93143   0.00000  -0.00010   0.00003  -0.00006   1.93137
   A266       1.90986   0.00002   0.00015  -0.00007   0.00008   1.90993
   A267       1.89713   0.00001   0.00003   0.00012   0.00015   1.89728
   A268       1.91337   0.00000  -0.00019  -0.00017  -0.00036   1.91302
   A269       1.91191  -0.00005  -0.00016  -0.00014  -0.00030   1.91161
   A270       2.66423   0.00002   0.00108  -0.00022   0.00086   2.66509
   A271       1.69910  -0.00001  -0.00104   0.00020  -0.00084   1.69826
   A272       1.92523  -0.00003  -0.00038  -0.00008  -0.00046   1.92477
   A273       1.91286   0.00003   0.00009   0.00005   0.00016   1.91303
   A274       1.91307   0.00003   0.00021   0.00011   0.00032   1.91339
   A275       1.89375   0.00001   0.00039  -0.00004   0.00034   1.89409
   A276       1.91085  -0.00001   0.00007  -0.00002   0.00005   1.91089
   A277       1.90789  -0.00003  -0.00039  -0.00002  -0.00041   1.90748
   A278       1.79744   0.00004   0.00156   0.00395   0.00549   1.80293
   A279       1.75984  -0.00005  -0.00207  -0.00195  -0.00401   1.75583
   A280       2.19059  -0.00003  -0.00030  -0.00034  -0.00064   2.18996
   A281       2.12918   0.00003   0.00071   0.00034   0.00106   2.13024
   A282       1.96331  -0.00001  -0.00040   0.00001  -0.00040   1.96292
   A283       2.12333  -0.00003  -0.00012  -0.00052  -0.00066   2.12267
   A284       2.11591   0.00000   0.00017  -0.00085  -0.00068   2.11524
   A285       2.04108   0.00003   0.00005   0.00127   0.00134   2.04242
   A286       2.68074   0.00011   0.00783   0.00115   0.00897   2.68971
   A287       1.67841  -0.00009  -0.00762  -0.00115  -0.00876   1.66965
   A288       1.92463   0.00003   0.00066   0.00105   0.00169   1.92631
   A289       1.91703  -0.00004  -0.00094   0.00020  -0.00080   1.91624
   A290       1.91307  -0.00004  -0.00038  -0.00043  -0.00080   1.91227
   A291       1.88925   0.00007   0.00102  -0.00011   0.00095   1.89020
   A292       1.91277  -0.00002  -0.00006  -0.00027  -0.00031   1.91245
   A293       1.90686   0.00000  -0.00029  -0.00045  -0.00073   1.90614
   A294       1.35894   0.00000  -0.00055  -0.00285  -0.00341   1.35553
   A295       1.14802   0.00001   0.00033   0.00210   0.00244   1.15046
   A296       1.93112   0.00002   0.00046   0.00057   0.00102   1.93214
   A297       1.90695   0.00001  -0.00021   0.00008  -0.00014   1.90681
   A298       1.90325  -0.00002  -0.00035  -0.00035  -0.00070   1.90255
   A299       1.90990  -0.00001  -0.00010  -0.00009  -0.00018   1.90971
   A300       1.89738   0.00000   0.00022   0.00021   0.00043   1.89781
   A301       1.91519   0.00001  -0.00003  -0.00042  -0.00045   1.91474
   A302       1.67690  -0.00018   0.02269  -0.00696   0.01570   1.69260
   A303       1.78334   0.00007  -0.00755   0.00697  -0.00058   1.78276
   A304       2.18705   0.00010   0.00257   0.00047   0.00290   2.18995
   A305       2.13043   0.00003  -0.00003  -0.00047  -0.00056   2.12987
   A306       1.96538  -0.00013  -0.00252   0.00007  -0.00226   1.96313
   A307       2.12315  -0.00012  -0.00007   0.00031   0.00032   2.12346
   A308       2.12403   0.00015  -0.00068   0.00054  -0.00020   2.12383
   A309       2.03370  -0.00003   0.00166  -0.00099   0.00077   2.03447
   A310       1.28177   0.00013   0.02491  -0.00365   0.02119   1.30296
   A311       3.07818  -0.00004  -0.02645   0.00220  -0.02423   3.05396
   A312       1.91104   0.00005  -0.00086  -0.00273  -0.00349   1.90755
   A313       1.92858   0.00003   0.00187  -0.00142   0.00084   1.92942
   A314       1.90060  -0.00001   0.00114  -0.00218  -0.00100   1.89960
   A315       1.91159  -0.00010  -0.00056   0.00220   0.00143   1.91302
   A316       1.91241   0.00001  -0.00081   0.00173   0.00081   1.91322
   A317       1.89948   0.00001  -0.00079   0.00244   0.00143   1.90092
   A318       1.76555   0.00007  -0.02198   0.01047  -0.01150   1.75404
   A319       1.91592   0.00000  -0.00131   0.00091  -0.00047   1.91546
   A320       1.91371   0.00009   0.00079   0.00021   0.00111   1.91483
   A321       1.92089   0.00002   0.00192  -0.00066   0.00123   1.92212
   A322       1.90497   0.00004   0.00001   0.00110   0.00113   1.90610
   A323       1.91129  -0.00005  -0.00017  -0.00084  -0.00100   1.91029
   A324       1.89686  -0.00010  -0.00126  -0.00073  -0.00203   1.89484
   A325       2.94968  -0.00004  -0.00860  -0.00066  -0.00927   2.94041
   A326       3.35511  -0.00003  -0.00164   0.00110  -0.00055   3.35455
   A327       3.07490  -0.00004  -0.00233   0.00111  -0.00123   3.07366
   A328       3.18295   0.00003   0.00486   0.00229   0.00715   3.19010
   A329       3.25521   0.00005   0.00403  -0.00249   0.00154   3.25674
   A330       3.26884  -0.00001  -0.00065  -0.00294  -0.00359   3.26525
   A331       3.67683   0.00002  -0.02214   0.00964  -0.01250   3.66434
   A332       3.21819   0.00000  -0.00336   0.00159  -0.00177   3.21642
   A333       2.96989  -0.00001   0.01569   0.00180   0.01750   2.98739
   A334       2.90147   0.00000   0.01749   0.00209   0.01959   2.92106
   A335       3.21958   0.00003   0.00517  -0.00214   0.00303   3.22262
   A336       3.08059   0.00001  -0.00105   0.00080  -0.00024   3.08034
   A337       3.10093   0.00000   0.00029   0.00102   0.00131   3.10224
   A338       3.04298  -0.00002  -0.00341   0.00041  -0.00301   3.03996
    D1        2.75608  -0.00003   0.00155  -0.00147   0.00008   2.75616
    D2       -1.36241  -0.00002   0.00023  -0.00160  -0.00136  -1.36377
    D3        2.77857  -0.00003   0.00266   0.00006   0.00271   2.78128
    D4       -1.33993  -0.00002   0.00134  -0.00007   0.00127  -1.33866
    D5        1.65972  -0.00004   0.00255  -0.00115   0.00138   1.66111
    D6       -2.45877  -0.00002   0.00122  -0.00128  -0.00006  -2.45883
    D7        1.84396  -0.00004   0.00169  -0.00179  -0.00010   1.84385
    D8       -2.27453  -0.00003   0.00037  -0.00192  -0.00155  -2.27608
    D9        0.32643  -0.00004  -0.00036  -0.00234  -0.00271   0.32373
   D10        2.49113  -0.00003  -0.00168  -0.00246  -0.00415   2.48698
   D11        0.03239  -0.00003   0.00441  -0.00181   0.00259   0.03498
   D12        2.19709  -0.00002   0.00308  -0.00193   0.00115   2.19824
   D13       -0.43963  -0.00003   0.00602  -0.00153   0.00448  -0.43515
   D14        1.72507  -0.00002   0.00470  -0.00165   0.00304   1.72810
   D15       -0.56105  -0.00003   0.00648  -0.00129   0.00518  -0.55587
   D16        1.60364  -0.00002   0.00516  -0.00141   0.00374   1.60738
   D17        0.20667  -0.00001   0.00722  -0.00158   0.00563   0.21230
   D18        2.37137   0.00000   0.00589  -0.00170   0.00419   2.37556
   D19        0.13826   0.00000   0.00902  -0.00129   0.00772   0.14597
   D20        2.30295   0.00001   0.00769  -0.00141   0.00628   2.30923
   D21        2.40775  -0.00004   0.00047  -0.00338  -0.00292   2.40484
   D22       -1.71074  -0.00003  -0.00086  -0.00350  -0.00436  -1.71510
   D23        2.16295  -0.00003   0.00047  -0.00372  -0.00325   2.15970
   D24       -1.95554  -0.00002  -0.00085  -0.00384  -0.00469  -1.96024
   D25        1.72329  -0.00003  -0.00051  -0.00361  -0.00412   1.71918
   D26       -2.39520  -0.00002  -0.00184  -0.00374  -0.00556  -2.40076
   D27        1.41741  -0.00003  -0.00107  -0.00387  -0.00490   1.41251
   D28       -2.70108  -0.00002  -0.00239  -0.00399  -0.00634  -2.70742
   D29        2.36906  -0.00002   0.00186  -0.00413  -0.00228   2.36678
   D30       -1.74943  -0.00001   0.00054  -0.00426  -0.00372  -1.75315
   D31       -1.75208  -0.00003  -0.01363  -0.00216  -0.01578  -1.76785
   D32        0.41262  -0.00002  -0.01495  -0.00229  -0.01722   0.39540
   D33       -2.10460   0.00001  -0.00570  -0.00305  -0.00876  -2.11335
   D34        0.06010   0.00002  -0.00703  -0.00318  -0.01020   0.04990
   D35       -2.47427  -0.00006  -0.01059  -0.00304  -0.01367  -2.48794
   D36       -0.30957  -0.00005  -0.01192  -0.00317  -0.01512  -0.32469
   D37       -2.76322   0.00000  -0.00847  -0.00337  -0.01187  -2.77509
   D38       -0.59852   0.00001  -0.00979  -0.00350  -0.01331  -0.61183
   D39       -2.13871   0.00003   0.00751  -0.00418   0.00334  -2.13537
   D40        0.02598   0.00004   0.00619  -0.00431   0.00190   0.02788
   D41       -2.39316   0.00000   0.00983  -0.00187   0.00799  -2.38517
   D42       -0.22847   0.00002   0.00851  -0.00200   0.00655  -0.22191
   D43        1.26290   0.00000  -0.00155  -0.00180  -0.00335   1.25955
   D44       -1.92012  -0.00002  -0.00242   0.00173  -0.00069  -1.92080
   D45        2.45690  -0.00003   0.00000  -0.00232  -0.00234   2.45456
   D46       -0.72612  -0.00005  -0.00087   0.00121   0.00032  -0.72580
   D47        2.94427  -0.00003  -0.00005  -0.00267  -0.00273   2.94154
   D48       -0.23875  -0.00005  -0.00093   0.00087  -0.00007  -0.23882
   D49        2.87917   0.00004  -0.00927  -0.00327  -0.01254   2.86663
   D50       -0.30385   0.00002  -0.01014   0.00027  -0.00988  -0.31373
   D51        2.05839   0.00002  -0.00269  -0.00275  -0.00547   2.05292
   D52       -1.12462   0.00000  -0.00357   0.00079  -0.00281  -1.12744
   D53        1.15390   0.00001   0.00860  -0.00187   0.00675   1.16065
   D54       -2.02912  -0.00001   0.00772   0.00166   0.00941  -2.01971
   D55        1.01308  -0.00001   0.00709  -0.00144   0.00566   1.01874
   D56       -2.16994  -0.00003   0.00622   0.00209   0.00832  -2.16162
   D57        2.02188   0.00003   0.00235  -0.00221   0.00012   2.02200
   D58       -1.16114   0.00001   0.00148   0.00133   0.00278  -1.15836
   D59        1.82476   0.00003   0.00405  -0.00192   0.00211   1.82688
   D60       -1.35825   0.00001   0.00317   0.00162   0.00477  -1.35348
   D61       -2.26883  -0.00001  -0.00172  -0.00387  -0.00559  -2.27442
   D62        0.83134  -0.00003  -0.00260  -0.00033  -0.00293   0.82841
   D63       -2.40749   0.00001  -0.00104  -0.00373  -0.00477  -2.41226
   D64        0.69268  -0.00001  -0.00192  -0.00020  -0.00211   0.69056
   D65       -2.80985   0.00001  -0.00116  -0.00393  -0.00507  -2.81492
   D66        0.29032  -0.00001  -0.00203  -0.00040  -0.00241   0.28791
   D67       -2.99046   0.00002  -0.00002  -0.00409  -0.00407  -2.99453
   D68        0.10971   0.00000  -0.00089  -0.00056  -0.00141   0.10830
   D69       -2.13433   0.00000  -0.00044  -0.00344  -0.00388  -2.13821
   D70        0.96584  -0.00002  -0.00132   0.00010  -0.00122   0.96462
   D71       -0.15911   0.00001  -0.00341  -0.00442  -0.00774  -0.16685
   D72        2.94106  -0.00002  -0.00428  -0.00088  -0.00508   2.93597
   D73       -0.55547   0.00001  -0.00158  -0.00484  -0.00641  -0.56188
   D74        2.54470  -0.00001  -0.00246  -0.00131  -0.00376   2.54095
   D75       -0.71523  -0.00002  -0.01279  -0.00414  -0.01693  -0.73217
   D76        2.38493  -0.00004  -0.01367  -0.00061  -0.01427   2.37066
   D77       -1.05419   0.00004  -0.01229  -0.00457  -0.01688  -1.07107
   D78        2.04598   0.00002  -0.01316  -0.00103  -0.01422   2.03176
   D79       -0.84631   0.00004   0.00708  -0.00525   0.00178  -0.84454
   D80        2.25385   0.00002   0.00621  -0.00171   0.00444   2.25829
   D81       -1.15107  -0.00001   0.00567  -0.00423   0.00144  -1.14963
   D82        1.94909  -0.00003   0.00480  -0.00069   0.00410   1.95319
   D83       -1.54040   0.00000   0.00272   0.00027   0.00300  -1.53739
   D84       -2.61616  -0.00004   0.00339  -0.00089   0.00251  -2.61365
   D85       -2.95493   0.00001   0.00406   0.00049   0.00456  -2.95037
   D86        0.73678  -0.00001  -0.00105  -0.00134  -0.00238   0.73440
   D87        0.31163  -0.00002   0.00021  -0.00125  -0.00104   0.31059
   D88       -0.06047  -0.00002  -0.00127  -0.00112  -0.00240  -0.06287
   D89       -0.40103  -0.00001   0.00107  -0.00074   0.00033  -0.40070
   D90        0.17803   0.00000   0.00352  -0.00095   0.00258   0.18061
   D91       -0.06061   0.00000   0.00414  -0.00079   0.00334  -0.05727
   D92        2.40728  -0.00002  -0.00084  -0.00205  -0.00287   2.40441
   D93        2.05679   0.00000  -0.00032  -0.00194  -0.00224   2.05455
   D94        1.66464   0.00000  -0.00049  -0.00214  -0.00260   1.66205
   D95        1.37543   0.00001   0.00031  -0.00244  -0.00206   1.37337
   D96        2.05593   0.00000   0.00056  -0.00164  -0.00106   2.05487
   D97       -1.90063   0.00000  -0.01284  -0.00205  -0.01495  -1.91558
   D98       -2.43888   0.00001  -0.00052  -0.00412  -0.00459  -2.44347
   D99       -2.64702  -0.00004  -0.00931  -0.00274  -0.01205  -2.65906
   D100      -2.97561   0.00003  -0.00759  -0.00321  -0.01081  -2.98642
   D101      -2.91685   0.00006   0.01697  -0.00611   0.01077  -2.90608
   D102       2.84335  -0.00004   0.01099  -0.00512   0.00585   2.84920
   D103      -2.92193   0.00002   0.01181   0.00111   0.01292  -2.90900
   D104       1.17663   0.00002   0.01111   0.00124   0.01235   1.18898
   D105       2.78735   0.00002   0.01331   0.00129   0.01461   2.80196
   D106       0.60272   0.00002   0.01261   0.00142   0.01404   0.61676
   D107       2.28321  -0.00004   0.01748   0.00139   0.01886   2.30208
   D108       0.09858  -0.00004   0.01677   0.00152   0.01829   0.11688
   D109       1.72963   0.00003   0.01574   0.00023   0.01597   1.74559
   D110      -0.45500   0.00003   0.01504   0.00036   0.01540  -0.43960
   D111       2.57325   0.00001   0.01101   0.00078   0.01180   2.58505
   D112       0.38862   0.00002   0.01031   0.00091   0.01123   0.39986
   D113       2.23643   0.00001   0.01084   0.00095   0.01179   2.24822
   D114       0.05180   0.00001   0.01013   0.00108   0.01122   0.06302
   D115      -1.61238  -0.00002   0.00029   0.00025   0.00054  -1.61183
   D116       2.48618  -0.00002  -0.00041   0.00038  -0.00003   2.48615
   D117      -1.77581   0.00000   0.00141  -0.00017   0.00123  -1.77458
   D118       2.32275   0.00001   0.00071  -0.00004   0.00066   2.32341
   D119      -2.73506  -0.00003  -0.00005  -0.00005  -0.00010  -2.73516
   D120       1.36349  -0.00002  -0.00075   0.00008  -0.00067   1.36282
   D121      -2.69925  -0.00003   0.00042  -0.00018   0.00024  -2.69901
   D122       1.39930  -0.00003  -0.00028  -0.00005  -0.00033   1.39898
   D123       1.30969   0.00001   0.00958   0.00180   0.01137   1.32106
   D124      -0.87494   0.00001   0.00887   0.00193   0.01080  -0.86414
   D125       1.28202   0.00000   0.00815   0.00180   0.00994   1.29196
   D126      -0.90261   0.00000   0.00744   0.00193   0.00937  -0.89324
   D127       1.63806   0.00000   0.00773   0.00208   0.00979   1.64785
   D128      -0.54657   0.00000   0.00703   0.00221   0.00922  -0.53735
   D129       1.76920  -0.00002   0.00464   0.00230   0.00691   1.77611
   D130      -0.41543  -0.00002   0.00393   0.00243   0.00634  -0.40909
   D131       0.88305   0.00001   0.00744   0.00162   0.00906   0.89211
   D132      -1.30158   0.00002   0.00674   0.00176   0.00849  -1.29309
   D133      -0.96693   0.00000   0.01001   0.00270   0.01268  -0.95425
   D134       3.13163   0.00000   0.00931   0.00283   0.01211  -3.13945
   D135      -0.54149  -0.00001   0.01101   0.00292   0.01395  -0.52754
   D136      -2.72611   0.00000   0.01031   0.00305   0.01338  -2.71273
   D137      -0.25578   0.00005   0.02431   0.00238   0.02668  -0.22910
   D138      -2.44041   0.00005   0.02360   0.00251   0.02611  -2.41430
   D139       0.15394  -0.00003   0.02206   0.00249   0.02457   0.17851
   D140      -2.03069  -0.00002   0.02135   0.00262   0.02400  -2.00669
   D141      -0.31677  -0.00003   0.00305   0.00330   0.00639  -0.31038
   D142      -2.50140  -0.00003   0.00234   0.00343   0.00582  -2.49558
   D143      -0.06112   0.00000   0.00425   0.00168   0.00594  -0.05518
   D144      -2.24575   0.00000   0.00354   0.00181   0.00537  -2.24038
   D145      -2.47676   0.00000   0.00258   0.00032   0.00290  -2.47386
   D146      -2.72850   0.00001   0.00270   0.00043   0.00314  -2.72536
   D147      -2.40171   0.00000  -0.00464   0.00040  -0.00427  -2.40599
   D148       2.99496   0.00001   0.00604   0.00084   0.00691   3.00187
   D149       2.60788   0.00001   0.00904   0.00121   0.01027   2.61816
   D150       1.52042  -0.00002  -0.00166   0.00084  -0.00082   1.51960
   D151       2.62144  -0.00002  -0.00155   0.00063  -0.00091   2.62053
   D152       2.99516  -0.00002  -0.00114   0.00040  -0.00073   2.99443
   D153       1.16096   0.00003   0.01324   0.00347   0.01669   1.17766
   D154       1.23309   0.00000   0.00747   0.00266   0.01012   1.24321
   D155       1.62771   0.00001   0.00546   0.00262   0.00807   1.63578
   D156       1.71198  -0.00002   0.00118   0.00241   0.00356   1.71553
   D157       0.88836   0.00001   0.00452   0.00202   0.00653   0.89489
   D158      -0.99750   0.00000  -0.00233   0.00383   0.00145  -0.99605
   D159      -0.67462   0.00002  -0.00077   0.00351   0.00277  -0.67185
   D160      -0.71972   0.00002   0.00805   0.00247   0.01052  -0.70921
   D161      -0.41169  -0.00005   0.01050   0.00320   0.01372  -0.39797
   D162      -0.29138  -0.00002  -0.00303   0.00317   0.00020  -0.29117
   D163      -0.01324   0.00002  -0.00139   0.00296   0.00157  -0.01167
   D164      -1.29424   0.00001   0.00588   0.00135   0.00723  -1.28701
   D165       1.65408   0.00001   0.00696   0.00089   0.00784   1.66192
   D166      -1.66529   0.00000   0.00544   0.00116   0.00659  -1.65870
   D167       1.28303   0.00001   0.00651   0.00070   0.00721   1.29023
   D168      -1.74370  -0.00003   0.00430   0.00109   0.00539  -1.73832
   D169       1.20461  -0.00003   0.00537   0.00063   0.00600   1.21062
   D170      -2.00541   0.00001   0.00636   0.00267   0.00903  -1.99638
   D171       0.94291   0.00001   0.00743   0.00221   0.00965   0.95256
   D172      -2.01492   0.00000   0.00584   0.00107   0.00691  -2.00800
   D173       0.93340   0.00000   0.00692   0.00061   0.00753   0.94093
   D174      -2.31720  -0.00001   0.00552   0.00115   0.00666  -2.31054
   D175       0.63112  -0.00001   0.00659   0.00069   0.00728   0.63840
   D176       1.98074  -0.00002  -0.00223   0.00068  -0.00155   1.97919
   D177      -1.35413  -0.00002  -0.00115   0.00022  -0.00094  -1.35506
   D178       0.83382  -0.00003  -0.00185   0.00076  -0.00110   0.83272
   D179      -2.50105  -0.00003  -0.00077   0.00030  -0.00048  -2.50153
   D180       0.36841   0.00000  -0.00116   0.00069  -0.00048   0.36793
   D181      -2.96645   0.00000  -0.00008   0.00023   0.00014  -2.96632
   D182      -3.11936   0.00000   0.00630   0.00200   0.00828  -3.11107
   D183      -0.17104   0.00000   0.00737   0.00154   0.00890  -0.16214
   D184       2.90044   0.00000   0.00462   0.00219   0.00679   2.90722
   D185      -0.43443   0.00000   0.00569   0.00173   0.00740  -0.42703
   D186       3.05805  -0.00001   0.00226   0.00216   0.00440   3.06245
   D187      -0.27682   0.00000   0.00334   0.00170   0.00502  -0.27180
   D188       2.97267  -0.00003  -0.00199   0.00194  -0.00008   2.97260
   D189      -0.36220  -0.00002  -0.00092   0.00148   0.00054  -0.36165
   D190       2.45369   0.00002   0.00504   0.00230   0.00733   2.46102
   D191      -0.88118   0.00002   0.00612   0.00184   0.00794  -0.87323
   D192       0.33189  -0.00001  -0.01104   0.00419  -0.00684   0.32505
   D193      -3.00298  -0.00001  -0.00996   0.00373  -0.00622  -3.00920
   D194       0.63266   0.00003  -0.00359   0.00436   0.00085   0.63350
   D195      -2.70221   0.00003  -0.00251   0.00390   0.00146  -2.70075
   D196       0.42048   0.00003   0.00668   0.00375   0.01039   0.43088
   D197      -2.91439   0.00003   0.00776   0.00329   0.01101  -2.90338
   D198       1.09901  -0.00003  -0.00231   0.00407   0.00183   1.10084
   D199      -2.23586  -0.00003  -0.00123   0.00361   0.00245  -2.23341
   D200       1.43137   0.00001   0.00083   0.00321   0.00403   1.43540
   D201      -1.90350   0.00001   0.00191   0.00275   0.00465  -1.89885
   D202       1.60859   0.00003  -0.00080   0.00343   0.00263   1.61122
   D203      -0.60284  -0.00001  -0.00133   0.00227   0.00093  -0.60190
   D204       1.68293   0.00002  -0.00152   0.00270   0.00116   1.68409
   D205      -0.52850  -0.00001  -0.00206   0.00154  -0.00053  -0.52903
   D206       1.36406   0.00001  -0.00093   0.00189   0.00095   1.36501
   D207      -0.84737  -0.00002  -0.00146   0.00072  -0.00075  -0.84811
   D208       1.20179   0.00002  -0.00121  -0.00010  -0.00130   1.20049
   D209      -1.00964  -0.00001  -0.00174  -0.00126  -0.00299  -1.01263
   D210       2.11540   0.00003  -0.00211   0.00239   0.00027   2.11567
   D211      -0.09603  -0.00001  -0.00265   0.00123  -0.00143  -0.09746
   D212       2.23314   0.00003  -0.00260   0.00216  -0.00046   2.23269
   D213       0.02171   0.00000  -0.00313   0.00100  -0.00215   0.01956
   D214      -2.22746   0.00002  -0.00272   0.00197  -0.00075  -2.22821
   D215       1.84430  -0.00001  -0.00325   0.00081  -0.00245   1.84185
   D216      -2.38738   0.00001  -0.00663   0.00127  -0.00536  -2.39274
   D217       1.68438  -0.00002  -0.00716   0.00011  -0.00706   1.67732
   D218      -1.98823   0.00000  -0.01246   0.00023  -0.01222  -2.00046
   D219       2.08352  -0.00004  -0.01300  -0.00093  -0.01392   2.06960
   D220      -2.08210   0.00001  -0.02375  -0.00334  -0.02707  -2.10917
   D221       1.98965  -0.00002  -0.02429  -0.00450  -0.02877   1.96089
   D222      -2.88355   0.00001  -0.00536   0.00170  -0.00367  -2.88722
   D223       1.18821  -0.00002  -0.00589   0.00054  -0.00537   1.18284
   D224       3.06228   0.00002  -0.00467   0.00206  -0.00264   3.05965
   D225       0.85086  -0.00002  -0.00520   0.00090  -0.00433   0.84653
   D226      -2.71773   0.00002   0.00084   0.00146   0.00230  -2.71543
   D227       1.35403  -0.00001   0.00031   0.00030   0.00060   1.35463
   D228      -2.66825   0.00004   0.00346   0.00163   0.00510  -2.66315
   D229       1.40350   0.00001   0.00293   0.00047   0.00341   1.40691
   D230      -1.57238   0.00004   0.00079   0.00265   0.00345  -1.56894
   D231       2.49937   0.00001   0.00026   0.00149   0.00175   2.50113
   D232      -0.07793   0.00003   0.01862  -0.00075   0.01802  -0.05991
   D233      -2.28936   0.00000   0.01809  -0.00191   0.01633  -2.27303
   D234      -0.20543  -0.00003   0.00866   0.00047   0.00911  -0.19633
   D235      -2.41686  -0.00006   0.00812  -0.00070   0.00741  -2.40945
   D236       0.08055   0.00002   0.00062   0.00141   0.00205   0.08260
   D237      -2.13088  -0.00002   0.00008   0.00025   0.00036  -2.13052
   D238      -0.02209   0.00005  -0.00063   0.00100   0.00035  -0.02174
   D239      -2.23352   0.00002  -0.00116  -0.00016  -0.00134  -2.23486
   D240      -0.59733   0.00003   0.00410   0.00165   0.00568  -0.59165
   D241      -2.80876   0.00000   0.00356   0.00049   0.00399  -2.80477
   D242      -0.78224   0.00000   0.00280   0.00054   0.00333  -0.77891
   D243      -2.99367  -0.00003   0.00226  -0.00062   0.00164  -2.99203
   D244      -2.93294   0.00002  -0.00175   0.00471   0.00295  -2.92999
   D245      -0.01067   0.00001  -0.00190   0.00184  -0.00007  -0.01074
   D246      -3.11963   0.00001  -0.00274   0.00375   0.00102  -3.11862
   D247      -0.19736   0.00001  -0.00288   0.00088  -0.00200  -0.19936
   D248       2.77966  -0.00001  -0.00219   0.00319   0.00100   2.78066
   D249      -0.58125  -0.00001  -0.00234   0.00032  -0.00202  -0.58327
   D250       2.54376   0.00002  -0.00212   0.00228   0.00018   2.54394
   D251      -0.81715   0.00002  -0.00227  -0.00059  -0.00284  -0.81999
   D252      -2.88782   0.00002  -0.00395   0.00299  -0.00095  -2.88877
   D253       0.03445   0.00002  -0.00409   0.00012  -0.00397   0.03048
   D254      -3.06151   0.00003  -0.00388   0.00265  -0.00121  -3.06272
   D255      -0.13924   0.00002  -0.00402  -0.00022  -0.00423  -0.14347
   D256      -0.64620   0.00000  -0.00605   0.00339  -0.00267  -0.64887
   D257       2.27607   0.00000  -0.00620   0.00051  -0.00569   2.27039
   D258      -0.88952  -0.00001  -0.00840   0.00273  -0.00567  -0.89518
   D259       2.03275  -0.00001  -0.00854  -0.00014  -0.00868   2.02407
   D260      -0.72160  -0.00001  -0.01111   0.00213  -0.00897  -0.73057
   D261       2.20067  -0.00001  -0.01125  -0.00074  -0.01199   2.18868
   D262      -0.92387   0.00001  -0.01185   0.00129  -0.01057  -0.93444
   D263       1.99840   0.00000  -0.01200  -0.00159  -0.01359   1.98481
   D264      -1.29729  -0.00001  -0.00864   0.00277  -0.00586  -1.30315
   D265       1.62498  -0.00001  -0.00878  -0.00010  -0.00888   1.61610
   D266      -1.53527  -0.00002  -0.00924   0.00258  -0.00668  -1.54194
   D267       1.38701  -0.00002  -0.00939  -0.00030  -0.00970   1.37731
   D268       1.98130   0.00000  -0.00284   0.00274  -0.00010   1.98119
   D269      -1.37962   0.00000  -0.00298  -0.00013  -0.00312  -1.38274
   D270       0.85944   0.00003  -0.00286   0.00363   0.00076   0.86020
   D271      -2.50147   0.00003  -0.00300   0.00076  -0.00225  -2.50373
   D272       0.95581   0.00002   0.03593  -0.00072   0.03525   0.99106
   D273      -2.40510   0.00002   0.03579  -0.00359   0.03223  -2.37287
   D274       1.13421  -0.00007   0.00876   0.00198   0.01072   1.14493
   D275      -2.22670  -0.00007   0.00861  -0.00089   0.00771  -2.21900
   D276       1.59670   0.00000  -0.00017   0.00272   0.00259   1.59928
   D277      -1.76422   0.00000  -0.00032  -0.00015  -0.00043  -1.76465
   D278       1.58094   0.00001  -0.00150   0.00244   0.00092   1.58187
   D279      -1.77997   0.00001  -0.00164  -0.00043  -0.00209  -1.78206
   D280       0.82491  -0.00002  -0.00333   0.00387   0.00052   0.82543
   D281      -2.53600  -0.00002  -0.00347   0.00100  -0.00250  -2.53850
   D282       0.80358  -0.00002  -0.00373   0.00176  -0.00197   0.80161
   D283      -2.55733  -0.00002  -0.00388  -0.00111  -0.00499  -2.56232
   D284       1.58056   0.00000  -0.00202   0.00278   0.00076   1.58132
   D285      -2.63635   0.00000  -0.00187   0.00303   0.00117  -2.63518
   D286       1.64462   0.00000  -0.00204   0.00163  -0.00041   1.64421
   D287      -2.57229   0.00000  -0.00189   0.00188  -0.00001  -2.57229
   D288       1.33562  -0.00001  -0.00193   0.00089  -0.00104   1.33458
   D289      -2.88128   0.00000  -0.00178   0.00114  -0.00063  -2.88192
   D290       1.24847   0.00000  -0.00238  -0.00072  -0.00309   1.24538
   D291      -2.96844   0.00000  -0.00223  -0.00046  -0.00268  -2.97112
   D292       2.04185   0.00001  -0.00183   0.00107  -0.00076   2.04109
   D293      -2.17506   0.00001  -0.00168   0.00133  -0.00036  -2.17541
   D294       2.02303   0.00002  -0.00172   0.00099  -0.00073   2.02231
   D295      -2.19387   0.00002  -0.00157   0.00125  -0.00032  -2.19420
   D296      -2.29470   0.00000  -0.00346   0.00081  -0.00265  -2.29735
   D297      -0.22842   0.00001  -0.00331   0.00107  -0.00225  -0.23066
   D298      -2.26456  -0.00001  -0.00631   0.00023  -0.00609  -2.27064
   D299      -0.19828  -0.00001  -0.00616   0.00048  -0.00568  -0.20396
   D300      -1.87459  -0.00001  -0.00735   0.00008  -0.00727  -1.88186
   D301       0.19169   0.00000  -0.00720   0.00034  -0.00687   0.18482
   D302      -1.81081   0.00000  -0.00833  -0.00078  -0.00911  -1.81991
   D303       0.25547   0.00001  -0.00818  -0.00052  -0.00870   0.24677
   D304      -2.60738  -0.00003  -0.00804  -0.00017  -0.00821  -2.61559
   D305      -0.54110  -0.00002  -0.00789   0.00008  -0.00781  -0.54891
   D306      -2.72902  -0.00005  -0.00987  -0.00071  -0.01058  -2.73960
   D307      -0.66275  -0.00004  -0.00972  -0.00045  -0.01017  -0.67292
   D308       1.52121   0.00002   0.00017   0.00159   0.00177   1.52298
   D309      -2.69569   0.00003   0.00032   0.00185   0.00218  -2.69352
   D310       2.62176   0.00002   0.00040   0.00126   0.00165   2.62341
   D311      -1.59515   0.00003   0.00055   0.00151   0.00206  -1.59310
   D312       3.00126   0.00002   0.00239   0.00128   0.00364   3.00490
   D313      -1.21565   0.00003   0.00254   0.00153   0.00405  -1.21160
   D314      -0.47026   0.00001   0.02020  -0.00092   0.01931  -0.45095
   D315       1.59602   0.00002   0.02035  -0.00067   0.01971   1.61573
   D316      -0.30785  -0.00006   0.00934   0.00016   0.00950  -0.29836
   D317       1.75842  -0.00005   0.00949   0.00042   0.00990   1.76833
   D318       0.11937   0.00001   0.00712   0.00061   0.00777   0.12715
   D319       2.18565   0.00002   0.00727   0.00087   0.00818   2.19383
   D320       0.25273  -0.00001   0.00619   0.00054   0.00673   0.25945
   D321       2.31900  -0.00001   0.00634   0.00079   0.00713   2.32614
   D322      -0.55386  -0.00003   0.00010   0.00146   0.00153  -0.55233
   D323       1.51242  -0.00002   0.00025   0.00171   0.00193   1.51435
   D324      -0.58812  -0.00004  -0.00042  -0.00106  -0.00148  -0.58960
   D325       1.47816  -0.00004  -0.00027  -0.00081  -0.00108   1.47709
   D326       0.09652   0.00000  -0.02617   0.00355  -0.02253   0.07399
   D327       2.27279  -0.00001  -0.02068   0.00266  -0.01792   2.25487
   D328       0.40023   0.00000  -0.02340   0.00432  -0.01901   0.38122
   D329       2.57650  -0.00001  -0.01791   0.00343  -0.01440   2.56210
   D330       0.76775   0.00003  -0.02639   0.00477  -0.02162   0.74613
   D331       2.94402   0.00002  -0.02090   0.00387  -0.01701   2.92701
   D332       1.04793   0.00000  -0.02758   0.00484  -0.02279   1.02514
   D333      -3.05899  -0.00002  -0.02209   0.00395  -0.01818  -3.07717
   D334       0.33297   0.00000  -0.01614   0.00511  -0.01091   0.32206
   D335       2.50924  -0.00002  -0.01065   0.00422  -0.00630   2.50294
   D336       0.72692   0.00000  -0.02195   0.00649  -0.01550   0.71142
   D337       2.90319  -0.00002  -0.01646   0.00560  -0.01089   2.89230
   D338      -2.32279   0.00002  -0.02303   0.00418  -0.01883  -2.34162
   D339      -0.14652   0.00000  -0.01753   0.00329  -0.01422  -0.16074
   D340      -1.94819   0.00003  -0.01978   0.00454  -0.01529  -1.96348
   D341       0.22808   0.00002  -0.01429   0.00365  -0.01069   0.21739
   D342      -1.90500   0.00003  -0.01981   0.00572  -0.01416  -1.91916
   D343       0.27127   0.00002  -0.01432   0.00483  -0.00955   0.26171
   D344      -1.60555   0.00002  -0.02303   0.00635  -0.01680  -1.62236
   D345       0.57072   0.00000  -0.01754   0.00545  -0.01219   0.55852
   D346      -1.57836   0.00003  -0.01594   0.00374  -0.01231  -1.59068
   D347       0.59790   0.00001  -0.01045   0.00284  -0.00770   0.59020
   D348      -1.27964   0.00003  -0.01430   0.00401  -0.01039  -1.29003
   D349       0.89663   0.00002  -0.00881   0.00312  -0.00578   0.89085
   D350       1.86086   0.00002  -0.03324   0.00625  -0.02711   1.83374
   D351      -2.24606   0.00001  -0.02775   0.00536  -0.02250  -2.26857
   D352       2.29637   0.00001  -0.03898   0.00643  -0.03263   2.26374
   D353      -1.81055   0.00000  -0.03349   0.00554  -0.02802  -1.83857
   D354       2.55032   0.00001  -0.05803   0.00807  -0.04998   2.50034
   D355      -1.55660  -0.00001  -0.05253   0.00718  -0.04537  -1.60197
   D356      -3.10104   0.00000  -0.05301   0.00715  -0.04549   3.13665
   D357      -0.92478  -0.00002  -0.04752   0.00626  -0.04089  -0.96566
   D358       2.61733  -0.00001  -0.03102   0.00504  -0.02595   2.59138
   D359      -1.48958  -0.00002  -0.02553   0.00415  -0.02135  -1.51093
   D360       1.62333   0.00005  -0.00646   0.00323  -0.00321   1.62012
   D361      -2.48359   0.00003  -0.00097   0.00233   0.00140  -2.48219
   D362       1.80220   0.00000  -0.01293   0.00445  -0.00839   1.79381
   D363      -2.30472  -0.00002  -0.00743   0.00356  -0.00378  -2.30850
   D364       2.74016   0.00006  -0.00084   0.00150   0.00067   2.74083
   D365      -1.36676   0.00004   0.00465   0.00060   0.00528  -1.36148
   D366       2.73263   0.00005  -0.01046   0.00520  -0.00524   2.72739
   D367      -1.37428   0.00003  -0.00496   0.00431  -0.00063  -1.37492
   D368       0.06592  -0.00004  -0.01258   0.00360  -0.00896   0.05696
   D369      -2.46573  -0.00002  -0.06339  -0.00553  -0.06891  -2.53464
   D370       0.46519  -0.00004  -0.01244   0.00398  -0.00844   0.45676
   D371      -2.06645  -0.00002  -0.06325  -0.00515  -0.06839  -2.13485
   D372       0.68149  -0.00002  -0.01640   0.00363  -0.01275   0.66875
   D373      -1.85016   0.00000  -0.06721  -0.00550  -0.07270  -1.92286
   D374       0.95479  -0.00005  -0.01767   0.00271  -0.01494   0.93986
   D375      -1.57685  -0.00003  -0.06848  -0.00642  -0.07489  -1.65174
   D376       0.70222  -0.00002  -0.00782   0.00488  -0.00292   0.69930
   D377      -1.82943   0.00000  -0.05863  -0.00425  -0.06288  -1.89230
   D378       1.04290  -0.00001  -0.00895   0.00477  -0.00416   1.03873
   D379      -1.48875   0.00001  -0.05976  -0.00436  -0.06412  -1.55287
   D380      -2.74319  -0.00006  -0.02002   0.00318  -0.01680  -2.75999
   D381       1.00835  -0.00004  -0.07083  -0.00595  -0.07676   0.93159
   D382      -2.18995  -0.00004  -0.01697   0.00300  -0.01389  -2.20384
   D383       1.56159  -0.00002  -0.06778  -0.00613  -0.07384   1.48775
   D384      -1.96346  -0.00001  -0.00772   0.00397  -0.00372  -1.96718
   D385       1.78808   0.00001  -0.05853  -0.00517  -0.06368   1.72440
   D386      -1.63544  -0.00002  -0.00517   0.00434  -0.00081  -1.63625
   D387       2.11610   0.00000  -0.05598  -0.00479  -0.06076   2.05534
   D388      -1.67365  -0.00004  -0.01127   0.00208  -0.00915  -1.68280
   D389       2.07788  -0.00002  -0.06208  -0.00705  -0.06910   2.00878
   D390      -1.11656   0.00001   0.00718   0.00403   0.01113  -1.10543
   D391       2.63498   0.00003  -0.04363  -0.00510  -0.04883   2.58615
   D392       1.79805  -0.00001  -0.00884   0.00387  -0.00496   1.79310
   D393      -0.73359   0.00001  -0.05965  -0.00527  -0.06491  -0.79851
   D394       2.09725  -0.00002  -0.00877   0.00380  -0.00497   2.09228
   D395      -0.43440   0.00000  -0.05958  -0.00533  -0.06493  -0.49933
   D396       2.04296  -0.00002  -0.00991   0.00383  -0.00610   2.03686
   D397      -0.48869   0.00000  -0.06072  -0.00531  -0.06605  -0.55474
   D398       2.23896  -0.00001  -0.00985   0.00412  -0.00578   2.23318
   D399      -0.29268   0.00001  -0.06066  -0.00501  -0.06574  -0.35842
   D400       2.49751  -0.00004  -0.00798   0.00361  -0.00437   2.49314
   D401      -0.03414  -0.00002  -0.05879  -0.00552  -0.06433  -0.09846
   D402      -1.54937   0.00001   0.01279   0.00132   0.01414  -1.53523
   D403       2.20217   0.00003  -0.03802  -0.00781  -0.04582   2.15635
   D404      -2.64928   0.00007   0.01256   0.00184   0.01440  -2.63488
   D405       1.10226   0.00009  -0.03825  -0.00729  -0.04555   1.05671
   D406      -3.00286   0.00001   0.00635   0.00436   0.01069  -2.99217
   D407       0.74868   0.00003  -0.04446  -0.00477  -0.04927   0.69941
   D408       1.94543  -0.00006  -0.02346  -0.00125  -0.02475   1.92068
   D409       2.44187  -0.00006  -0.02607   0.00007  -0.02600   2.41587
   D410       2.66893  -0.00001  -0.02340  -0.00089  -0.02428   2.64465
   D411       2.90079  -0.00003  -0.02286  -0.00238  -0.02524   2.87555
   D412       2.87187  -0.00007  -0.03265   0.00260  -0.02996   2.84191
   D413      -2.92327  -0.00002  -0.02737   0.00051  -0.02674  -2.95000
   D414      -0.73293  -0.00001  -0.01694  -0.00175  -0.01872  -0.75165
   D415      -0.35153   0.00000  -0.01704  -0.00201  -0.01909  -0.37062
   D416      -0.04292   0.00000  -0.01705  -0.00127  -0.01833  -0.06125
   D417       0.26582  -0.00001  -0.01689  -0.00160  -0.01850   0.24732
   D418      -0.21518   0.00000  -0.01666  -0.00337  -0.02009  -0.23527
   D419       0.09496   0.00000  -0.01457  -0.00359  -0.01823   0.07673
   D420      -2.54342   0.00000  -0.01691  -0.00115  -0.01805  -2.56147
   D421      -2.16080  -0.00001  -0.01657  -0.00144  -0.01800  -2.17880
   D422      -1.91971   0.00000  -0.01627  -0.00170  -0.01798  -1.93769
   D423      -1.60818   0.00000  -0.01455  -0.00164  -0.01623  -1.62441
   D424      -1.94351  -0.00004  -0.01655  -0.00156  -0.01813  -1.96165
   D425       1.31977   0.00002   0.01286  -0.00495   0.00797   1.32774
   D426       2.47728   0.00008   0.00634  -0.00269   0.00367   2.48095
   D427       2.95417  -0.00003   0.00118  -0.00135  -0.00010   2.95408
   D428      -3.08773   0.00029   0.00943  -0.00145   0.00799  -3.07974
   D429       0.02126   0.00025   0.00520   0.00049   0.00570   0.02697
   D430       0.02192   0.00021   0.01044  -0.00275   0.00769   0.02961
   D431       3.13092   0.00017   0.00622  -0.00081   0.00540   3.13632
   D432      -0.07879  -0.00003  -0.00304  -0.00763  -0.01067  -0.08946
   D433       2.02061  -0.00001  -0.00355  -0.00456  -0.00812   2.01249
   D434      -2.17415  -0.00003  -0.00389  -0.00682  -0.01070  -2.18485
   D435       3.09374   0.00001   0.00096  -0.00949  -0.00853   3.08521
   D436      -1.09005   0.00003   0.00044  -0.00642  -0.00598  -1.09603
   D437       0.99838   0.00001   0.00011  -0.00868  -0.00856   0.98981
   D438      -2.38954   0.00004   0.01067  -0.00024   0.01042  -2.37912
   D439      -0.29993   0.00006   0.01116  -0.00012   0.01104  -0.28889
   D440       1.80676   0.00004   0.01146  -0.00006   0.01140   1.81816
   D441       0.72106   0.00000   0.00667   0.00163   0.00829   0.72935
   D442       2.81067   0.00002   0.00717   0.00175   0.00891   2.81958
   D443      -1.36583   0.00000   0.00747   0.00181   0.00927  -1.35655
   D444       0.00237   0.00004  -0.00196   0.00222   0.00025   0.00262
   D445       3.11043   0.00006   0.00170   0.00049   0.00219   3.11263
   D446      -3.11720  -0.00001  -0.00228   0.00229   0.00001  -3.11719
   D447      -0.00914   0.00000   0.00139   0.00057   0.00195  -0.00719
   D448       2.42679  -0.00003  -0.00119   0.00128   0.00010   2.42689
   D449      -1.77248  -0.00001  -0.00104   0.00159   0.00055  -1.77193
   D450       0.33598  -0.00005  -0.00120   0.00139   0.00019   0.33616
   D451      -0.68287  -0.00005  -0.00469   0.00294  -0.00174  -0.68461
   D452       1.40104  -0.00003  -0.00453   0.00324  -0.00129   1.39976
   D453      -2.77369  -0.00007  -0.00470   0.00305  -0.00165  -2.77534
   D454       2.06804  -0.00003  -0.00414   0.00132  -0.00282   2.06522
   D455      -2.13114  -0.00002  -0.00384   0.00125  -0.00259  -2.13372
   D456      -0.03723  -0.00002  -0.00413   0.00133  -0.00280  -0.04003
   D457      -1.10544  -0.00001  -0.00065  -0.00034  -0.00099  -1.10643
   D458       0.97857   0.00000  -0.00035  -0.00041  -0.00075   0.97782
   D459       3.07247   0.00000  -0.00064  -0.00033  -0.00096   3.07151
   D460      -3.09382   0.00007   0.00129   0.00451   0.00580  -3.08802
   D461      -0.03604   0.00007   0.00286   0.00311   0.00597  -0.03007
   D462       0.06257   0.00001   0.00053   0.00310   0.00363   0.06620
   D463       3.12036   0.00002   0.00210   0.00170   0.00380   3.12415
   D464       1.95606  -0.00007  -0.00691  -0.00244  -0.00936   1.94670
   D465      -2.24643   0.00001  -0.00584  -0.00180  -0.00764  -2.25406
   D466      -0.15121  -0.00004  -0.00702  -0.00250  -0.00952  -0.16073
   D467      -1.10515  -0.00007  -0.00842  -0.00101  -0.00943  -1.11458
   D468       0.97555   0.00001  -0.00735  -0.00037  -0.00771   0.96784
   D469       3.07076  -0.00004  -0.00853  -0.00106  -0.00959   3.06117
   D470      -1.65310   0.00000  -0.00014   0.00547   0.00533  -1.64777
   D471       0.45077   0.00001  -0.00010   0.00577   0.00566   0.45644
   D472       2.54402   0.00001  -0.00047   0.00508   0.00462   2.54863
   D473       1.40847   0.00000   0.00135   0.00406   0.00540   1.41388
   D474      -2.77083   0.00001   0.00139   0.00435   0.00573  -2.76510
   D475      -0.67759   0.00001   0.00102   0.00367   0.00468  -0.67291
   D476      -0.00772   0.00024   0.00253   0.00261   0.00513  -0.00259
   D477      -3.07376   0.00022  -0.01603   0.00501  -0.01106  -3.08483
   D478       3.10692   0.00009   0.00332   0.00534   0.00864   3.11556
   D479       0.04088   0.00007  -0.01524   0.00774  -0.00755   0.03332
   D480      -0.35779   0.00011   0.00178   0.00329   0.00501  -0.35278
   D481       1.74923   0.00005   0.00172   0.00336   0.00507   1.75430
   D482      -2.44850   0.00008   0.00259   0.00414   0.00671  -2.44179
   D483       2.71197   0.00014   0.01937   0.00107   0.02037   2.73235
   D484      -1.46420   0.00008   0.01930   0.00113   0.02043  -1.44377
   D485       0.62126   0.00011   0.02018   0.00191   0.02207   0.64333
   D486      -0.06283  -0.00004   0.04004  -0.01368   0.02635  -0.03648
   D487       2.02977   0.00007   0.03974  -0.01163   0.02813   2.05791
   D488      -2.16772   0.00001   0.03987  -0.01281   0.02709  -2.14063
   D489      -3.13255  -0.00006   0.02242  -0.01145   0.01096  -3.12159
   D490      -1.03995   0.00005   0.02212  -0.00940   0.01274  -1.02720
   D491       1.04574  -0.00001   0.02225  -0.01057   0.01171   1.05745
         Item               Value     Threshold  Converged?
 Maximum Force            0.000454     0.000450     NO 
 RMS     Force            0.000052     0.000300     YES
 Maximum Displacement     0.148097     0.001800     NO 
 RMS     Displacement     0.012850     0.001200     NO 
 Predicted change in Energy=-8.520827D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:14:46 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833010   -0.600390    1.674852
      2          6           0       -2.080665    1.109092   -1.354356
      3          8           0       -2.629538    0.131382   -1.891509
      4          7           0       -0.788066    1.155809   -0.931318
      5          1           0       -2.631238    2.047062   -1.140306
      6          6           0       -0.246587    2.326465   -0.238841
      7          1           0       -0.999230    3.126890   -0.219951
      8          1           0        0.029486    2.057826    0.792500
      9          1           0        0.653085    2.683017   -0.766316
     10          6           0        0.123999    0.022558   -1.105429
     11          1           0        0.698331   -0.122589   -0.176848
     12          1           0       -0.457447   -0.883019   -1.322734
     13          1           0        0.827843    0.217135   -1.931457
     14          6           0       -1.993363   -4.014026    2.608516
     15          8           0       -2.110391   -3.864091    3.836816
     16          7           0       -2.940293   -3.707296    1.680828
     17          1           0       -1.063578   -4.405310    2.149790
     18          6           0       -4.238544   -3.145355    2.061725
     19          1           0       -4.510178   -2.356328    1.343159
     20          1           0       -5.019606   -3.923696    2.044348
     21          1           0       -4.169487   -2.717336    3.070114
     22          6           0       -2.697858   -3.886017    0.249140
     23          1           0       -3.410420   -4.614583   -0.171030
     24          1           0       -2.832613   -2.923922   -0.271815
     25          1           0       -1.671104   -4.244084    0.090468
     26          6           0        1.538818    0.382973    2.623192
     27          8           0        1.356113    1.396737    3.318345
     28          7           0        1.170415   -0.882921    2.960558
     29          1           0        2.024237    0.431759    1.628571
     30          6           0        1.486548   -2.027339    2.105707
     31          1           0        2.231260   -2.677653    2.594656
     32          1           0        0.575251   -2.620491    1.923904
     33          1           0        1.883351   -1.670688    1.145382
     34          6           0        0.530596   -1.169659    4.247021
     35          1           0        1.280391   -1.478643    4.995352
     36          1           0        0.010944   -0.270428    4.601047
     37          1           0       -0.192484   -1.987248    4.113068
     38          6           0       -4.611918    1.155344    2.910321
     39          8           0       -4.878282    1.771522    1.864667
     40          7           0       -3.520602    1.366740    3.695431
     41          1           0       -5.255405    0.336028    3.290414
     42          6           0       -2.517369    2.381828    3.361385
     43          1           0       -2.591813    2.628032    2.293792
     44          1           0       -2.673261    3.292731    3.962961
     45          1           0       -1.516059    1.977380    3.578746
     46          6           0       -3.251325    0.543885    4.874749
     47          1           0       -4.059222   -0.188247    5.008825
     48          1           0       -2.295652    0.009857    4.745188
     49          1           0       -3.179292    1.179436    5.772270
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487086   0.000000
     3  O    3.726779   1.243267   0.000000
     4  N    3.311838   1.360866   2.315694   0.000000
     5  H    3.946047   1.108483   2.057703   2.057982   0.000000
     6  C    3.839979   2.467836   3.637054   1.463953   2.564618
     7  H    4.263577   2.554972   3.798036   2.106132   2.162528
     8  H    3.363562   3.156236   4.240932   2.110349   3.288663
     9  H    4.787560   3.208803   4.307263   2.106301   3.366167
    10  C    3.456576   2.470438   2.865612   1.465071   3.419234
    11  H    3.172503   3.259814   3.752237   2.100691   4.089213
    12  H    3.310223   2.569893   2.463838   2.102222   3.652947
    13  H    4.555650   3.096458   3.458675   2.119563   3.992467
    14  C    3.542647   6.477524   6.151369   6.380467   7.155232
    15  O    3.924636   7.188999   7.003357   7.048620   7.744983
    16  N    3.298329   5.757508   5.252962   5.924963   6.416148
    17  H    3.910883   6.612272   6.274225   6.363583   7.410492
    18  C    3.523225   5.867400   5.380889   6.274084   6.308537
    19  H    3.218783   5.018790   4.493170   5.600221   5.393316
    20  H    4.619014   6.746668   6.135719   7.249959   7.176091
    21  H    3.447802   6.211334   5.924891   6.515115   6.541662
    22  C    3.684557   5.282352   4.552640   5.519130   6.093966
    23  H    4.691402   5.994078   5.108229   6.383746   6.776735
    24  H    3.191789   4.242939   3.464034   4.610784   5.050299
    25  H    3.976555   5.559834   4.898115   5.566206   6.481912
    26  C    3.638073   5.426674   6.149879   4.318125   5.858538
    27  O    4.106104   5.807609   6.680503   4.766045   6.016764
    28  N    3.279242   5.758136   6.245879   4.810278   6.313038
    29  H    3.993223   5.119264   5.842844   3.871219   5.652374
    30  C    3.638858   5.876585   6.130251   4.952759   6.640294
    31  H    4.656109   6.966121   7.186356   6.020320   7.740592
    32  H    3.153181   5.631223   5.692175   4.926598   6.438711
    33  H    3.903487   5.448788   5.730299   4.408882   6.279136
    34  C    3.539315   6.586868   7.025718   5.827682   7.026221
    35  H    4.635765   7.636221   8.081372   6.807663   8.085650
    36  H    3.474428   6.461016   7.020461   5.768850   6.731643
    37  H    3.249553   6.560890   6.817827   5.973220   7.058407
    38  C    3.511597   4.959521   5.294893   5.420335   4.596285
    39  O    3.864671   4.315968   4.675015   4.992645   3.762313
    40  N    3.286382   5.257390   5.790855   5.377551   4.963684
    41  H    3.898681   5.678952   5.812863   6.200983   5.426341
    42  C    3.493762   4.903956   5.715767   4.787580   4.515558
    43  H    3.373660   3.984650   4.873544   3.977723   3.483118
    44  H    4.593240   5.778694   6.653635   5.663423   5.253265
    45  H    3.220275   5.040655   5.879731   4.641728   4.849529
    46  C    3.682434   6.363305   6.807277   6.336601   6.230966
    47  H    4.030044   6.788803   7.054131   6.913194   6.696832
    48  H    3.164396   6.201530   6.646202   5.984041   6.237136
    49  H    4.665736   7.211153   7.754621   7.117347   6.988337
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098867   0.000000
     8  H    1.100930   1.796166   0.000000
     9  H    1.102166   1.796019   1.791548   0.000000
    10  C    2.489236   3.417981   2.784490   2.733673   0.000000
    11  H    2.625753   3.666427   2.478144   2.867218   1.101448
    12  H    3.394124   4.193928   3.655119   3.776175   1.097894
    13  H    2.910089   3.838505   3.383113   2.732886   1.102532
    14  C    7.166623   7.744754   6.652610   7.952582   5.879679
    15  O    7.642494   8.158790   6.994000   8.467009   6.672655
    16  N    6.880948   7.354372   6.545636   7.728970   5.573593
    17  H    7.189564   7.896446   6.693964   7.854615   5.622527
    18  C    7.153261   7.418913   6.848366   8.117621   6.252866
    19  H    6.527593   6.695950   6.355826   7.516925   5.755891
    20  H    8.188967   8.426224   7.927110   9.150296   7.207684
    21  H    7.195710   7.418223   6.754337   8.193851   6.586062
    22  C    6.696400   7.230923   6.562234   7.443935   5.007464
    23  H    7.628406   8.108430   7.568513   8.373852   5.904939
    24  H    5.852792   6.322682   5.843132   6.620603   4.256550
    25  H    6.731255   7.408038   6.564977   7.356674   4.780879
    26  C    3.893078   4.696193   2.904247   4.190881   4.004276
    27  O    4.010812   4.589184   2.928629   4.339725   4.793355
    28  N    4.748074   5.558920   3.827557   5.183930   4.295013
    29  H    3.497682   4.452204   2.705946   3.561419   3.354566
    30  C    5.239873   6.176881   4.531680   5.579483   4.045988
    31  H    6.261759   7.214624   5.524522   6.521008   5.042056
    32  H    5.461250   6.333048   4.844026   5.947313   4.045516
    33  H    4.736026   5.761091   4.178895   4.911506   3.320927
    34  C    5.740196   6.383929   4.754102   6.323896   5.498676
    35  H    6.648855   7.321680   5.633413   7.135106   6.388301
    36  H    5.498607   5.983665   4.463870   6.159851   5.715111
    37  H    6.127818   6.751318   5.238136   6.806963   5.601089
    38  C    5.508616   5.170793   5.180952   6.600886   6.311764
    39  O    5.117158   4.607570   5.031670   6.192650   6.074798
    40  N    5.207566   4.978520   4.637643   6.249754   6.175614
    41  H    6.442495   6.182766   6.093787   7.541596   6.954114
    42  C    4.256894   3.960534   3.631889   5.213483   5.700475
    43  H    3.464860   3.017297   3.074121   4.460565   5.071374
    44  H    4.947479   4.508507   4.345303   5.813982   6.648855
    45  H    4.038241   4.002323   3.187217   4.907410   5.334100
    46  C    6.193128   6.140017   5.451650   7.186230   6.886735
    47  H    6.956864   6.906068   6.288066   7.987630   7.411335
    48  H    5.865653   6.004100   5.022369   6.798346   6.331240
    49  H    6.786007   6.667231   5.988818   7.726641   7.717049
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796422   0.000000
    13  H    1.791881   1.798013   0.000000
    14  C    5.490606   5.255185   6.817131   0.000000
    15  O    6.164191   6.183847   7.652620   1.242939   0.000000
    16  N    5.435133   4.812739   6.530590   1.360648   2.315514
    17  H    5.182593   4.983207   6.449887   1.108167   2.057861
    18  C    6.206534   5.556026   7.274621   2.468685   2.862964
    19  H    5.867587   5.069739   6.770545   3.268554   3.775004
    20  H    7.216436   6.433993   8.194277   3.079707   3.417605
    21  H    6.400870   6.036645   7.655073   2.574878   2.478458
    22  C    5.087136   4.063031   5.832788   2.465635   3.635522
    23  H    6.087683   4.896023   6.663893   3.177199   4.279736
    24  H    4.508221   3.303200   5.100940   3.192016   4.276256
    25  H    4.761555   3.842767   5.498671   2.548988   3.791106
    26  C    2.966856   4.599798   4.612788   5.640046   5.729499
    27  O    3.867480   5.479590   5.406565   6.403062   6.321532
    28  N    3.262558   4.582197   5.025862   4.465114   4.518726
    29  H    2.307568   4.074016   3.761811   6.071772   6.358130
    30  C    3.075617   4.103997   4.665860   4.038505   4.394129
    31  H    4.069332   5.078957   5.552934   4.430973   4.669104
    32  H    3.266163   3.824387   4.793718   3.001401   3.523981
    33  H    2.355669   3.491612   3.760972   4.760347   5.291957
    34  C    4.549188   5.663971   6.339175   4.140712   3.795134
    35  H    5.378599   6.579746   7.145708   4.779396   4.304646
    36  H    4.829352   5.973762   6.601412   4.690624   4.242467
    37  H    4.761710   5.553149   6.514341   3.100754   2.697633
    38  C    6.273951   6.271627   7.342618   5.802612   5.684255
    39  O    6.233302   6.062170   7.027555   6.507583   6.581088
    40  N    5.917097   6.294944   7.203640   5.697937   5.419435
    41  H    6.905014   6.766655   8.017978   5.479861   5.275478
    42  C    5.397400   6.069884   6.624992   6.461296   6.277195
    43  H    4.949245   5.473780   5.946360   6.676386   6.690318
    44  H    6.337986   7.091213   7.514065   7.462271   7.180031
    45  H    4.839203   5.772959   6.241368   6.088195   5.877297
    46  C    6.446906   6.946266   7.941713   5.243361   4.670042
    47  H    7.037743   7.317386   8.497956   4.966472   4.322428
    48  H    5.762631   6.402805   7.374061   4.566003   3.983332
    49  H    7.219643   7.874087   8.736736   6.195790   5.506877
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056504   0.000000
    18  C    1.465031   3.416965   0.000000
    19  H    2.098493   4.089992   1.101221   0.000000
    20  H    2.121914   3.986631   1.102803   1.791041   0.000000
    21  H    2.102631   3.652797   1.097642   1.796879   1.797277
    22  C    1.463027   2.559884   2.491538   2.611768   2.935083
    23  H    2.115081   3.307214   2.798145   2.932909   2.823953
    24  H    2.106676   3.344871   2.733328   2.396774   3.338727
    25  H    2.104335   2.153111   3.418305   3.632244   3.890085
    26  C    6.138468   5.470304   6.792809   6.762588   7.867362
    27  O    6.869623   6.394074   7.315045   7.238800   8.401183
    28  N    5.149051   4.249152   5.931555   6.087368   6.957163
    29  H    6.463828   5.762249   7.225358   7.110096   8.292080
    30  C    4.753915   3.487096   5.833402   6.053961   6.777166
    31  H    5.351655   3.746821   6.508542   6.864144   7.377705
    32  H    3.687720   2.433591   4.844285   5.125293   5.745892
    33  H    5.263271   4.143837   6.363327   6.433228   7.316762
    34  C    5.007197   4.172435   5.605675   5.937171   6.575807
    35  H    5.810950   4.707101   6.468597   6.902140   7.374055
    36  H    5.389762   4.925496   5.724640   5.950240   6.722314
    37  H    4.052754   3.234238   4.681861   5.143063   5.597369
    38  C    5.286894   6.640030   4.399493   3.846841   5.168440
    39  O    5.814383   7.265433   4.962235   4.176914   5.699804
    40  N    5.490103   6.460846   4.852158   4.513721   5.741237
    41  H    4.929400   6.430609   3.829323   3.405282   4.444495
    42  C    6.330922   7.046043   5.933070   5.522196   6.910530
    43  H    6.374445   7.198899   6.008127   5.424728   6.991534
    44  H    7.367484   8.070843   6.893023   6.492264   7.827084
    45  H    6.160039   6.556325   5.996307   5.722204   7.032206
    46  C    5.326389   6.058562   4.743227   4.740050   5.576493
    47  H    4.971044   5.910296   4.178761   4.282645   4.864571
    48  H    4.860359   5.267618   4.575059   4.698591   5.494298
    49  H    6.377865   6.984841   5.796031   5.821504   6.582258
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389603   0.000000
    23  H    3.831547   1.102314   0.000000
    24  H    3.605329   1.102351   1.789512   0.000000
    25  H    4.177460   1.098914   1.797462   1.795321   0.000000
    26  C    6.511252   6.466051   7.568236   6.198873   6.174783
    27  O    6.893436   7.332270   8.428021   7.007337   7.169525
    28  N    5.647268   5.597670   6.687017   5.535174   5.254432
    29  H    7.096271   6.545548   7.631490   6.201698   6.155064
    30  C    5.779006   4.940727   5.988127   5.011150   4.352690
    31  H    6.418504   5.590867   6.574897   5.824098   4.894191
    32  H    4.882183   3.888397   4.924502   4.065315   3.323199
    33  H    6.437151   5.167050   6.198666   5.081275   4.513242
    34  C    5.086373   5.812450   6.849693   5.899872   5.619298
    35  H    5.911182   6.644430   7.650447   6.837301   6.357427
    36  H    5.080070   6.272893   7.304117   6.234711   6.242158
    37  H    4.175803   4.981181   5.967537   5.203348   4.843649
    38  C    3.901144   6.013387   6.650593   5.471044   6.764154
    39  O    4.701631   6.274705   6.861561   5.549460   7.044238
    40  N    4.182313   6.336031   7.123053   5.884059   6.920819
    41  H    3.248197   5.797936   6.316179   5.402469   6.638094
    42  C    5.368036   7.000324   7.888300   6.438207   7.437592
    43  H    5.627139   6.828227   7.694215   6.120827   7.275185
    44  H    6.257537   8.082543   8.953151   7.523662   8.532532
    45  H    5.416617   6.845608   7.816867   6.370471   7.134335
    46  C    3.838657   6.428578   7.217686   6.219978   6.950618
    47  H    3.188581   6.179112   6.844290   6.072367   6.807581
    48  H    3.708734   5.962722   6.840860   5.836583   6.336599
    49  H    4.844271   7.509698   8.303427   7.313596   7.998254
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242714   0.000000
    28  N    1.360891   2.315024   0.000000
    29  H    1.107827   2.057403   2.057082   0.000000
    30  C    2.465791   3.634804   1.463012   2.562017   0.000000
    31  H    3.138108   4.229688   2.116681   3.262610   1.102984
    32  H    3.230829   4.323463   2.109033   3.391609   1.102427
    33  H    2.553458   3.795899   2.103264   2.161852   1.098579
    34  C    2.462519   2.851369   1.465119   3.413471   2.496936
    35  H    3.026474   3.329549   2.123056   3.941847   2.948494
    36  H    2.583262   2.496847   2.100173   3.658145   3.389818
    37  H    3.291669   3.805403   2.098883   4.115601   2.617299
    38  C    6.205687   5.986831   6.131266   6.797427   6.925905
    39  O    6.609281   6.412591   6.695804   7.035303   7.416233
    40  N    5.264525   4.891364   5.254204   5.990938   6.254482
    41  H    6.827068   6.696123   6.548726   7.467535   7.241752
    42  C    4.581812   3.997014   4.941559   5.237519   6.086776
    43  H    4.712845   4.260506   5.189001   5.155003   6.192002
    44  H    5.291813   4.499575   5.763222   5.975034   7.004038
    45  H    3.575961   2.941824   3.972484   4.327335   5.217593
    46  C    5.295363   4.937432   5.025106   6.195304   6.060217
    47  H    6.111922   5.890310   5.659247   6.987060   6.524257
    48  H    4.398323   4.158691   3.999448   5.343477   5.042031
    49  H    5.728142   5.161285   5.574854   6.693727   6.745158
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787608   0.000000
    33  H    1.798726   1.794254   0.000000
    34  C    2.810092   2.739303   3.420694   0.000000
    35  H    2.846949   3.351840   3.901630   1.103477   0.000000
    36  H    3.840591   3.606706   4.172320   1.097264   1.796318
    37  H    2.942239   2.404756   3.635445   1.099654   1.790661
    38  C    7.849878   6.491276   7.299999   5.799815   6.782665
    39  O    8.418648   7.002450   7.621408   6.601676   7.635052
    40  N    7.117073   5.984340   6.703091   4.811421   5.730230
    41  H    8.100402   6.678690   7.719451   6.054751   6.994032
    42  C    6.981096   6.054242   6.379647   4.763140   5.656507
    43  H    7.176549   6.141181   6.310700   5.290274   6.257569
    44  H    7.846787   7.048175   7.303218   5.500756   6.281975
    45  H    6.056416   5.315308   5.548483   3.813036   4.665941
    46  C    6.755433   5.776110   6.721414   4.199191   4.964032
    47  H    7.183002   6.075433   7.241409   4.754992   5.493339
    48  H    5.686865   4.808374   5.766013   3.102758   3.881533
    49  H    7.365354   6.583764   7.427089   4.648430   5.249548
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796379   0.000000
    38  C    5.124668   5.554627   0.000000
    39  O    5.963377   6.414075   1.242585   0.000000
    40  N    3.996533   4.743419   1.360903   2.314917   0.000000
    41  H    5.460767   5.630945   1.108975   2.058062   2.058142
    42  C    3.868280   5.005891   2.468777   2.861215   1.465765
    43  H    4.527564   5.510658   2.574829   2.479053   2.101928
    44  H    4.506463   5.835663   3.071623   3.402798   2.121085
    45  H    2.903357   4.213743   3.272136   3.779549   2.098735
    46  C    3.373487   4.042685   2.466591   3.635199   1.463007
    47  H    4.091367   4.357803   2.552338   3.794375   2.105492
    48  H    2.328030   2.968387   3.169221   4.250981   2.107990
    49  H    3.694790   4.658525   3.200586   4.301918   2.113016
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418652   0.000000
    43  H    3.652570   1.098141   0.000000
    44  H    3.982698   1.102696   1.798495   0.000000
    45  H    4.093883   1.101565   1.797693   1.793567   0.000000
    46  C    2.563135   2.491384   3.382301   2.953247   2.597244
    47  H    2.158392   3.420037   4.178053   3.889978   3.633558
    48  H    3.314045   2.755053   3.598875   3.395840   2.416506
    49  H    3.343829   2.774213   3.813578   2.827665   2.866113
                   46         47         48         49
    46  C    0.000000
    47  H    1.098495   0.000000
    48  H    1.102398   1.794137   0.000000
    49  H    1.102115   1.796575   1.789869   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2139736      0.1941795      0.1845397
 Leave Link  202 at Mon Nov 14 03:14:46 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.5981714628 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841178829 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.4140535799 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4027
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.55D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.41%
 GePol: Cavity surface area                          =    467.518 Ang**2
 GePol: Cavity volume                                =    457.891 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040220804 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.4100314994 Hartrees.
 Leave Link  301 at Mon Nov 14 03:14:46 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:14:48 2016, MaxMem=  2952790016 cpu:        14.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:14:48 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.004150   -0.005463    0.001246
         Rot=    1.000000    0.000248   -0.000480    0.000642 Ang=   0.10 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50895143939    
 Leave Link  401 at Mon Nov 14 03:14:55 2016, MaxMem=  2952790016 cpu:        79.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48650187.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   2405.
 Iteration    1 A*A^-1 deviation from orthogonality  is 5.97D-15 for   2145   1114.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   1963.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.08D-06 for   1428   1424.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.11D-14 for    687.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.87D-14 for   1817   1005.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.67D-15 for   2262.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.07D-15 for   2428    150.
 E= -1013.44977787641    
 DIIS: error= 1.06D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44977787641     IErMin= 1 ErrMin= 1.06D-03
 ErrMax= 1.06D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.90D-04 BMatP= 9.90D-04
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.06D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 GapD=    0.326 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.67D-04 MaxDP=6.12D-03              OVMax= 8.52D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.67D-04    CP:  1.00D+00
 E= -1013.45130806742     Delta-E=       -0.001530191012 Rises=F Damp=F
 DIIS: error= 1.17D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45130806742     IErMin= 2 ErrMin= 1.17D-04
 ErrMax= 1.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-05 BMatP= 9.90D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.17D-03
 Coeff-Com:  0.265D-01 0.974D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.265D-01 0.974D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.65D-05 MaxDP=1.84D-03 DE=-1.53D-03 OVMax= 2.79D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.47D-05    CP:  1.00D+00  9.35D-01
 E= -1013.45125142297     Delta-E=        0.000056644451 Rises=F Damp=F
 DIIS: error= 2.96D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45130806742     IErMin= 2 ErrMin= 1.17D-04
 ErrMax= 2.96D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.21D-05 BMatP= 2.13D-05
 IDIUse=3 WtCom= 3.67D-01 WtEn= 6.33D-01
 Coeff-Com:  0.279D-02 0.686D+00 0.311D+00
 Coeff-En:   0.000D+00 0.764D+00 0.236D+00
 Coeff:      0.103D-02 0.736D+00 0.263D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.28D-05 MaxDP=1.33D-03 DE= 5.66D-05 OVMax= 2.27D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.00D-05    CP:  1.00D+00  9.55D-01  4.24D-01
 E= -1013.45132480950     Delta-E=       -0.000073386537 Rises=F Damp=F
 DIIS: error= 5.88D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45132480950     IErMin= 4 ErrMin= 5.88D-05
 ErrMax= 5.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-06 BMatP= 2.13D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.439D-04 0.308D+00 0.116D+00 0.577D+00
 Coeff:     -0.439D-04 0.308D+00 0.116D+00 0.577D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.71D-06 MaxDP=3.18D-04 DE=-7.34D-05 OVMax= 4.38D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.53D-06    CP:  1.00D+00  9.64D-01  3.78D-01  6.13D-01
 E= -1013.45132585659     Delta-E=       -0.000001047082 Rises=F Damp=F
 DIIS: error= 4.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45132585659     IErMin= 5 ErrMin= 4.94D-05
 ErrMax= 4.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.28D-07 BMatP= 1.84D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-04 0.155D+00 0.528D-01 0.404D+00 0.388D+00
 Coeff:     -0.151D-04 0.155D+00 0.528D-01 0.404D+00 0.388D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.03D-06 MaxDP=1.49D-04 DE=-1.05D-06 OVMax= 2.01D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.04D-06    CP:  1.00D+00  9.65D-01  3.67D-01  6.41D-01  5.29D-01
 E= -1013.45132649688     Delta-E=       -0.000000640296 Rises=F Damp=F
 DIIS: error= 2.38D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45132649688     IErMin= 6 ErrMin= 2.38D-06
 ErrMax= 2.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.05D-09 BMatP= 7.28D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.171D-04 0.508D-01 0.170D-01 0.143D+00 0.157D+00 0.632D+00
 Coeff:     -0.171D-04 0.508D-01 0.170D-01 0.143D+00 0.157D+00 0.632D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.65D-07 MaxDP=1.15D-05 DE=-6.40D-07 OVMax= 1.54D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.32D-07    CP:  1.00D+00  9.65D-01  3.68D-01  6.47D-01  5.34D-01
                    CP:  8.98D-01
 E= -1013.45132650079     Delta-E=       -0.000000003909 Rises=F Damp=F
 DIIS: error= 8.59D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45132650079     IErMin= 7 ErrMin= 8.59D-07
 ErrMax= 8.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-09 BMatP= 5.05D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.155D-04 0.110D-01 0.365D-02 0.344D-01 0.436D-01 0.345D+00
 Coeff-Com:  0.563D+00
 Coeff:     -0.155D-04 0.110D-01 0.365D-02 0.344D-01 0.436D-01 0.345D+00
 Coeff:      0.563D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.30D-08 MaxDP=4.44D-06 DE=-3.91D-09 OVMax= 5.13D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.41D-08    CP:  1.00D+00  9.65D-01  3.68D-01  6.48D-01  5.34D-01
                    CP:  9.01D-01  7.13D-01
 E= -1013.45132650178     Delta-E=       -0.000000000987 Rises=F Damp=F
 DIIS: error= 2.88D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45132650178     IErMin= 8 ErrMin= 2.88D-07
 ErrMax= 2.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.78D-11 BMatP= 1.01D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.771D-05 0.394D-02 0.133D-02 0.129D-01 0.174D-01 0.163D+00
 Coeff-Com:  0.311D+00 0.491D+00
 Coeff:     -0.771D-05 0.394D-02 0.133D-02 0.129D-01 0.174D-01 0.163D+00
 Coeff:      0.311D+00 0.491D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.72D-08 MaxDP=2.05D-06 DE=-9.87D-10 OVMax= 3.60D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.94D-08    CP:  1.00D+00  9.65D-01  3.68D-01  6.48D-01  5.35D-01
                    CP:  9.05D-01  7.26D-01  6.58D-01
 E= -1013.45132650181     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 2.87D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45132650181     IErMin= 9 ErrMin= 2.87D-07
 ErrMax= 2.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.80D-11 BMatP= 6.78D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.301D-05 0.720D-03 0.272D-03 0.270D-02 0.428D-02 0.549D-01
 Coeff-Com:  0.129D+00 0.424D+00 0.384D+00
 Coeff:     -0.301D-05 0.720D-03 0.272D-03 0.270D-02 0.428D-02 0.549D-01
 Coeff:      0.129D+00 0.424D+00 0.384D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.77D-08 MaxDP=1.02D-06 DE=-3.00D-11 OVMax= 1.80D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.28D-09    CP:  1.00D+00  9.65D-01  3.68D-01  6.48D-01  5.35D-01
                    CP:  9.06D-01  7.22D-01  7.34D-01  5.20D-01
 E= -1013.45132650179     Delta-E=        0.000000000021 Rises=F Damp=F
 DIIS: error= 1.81D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1013.45132650181     IErMin=10 ErrMin= 1.81D-08
 ErrMax= 1.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-13 BMatP= 4.80D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.950D-06 0.114D-03 0.550D-04 0.539D-03 0.104D-02 0.169D-01
 Coeff-Com:  0.438D-01 0.175D+00 0.186D+00 0.577D+00
 Coeff:     -0.950D-06 0.114D-03 0.550D-04 0.539D-03 0.104D-02 0.169D-01
 Coeff:      0.438D-01 0.175D+00 0.186D+00 0.577D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.65D-09 MaxDP=1.20D-07 DE= 2.09D-11 OVMax= 1.14D-07

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45132650     A.U. after   10 cycles
            NFock= 10  Conv=0.27D-08     -V/T= 2.0213
 KE= 9.923531544845D+02 PE=-6.028344289281D+03 EE= 2.174129776795D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:16:55 2016, MaxMem=  2952790016 cpu:      1384.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     358
 Leave Link  701 at Mon Nov 14 03:17:03 2016, MaxMem=  2952790016 cpu:        96.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:17:03 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:17:40 2016, MaxMem=  2952790016 cpu:       440.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21127717D+00-2.62209717D+00 3.29309316D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000111900    0.000428247   -0.000083831
      2        6           0.000222112    0.000160476    0.000313747
      3        8          -0.000062704   -0.000233852   -0.000140396
      4        7          -0.000103781    0.000266602    0.000136641
      5        1           0.000096683    0.000140374   -0.000131990
      6        6          -0.000081285   -0.000102449   -0.001001480
      7        1          -0.000040882   -0.000076151    0.000015605
      8        1           0.000133706   -0.000247506    0.000566323
      9        1           0.000073927    0.000338420    0.000238233
     10        6          -0.000084522    0.000073364    0.000154290
     11        1          -0.000151170   -0.000046109   -0.000157272
     12        1           0.000061892    0.000003452    0.000002492
     13        1           0.000047978    0.000031545    0.000016852
     14        6           0.000063407   -0.000033351   -0.000000056
     15        8           0.000013302   -0.000040199    0.000037065
     16        7           0.000004369    0.000111311   -0.000018821
     17        1           0.000029162   -0.000030666    0.000011441
     18        6          -0.000029556   -0.000177246    0.000071536
     19        1          -0.000009926    0.000190057   -0.000196340
     20        1          -0.000008900   -0.000004465   -0.000053823
     21        1          -0.000035723   -0.000054359   -0.000023650
     22        6           0.000017291   -0.000022891   -0.000065651
     23        1           0.000013090   -0.000032985   -0.000037701
     24        1           0.000058179    0.000097987   -0.000094821
     25        1           0.000009763    0.000035121   -0.000043642
     26        6           0.000110819    0.000064552   -0.000019481
     27        8          -0.000060025    0.000013571    0.000066327
     28        7           0.000032783    0.000030291    0.000072070
     29        1          -0.000016919   -0.000010257    0.000023886
     30        6          -0.000246827   -0.000241187   -0.000049291
     31        1           0.000051958    0.000078758    0.000034473
     32        1           0.000208940    0.000107736    0.000082897
     33        1          -0.000030277   -0.000017849    0.000014765
     34        6          -0.000007972   -0.000119334   -0.000014383
     35        1          -0.000024592   -0.000004062   -0.000004162
     36        1          -0.000014656    0.000035335    0.000012226
     37        1          -0.000008264   -0.000028579   -0.000012565
     38        6          -0.000237026   -0.000080626    0.000288183
     39        8           0.000043584   -0.000216244   -0.000213513
     40        7          -0.000192013   -0.000120878    0.000075187
     41        1           0.000066680   -0.000083425   -0.000073308
     42        6           0.000110294   -0.000755501    0.000161707
     43        1           0.000245673    0.000242343    0.000168580
     44        1           0.000283255    0.000061560   -0.000127277
     45        1          -0.000547563    0.000461534   -0.000169178
     46        6          -0.000275658    0.000154013    0.000182366
     47        1          -0.000089628   -0.000036595   -0.000018574
     48        1           0.000279230   -0.000281099   -0.000012617
     49        1          -0.000030109   -0.000028782    0.000016925
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001001480 RMS     0.000179489
 Leave Link  716 at Mon Nov 14 03:17:40 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000516722 RMS     0.000043636
 Search for a local minimum.
 Step number  69 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .43636D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   43   44   45   46   47
                                                     48   49   51   53   55
                                                     56   57   59   60   61
                                                     62   63   64   65   66
                                                     67   68   69
 DE=  4.24D-06 DEPred=-8.52D-07 R=-4.98D+00
 Trust test=-4.98D+00 RLast= 4.00D-01 DXMaxT set to 9.92D-02
 ITU= -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0
 ITU=  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00000   0.00003   0.00013   0.00056   0.00120
     Eigenvalues ---    0.00146   0.00184   0.00237   0.00352   0.00390
     Eigenvalues ---    0.00499   0.00543   0.00605   0.00639   0.00717
     Eigenvalues ---    0.00765   0.00799   0.00850   0.00999   0.01027
     Eigenvalues ---    0.01111   0.01149   0.01156   0.01244   0.01265
     Eigenvalues ---    0.01287   0.01388   0.01504   0.01564   0.01597
     Eigenvalues ---    0.01696   0.01719   0.01768   0.01816   0.01874
     Eigenvalues ---    0.01911   0.02002   0.02064   0.02108   0.02218
     Eigenvalues ---    0.02275   0.02345   0.02592   0.02974   0.03058
     Eigenvalues ---    0.03069   0.03805   0.03984   0.04266   0.04448
     Eigenvalues ---    0.04596   0.05253   0.05322   0.05606   0.05891
     Eigenvalues ---    0.06125   0.06296   0.06392   0.06539   0.06803
     Eigenvalues ---    0.06862   0.07223   0.07613   0.07945   0.07999
     Eigenvalues ---    0.08073   0.08145   0.08204   0.08387   0.08489
     Eigenvalues ---    0.08611   0.08772   0.08948   0.09146   0.09473
     Eigenvalues ---    0.09660   0.09723   0.09817   0.10010   0.10141
     Eigenvalues ---    0.10348   0.10444   0.10495   0.10737   0.10942
     Eigenvalues ---    0.11227   0.11229   0.11566   0.11647   0.13129
     Eigenvalues ---    0.13450   0.13888   0.14373   0.14631   0.15160
     Eigenvalues ---    0.15583   0.15776   0.19737   0.22083   0.22302
     Eigenvalues ---    0.23601   0.23685   0.24748   0.25294   0.25760
     Eigenvalues ---    0.26927   0.27435   0.28060   0.29235   0.29601
     Eigenvalues ---    0.29889   0.31905   0.32776   0.32792   0.32821
     Eigenvalues ---    0.32835   0.33291   0.33338   0.33373   0.33381
     Eigenvalues ---    0.33395   0.33423   0.33459   0.33479   0.33697
     Eigenvalues ---    0.33791   0.33815   0.33830   0.33921   0.33952
     Eigenvalues ---    0.34017   0.34111   0.34742   0.37277   0.38594
     Eigenvalues ---    0.40717   0.40901   0.85906   0.86074   0.86333
     Eigenvalues ---    0.88192
 Eigenvalue     1 is   1.34D-06 Eigenvector:
                         D486      D488      D487      D354      D355
   1                    0.17163   0.16576   0.15710  -0.15131  -0.13866
                         D356       R4        R3        R18      D357
   1                   -0.13237   0.13006   0.12215   0.12192  -0.11973
 Eigenvalue     2 is   3.41D-05 Eigenvector:
                         D375      D381      D383      D389      D373
   1                   -0.18897  -0.18653  -0.18644  -0.18300  -0.18049
                         D407      D397      D371      D395      D399
   1                   -0.17931  -0.17709  -0.17614  -0.17571  -0.17514
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    69   68   67   66   65
 RFO step:  Lambda=-6.59724580D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  8.95D-07 SmlDif=  1.00D-05
 RMS Error=  0.3115253906D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.49065    0.53414   -0.84148   -0.02167    0.83836
 Iteration  1 RMS(Cart)=  0.00244663 RMS(Int)=  0.00005250
 Iteration  2 RMS(Cart)=  0.00000931 RMS(Int)=  0.00004092
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00004092
 ITry= 1 IFail=0 DXMaxC= 2.73D-02 DCOld= 1.00D+10 DXMaxT= 9.92D-02 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58964  -0.00002  -0.00026  -0.00026  -0.00052   6.58911
    R2        6.25847   0.00007   0.00634  -0.00311   0.00324   6.26170
    R3        7.25651   0.00017   0.00459  -0.01323  -0.00866   7.24785
    R4        6.35621  -0.00007   0.00235  -0.02365  -0.02132   6.33490
    R5        6.53198  -0.00007  -0.00224   0.00131  -0.00091   6.53107
    R6        5.99516  -0.00003  -0.00736  -0.00189  -0.00924   5.98592
    R7        6.69463   0.00007   0.00258   0.00007   0.00265   6.69729
    R8        6.23294  -0.00001  -0.00109   0.00026  -0.00085   6.23209
    R9        6.65793   0.00006   0.00080  -0.00018   0.00061   6.65854
   R10        6.08262  -0.00003  -0.00247   0.00210  -0.00039   6.08223
   R11        6.96280  -0.00002  -0.00057  -0.00048  -0.00108   6.96173
   R12        6.03161  -0.00002  -0.00017  -0.00115  -0.00130   6.03030
   R13        6.87496   0.00003  -0.00157   0.00288   0.00132   6.87628
   R14        6.19687   0.00001  -0.00054  -0.00043  -0.00095   6.19592
   R15        6.87644  -0.00002   0.00027  -0.00171  -0.00140   6.87504
   R16        5.95865   0.00004   0.00264  -0.00367  -0.00104   5.95761
   R17        6.68834   0.00002  -0.00129   0.00324   0.00195   6.69028
   R18        6.63596  -0.00005   0.00690  -0.01077  -0.00384   6.63212
   R19        6.21036  -0.00003  -0.00104   0.00388   0.00297   6.21333
   R20        6.60225  -0.00013   0.00090   0.00042   0.00138   6.60363
   R21        6.08544   0.00012   0.00149  -0.00191  -0.00051   6.08493
   R22        6.95879   0.00013  -0.00725   0.01397   0.00690   6.96569
   R23        5.97984   0.00001  -0.00443   0.00874   0.00427   5.98411
   R24        2.34943   0.00030   0.00024  -0.00024   0.00000   2.34944
   R25        2.57166  -0.00013  -0.00034   0.00005  -0.00029   2.57137
   R26        2.09473   0.00003   0.00008   0.00009   0.00017   2.09490
   R27        2.76647  -0.00017  -0.00136   0.00065  -0.00068   2.76579
   R28        2.76858   0.00000  -0.00036   0.00045   0.00006   2.76865
   R29        2.07656  -0.00004   0.00010  -0.00008   0.00002   2.07658
   R30        2.08046   0.00047   0.00165  -0.00180  -0.00012   2.08034
   R31        2.08279   0.00006   0.00003  -0.00022  -0.00019   2.08260
   R32        2.08144  -0.00012  -0.00033  -0.00020  -0.00052   2.08092
   R33        2.07472   0.00000  -0.00009   0.00009   0.00000   2.07472
   R34        2.08348   0.00002  -0.00002  -0.00005  -0.00007   2.08341
   R35        2.34881   0.00007   0.00001   0.00000   0.00001   2.34882
   R36        2.57125   0.00010   0.00009   0.00002   0.00011   2.57136
   R37        2.09413   0.00001   0.00000   0.00001   0.00000   2.09413
   R38        2.76851   0.00003  -0.00010   0.00016   0.00010   2.76860
   R39        2.76472   0.00007   0.00012  -0.00005   0.00008   2.76480
   R40        2.08101   0.00016   0.00053  -0.00063  -0.00008   2.08093
   R41        2.08400   0.00001   0.00003  -0.00004  -0.00001   2.08398
   R42        2.07424   0.00000   0.00000  -0.00005  -0.00004   2.07420
   R43        2.08307   0.00004   0.00005  -0.00002   0.00002   2.08309
   R44        2.08314   0.00003   0.00034  -0.00045   0.00000   2.08314
   R45        2.07665  -0.00002   0.00000   0.00001   0.00000   2.07665
   R46        2.34839   0.00003   0.00011  -0.00020  -0.00009   2.34830
   R47        2.57171   0.00003   0.00016  -0.00011   0.00002   2.57173
   R48        2.09349   0.00000  -0.00001   0.00005   0.00003   2.09352
   R49        2.76469   0.00002   0.00025  -0.00012   0.00009   2.76478
   R50        2.76867  -0.00001   0.00020  -0.00017   0.00001   2.76868
   R51        2.08434   0.00000  -0.00003   0.00010   0.00007   2.08441
   R52        2.08328  -0.00017  -0.00056   0.00077   0.00009   2.08338
   R53        2.07601  -0.00003  -0.00002  -0.00012  -0.00014   2.07587
   R54        2.08527  -0.00002  -0.00005   0.00006   0.00001   2.08528
   R55        2.07353   0.00004   0.00011  -0.00013  -0.00002   2.07351
   R56        2.07805   0.00001  -0.00001   0.00000  -0.00001   2.07804
   R57        2.34815   0.00007   0.00020   0.00029   0.00049   2.34864
   R58        2.57173   0.00005   0.00010   0.00075   0.00065   2.57238
   R59        2.09566  -0.00003  -0.00002  -0.00020  -0.00022   2.09544
   R60        2.76989   0.00016  -0.00090   0.00094  -0.00006   2.76984
   R61        2.76468  -0.00002   0.00073   0.00053   0.00102   2.76571
   R62        2.07519  -0.00011   0.00010  -0.00040  -0.00030   2.07489
   R63        2.08379  -0.00006   0.00011   0.00004   0.00015   2.08394
   R64        2.08166  -0.00052  -0.00103  -0.00045  -0.00159   2.08007
   R65        2.07586   0.00005   0.00013   0.00003   0.00016   2.07602
   R66        2.08323   0.00026   0.00041   0.00071   0.00106   2.08429
   R67        2.08270   0.00002  -0.00002   0.00002   0.00000   2.08269
    A1        0.68053  -0.00004  -0.00070   0.00104   0.00034   0.68087
    A2        0.95699   0.00002  -0.00064   0.00055  -0.00009   0.95690
    A3        0.72745  -0.00003  -0.00002   0.00020   0.00018   0.72763
    A4        1.01902  -0.00004  -0.00010   0.00019   0.00009   1.01911
    A5        2.34355   0.00002   0.00074  -0.00190  -0.00116   2.34239
    A6        2.02585   0.00001   0.00067  -0.00172  -0.00105   2.02480
    A7        1.98342   0.00001   0.00026  -0.00108  -0.00082   1.98260
    A8        1.68993  -0.00001   0.00035  -0.00095  -0.00061   1.68932
    A9        1.65525   0.00000   0.00069  -0.00183  -0.00115   1.65410
   A10        1.37435  -0.00001   0.00057  -0.00177  -0.00124   1.37312
   A11        1.73124  -0.00002  -0.00006  -0.00045  -0.00049   1.73076
   A12        2.03519  -0.00002   0.00026  -0.00120  -0.00093   2.03426
   A13        1.93894  -0.00001   0.00076  -0.00226  -0.00149   1.93745
   A14        2.02297  -0.00001   0.00149  -0.00303  -0.00152   2.02145
   A15        2.43042  -0.00002   0.00031  -0.00098  -0.00066   2.42976
   A16        1.57512   0.00003  -0.00396   0.00768   0.00364   1.57876
   A17        1.77644   0.00003  -0.00291   0.00627   0.00337   1.77981
   A18        1.55777   0.00002  -0.00102   0.00366   0.00261   1.56038
   A19        1.69931  -0.00005  -0.00038   0.00128   0.00091   1.70022
   A20        2.18361   0.00002  -0.00227   0.00522   0.00302   2.18663
   A21        2.40082   0.00004  -0.00198   0.00479   0.00284   2.40366
   A22        0.64313   0.00002  -0.00099   0.00204   0.00105   0.64419
   A23        0.65848  -0.00001  -0.00010   0.00018   0.00007   0.65856
   A24        2.39299   0.00002   0.00048  -0.00173  -0.00125   2.39175
   A25        2.22289   0.00002   0.00034  -0.00171  -0.00136   2.22153
   A26        2.32523   0.00001   0.00002  -0.00114  -0.00112   2.32411
   A27        2.06079  -0.00002   0.00017  -0.00096  -0.00079   2.05999
   A28        1.81567   0.00000   0.00030  -0.00174  -0.00145   1.81422
   A29        1.57569  -0.00001   0.00018  -0.00174  -0.00159   1.57410
   A30        1.33807  -0.00001   0.00016  -0.00068  -0.00050   1.33757
   A31        1.63608   0.00000   0.00034  -0.00119  -0.00084   1.63525
   A32        1.58408   0.00001   0.00059  -0.00182  -0.00121   1.58287
   A33        1.73240   0.00001   0.00113  -0.00228  -0.00114   1.73126
   A34        2.03362   0.00000   0.00050  -0.00123  -0.00071   2.03291
   A35        1.83529   0.00002  -0.00400   0.00727   0.00322   1.83850
   A36        1.90545   0.00001  -0.00240   0.00498   0.00259   1.90803
   A37        1.55983  -0.00001  -0.00090   0.00300   0.00206   1.56189
   A38        1.58051  -0.00004  -0.00005   0.00042   0.00037   1.58088
   A39        2.26602   0.00000  -0.00071   0.00242   0.00176   2.26778
   A40        2.35661   0.00002  -0.00048   0.00187   0.00141   2.35802
   A41        0.68862  -0.00003  -0.00031   0.00086   0.00055   0.68917
   A42        0.74467  -0.00001  -0.00013   0.00070   0.00057   0.74524
   A43        2.65620  -0.00001   0.00031  -0.00059  -0.00027   2.65593
   A44        2.60132  -0.00002  -0.00007  -0.00055  -0.00061   2.60070
   A45        2.66240  -0.00003  -0.00043  -0.00006  -0.00047   2.66193
   A46        2.35755  -0.00005  -0.00033   0.00001  -0.00031   2.35724
   A47        2.19422  -0.00004  -0.00012  -0.00057  -0.00070   2.19352
   A48        1.96092  -0.00005  -0.00026  -0.00059  -0.00087   1.96004
   A49        1.09391   0.00001   0.00030  -0.00057  -0.00025   1.09366
   A50        1.45320   0.00001   0.00040  -0.00075  -0.00033   1.45287
   A51        1.55181   0.00001   0.00047  -0.00076  -0.00028   1.55154
   A52        1.78456  -0.00001   0.00078  -0.00085  -0.00007   1.78449
   A53        1.78122   0.00002   0.00071  -0.00105  -0.00033   1.78089
   A54        1.69228   0.00004  -0.00367   0.00543   0.00171   1.69399
   A55        1.63316   0.00005  -0.00177   0.00276   0.00100   1.63416
   A56        1.23544   0.00002  -0.00064   0.00151   0.00081   1.23624
   A57        1.20665   0.00000   0.00036  -0.00091  -0.00058   1.20607
   A58        1.93406   0.00004   0.00030  -0.00014   0.00021   1.93427
   A59        1.97900   0.00005   0.00014   0.00019   0.00035   1.97934
   A60        0.84071   0.00000  -0.00172   0.00385   0.00214   0.84285
   A61        0.77566   0.00000  -0.00192   0.00480   0.00289   0.77855
   A62        2.59773  -0.00003  -0.00121   0.00358   0.00239   2.60012
   A63        2.76739   0.00000  -0.00167   0.00328   0.00163   2.76902
   A64        2.61525   0.00001   0.00040  -0.00199  -0.00161   2.61364
   A65        2.39381   0.00000  -0.00149   0.00246   0.00096   2.39477
   A66        2.20029   0.00000  -0.00125   0.00143   0.00015   2.20044
   A67        0.85205  -0.00004  -0.00074   0.00229   0.00159   0.85364
   A68        1.22790  -0.00004  -0.00077   0.00242   0.00168   1.22959
   A69        1.40588  -0.00003  -0.00122   0.00363   0.00243   1.40831
   A70        1.67510  -0.00005  -0.00113   0.00386   0.00274   1.67784
   A71        1.51874  -0.00003   0.00012   0.00077   0.00092   1.51966
   A72        1.70656   0.00006  -0.00138  -0.00025  -0.00165   1.70491
   A73        1.54338   0.00003   0.00042  -0.00253  -0.00211   1.54127
   A74        1.11577   0.00000   0.00096  -0.00289  -0.00200   1.11376
   A75        1.00981  -0.00002   0.00167  -0.00419  -0.00257   1.00724
   A76        1.76771   0.00001   0.00238  -0.00476  -0.00232   1.76539
   A77        1.75491   0.00000   0.00157  -0.00295  -0.00134   1.75357
   A78        1.99464   0.00001   0.00052  -0.00151  -0.00099   1.99365
   A79        1.94045   0.00001   0.00030  -0.00138  -0.00107   1.93937
   A80        2.22064   0.00000   0.00001  -0.00098  -0.00097   2.21967
   A81        2.07868  -0.00002   0.00023  -0.00080  -0.00058   2.07810
   A82        1.55316   0.00000   0.00022  -0.00135  -0.00114   1.55202
   A83        1.38772  -0.00002   0.00008  -0.00133  -0.00128   1.38643
   A84        1.19847   0.00000   0.00050  -0.00186  -0.00133   1.19714
   A85        1.38202   0.00001   0.00065  -0.00229  -0.00162   1.38040
   A86        1.21261   0.00001   0.00082  -0.00257  -0.00173   1.21087
   A87        1.31458   0.00001   0.00132  -0.00276  -0.00142   1.31315
   A88        1.80847   0.00001   0.00076  -0.00251  -0.00173   1.80674
   A89        2.26649   0.00002  -0.00410   0.00751   0.00337   2.26987
   A90        2.31502   0.00002  -0.00223   0.00415   0.00193   2.31694
   A91        1.92340   0.00000  -0.00100   0.00230   0.00127   1.92468
   A92        1.84997  -0.00001  -0.00007  -0.00052  -0.00058   1.84939
   A93        2.60805   0.00001   0.00054  -0.00061  -0.00003   2.60801
   A94        2.54714   0.00001   0.00100  -0.00212  -0.00110   2.54604
   A95        1.91247   0.00001   0.00047  -0.00129  -0.00082   1.91165
   A96        1.99411   0.00000   0.00022  -0.00129  -0.00108   1.99304
   A97        2.37123  -0.00001   0.00001  -0.00112  -0.00111   2.37012
   A98        2.32630  -0.00003   0.00024  -0.00103  -0.00081   2.32549
   A99        1.66668  -0.00002   0.00011  -0.00127  -0.00118   1.66550
   A100       1.57434  -0.00003  -0.00002  -0.00133  -0.00138   1.57296
   A101       0.89173   0.00002   0.00059  -0.00183  -0.00123   0.89050
   A102       1.05989   0.00002   0.00066  -0.00211  -0.00143   1.05846
   A103       0.92765   0.00002   0.00074  -0.00214  -0.00138   0.92627
   A104       1.08511   0.00001   0.00110  -0.00208  -0.00098   1.08414
   A105       1.48625   0.00002   0.00078  -0.00233  -0.00154   1.48471
   A106       2.43637   0.00003  -0.00385   0.00626   0.00238   2.43875
   A107       2.31644   0.00003  -0.00133   0.00176   0.00045   2.31688
   A108       1.88545   0.00000  -0.00095   0.00146   0.00048   1.88593
   A109       1.71731   0.00002  -0.00004  -0.00089  -0.00093   1.71638
   A110       2.44605   0.00003   0.00194  -0.00360  -0.00165   2.44440
   A111       2.28357   0.00002   0.00162  -0.00344  -0.00182   2.28175
   A112       0.71380   0.00001  -0.00015  -0.00001  -0.00014   0.71366
   A113       1.00493   0.00003   0.00000  -0.00017  -0.00015   1.00477
   A114       0.69524   0.00002   0.00000  -0.00003  -0.00004   0.69520
   A115       0.98256   0.00003   0.00009  -0.00011   0.00002   0.98257
   A116       1.80668   0.00000   0.00041  -0.00059  -0.00020   1.80649
   A117       1.42539  -0.00001   0.00028  -0.00035  -0.00009   1.42530
   A118       1.19418  -0.00001   0.00015  -0.00030  -0.00016   1.19402
   A119       0.92283   0.00001  -0.00011  -0.00022  -0.00032   0.92251
   A120       1.24898  -0.00002  -0.00011  -0.00001  -0.00014   1.24884
   A121       1.93182  -0.00004   0.00325  -0.00462  -0.00134   1.93048
   A122       1.97305  -0.00003   0.00176  -0.00279  -0.00105   1.97200
   A123       2.32734  -0.00002   0.00037  -0.00136  -0.00092   2.32642
   A124       2.23950   0.00003  -0.00039   0.00071   0.00032   2.23983
   A125       1.62380  -0.00002   0.00029  -0.00084  -0.00059   1.62320
   A126       1.49421  -0.00005   0.00063  -0.00152  -0.00091   1.49330
   A127       0.65524   0.00002   0.00023  -0.00021   0.00003   0.65527
   A128       0.66039   0.00002   0.00014   0.00004   0.00021   0.66059
   A129       2.17157   0.00001   0.00030  -0.00097  -0.00067   2.17090
   A130       1.79836   0.00000   0.00016  -0.00065  -0.00049   1.79787
   A131       1.50741   0.00000   0.00009  -0.00086  -0.00078   1.50663
   A132       1.21620   0.00002   0.00002  -0.00095  -0.00092   1.21528
   A133       1.64223  -0.00001  -0.00025   0.00005  -0.00022   1.64201
   A134       1.77691  -0.00004   0.00268  -0.00264   0.00005   1.77697
   A135       1.97178  -0.00003   0.00121  -0.00073   0.00047   1.97225
   A136       2.40003   0.00000   0.00071  -0.00039   0.00037   2.40040
   A137       2.47510   0.00002  -0.00032   0.00149   0.00121   2.47631
   A138       1.73334  -0.00002  -0.00065   0.00152   0.00082   1.73417
   A139       1.70199  -0.00003   0.00000   0.00018   0.00016   1.70215
   A140       0.70455   0.00001  -0.00009   0.00015   0.00007   0.70462
   A141       0.83294   0.00002  -0.00006   0.00035   0.00031   0.83325
   A142       2.49713   0.00001   0.00017  -0.00007   0.00012   2.49725
   A143       2.11771   0.00001   0.00008   0.00005   0.00013   2.11784
   A144       1.90349   0.00000   0.00001  -0.00049  -0.00047   1.90303
   A145       1.62084   0.00002  -0.00013  -0.00060  -0.00071   1.62013
   A146       1.83379   0.00000  -0.00028   0.00087   0.00058   1.83437
   A147       1.35125  -0.00004   0.00263  -0.00241   0.00023   1.35148
   A148       1.58505  -0.00003   0.00095   0.00018   0.00112   1.58617
   A149       2.01510   0.00001   0.00089   0.00002   0.00093   2.01603
   A150       2.19014   0.00000   0.00004   0.00189   0.00193   2.19207
   A151       1.43646  -0.00002  -0.00127   0.00321   0.00191   1.43837
   A152       1.50368  -0.00001  -0.00058   0.00200   0.00140   1.50508
   A153       0.76474   0.00001   0.00032  -0.00015   0.00018   0.76491
   A154       0.76633   0.00001   0.00033   0.00015   0.00049   0.76682
   A155       2.80895   0.00003   0.00025  -0.00044  -0.00013   2.80881
   A156       2.42672   0.00003   0.00019  -0.00027  -0.00007   2.42665
   A157       2.16160   0.00002   0.00035  -0.00117  -0.00081   2.16079
   A158       1.86908   0.00004   0.00033  -0.00130  -0.00095   1.86813
   A159       2.14431   0.00002  -0.00039   0.00100   0.00061   2.14492
   A160       1.21410  -0.00004   0.00138  -0.00026   0.00113   1.21522
   A161       1.53358  -0.00003  -0.00014   0.00207   0.00194   1.53552
   A162       1.93101   0.00001   0.00046   0.00098   0.00147   1.93248
   A163       2.18888  -0.00003  -0.00024   0.00232   0.00208   2.19096
   A164       1.50947  -0.00001  -0.00232   0.00495   0.00263   1.51210
   A165       1.65448   0.00001  -0.00145   0.00346   0.00201   1.65649
   A166       2.16451   0.00001   0.00048  -0.00203  -0.00155   2.16296
   A167       1.86488   0.00001   0.00035  -0.00161  -0.00127   1.86361
   A168       1.48093   0.00000   0.00030  -0.00179  -0.00149   1.47945
   A169       1.20097   0.00003   0.00047  -0.00195  -0.00147   1.19950
   A170       1.86976   0.00000  -0.00006  -0.00081  -0.00088   1.86888
   A171       1.97821  -0.00003   0.00158  -0.00020   0.00140   1.97961
   A172       2.27988  -0.00002   0.00060   0.00100   0.00160   2.28147
   A173       2.69512   0.00002   0.00078   0.00075   0.00156   2.69668
   A174       2.12108  -0.00001  -0.00096   0.00238   0.00139   2.12247
   A175       2.10958  -0.00002   0.00004   0.00023   0.00025   2.10983
   A176       2.27314   0.00000   0.00057  -0.00275  -0.00218   2.27096
   A177       2.05245   0.00001   0.00050  -0.00230  -0.00180   2.05065
   A178       1.64330   0.00000   0.00047  -0.00245  -0.00198   1.64133
   A179       1.39081   0.00003   0.00076  -0.00257  -0.00180   1.38901
   A180       2.13566   0.00000   0.00009  -0.00129  -0.00118   2.13447
   A181       1.90786  -0.00002   0.00046   0.00205   0.00254   1.91039
   A182       2.27826  -0.00001  -0.00029   0.00316   0.00290   2.28116
   A183       2.59529   0.00002   0.00045   0.00199   0.00250   2.59780
   A184       2.25954   0.00000  -0.00165   0.00431   0.00266   2.26219
   A185       2.32728   0.00000  -0.00037   0.00161   0.00125   2.32853
   A186       0.69139   0.00001   0.00022  -0.00022  -0.00001   0.69138
   A187       0.98209  -0.00002   0.00017  -0.00007   0.00007   0.98216
   A188       0.69990   0.00001   0.00035  -0.00044  -0.00010   0.69980
   A189       2.10201   0.00003  -0.00119   0.00080  -0.00033   2.10169
   A190       1.72528   0.00001  -0.00004  -0.00083  -0.00087   1.72441
   A191       1.39488  -0.00002  -0.00120   0.00093  -0.00030   1.39458
   A192       1.09088   0.00004  -0.00073   0.00038  -0.00038   1.09051
   A193       1.61728   0.00001   0.00201  -0.00339  -0.00140   1.61588
   A194       1.40043  -0.00001   0.00122  -0.00209  -0.00089   1.39954
   A195       0.66700  -0.00002  -0.00016   0.00032   0.00013   0.66713
   A196       2.25226   0.00001   0.00039  -0.00167  -0.00117   2.25108
   A197       1.85546   0.00000   0.00076  -0.00217  -0.00142   1.85403
   A198       1.63452  -0.00003  -0.00096   0.00030  -0.00068   1.63384
   A199       1.31504   0.00005  -0.00072   0.00043  -0.00032   1.31472
   A200       1.60964   0.00000   0.00222  -0.00389  -0.00171   1.60793
   A201       1.33882  -0.00003   0.00150  -0.00277  -0.00129   1.33753
   A202       0.71004  -0.00001  -0.00015   0.00009  -0.00007   0.70996
   A203       2.63896   0.00001   0.00107  -0.00268  -0.00141   2.63755
   A204       2.25284   0.00000   0.00096  -0.00240  -0.00145   2.25139
   A205       2.04459  -0.00002  -0.00095   0.00046  -0.00053   2.04406
   A206       1.72553   0.00005  -0.00067   0.00048  -0.00024   1.72529
   A207       1.95016   0.00000   0.00209  -0.00371  -0.00168   1.94848
   A208       1.66505  -0.00003   0.00148  -0.00281  -0.00136   1.66368
   A209       0.83592  -0.00003  -0.00070   0.00058  -0.00015   0.83577
   A210       2.68356  -0.00002   0.00220  -0.00445  -0.00209   2.68148
   A211       2.38490  -0.00003   0.00094  -0.00271  -0.00179   2.38311
   A212       2.28939  -0.00005  -0.00117   0.00051  -0.00071   2.28868
   A213       1.97247   0.00003  -0.00101   0.00091  -0.00017   1.97231
   A214       2.00933  -0.00002   0.00126  -0.00293  -0.00175   2.00758
   A215       1.73004  -0.00005   0.00087  -0.00240  -0.00157   1.72847
   A216       1.93179   0.00001   0.00164  -0.00318  -0.00145   1.93034
   A217       1.56318   0.00000   0.00146  -0.00296  -0.00151   1.56166
   A218       1.48799  -0.00002  -0.00038  -0.00043  -0.00082   1.48717
   A219       1.19540   0.00007  -0.00042   0.00051   0.00006   1.19545
   A220       1.24051   0.00001   0.00225  -0.00380  -0.00160   1.23890
   A221       0.95637  -0.00003   0.00161  -0.00286  -0.00127   0.95511
   A222       0.72028   0.00005  -0.00055   0.00077   0.00020   0.72048
   A223       1.01179  -0.00001  -0.00052   0.00067   0.00014   1.01193
   A224       0.69839   0.00000   0.00008  -0.00007  -0.00002   0.69837
   A225       0.98425   0.00003   0.00052  -0.00078  -0.00027   0.98399
   A226       0.65655  -0.00001   0.00008  -0.00004   0.00001   0.65656
   A227       0.66476   0.00002   0.00040  -0.00065  -0.00028   0.66447
   A228       0.70724   0.00001   0.00053  -0.00089  -0.00040   0.70684
   A229       0.84781   0.00002  -0.00058   0.00066   0.00005   0.84786
   A230       0.76037   0.00002   0.00103  -0.00075   0.00024   0.76061
   A231       0.77613   0.00006  -0.00038   0.00150   0.00106   0.77719
   A232       1.59195  -0.00006  -0.00444   0.00189  -0.00255   1.58940
   A233       1.85704   0.00015   0.00420  -0.00389   0.00030   1.85734
   A234       2.19030   0.00001   0.00029  -0.00047  -0.00015   2.19015
   A235       2.12891   0.00000  -0.00009  -0.00003  -0.00017   2.12874
   A236       1.96351  -0.00001  -0.00016   0.00041   0.00028   1.96379
   A237       2.12447   0.00005  -0.00076  -0.00001  -0.00078   2.12369
   A238       2.12682  -0.00007  -0.00027   0.00091   0.00062   2.12744
   A239       2.03141   0.00002   0.00083  -0.00097  -0.00013   2.03127
   A240       1.83762  -0.00005  -0.00747   0.01316   0.00568   1.84330
   A241       2.53626   0.00010   0.00804  -0.01372  -0.00568   2.53057
   A242       1.91481  -0.00004  -0.00060   0.00035  -0.00030   1.91451
   A243       1.91851  -0.00009  -0.00245   0.00303   0.00058   1.91909
   A244       1.91159   0.00010   0.00377  -0.00283   0.00103   1.91262
   A245       1.91069   0.00001  -0.00116   0.00046  -0.00066   1.91004
   A246       1.90887  -0.00005  -0.00068   0.00042  -0.00028   1.90860
   A247       1.89925   0.00007   0.00114  -0.00145  -0.00038   1.89886
   A248       1.27731  -0.00003  -0.00025   0.00299   0.00275   1.28005
   A249       1.90324   0.00004   0.00037  -0.00066  -0.00031   1.90293
   A250       1.90905   0.00003  -0.00017   0.00027   0.00012   1.90917
   A251       1.92831  -0.00001  -0.00003  -0.00006  -0.00009   1.92822
   A252       1.91168  -0.00004  -0.00005   0.00025   0.00020   1.91188
   A253       1.89864  -0.00001  -0.00022   0.00002  -0.00019   1.89845
   A254       1.91279  -0.00002   0.00010   0.00017   0.00027   1.91307
   A255       1.71982   0.00004   0.00031   0.00098   0.00129   1.72111
   A256       1.76518   0.00002   0.00108  -0.00132  -0.00024   1.76493
   A257       2.19081   0.00001  -0.00010   0.00031   0.00021   2.19102
   A258       2.13018  -0.00002  -0.00018   0.00007  -0.00010   2.13008
   A259       1.96198   0.00001   0.00027  -0.00038  -0.00011   1.96187
   A260       2.12459   0.00001   0.00022  -0.00018   0.00006   2.12465
   A261       2.12273   0.00001   0.00024  -0.00028  -0.00003   2.12270
   A262       2.03546  -0.00002  -0.00040   0.00044   0.00002   2.03549
   A263       1.34514   0.00004   0.00249  -0.00181   0.00068   1.34582
   A264       1.90050  -0.00003  -0.00004  -0.00014  -0.00019   1.90031
   A265       1.93137   0.00003  -0.00005   0.00018   0.00013   1.93150
   A266       1.90993   0.00000   0.00009  -0.00016  -0.00007   1.90986
   A267       1.89728   0.00001  -0.00011   0.00017   0.00006   1.89733
   A268       1.91302   0.00001   0.00011  -0.00019  -0.00007   1.91295
   A269       1.91161  -0.00002   0.00001   0.00013   0.00015   1.91175
   A270       2.66509   0.00001   0.00021  -0.00084  -0.00062   2.66447
   A271       1.69826   0.00000  -0.00019   0.00091   0.00072   1.69898
   A272       1.92477   0.00000   0.00009  -0.00042  -0.00034   1.92443
   A273       1.91303   0.00002   0.00002   0.00027   0.00034   1.91337
   A274       1.91339   0.00000  -0.00010   0.00021   0.00012   1.91350
   A275       1.89409   0.00001   0.00004   0.00007   0.00009   1.89418
   A276       1.91089   0.00000   0.00002  -0.00008  -0.00007   1.91083
   A277       1.90748  -0.00002  -0.00007  -0.00005  -0.00014   1.90734
   A278       1.80293  -0.00001  -0.00199   0.00407   0.00208   1.80501
   A279       1.75583  -0.00002   0.00094  -0.00238  -0.00144   1.75439
   A280       2.18996  -0.00002   0.00024   0.00035   0.00058   2.19054
   A281       2.13024   0.00002  -0.00021  -0.00003  -0.00024   2.13000
   A282       1.96292   0.00000  -0.00004  -0.00030  -0.00034   1.96258
   A283       2.12267   0.00001   0.00047  -0.00062  -0.00015   2.12252
   A284       2.11524   0.00003   0.00071  -0.00038   0.00033   2.11557
   A285       2.04242  -0.00003  -0.00113   0.00080  -0.00033   2.04209
   A286       2.68971   0.00002   0.00095   0.00000   0.00095   2.69066
   A287       1.66965  -0.00002  -0.00080   0.00029  -0.00050   1.66915
   A288       1.92631   0.00000  -0.00104   0.00108   0.00005   1.92636
   A289       1.91624   0.00000  -0.00015   0.00016  -0.00004   1.91620
   A290       1.91227  -0.00002   0.00030  -0.00054  -0.00023   1.91203
   A291       1.89020   0.00000   0.00030   0.00008   0.00040   1.89060
   A292       1.91245   0.00000   0.00017  -0.00056  -0.00039   1.91206
   A293       1.90614   0.00001   0.00043  -0.00022   0.00022   1.90636
   A294       1.35553   0.00001   0.00071   0.00151   0.00221   1.35775
   A295       1.15046   0.00000  -0.00056  -0.00033  -0.00089   1.14957
   A296       1.93214   0.00000  -0.00037   0.00044   0.00007   1.93221
   A297       1.90681  -0.00001   0.00002  -0.00029  -0.00027   1.90655
   A298       1.90255   0.00001   0.00014   0.00006   0.00020   1.90275
   A299       1.90971   0.00000   0.00007  -0.00020  -0.00013   1.90958
   A300       1.89781   0.00000  -0.00002  -0.00008  -0.00009   1.89772
   A301       1.91474   0.00000   0.00016   0.00007   0.00023   1.91497
   A302       1.69260  -0.00019   0.00244  -0.00699  -0.00458   1.68802
   A303       1.78276  -0.00002  -0.00197   0.00359   0.00164   1.78441
   A304       2.18995  -0.00005  -0.00065   0.00205   0.00128   2.19123
   A305       2.12987   0.00005   0.00029  -0.00008   0.00022   2.13008
   A306       1.96313   0.00000   0.00032  -0.00195  -0.00153   1.96160
   A307       2.12346   0.00004   0.00006  -0.00030  -0.00014   2.12332
   A308       2.12383  -0.00001  -0.00066   0.00082   0.00011   2.12394
   A309       2.03447  -0.00004   0.00058  -0.00072  -0.00008   2.03439
   A310       1.30296   0.00008   0.00284   0.00017   0.00293   1.30589
   A311       3.05396   0.00000  -0.00141  -0.00031  -0.00171   3.05225
   A312       1.90755   0.00006   0.00158   0.00025   0.00189   1.90944
   A313       1.92942  -0.00003   0.00006  -0.00199  -0.00154   1.92788
   A314       1.89960   0.00016   0.00153   0.00005   0.00161   1.90121
   A315       1.91302  -0.00008  -0.00131   0.00052  -0.00098   1.91205
   A316       1.91322  -0.00002  -0.00084  -0.00003  -0.00096   1.91226
   A317       1.90092  -0.00009  -0.00103   0.00121  -0.00002   1.90090
   A318       1.75404   0.00003  -0.00773   0.00990   0.00217   1.75622
   A319       1.91546   0.00000  -0.00061   0.00066   0.00002   1.91548
   A320       1.91483  -0.00004  -0.00016  -0.00063  -0.00075   1.91407
   A321       1.92212   0.00003   0.00048  -0.00002   0.00046   1.92258
   A322       1.90610   0.00000  -0.00107   0.00088  -0.00019   1.90591
   A323       1.91029  -0.00001   0.00082  -0.00057   0.00026   1.91055
   A324       1.89484   0.00002   0.00054  -0.00033   0.00021   1.89504
   A325       2.94041   0.00003  -0.00037  -0.00053  -0.00091   2.93950
   A326       3.35455  -0.00005   0.00031  -0.00055  -0.00024   3.35432
   A327       3.07366  -0.00006   0.00019  -0.00049  -0.00032   3.07334
   A328       3.19010  -0.00004  -0.00015   0.00317   0.00302   3.19312
   A329       3.25674   0.00002   0.00250  -0.00167   0.00083   3.25757
   A330       3.26525   0.00001   0.00077   0.00131   0.00208   3.26733
   A331       3.66434   0.00003  -0.00691   0.00934   0.00244   3.66677
   A332       3.21642  -0.00001  -0.00229   0.00494   0.00265   3.21908
   A333       2.98739  -0.00003   0.00012   0.00218   0.00232   2.98971
   A334       2.92106  -0.00003   0.00018   0.00233   0.00253   2.92359
   A335       3.22262   0.00002   0.00346  -0.00017   0.00330   3.22592
   A336       3.08034  -0.00002  -0.00050   0.00049  -0.00001   3.08033
   A337       3.10224   0.00000  -0.00022   0.00025   0.00002   3.10227
   A338       3.03996   0.00002  -0.00044   0.00031  -0.00014   3.03982
    D1        2.75616  -0.00001   0.00185  -0.00013   0.00173   2.75789
    D2       -1.36377   0.00000   0.00100  -0.00034   0.00067  -1.36310
    D3        2.78128  -0.00002  -0.00011   0.00454   0.00444   2.78572
    D4       -1.33866  -0.00001  -0.00096   0.00433   0.00338  -1.33527
    D5        1.66111  -0.00002   0.00193  -0.00077   0.00115   1.66225
    D6       -2.45883   0.00000   0.00108  -0.00098   0.00009  -2.45874
    D7        1.84385  -0.00003   0.00209  -0.00123   0.00085   1.84470
    D8       -2.27608  -0.00001   0.00123  -0.00144  -0.00021  -2.27629
    D9        0.32373   0.00002   0.00195  -0.00069   0.00125   0.32498
   D10        2.48698   0.00003   0.00109  -0.00090   0.00020   2.48718
   D11        0.03498   0.00000   0.00220  -0.00060   0.00159   0.03658
   D12        2.19824   0.00001   0.00134  -0.00081   0.00054   2.19877
   D13       -0.43515  -0.00001   0.00219  -0.00039   0.00179  -0.43336
   D14        1.72810   0.00000   0.00133  -0.00060   0.00073   1.72884
   D15       -0.55587  -0.00002   0.00200  -0.00056   0.00144  -0.55443
   D16        1.60738   0.00000   0.00115  -0.00077   0.00038   1.60777
   D17        0.21230  -0.00001   0.00239  -0.00086   0.00152   0.21383
   D18        2.37556   0.00001   0.00154  -0.00107   0.00046   2.37602
   D19        0.14597  -0.00001   0.00245  -0.00071   0.00173   0.14771
   D20        2.30923   0.00001   0.00160  -0.00092   0.00068   2.30990
   D21        2.40484  -0.00001   0.00306  -0.00354  -0.00049   2.40435
   D22       -1.71510   0.00001   0.00220  -0.00375  -0.00155  -1.71664
   D23        2.15970   0.00000   0.00326  -0.00412  -0.00086   2.15883
   D24       -1.96024   0.00001   0.00240  -0.00433  -0.00192  -1.96216
   D25        1.71918  -0.00001   0.00301  -0.00361  -0.00060   1.71858
   D26       -2.40076   0.00001   0.00215  -0.00382  -0.00166  -2.40241
   D27        1.41251   0.00003   0.00308  -0.00363  -0.00052   1.41199
   D28       -2.70742   0.00004   0.00222  -0.00384  -0.00158  -2.70900
   D29        2.36678  -0.00002   0.00354  -0.00578  -0.00225   2.36453
   D30       -1.75315  -0.00001   0.00268  -0.00599  -0.00331  -1.75646
   D31       -1.76785   0.00002   0.00110  -0.00131  -0.00017  -1.76803
   D32        0.39540   0.00004   0.00024  -0.00152  -0.00123   0.39417
   D33       -2.11335   0.00001   0.00240  -0.00322  -0.00082  -2.11417
   D34        0.04990   0.00002   0.00155  -0.00343  -0.00188   0.04802
   D35       -2.48794  -0.00002   0.00167  -0.00197  -0.00034  -2.48828
   D36       -0.32469  -0.00001   0.00082  -0.00218  -0.00140  -0.32609
   D37       -2.77509   0.00003   0.00227  -0.00304  -0.00080  -2.77588
   D38       -0.61183   0.00004   0.00142  -0.00325  -0.00185  -0.61369
   D39       -2.13537   0.00000   0.00488  -0.00663  -0.00175  -2.13712
   D40        0.02788   0.00001   0.00402  -0.00684  -0.00281   0.02507
   D41       -2.38517  -0.00004   0.00465  -0.00675  -0.00213  -2.38729
   D42       -0.22191  -0.00003   0.00379  -0.00696  -0.00318  -0.22510
   D43        1.25955  -0.00001   0.00281  -0.00591  -0.00310   1.25646
   D44       -1.92080  -0.00002  -0.00193  -0.01189  -0.01381  -1.93462
   D45        2.45456   0.00000   0.00362  -0.00713  -0.00352   2.45104
   D46       -0.72580  -0.00001  -0.00112  -0.01310  -0.01424  -0.74004
   D47        2.94154  -0.00002   0.00366  -0.00777  -0.00412   2.93742
   D48       -0.23882  -0.00003  -0.00108  -0.01375  -0.01484  -0.25366
   D49        2.86663  -0.00003   0.00295  -0.00792  -0.00498   2.86165
   D50       -0.31373  -0.00004  -0.00179  -0.01390  -0.01570  -0.32943
   D51        2.05292  -0.00003   0.00316  -0.00705  -0.00391   2.04901
   D52       -1.12744  -0.00004  -0.00158  -0.01303  -0.01463  -1.14207
   D53        1.16065   0.00001   0.00349  -0.00648  -0.00292   1.15773
   D54       -2.01971   0.00000  -0.00126  -0.01245  -0.01364  -2.03335
   D55        1.01874   0.00000   0.00308  -0.00656  -0.00345   1.01529
   D56       -2.16162  -0.00001  -0.00166  -0.01253  -0.01416  -2.17579
   D57        2.02200  -0.00002   0.00342  -0.00719  -0.00377   2.01823
   D58       -1.15836  -0.00003  -0.00132  -0.01316  -0.01449  -1.17284
   D59        1.82688  -0.00001   0.00345  -0.00692  -0.00347   1.82340
   D60       -1.35348  -0.00002  -0.00129  -0.01290  -0.01419  -1.36767
   D61       -2.27442   0.00000   0.00424  -0.00992  -0.00569  -2.28010
   D62        0.82841  -0.00001  -0.00050  -0.01590  -0.01640   0.81201
   D63       -2.41226   0.00000   0.00413  -0.00976  -0.00563  -2.41789
   D64        0.69056  -0.00002  -0.00061  -0.01574  -0.01634   0.67422
   D65       -2.81492  -0.00001   0.00414  -0.00989  -0.00573  -2.82065
   D66        0.28791  -0.00002  -0.00060  -0.01586  -0.01645   0.27146
   D67       -2.99453   0.00001   0.00451  -0.01017  -0.00562  -3.00015
   D68        0.10830  -0.00001  -0.00023  -0.01614  -0.01634   0.09196
   D69       -2.13821  -0.00002   0.00395  -0.00976  -0.00582  -2.14402
   D70        0.96462  -0.00003  -0.00080  -0.01574  -0.01653   0.94809
   D71       -0.16685   0.00001   0.00479  -0.01179  -0.00692  -0.17378
   D72        2.93597  -0.00001   0.00005  -0.01776  -0.01764   2.91833
   D73       -0.56188  -0.00001   0.00508  -0.01227  -0.00718  -0.56906
   D74        2.54095  -0.00002   0.00034  -0.01824  -0.01789   2.52305
   D75       -0.73217  -0.00004   0.00304  -0.00941  -0.00636  -0.73853
   D76        2.37066  -0.00005  -0.00170  -0.01538  -0.01708   2.35358
   D77       -1.07107   0.00004   0.00320  -0.00900  -0.00583  -1.07690
   D78        2.03176   0.00003  -0.00154  -0.01497  -0.01655   2.01522
   D79       -0.84454   0.00000   0.00664  -0.01422  -0.00762  -0.85216
   D80        2.25829  -0.00001   0.00189  -0.02019  -0.01834   2.23995
   D81       -1.14963  -0.00004   0.00597  -0.01328  -0.00733  -1.15697
   D82        1.95319  -0.00005   0.00123  -0.01926  -0.01805   1.93514
   D83       -1.53739  -0.00001   0.00120   0.00022   0.00143  -1.53597
   D84       -2.61365   0.00002   0.00218  -0.00086   0.00133  -2.61232
   D85       -2.95037  -0.00006   0.00054   0.00328   0.00384  -2.94653
   D86        0.73440   0.00001   0.00178  -0.00114   0.00065   0.73505
   D87        0.31059  -0.00001   0.00189  -0.00090   0.00100   0.31158
   D88       -0.06287  -0.00002   0.00165  -0.00031   0.00133  -0.06154
   D89       -0.40070  -0.00003   0.00150  -0.00015   0.00136  -0.39933
   D90        0.18061  -0.00001   0.00200  -0.00106   0.00095   0.18156
   D91       -0.05727  -0.00001   0.00197  -0.00099   0.00098  -0.05629
   D92        2.40441   0.00000   0.00227  -0.00206   0.00021   2.40462
   D93        2.05455   0.00000   0.00226  -0.00225   0.00002   2.05456
   D94        1.66205  -0.00001   0.00224  -0.00250  -0.00024   1.66181
   D95        1.37337   0.00002   0.00252  -0.00294  -0.00038   1.37299
   D96        2.05487  -0.00001   0.00203  -0.00238  -0.00034   2.05453
   D97       -1.91558   0.00003   0.00156  -0.00298  -0.00147  -1.91705
   D98       -2.44347   0.00001   0.00387  -0.00725  -0.00337  -2.44684
   D99       -2.65906  -0.00002   0.00166  -0.00321  -0.00156  -2.66063
   D100      -2.98642   0.00006   0.00174  -0.00247  -0.00075  -2.98717
   D101      -2.90608   0.00002   0.00766  -0.01400  -0.00641  -2.91250
   D102       2.84920  -0.00006   0.00570  -0.01065  -0.00496   2.84424
   D103      -2.90900  -0.00003   0.00085  -0.00044   0.00041  -2.90860
   D104       1.18898  -0.00002   0.00058  -0.00043   0.00015   1.18913
   D105       2.80196  -0.00001   0.00060   0.00060   0.00120   2.80317
   D106       0.61676   0.00000   0.00033   0.00061   0.00095   0.61771
   D107       2.30208   0.00003   0.00112   0.00046   0.00158   2.30366
   D108       0.11688   0.00004   0.00085   0.00047   0.00133   0.11820
   D109       1.74559  -0.00006   0.00232  -0.00225   0.00004   1.74564
   D110      -0.43960  -0.00005   0.00205  -0.00224  -0.00021  -0.43982
   D111       2.58505   0.00001   0.00063   0.00003   0.00068   2.58573
   D112       0.39986   0.00001   0.00036   0.00004   0.00042   0.40028
   D113       2.24822   0.00002   0.00061   0.00034   0.00095   2.24917
   D114       0.06302   0.00003   0.00034   0.00035   0.00069   0.06371
   D115      -1.61183  -0.00001   0.00011   0.00016   0.00027  -1.61157
   D116       2.48615  -0.00001  -0.00016   0.00017   0.00001   2.48616
   D117      -1.77458  -0.00001   0.00064  -0.00020   0.00044  -1.77414
   D118       2.32341  -0.00001   0.00037  -0.00019   0.00018   2.32359
   D119      -2.73516   0.00000   0.00014  -0.00013   0.00001  -2.73515
   D120       1.36282   0.00001  -0.00012  -0.00012  -0.00024   1.36258
   D121      -2.69901   0.00000   0.00027  -0.00047  -0.00022  -2.69922
   D122       1.39898   0.00000   0.00000  -0.00046  -0.00047   1.39851
   D123       1.32106   0.00000  -0.00014   0.00248   0.00233   1.32339
   D124      -0.86414   0.00001  -0.00041   0.00249   0.00208  -0.86206
   D125       1.29196   0.00000  -0.00009   0.00238   0.00228   1.29424
   D126      -0.89324   0.00001  -0.00036   0.00239   0.00203  -0.89121
   D127       1.64785   0.00001  -0.00019   0.00257   0.00238   1.65023
   D128      -0.53735   0.00001  -0.00045   0.00258   0.00212  -0.53522
   D129       1.77611  -0.00001  -0.00088   0.00316   0.00227   1.77838
   D130      -0.40909   0.00000  -0.00115   0.00317   0.00201  -0.40708
   D131       0.89211   0.00001  -0.00003   0.00246   0.00242   0.89453
   D132      -1.29309   0.00001  -0.00030   0.00247   0.00216  -1.29093
   D133      -0.95425   0.00000  -0.00106   0.00484   0.00373  -0.95053
   D134      -3.13945   0.00000  -0.00133   0.00485   0.00347  -3.13598
   D135      -0.52754   0.00000  -0.00095   0.00477   0.00382  -0.52372
   D136      -2.71273   0.00001  -0.00122   0.00478   0.00356  -2.70917
   D137      -0.22910   0.00004   0.00110   0.00204   0.00314  -0.22596
   D138      -2.41430   0.00005   0.00084   0.00205   0.00288  -2.41142
   D139       0.17851  -0.00004   0.00045   0.00251   0.00300   0.18150
   D140      -2.00669  -0.00004   0.00018   0.00252   0.00274  -2.00395
   D141      -0.31038   0.00000  -0.00231   0.00621   0.00394  -0.30645
   D142      -2.49558   0.00000  -0.00258   0.00622   0.00368  -2.49190
   D143      -0.05518   0.00002  -0.00151   0.00496   0.00347  -0.05171
   D144      -2.24038   0.00003  -0.00177   0.00497   0.00321  -2.23717
   D145      -2.47386  -0.00001   0.00010  -0.00109  -0.00101  -2.47487
   D146      -2.72536   0.00002  -0.00015  -0.00115  -0.00131  -2.72667
   D147      -2.40599  -0.00002  -0.00040  -0.00065  -0.00113  -2.40711
   D148       3.00187   0.00002  -0.00008  -0.00078  -0.00084   3.00103
   D149       2.61816   0.00004  -0.00006  -0.00028  -0.00030   2.61785
   D150       1.51960  -0.00002  -0.00085   0.00068  -0.00017   1.51943
   D151       2.62053   0.00001  -0.00068   0.00052  -0.00018   2.62036
   D152       2.99443   0.00001  -0.00050   0.00013  -0.00036   2.99406
   D153       1.17766   0.00000  -0.00131   0.00456   0.00322   1.18088
   D154       1.24321   0.00000  -0.00111   0.00329   0.00217   1.24538
   D155       1.63578   0.00000  -0.00114   0.00302   0.00188   1.63766
   D156       1.71553  -0.00001  -0.00165   0.00301   0.00135   1.71688
   D157       0.89489   0.00001  -0.00090   0.00275   0.00184   0.89674
   D158      -0.99605   0.00001  -0.00331   0.00672   0.00340  -0.99265
   D159      -0.67185   0.00001  -0.00269   0.00576   0.00310  -0.66874
   D160      -0.70921   0.00002  -0.00059   0.00282   0.00224  -0.70697
   D161      -0.39797  -0.00008  -0.00017   0.00140   0.00124  -0.39673
   D162      -0.29117   0.00000  -0.00293   0.00592   0.00304  -0.28813
   D163      -0.01167   0.00004  -0.00249   0.00530   0.00283  -0.00884
   D164      -1.28701  -0.00002  -0.00008  -0.00014  -0.00024  -1.28725
   D165       1.66192  -0.00002   0.00030  -0.00010   0.00019   1.66211
   D166      -1.65870   0.00000  -0.00016  -0.00005  -0.00023  -1.65892
   D167       1.29023   0.00000   0.00022  -0.00001   0.00020   1.29044
   D168      -1.73832   0.00001   0.00000  -0.00004  -0.00006  -1.73837
   D169       1.21062   0.00001   0.00038   0.00000   0.00037   1.21099
   D170      -1.99638  -0.00005  -0.00167   0.00445   0.00281  -1.99356
   D171       0.95256  -0.00005  -0.00129   0.00449   0.00324   0.95580
   D172      -2.00800   0.00001  -0.00002  -0.00037  -0.00040  -2.00840
   D173       0.94093   0.00001   0.00036  -0.00033   0.00003   0.94096
   D174      -2.31054   0.00002  -0.00004  -0.00017  -0.00021  -2.31075
   D175       0.63840   0.00002   0.00034  -0.00012   0.00022   0.63861
   D176       1.97919   0.00000  -0.00069   0.00029  -0.00039   1.97880
   D177      -1.35506   0.00000  -0.00030   0.00034   0.00003  -1.35503
   D178       0.83272   0.00000  -0.00051   0.00039  -0.00012   0.83260
   D179      -2.50153   0.00000  -0.00012   0.00044   0.00031  -2.50122
   D180       0.36793  -0.00003  -0.00030   0.00039   0.00007   0.36801
   D181      -2.96632  -0.00003   0.00008   0.00043   0.00050  -2.96582
   D182      -3.11107   0.00001  -0.00067   0.00226   0.00159  -3.10948
   D183      -0.16214   0.00001  -0.00029   0.00230   0.00202  -0.16012
   D184       2.90722   0.00000  -0.00076   0.00232   0.00155   2.90878
   D185      -0.42703   0.00000  -0.00038   0.00236   0.00198  -0.42505
   D186       3.06245  -0.00001  -0.00085   0.00212   0.00126   3.06372
   D187      -0.27180  -0.00001  -0.00047   0.00216   0.00169  -0.27011
   D188       2.97260  -0.00001  -0.00142   0.00223   0.00081   2.97341
   D189      -0.36165  -0.00001  -0.00104   0.00227   0.00124  -0.36042
   D190       2.46102   0.00000  -0.00089   0.00273   0.00182   2.46284
   D191      -0.87323   0.00000  -0.00051   0.00277   0.00225  -0.87098
   D192       0.32505   0.00001  -0.00410   0.00745   0.00339   0.32844
   D193      -3.00920   0.00001  -0.00371   0.00749   0.00382  -3.00539
   D194       0.63350   0.00001  -0.00327   0.00718   0.00397   0.63747
   D195      -2.70075   0.00001  -0.00289   0.00723   0.00440  -2.69635
   D196       0.43088   0.00002  -0.00068   0.00487   0.00407   0.43495
   D197      -2.90338   0.00002  -0.00030   0.00491   0.00450  -2.89888
   D198       1.10084  -0.00001  -0.00335   0.00726   0.00397   1.10481
   D199      -2.23341  -0.00001  -0.00297   0.00730   0.00439  -2.22902
   D200       1.43540   0.00003  -0.00273   0.00647   0.00375   1.43916
   D201      -1.89885   0.00003  -0.00235   0.00652   0.00418  -1.89467
   D202       1.61122   0.00001  -0.00199   0.00379   0.00179   1.61301
   D203      -0.60190   0.00001  -0.00135   0.00319   0.00184  -0.60007
   D204       1.68409  -0.00001  -0.00143   0.00281   0.00138   1.68547
   D205      -0.52903  -0.00001  -0.00078   0.00222   0.00143  -0.52761
   D206       1.36501   0.00003  -0.00091   0.00105   0.00013   1.36514
   D207      -0.84811   0.00003  -0.00027   0.00045   0.00017  -0.84794
   D208       1.20049   0.00000   0.00142  -0.00441  -0.00300   1.19749
   D209      -1.01263   0.00000   0.00206  -0.00501  -0.00296  -1.01559
   D210       2.11567   0.00000  -0.00144   0.00265   0.00121   2.11687
   D211      -0.09746   0.00000  -0.00080   0.00206   0.00125  -0.09620
   D212       2.23269   0.00001  -0.00127   0.00229   0.00101   2.23370
   D213       0.01956   0.00000  -0.00063   0.00170   0.00106   0.02062
   D214      -2.22821   0.00002  -0.00096   0.00101   0.00006  -2.22815
   D215       1.84185   0.00001  -0.00031   0.00042   0.00011   1.84196
   D216      -2.39274   0.00001  -0.00082   0.00005  -0.00078  -2.39352
   D217       1.67732   0.00001  -0.00018  -0.00055  -0.00073   1.67659
   D218      -2.00046   0.00001  -0.00068  -0.00155  -0.00220  -2.00266
   D219       2.06960   0.00001  -0.00003  -0.00215  -0.00215   2.06745
   D220      -2.10917  -0.00001   0.00119  -0.00611  -0.00492  -2.11409
   D221       1.96089  -0.00001   0.00183  -0.00671  -0.00487   1.95602
   D222      -2.88722  -0.00001  -0.00102   0.00055  -0.00048  -2.88770
   D223       1.18284  -0.00001  -0.00037  -0.00005  -0.00043   1.18241
   D224       3.05965  -0.00002  -0.00126   0.00093  -0.00036   3.05929
   D225       0.84653  -0.00002  -0.00062   0.00034  -0.00032   0.84621
   D226      -2.71543   0.00001  -0.00078   0.00079   0.00001  -2.71542
   D227       1.35463   0.00001  -0.00014   0.00019   0.00006   1.35469
   D228      -2.66315   0.00002  -0.00017   0.00042   0.00026  -2.66289
   D229       1.40691   0.00001   0.00047  -0.00018   0.00030   1.40721
   D230      -1.56894  -0.00001  -0.00148   0.00145  -0.00003  -1.56896
   D231       2.50113  -0.00001  -0.00084   0.00086   0.00002   2.50114
   D232      -0.05991  -0.00002   0.00293  -0.00519  -0.00214  -0.06205
   D233      -2.27303  -0.00002   0.00357  -0.00579  -0.00210  -2.27513
   D234      -0.19633  -0.00002   0.00103  -0.00243  -0.00142  -0.19774
   D235      -2.40945  -0.00002   0.00167  -0.00303  -0.00137  -2.41082
   D236       0.08260  -0.00001  -0.00073  -0.00022  -0.00093   0.08167
   D237      -2.13052  -0.00001  -0.00009  -0.00082  -0.00089  -2.13141
   D238      -0.02174   0.00005  -0.00149   0.00206   0.00055  -0.02118
   D239      -2.23486   0.00005  -0.00084   0.00146   0.00060  -2.23426
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   D241      -2.80477  -0.00001   0.00050  -0.00131  -0.00086  -2.80563
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   D247      -0.19936  -0.00001  -0.00125   0.00193   0.00068  -0.19869
   D248       2.78066   0.00003  -0.00382   0.00338  -0.00044   2.78021
   D249      -0.58327   0.00003  -0.00080   0.00069  -0.00012  -0.58339
   D250       2.54394  -0.00001  -0.00275   0.00101  -0.00173   2.54221
   D251      -0.81999  -0.00002   0.00027  -0.00169  -0.00140  -0.82140
   D252      -2.88877   0.00000  -0.00407   0.00359  -0.00049  -2.88926
   D253       0.03048   0.00000  -0.00106   0.00089  -0.00016   0.03032
   D254      -3.06272   0.00002  -0.00376   0.00278  -0.00097  -3.06369
   D255      -0.14347   0.00002  -0.00074   0.00009  -0.00064  -0.14411
   D256      -0.64887   0.00002  -0.00415   0.00386  -0.00029  -0.64916
   D257       2.27039   0.00002  -0.00113   0.00117   0.00004   2.27042
   D258      -0.89518   0.00001  -0.00398   0.00307  -0.00091  -0.89609
   D259       2.02407   0.00001  -0.00096   0.00038  -0.00058   2.02349
   D260      -0.73057   0.00000  -0.00393   0.00221  -0.00172  -0.73229
   D261       2.18868   0.00000  -0.00091  -0.00049  -0.00139   2.18729
   D262      -0.93444  -0.00001  -0.00337   0.00130  -0.00208  -0.93652
   D263       1.98481  -0.00002  -0.00035  -0.00139  -0.00175   1.98306
   D264      -1.30315   0.00000  -0.00404   0.00306  -0.00098  -1.30413
   D265       1.61610  -0.00001  -0.00102   0.00037  -0.00065   1.61545
   D266      -1.54194  -0.00001  -0.00406   0.00272  -0.00136  -1.54330
   D267       1.37731  -0.00001  -0.00104   0.00003  -0.00103   1.37628
   D268       1.98119   0.00001  -0.00388   0.00348  -0.00040   1.98079
   D269      -1.38274   0.00001  -0.00086   0.00078  -0.00008  -1.38281
   D270       0.86020   0.00000  -0.00444   0.00415  -0.00029   0.85991
   D271      -2.50373   0.00000  -0.00142   0.00146   0.00003  -2.50370
   D272       0.99106  -0.00008   0.00256  -0.00563  -0.00300   0.98806
   D273      -2.37287  -0.00008   0.00557  -0.00832  -0.00267  -2.37554
   D274       1.14493  -0.00004  -0.00196   0.00052  -0.00146   1.14348
   D275      -2.21900  -0.00004   0.00106  -0.00217  -0.00113  -2.22013
   D276       1.59928   0.00000  -0.00353   0.00218  -0.00133   1.59795
   D277      -1.76465  -0.00001  -0.00051  -0.00051  -0.00101  -1.76566
   D278       1.58187   0.00003  -0.00428   0.00448   0.00017   1.58204
   D279      -1.78206   0.00003  -0.00126   0.00179   0.00050  -1.78157
   D280       0.82543  -0.00001  -0.00467   0.00438  -0.00032   0.82512
   D281      -2.53850  -0.00002  -0.00165   0.00168   0.00001  -2.53849
   D282       0.80161  -0.00002  -0.00406   0.00333  -0.00074   0.80087
   D283      -2.56232  -0.00002  -0.00104   0.00063  -0.00041  -2.56273
   D284       1.58132   0.00002  -0.00095   0.00274   0.00180   1.58312
   D285      -2.63518   0.00002  -0.00092   0.00204   0.00112  -2.63406
   D286       1.64421  -0.00001  -0.00010   0.00066   0.00056   1.64477
   D287      -2.57229  -0.00001  -0.00007  -0.00004  -0.00012  -2.57241
   D288       1.33458   0.00002   0.00026  -0.00099  -0.00073   1.33385
   D289      -2.88192   0.00003   0.00029  -0.00170  -0.00141  -2.88333
   D290       1.24538   0.00001   0.00210  -0.00557  -0.00347   1.24191
   D291      -2.97112   0.00001   0.00213  -0.00628  -0.00415  -2.97527
   D292       2.04109   0.00000   0.00006  -0.00035  -0.00029   2.04080
   D293      -2.17541   0.00000   0.00009  -0.00106  -0.00096  -2.17637
   D294       2.02231   0.00001   0.00018  -0.00084  -0.00065   2.02165
   D295      -2.19420   0.00001   0.00021  -0.00154  -0.00133  -2.19553
   D296      -2.29735   0.00001   0.00040  -0.00130  -0.00090  -2.29824
   D297      -0.23066   0.00001   0.00043  -0.00201  -0.00157  -0.23224
   D298      -2.27064   0.00001   0.00044  -0.00223  -0.00178  -2.27243
   D299      -0.20396   0.00001   0.00047  -0.00294  -0.00246  -0.20642
   D300      -1.88186   0.00001   0.00038  -0.00257  -0.00218  -1.88404
   D301       0.18482   0.00001   0.00040  -0.00328  -0.00286   0.18196
   D302      -1.81991   0.00001   0.00094  -0.00370  -0.00274  -1.82265
   D303       0.24677   0.00001   0.00097  -0.00440  -0.00341   0.24336
   D304      -2.61559   0.00000   0.00053  -0.00283  -0.00230  -2.61789
   D305      -0.54891   0.00000   0.00056  -0.00353  -0.00297  -0.55188
   D306      -2.73960  -0.00002   0.00065  -0.00376  -0.00313  -2.74273
   D307      -0.67292  -0.00001   0.00068  -0.00446  -0.00381  -0.67673
   D308       1.52298  -0.00001  -0.00019  -0.00073  -0.00092   1.52207
   D309      -2.69352  -0.00001  -0.00016  -0.00143  -0.00159  -2.69511
   D310       2.62341   0.00001   0.00004  -0.00085  -0.00081   2.62260
   D311      -1.59310   0.00001   0.00007  -0.00155  -0.00148  -1.59458
   D312       3.00490  -0.00002   0.00061  -0.00114  -0.00055   3.00435
   D313      -1.21160  -0.00001   0.00064  -0.00184  -0.00123  -1.21283
   D314      -0.45095  -0.00004   0.00354  -0.00561  -0.00206  -0.45301
   D315       1.61573  -0.00003   0.00357  -0.00631  -0.00273   1.61300
   D316      -0.29836  -0.00002   0.00176  -0.00318  -0.00143  -0.29979
   D317       1.76833  -0.00002   0.00179  -0.00389  -0.00211   1.76622
   D318       0.12715   0.00001   0.00119  -0.00263  -0.00141   0.12574
   D319       2.19383   0.00001   0.00122  -0.00333  -0.00209   2.19174
   D320       0.25945   0.00000   0.00049  -0.00076  -0.00027   0.25918
   D321       2.32614   0.00001   0.00052  -0.00146  -0.00095   2.32519
   D322      -0.55233  -0.00001  -0.00012  -0.00073  -0.00087  -0.55320
   D323       1.51435  -0.00001  -0.00009  -0.00143  -0.00155   1.51281
   D324      -0.58960  -0.00003   0.00061  -0.00202  -0.00142  -0.59102
   D325       1.47709  -0.00002   0.00064  -0.00273  -0.00210   1.47499
   D326       0.07399   0.00003  -0.00471   0.00804   0.00340   0.07740
   D327       2.25487   0.00001  -0.00414   0.00660   0.00253   2.25740
   D328       0.38122   0.00002  -0.00501   0.00879   0.00384   0.38506
   D329       2.56210   0.00000  -0.00445   0.00735   0.00297   2.56507
   D330       0.74613  -0.00001  -0.00560   0.00977   0.00420   0.75033
   D331       2.92701  -0.00003  -0.00503   0.00833   0.00332   2.93034
   D332       1.02514   0.00005  -0.00580   0.00989   0.00405   1.02919
   D333      -3.07717   0.00003  -0.00523   0.00845   0.00318  -3.07399
   D334       0.32206  -0.00001  -0.00495   0.01015   0.00531   0.32737
   D335       2.50294  -0.00003  -0.00438   0.00871   0.00444   2.50737
   D336       0.71142  -0.00003  -0.00670   0.01369   0.00701   0.71843
   D337       2.89230  -0.00005  -0.00614   0.01225   0.00614   2.89844
   D338      -2.34162   0.00001  -0.00463   0.00782   0.00323  -2.33839
   D339      -0.16074  -0.00001  -0.00406   0.00638   0.00236  -0.15839
   D340      -1.96348   0.00001  -0.00464   0.00828   0.00361  -1.95987
   D341       0.21739  -0.00001  -0.00407   0.00685   0.00274   0.22014
   D342      -1.91916   0.00002  -0.00560   0.01079   0.00515  -1.91402
   D343       0.26171   0.00000  -0.00503   0.00935   0.00427   0.26599
   D344      -1.62236   0.00005  -0.00637   0.01193   0.00546  -1.61689
   D345       0.55852   0.00003  -0.00580   0.01049   0.00459   0.56311
   D346      -1.59068   0.00002  -0.00359   0.00671   0.00301  -1.58767
   D347       0.59020   0.00000  -0.00302   0.00527   0.00214   0.59234
   D348      -1.29003   0.00003  -0.00362   0.00732   0.00358  -1.28644
   D349       0.89085   0.00001  -0.00305   0.00588   0.00271   0.89356
   D350       1.83374   0.00003  -0.00716   0.01222   0.00498   1.83872
   D351      -2.26857   0.00001  -0.00659   0.01078   0.00411  -2.26445
   D352       2.26374   0.00004  -0.00793   0.01304   0.00505   2.26879
   D353      -1.83857   0.00002  -0.00736   0.01161   0.00418  -1.83439
   D354       2.50034   0.00009  -0.01086   0.01708   0.00616   2.50650
   D355      -1.60197   0.00007  -0.01029   0.01564   0.00529  -1.59668
   D356       3.13665   0.00003  -0.00928   0.01337   0.00439   3.14103
   D357      -0.96566   0.00001  -0.00871   0.01194   0.00352  -0.96214
   D358       2.59138   0.00003  -0.00598   0.01019   0.00423   2.59560
   D359      -1.51093   0.00001  -0.00541   0.00875   0.00335  -1.50757
   D360       1.62012   0.00002  -0.00168   0.00486   0.00321   1.62333
   D361      -2.48219   0.00000  -0.00112   0.00342   0.00234  -2.47985
   D362       1.79381  -0.00005  -0.00255   0.00464   0.00217   1.79598
   D363      -2.30850  -0.00007  -0.00198   0.00320   0.00130  -2.30720
   D364       2.74083   0.00000  -0.00041   0.00279   0.00239   2.74322
   D365      -1.36148  -0.00002   0.00016   0.00135   0.00152  -1.35996
   D366       2.72739   0.00002  -0.00298   0.00648   0.00350   2.73089
   D367      -1.37492   0.00000  -0.00241   0.00504   0.00263  -1.37229
   D368       0.05696  -0.00001  -0.00566   0.00817   0.00249   0.05945
   D369      -2.53464   0.00002  -0.00714  -0.00104  -0.00821  -2.54286
   D370       0.45676  -0.00003  -0.00580   0.00821   0.00242   0.45918
   D371      -2.13485   0.00000  -0.00728  -0.00100  -0.00828  -2.14313
   D372       0.66875  -0.00006  -0.00622   0.00794   0.00173   0.67048
   D373      -1.92286  -0.00002  -0.00770  -0.00127  -0.00897  -1.93183
   D374       0.93986   0.00000  -0.00549   0.00543  -0.00003   0.93983
   D375      -1.65174   0.00003  -0.00697  -0.00379  -0.01073  -1.66248
   D376       0.69930  -0.00003  -0.00586   0.00954   0.00370   0.70300
   D377      -1.89230   0.00000  -0.00734   0.00033  -0.00701  -1.89931
   D378       1.03873  -0.00005  -0.00600   0.00949   0.00351   1.04224
   D379      -1.55287  -0.00001  -0.00748   0.00028  -0.00719  -1.56006
   D380      -2.75999  -0.00007  -0.00611   0.00710   0.00101  -2.75898
   D381       0.93159  -0.00003  -0.00759  -0.00212  -0.00969   0.92190
   D382      -2.20384  -0.00006  -0.00614   0.00633   0.00031  -2.20353
   D383       1.48775  -0.00002  -0.00762  -0.00288  -0.01039   1.47735
   D384      -1.96718  -0.00004  -0.00567   0.00747   0.00184  -1.96534
   D385       1.72440   0.00000  -0.00715  -0.00175  -0.00886   1.71554
   D386      -1.63625  -0.00001  -0.00568   0.00777   0.00210  -1.63414
   D387       2.05534   0.00002  -0.00716  -0.00145  -0.00860   2.04673
   D388      -1.68280  -0.00005  -0.00546   0.00444  -0.00089  -1.68369
   D389       2.00878  -0.00001  -0.00694  -0.00477  -0.01159   1.99719
   D390      -1.10543  -0.00001  -0.00430   0.00667   0.00216  -1.10328
   D391       2.58615   0.00003  -0.00578  -0.00254  -0.00854   2.57760
   D392       1.79310  -0.00004  -0.00549   0.00701   0.00153   1.79463
   D393      -0.79851   0.00000  -0.00697  -0.00221  -0.00917  -0.80768
   D394       2.09228  -0.00003  -0.00549   0.00721   0.00172   2.09399
   D395      -0.49933   0.00000  -0.00697  -0.00201  -0.00899  -0.50831
   D396       2.03686  -0.00003  -0.00558   0.00770   0.00212   2.03898
   D397      -0.55474   0.00001  -0.00706  -0.00151  -0.00858  -0.56332
   D398       2.23318  -0.00004  -0.00528   0.00792   0.00260   2.23578
   D399      -0.35842   0.00000  -0.00676  -0.00130  -0.00810  -0.36653
   D400       2.49314  -0.00003  -0.00515   0.00671   0.00155   2.49469
   D401      -0.09846   0.00000  -0.00663  -0.00251  -0.00915  -0.10762
   D402      -1.53523  -0.00004  -0.00078   0.00072  -0.00006  -1.53529
   D403       2.15635  -0.00001  -0.00226  -0.00850  -0.01076   2.14559
   D404      -2.63488   0.00000  -0.00094   0.00079  -0.00016  -2.63503
   D405       1.05671   0.00004  -0.00242  -0.00842  -0.01086   1.04584
   D406      -2.99217  -0.00004  -0.00272   0.00333   0.00060  -2.99157
   D407       0.69941   0.00000  -0.00420  -0.00589  -0.01011   0.68931
   D408       1.92068   0.00001  -0.00311   0.00435   0.00123   1.92191
   D409       2.41587  -0.00001  -0.00424   0.00664   0.00241   2.41828
   D410       2.64465  -0.00002  -0.00330   0.00440   0.00111   2.64576
   D411       2.87555   0.00004  -0.00161   0.00029  -0.00135   2.87421
   D412       2.84191  -0.00002  -0.00699   0.01332   0.00640   2.84831
   D413      -2.95000  -0.00002  -0.00478   0.00854   0.00382  -2.94618
   D414      -0.75165  -0.00001  -0.00163   0.00156  -0.00009  -0.75174
   D415      -0.37062   0.00000  -0.00150   0.00089  -0.00064  -0.37126
   D416      -0.06125   0.00001  -0.00217   0.00258   0.00039  -0.06086
   D417       0.24732   0.00003  -0.00189   0.00199   0.00009   0.24740
   D418      -0.23527   0.00001  -0.00037  -0.00177  -0.00219  -0.23746
   D419       0.07673   0.00001  -0.00004  -0.00243  -0.00253   0.07420
   D420      -2.56147  -0.00001  -0.00220   0.00242   0.00024  -2.56123
   D421      -2.17880   0.00000  -0.00203   0.00213   0.00010  -2.17870
   D422      -1.93769   0.00001  -0.00169   0.00184   0.00015  -1.93754
   D423      -1.62441  -0.00002  -0.00126   0.00133   0.00005  -1.62437
   D424      -1.96165   0.00000  -0.00182   0.00196   0.00013  -1.96152
   D425       1.32774  -0.00004   0.00345  -0.00500  -0.00153   1.32621
   D426       2.48095   0.00004   0.00202  -0.00290  -0.00086   2.48008
   D427       2.95408  -0.00009   0.00110  -0.00270  -0.00153   2.95255
   D428      -3.07974  -0.00003   0.00578   0.00286   0.00866  -3.07109
   D429       0.02697  -0.00001  -0.00113   0.00049  -0.00064   0.02633
   D430       0.02961   0.00010   0.00745  -0.00016   0.00729   0.03691
   D431       3.13632   0.00012   0.00054  -0.00253  -0.00200   3.13432
   D432      -0.08946   0.00008   0.00528  -0.01830  -0.01302  -0.10248
   D433       2.01249   0.00002   0.00194  -0.01561  -0.01366   1.99884
   D434      -2.18485   0.00011   0.00416  -0.01728  -0.01313  -2.19798
   D435       3.08521   0.00006   0.01187  -0.01609  -0.00422   3.08098
   D436      -1.09603   0.00000   0.00852  -0.01339  -0.00486  -1.10089
   D437       0.98981   0.00009   0.01074  -0.01507  -0.00434   0.98548
   D438      -2.37912   0.00002   0.00623   0.00041   0.00664  -2.37248
   D439      -0.28889   0.00002   0.00629   0.00048   0.00677  -0.28212
   D440       1.81816   0.00001   0.00629   0.00083   0.00713   1.82529
   D441       0.72935   0.00004  -0.00037  -0.00182  -0.00220   0.72715
   D442       2.81958   0.00004  -0.00031  -0.00175  -0.00207   2.81750
   D443      -1.35655   0.00003  -0.00031  -0.00140  -0.00172  -1.35827
   D444       0.00262   0.00000  -0.00231   0.00145  -0.00086   0.00176
   D445       3.11263   0.00002   0.00053   0.00082   0.00134   3.11397
   D446      -3.11719  -0.00004  -0.00235   0.00159  -0.00075  -3.11794
   D447      -0.00719  -0.00002   0.00049   0.00096   0.00145  -0.00574
   D448       2.42689  -0.00001  -0.00025   0.00140   0.00116   2.42805
   D449      -1.77193   0.00000  -0.00045   0.00164   0.00119  -1.77074
   D450       0.33616  -0.00001  -0.00041   0.00182   0.00140   0.33756
   D451      -0.68461  -0.00003  -0.00297   0.00202  -0.00094  -0.68556
   D452       1.39976  -0.00002  -0.00316   0.00225  -0.00091   1.39884
   D453      -2.77534  -0.00003  -0.00312   0.00243  -0.00069  -2.77604
   D454       2.06522  -0.00002  -0.00210   0.00110  -0.00100   2.06421
   D455      -2.13372   0.00001  -0.00198   0.00109  -0.00089  -2.13461
   D456      -0.04003  -0.00001  -0.00211   0.00133  -0.00078  -0.04081
   D457      -1.10643   0.00000   0.00061   0.00049   0.00110  -1.10533
   D458       0.97782   0.00003   0.00073   0.00048   0.00121   0.97903
   D459       3.07151   0.00001   0.00059   0.00072   0.00132   3.07283
   D460      -3.08802  -0.00003  -0.00244   0.00458   0.00215  -3.08587
   D461      -0.03007  -0.00002  -0.00185   0.00182  -0.00003  -0.03010
   D462       0.06620   0.00001  -0.00121   0.00339   0.00219   0.06839
   D463       3.12415   0.00002  -0.00063   0.00063   0.00000   3.12416
   D464       1.94670  -0.00002  -0.00108  -0.00091  -0.00199   1.94471
   D465      -2.25406  -0.00001  -0.00145  -0.00004  -0.00149  -2.25556
   D466      -0.16073   0.00000  -0.00083  -0.00055  -0.00139  -0.16212
   D467      -1.11458  -0.00003  -0.00172   0.00179   0.00008  -1.11450
   D468       0.96784  -0.00002  -0.00209   0.00266   0.00058   0.96842
   D469       3.06117  -0.00002  -0.00147   0.00215   0.00068   3.06185
   D470      -1.64777   0.00000  -0.00162   0.00138  -0.00023  -1.64800
   D471       0.45644  -0.00001  -0.00175   0.00123  -0.00053   0.45591
   D472       2.54863  -0.00001  -0.00146   0.00117  -0.00029   2.54835
   D473       1.41388   0.00001  -0.00099  -0.00132  -0.00232   1.41156
   D474      -2.76510   0.00000  -0.00113  -0.00148  -0.00261  -2.76771
   D475      -0.67291   0.00001  -0.00083  -0.00153  -0.00237  -0.67528
   D476      -0.00259   0.00012   0.00164   0.00072   0.00234  -0.00025
   D477      -3.08483   0.00015  -0.00024   0.00493   0.00465  -3.08017
   D478       3.11556  -0.00011  -0.00046   0.00148   0.00101   3.11657
   D479       0.03332  -0.00008  -0.00234   0.00569   0.00332   0.03664
   D480      -0.35278   0.00015  -0.00225   0.00873   0.00644  -0.34634
   D481       1.75430   0.00007  -0.00282   0.00828   0.00547   1.75976
   D482      -2.44179   0.00004  -0.00309   0.00859   0.00552  -2.43628
   D483       2.73235   0.00013  -0.00048   0.00478   0.00424   2.73659
   D484      -1.44377   0.00004  -0.00105   0.00433   0.00327  -1.44049
   D485       0.64333   0.00002  -0.00132   0.00464   0.00332   0.64665
   D486      -0.03648  -0.00001   0.01022  -0.01474  -0.00452  -0.04101
   D487       2.05791  -0.00003   0.00842  -0.01364  -0.00521   2.05269
   D488      -2.14063  -0.00002   0.00928  -0.01444  -0.00515  -2.14577
   D489      -3.12159   0.00002   0.00842  -0.01074  -0.00232  -3.12391
   D490      -1.02720  -0.00001   0.00662  -0.00965  -0.00301  -1.03021
   D491       1.05745   0.00001   0.00749  -0.01045  -0.00294   1.05450
         Item               Value     Threshold  Converged?
 Maximum Force            0.000517     0.000450     NO 
 RMS     Force            0.000044     0.000300     YES
 Maximum Displacement     0.027268     0.001800     NO 
 RMS     Displacement     0.002448     0.001200     NO 
 Predicted change in Energy=-9.179403D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:17:41 2016, MaxMem=  2952790016 cpu:         7.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
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      1         55           0       -1.834908   -0.598718    1.673642
      2          6           0       -2.078912    1.105985   -1.358237
      3          8           0       -2.627621    0.126115   -1.891611
      4          7           0       -0.786463    1.154329   -0.935421
      5          1           0       -2.630177    2.044221   -1.146676
      6          6           0       -0.249074    2.323628   -0.238240
      7          1           0       -0.999839    3.125986   -0.227857
      8          1           0        0.015057    2.055666    0.796331
      9          1           0        0.657137    2.678045   -0.755659
     10          6           0        0.126065    0.020579   -1.104060
     11          1           0        0.695020   -0.124053   -0.172416
     12          1           0       -0.454467   -0.884906   -1.324185
     13          1           0        0.834684    0.214743   -1.926039
     14          6           0       -1.995399   -4.013457    2.608575
     15          8           0       -2.115017   -3.864734    3.836777
     16          7           0       -2.940221   -3.705852    1.678947
     17          1           0       -1.064574   -4.404227    2.151522
     18          6           0       -4.239810   -3.145201    2.057370
     19          1           0       -4.510427   -2.356143    1.338519
     20          1           0       -5.020240   -3.924119    2.038056
     21          1           0       -4.173112   -2.717392    3.065983
     22          6           0       -2.695037   -3.884854    0.247721
     23          1           0       -3.406926   -4.613587   -0.173329
     24          1           0       -2.828643   -2.923011   -0.273989
     25          1           0       -1.668058   -4.243127    0.090970
     26          6           0        1.538016    0.384105    2.621332
     27          8           0        1.358269    1.398183    3.316715
     28          7           0        1.168234   -0.881399    2.958695
     29          1           0        2.021861    0.432264    1.625895
     30          6           0        1.483711   -2.026127    2.103939
     31          1           0        2.229166   -2.676100    2.592294
     32          1           0        0.572196   -2.619303    1.923004
     33          1           0        1.879867   -1.669572    1.143398
     34          6           0        0.530034   -1.168250    4.245943
     35          1           0        1.280493   -1.479089    4.992849
     36          1           0        0.012726   -0.268281    4.601495
     37          1           0       -0.194648   -1.984522    4.112644
     38          6           0       -4.611070    1.153545    2.914429
     39          8           0       -4.877855    1.764677    1.865618
     40          7           0       -3.519886    1.367806    3.699539
     41          1           0       -5.253347    0.335101    3.298092
     42          6           0       -2.517580    2.383017    3.363220
     43          1           0       -2.594893    2.632690    2.296798
     44          1           0       -2.672375    3.292505    3.967357
     45          1           0       -1.515647    1.979799    3.575684
     46          6           0       -3.248454    0.545923    4.879713
     47          1           0       -4.057043   -0.184976    5.017017
     48          1           0       -2.293635    0.009936    4.747208
     49          1           0       -3.172411    1.182283    5.776327
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486809   0.000000
     3  O    3.723547   1.243268   0.000000
     4  N    3.313551   1.360711   2.315467   0.000000
     5  H    3.946108   1.108574   2.057685   2.058111   0.000000
     6  C    3.835397   2.466851   3.635958   1.463595   2.563782
     7  H    4.264558   2.553930   3.796970   2.105614   2.161584
     8  H    3.352282   3.150994   4.234613   2.110405   3.282174
     9  H    4.780058   3.212543   4.311887   2.106657   3.370616
    10  C    3.456092   2.470756   2.866036   1.465106   3.419622
    11  H    3.167613   3.257892   3.749421   2.100292   4.087484
    12  H    3.312777   2.569753   2.463075   2.102341   3.653083
    13  H    4.554793   3.099315   3.463611   2.119495   3.994954
    14  C    3.544052   6.476979   6.147148   6.381806   7.155440
    15  O    3.927401   7.190099   7.000290   7.051944   7.746996
    16  N    3.297882   5.755008   5.246958   5.924099   6.414328
    17  H    3.911992   6.611333   6.270090   6.364283   7.410243
    18  C    3.523546   5.865870   5.375417   6.274421   6.307688
    19  H    3.218579   5.017080   4.487795   5.600190   5.392100
    20  H    4.619246   6.744492   6.129543   7.249625   7.174678
    21  H    3.448854   6.211088   5.920457   6.516966   6.542179
    22  C    3.683987   5.278938   4.546334   5.516869   6.091180
    23  H    4.690599   5.990087   5.101430   6.380946   6.773268
    24  H    3.191099   4.239163   3.457496   4.607894   5.047213
    25  H    3.976733   5.557158   4.893021   5.564460   6.479829
    26  C    3.638773   5.425887   6.147011   4.318210   5.858984
    27  O    4.108975   5.809885   6.680728   4.768647   6.020542
    28  N    3.278739   5.755828   6.240919   4.809280   6.311993
    29  H    3.992477   5.116178   5.838172   3.868901   5.650399
    30  C    3.638116   5.872740   6.123693   4.950424   6.637643
    31  H    4.655764   6.962069   7.179568   6.017556   7.737864
    32  H    3.152633   5.627850   5.685722   4.925124   6.436349
    33  H    3.902235   5.443696   5.723042   4.405135   6.275124
    34  C    3.540346   6.586773   7.022516   5.828728   7.027605
    35  H    4.636584   7.635738   8.077488   6.808199   8.087077
    36  H    3.477825   6.463897   7.020499   5.772344   6.736028
    37  H    3.249560   6.559896   6.813606   5.973742   7.058543
    38  C    3.509566   4.966867   5.299783   5.426690   4.605412
    39  O    3.857721   4.319861   4.676024   4.995782   3.768835
    40  N    3.287951   5.265553   5.796455   5.385167   4.973421
    41  H    3.898280   5.687944   5.819891   6.208609   5.436734
    42  C    3.494489   4.910743   5.720049   4.794242   4.524005
    43  H    3.377558   3.994540   4.881266   3.987884   3.493573
    44  H    4.593919   5.787488   6.659995   5.671481   5.264344
    45  H    3.220006   5.042261   5.879111   4.643617   4.852526
    46  C    3.686083   6.371304   6.812672   6.344079   6.240555
    47  H    4.035743   6.798783   7.061810   6.922568   6.707934
    48  H    3.166654   6.206762   6.648230   5.989447   6.244153
    49  H    4.668287   7.218280   7.759482   7.123278   6.997494
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098879   0.000000
     8  H    1.100866   1.795706   0.000000
     9  H    1.102066   1.795771   1.791171   0.000000
    10  C    2.488857   3.417447   2.786645   2.732315   0.000000
    11  H    2.624269   3.665838   2.480321   2.862404   1.101176
    12  H    3.393547   4.193641   3.655681   3.775381   1.097896
    13  H    2.910428   3.837269   3.387046   2.732978   1.102493
    14  C    7.163286   7.746492   6.645331   7.945452   5.878581
    15  O    7.640899   8.163029   6.988037   8.460689   6.673078
    16  N    6.875501   7.353570   6.535118   7.721555   5.570774
    17  H    7.186100   7.897451   6.688225   7.846945   5.620973
    18  C    7.148699   7.419398   6.836894   8.111930   6.251213
    19  H    6.522696   6.695633   6.343345   7.512146   5.754308
    20  H    8.184125   8.426267   7.915423   9.144726   7.205413
    21  H    7.192208   7.420520   6.743453   8.188222   6.585489
    22  C    6.690601   7.228537   6.552507   7.437437   5.003831
    23  H    7.622415   8.105433   7.558382   8.368011   5.901168
    24  H    5.846596   6.319574   5.832618   6.614717   4.252533
    25  H    6.726379   7.406213   6.557835   7.350233   4.777673
    26  C    3.890063   4.698563   2.905882   4.176383   4.000538
    27  O    4.009701   4.594558   2.930672   4.325952   4.791593
    28  N    4.743560   5.560017   3.825178   5.169844   4.290182
    29  H    3.494196   4.452326   2.711250   3.546520   3.349056
    30  C    5.235334   6.176533   4.530764   5.566844   4.040230
    31  H    6.257067   7.214148   5.524254   6.507452   5.035687
    32  H    5.456926   6.332918   4.840985   5.936695   4.041179
    33  H    4.731486   5.759376   4.180355   4.899311   3.314135
    34  C    5.736560   6.387164   4.749595   6.310797   5.495364
    35  H    6.645640   7.325463   5.630860   7.121494   6.383886
    36  H    5.496323   5.989071   4.458700   6.147780   5.713986
    37  H    6.123179   6.753190   5.231160   6.794516   5.597972
    38  C    5.507761   5.177401   5.167321   6.599064   6.314453
    39  O    5.115102   4.612463   5.016835   6.192048   6.074544
    40  N    5.207486   4.986610   4.625752   6.246041   6.179202
    41  H    6.442255   6.189805   6.080726   7.540298   6.958157
    42  C    4.256779   3.968801   3.620818   5.208745   5.703206
    43  H    3.467681   3.026785   3.065322   4.460409   5.078639
    44  H    4.949562   4.519394   4.336757   5.811203   6.652521
    45  H    4.033416   4.005837   3.173896   4.895821   5.332332
    46  C    6.192735   6.148192   5.440941   7.180320   6.889768
    47  H    6.957834   6.915032   6.278269   7.983994   7.416753
    48  H    5.864137   6.011235   5.012434   6.790243   6.331856
    49  H    6.784069   6.674450   5.976881   7.718133   7.718110
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796327   0.000000
    13  H    1.791503   1.798156   0.000000
    14  C    5.486322   5.256320   6.815407   0.000000
    15  O    6.161382   6.186463   7.651988   1.242943   0.000000
    16  N    5.428794   4.812017   6.528162   1.360705   2.315693
    17  H    5.178489   4.983812   6.447369   1.108167   2.057807
    18  C    6.200953   5.556318   7.273738   2.468820   2.863347
    19  H    5.861896   5.070044   6.770303   3.268807   3.775596
    20  H    7.210470   6.433332   8.192946   3.079469   3.417490
    21  H    6.396198   6.038204   7.654784   2.575159   2.479168
    22  C    5.080612   4.060878   5.830168   2.465697   3.635677
    23  H    6.081273   4.893317   6.661533   3.176720   4.279107
    24  H    4.501187   3.300529   5.098503   3.192576   4.277207
    25  H    4.756078   3.840978   5.495875   2.549163   3.791309
    26  C    2.962076   4.598639   4.604557   5.641254   5.733637
    27  O    3.864082   5.480552   5.400105   6.405810   6.327122
    28  N    3.255973   4.579982   5.017311   4.465529   4.522284
    29  H    2.303023   4.070639   3.751391   6.071942   6.361285
    30  C    3.069481   4.100116   4.656550   4.038360   4.397050
    31  H    4.063271   5.074354   5.542282   4.431224   4.672635
    32  H    3.260697   3.821833   4.787051   3.001036   3.526292
    33  H    2.350289   3.486227   3.750265   4.760066   5.294537
    34  C    4.543067   5.663554   6.332364   4.141738   3.799308
    35  H    5.372044   6.577846   7.137143   4.779043   4.307817
    36  H    4.824578   5.975967   6.596789   4.693682   4.248125
    37  H    4.755481   5.552997   6.508609   3.101856   2.701688
    38  C    6.270204   6.276821   7.346272   5.799413   5.680152
    39  O    6.227183   6.063126   7.029371   6.499798   6.573356
    40  N    5.914651   6.301532   7.206869   5.698443   5.419590
    41  H    6.902052   6.773708   8.023102   5.477191   5.270476
    42  C    5.395082   6.075156   6.626865   6.461969   6.278591
    43  H    4.951785   5.483287   5.953219   6.680410   6.694650
    44  H    6.336397   7.097204   7.516927   7.462015   7.180095
    45  H    4.833373   5.774198   6.237662   6.089712   5.880985
    46  C    6.443901   6.952840   7.943548   5.245585   4.671862
    47  H    7.036762   7.326616   8.502635   4.970738   4.324934
    48  H    5.757839   6.406645   7.372961   4.566223   3.984201
    49  H    7.214643   7.878944   8.736096   6.198042   5.509293
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056480   0.000000
    18  C    1.465081   3.417036   0.000000
    19  H    2.098369   4.090175   1.101178   0.000000
    20  H    2.122046   3.986310   1.102796   1.791036   0.000000
    21  H    2.102604   3.653035   1.097619   1.796778   1.797345
    22  C    1.463067   2.559808   2.491634   2.611980   2.934861
    23  H    2.114881   3.306868   2.797476   2.932483   2.822830
    24  H    2.106952   3.345003   2.734227   2.397900   3.339291
    25  H    2.104456   2.153142   3.418490   3.632651   3.889734
    26  C    6.137625   5.470129   6.793918   6.763004   7.868400
    27  O    6.870987   6.394982   7.318932   7.242224   8.405191
    28  N    5.147299   4.248208   5.931620   6.086627   6.957221
    29  H    6.461352   5.761423   7.224468   7.108346   8.290907
    30  C    4.751133   3.485882   5.832082   6.051816   6.775551
    31  H    5.349500   3.745587   6.507983   6.862685   7.376897
    32  H    3.684729   2.432527   4.842522   5.122884   5.743790
    33  H    5.259895   4.142992   6.361074   6.430032   7.314018
    34  C    5.007151   4.171441   5.607994   5.938893   6.578383
    35  H    5.809891   4.704137   6.470448   6.903484   7.376191
    36  H    5.392409   4.926357   5.730035   5.955258   6.728084
    37  H    4.052657   3.233843   4.683446   5.143912   5.599312
    38  C    5.285063   6.636904   4.399046   3.848575   5.168958
    39  O    5.806544   7.257977   4.954873   4.170610   5.693190
    40  N    5.491885   6.460748   4.856155   4.519223   5.745960
    41  H    4.929654   6.428194   3.831338   3.410960   4.447808
    42  C    6.331644   7.046000   5.935698   5.525440   6.913706
    43  H    6.377939   7.202859   6.012246   5.429182   6.995784
    44  H    7.367873   8.069818   6.895575   6.495879   7.830347
    45  H    6.160653   6.556485   5.999330   5.724859   7.035817
    46  C    5.330807   6.059401   4.751084   4.749170   5.585295
    47  H    4.978611   5.913376   4.189970   4.295447   4.876797
    48  H    4.862035   5.266214   4.580143   4.704429   5.500061
    49  H    6.382499   6.985075   5.804920   5.831370   6.592760
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389730   0.000000
    23  H    3.830893   1.102326   0.000000
    24  H    3.606285   1.102349   1.789579   0.000000
    25  H    4.177782   1.098916   1.797430   1.795232   0.000000
    26  C    6.514137   6.463495   7.565680   6.195773   6.171946
    27  O    6.899058   7.332018   8.427862   7.006861   7.168574
    28  N    5.649103   5.594192   6.683629   5.531135   5.250677
    29  H    7.097315   6.541100   7.626896   6.196355   6.150672
    30  C    5.779535   4.935822   5.983246   5.005531   4.347503
    31  H    6.419911   5.586222   6.570240   5.818760   4.888819
    32  H    4.882005   3.883684   4.919878   4.060139   3.318417
    33  H    6.436833   5.161342   6.192833   5.074461   4.507612
    34  C    5.090357   5.810920   6.848355   5.898278   5.616963
    35  H    5.915067   6.641443   7.647637   6.834434   6.353131
    36  H    5.086963   6.274307   7.305796   6.236290   6.242537
    37  H    4.178610   4.980044   5.966597   5.202042   4.842117
    38  C    3.898581   6.013982   6.651619   5.473698   6.764415
    39  O    4.693238   6.268930   6.855887   5.545413   7.038883
    40  N    4.185324   6.339231   7.126635   5.888790   6.923409
    41  H    3.246305   5.801529   6.320566   5.408720   6.640791
    42  C    5.370597   7.001716   7.889904   6.440495   7.438756
    43  H    5.630790   6.832797   7.698666   6.126124   7.280217
    44  H    6.259676   8.083977   8.954950   7.526358   8.533509
    45  H    5.420842   6.845469   7.816955   6.370360   7.133812
    46  C    3.846275   6.433770   7.223496   6.226587   6.954474
    47  H    3.198928   6.187919   6.853827   6.082808   6.814820
    48  H    3.714468   5.964553   6.843104   5.839592   6.337227
    49  H    4.853332   7.514602   8.309363   7.319695   8.001339
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242666   0.000000
    28  N    1.360902   2.315337   0.000000
    29  H    1.107846   2.057237   2.056878   0.000000
    30  C    2.465739   3.634895   1.463058   2.561604   0.000000
    31  H    3.137418   4.228833   2.116785   3.261722   1.103023
    32  H    3.231243   4.324411   2.109082   3.391440   1.102477
    33  H    2.553183   3.795587   2.103079   2.161175   1.098503
    34  C    2.462761   2.852370   1.465124   3.413480   2.496725
    35  H    3.026864   3.330791   2.123114   3.941989   2.947261
    36  H    2.583246   2.497648   2.099977   3.658085   3.389928
    37  H    3.291889   3.806277   2.099029   4.115542   2.617923
    38  C    6.203966   5.987878   6.127259   6.795317   6.921963
    39  O    6.606094   6.413209   6.689673   7.031278   7.409218
    40  N    5.264272   4.893247   5.252260   5.990509   6.253055
    41  H    6.825175   6.696564   6.544599   7.465544   7.238050
    42  C    4.581910   3.999283   4.940169   5.237391   6.085776
    43  H    4.716184   4.265177   5.191152   5.158140   6.194900
    44  H    5.291310   4.500876   5.761002   5.974887   7.002373
    45  H    3.575176   2.943593   3.971190   4.325564   5.216285
    46  C    5.294975   4.938746   5.023414   6.194875   6.059188
    47  H    6.112924   5.892625   5.659082   6.988116   6.525015
    48  H    4.397829   4.160522   3.997223   5.342702   5.039918
    49  H    5.725312   5.159784   5.571268   6.690970   6.742388
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787938   0.000000
    33  H    1.798447   1.794374   0.000000
    34  C    2.809843   2.739229   3.420403   0.000000
    35  H    2.845256   3.350480   3.900488   1.103484   0.000000
    36  H    3.840194   3.607579   4.172321   1.097255   1.796231
    37  H    2.943573   2.405311   3.635826   1.099651   1.790603
    38  C    7.845940   6.487184   7.296492   5.796085   6.779461
    39  O    8.411796   6.994686   7.614622   6.596459   7.630651
    40  N    7.115530   5.983163   6.702003   4.809572   5.728969
    41  H    8.096511   6.675053   7.716487   6.050288   6.989603
    42  C    6.980014   6.053440   6.378763   4.762210   5.656581
    43  H    7.179284   6.144397   6.313736   5.292587   6.260514
    44  H    7.844753   7.046708   7.302044   5.498306   6.280518
    45  H    6.055418   5.314337   5.546480   3.813695   4.668047
    46  C    6.754113   5.775652   6.720725   4.197264   4.962342
    47  H    7.183412   6.076900   7.242641   4.754225   5.492231
    48  H    5.684556   4.806455   5.764227   3.100402   3.879681
    49  H    7.362216   6.581962   7.424460   4.644909   5.246436
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796514   0.000000
    38  C    5.123209   5.548691   0.000000
    39  O    5.961185   6.406095   1.242844   0.000000
    40  N    3.996204   4.739827   1.361245   2.316215   0.000000
    41  H    5.458430   5.624464   1.108859   2.058315   2.057311
    42  C    3.868481   5.003303   2.468950   2.862876   1.465736
    43  H    4.530666   5.511545   2.575714   2.480177   2.103146
    44  H    4.504564   5.831574   3.072839   3.408182   2.120016
    45  H    2.905525   4.212981   3.271329   3.778233   2.099250
    46  C    3.372778   4.039466   2.467441   3.636630   1.463549
    47  H    4.091775   4.355956   2.553323   3.795549   2.106043
    48  H    2.327646   2.964166   3.168189   4.249808   2.108343
    49  H    3.691810   4.654413   3.203283   4.305969   2.113813
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.417985   0.000000
    43  H    3.653612   1.097984   0.000000
    44  H    3.981905   1.102774   1.797811   0.000000
    45  H    4.092981   1.100725   1.796271   1.792937   0.000000
    46  C    2.562336   2.491755   3.384255   2.950927   2.599829
    47  H    2.157853   3.420465   4.180516   3.887411   3.636260
    48  H    3.311430   2.756281   3.601958   3.395124   2.420350
    49  H    3.345095   2.773743   3.813703   2.824083   2.867704
                   46         47         48         49
    46  C    0.000000
    47  H    1.098582   0.000000
    48  H    1.102959   1.794546   0.000000
    49  H    1.102113   1.796809   1.790455   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2139213      0.1941253      0.1846996
 Leave Link  202 at Mon Nov 14 03:17:41 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.6439610285 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841825034 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.4597785251 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4031
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.26D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     220
 GePol: Fraction of low-weight points (<1% of avg)   =       5.46%
 GePol: Cavity surface area                          =    467.416 Ang**2
 GePol: Cavity volume                                =    457.954 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040109056 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.4557676194 Hartrees.
 Leave Link  301 at Mon Nov 14 03:17:41 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:17:43 2016, MaxMem=  2952790016 cpu:        14.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:17:43 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001067   -0.000099   -0.001128
         Rot=    1.000000    0.000043   -0.000026    0.000000 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50894754917    
 Leave Link  401 at Mon Nov 14 03:17:49 2016, MaxMem=  2952790016 cpu:        79.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48746883.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.09D-14 for   2905.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.53D-15 for   2101   1089.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.20D-14 for   3354.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.14D-09 for   1456   1425.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.09D-14 for    516.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.31D-14 for   2450    176.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.89D-15 for   2487.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.72D-16 for   1924    303.
 E= -1013.45124375207    
 DIIS: error= 2.09D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45124375207     IErMin= 1 ErrMin= 2.09D-04
 ErrMax= 2.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.05D-05 BMatP= 5.05D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.09D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.21D-05 MaxDP=1.51D-03              OVMax= 2.34D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.21D-05    CP:  1.00D+00
 E= -1013.45133245472     Delta-E=       -0.000088702658 Rises=F Damp=F
 DIIS: error= 2.91D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45133245472     IErMin= 2 ErrMin= 2.91D-05
 ErrMax= 2.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.51D-07 BMatP= 5.05D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D-01 0.980D+00
 Coeff:      0.199D-01 0.980D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.83D-06 MaxDP=2.78D-04 DE=-8.87D-05 OVMax= 4.51D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.60D-06    CP:  1.00D+00  9.58D-01
 E= -1013.45133121872     Delta-E=        0.000001235999 Rises=F Damp=F
 DIIS: error= 6.64D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45133245472     IErMin= 2 ErrMin= 2.91D-05
 ErrMax= 6.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-06 BMatP= 8.51D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.217D-02 0.637D+00 0.361D+00
 Coeff:      0.217D-02 0.637D+00 0.361D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.81D-06 MaxDP=3.19D-04 DE= 1.24D-06 OVMax= 5.23D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.87D-06    CP:  1.00D+00  9.70D-01  4.20D-01
 E= -1013.45133292534     Delta-E=       -0.000001706619 Rises=F Damp=F
 DIIS: error= 2.45D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45133292534     IErMin= 4 ErrMin= 2.45D-05
 ErrMax= 2.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-07 BMatP= 8.51D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.198D-03 0.302D+00 0.272D+00 0.427D+00
 Coeff:     -0.198D-03 0.302D+00 0.272D+00 0.427D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.80D-06 MaxDP=1.23D-04 DE=-1.71D-06 OVMax= 2.07D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.95D-07    CP:  1.00D+00  9.73D-01  4.76D-01  4.55D-01
 E= -1013.45133321185     Delta-E=       -0.000000286508 Rises=F Damp=F
 DIIS: error= 6.10D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45133321185     IErMin= 5 ErrMin= 6.10D-06
 ErrMax= 6.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-08 BMatP= 3.62D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.149D-04 0.149D+00 0.152D+00 0.288D+00 0.411D+00
 Coeff:     -0.149D-04 0.149D+00 0.152D+00 0.288D+00 0.411D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.41D-07 MaxDP=1.98D-05 DE=-2.87D-07 OVMax= 3.39D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.76D-07    CP:  1.00D+00  9.74D-01  4.69D-01  4.99D-01  6.06D-01
 E= -1013.45133323592     Delta-E=       -0.000000024067 Rises=F Damp=F
 DIIS: error= 9.02D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45133323592     IErMin= 6 ErrMin= 9.02D-07
 ErrMax= 9.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-10 BMatP= 2.82D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.232D-05 0.683D-01 0.719D-01 0.141D+00 0.228D+00 0.491D+00
 Coeff:      0.232D-05 0.683D-01 0.719D-01 0.141D+00 0.228D+00 0.491D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.53D-08 MaxDP=4.31D-06 DE=-2.41D-08 OVMax= 6.88D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.93D-08    CP:  1.00D+00  9.74D-01  4.70D-01  5.02D-01  6.14D-01
                    CP:  9.03D-01
 E= -1013.45133323650     Delta-E=       -0.000000000583 Rises=F Damp=F
 DIIS: error= 2.63D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45133323650     IErMin= 7 ErrMin= 2.63D-07
 ErrMax= 2.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.60D-11 BMatP= 7.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.855D-05 0.129D-01 0.144D-01 0.298D-01 0.557D-01 0.254D+00
 Coeff-Com:  0.634D+00
 Coeff:     -0.855D-05 0.129D-01 0.144D-01 0.298D-01 0.557D-01 0.254D+00
 Coeff:      0.634D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.37D-08 MaxDP=1.14D-06 DE=-5.83D-10 OVMax= 1.44D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.91D-08    CP:  1.00D+00  9.74D-01  4.70D-01  5.02D-01  6.12D-01
                    CP:  9.02D-01  8.06D-01
 E= -1013.45133323655     Delta-E=       -0.000000000049 Rises=F Damp=F
 DIIS: error= 2.49D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45133323655     IErMin= 8 ErrMin= 2.49D-08
 ErrMax= 2.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-12 BMatP= 5.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.536D-05 0.186D-02 0.224D-02 0.483D-02 0.103D-01 0.671D-01
 Coeff-Com:  0.218D+00 0.696D+00
 Coeff:     -0.536D-05 0.186D-02 0.224D-02 0.483D-02 0.103D-01 0.671D-01
 Coeff:      0.218D+00 0.696D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.92D-09 MaxDP=2.20D-07 DE=-4.91D-11 OVMax= 2.21D-07

 Error on total polarization charges =  0.04310
 SCF Done:  E(RB97D) =  -1013.45133324     A.U. after    8 cycles
            NFock=  8  Conv=0.49D-08     -V/T= 2.0213
 KE= 9.923518965503D+02 PE=-6.028431147794D+03 EE= 2.174172150387D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:19:33 2016, MaxMem=  2952790016 cpu:      1184.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11977 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 03:19:41 2016, MaxMem=  2952790016 cpu:        97.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:19:42 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:20:18 2016, MaxMem=  2952790016 cpu:       441.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21331587D+00-2.60971529D+00 3.29369154D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000006826    0.000480567    0.000032113
      2        6          -0.000008216    0.000010450    0.000443664
      3        8          -0.000055238   -0.000190423   -0.000298389
      4        7           0.000000633    0.000232183    0.000172373
      5        1           0.000157639    0.000118743   -0.000184637
      6        6          -0.000058618    0.000173819   -0.000897305
      7        1          -0.000034652   -0.000055418    0.000022387
      8        1           0.000209953   -0.000223958    0.000568113
      9        1           0.000066940    0.000278925    0.000153120
     10        6          -0.000177166    0.000088002    0.000010367
     11        1          -0.000069742   -0.000092913   -0.000107116
     12        1           0.000054285    0.000021182    0.000010743
     13        1           0.000035771    0.000031540    0.000008016
     14        6           0.000070389   -0.000008551   -0.000014133
     15        8          -0.000009339   -0.000020914   -0.000006488
     16        7           0.000013761    0.000078002    0.000016451
     17        1           0.000025370   -0.000033548    0.000012047
     18        6           0.000039437   -0.000163312    0.000051865
     19        1          -0.000026567    0.000204837   -0.000209746
     20        1          -0.000004596   -0.000012712   -0.000043418
     21        1          -0.000035260   -0.000049404   -0.000001587
     22        6          -0.000009863   -0.000060642   -0.000057839
     23        1           0.000019195   -0.000022154   -0.000062024
     24        1           0.000026320    0.000110855   -0.000071575
     25        1           0.000014698    0.000036358   -0.000030906
     26        6           0.000183227    0.000060848   -0.000092538
     27        8          -0.000122664   -0.000031395    0.000146879
     28        7           0.000051203   -0.000047327    0.000150531
     29        1          -0.000001604   -0.000000340    0.000030928
     30        6          -0.000260702   -0.000210452   -0.000037785
     31        1           0.000004499    0.000075682    0.000052387
     32        1           0.000258596    0.000116778    0.000094432
     33        1          -0.000022445   -0.000043341   -0.000026470
     34        6           0.000015484   -0.000029645   -0.000011367
     35        1          -0.000014255   -0.000012726   -0.000014382
     36        1          -0.000036937    0.000020512    0.000019836
     37        1          -0.000020255   -0.000025149   -0.000032744
     38        6          -0.000104217   -0.000210421    0.000268386
     39        8           0.000289851   -0.000334338    0.000226252
     40        7          -0.000279632   -0.000118079   -0.000177363
     41        1          -0.000090346   -0.000092126   -0.000138869
     42        6          -0.000280830   -0.000293877    0.000272928
     43        1           0.000059473    0.000093799    0.000066107
     44        1           0.000382229    0.000051506   -0.000137767
     45        1          -0.000126385    0.000164103    0.000013178
     46        6          -0.000035320    0.000053876   -0.000151360
     47        1          -0.000063822    0.000017116   -0.000029884
     48        1           0.000009905   -0.000142077    0.000044367
     49        1          -0.000047013    0.000005557   -0.000051777
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000897305 RMS     0.000158941
 Leave Link  716 at Mon Nov 14 03:20:19 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000478363 RMS     0.000043053
 Search for a local minimum.
 Step number  70 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .43053D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   43   44   45   46   47
                                                     48   49   51   53   55
                                                     56   57   59   60   61
                                                     62   63   64   65   66
                                                     67   68   69   70
 DE= -6.73D-06 DEPred=-9.18D-06 R= 7.34D-01
 TightC=F SS=  1.41D+00  RLast= 1.09D-01 DXNew= 1.6682D-01 3.2573D-01
 Trust test= 7.34D-01 RLast= 1.09D-01 DXMaxT set to 1.67D-01
 ITU=  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0
 ITU=  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00000   0.00006   0.00018   0.00031   0.00085
     Eigenvalues ---    0.00152   0.00192   0.00219   0.00330   0.00379
     Eigenvalues ---    0.00411   0.00488   0.00550   0.00655   0.00719
     Eigenvalues ---    0.00752   0.00779   0.00852   0.01005   0.01010
     Eigenvalues ---    0.01083   0.01146   0.01165   0.01246   0.01282
     Eigenvalues ---    0.01343   0.01395   0.01498   0.01582   0.01647
     Eigenvalues ---    0.01684   0.01699   0.01789   0.01850   0.01883
     Eigenvalues ---    0.01915   0.02030   0.02064   0.02125   0.02217
     Eigenvalues ---    0.02314   0.02375   0.02588   0.02868   0.03053
     Eigenvalues ---    0.03075   0.03586   0.03993   0.04287   0.04343
     Eigenvalues ---    0.04584   0.05260   0.05309   0.05559   0.05888
     Eigenvalues ---    0.06155   0.06308   0.06374   0.06531   0.06798
     Eigenvalues ---    0.06883   0.07207   0.07605   0.07941   0.08012
     Eigenvalues ---    0.08060   0.08140   0.08159   0.08372   0.08450
     Eigenvalues ---    0.08579   0.08778   0.08953   0.09153   0.09454
     Eigenvalues ---    0.09631   0.09766   0.09822   0.10019   0.10178
     Eigenvalues ---    0.10296   0.10452   0.10498   0.10842   0.10883
     Eigenvalues ---    0.11196   0.11245   0.11455   0.11631   0.13124
     Eigenvalues ---    0.13482   0.14163   0.14447   0.14959   0.15185
     Eigenvalues ---    0.15587   0.16043   0.20121   0.22137   0.22606
     Eigenvalues ---    0.23555   0.23714   0.24775   0.25475   0.25698
     Eigenvalues ---    0.26949   0.27526   0.28040   0.29230   0.29639
     Eigenvalues ---    0.29833   0.31045   0.32796   0.32815   0.32823
     Eigenvalues ---    0.32860   0.33291   0.33348   0.33368   0.33374
     Eigenvalues ---    0.33393   0.33422   0.33485   0.33499   0.33694
     Eigenvalues ---    0.33790   0.33811   0.33835   0.33923   0.33959
     Eigenvalues ---    0.34013   0.34038   0.34156   0.37261   0.38962
     Eigenvalues ---    0.40719   0.41194   0.85877   0.86065   0.86287
     Eigenvalues ---    0.88374
 Eigenvalue     1 is   4.10D-07 Eigenvector:
                         D486       R18      D354      D488      D487
   1                   -0.16607  -0.16372   0.16292  -0.16201  -0.15395
                         D355      D356      D357       R4       D352
   1                    0.14354   0.14088   0.12150  -0.12005   0.11919
 Eigenvalue     2 is   6.06D-05 Eigenvector:
                         D407      D405      D375      D377      D403
   1                   -0.22086  -0.20328  -0.19984  -0.19858  -0.19738
                         D379      D371      D369      D397      D395
   1                   -0.19628  -0.19420  -0.19379  -0.19357  -0.19284
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    70   69   68   67   66
 RFO step:  Lambda=-6.60222275D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.95D-05 SmlDif=  1.00D-05
 RMS Error=  0.3883644411D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.65868    0.19271    0.65677   -1.21296    0.70480
 Iteration  1 RMS(Cart)=  0.00306705 RMS(Int)=  0.00010368
 Iteration  2 RMS(Cart)=  0.00004319 RMS(Int)=  0.00004176
 Iteration  3 RMS(Cart)=  0.00000005 RMS(Int)=  0.00004176
 ITry= 1 IFail=0 DXMaxC= 4.28D-02 DCOld= 1.00D+10 DXMaxT= 1.67D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58911   0.00000  -0.00250   0.00164  -0.00089   6.58822
    R2        6.26170   0.00008   0.00339   0.00012   0.00352   6.26522
    R3        7.24785   0.00024   0.00707  -0.00235   0.00477   7.25262
    R4        6.33490  -0.00001   0.01354  -0.00428   0.00924   6.34414
    R5        6.53107  -0.00004   0.00056   0.00374   0.00430   6.53537
    R6        5.98592   0.00001   0.00352  -0.00537  -0.00185   5.98407
    R7        6.69729   0.00003   0.00097  -0.00082   0.00015   6.69744
    R8        6.23209  -0.00001  -0.00024   0.00009  -0.00017   6.23193
    R9        6.65854   0.00003   0.00188   0.00027   0.00214   6.66068
   R10        6.08223  -0.00003   0.00198  -0.00288  -0.00091   6.08133
   R11        6.96173   0.00001  -0.00195   0.00079  -0.00119   6.96054
   R12        6.03030  -0.00002  -0.00162  -0.00045  -0.00206   6.02824
   R13        6.87628   0.00006  -0.00043   0.00392   0.00351   6.87979
   R14        6.19592   0.00003  -0.00260   0.00274   0.00017   6.19609
   R15        6.87504  -0.00001  -0.00311   0.00220  -0.00088   6.87416
   R16        5.95761   0.00005   0.00225  -0.00201   0.00024   5.95786
   R17        6.69028  -0.00001  -0.00464   0.00491   0.00028   6.69056
   R18        6.63212  -0.00017  -0.00059  -0.01051  -0.01105   6.62106
   R19        6.21333  -0.00007  -0.00043   0.00030   0.00000   6.21332
   R20        6.60363  -0.00005  -0.00193  -0.00071  -0.00259   6.60104
   R21        6.08493   0.00008  -0.00611   0.01686   0.01065   6.09558
   R22        6.96569  -0.00005  -0.00580   0.01569   0.01004   6.97573
   R23        5.98411   0.00004  -0.00301   0.00969   0.00665   5.99076
   R24        2.34944   0.00033   0.00009   0.00017   0.00026   2.34969
   R25        2.57137  -0.00003  -0.00041   0.00060   0.00017   2.57155
   R26        2.09490  -0.00003   0.00010  -0.00020  -0.00010   2.09481
   R27        2.76579  -0.00007  -0.00105   0.00166   0.00061   2.76640
   R28        2.76865  -0.00001  -0.00057   0.00058   0.00000   2.76865
   R29        2.07658  -0.00003   0.00013  -0.00021  -0.00009   2.07649
   R30        2.08034   0.00048   0.00129  -0.00130  -0.00011   2.08023
   R31        2.08260   0.00008   0.00009   0.00000   0.00010   2.08270
   R32        2.08092  -0.00003  -0.00007   0.00030   0.00025   2.08117
   R33        2.07472  -0.00001  -0.00009   0.00009   0.00000   2.07472
   R34        2.08341   0.00002   0.00000   0.00001   0.00001   2.08342
   R35        2.34882   0.00003  -0.00004   0.00006   0.00002   2.34884
   R36        2.57136   0.00006   0.00004   0.00007   0.00011   2.57146
   R37        2.09413   0.00000   0.00002   0.00001   0.00002   2.09416
   R38        2.76860   0.00001  -0.00018   0.00017   0.00002   2.76862
   R39        2.76480   0.00006   0.00007  -0.00004   0.00003   2.76482
   R40        2.08093   0.00018   0.00044  -0.00037   0.00008   2.08100
   R41        2.08398   0.00001   0.00003  -0.00001   0.00002   2.08401
   R42        2.07420   0.00002   0.00002  -0.00009  -0.00007   2.07413
   R43        2.08309   0.00003  -0.00001   0.00005   0.00004   2.08314
   R44        2.08314   0.00005   0.00029  -0.00041  -0.00001   2.08313
   R45        2.07665  -0.00002   0.00002  -0.00006  -0.00003   2.07661
   R46        2.34830   0.00005   0.00015  -0.00026  -0.00011   2.34819
   R47        2.57173   0.00002   0.00027  -0.00017   0.00007   2.57180
   R48        2.09352   0.00000  -0.00002   0.00003   0.00001   2.09353
   R49        2.76478   0.00001   0.00039  -0.00006   0.00029   2.76507
   R50        2.76868  -0.00004   0.00038  -0.00041  -0.00005   2.76863
   R51        2.08441  -0.00002  -0.00005   0.00007   0.00001   2.08442
   R52        2.08338  -0.00019  -0.00049   0.00043  -0.00015   2.08322
   R53        2.07587   0.00000   0.00001  -0.00008  -0.00007   2.07580
   R54        2.08528  -0.00002  -0.00007   0.00005  -0.00002   2.08527
   R55        2.07351   0.00004   0.00015  -0.00003   0.00012   2.07363
   R56        2.07804   0.00002  -0.00011   0.00010  -0.00001   2.07803
   R57        2.34864  -0.00041   0.00022  -0.00019   0.00003   2.34867
   R58        2.57238  -0.00018  -0.00013  -0.00027  -0.00060   2.57178
   R59        2.09544   0.00005   0.00005  -0.00028  -0.00023   2.09521
   R60        2.76984   0.00013  -0.00135   0.00245   0.00098   2.77082
   R61        2.76571  -0.00014   0.00012  -0.00138  -0.00148   2.76423
   R62        2.07489  -0.00002   0.00023  -0.00045  -0.00022   2.07467
   R63        2.08394  -0.00009   0.00009  -0.00030  -0.00020   2.08374
   R64        2.08007  -0.00014   0.00058  -0.00017   0.00028   2.08035
   R65        2.07602  -0.00001   0.00005  -0.00001   0.00004   2.07606
   R66        2.08429   0.00008  -0.00045   0.00036  -0.00014   2.08415
   R67        2.08269  -0.00002  -0.00014   0.00011  -0.00003   2.08266
    A1        0.68087  -0.00002  -0.00065   0.00061  -0.00006   0.68082
    A2        0.95690   0.00004  -0.00020   0.00025   0.00004   0.95694
    A3        0.72763  -0.00003  -0.00006  -0.00021  -0.00027   0.72736
    A4        1.01911  -0.00002  -0.00033   0.00002  -0.00031   1.01880
    A5        2.34239   0.00000   0.00202  -0.00214  -0.00011   2.34228
    A6        2.02480   0.00000   0.00168  -0.00150   0.00018   2.02498
    A7        1.98260   0.00000   0.00077  -0.00011   0.00066   1.98327
    A8        1.68932  -0.00002   0.00055   0.00059   0.00114   1.69046
    A9        1.65410  -0.00002   0.00179  -0.00184  -0.00006   1.65404
   A10        1.37312  -0.00002   0.00164  -0.00167  -0.00006   1.37306
   A11        1.73076   0.00000   0.00033  -0.00076  -0.00040   1.73036
   A12        2.03426   0.00000   0.00052  -0.00150  -0.00095   2.03330
   A13        1.93745   0.00000   0.00078  -0.00225  -0.00144   1.93601
   A14        2.02145  -0.00001   0.00221  -0.00352  -0.00129   2.02016
   A15        2.42976   0.00000   0.00072  -0.00145  -0.00071   2.42905
   A16        1.57876   0.00006  -0.00575   0.00933   0.00349   1.58225
   A17        1.77981   0.00002  -0.00523   0.00783   0.00261   1.78241
   A18        1.56038   0.00002  -0.00349   0.00496   0.00144   1.56182
   A19        1.70022   0.00001  -0.00274   0.00516   0.00245   1.70267
   A20        2.18663   0.00000  -0.00481   0.00630   0.00154   2.18818
   A21        2.40366   0.00003  -0.00466   0.00733   0.00269   2.40635
   A22        0.64419   0.00002  -0.00153   0.00095  -0.00059   0.64360
   A23        0.65856   0.00000  -0.00057   0.00037  -0.00019   0.65836
   A24        2.39175   0.00002   0.00205  -0.00170   0.00036   2.39210
   A25        2.22153   0.00002   0.00177  -0.00100   0.00077   2.22230
   A26        2.32411   0.00001   0.00091   0.00014   0.00105   2.32516
   A27        2.05999  -0.00002   0.00057   0.00098   0.00154   2.06154
   A28        1.81422   0.00001   0.00164  -0.00097   0.00067   1.81489
   A29        1.57410   0.00000   0.00153  -0.00088   0.00062   1.57472
   A30        1.33757   0.00000   0.00054  -0.00113  -0.00055   1.33701
   A31        1.63525   0.00001   0.00042  -0.00139  -0.00094   1.63431
   A32        1.58287   0.00001   0.00023  -0.00137  -0.00111   1.58176
   A33        1.73126   0.00001   0.00138  -0.00221  -0.00081   1.73044
   A34        2.03291   0.00000   0.00086  -0.00175  -0.00086   2.03205
   A35        1.83850   0.00005  -0.00496   0.00878   0.00375   1.84226
   A36        1.90803   0.00000  -0.00395   0.00640   0.00245   1.91048
   A37        1.56189  -0.00001  -0.00256   0.00407   0.00146   1.56335
   A38        1.58088  -0.00001  -0.00180   0.00420   0.00241   1.58329
   A39        2.26778  -0.00002  -0.00262   0.00328   0.00072   2.26850
   A40        2.35802   0.00000  -0.00215   0.00477   0.00265   2.36066
   A41        0.68917  -0.00002  -0.00068   0.00022  -0.00046   0.68872
   A42        0.74524   0.00000  -0.00107   0.00101  -0.00007   0.74518
   A43        2.65593   0.00000   0.00134  -0.00096   0.00040   2.65633
   A44        2.60070  -0.00001   0.00112  -0.00046   0.00066   2.60137
   A45        2.66193  -0.00002   0.00009   0.00044   0.00053   2.66246
   A46        2.35724  -0.00004  -0.00006   0.00081   0.00076   2.35800
   A47        2.19352  -0.00002   0.00095  -0.00037   0.00057   2.19409
   A48        1.96004  -0.00003   0.00085  -0.00041   0.00041   1.96045
   A49        1.09366   0.00002   0.00005  -0.00008   0.00000   1.09366
   A50        1.45287   0.00002  -0.00015  -0.00018  -0.00031   1.45256
   A51        1.55154   0.00002  -0.00061   0.00014  -0.00045   1.55108
   A52        1.78449  -0.00001   0.00024  -0.00049  -0.00026   1.78424
   A53        1.78089   0.00002   0.00061  -0.00083  -0.00020   1.78070
   A54        1.69399   0.00006  -0.00332   0.00721   0.00384   1.69783
   A55        1.63416   0.00003  -0.00231   0.00469   0.00238   1.63654
   A56        1.23624   0.00002  -0.00141   0.00314   0.00166   1.23790
   A57        1.20607   0.00002  -0.00089   0.00350   0.00260   1.20867
   A58        1.93427   0.00001  -0.00084   0.00133   0.00054   1.93481
   A59        1.97934   0.00003  -0.00102   0.00379   0.00280   1.98214
   A60        0.84285   0.00001  -0.00345   0.00198  -0.00147   0.84137
   A61        0.77855   0.00001  -0.00482   0.00356  -0.00127   0.77728
   A62        2.60012  -0.00004  -0.00272   0.00202  -0.00071   2.59941
   A63        2.76902   0.00000  -0.00239   0.00210  -0.00026   2.76876
   A64        2.61364   0.00001   0.00179  -0.00082   0.00100   2.61464
   A65        2.39477   0.00001  -0.00187   0.00174  -0.00012   2.39465
   A66        2.20044   0.00001  -0.00102   0.00094  -0.00010   2.20034
   A67        0.85364  -0.00004  -0.00266   0.00214  -0.00053   0.85311
   A68        1.22959  -0.00004  -0.00305   0.00219  -0.00087   1.22872
   A69        1.40831  -0.00003  -0.00450   0.00331  -0.00120   1.40712
   A70        1.67784  -0.00005  -0.00403   0.00297  -0.00108   1.67675
   A71        1.51966  -0.00004  -0.00103   0.00055  -0.00049   1.51917
   A72        1.70491   0.00007   0.00185   0.00303   0.00486   1.70978
   A73        1.54127   0.00003   0.00246   0.00083   0.00329   1.54456
   A74        1.11376   0.00000   0.00280   0.00010   0.00282   1.11658
   A75        1.00724  -0.00001   0.00234   0.00120   0.00347   1.01071
   A76        1.76539  -0.00001   0.00323  -0.00206   0.00120   1.76659
   A77        1.75357  -0.00001   0.00181   0.00157   0.00339   1.75696
   A78        1.99365   0.00001   0.00211  -0.00139   0.00073   1.99438
   A79        1.93937   0.00000   0.00182  -0.00051   0.00132   1.94069
   A80        2.21967  -0.00001   0.00119   0.00040   0.00160   2.22127
   A81        2.07810  -0.00003   0.00065   0.00170   0.00235   2.08045
   A82        1.55202  -0.00001   0.00153  -0.00018   0.00135   1.55337
   A83        1.38643  -0.00002   0.00140  -0.00009   0.00129   1.38772
   A84        1.19714   0.00002   0.00173  -0.00281  -0.00105   1.19609
   A85        1.38040   0.00002   0.00144  -0.00275  -0.00129   1.37911
   A86        1.21087   0.00003   0.00095  -0.00221  -0.00124   1.20964
   A87        1.31315   0.00002   0.00187  -0.00261  -0.00072   1.31243
   A88        1.80674   0.00002   0.00180  -0.00314  -0.00131   1.80543
   A89        2.26987   0.00004  -0.00535   0.00882   0.00344   2.27331
   A90        2.31694   0.00001  -0.00344   0.00546   0.00204   2.31898
   A91        1.92468   0.00000  -0.00205   0.00327   0.00120   1.92587
   A92        1.84939   0.00000  -0.00098   0.00297   0.00201   1.85139
   A93        2.60801   0.00000  -0.00046   0.00014  -0.00025   2.60777
   A94        2.54604   0.00002   0.00111   0.00054   0.00169   2.54773
   A95        1.91165  -0.00001   0.00241  -0.00194   0.00047   1.91212
   A96        1.99304  -0.00001   0.00223  -0.00126   0.00098   1.99401
   A97        2.37012  -0.00002   0.00181  -0.00070   0.00112   2.37124
   A98        2.32549  -0.00003   0.00113   0.00089   0.00203   2.32752
   A99        1.66550  -0.00002   0.00183  -0.00074   0.00109   1.66660
   A100       1.57296  -0.00003   0.00169  -0.00070   0.00098   1.57394
   A101       0.89050   0.00003   0.00175  -0.00251  -0.00075   0.88975
   A102       1.05846   0.00003   0.00143  -0.00246  -0.00100   1.05745
   A103       0.92627   0.00002   0.00088  -0.00187  -0.00097   0.92530
   A104       1.08414   0.00000   0.00172  -0.00224  -0.00051   1.08362
   A105       1.48471   0.00002   0.00180  -0.00285  -0.00103   1.48368
   A106       2.43875   0.00006  -0.00453   0.00834   0.00378   2.44253
   A107       2.31688   0.00004  -0.00191   0.00383   0.00195   2.31883
   A108       1.88593   0.00002  -0.00157   0.00319   0.00158   1.88751
   A109       1.71638   0.00002  -0.00066   0.00286   0.00219   1.71857
   A110       2.44440   0.00003   0.00179  -0.00225  -0.00044   2.44396
   A111       2.28175   0.00003   0.00225  -0.00067   0.00159   2.28334
   A112       0.71366   0.00001  -0.00015   0.00003  -0.00011   0.71355
   A113       1.00477   0.00003  -0.00014   0.00010  -0.00003   1.00475
   A114       0.69520   0.00002   0.00010  -0.00005   0.00005   0.69525
   A115       0.98257   0.00002   0.00022  -0.00017   0.00007   0.98265
   A116       1.80649  -0.00001   0.00148  -0.00151  -0.00006   1.80643
   A117       1.42530  -0.00001   0.00136  -0.00120   0.00014   1.42544
   A118       1.19402  -0.00001   0.00191  -0.00145   0.00045   1.19447
   A119       0.92251   0.00001   0.00128  -0.00091   0.00038   0.92289
   A120       1.24884  -0.00001   0.00010  -0.00035  -0.00026   1.24858
   A121       1.93048  -0.00006   0.00181  -0.00608  -0.00423   1.92625
   A122       1.97200  -0.00002   0.00146  -0.00424  -0.00279   1.96921
   A123       2.32642  -0.00001   0.00065  -0.00245  -0.00175   2.32467
   A124       2.23983  -0.00001   0.00058  -0.00298  -0.00240   2.23743
   A125       1.62320   0.00000   0.00068  -0.00174  -0.00111   1.62210
   A126       1.49330  -0.00002   0.00135  -0.00425  -0.00292   1.49038
   A127       0.65527   0.00002  -0.00009   0.00020   0.00012   0.65539
   A128       0.66059   0.00002   0.00015   0.00001   0.00019   0.66078
   A129       2.17090   0.00000   0.00178  -0.00172   0.00005   2.17095
   A130       1.79787   0.00000   0.00147  -0.00130   0.00017   1.79804
   A131       1.50663  -0.00001   0.00200  -0.00159   0.00041   1.50704
   A132       1.21528   0.00002   0.00159  -0.00127   0.00033   1.21561
   A133       1.64201   0.00000   0.00002  -0.00026  -0.00025   1.64176
   A134       1.77697  -0.00005   0.00032  -0.00462  -0.00428   1.77269
   A135       1.97225  -0.00002  -0.00010  -0.00289  -0.00299   1.96926
   A136       2.40040   0.00000  -0.00041  -0.00220  -0.00256   2.39783
   A137       2.47631   0.00000  -0.00030  -0.00303  -0.00328   2.47303
   A138       1.73417   0.00000  -0.00099  -0.00015  -0.00117   1.73300
   A139       1.70215  -0.00002   0.00007  -0.00349  -0.00343   1.69872
   A140       0.70462   0.00000  -0.00001   0.00004   0.00003   0.70465
   A141       0.83325   0.00001  -0.00019   0.00048   0.00031   0.83356
   A142       2.49725   0.00000   0.00075  -0.00106  -0.00028   2.49697
   A143       2.11784   0.00000   0.00094  -0.00093   0.00002   2.11785
   A144       1.90303  -0.00001   0.00180  -0.00148   0.00032   1.90335
   A145       1.62013   0.00002   0.00132  -0.00110   0.00024   1.62037
   A146       1.83437   0.00000  -0.00044   0.00017  -0.00028   1.83409
   A147       1.35148  -0.00005   0.00027  -0.00441  -0.00413   1.34735
   A148       1.58617  -0.00002  -0.00066  -0.00214  -0.00281   1.58336
   A149       2.01603   0.00000  -0.00068  -0.00192  -0.00259   2.01345
   A150       2.19207   0.00000  -0.00088  -0.00255  -0.00343   2.18864
   A151       1.43837   0.00000  -0.00213   0.00112  -0.00103   1.43734
   A152       1.50508  -0.00001  -0.00127  -0.00224  -0.00352   1.50156
   A153       0.76491   0.00001  -0.00002   0.00056   0.00054   0.76546
   A154       0.76682   0.00000  -0.00030   0.00127   0.00098   0.76780
   A155       2.80881   0.00002   0.00098  -0.00129  -0.00024   2.80857
   A156       2.42665   0.00002   0.00106  -0.00105   0.00003   2.42668
   A157       2.16079   0.00002   0.00192  -0.00137   0.00055   2.16134
   A158       1.86813   0.00004   0.00155  -0.00108   0.00049   1.86862
   A159       2.14492   0.00003  -0.00054   0.00000  -0.00055   2.14438
   A160       1.21522  -0.00004  -0.00102  -0.00320  -0.00422   1.21101
   A161       1.53552  -0.00003  -0.00182  -0.00125  -0.00306   1.53245
   A162       1.93248   0.00000  -0.00128  -0.00180  -0.00306   1.92943
   A163       2.19096  -0.00001  -0.00144  -0.00225  -0.00367   2.18729
   A164       1.51210   0.00000  -0.00325   0.00172  -0.00153   1.51058
   A165       1.65649   0.00000  -0.00228  -0.00165  -0.00393   1.65256
   A166       2.16296   0.00000   0.00256  -0.00230   0.00026   2.16321
   A167       1.86361   0.00000   0.00188  -0.00173   0.00015   1.86376
   A168       1.47945   0.00000   0.00198  -0.00178   0.00019   1.47964
   A169       1.19950   0.00003   0.00187  -0.00174   0.00014   1.19964
   A170       1.86888   0.00001   0.00049  -0.00076  -0.00027   1.86861
   A171       1.97961  -0.00003  -0.00119  -0.00247  -0.00363   1.97598
   A172       2.28147  -0.00002  -0.00117  -0.00152  -0.00268   2.27879
   A173       2.69668   0.00001  -0.00123  -0.00134  -0.00253   2.69416
   A174       2.12247   0.00000  -0.00142   0.00039  -0.00105   2.12143
   A175       2.10983  -0.00001   0.00021  -0.00354  -0.00334   2.10649
   A176       2.27096   0.00000   0.00312  -0.00301   0.00011   2.27107
   A177       2.05065   0.00001   0.00234  -0.00243  -0.00009   2.05056
   A178       1.64133   0.00001   0.00221  -0.00236  -0.00015   1.64118
   A179       1.38901   0.00003   0.00226  -0.00243  -0.00016   1.38886
   A180       2.13447   0.00001   0.00091  -0.00132  -0.00039   2.13408
   A181       1.91039  -0.00002  -0.00277   0.00019  -0.00253   1.90786
   A182       2.28116  -0.00002  -0.00284   0.00101  -0.00180   2.27937
   A183       2.59780   0.00001  -0.00234   0.00069  -0.00159   2.59621
   A184       2.26219   0.00000  -0.00291   0.00224  -0.00065   2.26154
   A185       2.32853   0.00000  -0.00087  -0.00241  -0.00326   2.32527
   A186       0.69138   0.00000   0.00035  -0.00041  -0.00008   0.69130
   A187       0.98216  -0.00003   0.00053  -0.00055  -0.00005   0.98211
   A188       0.69980   0.00000   0.00035  -0.00060  -0.00026   0.69954
   A189       2.10169   0.00002  -0.00052   0.00293   0.00247   2.10416
   A190       1.72441   0.00002   0.00003   0.00137   0.00140   1.72581
   A191       1.39458  -0.00001  -0.00100   0.00291   0.00188   1.39646
   A192       1.09051   0.00001  -0.00097   0.00293   0.00193   1.09243
   A193       1.61588   0.00001   0.00160  -0.00155   0.00002   1.61590
   A194       1.39954   0.00000   0.00099   0.00114   0.00211   1.40165
   A195       0.66713  -0.00003   0.00006   0.00002   0.00005   0.66717
   A196       2.25108  -0.00001   0.00167  -0.00060   0.00117   2.25225
   A197       1.85403   0.00001   0.00170  -0.00090   0.00078   1.85482
   A198       1.63384  -0.00001  -0.00001   0.00162   0.00158   1.63542
   A199       1.31472   0.00001  -0.00010   0.00135   0.00121   1.31592
   A200       1.60793   0.00001   0.00291  -0.00279   0.00006   1.60799
   A201       1.33753  -0.00001   0.00240  -0.00086   0.00152   1.33905
   A202       0.70996  -0.00001   0.00043  -0.00034   0.00008   0.71004
   A203       2.63755  -0.00003   0.00283  -0.00256   0.00048   2.63802
   A204       2.25139   0.00001   0.00243  -0.00176   0.00065   2.25204
   A205       2.04406  -0.00001   0.00009   0.00168   0.00173   2.04579
   A206       1.72529   0.00001   0.00005   0.00142   0.00142   1.72671
   A207       1.94848   0.00001   0.00364  -0.00344   0.00014   1.94862
   A208       1.66368  -0.00001   0.00327  -0.00222   0.00102   1.66470
   A209       0.83577  -0.00002  -0.00056   0.00047  -0.00012   0.83565
   A210       2.68148  -0.00006   0.00334  -0.00547  -0.00197   2.67951
   A211       2.38311  -0.00001   0.00245  -0.00273  -0.00031   2.38280
   A212       2.28868  -0.00004   0.00017   0.00130   0.00141   2.29009
   A213       1.97231  -0.00002  -0.00001   0.00103   0.00094   1.97325
   A214       2.00758   0.00000   0.00279  -0.00290  -0.00019   2.00739
   A215       1.72847  -0.00002   0.00259  -0.00256  -0.00001   1.72846
   A216       1.93034  -0.00003   0.00290  -0.00289   0.00009   1.93044
   A217       1.56166   0.00001   0.00268  -0.00246   0.00021   1.56187
   A218       1.48717  -0.00001   0.00114  -0.00004   0.00109   1.48826
   A219       1.19545   0.00001   0.00093  -0.00070   0.00019   1.19564
   A220       1.23890   0.00002   0.00316  -0.00305   0.00007   1.23897
   A221       0.95511   0.00000   0.00272  -0.00164   0.00106   0.95617
   A222       0.72048   0.00004   0.00006   0.00102   0.00104   0.72152
   A223       1.01193   0.00001   0.00043   0.00017   0.00059   1.01252
   A224       0.69837  -0.00005   0.00017  -0.00060  -0.00046   0.69791
   A225       0.98399  -0.00003   0.00041  -0.00144  -0.00104   0.98295
   A226       0.65656   0.00002   0.00053  -0.00108  -0.00057   0.65599
   A227       0.66447   0.00001   0.00014  -0.00044  -0.00035   0.66413
   A228       0.70684  -0.00001   0.00027  -0.00108  -0.00084   0.70600
   A229       0.84786   0.00000  -0.00077   0.00211   0.00130   0.84917
   A230       0.76061   0.00000   0.00107  -0.00338  -0.00237   0.75824
   A231       0.77719   0.00001  -0.00030   0.00062   0.00025   0.77744
   A232       1.58940   0.00005   0.00006  -0.00083  -0.00078   1.58861
   A233       1.85734   0.00017  -0.00205   0.00268   0.00063   1.85796
   A234       2.19015   0.00007   0.00054  -0.00100  -0.00044   2.18971
   A235       2.12874  -0.00003  -0.00011   0.00049   0.00035   2.12909
   A236       1.96379  -0.00003  -0.00043   0.00055   0.00015   1.96394
   A237       2.12369   0.00007  -0.00017   0.00091   0.00073   2.12442
   A238       2.12744  -0.00012  -0.00018  -0.00031  -0.00052   2.12691
   A239       2.03127   0.00005   0.00032  -0.00057  -0.00025   2.03103
   A240       1.84330  -0.00004  -0.01217   0.00835  -0.00382   1.83947
   A241       2.53057   0.00008   0.01289  -0.00918   0.00371   2.53428
   A242       1.91451  -0.00002  -0.00023   0.00040   0.00022   1.91473
   A243       1.91909  -0.00011  -0.00268   0.00282   0.00014   1.91923
   A244       1.91262   0.00009   0.00236  -0.00216   0.00009   1.91271
   A245       1.91004   0.00004  -0.00047   0.00042  -0.00005   1.90999
   A246       1.90860  -0.00004  -0.00064   0.00078   0.00015   1.90875
   A247       1.89886   0.00005   0.00167  -0.00228  -0.00056   1.89830
   A248       1.28005  -0.00003  -0.00280   0.00569   0.00288   1.28294
   A249       1.90293   0.00005  -0.00035   0.00004  -0.00031   1.90262
   A250       1.90917   0.00005  -0.00026   0.00016  -0.00010   1.90907
   A251       1.92822  -0.00002   0.00023  -0.00006   0.00016   1.92837
   A252       1.91188  -0.00005   0.00037  -0.00018   0.00019   1.91207
   A253       1.89845  -0.00001   0.00004  -0.00016  -0.00012   1.89833
   A254       1.91307  -0.00002  -0.00002   0.00020   0.00018   1.91325
   A255       1.72111   0.00001   0.00126   0.00000   0.00126   1.72237
   A256       1.76493   0.00002  -0.00118  -0.00009  -0.00127   1.76366
   A257       2.19102   0.00000  -0.00001   0.00011   0.00010   2.19112
   A258       2.13008  -0.00001  -0.00016   0.00006  -0.00009   2.12999
   A259       1.96187   0.00001   0.00016  -0.00016   0.00000   1.96187
   A260       2.12465   0.00000   0.00014  -0.00015   0.00000   2.12465
   A261       2.12270   0.00001   0.00004  -0.00021  -0.00017   2.12252
   A262       2.03549  -0.00002  -0.00016   0.00036   0.00019   2.03567
   A263       1.34582   0.00003   0.00055   0.00202   0.00256   1.34838
   A264       1.90031  -0.00001  -0.00016   0.00037   0.00021   1.90053
   A265       1.93150   0.00002   0.00007  -0.00011  -0.00003   1.93147
   A266       1.90986   0.00000   0.00002  -0.00011  -0.00010   1.90975
   A267       1.89733   0.00001  -0.00004  -0.00003  -0.00007   1.89726
   A268       1.91295   0.00001   0.00008  -0.00001   0.00008   1.91303
   A269       1.91175  -0.00003   0.00002  -0.00011  -0.00009   1.91167
   A270       2.66447   0.00001   0.00132  -0.00188  -0.00056   2.66391
   A271       1.69898  -0.00001  -0.00141   0.00201   0.00061   1.69959
   A272       1.92443   0.00001   0.00040  -0.00056  -0.00016   1.92427
   A273       1.91337   0.00000   0.00002   0.00025   0.00032   1.91368
   A274       1.91350  -0.00001  -0.00022   0.00029   0.00006   1.91356
   A275       1.89418   0.00001  -0.00010   0.00024   0.00012   1.89430
   A276       1.91083   0.00000  -0.00003  -0.00007  -0.00010   1.91072
   A277       1.90734  -0.00001  -0.00006  -0.00014  -0.00023   1.90711
   A278       1.80501  -0.00005   0.00038   0.00182   0.00220   1.80721
   A279       1.75439   0.00000  -0.00056  -0.00030  -0.00086   1.75353
   A280       2.19054  -0.00004   0.00019  -0.00074  -0.00054   2.18999
   A281       2.13000   0.00003  -0.00024   0.00099   0.00076   2.13075
   A282       1.96258   0.00001   0.00003  -0.00023  -0.00020   1.96238
   A283       2.12252   0.00000   0.00036  -0.00030   0.00006   2.12258
   A284       2.11557   0.00001   0.00007  -0.00025  -0.00018   2.11538
   A285       2.04209   0.00000  -0.00039   0.00043   0.00003   2.04212
   A286       2.69066  -0.00001   0.00404  -0.00255   0.00148   2.69214
   A287       1.66915   0.00000  -0.00373   0.00255  -0.00118   1.66797
   A288       1.92636  -0.00001  -0.00068   0.00050  -0.00018   1.92618
   A289       1.91620   0.00001  -0.00001   0.00024   0.00019   1.91638
   A290       1.91203   0.00000  -0.00002   0.00004   0.00002   1.91206
   A291       1.89060  -0.00001   0.00035   0.00003   0.00041   1.89101
   A292       1.91206   0.00001   0.00004  -0.00030  -0.00025   1.91181
   A293       1.90636   0.00001   0.00033  -0.00052  -0.00018   1.90618
   A294       1.35775   0.00001  -0.00516   0.00536   0.00020   1.35795
   A295       1.14957  -0.00002   0.00352  -0.00360  -0.00008   1.14949
   A296       1.93221  -0.00002   0.00014  -0.00016  -0.00002   1.93219
   A297       1.90655   0.00001  -0.00021   0.00049   0.00027   1.90682
   A298       1.90275  -0.00001  -0.00022   0.00010  -0.00013   1.90262
   A299       1.90958   0.00001  -0.00003  -0.00004  -0.00007   1.90952
   A300       1.89772   0.00001   0.00056  -0.00059  -0.00002   1.89769
   A301       1.91497   0.00000  -0.00025   0.00020  -0.00004   1.91493
   A302       1.68802  -0.00022  -0.00203  -0.00938  -0.01144   1.67658
   A303       1.78441   0.00001   0.00048   0.00796   0.00847   1.79287
   A304       2.19123  -0.00016  -0.00165   0.00112  -0.00064   2.19059
   A305       2.13008   0.00005   0.00041  -0.00079  -0.00033   2.12976
   A306       1.96160   0.00011   0.00120  -0.00031   0.00094   1.96254
   A307       2.12332   0.00015   0.00062   0.00027   0.00097   2.12430
   A308       2.12394  -0.00008  -0.00083   0.00083  -0.00004   2.12390
   A309       2.03439  -0.00007  -0.00004  -0.00103  -0.00103   2.03336
   A310       1.30589   0.00003   0.00349  -0.01116  -0.00775   1.29814
   A311       3.05225  -0.00003  -0.00309   0.01186   0.00877   3.06102
   A312       1.90944  -0.00001   0.00005  -0.00018  -0.00009   1.90935
   A313       1.92788   0.00002  -0.00164   0.00053  -0.00069   1.92718
   A314       1.90121   0.00007   0.00137  -0.00234  -0.00092   1.90029
   A315       1.91205  -0.00001  -0.00008   0.00023  -0.00005   1.91199
   A316       1.91226   0.00001   0.00020   0.00066   0.00077   1.91303
   A317       1.90090  -0.00008   0.00011   0.00109   0.00099   1.90189
   A318       1.75622   0.00002  -0.00658   0.01848   0.01190   1.76812
   A319       1.91548  -0.00002  -0.00038   0.00077   0.00037   1.91584
   A320       1.91407   0.00007   0.00004   0.00084   0.00090   1.91497
   A321       1.92258  -0.00005   0.00017  -0.00109  -0.00093   1.92165
   A322       1.90591  -0.00003  -0.00128   0.00214   0.00087   1.90678
   A323       1.91055   0.00002   0.00089  -0.00149  -0.00060   1.90995
   A324       1.89504   0.00001   0.00056  -0.00117  -0.00061   1.89443
   A325       2.93950   0.00004   0.00057   0.00014   0.00071   2.94020
   A326       3.35432  -0.00001  -0.00094   0.00332   0.00239   3.35671
   A327       3.07334  -0.00002  -0.00109   0.00349   0.00239   3.07573
   A328       3.19312  -0.00005  -0.00282   0.00589   0.00306   3.19618
   A329       3.25757   0.00001   0.00056   0.00191   0.00248   3.26005
   A330       3.26733   0.00001  -0.00519   0.00532   0.00014   3.26746
   A331       3.66677   0.00003  -0.00570   0.01699   0.01130   3.67807
   A332       3.21908  -0.00001  -0.00404   0.00359  -0.00046   3.21862
   A333       2.98971  -0.00001  -0.00190  -0.00050  -0.00237   2.98734
   A334       2.92359  -0.00001  -0.00193  -0.00047  -0.00237   2.92122
   A335       3.22592   0.00001  -0.00003   0.00172   0.00169   3.22761
   A336       3.08033  -0.00001   0.00042  -0.00076  -0.00034   3.07999
   A337       3.10227   0.00000   0.00188  -0.00194  -0.00006   3.10221
   A338       3.03982   0.00008  -0.00030   0.00155   0.00123   3.04105
    D1        2.75789   0.00000  -0.00028  -0.00072  -0.00100   2.75689
    D2       -1.36310   0.00002  -0.00087   0.00009  -0.00078  -1.36388
    D3        2.78572  -0.00002  -0.00463   0.00196  -0.00269   2.78303
    D4       -1.33527   0.00000  -0.00523   0.00277  -0.00247  -1.33774
    D5        1.66225  -0.00001   0.00043  -0.00089  -0.00047   1.66178
    D6       -2.45874   0.00001  -0.00017  -0.00008  -0.00025  -2.45899
    D7        1.84470  -0.00003   0.00120  -0.00242  -0.00122   1.84348
    D8       -2.27629  -0.00001   0.00061  -0.00161  -0.00100  -2.27729
    D9        0.32498   0.00000  -0.00085  -0.00085  -0.00171   0.32327
   D10        2.48718   0.00002  -0.00144  -0.00004  -0.00149   2.48569
   D11        0.03658  -0.00001  -0.00056  -0.00166  -0.00222   0.03436
   D12        2.19877   0.00001  -0.00115  -0.00085  -0.00199   2.19678
   D13       -0.43336  -0.00001  -0.00059  -0.00164  -0.00223  -0.43559
   D14        1.72884   0.00001  -0.00118  -0.00083  -0.00201   1.72683
   D15       -0.55443  -0.00002   0.00002  -0.00308  -0.00306  -0.55749
   D16        1.60777   0.00000  -0.00057  -0.00227  -0.00284   1.60492
   D17        0.21383  -0.00001   0.00016  -0.00268  -0.00252   0.21130
   D18        2.37602   0.00001  -0.00043  -0.00187  -0.00230   2.37372
   D19        0.14771  -0.00002   0.00014  -0.00265  -0.00252   0.14519
   D20        2.30990   0.00000  -0.00046  -0.00184  -0.00230   2.30760
   D21        2.40435  -0.00002   0.00335  -0.00570  -0.00236   2.40199
   D22       -1.71664   0.00000   0.00276  -0.00489  -0.00214  -1.71878
   D23        2.15883  -0.00002   0.00350  -0.00615  -0.00266   2.15618
   D24       -1.96216   0.00000   0.00290  -0.00534  -0.00244  -1.96459
   D25        1.71858  -0.00002   0.00300  -0.00542  -0.00242   1.71616
   D26       -2.40241   0.00000   0.00240  -0.00461  -0.00220  -2.40461
   D27        1.41199   0.00001   0.00287  -0.00516  -0.00227   1.40972
   D28       -2.70900   0.00003   0.00227  -0.00436  -0.00205  -2.71105
   D29        2.36453  -0.00003   0.00423  -0.00790  -0.00368   2.36085
   D30       -1.75646  -0.00001   0.00363  -0.00710  -0.00346  -1.75992
   D31       -1.76803   0.00002   0.00177  -0.00099   0.00079  -1.76724
   D32        0.39417   0.00003   0.00117  -0.00018   0.00101   0.39518
   D33       -2.11417   0.00001   0.00238  -0.00284  -0.00046  -2.11463
   D34        0.04802   0.00003   0.00179  -0.00203  -0.00023   0.04779
   D35       -2.48828  -0.00002   0.00174  -0.00190  -0.00020  -2.48848
   D36       -0.32609   0.00000   0.00115  -0.00109   0.00002  -0.32606
   D37       -2.77588  -0.00001   0.00206  -0.00218  -0.00015  -2.77603
   D38       -0.61369   0.00001   0.00147  -0.00137   0.00007  -0.61362
   D39       -2.13712   0.00000   0.00422  -0.00642  -0.00219  -2.13931
   D40        0.02507   0.00002   0.00362  -0.00561  -0.00196   0.02311
   D41       -2.38729  -0.00001   0.00482  -0.00429   0.00056  -2.38674
   D42       -0.22510   0.00001   0.00423  -0.00348   0.00078  -0.22432
   D43        1.25646   0.00001   0.00576  -0.00328   0.00248   1.25894
   D44       -1.93462   0.00000   0.00846  -0.00471   0.00374  -1.93087
   D45        2.45104  -0.00001   0.00677  -0.00433   0.00242   2.45346
   D46       -0.74004  -0.00002   0.00947  -0.00576   0.00368  -0.73635
   D47        2.93742  -0.00002   0.00738  -0.00536   0.00201   2.93943
   D48       -0.25366  -0.00003   0.01007  -0.00679   0.00328  -0.25038
   D49        2.86165  -0.00002   0.00792  -0.00625   0.00164   2.86329
   D50       -0.32943  -0.00003   0.01061  -0.00768   0.00291  -0.32652
   D51        2.04901  -0.00002   0.00621  -0.00544   0.00074   2.04975
   D52       -1.14207  -0.00003   0.00891  -0.00686   0.00201  -1.14006
   D53        1.15773   0.00000   0.00508  -0.00520  -0.00005   1.15767
   D54       -2.03335   0.00000   0.00777  -0.00663   0.00121  -2.03214
   D55        1.01529   0.00000   0.00618  -0.00684  -0.00063   1.01466
   D56       -2.17579  -0.00001   0.00888  -0.00827   0.00064  -2.17515
   D57        2.01823  -0.00002   0.00688  -0.00613   0.00073   2.01896
   D58       -1.17284  -0.00003   0.00958  -0.00756   0.00200  -1.17085
   D59        1.82340  -0.00002   0.00663  -0.00570   0.00092   1.82433
   D60       -1.36767  -0.00002   0.00933  -0.00712   0.00219  -1.36548
   D61       -2.28010   0.00000   0.00990  -0.00898   0.00091  -2.27919
   D62        0.81201  -0.00001   0.01259  -0.01041   0.00218   0.81418
   D63       -2.41789   0.00000   0.00917  -0.00843   0.00074  -2.41715
   D64        0.67422  -0.00001   0.01187  -0.00986   0.00200   0.67622
   D65       -2.82065   0.00000   0.00877  -0.00820   0.00058  -2.82007
   D66        0.27146  -0.00001   0.01147  -0.00963   0.00185   0.27331
   D67       -3.00015   0.00001   0.00931  -0.00861   0.00072  -2.99943
   D68        0.09196   0.00001   0.01201  -0.01004   0.00199   0.09395
   D69       -2.14402  -0.00001   0.00883  -0.00826   0.00056  -2.14347
   D70        0.94809  -0.00002   0.01152  -0.00969   0.00182   0.94991
   D71       -0.17378  -0.00001   0.01107  -0.00943   0.00170  -0.17207
   D72        2.91833  -0.00002   0.01376  -0.01086   0.00297   2.92130
   D73       -0.56906   0.00001   0.01110  -0.00983   0.00127  -0.56779
   D74        2.52305   0.00000   0.01379  -0.01126   0.00253   2.52559
   D75       -0.73853  -0.00002   0.00941  -0.00712   0.00228  -0.73625
   D76        2.35358  -0.00003   0.01211  -0.00855   0.00354   2.35712
   D77       -1.07690   0.00000   0.00913  -0.00703   0.00206  -1.07484
   D78        2.01522  -0.00001   0.01183  -0.00846   0.00332   2.01854
   D79       -0.85216   0.00002   0.01234  -0.01167   0.00062  -0.85154
   D80        2.23995   0.00001   0.01504  -0.01310   0.00189   2.24184
   D81       -1.15697  -0.00001   0.01205  -0.01048   0.00155  -1.15542
   D82        1.93514  -0.00001   0.01475  -0.01191   0.00282   1.93796
   D83       -1.53597   0.00000  -0.00070   0.00254   0.00186  -1.53411
   D84       -2.61232   0.00000  -0.00006   0.00150   0.00145  -2.61086
   D85       -2.94653  -0.00007  -0.00383   0.00395   0.00012  -2.94641
   D86        0.73505   0.00000   0.00015   0.00082   0.00099   0.73604
   D87        0.31158  -0.00001  -0.00010   0.00080   0.00071   0.31229
   D88       -0.06154  -0.00002  -0.00083   0.00169   0.00085  -0.06069
   D89       -0.39933  -0.00004  -0.00070   0.00086   0.00017  -0.39916
   D90        0.18156  -0.00001   0.00029  -0.00001   0.00029   0.18185
   D91       -0.05629  -0.00001   0.00023   0.00013   0.00036  -0.05594
   D92        2.40462  -0.00001   0.00183  -0.00159   0.00023   2.40485
   D93        2.05456   0.00000   0.00178  -0.00152   0.00026   2.05482
   D94        1.66181   0.00000   0.00183  -0.00189  -0.00003   1.66178
   D95        1.37299   0.00003   0.00194  -0.00199  -0.00001   1.37299
   D96        2.05453   0.00000   0.00127  -0.00101   0.00027   2.05480
   D97       -1.91705   0.00003   0.00301  -0.00054   0.00242  -1.91463
   D98       -2.44684   0.00003   0.00537  -0.00523   0.00017  -2.44668
   D99       -2.66063  -0.00001   0.00269  -0.00142   0.00126  -2.65937
   D100      -2.98717   0.00001   0.00249  -0.00197   0.00049  -2.98668
   D101      -2.91250   0.00006   0.01064  -0.01234  -0.00176  -2.91426
   D102       2.84424   0.00000   0.00905  -0.01084  -0.00182   2.84242
   D103      -2.90860  -0.00001   0.00196  -0.00302  -0.00107  -2.90966
   D104       1.18913  -0.00001   0.00207  -0.00306  -0.00099   1.18814
   D105       2.80317   0.00000   0.00069  -0.00181  -0.00111   2.80206
   D106       0.61771   0.00000   0.00080  -0.00185  -0.00103   0.61668
   D107       2.30366   0.00003  -0.00004  -0.00077  -0.00080   2.30286
   D108       0.11820   0.00003   0.00007  -0.00081  -0.00072   0.11748
   D109       1.74564  -0.00006   0.00189  -0.00205  -0.00021   1.74543
   D110      -0.43982  -0.00006   0.00200  -0.00208  -0.00013  -0.43995
   D111       2.58573   0.00002   0.00076  -0.00215  -0.00138   2.58435
   D112       0.40028   0.00002   0.00087  -0.00219  -0.00131   0.39897
   D113       2.24917   0.00003   0.00036  -0.00144  -0.00107   2.24810
   D114       0.06371   0.00003   0.00047  -0.00147  -0.00100   0.06271
   D115      -1.61157   0.00000   0.00034  -0.00005   0.00030  -1.61127
   D116       2.48616   0.00000   0.00045  -0.00008   0.00037   2.48654
   D117      -1.77414  -0.00001   0.00044   0.00065   0.00108  -1.77305
   D118       2.32359  -0.00001   0.00055   0.00061   0.00116   2.32475
   D119      -2.73515   0.00001   0.00032  -0.00012   0.00020  -2.73495
   D120       1.36258   0.00001   0.00043  -0.00016   0.00028   1.36286
   D121      -2.69922   0.00001   0.00083  -0.00094  -0.00012  -2.69934
   D122       1.39851   0.00001   0.00094  -0.00097  -0.00004   1.39846
   D123       1.32339   0.00000  -0.00197   0.00170  -0.00028   1.32311
   D124      -0.86206   0.00000  -0.00186   0.00166  -0.00020  -0.86227
   D125       1.29424   0.00000  -0.00097   0.00119   0.00021   1.29445
   D126      -0.89121   0.00000  -0.00086   0.00115   0.00028  -0.89093
   D127       1.65023   0.00000  -0.00042   0.00096   0.00053   1.65076
   D128      -0.53522   0.00000  -0.00031   0.00093   0.00061  -0.53462
   D129       1.77838  -0.00001  -0.00128   0.00182   0.00052   1.77890
   D130      -0.40708  -0.00001  -0.00117   0.00178   0.00060  -0.40648
   D131       0.89453   0.00001  -0.00073   0.00115   0.00042   0.89495
   D132      -1.29093   0.00001  -0.00062   0.00112   0.00049  -1.29044
   D133      -0.95053   0.00002  -0.00355   0.00296  -0.00063  -0.95116
   D134      -3.13598   0.00002  -0.00344   0.00292  -0.00055  -3.13654
   D135      -0.52372  -0.00001  -0.00329   0.00246  -0.00083  -0.52454
   D136      -2.70917  -0.00001  -0.00318   0.00242  -0.00075  -2.70992
   D137      -0.22596   0.00003  -0.00206  -0.00039  -0.00245  -0.22841
   D138      -2.41142   0.00003  -0.00195  -0.00043  -0.00237  -2.41379
   D139       0.18150   0.00000  -0.00178  -0.00119  -0.00292   0.17858
   D140      -2.00395   0.00000  -0.00167  -0.00122  -0.00285  -2.00680
   D141      -0.30645  -0.00001  -0.00388   0.00382  -0.00003  -0.30647
   D142      -2.49190  -0.00001  -0.00377   0.00379   0.00005  -2.49185
   D143      -0.05171   0.00000  -0.00316   0.00143  -0.00171  -0.05342
   D144      -2.23717   0.00001  -0.00305   0.00140  -0.00163  -2.23880
   D145      -2.47487  -0.00002   0.00243  -0.00458  -0.00217  -2.47704
   D146      -2.72667   0.00002   0.00251  -0.00412  -0.00162  -2.72829
   D147      -2.40711  -0.00001   0.00289  -0.00322  -0.00042  -2.40753
   D148       3.00103   0.00002   0.00213  -0.00420  -0.00205   2.99898
   D149       2.61785   0.00002   0.00201  -0.00447  -0.00241   2.61544
   D150       1.51943  -0.00001   0.00003  -0.00130  -0.00128   1.51815
   D151       2.62036   0.00001   0.00031  -0.00144  -0.00113   2.61922
   D152       2.99406   0.00001   0.00074  -0.00213  -0.00139   2.99268
   D153       1.18088   0.00000  -0.00409   0.00200  -0.00211   1.17877
   D154       1.24538  -0.00001  -0.00174   0.00036  -0.00139   1.24399
   D155       1.63766  -0.00001  -0.00058  -0.00043  -0.00101   1.63665
   D156       1.71688  -0.00002  -0.00106   0.00003  -0.00104   1.71584
   D157       0.89674   0.00000  -0.00095  -0.00008  -0.00104   0.89570
   D158      -0.99265   0.00004  -0.00422   0.00390  -0.00032  -0.99296
   D159      -0.66874   0.00000  -0.00358   0.00304  -0.00050  -0.66924
   D160      -0.70697   0.00001  -0.00185   0.00043  -0.00141  -0.70838
   D161      -0.39673  -0.00001  -0.00170   0.00087  -0.00082  -0.39754
   D162      -0.28813  -0.00002  -0.00371   0.00283  -0.00083  -0.28896
   D163      -0.00884   0.00001  -0.00351   0.00262  -0.00088  -0.00971
   D164      -1.28725  -0.00001   0.00230  -0.00244  -0.00015  -1.28741
   D165       1.66211  -0.00001   0.00083  -0.00145  -0.00064   1.66147
   D166      -1.65892   0.00001   0.00209  -0.00198   0.00011  -1.65881
   D167       1.29044   0.00001   0.00063  -0.00099  -0.00037   1.29007
   D168      -1.73837   0.00002   0.00205  -0.00127   0.00077  -1.73761
   D169       1.21099   0.00002   0.00058  -0.00029   0.00028   1.21127
   D170      -1.99356  -0.00005  -0.00225   0.00198  -0.00029  -1.99385
   D171       0.95580  -0.00005  -0.00372   0.00296  -0.00077   0.95503
   D172      -2.00840   0.00002   0.00235  -0.00243  -0.00008  -2.00848
   D173       0.94096   0.00002   0.00088  -0.00145  -0.00057   0.94039
   D174      -2.31075   0.00002   0.00243  -0.00232   0.00012  -2.31063
   D175       0.63861   0.00001   0.00096  -0.00133  -0.00037   0.63825
   D176       1.97880   0.00000   0.00088  -0.00012   0.00076   1.97956
   D177      -1.35503   0.00000  -0.00058   0.00086   0.00028  -1.35475
   D178       0.83260   0.00001   0.00121  -0.00019   0.00101   0.83361
   D179      -2.50122   0.00001  -0.00026   0.00079   0.00052  -2.50070
   D180       0.36801  -0.00003   0.00123   0.00032   0.00155   0.36955
   D181      -2.96582  -0.00003  -0.00024   0.00131   0.00106  -2.96476
   D182      -3.10948   0.00000  -0.00011   0.00041   0.00031  -3.10918
   D183      -0.16012   0.00000  -0.00157   0.00139  -0.00018  -0.16030
   D184       2.90878   0.00000   0.00049   0.00037   0.00086   2.90963
   D185      -0.42505  -0.00001  -0.00098   0.00135   0.00037  -0.42468
   D186       3.06372  -0.00001   0.00148  -0.00020   0.00128   3.06500
   D187      -0.27011  -0.00001   0.00001   0.00078   0.00079  -0.26931
   D188       2.97341   0.00000   0.00075   0.00046   0.00122   2.97463
   D189      -0.36042   0.00000  -0.00072   0.00145   0.00074  -0.35968
   D190       2.46284   0.00000  -0.00006   0.00095   0.00089   2.46373
   D191      -0.87098   0.00000  -0.00153   0.00194   0.00040  -0.87058
   D192       0.32844   0.00005  -0.00349   0.00671   0.00326   0.33170
   D193      -3.00539   0.00005  -0.00496   0.00769   0.00278  -3.00261
   D194       0.63747  -0.00001  -0.00377   0.00601   0.00230   0.63977
   D195      -2.69635  -0.00001  -0.00523   0.00699   0.00181  -2.69454
   D196       0.43495   0.00001  -0.00256   0.00478   0.00209   0.43703
   D197      -2.89888   0.00001  -0.00403   0.00576   0.00160  -2.89728
   D198       1.10481  -0.00002  -0.00383   0.00493   0.00115   1.10596
   D199      -2.22902  -0.00002  -0.00530   0.00591   0.00066  -2.22835
   D200       1.43916   0.00000  -0.00347   0.00323  -0.00022   1.43893
   D201      -1.89467   0.00000  -0.00494   0.00421  -0.00071  -1.89537
   D202       1.61301   0.00003  -0.00078   0.00391   0.00312   1.61613
   D203      -0.60007   0.00002  -0.00043   0.00220   0.00176  -0.59831
   D204       1.68547   0.00000   0.00051   0.00192   0.00243   1.68790
   D205      -0.52761  -0.00001   0.00086   0.00021   0.00106  -0.52654
   D206       1.36514   0.00003   0.00191   0.00030   0.00221   1.36735
   D207      -0.84794   0.00002   0.00227  -0.00142   0.00084  -0.84710
   D208       1.19749   0.00001   0.00706  -0.00376   0.00327   1.20076
   D209      -1.01559   0.00000   0.00741  -0.00548   0.00191  -1.01368
   D210       2.11687   0.00000   0.00056   0.00150   0.00205   2.11892
   D211      -0.09620  -0.00001   0.00091  -0.00022   0.00068  -0.09552
   D212       2.23370   0.00002   0.00051   0.00163   0.00212   2.23582
   D213       0.02062   0.00001   0.00086  -0.00009   0.00076   0.02138
   D214      -2.22815   0.00002   0.00254   0.00019   0.00274  -2.22541
   D215       1.84196   0.00001   0.00289  -0.00152   0.00138   1.84334
   D216      -2.39352   0.00002   0.00343  -0.00042   0.00301  -2.39050
   D217       1.67659   0.00001   0.00378  -0.00213   0.00165   1.67824
   D218      -2.00266   0.00002   0.00525  -0.00203   0.00326  -1.99940
   D219       2.06745   0.00001   0.00560  -0.00375   0.00189   2.06934
   D220      -2.11409   0.00000   0.00915  -0.00296   0.00620  -2.10789
   D221       1.95602  -0.00001   0.00950  -0.00467   0.00483   1.96085
   D222      -2.88770   0.00001   0.00250   0.00036   0.00285  -2.88485
   D223       1.18241   0.00000   0.00285  -0.00136   0.00148   1.18389
   D224       3.05929   0.00000   0.00183   0.00092   0.00272   3.06201
   D225       0.84621  -0.00001   0.00218  -0.00079   0.00136   0.84757
   D226      -2.71542   0.00002  -0.00005   0.00138   0.00134  -2.71408
   D227       1.35469   0.00001   0.00030  -0.00033  -0.00003   1.35466
   D228      -2.66289   0.00002   0.00160   0.00023   0.00184  -2.66106
   D229       1.40721   0.00001   0.00195  -0.00149   0.00047   1.40769
   D230      -1.56896   0.00002   0.00015   0.00158   0.00173  -1.56723
   D231       2.50114   0.00000   0.00050  -0.00014   0.00037   2.50151
   D232      -0.06205  -0.00005   0.00587  -0.00730  -0.00132  -0.06337
   D233      -2.27513  -0.00006   0.00622  -0.00902  -0.00268  -2.27781
   D234      -0.19774   0.00000   0.00455  -0.00431   0.00023  -0.19752
   D235      -2.41082  -0.00001   0.00490  -0.00602  -0.00114  -2.41196
   D236       0.08167   0.00001   0.00306  -0.00182   0.00125   0.08293
   D237      -2.13141   0.00000   0.00341  -0.00354  -0.00011  -2.13152
   D238      -0.02118   0.00002   0.00263  -0.00271  -0.00010  -0.02129
   D239      -2.23426   0.00001   0.00298  -0.00443  -0.00147  -2.23573
   D240      -0.59255   0.00003   0.00372  -0.00207   0.00160  -0.59094
   D241      -2.80563   0.00001   0.00407  -0.00378   0.00024  -2.80539
   D242      -0.77999   0.00000   0.00391  -0.00366   0.00025  -0.77975
   D243      -2.99307  -0.00001   0.00426  -0.00537  -0.00112  -2.99419
   D244      -2.92927   0.00001  -0.00486   0.00497   0.00011  -2.92917
   D245      -0.00970   0.00001  -0.00231   0.00258   0.00027  -0.00942
   D246      -3.11827  -0.00001  -0.00385   0.00330  -0.00055  -3.11882
   D247      -0.19869  -0.00001  -0.00130   0.00091  -0.00039  -0.19907
   D248       2.78021   0.00002  -0.00310   0.00270  -0.00039   2.77982
   D249      -0.58339   0.00002  -0.00055   0.00031  -0.00023  -0.58362
   D250       2.54221  -0.00002  -0.00104   0.00108   0.00003   2.54224
   D251      -0.82140  -0.00002   0.00152  -0.00132   0.00019  -0.82121
   D252      -2.88926   0.00001  -0.00305   0.00178  -0.00127  -2.89052
   D253       0.03032   0.00000  -0.00050  -0.00061  -0.00110   0.02922
   D254      -3.06369   0.00003  -0.00283   0.00158  -0.00125  -3.06494
   D255      -0.14411   0.00003  -0.00027  -0.00082  -0.00108  -0.14519
   D256      -0.64916   0.00001  -0.00250   0.00284   0.00034  -0.64881
   D257       2.27042   0.00001   0.00006   0.00044   0.00051   2.27093
   D258      -0.89609   0.00001  -0.00217   0.00245   0.00029  -0.89580
   D259       2.02349   0.00000   0.00039   0.00006   0.00046   2.02395
   D260      -0.73229   0.00001  -0.00200   0.00218   0.00018  -0.73211
   D261       2.18729   0.00000   0.00056  -0.00021   0.00035   2.18764
   D262      -0.93652  -0.00001  -0.00196   0.00277   0.00080  -0.93571
   D263       1.98306  -0.00002   0.00059   0.00038   0.00097   1.98403
   D264      -1.30413   0.00000  -0.00226   0.00248   0.00023  -1.30390
   D265       1.61545  -0.00001   0.00030   0.00008   0.00039   1.61584
   D266      -1.54330  -0.00001  -0.00229   0.00229  -0.00001  -1.54331
   D267       1.37628  -0.00001   0.00027  -0.00011   0.00015   1.37643
   D268       1.98079   0.00001  -0.00462   0.00357  -0.00106   1.97974
   D269      -1.38281   0.00000  -0.00207   0.00118  -0.00089  -1.38371
   D270       0.85991   0.00001  -0.00465   0.00405  -0.00061   0.85930
   D271      -2.50370   0.00001  -0.00209   0.00166  -0.00044  -2.50414
   D272       0.98806  -0.00012   0.00387  -0.01174  -0.00783   0.98023
   D273      -2.37554  -0.00013   0.00643  -0.01413  -0.00766  -2.38321
   D274       1.14348  -0.00003   0.00028  -0.00338  -0.00311   1.14036
   D275      -2.22013  -0.00003   0.00283  -0.00577  -0.00295  -2.22308
   D276       1.59795  -0.00001  -0.00108  -0.00058  -0.00164   1.59631
   D277      -1.76566  -0.00001   0.00148  -0.00297  -0.00148  -1.76713
   D278       1.58204   0.00001  -0.00205  -0.00076  -0.00284   1.57920
   D279      -1.78157   0.00000   0.00051  -0.00315  -0.00267  -1.78424
   D280       0.82512   0.00000  -0.00247   0.00169  -0.00081   0.82431
   D281      -2.53849   0.00000   0.00008  -0.00071  -0.00064  -2.53913
   D282       0.80087  -0.00001  -0.00211  -0.00107  -0.00318   0.79769
   D283      -2.56273  -0.00001   0.00045  -0.00347  -0.00302  -2.56575
   D284       1.58312   0.00002   0.00122   0.00116   0.00237   1.58549
   D285      -2.63406   0.00002   0.00245  -0.00021   0.00224  -2.63182
   D286       1.64477  -0.00001   0.00304  -0.00204   0.00100   1.64577
   D287      -2.57241  -0.00001   0.00428  -0.00340   0.00087  -2.57154
   D288       1.33385   0.00001   0.00415  -0.00340   0.00075   1.33460
   D289      -2.88333   0.00001   0.00538  -0.00476   0.00062  -2.88271
   D290       1.24191   0.00001   0.00827  -0.00671   0.00157   1.24347
   D291      -2.97527   0.00001   0.00951  -0.00807   0.00143  -2.97384
   D292       2.04080   0.00000   0.00361  -0.00341   0.00020   2.04100
   D293      -2.17637   0.00000   0.00484  -0.00477   0.00007  -2.17631
   D294       2.02165   0.00002   0.00353  -0.00322   0.00031   2.02196
   D295      -2.19553   0.00002   0.00476  -0.00458   0.00017  -2.19535
   D296      -2.29824   0.00000   0.00539  -0.00411   0.00129  -2.29696
   D297      -0.23224   0.00001   0.00662  -0.00547   0.00115  -0.23108
   D298      -2.27243   0.00000   0.00584  -0.00458   0.00126  -2.27116
   D299      -0.20642   0.00001   0.00707  -0.00594   0.00113  -0.20529
   D300      -1.88404   0.00000   0.00589  -0.00478   0.00113  -1.88292
   D301       0.18196   0.00001   0.00713  -0.00615   0.00099   0.18296
   D302      -1.82265   0.00001   0.00633  -0.00458   0.00177  -1.82088
   D303       0.24336   0.00001   0.00756  -0.00595   0.00163   0.24499
   D304      -2.61789   0.00000   0.00596  -0.00480   0.00116  -2.61673
   D305      -0.55188   0.00000   0.00719  -0.00617   0.00103  -0.55085
   D306      -2.74273  -0.00001   0.00659  -0.00571   0.00086  -2.74188
   D307      -0.67673   0.00000   0.00782  -0.00707   0.00072  -0.67600
   D308       1.52207   0.00000   0.00259  -0.00228   0.00032   1.52239
   D309      -2.69511   0.00001   0.00382  -0.00364   0.00019  -2.69492
   D310       2.62260   0.00001   0.00262  -0.00231   0.00031   2.62291
   D311      -1.59458   0.00001   0.00385  -0.00367   0.00018  -1.59440
   D312       3.00435  -0.00002   0.00386  -0.00327   0.00057   3.00492
   D313      -1.21283  -0.00002   0.00509  -0.00463   0.00043  -1.21239
   D314      -0.45301  -0.00005   0.00670  -0.01017  -0.00345  -0.45645
   D315       1.61300  -0.00005   0.00794  -0.01153  -0.00358   1.60942
   D316      -0.29979  -0.00002   0.00594  -0.00766  -0.00173  -0.30151
   D317       1.76622  -0.00002   0.00717  -0.00902  -0.00186   1.76436
   D318       0.12574   0.00000   0.00547  -0.00678  -0.00128   0.12446
   D319       2.19174   0.00000   0.00670  -0.00814  -0.00141   2.19033
   D320       0.25918   0.00000   0.00517  -0.00763  -0.00247   0.25671
   D321       2.32519   0.00000   0.00640  -0.00900  -0.00261   2.32258
   D322      -0.55320   0.00000   0.00485  -0.00471   0.00011  -0.55309
   D323       1.51281   0.00001   0.00608  -0.00607  -0.00002   1.51279
   D324      -0.59102  -0.00001   0.00588  -0.00866  -0.00277  -0.59379
   D325       1.47499  -0.00001   0.00711  -0.01002  -0.00290   1.47209
   D326       0.07740   0.00000  -0.00202   0.00782   0.00587   0.08327
   D327       2.25740  -0.00002  -0.00212   0.00607   0.00401   2.26141
   D328       0.38506   0.00001  -0.00290   0.00870   0.00585   0.39091
   D329       2.56507  -0.00001  -0.00301   0.00695   0.00398   2.56905
   D330       0.75033  -0.00002  -0.00325   0.00917   0.00593   0.75626
   D331       2.93034  -0.00003  -0.00335   0.00742   0.00407   2.93440
   D332       1.02919   0.00004  -0.00325   0.00930   0.00606   1.03525
   D333      -3.07399   0.00003  -0.00335   0.00755   0.00420  -3.06980
   D334       0.32737  -0.00003  -0.00440   0.00974   0.00544   0.33281
   D335       2.50737  -0.00004  -0.00450   0.00799   0.00358   2.51095
   D336       0.71843  -0.00003  -0.00697   0.01309   0.00612   0.72455
   D337       2.89844  -0.00004  -0.00708   0.01134   0.00425   2.90269
   D338      -2.33839  -0.00002  -0.00176   0.00757   0.00584  -2.33255
   D339      -0.15839  -0.00003  -0.00186   0.00581   0.00397  -0.15441
   D340      -1.95987  -0.00001  -0.00228   0.00767   0.00536  -1.95451
   D341       0.22014  -0.00002  -0.00239   0.00592   0.00349   0.22363
   D342      -1.91402   0.00001  -0.00408   0.00977   0.00566  -1.90836
   D343       0.26599  -0.00001  -0.00419   0.00802   0.00380   0.26978
   D344      -1.61689   0.00005  -0.00466   0.01055   0.00581  -1.61108
   D345       0.56311   0.00003  -0.00476   0.00880   0.00394   0.56706
   D346      -1.58767  -0.00001  -0.00118   0.00589   0.00460  -1.58307
   D347       0.59234  -0.00003  -0.00129   0.00414   0.00274   0.59507
   D348      -1.28644   0.00000  -0.00162   0.00626   0.00453  -1.28191
   D349       0.89356  -0.00002  -0.00173   0.00451   0.00266   0.89623
   D350       1.83872   0.00004  -0.00499   0.01289   0.00782   1.84654
   D351      -2.26445   0.00002  -0.00510   0.01114   0.00595  -2.25850
   D352       2.26879   0.00005  -0.00590   0.01467   0.00872   2.27751
   D353      -1.83439   0.00004  -0.00601   0.01292   0.00685  -1.82754
   D354       2.50650   0.00011  -0.00933   0.02173   0.01237   2.51886
   D355      -1.59668   0.00010  -0.00944   0.01998   0.01050  -1.58618
   D356       3.14103   0.00001  -0.00497   0.01702   0.01234  -3.12981
   D357      -0.96214  -0.00001  -0.00508   0.01527   0.01047  -0.95167
   D358       2.59560   0.00002  -0.00329   0.01065   0.00737   2.60298
   D359      -1.50757   0.00001  -0.00340   0.00890   0.00551  -1.50207
   D360       1.62333  -0.00004  -0.00066   0.00474   0.00412   1.62745
   D361      -2.47985  -0.00006  -0.00076   0.00299   0.00225  -2.47760
   D362       1.79598  -0.00004  -0.00159   0.00802   0.00652   1.80250
   D363      -2.30720  -0.00005  -0.00170   0.00627   0.00465  -2.30255
   D364       2.74322  -0.00006  -0.00034   0.00253   0.00219   2.74541
   D365      -1.35996  -0.00007  -0.00045   0.00078   0.00032  -1.35964
   D366       2.73089  -0.00002  -0.00224   0.00914   0.00690   2.73780
   D367      -1.37229  -0.00003  -0.00235   0.00739   0.00504  -1.36725
   D368       0.05945  -0.00001  -0.00309   0.00232  -0.00079   0.05866
   D369      -2.54286   0.00001  -0.01286   0.01990   0.00701  -2.53585
   D370       0.45918  -0.00001  -0.00308   0.00232  -0.00077   0.45841
   D371      -2.14313   0.00000  -0.01284   0.01990   0.00704  -2.13609
   D372       0.67048  -0.00003  -0.00251   0.00160  -0.00091   0.66957
   D373      -1.93183  -0.00002  -0.01228   0.01917   0.00689  -1.92493
   D374       0.93983   0.00003  -0.00016  -0.00046  -0.00054   0.93929
   D375      -1.66248   0.00004  -0.00993   0.01711   0.00727  -1.65521
   D376       0.70300  -0.00003  -0.00436   0.00353  -0.00082   0.70218
   D377      -1.89931  -0.00001  -0.01413   0.02111   0.00699  -1.89232
   D378       1.04224  -0.00003  -0.00452   0.00359  -0.00091   1.04133
   D379      -1.56006  -0.00001  -0.01428   0.02117   0.00689  -1.55317
   D380      -2.75898  -0.00003  -0.00106   0.00122   0.00018  -2.75880
   D381       0.92190  -0.00002  -0.01083   0.01880   0.00798   0.92988
   D382      -2.20353  -0.00003  -0.00085  -0.00011  -0.00084  -2.20437
   D383       1.47735  -0.00001  -0.01062   0.01747   0.00696   1.48431
   D384      -1.96534  -0.00002  -0.00203   0.00026  -0.00172  -1.96706
   D385       1.71554   0.00000  -0.01179   0.01784   0.00608   1.72162
   D386      -1.63414   0.00001  -0.00233  -0.00012  -0.00244  -1.63658
   D387       2.04673   0.00003  -0.01210   0.01746   0.00536   2.05210
   D388      -1.68369  -0.00002   0.00046  -0.00341  -0.00281  -1.68650
   D389       1.99719   0.00000  -0.00931   0.01417   0.00499   2.00218
   D390      -1.10328   0.00000  -0.00150  -0.00268  -0.00440  -1.10767
   D391       2.57760   0.00002  -0.01126   0.01490   0.00340   2.58101
   D392       1.79463  -0.00001  -0.00208   0.00054  -0.00153   1.79310
   D393      -0.80768   0.00001  -0.01185   0.01811   0.00628  -0.80140
   D394       2.09399  -0.00001  -0.00280   0.00118  -0.00162   2.09238
   D395      -0.50831   0.00001  -0.01256   0.01876   0.00619  -0.50213
   D396       2.03898   0.00000  -0.00412   0.00285  -0.00127   2.03771
   D397      -0.56332   0.00002  -0.01388   0.02043   0.00653  -0.55679
   D398       2.23578  -0.00002  -0.00347   0.00321  -0.00031   2.23547
   D399      -0.36653   0.00000  -0.01324   0.02079   0.00750  -0.35903
   D400       2.49469  -0.00001  -0.00199   0.00017  -0.00183   2.49286
   D401      -0.10762   0.00000  -0.01175   0.01774   0.00598  -0.10164
   D402      -1.53529  -0.00008   0.00173  -0.00613  -0.00440  -1.53969
   D403       2.14559  -0.00006  -0.00804   0.01145   0.00340   2.14899
   D404      -2.63503   0.00002   0.00168  -0.00512  -0.00344  -2.63847
   D405       1.04584   0.00004  -0.00808   0.01246   0.00437   1.05021
   D406      -2.99157   0.00000   0.00025  -0.00072  -0.00049  -2.99206
   D407       0.68931   0.00002  -0.00952   0.01686   0.00731   0.69662
   D408       1.92191  -0.00001  -0.00177   0.00075  -0.00106   1.92085
   D409       2.41828  -0.00001  -0.00375   0.00341  -0.00037   2.41791
   D410       2.64576  -0.00002  -0.00205   0.00092  -0.00114   2.64462
   D411       2.87421   0.00004   0.00153  -0.00209  -0.00054   2.87367
   D412       2.84831  -0.00006  -0.00939   0.01027   0.00092   2.84923
   D413      -2.94618  -0.00003  -0.00670   0.00650  -0.00011  -2.94629
   D414      -0.75174  -0.00001   0.00042  -0.00173  -0.00134  -0.75307
   D415      -0.37126   0.00000   0.00084  -0.00217  -0.00136  -0.37261
   D416      -0.06086   0.00000  -0.00044  -0.00095  -0.00140  -0.06226
   D417       0.24740   0.00003  -0.00011  -0.00127  -0.00140   0.24600
   D418      -0.23746   0.00002   0.00273  -0.00420  -0.00152  -0.23898
   D419       0.07420   0.00003   0.00346  -0.00539  -0.00197   0.07222
   D420      -2.56123   0.00000  -0.00123   0.00000  -0.00121  -2.56245
   D421      -2.17870   0.00000  -0.00111  -0.00034  -0.00145  -2.18015
   D422      -1.93754   0.00001  -0.00154   0.00018  -0.00136  -1.93889
   D423      -1.62437  -0.00002  -0.00053  -0.00064  -0.00121  -1.62558
   D424      -1.96152   0.00000  -0.00003  -0.00146  -0.00150  -1.96302
   D425       1.32621  -0.00007   0.00252  -0.00918  -0.00664   1.31958
   D426       2.48008   0.00004   0.00228  -0.00613  -0.00382   2.47626
   D427       2.95255   0.00001   0.00185  -0.00395  -0.00203   2.95052
   D428      -3.07109  -0.00014  -0.00246   0.00237  -0.00009  -3.07118
   D429       0.02633  -0.00010  -0.00409   0.00303  -0.00105   0.02527
   D430       0.03691   0.00013  -0.00222   0.00395   0.00172   0.03863
   D431       3.13432   0.00017  -0.00386   0.00461   0.00076   3.13508
   D432      -0.10248   0.00009   0.01343  -0.01020   0.00323  -0.09925
   D433       1.99884   0.00005   0.01103  -0.00766   0.00339   2.00223
   D434      -2.19798   0.00009   0.01289  -0.01007   0.00285  -2.19514
   D435       3.08098   0.00005   0.01499  -0.01084   0.00415   3.08513
   D436      -1.10089   0.00001   0.01259  -0.00829   0.00431  -1.09657
   D437       0.98548   0.00006   0.01445  -0.01070   0.00377   0.98925
   D438      -2.37248   0.00001   0.00057   0.00451   0.00508  -2.36740
   D439      -0.28212   0.00000   0.00065   0.00441   0.00506  -0.27706
   D440       1.82529   0.00000   0.00060   0.00472   0.00532   1.83061
   D441       0.72715   0.00005  -0.00100   0.00517   0.00419   0.73133
   D442       2.81750   0.00004  -0.00092   0.00508   0.00417   2.82167
   D443      -1.35827   0.00004  -0.00096   0.00538   0.00443  -1.35384
   D444       0.00176  -0.00001   0.00004   0.00037   0.00041   0.00217
   D445       3.11397   0.00000   0.00079   0.00030   0.00109   3.11506
   D446      -3.11794  -0.00003   0.00030   0.00009   0.00039  -3.11756
   D447      -0.00574  -0.00002   0.00105   0.00002   0.00107  -0.00467
   D448       2.42805  -0.00001   0.00085  -0.00272  -0.00187   2.42618
   D449      -1.77074   0.00000   0.00075  -0.00259  -0.00184  -1.77258
   D450       0.33756  -0.00002   0.00083  -0.00286  -0.00203   0.33553
   D451      -0.68556  -0.00002   0.00013  -0.00264  -0.00251  -0.68806
   D452       1.39884  -0.00001   0.00003  -0.00251  -0.00248   1.39636
   D453      -2.77604  -0.00003   0.00011  -0.00278  -0.00268  -2.77871
   D454       2.06421  -0.00001  -0.00141   0.00217   0.00076   2.06497
   D455      -2.13461   0.00001  -0.00128   0.00228   0.00100  -2.13361
   D456      -0.04081  -0.00001  -0.00148   0.00243   0.00095  -0.03985
   D457      -1.10533   0.00000  -0.00069   0.00210   0.00140  -1.10393
   D458       0.97903   0.00002  -0.00056   0.00220   0.00165   0.98067
   D459       3.07283   0.00000  -0.00076   0.00236   0.00160   3.07443
   D460      -3.08587  -0.00007  -0.00009   0.00276   0.00268  -3.08319
   D461      -0.03010  -0.00005   0.00040   0.00101   0.00141  -0.02870
   D462       0.06839  -0.00001   0.00115   0.00061   0.00176   0.07015
   D463       3.12416   0.00001   0.00163  -0.00115   0.00048   3.12464
   D464       1.94471   0.00001  -0.00549   0.00241  -0.00308   1.94164
   D465      -2.25556  -0.00001  -0.00548   0.00291  -0.00257  -2.25812
   D466      -0.16212   0.00001  -0.00510   0.00244  -0.00266  -0.16478
   D467      -1.11450  -0.00001  -0.00598   0.00413  -0.00184  -1.11634
   D468       0.96842  -0.00003  -0.00597   0.00463  -0.00134   0.96708
   D469       3.06185  -0.00001  -0.00558   0.00416  -0.00143   3.06042
   D470      -1.64800  -0.00001   0.00626  -0.00470   0.00156  -1.64644
   D471       0.45591   0.00000   0.00618  -0.00453   0.00165   0.45756
   D472       2.54835  -0.00001   0.00562  -0.00393   0.00169   2.55003
   D473       1.41156   0.00001   0.00676  -0.00641   0.00035   1.41191
   D474      -2.76771   0.00001   0.00667  -0.00624   0.00043  -2.76728
   D475      -0.67528   0.00001   0.00612  -0.00564   0.00047  -0.67480
   D476      -0.00025   0.00014   0.00124   0.00623   0.00743   0.00718
   D477      -3.08017   0.00016   0.00443   0.00494   0.00934  -3.07084
   D478       3.11657  -0.00005  -0.00043   0.00696   0.00652   3.12308
   D479       0.03664  -0.00003   0.00276   0.00568   0.00842   0.04507
   D480      -0.34634   0.00009   0.00484  -0.00747  -0.00268  -0.34902
   D481       1.75976   0.00008   0.00373  -0.00696  -0.00323   1.75653
   D482      -2.43628   0.00004   0.00374  -0.00676  -0.00301  -2.43928
   D483       2.73659   0.00007   0.00178  -0.00618  -0.00446   2.73213
   D484      -1.44049   0.00006   0.00068  -0.00568  -0.00501  -1.44551
   D485       0.64665   0.00002   0.00068  -0.00547  -0.00479   0.64186
   D486      -0.04101  -0.00004   0.00546  -0.02071  -0.01525  -0.05626
   D487       2.05269  -0.00004   0.00367  -0.01707  -0.01340   2.03930
   D488      -2.14577  -0.00001   0.00449  -0.01866  -0.01416  -2.15993
   D489      -3.12391  -0.00003   0.00846  -0.02197  -0.01351  -3.13742
   D490      -1.03021  -0.00003   0.00668  -0.01834  -0.01165  -1.04187
   D491       1.05450   0.00000   0.00750  -0.01992  -0.01241   1.04209
         Item               Value     Threshold  Converged?
 Maximum Force            0.000478     0.000450     NO 
 RMS     Force            0.000043     0.000300     YES
 Maximum Displacement     0.042755     0.001800     NO 
 RMS     Displacement     0.003109     0.001200     NO 
 Predicted change in Energy=-1.701328D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:20:20 2016, MaxMem=  2952790016 cpu:         9.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.834830   -0.597350    1.672744
      2          6           0       -2.075408    1.105300   -1.360020
      3          8           0       -2.622194    0.123989   -1.893037
      4          7           0       -0.782940    1.155815   -0.937220
      5          1           0       -2.627723    2.043319   -1.150518
      6          6           0       -0.246256    2.326028   -0.240349
      7          1           0       -0.998746    3.126661   -0.226930
      8          1           0        0.021701    2.057867    0.793124
      9          1           0        0.657868    2.682978   -0.759781
     10          6           0        0.130427    0.022557   -1.104625
     11          1           0        0.695806   -0.123532   -0.170878
     12          1           0       -0.449200   -0.882549   -1.328665
     13          1           0        0.842330    0.218392   -1.923373
     14          6           0       -1.997730   -4.011596    2.609366
     15          8           0       -2.117100   -3.863748    3.837707
     16          7           0       -2.942741   -3.703460    1.680024
     17          1           0       -1.066916   -4.401982    2.151930
     18          6           0       -4.242162   -3.142731    2.058951
     19          1           0       -4.512119   -2.351965    1.341666
     20          1           0       -5.023069   -3.921138    2.037678
     21          1           0       -4.175627   -2.717222    3.068503
     22          6           0       -2.697969   -3.882831    0.248758
     23          1           0       -3.410993   -4.610635   -0.172039
     24          1           0       -2.830002   -2.920925   -0.273224
     25          1           0       -1.671592   -4.242695    0.091843
     26          6           0        1.540403    0.383974    2.620893
     27          8           0        1.363799    1.396789    3.318812
     28          7           0        1.168703   -0.881393    2.956814
     29          1           0        2.023206    0.432502    1.624962
     30          6           0        1.483057   -2.025875    2.101049
     31          1           0        2.229703   -2.675569    2.587971
     32          1           0        0.571510   -2.619163    1.921142
     33          1           0        1.877639   -1.668935    1.140046
     34          6           0        0.530896   -1.168631    4.244138
     35          1           0        1.281529   -1.480126    4.990582
     36          1           0        0.013880   -0.268761    4.600560
     37          1           0       -0.194023   -1.984647    4.110601
     38          6           0       -4.611022    1.141747    2.915454
     39          8           0       -4.873369    1.742052    1.859277
     40          7           0       -3.522515    1.363835    3.701557
     41          1           0       -5.255141    0.327485    3.304536
     42          6           0       -2.522174    2.381111    3.363370
     43          1           0       -2.595601    2.623760    2.295173
     44          1           0       -2.684111    3.293531    3.960983
     45          1           0       -1.520006    1.982251    3.583582
     46          6           0       -3.249425    0.547655    4.884333
     47          1           0       -4.062371   -0.176402    5.031952
     48          1           0       -2.298805    0.004747    4.750441
     49          1           0       -3.163805    1.189647    5.776033
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486338   0.000000
     3  O    3.722240   1.243404   0.000000
     4  N    3.315414   1.360803   2.315407   0.000000
     5  H    3.946216   1.108523   2.057959   2.058248   0.000000
     6  C    3.837921   2.467719   3.636679   1.463918   2.565096
     7  H    4.263339   2.555190   3.798360   2.106020   2.163380
     8  H    3.357173   3.152979   4.236216   2.110742   3.285940
     9  H    4.784482   3.212499   4.311786   2.107045   3.370007
    10  C    3.458366   2.470480   2.865102   1.465107   3.419501
    11  H    3.166633   3.256334   3.746494   2.100166   4.086659
    12  H    3.318097   2.568478   2.460394   2.102270   3.652178
    13  H    4.556827   3.101156   3.465943   2.119614   3.996115
    14  C    3.544133   6.476472   6.145295   6.384052   7.155111
    15  O    3.928880   7.190935   6.999900   7.055206   7.748327
    16  N    3.297793   5.754851   5.245845   5.926826   6.413788
    17  H    3.910823   6.609160   6.266184   6.364950   7.408386
    18  C    3.524680   5.867704   5.377171   6.278595   6.308900
    19  H    3.218099   5.018899   4.490598   5.603982   5.392629
    20  H    4.620132   6.745230   6.130071   7.252873   7.174749
    21  H    3.452729   6.215659   5.924738   6.523539   6.546671
    22  C    3.683359   5.277992   4.543967   5.519224   6.089513
    23  H    4.689773   5.988906   5.099088   6.383111   6.770970
    24  H    3.190009   4.238044   3.455210   4.609898   5.045223
    25  H    3.976737   5.556260   4.889921   5.567098   6.478551
    26  C    3.640628   5.426054   6.145760   4.319007   5.860908
    27  O    4.113071   5.814171   6.683677   4.772878   6.027036
    28  N    3.278830   5.753804   6.237207   4.808599   6.311653
    29  H    3.993409   5.114823   5.835344   3.868128   5.650590
    30  C    3.637651   5.869066   6.117821   4.948633   6.635476
    31  H    4.655863   6.958130   7.173413   6.015188   7.735554
    32  H    3.152762   5.625285   5.680898   4.924960   6.434978
    33  H    3.900576   5.438134   5.715127   4.401469   6.271030
    34  C    3.540493   6.585603   7.019812   5.828867   7.028216
    35  H    4.636705   7.634369   8.074432   6.808014   8.087646
    36  H    3.478189   6.463874   7.019255   5.773330   6.737853
    37  H    3.249614   6.558588   6.810729   5.974096   7.058809
    38  C    3.503717   4.970950   5.302156   5.431161   4.612855
    39  O    3.839311   4.312528   4.665380   4.989556   3.767299
    40  N    3.287949   5.270723   5.800628   5.391363   4.980460
    41  H    3.900845   5.698577   5.829973   6.219261   5.449304
    42  C    3.493120   4.913013   5.721400   4.798057   4.527739
    43  H    3.367749   3.992086   4.877568   3.986096   3.494385
    44  H    4.593067   5.785494   6.657281   5.672448   5.262476
    45  H    3.225640   5.051407   5.887386   4.654450   4.862352
    46  C    3.691397   6.378183   6.819505   6.351683   6.248435
    47  H    4.052581   6.815283   7.079535   6.939775   6.723712
    48  H    3.170175   6.212797   6.652413   5.997690   6.251822
    49  H    4.668674   7.219070   7.761676   7.123021   6.999517
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098834   0.000000
     8  H    1.100808   1.795590   0.000000
     9  H    1.102117   1.795872   1.790807   0.000000
    10  C    2.488944   3.417725   2.784916   2.734035   0.000000
    11  H    2.625386   3.665843   2.478350   2.867881   1.101307
    12  H    3.394199   4.193994   3.656471   3.776534   1.097897
    13  H    2.908559   3.837383   3.381783   2.731695   1.102499
    14  C    7.166172   7.745790   6.649452   7.951143   5.881936
    15  O    7.644863   8.163199   6.993531   8.467406   6.676930
    16  N    6.878488   7.352969   6.539678   7.726812   5.575108
    17  H    7.187670   7.895827   6.690372   7.851725   5.622750
    18  C    7.152718   7.419587   6.843176   8.117538   6.256740
    19  H    6.525640   6.694746   6.348467   7.516348   5.759855
    20  H    8.187456   8.425859   7.921308   9.149490   7.210085
    21  H    7.198809   7.423169   6.752510   8.196377   6.592685
    22  C    6.693284   7.228182   6.556281   7.442354   5.008345
    23  H    7.624797   8.104795   7.562000   8.372446   5.905746
    24  H    5.848704   6.318935   5.835895   6.618587   4.256695
    25  H    6.729789   7.406872   6.561716   7.356398   4.782382
    26  C    3.892355   4.698904   2.906735   4.182492   3.999766
    27  O    4.015395   4.598518   2.935533   4.334460   4.793382
    28  N    4.744629   5.558647   3.825756   5.174820   4.288405
    29  H    3.495037   4.451987   2.709204   3.551871   3.346835
    30  C    5.235621   6.174744   4.530252   5.571228   4.037576
    31  H    6.256655   7.211964   5.522876   6.510924   5.032107
    32  H    5.458544   6.332015   4.842450   5.942012   4.040854
    33  H    4.730344   5.756732   4.177789   4.902686   3.309447
    34  C    5.738226   6.385906   4.751744   6.315871   5.494412
    35  H    6.647073   7.324245   5.632336   7.126504   6.382369
    36  H    5.498636   5.988235   4.462042   6.153108   5.713806
    37  H    6.124983   6.751831   5.233938   6.799490   5.597563
    38  C    5.514781   5.182953   5.177420   6.606357   6.316246
    39  O    5.114649   4.613253   5.019773   6.191880   6.064598
    40  N    5.215201   4.990990   4.637039   6.254541   6.184044
    41  H    6.453629   6.198673   6.094791   7.551868   6.966924
    42  C    4.262585   3.970759   3.630695   5.215761   5.706316
    43  H    3.469430   3.027186   3.070285   4.463330   5.075048
    44  H    4.952817   4.517401   4.345528   5.816117   6.654418
    45  H    4.045129   4.012653   3.188923   4.909069   5.342622
    46  C    6.200323   6.151572   5.451513   7.189059   6.896865
    47  H    6.972952   6.924728   6.295972   8.000055   7.434831
    48  H    5.874461   6.017534   5.025973   6.802748   6.339028
    49  H    6.782353   6.668963   5.977511   7.717000   7.717352
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796556   0.000000
    13  H    1.791541   1.798276   0.000000
    14  C    5.486523   5.262792   6.819418   0.000000
    15  O    6.162014   6.193613   7.655856   1.242952   0.000000
    16  N    5.429617   4.819492   6.533923   1.360760   2.315809
    17  H    5.177621   4.988239   6.449896   1.108180   2.057773
    18  C    6.202517   5.565153   7.280666   2.468877   2.863517
    19  H    5.863120   5.079090   6.777708   3.268576   3.775159
    20  H    7.211454   6.440929   8.199301   3.080209   3.418780
    21  H    6.399350   6.048750   7.662672   2.574771   2.478655
    22  C    5.081941   4.067791   5.837113   2.465641   3.635702
    23  H    6.082753   4.899860   6.669139   3.176850   4.279026
    24  H    4.501910   3.307136   5.105322   3.192423   4.277488
    25  H    4.758266   3.847424   5.502925   2.549058   3.791250
    26  C    2.960556   4.600174   4.600551   5.642654   5.735948
    27  O    3.864651   5.484651   5.398245   6.407325   6.329230
    28  N    3.252759   4.580714   5.013209   4.466004   4.524038
    29  H    2.301349   4.070143   3.745796   6.073466   6.363658
    30  C    3.065996   4.099238   4.652229   4.039474   4.399419
    31  H    4.059185   5.072620   5.536428   4.433578   4.676356
    32  H    3.258861   3.823471   4.785954   3.002252   3.528575
    33  H    2.345959   3.482402   3.744116   4.760824   5.296463
    34  C    4.540022   5.665560   6.329219   4.141120   3.800095
    35  H    5.368807   6.579165   7.133066   4.778292   4.308301
    36  H    4.822109   5.978870   6.594341   4.692573   4.248170
    37  H    4.752537   5.555660   6.506631   3.100901   2.702539
    38  C    6.268078   6.279418   7.348869   5.786185   5.667908
    39  O    6.214309   6.051840   7.021338   6.475832   6.552572
    40  N    5.916270   6.308300   7.211362   5.693251   5.414919
    41  H    6.906207   6.784380   8.032564   5.470065   5.262889
    42  C    5.396252   6.079794   6.629245   6.458349   6.275934
    43  H    4.945946   5.480277   5.949898   6.669641   6.685517
    44  H    6.338173   7.100341   7.517839   7.460755   7.180761
    45  H    4.841499   5.786525   6.246469   6.091266   5.881905
    46  C    6.447519   6.963339   7.949574   5.246807   4.673121
    47  H    7.050708   7.349224   8.519888   4.984012   4.336683
    48  H    5.762251   6.415907   7.379171   4.561344   3.978863
    49  H    7.210187   7.882881   8.733459   6.200036   5.512667
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056537   0.000000
    18  C    1.465092   3.417095   0.000000
    19  H    2.098564   4.090051   1.101220   0.000000
    20  H    2.122043   3.986905   1.102809   1.791035   0.000000
    21  H    2.102510   3.652753   1.097580   1.796833   1.797268
    22  C    1.463082   2.559670   2.491801   2.613261   2.933904
    23  H    2.114797   3.307425   2.796944   2.933491   2.820824
    24  H    2.107190   3.344155   2.735403   2.400229   3.339197
    25  H    2.104499   2.152896   3.418664   3.633938   3.888711
    26  C    6.139293   5.470229   6.796431   6.764229   7.871041
    27  O    6.873460   6.394977   7.322656   7.244907   8.409146
    28  N    5.147642   4.247397   5.932728   6.086297   6.958657
    29  H    6.462959   5.761839   7.226719   7.109429   8.293040
    30  C    4.751761   3.485805   5.833289   6.051870   6.776851
    31  H    5.351177   3.746776   6.510233   6.863683   7.379496
    32  H    3.685620   2.432313   4.844022   5.123521   5.745262
    33  H    5.259936   4.142929   6.361480   6.429322   7.314229
    34  C    5.006614   4.169520   5.608404   5.937729   6.579612
    35  H    5.809256   4.702168   6.470694   6.902249   7.377408
    36  H    5.391502   4.924167   5.730041   5.953553   6.728973
    37  H    4.051848   3.231384   4.683786   5.142750   5.600598
    38  C    5.271194   6.623941   4.384794   3.833095   5.154909
    39  O    5.780403   7.233524   4.929442   4.142391   5.667976
    40  N    5.486366   6.455692   4.850277   4.511715   5.740305
    41  H    4.922880   6.421650   3.823612   3.403586   4.439547
    42  C    6.327127   7.042422   5.930658   5.518078   6.908711
    43  H    6.366524   7.191554   6.001615   5.416646   6.985313
    44  H    7.363935   8.069009   6.889900   6.486452   7.824403
    45  H    6.162387   6.558456   6.000007   5.724016   7.036425
    46  C    5.332319   6.060386   4.752606   4.748966   5.587430
    47  H    4.992908   5.926449   4.203590   4.307385   4.889956
    48  H    4.857253   5.262041   4.574645   4.698148   5.494841
    49  H    6.385034   6.985513   5.809394   5.833060   6.599416
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390144   0.000000
    23  H    3.830247   1.102349   0.000000
    24  H    3.608233   1.102344   1.789668   0.000000
    25  H    4.178249   1.098897   1.797367   1.795067   0.000000
    26  C    6.518495   6.465016   7.567225   6.196668   6.174064
    27  O    6.904563   7.334683   8.430529   7.009517   7.171520
    28  N    5.651956   5.594045   6.683605   5.530142   5.251065
    29  H    7.101416   6.542593   7.628431   6.196951   6.153003
    30  C    5.782269   4.935610   5.983280   5.004074   4.347759
    31  H    6.423465   5.586711   6.571117   5.817838   4.889441
    32  H    4.884810   3.883712   4.920132   4.059136   3.318689
    33  H    6.438936   5.160612   6.192317   5.072149   4.507772
    34  C    5.092309   5.809949   6.847518   5.896840   5.616260
    35  H    5.916532   6.640353   7.646732   6.832879   6.352193
    36  H    5.088627   6.273261   7.304747   6.235014   6.241914
    37  H    4.180408   4.978622   5.965376   5.200281   4.840703
    38  C    3.886469   6.001452   6.637966   5.463058   6.753166
    39  O    4.672708   6.242230   6.827988   5.519625   7.013729
    40  N    4.181189   6.334761   7.121199   5.885374   6.920198
    41  H    3.239028   5.796867   6.314466   5.406832   6.637000
    42  C    5.367854   6.997762   7.885026   6.436704   7.436477
    43  H    5.623221   6.821584   7.686902   6.115156   7.270259
    44  H    6.257020   8.079664   8.949082   7.521253   8.531714
    45  H    5.422424   6.848929   7.819634   6.374337   7.138990
    46  C    3.848962   6.435981   7.225023   6.229554   6.957368
    47  H    3.213055   6.203076   6.867914   6.098855   6.830464
    48  H    3.709514   5.961354   6.838825   5.837716   6.335353
    49  H    4.859849   7.516502   8.311675   7.321321   8.002941
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242608   0.000000
    28  N    1.360939   2.314998   0.000000
    29  H    1.107850   2.057619   2.056775   0.000000
    30  C    2.465948   3.634804   1.463213   2.561648   0.000000
    31  H    3.136402   4.227057   2.116798   3.260388   1.103030
    32  H    3.232218   4.325399   2.109289   3.392316   1.102395
    33  H    2.553639   3.796013   2.103202   2.161567   1.098466
    34  C    2.462643   2.851550   1.465096   3.413312   2.496860
    35  H    3.026105   3.328396   2.123069   3.941526   2.947517
    36  H    2.583683   2.497842   2.100199   3.658325   3.390204
    37  H    3.292086   3.806291   2.098909   4.115473   2.617746
    38  C    6.204919   5.993850   6.123727   6.795689   6.916277
    39  O    6.600068   6.414960   6.677850   7.023714   7.393231
    40  N    5.268880   4.901393   5.253876   5.994552   6.253600
    41  H    6.830079   6.704774   6.545844   7.470364   7.238094
    42  C    4.587413   4.008948   4.942853   5.242101   6.087434
    43  H    4.714792   4.269678   5.185928   5.155984   6.188072
    44  H    5.301686   4.516148   5.769100   5.983420   7.008617
    45  H    3.584322   2.954522   3.977744   4.335005   5.223157
    46  C    5.300227   4.945071   5.027660   6.199790   6.063507
    47  H    6.125218   5.903651   5.671626   7.000899   6.539305
    48  H    4.406621   4.171572   4.003243   5.350829   5.044322
    49  H    5.721328   5.155584   5.568468   6.686535   6.740803
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788140   0.000000
    33  H    1.798262   1.794162   0.000000
    34  C    2.810639   2.738978   3.420440   0.000000
    35  H    2.846165   3.350074   3.900977   1.103475   0.000000
    36  H    3.840978   3.607578   4.172438   1.097319   1.796234
    37  H    2.944524   2.404658   3.635334   1.099646   1.790576
    38  C    7.840578   6.480104   7.290730   5.791595   6.775141
    39  O    8.396427   6.976441   7.597910   6.585265   7.620385
    40  N    7.116521   5.982909   6.702291   4.810189   5.729619
    41  H    8.096585   6.674308   7.716688   6.049747   6.988438
    42  C    6.982234   6.054226   6.380000   4.764206   5.659075
    43  H    7.173017   6.136672   6.306459   5.287313   6.256137
    44  H    7.852443   7.051239   7.307073   5.507026   6.290800
    45  H    6.061917   5.320823   5.553920   3.817145   4.670792
    46  C    6.758941   5.780033   6.724563   4.200752   4.965152
    47  H    7.197851   6.092378   7.256604   4.764795   5.500788
    48  H    5.689267   4.809215   5.768783   3.104895   3.883466
    49  H    7.361628   6.581778   7.421593   4.643167   5.244580
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796538   0.000000
    38  C    5.120433   5.541896   0.000000
    39  O    5.953419   6.391637   1.242860   0.000000
    40  N    3.997457   4.739041   1.360930   2.315567   0.000000
    41  H    5.458733   5.622332   1.108737   2.058040   2.057582
    42  C    3.870921   5.003848   2.469805   2.863356   1.466255
    43  H    4.526685   5.504614   2.577408   2.481056   2.103449
    44  H    4.514214   5.837986   3.071855   3.408388   2.119894
    45  H    2.907594   4.215716   3.272190   3.778355   2.099143
    46  C    3.375829   4.043105   2.466450   3.635208   1.462766
    47  H    4.100054   4.368381   2.553057   3.795267   2.105641
    48  H    2.333620   2.966007   3.163273   4.243281   2.108256
    49  H    3.688682   4.655042   3.206189   4.309146   2.112454
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419058   0.000000
    43  H    3.655797   1.097868   0.000000
    44  H    3.979768   1.102667   1.797596   0.000000
    45  H    4.094796   1.100874   1.796785   1.793607   0.000000
    46  C    2.562641   2.490740   3.382521   2.951608   2.596327
    47  H    2.158835   3.420124   4.181182   3.884200   3.636094
    48  H    3.306769   2.760610   3.602174   3.404086   2.424585
    49  H    3.350419   2.766265   3.807351   2.819723   2.852568
                   46         47         48         49
    46  C    0.000000
    47  H    1.098604   0.000000
    48  H    1.102884   1.795056   0.000000
    49  H    1.102096   1.796432   1.789987   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2139790      0.1941459      0.1847405
 Leave Link  202 at Mon Nov 14 03:20:20 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.6758888986 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841245055 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.4917643931 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4036
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.20D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     226
 GePol: Fraction of low-weight points (<1% of avg)   =       5.60%
 GePol: Cavity surface area                          =    467.582 Ang**2
 GePol: Cavity volume                                =    457.988 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040096216 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.4877547715 Hartrees.
 Leave Link  301 at Mon Nov 14 03:20:20 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37498.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:20:21 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:20:21 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001478   -0.000459    0.000001
         Rot=    1.000000    0.000005    0.000124   -0.000092 Ang=   0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50895089680    
 Leave Link  401 at Mon Nov 14 03:20:28 2016, MaxMem=  2952790016 cpu:        79.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48867888.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.55D-15 for   2779.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.02D-15 for   1627   1075.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.66D-15 for   2059.
 Iteration    1 A^-1*A deviation from orthogonality  is 7.35D-11 for   1459   1428.
 E= -1013.45117928311    
 DIIS: error= 2.89D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45117928311     IErMin= 1 ErrMin= 2.89D-04
 ErrMax= 2.89D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.12D-05 BMatP= 9.12D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.89D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=5.53D-05 MaxDP=3.32D-03              OVMax= 4.28D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.53D-05    CP:  1.00D+00
 E= -1013.45134883136     Delta-E=       -0.000169548258 Rises=F Damp=F
 DIIS: error= 4.12D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45134883136     IErMin= 2 ErrMin= 4.12D-05
 ErrMax= 4.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-06 BMatP= 9.12D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-01 0.980D+00
 Coeff:      0.197D-01 0.980D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.80D-06 MaxDP=4.40D-04 DE=-1.70D-04 OVMax= 6.98D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.21D-06    CP:  1.00D+00  9.40D-01
 E= -1013.45134726671     Delta-E=        0.000001564656 Rises=F Damp=F
 DIIS: error= 5.73D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45134883136     IErMin= 2 ErrMin= 4.12D-05
 ErrMax= 5.73D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-06 BMatP= 1.74D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.221D-02 0.606D+00 0.392D+00
 Coeff:      0.221D-02 0.606D+00 0.392D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.76D-06 MaxDP=4.70D-04 DE= 1.56D-06 OVMax= 8.19D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.29D-06    CP:  1.00D+00  9.58D-01  4.45D-01
 E= -1013.45134958987     Delta-E=       -0.000002323166 Rises=F Damp=F
 DIIS: error= 3.29D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45134958987     IErMin= 4 ErrMin= 3.29D-05
 ErrMax= 3.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.63D-07 BMatP= 1.74D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-03 0.267D+00 0.312D+00 0.421D+00
 Coeff:     -0.116D-03 0.267D+00 0.312D+00 0.421D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.77D-06 MaxDP=2.00D-04 DE=-2.32D-06 OVMax= 3.37D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.72D-07    CP:  1.00D+00  9.63D-01  5.11D-01  4.08D-01
 E= -1013.45135036311     Delta-E=       -0.000000773231 Rises=F Damp=F
 DIIS: error= 1.17D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45135036311     IErMin= 5 ErrMin= 1.17D-05
 ErrMax= 1.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.90D-08 BMatP= 9.63D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.306D-04 0.159D+00 0.199D+00 0.292D+00 0.350D+00
 Coeff:     -0.306D-04 0.159D+00 0.199D+00 0.292D+00 0.350D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.11D-07 MaxDP=3.53D-05 DE=-7.73D-07 OVMax= 4.62D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.13D-07    CP:  1.00D+00  9.64D-01  5.02D-01  4.31D-01  5.64D-01
 E= -1013.45135040508     Delta-E=       -0.000000041970 Rises=F Damp=F
 DIIS: error= 5.66D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45135040508     IErMin= 6 ErrMin= 5.66D-07
 ErrMax= 5.66D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-10 BMatP= 4.90D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.162D-04 0.401D-01 0.524D-01 0.788D-01 0.123D+00 0.706D+00
 Coeff:     -0.162D-04 0.401D-01 0.524D-01 0.788D-01 0.123D+00 0.706D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.06D-08 MaxDP=3.55D-06 DE=-4.20D-08 OVMax= 3.21D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.44D-08    CP:  1.00D+00  9.64D-01  5.04D-01  4.33D-01  5.68D-01
                    CP:  8.79D-01
 E= -1013.45135040530     Delta-E=       -0.000000000226 Rises=F Damp=F
 DIIS: error= 1.96D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45135040530     IErMin= 7 ErrMin= 1.96D-07
 ErrMax= 1.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-11 BMatP= 2.45D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.867D-05 0.117D-01 0.158D-01 0.241D-01 0.413D-01 0.323D+00
 Coeff-Com:  0.584D+00
 Coeff:     -0.867D-05 0.117D-01 0.158D-01 0.241D-01 0.413D-01 0.323D+00
 Coeff:      0.584D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.91D-08 MaxDP=1.24D-06 DE=-2.26D-10 OVMax= 8.51D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.54D-08    CP:  1.00D+00  9.64D-01  5.04D-01  4.33D-01  5.68D-01
                    CP:  8.95D-01  8.18D-01
 E= -1013.45135040535     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 6.24D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45135040535     IErMin= 8 ErrMin= 6.24D-08
 ErrMax= 6.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-12 BMatP= 2.45D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.318D-05 0.117D-02 0.179D-02 0.279D-02 0.626D-02 0.786D-01
 Coeff-Com:  0.308D+00 0.601D+00
 Coeff:     -0.318D-05 0.117D-02 0.179D-02 0.279D-02 0.626D-02 0.786D-01
 Coeff:      0.308D+00 0.601D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.56D-09 MaxDP=4.52D-07 DE=-4.96D-11 OVMax= 5.91D-07

 Error on total polarization charges =  0.04313
 SCF Done:  E(RB97D) =  -1013.45135041     A.U. after    8 cycles
            NFock=  8  Conv=0.76D-08     -V/T= 2.0213
 KE= 9.923518707082D+02 PE=-6.028506208395D+03 EE= 2.174215232510D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:22:06 2016, MaxMem=  2952790016 cpu:      1112.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37498.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 03:22:14 2016, MaxMem=  2952790016 cpu:        97.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:22:14 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:22:51 2016, MaxMem=  2952790016 cpu:       439.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.22671864D+00-2.58151917D+00 3.29881060D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000147756    0.000562110    0.000017239
      2        6           0.000123563   -0.000016150    0.000234684
      3        8          -0.000068563   -0.000013954   -0.000180935
      4        7           0.000007914    0.000259163    0.000304207
      5        1           0.000128618    0.000103207   -0.000109124
      6        6          -0.000106286    0.000059774   -0.001027388
      7        1          -0.000077733   -0.000051407   -0.000022848
      8        1           0.000140959   -0.000323475    0.000633056
      9        1           0.000035044    0.000267623    0.000125070
     10        6          -0.000142509    0.000089656    0.000167880
     11        1          -0.000086884   -0.000099129   -0.000217181
     12        1           0.000066209    0.000030222    0.000043523
     13        1           0.000016918    0.000051665    0.000006164
     14        6           0.000060603   -0.000019461   -0.000001806
     15        8          -0.000005747   -0.000003572   -0.000048625
     16        7           0.000039801    0.000060199    0.000045130
     17        1           0.000013377   -0.000039203    0.000005737
     18        6           0.000055230   -0.000164062    0.000006283
     19        1          -0.000018848    0.000183105   -0.000206879
     20        1           0.000004153   -0.000013505   -0.000047741
     21        1          -0.000028261   -0.000020163    0.000014724
     22        6          -0.000030167   -0.000063061   -0.000064003
     23        1           0.000029403   -0.000004973   -0.000062856
     24        1          -0.000008409    0.000110748   -0.000064717
     25        1           0.000027294    0.000032129   -0.000015894
     26        6           0.000204560   -0.000093918    0.000015952
     27        8          -0.000137022    0.000074651    0.000030788
     28        7           0.000009205   -0.000112783    0.000059992
     29        1          -0.000008599    0.000056118    0.000030942
     30        6          -0.000219462   -0.000117450    0.000011504
     31        1          -0.000023873    0.000046892    0.000055536
     32        1           0.000222500    0.000096858    0.000128086
     33        1           0.000002359   -0.000024368   -0.000018920
     34        6          -0.000000567   -0.000045414    0.000008881
     35        1          -0.000014555   -0.000014001    0.000004857
     36        1          -0.000036199    0.000000924   -0.000002023
     37        1          -0.000019497   -0.000021483   -0.000016064
     38        6          -0.000067740   -0.000199643    0.000039384
     39        8           0.000185591   -0.000214523    0.000132613
     40        7          -0.000138225    0.000210114   -0.000179921
     41        1          -0.000037705   -0.000166544   -0.000100280
     42        6          -0.000410097   -0.000690740    0.000214588
     43        1           0.000110023    0.000155859   -0.000003607
     44        1           0.000423582    0.000069103   -0.000083864
     45        1          -0.000257922    0.000266924   -0.000097523
     46        6          -0.000138900    0.000027022    0.000340913
     47        1          -0.000013040   -0.000042561   -0.000048418
     48        1           0.000091444   -0.000219128   -0.000035389
     49        1          -0.000049298   -0.000019393   -0.000021730
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001027388 RMS     0.000173419
 Leave Link  716 at Mon Nov 14 03:22:51 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000539101 RMS     0.000040641
 Search for a local minimum.
 Step number  71 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .40641D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   44   45   46   48   49
                                                     51   53   55   56   57
                                                     59   60   61   62   63
                                                     64   65   66   67   68
                                                     69   70   71
 DE= -1.72D-05 DEPred=-1.70D-05 R= 1.01D+00
 TightC=F SS=  1.41D+00  RLast= 8.47D-02 DXNew= 2.8056D-01 2.5396D-01
 Trust test= 1.01D+00 RLast= 8.47D-02 DXMaxT set to 2.54D-01
 ITU=  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0
 ITU=  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00000   0.00006   0.00009   0.00021   0.00074
     Eigenvalues ---    0.00139   0.00159   0.00202   0.00281   0.00345
     Eigenvalues ---    0.00404   0.00504   0.00568   0.00636   0.00707
     Eigenvalues ---    0.00746   0.00796   0.00867   0.00984   0.01007
     Eigenvalues ---    0.01106   0.01139   0.01235   0.01270   0.01294
     Eigenvalues ---    0.01323   0.01418   0.01518   0.01601   0.01634
     Eigenvalues ---    0.01689   0.01780   0.01790   0.01839   0.01888
     Eigenvalues ---    0.01915   0.02019   0.02065   0.02134   0.02217
     Eigenvalues ---    0.02289   0.02352   0.02577   0.02764   0.03029
     Eigenvalues ---    0.03084   0.03655   0.04014   0.04278   0.04386
     Eigenvalues ---    0.04583   0.05299   0.05514   0.05756   0.06112
     Eigenvalues ---    0.06262   0.06298   0.06341   0.06603   0.06864
     Eigenvalues ---    0.06901   0.07171   0.07455   0.07851   0.07978
     Eigenvalues ---    0.08059   0.08139   0.08176   0.08363   0.08421
     Eigenvalues ---    0.08561   0.08789   0.08951   0.09162   0.09383
     Eigenvalues ---    0.09649   0.09685   0.09810   0.10027   0.10084
     Eigenvalues ---    0.10184   0.10464   0.10572   0.10756   0.10874
     Eigenvalues ---    0.11245   0.11308   0.11443   0.11710   0.13120
     Eigenvalues ---    0.13421   0.14162   0.14758   0.15035   0.15242
     Eigenvalues ---    0.15550   0.15874   0.19737   0.21844   0.22317
     Eigenvalues ---    0.23496   0.23852   0.24773   0.25431   0.25803
     Eigenvalues ---    0.26936   0.27625   0.28018   0.29090   0.29479
     Eigenvalues ---    0.29895   0.30579   0.32792   0.32820   0.32831
     Eigenvalues ---    0.32877   0.33292   0.33347   0.33359   0.33374
     Eigenvalues ---    0.33391   0.33423   0.33441   0.33486   0.33694
     Eigenvalues ---    0.33790   0.33808   0.33833   0.33915   0.33941
     Eigenvalues ---    0.34015   0.34129   0.34236   0.37264   0.39000
     Eigenvalues ---    0.40629   0.41057   0.85889   0.85983   0.86206
     Eigenvalues ---    0.88329
 Eigenvalue     1 is   1.17D-06 Eigenvector:
                         D354      D355       R3        R4       D356
   1                   -0.15878  -0.15564   0.14989   0.14314  -0.13379
                         D357      D488      D486      D487      D352
   1                   -0.13066   0.11498   0.11332   0.11137  -0.11105
 Eigenvalue     2 is   5.61D-05 Eigenvector:
                         D480      D407      D389      D482      D481
   1                   -0.16577  -0.16456  -0.15343  -0.15340  -0.15154
                         D403      D405      D391      D488      D486
   1                   -0.15049  -0.14840  -0.14140   0.13945   0.13938
 Eigenvalue     3 is   9.43D-05 Eigenvector:
                          R18      D481      D488      D486      D487
   1                    0.18398  -0.14607   0.14376   0.14189   0.13988
                         D480       R22      D482       D76       D78
   1                   -0.13659  -0.13521  -0.13480   0.12170   0.12117
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    71   70   69   68   67
 RFO step:  Lambda=-8.08156094D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.67D-06 SmlDif=  1.00D-05
 RMS Error=  0.5610032780D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.63212    0.34609   -0.00499    0.05641   -1.02963
 Maximum step size (   0.254) exceeded in Quadratic search.
    -- Step size scaled by   0.650
 Iteration  1 RMS(Cart)=  0.01859085 RMS(Int)=  0.00094752
 Iteration  2 RMS(Cart)=  0.00043328 RMS(Int)=  0.00014390
 Iteration  3 RMS(Cart)=  0.00000024 RMS(Int)=  0.00014390
 ITry= 1 IFail=0 DXMaxC= 1.93D-01 DCOld= 1.00D+10 DXMaxT= 2.54D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58822   0.00002  -0.00610   0.03791   0.03186   6.62008
    R2        6.26522   0.00007   0.00408   0.03392   0.03799   6.30321
    R3        7.25262   0.00020  -0.00270   0.05931   0.05644   7.30906
    R4        6.34414  -0.00011  -0.00567   0.07477   0.06918   6.41332
    R5        6.53537  -0.00009   0.00323  -0.00482  -0.00161   6.53375
    R6        5.98407   0.00003  -0.00631  -0.00761  -0.01389   5.97018
    R7        6.69744   0.00002   0.00235  -0.00634  -0.00402   6.69342
    R8        6.23193  -0.00001  -0.00108  -0.00331  -0.00446   6.22747
    R9        6.66068   0.00000   0.00187   0.00904   0.01082   6.67150
   R10        6.08133  -0.00004   0.00146  -0.01045  -0.00898   6.07235
   R11        6.96054   0.00001  -0.00316  -0.00228  -0.00547   6.95507
   R12        6.02824  -0.00002  -0.00350  -0.00046  -0.00396   6.02429
   R13        6.87979   0.00004   0.00408  -0.00410  -0.00001   6.87978
   R14        6.19609   0.00002  -0.00313  -0.00040  -0.00358   6.19251
   R15        6.87416   0.00000  -0.00579   0.00340  -0.00243   6.87173
   R16        5.95786   0.00005  -0.00107   0.01172   0.01066   5.96852
   R17        6.69056  -0.00003  -0.00151   0.00200   0.00045   6.69101
   R18        6.62106  -0.00018  -0.00681  -0.10689  -0.11384   6.50723
   R19        6.21332  -0.00006   0.00267   0.02221   0.02465   6.23798
   R20        6.60104  -0.00012  -0.00075   0.03827   0.03717   6.63821
   R21        6.09558   0.00006  -0.00714  -0.00074  -0.00788   6.08770
   R22        6.97573   0.00009   0.00849   0.04650   0.05449   7.03022
   R23        5.99076   0.00002   0.00549   0.03155   0.03728   6.02804
   R24        2.34969   0.00015   0.00012   0.00123   0.00135   2.35104
   R25        2.57155  -0.00007  -0.00004  -0.00231  -0.00242   2.56913
   R26        2.09481  -0.00001   0.00003  -0.00002   0.00001   2.09481
   R27        2.76640  -0.00022   0.00007  -0.00304  -0.00292   2.76349
   R28        2.76865  -0.00003  -0.00002  -0.00107  -0.00108   2.76757
   R29        2.07649   0.00000   0.00000  -0.00013  -0.00013   2.07636
   R30        2.08023   0.00054  -0.00111   0.00366   0.00270   2.08293
   R31        2.08270   0.00006  -0.00010   0.00046   0.00036   2.08306
   R32        2.08117  -0.00011   0.00011  -0.00176  -0.00166   2.07951
   R33        2.07472  -0.00003  -0.00001  -0.00002  -0.00004   2.07469
   R34        2.08342   0.00001  -0.00007   0.00019   0.00012   2.08354
   R35        2.34884  -0.00001  -0.00003   0.00030   0.00027   2.34911
   R36        2.57146   0.00004   0.00005   0.00062   0.00076   2.57223
   R37        2.09416   0.00000   0.00002   0.00009   0.00010   2.09426
   R38        2.76862   0.00001   0.00000   0.00004   0.00011   2.76873
   R39        2.76482   0.00006  -0.00001   0.00047   0.00052   2.76535
   R40        2.08100   0.00016  -0.00030   0.00194   0.00178   2.08278
   R41        2.08401   0.00000   0.00001   0.00005   0.00006   2.08407
   R42        2.07413   0.00005  -0.00006  -0.00005  -0.00011   2.07401
   R43        2.08314   0.00002   0.00002   0.00016   0.00018   2.08332
   R44        2.08313   0.00006  -0.00008   0.00189   0.00191   2.08504
   R45        2.07661  -0.00001   0.00002  -0.00008  -0.00006   2.07655
   R46        2.34819   0.00007  -0.00014   0.00003  -0.00011   2.34808
   R47        2.57180   0.00005   0.00011   0.00000   0.00024   2.57204
   R48        2.09353   0.00000   0.00004   0.00005   0.00009   2.09363
   R49        2.76507  -0.00005   0.00040   0.00025   0.00079   2.76587
   R50        2.76863  -0.00002   0.00012   0.00007   0.00025   2.76888
   R51        2.08442  -0.00002   0.00006   0.00006   0.00011   2.08454
   R52        2.08322  -0.00016   0.00018  -0.00241  -0.00228   2.08095
   R53        2.07580   0.00001  -0.00014  -0.00022  -0.00036   2.07544
   R54        2.08527   0.00000  -0.00003  -0.00019  -0.00022   2.08504
   R55        2.07363   0.00002   0.00012   0.00093   0.00105   2.07468
   R56        2.07803   0.00001  -0.00006   0.00023   0.00017   2.07820
   R57        2.34867  -0.00025   0.00041   0.00046   0.00087   2.34954
   R58        2.57178  -0.00005   0.00000   0.00022   0.00146   2.57325
   R59        2.09521   0.00009  -0.00031  -0.00051  -0.00081   2.09440
   R60        2.77082  -0.00001   0.00032  -0.00414  -0.00365   2.76717
   R61        2.76423   0.00011  -0.00085   0.00071   0.00016   2.76438
   R62        2.07467   0.00005  -0.00038  -0.00148  -0.00185   2.07282
   R63        2.08374  -0.00005  -0.00002   0.00039   0.00037   2.08411
   R64        2.08035  -0.00024   0.00040  -0.00631  -0.00561   2.07474
   R65        2.07606  -0.00001   0.00015   0.00113   0.00128   2.07734
   R66        2.08415   0.00013  -0.00009   0.00334   0.00402   2.08817
   R67        2.08266  -0.00001  -0.00001  -0.00084  -0.00085   2.08180
    A1        0.68082  -0.00005   0.00042  -0.00606  -0.00562   0.67519
    A2        0.95694   0.00002   0.00019  -0.00667  -0.00649   0.95045
    A3        0.72736  -0.00003   0.00024  -0.00272  -0.00252   0.72484
    A4        1.01880  -0.00003   0.00015  -0.00432  -0.00424   1.01456
    A5        2.34228   0.00002  -0.00126   0.00268   0.00143   2.34371
    A6        2.02498   0.00002  -0.00177   0.00356   0.00178   2.02676
    A7        1.98327   0.00002  -0.00227   0.00458   0.00228   1.98554
    A8        1.69046  -0.00001  -0.00206   0.00646   0.00437   1.69483
    A9        1.65404   0.00000  -0.00158   0.00262   0.00103   1.65507
   A10        1.37306   0.00000  -0.00186   0.00229   0.00040   1.37346
   A11        1.73036  -0.00001   0.00066  -0.00307  -0.00241   1.72795
   A12        2.03330  -0.00001  -0.00014  -0.00239  -0.00251   2.03079
   A13        1.93601   0.00000  -0.00128  -0.00101  -0.00224   1.93377
   A14        2.02016   0.00000  -0.00034   0.00096   0.00064   2.02080
   A15        2.42905  -0.00001   0.00039  -0.00249  -0.00208   2.42697
   A16        1.58225   0.00004   0.00036  -0.02063  -0.02004   1.56220
   A17        1.78241   0.00001   0.00123  -0.01934  -0.01820   1.76421
   A18        1.56182   0.00001   0.00232  -0.01263  -0.01030   1.55151
   A19        1.70267  -0.00003   0.00244  -0.01645  -0.01401   1.68865
   A20        2.18818   0.00002   0.00055  -0.02231  -0.02179   2.16639
   A21        2.40635   0.00003   0.00217  -0.01603  -0.01412   2.39223
   A22        0.64360   0.00001   0.00015  -0.00771  -0.00752   0.63608
   A23        0.65836   0.00000  -0.00013  -0.00263  -0.00282   0.65554
   A24        2.39210   0.00003  -0.00046   0.00443   0.00394   2.39605
   A25        2.22230   0.00002  -0.00146   0.00514   0.00363   2.22593
   A26        2.32516   0.00001  -0.00209   0.00420   0.00204   2.32720
   A27        2.06154  -0.00001  -0.00186   0.00580   0.00385   2.06539
   A28        1.81489   0.00002  -0.00164   0.00492   0.00322   1.81811
   A29        1.57472   0.00001  -0.00208   0.00427   0.00210   1.57682
   A30        1.33701   0.00000   0.00030  -0.00033  -0.00002   1.33700
   A31        1.63431   0.00001  -0.00035   0.00028  -0.00005   1.63426
   A32        1.58176   0.00002  -0.00112   0.00111   0.00005   1.58181
   A33        1.73044   0.00002   0.00007   0.00229   0.00238   1.73282
   A34        2.03205   0.00000   0.00000   0.00025   0.00029   2.03234
   A35        1.84226   0.00002  -0.00019  -0.02182  -0.02179   1.82047
   A36        1.91048  -0.00001   0.00035  -0.02114  -0.02079   1.88970
   A37        1.56335  -0.00001   0.00095  -0.01420  -0.01317   1.55017
   A38        1.58329  -0.00004   0.00106  -0.01599  -0.01489   1.56840
   A39        2.26850   0.00000   0.00006  -0.02141  -0.02139   2.24711
   A40        2.36066   0.00000   0.00257  -0.00700  -0.00471   2.35595
   A41        0.68872  -0.00003  -0.00007  -0.00453  -0.00458   0.68414
   A42        0.74518   0.00000   0.00014  -0.00630  -0.00617   0.73901
   A43        2.65633   0.00000   0.00063   0.00299   0.00358   2.65990
   A44        2.60137  -0.00002  -0.00099   0.00129   0.00025   2.60162
   A45        2.66246  -0.00003  -0.00184  -0.00185  -0.00372   2.65874
   A46        2.35800  -0.00006  -0.00162  -0.00096  -0.00262   2.35538
   A47        2.19409  -0.00003  -0.00126   0.00099  -0.00032   2.19377
   A48        1.96045  -0.00004  -0.00173  -0.00031  -0.00211   1.95835
   A49        1.09366   0.00003   0.00068   0.00175   0.00243   1.09609
   A50        1.45256   0.00004   0.00027   0.00163   0.00191   1.45447
   A51        1.55108   0.00003  -0.00008   0.00050   0.00049   1.55157
   A52        1.78424   0.00000   0.00106   0.00045   0.00155   1.78579
   A53        1.78070   0.00004   0.00054   0.00283   0.00339   1.78409
   A54        1.69783   0.00004  -0.00134  -0.01628  -0.01749   1.68033
   A55        1.63654   0.00002  -0.00076  -0.01615  -0.01691   1.61963
   A56        1.23790   0.00003  -0.00025  -0.01010  -0.01028   1.22762
   A57        1.20867   0.00001   0.00031  -0.01115  -0.01082   1.19785
   A58        1.93481   0.00004  -0.00062  -0.01451  -0.01524   1.91957
   A59        1.98214   0.00005   0.00217  -0.00063   0.00133   1.98347
   A60        0.84137   0.00000  -0.00015  -0.01152  -0.01164   0.82974
   A61        0.77728   0.00001   0.00029  -0.01527  -0.01493   0.76235
   A62        2.59941  -0.00003   0.00149  -0.00175  -0.00028   2.59913
   A63        2.76876   0.00000  -0.00032  -0.00315  -0.00349   2.76527
   A64        2.61464   0.00001  -0.00181  -0.00018  -0.00202   2.61262
   A65        2.39465   0.00001  -0.00122  -0.00347  -0.00473   2.38992
   A66        2.20034   0.00001  -0.00189  -0.00400  -0.00595   2.19439
   A67        0.85311  -0.00003   0.00120  -0.00205  -0.00074   0.85237
   A68        1.22872  -0.00003   0.00086  -0.00261  -0.00165   1.22707
   A69        1.40712  -0.00002   0.00075  -0.00615  -0.00526   1.40186
   A70        1.67675  -0.00004   0.00173  -0.00679  -0.00494   1.67181
   A71        1.51917  -0.00003   0.00098   0.00125   0.00230   1.52148
   A72        1.70978   0.00006  -0.00207  -0.00418  -0.00627   1.70351
   A73        1.54456   0.00002  -0.00150  -0.00579  -0.00729   1.53728
   A74        1.11658   0.00001  -0.00133  -0.00181  -0.00309   1.11349
   A75        1.01071  -0.00002  -0.00050  -0.00367  -0.00413   1.00658
   A76        1.76659   0.00001  -0.00088  -0.00411  -0.00503   1.76157
   A77        1.75696   0.00000   0.00218   0.00799   0.01016   1.76712
   A78        1.99438   0.00002   0.00026   0.00573   0.00599   2.00037
   A79        1.94069   0.00001  -0.00059   0.00788   0.00726   1.94794
   A80        2.22127   0.00000  -0.00120   0.00802   0.00674   2.22801
   A81        2.08045  -0.00002  -0.00120   0.01083   0.00952   2.08997
   A82        1.55337   0.00000  -0.00106   0.00809   0.00697   1.56034
   A83        1.38772   0.00000  -0.00164   0.00780   0.00606   1.39378
   A84        1.19609   0.00001  -0.00072   0.00009  -0.00060   1.19549
   A85        1.37911   0.00002  -0.00120   0.00090  -0.00024   1.37887
   A86        1.20964   0.00003  -0.00163   0.00180   0.00026   1.20990
   A87        1.31243   0.00003  -0.00008   0.00305   0.00304   1.31546
   A88        1.80543   0.00002  -0.00107   0.00079  -0.00021   1.80522
   A89        2.27331   0.00002  -0.00022  -0.02266  -0.02270   2.25061
   A90        2.31898  -0.00001  -0.00050  -0.02108  -0.02159   2.29739
   A91        1.92587   0.00000  -0.00044  -0.01466  -0.01504   1.91084
   A92        1.85139  -0.00001  -0.00079  -0.01479  -0.01553   1.83586
   A93        2.60777   0.00001  -0.00098  -0.01611  -0.01734   2.59042
   A94        2.54773   0.00001   0.00151   0.00522   0.00651   2.55424
   A95        1.91212  -0.00001   0.00056   0.00968   0.01025   1.92237
   A96        1.99401  -0.00002  -0.00045   0.01251   0.01202   2.00604
   A97        2.37124  -0.00002  -0.00101   0.01247   0.01139   2.38264
   A98        2.32752  -0.00004  -0.00133   0.01490   0.01341   2.34093
   A99        1.66660  -0.00002  -0.00122   0.01296   0.01165   1.67825
   A100       1.57394  -0.00003  -0.00191   0.01210   0.01005   1.58399
   A101       0.88975   0.00003  -0.00052  -0.00095  -0.00141   0.88834
   A102       1.05745   0.00003  -0.00088   0.00121   0.00043   1.05789
   A103       0.92530   0.00003  -0.00112   0.00353   0.00254   0.92783
   A104       1.08362   0.00001   0.00048   0.00523   0.00579   1.08941
   A105       1.48368   0.00003  -0.00074   0.00108   0.00044   1.48412
   A106       2.44253   0.00004  -0.00113  -0.02279  -0.02381   2.41872
   A107       2.31883   0.00003  -0.00139  -0.02012  -0.02151   2.29732
   A108       1.88751   0.00003  -0.00143  -0.01656  -0.01789   1.86962
   A109       1.71857   0.00003  -0.00155  -0.01504  -0.01653   1.70203
   A110       2.44396   0.00004  -0.00107  -0.00860  -0.01005   2.43391
   A111       2.28334   0.00003   0.00144   0.00889   0.01028   2.29362
   A112       0.71355   0.00001  -0.00026   0.00021  -0.00002   0.71353
   A113       1.00475   0.00003  -0.00028   0.00095   0.00070   1.00544
   A114       0.69525   0.00002   0.00004   0.00061   0.00067   0.69592
   A115       0.98265   0.00003   0.00015   0.00118   0.00137   0.98402
   A116       1.80643  -0.00001   0.00020   0.00491   0.00506   1.81149
   A117       1.42544  -0.00002   0.00047   0.00455   0.00496   1.43040
   A118       1.19447  -0.00002   0.00069   0.00508   0.00567   1.20014
   A119       0.92289   0.00001  -0.00025   0.00481   0.00449   0.92738
   A120       1.24858  -0.00002   0.00001   0.00244   0.00241   1.25099
   A121       1.92625  -0.00004   0.00067   0.01209   0.01257   1.93881
   A122       1.96921  -0.00001   0.00018   0.01565   0.01582   1.98503
   A123       2.32467  -0.00002  -0.00061   0.01006   0.00941   2.33408
   A124       2.23743   0.00002  -0.00113   0.01373   0.01260   2.25003
   A125       1.62210  -0.00002   0.00041   0.01736   0.01776   1.63986
   A126       1.49038  -0.00004  -0.00164   0.00868   0.00711   1.49749
   A127       0.65539   0.00002  -0.00004   0.00116   0.00113   0.65652
   A128       0.66078   0.00002   0.00034   0.00087   0.00124   0.66202
   A129       2.17095  -0.00001  -0.00039   0.00688   0.00645   2.17740
   A130       1.79804  -0.00001  -0.00009   0.00613   0.00598   1.80402
   A131       1.50704  -0.00001  -0.00037   0.00747   0.00700   1.51404
   A132       1.21561   0.00002  -0.00109   0.00759   0.00643   1.22204
   A133       1.64176  -0.00002  -0.00003   0.00274   0.00267   1.64443
   A134       1.77269  -0.00004   0.00195   0.00295   0.00478   1.77748
   A135       1.96926  -0.00001   0.00178   0.00846   0.01014   1.97940
   A136       2.39783  -0.00001   0.00165   0.00499   0.00656   2.40439
   A137       2.47303   0.00001   0.00071   0.00963   0.01029   2.48332
   A138       1.73300  -0.00002   0.00152   0.00980   0.01126   1.74426
   A139       1.69872  -0.00003  -0.00113   0.00039  -0.00079   1.69792
   A140       0.70465   0.00000   0.00021  -0.00048  -0.00026   0.70439
   A141       0.83356   0.00001   0.00044   0.00021   0.00068   0.83424
   A142       2.49697  -0.00001   0.00056   0.00306   0.00359   2.50056
   A143       2.11785  -0.00001   0.00080   0.00328   0.00405   2.12190
   A144       1.90335  -0.00001   0.00014   0.00590   0.00595   1.90930
   A145       1.62037   0.00002  -0.00088   0.00621   0.00527   1.62563
   A146       1.83409  -0.00001   0.00108  -0.00005   0.00103   1.83512
   A147       1.34735  -0.00004   0.00216   0.00232   0.00447   1.35182
   A148       1.58336  -0.00001   0.00243   0.00529   0.00765   1.59101
   A149       2.01345  -0.00001   0.00256   0.00278   0.00526   2.01871
   A150       2.18864   0.00000   0.00245   0.00396   0.00635   2.19498
   A151       1.43734  -0.00001   0.00226   0.00307   0.00534   1.44268
   A152       1.50156  -0.00002  -0.00041  -0.00871  -0.00916   1.49240
   A153       0.76546   0.00001   0.00043   0.00243   0.00287   0.76833
   A154       0.76780   0.00000   0.00076   0.00334   0.00413   0.77193
   A155       2.80857   0.00002   0.00019   0.00433   0.00434   2.81291
   A156       2.42668   0.00002   0.00046   0.00433   0.00470   2.43138
   A157       2.16134   0.00001  -0.00052   0.00907   0.00843   2.16977
   A158       1.86862   0.00004  -0.00121   0.00935   0.00805   1.87667
   A159       2.14438   0.00002   0.00105  -0.00167  -0.00066   2.14372
   A160       1.21101  -0.00004   0.00259  -0.00791  -0.00517   1.20584
   A161       1.53245  -0.00001   0.00289  -0.00442  -0.00160   1.53086
   A162       1.92943  -0.00001   0.00321  -0.00432  -0.00115   1.92827
   A163       2.18729  -0.00001   0.00324  -0.00535  -0.00216   2.18513
   A164       1.51058   0.00000   0.00238  -0.00784  -0.00548   1.50509
   A165       1.65256   0.00001  -0.00022  -0.01819  -0.01855   1.63401
   A166       2.16321   0.00000  -0.00179   0.01018   0.00833   2.17154
   A167       1.86376   0.00000  -0.00153   0.00901   0.00743   1.87119
   A168       1.47964   0.00000  -0.00196   0.00977   0.00770   1.48734
   A169       1.19964   0.00003  -0.00203   0.00990   0.00779   1.20742
   A170       1.86861   0.00000  -0.00111   0.00519   0.00404   1.87265
   A171       1.97598  -0.00003   0.00305  -0.00622  -0.00324   1.97273
   A172       2.27879  -0.00001   0.00297   0.00220   0.00495   2.28374
   A173       2.69416  -0.00001   0.00355  -0.00122   0.00218   2.69634
   A174       2.12143  -0.00001   0.00210   0.00689   0.00884   2.13026
   A175       2.10649  -0.00002  -0.00091   0.00055  -0.00054   2.10595
   A176       2.27107   0.00001  -0.00259   0.01075   0.00808   2.27916
   A177       2.05056   0.00001  -0.00227   0.00993   0.00761   2.05817
   A178       1.64118   0.00001  -0.00276   0.01032   0.00746   1.64864
   A179       1.38886   0.00004  -0.00235   0.01042   0.00799   1.39685
   A180       2.13408   0.00001  -0.00146   0.00619   0.00471   2.13879
   A181       1.90786  -0.00003   0.00360  -0.01290  -0.00928   1.89858
   A182       2.27937  -0.00002   0.00388  -0.00542  -0.00181   2.27755
   A183       2.59621  -0.00001   0.00435  -0.00782  -0.00359   2.59262
   A184       2.26154  -0.00001   0.00294  -0.00012   0.00259   2.26414
   A185       2.32527  -0.00001  -0.00025  -0.00491  -0.00544   2.31983
   A186       0.69130   0.00000   0.00011   0.00017   0.00033   0.69163
   A187       0.98211  -0.00003   0.00047  -0.00008   0.00042   0.98252
   A188       0.69954   0.00000  -0.00020   0.00057   0.00040   0.69994
   A189       2.10416   0.00002  -0.00103   0.00186   0.00068   2.10483
   A190       1.72581   0.00001  -0.00123  -0.00288  -0.00397   1.72184
   A191       1.39646   0.00000  -0.00197  -0.00546  -0.00731   1.38915
   A192       1.09243   0.00002  -0.00193  -0.00306  -0.00487   1.08756
   A193       1.61590   0.00000  -0.00029   0.00270   0.00240   1.61830
   A194       1.40165   0.00000   0.00188   0.01248   0.01450   1.41614
   A195       0.66717  -0.00003   0.00035  -0.00071  -0.00034   0.66683
   A196       2.25225   0.00001  -0.00042   0.01053   0.00983   2.26209
   A197       1.85482   0.00001  -0.00084   0.00441   0.00366   1.85848
   A198       1.63542   0.00000  -0.00198  -0.00159  -0.00350   1.63192
   A199       1.31592   0.00003  -0.00199   0.00192   0.00002   1.31594
   A200       1.60799   0.00000   0.00035   0.01045   0.01079   1.61878
   A201       1.33905  -0.00002   0.00178   0.01667   0.01863   1.35768
   A202       0.71004  -0.00001   0.00058  -0.00084  -0.00025   0.70979
   A203       2.63802  -0.00001   0.00048   0.01428   0.01434   2.65237
   A204       2.25204   0.00000  -0.00018   0.00663   0.00646   2.25850
   A205       2.04579   0.00000  -0.00158  -0.00246  -0.00397   2.04182
   A206       1.72671   0.00003  -0.00158   0.00103  -0.00047   1.72624
   A207       1.94862  -0.00002   0.00114   0.01434   0.01542   1.96404
   A208       1.66470  -0.00003   0.00193   0.01788   0.02001   1.68471
   A209       0.83565  -0.00003  -0.00029  -0.00200  -0.00227   0.83338
   A210       2.67951  -0.00004  -0.00003   0.01932   0.01904   2.69855
   A211       2.38280  -0.00002  -0.00078   0.01155   0.01080   2.39360
   A212       2.29009  -0.00003  -0.00180  -0.00072  -0.00248   2.28760
   A213       1.97325   0.00000  -0.00181   0.00268   0.00093   1.97418
   A214       2.00739  -0.00003   0.00019   0.01738   0.01756   2.02495
   A215       1.72846  -0.00005   0.00022   0.01706   0.01750   1.74596
   A216       1.93044  -0.00001   0.00004   0.01636   0.01618   1.94661
   A217       1.56187   0.00000  -0.00050   0.01077   0.01042   1.57229
   A218       1.48826   0.00000  -0.00162   0.00434   0.00276   1.49102
   A219       1.19564   0.00004  -0.00169   0.00864   0.00702   1.20266
   A220       1.23897  -0.00001   0.00053   0.01478   0.01536   1.25433
   A221       0.95617  -0.00002   0.00142   0.01848   0.02009   0.97626
   A222       0.72152   0.00003   0.00068   0.00484   0.00543   0.72695
   A223       1.01252   0.00000   0.00084   0.00460   0.00522   1.01774
   A224       0.69791  -0.00001  -0.00041   0.00120   0.00051   0.69843
   A225       0.98295   0.00001  -0.00093  -0.00097  -0.00225   0.98070
   A226       0.65599   0.00000   0.00040  -0.00078  -0.00035   0.65564
   A227       0.66413   0.00003  -0.00054  -0.00224  -0.00260   0.66153
   A228       0.70600   0.00001  -0.00080  -0.00660  -0.00736   0.69863
   A229       0.84917   0.00002   0.00031  -0.00135  -0.00094   0.84822
   A230       0.75824   0.00002  -0.00011   0.00011  -0.00001   0.75823
   A231       0.77744   0.00004   0.00146   0.00871   0.01026   0.78770
   A232       1.58861   0.00003  -0.00306  -0.01164  -0.01464   1.57397
   A233       1.85796   0.00014  -0.00128   0.02475   0.02347   1.88143
   A234       2.18971   0.00006  -0.00062   0.00149   0.00082   2.19053
   A235       2.12909  -0.00003  -0.00002  -0.00044  -0.00036   2.12873
   A236       1.96394  -0.00002   0.00062  -0.00073  -0.00021   1.96373
   A237       2.12442   0.00003   0.00017   0.00034   0.00041   2.12483
   A238       2.12691  -0.00009   0.00032  -0.00118  -0.00095   2.12597
   A239       2.03103   0.00006  -0.00076   0.00094   0.00031   2.03134
   A240       1.83947  -0.00003   0.00018  -0.02530  -0.02511   1.81436
   A241       2.53428   0.00008  -0.00034   0.02671   0.02635   2.56063
   A242       1.91473  -0.00002   0.00043  -0.00083  -0.00060   1.91413
   A243       1.91923  -0.00013   0.00071  -0.00820  -0.00760   1.91163
   A244       1.91271   0.00008  -0.00027   0.01130   0.01118   1.92389
   A245       1.90999   0.00004  -0.00049  -0.00108  -0.00144   1.90855
   A246       1.90875  -0.00004   0.00005  -0.00133  -0.00127   1.90748
   A247       1.89830   0.00007  -0.00044   0.00015  -0.00030   1.89801
   A248       1.28294  -0.00004   0.00416  -0.01344  -0.00922   1.27372
   A249       1.90262   0.00009  -0.00066  -0.00135  -0.00202   1.90060
   A250       1.90907   0.00004  -0.00011   0.00065   0.00064   1.90972
   A251       1.92837  -0.00005  -0.00011   0.00129   0.00117   1.92954
   A252       1.91207  -0.00007   0.00066  -0.00024   0.00034   1.91241
   A253       1.89833  -0.00002  -0.00027   0.00026   0.00001   1.89834
   A254       1.91325   0.00000   0.00050  -0.00064  -0.00016   1.91309
   A255       1.72237   0.00000   0.00305  -0.00001   0.00304   1.72540
   A256       1.76366   0.00003  -0.00237  -0.00160  -0.00396   1.75970
   A257       2.19112   0.00000   0.00039   0.00026   0.00065   2.19177
   A258       2.12999  -0.00001  -0.00014  -0.00055  -0.00069   2.12929
   A259       1.96187   0.00001  -0.00025   0.00027   0.00001   1.96188
   A260       2.12465   0.00001  -0.00014   0.00120   0.00108   2.12573
   A261       2.12252   0.00003  -0.00024   0.00015  -0.00012   2.12241
   A262       2.03567  -0.00003   0.00043  -0.00126  -0.00084   2.03483
   A263       1.34838   0.00002   0.00105   0.01560   0.01663   1.36502
   A264       1.90053   0.00000   0.00004   0.00078   0.00071   1.90124
   A265       1.93147   0.00001   0.00015  -0.00047  -0.00029   1.93118
   A266       1.90975   0.00000  -0.00012  -0.00043  -0.00058   1.90918
   A267       1.89726   0.00000   0.00008  -0.00076  -0.00067   1.89659
   A268       1.91303   0.00001  -0.00012   0.00090   0.00086   1.91389
   A269       1.91167  -0.00002  -0.00003   0.00000  -0.00002   1.91165
   A270       2.66391   0.00001   0.00006   0.00014   0.00019   2.66410
   A271       1.69959  -0.00001  -0.00001   0.00031   0.00031   1.69990
   A272       1.92427   0.00002  -0.00023  -0.00086  -0.00109   1.92318
   A273       1.91368   0.00000   0.00049   0.00133   0.00185   1.91553
   A274       1.91356  -0.00002   0.00010  -0.00017  -0.00006   1.91350
   A275       1.89430   0.00000   0.00011   0.00061   0.00070   1.89500
   A276       1.91072   0.00001  -0.00013  -0.00014  -0.00027   1.91045
   A277       1.90711   0.00000  -0.00034  -0.00077  -0.00113   1.90598
   A278       1.80721  -0.00007   0.00591  -0.00311   0.00280   1.81001
   A279       1.75353   0.00002  -0.00362   0.00090  -0.00271   1.75082
   A280       2.18999  -0.00003   0.00009  -0.00001   0.00006   2.19005
   A281       2.13075   0.00002   0.00032   0.00066   0.00099   2.13174
   A282       1.96238   0.00001  -0.00041  -0.00066  -0.00105   1.96132
   A283       2.12258   0.00001  -0.00027   0.00050   0.00029   2.12286
   A284       2.11538   0.00000  -0.00032   0.00200   0.00171   2.11709
   A285       2.04212  -0.00001   0.00040  -0.00256  -0.00226   2.03986
   A286       2.69214  -0.00002   0.00599   0.00366   0.00964   2.70178
   A287       1.66797   0.00001  -0.00527  -0.00182  -0.00709   1.66088
   A288       1.92618  -0.00001   0.00038  -0.00181  -0.00132   1.92486
   A289       1.91638   0.00000   0.00001   0.00045   0.00048   1.91687
   A290       1.91206   0.00000  -0.00057   0.00083   0.00019   1.91224
   A291       1.89101  -0.00002   0.00085   0.00093   0.00176   1.89276
   A292       1.91181   0.00001  -0.00060  -0.00095  -0.00157   1.91023
   A293       1.90618   0.00002  -0.00006   0.00058   0.00049   1.90667
   A294       1.35795  -0.00001  -0.00333   0.01056   0.00725   1.36519
   A295       1.14949  -0.00001   0.00291  -0.00740  -0.00450   1.14499
   A296       1.93219  -0.00001   0.00061  -0.00158  -0.00097   1.93122
   A297       1.90682   0.00000  -0.00020   0.00075   0.00057   1.90739
   A298       1.90262   0.00000  -0.00034   0.00098   0.00058   1.90320
   A299       1.90952   0.00001  -0.00023   0.00030   0.00007   1.90958
   A300       1.89769   0.00001   0.00043  -0.00028   0.00016   1.89786
   A301       1.91493  -0.00001  -0.00028  -0.00017  -0.00042   1.91451
   A302       1.67658  -0.00016  -0.01114  -0.04962  -0.06125   1.61533
   A303       1.79287  -0.00003   0.00907  -0.00153   0.00802   1.80090
   A304       2.19059  -0.00012   0.00047   0.00083   0.00235   2.19294
   A305       2.12976   0.00005  -0.00012   0.00108   0.00037   2.13013
   A306       1.96254   0.00006  -0.00036  -0.00220  -0.00311   1.95943
   A307       2.12430   0.00009   0.00096   0.00663   0.00761   2.13191
   A308       2.12390  -0.00007  -0.00024  -0.00266  -0.00335   2.12055
   A309       2.03336  -0.00002  -0.00088  -0.00629  -0.00772   2.02564
   A310       1.29814   0.00005   0.00265   0.04218   0.04465   1.34279
   A311       3.06102  -0.00005  -0.00228  -0.03415  -0.03655   3.02447
   A312       1.90935   0.00003  -0.00050   0.01348   0.01233   1.92168
   A313       1.92718  -0.00001  -0.00305   0.01029   0.00840   1.93558
   A314       1.90029   0.00012   0.00043   0.00824   0.00856   1.90886
   A315       1.91199  -0.00001   0.00045  -0.01560  -0.01556   1.89644
   A316       1.91303  -0.00002   0.00069  -0.00307  -0.00233   1.91070
   A317       1.90189  -0.00011   0.00201  -0.01336  -0.01173   1.89017
   A318       1.76812  -0.00001   0.00669   0.02560   0.03247   1.80059
   A319       1.91584  -0.00001   0.00032   0.00013   0.00051   1.91636
   A320       1.91497  -0.00005   0.00018   0.00074   0.00096   1.91593
   A321       1.92165   0.00001  -0.00009  -0.00227  -0.00228   1.91937
   A322       1.90678  -0.00002   0.00024  -0.00036  -0.00026   1.90652
   A323       1.90995   0.00002  -0.00014   0.00067   0.00050   1.91045
   A324       1.89443   0.00005  -0.00051   0.00111   0.00058   1.89501
   A325       2.94020   0.00003  -0.00207  -0.00209  -0.00421   2.93599
   A326       3.35671  -0.00003   0.00086  -0.01383  -0.01298   3.34373
   A327       3.07573  -0.00004   0.00058  -0.01416  -0.01361   3.06211
   A328       3.19618  -0.00005   0.00466  -0.01407  -0.00938   3.18680
   A329       3.26005   0.00000   0.00102   0.01560   0.01661   3.27666
   A330       3.26746   0.00000  -0.00357   0.01087   0.00731   3.27478
   A331       3.67807   0.00001   0.00655   0.02628   0.03297   3.71104
   A332       3.21862  -0.00002   0.00006  -0.00312  -0.00306   3.21556
   A333       2.98734  -0.00002   0.00376  -0.00537  -0.00166   2.98567
   A334       2.92122  -0.00003   0.00444  -0.00629  -0.00187   2.91935
   A335       3.22761  -0.00001   0.00292   0.01045   0.01340   3.24101
   A336       3.07999  -0.00001   0.00047  -0.00263  -0.00212   3.07787
   A337       3.10221  -0.00001   0.00189  -0.00295  -0.00106   3.10115
   A338       3.04105   0.00004  -0.00006   0.00241   0.00238   3.04343
    D1        2.75689   0.00000   0.00009   0.00379   0.00387   2.76077
    D2       -1.36388   0.00000  -0.00136   0.00448   0.00310  -1.36077
    D3        2.78303  -0.00001   0.00021  -0.00533  -0.00512   2.77791
    D4       -1.33774   0.00000  -0.00123  -0.00464  -0.00590  -1.34364
    D5        1.66178   0.00000   0.00067   0.00552   0.00614   1.66792
    D6       -2.45899   0.00000  -0.00078   0.00621   0.00537  -2.45362
    D7        1.84348  -0.00003  -0.00004   0.01025   0.01016   1.85364
    D8       -2.27729  -0.00002  -0.00149   0.01094   0.00939  -2.26790
    D9        0.32327   0.00002  -0.00190   0.00140  -0.00048   0.32279
   D10        2.48569   0.00003  -0.00334   0.00209  -0.00125   2.48444
   D11        0.03436   0.00001  -0.00046  -0.00173  -0.00219   0.03217
   D12        2.19678   0.00002  -0.00191  -0.00105  -0.00296   2.19382
   D13       -0.43559   0.00000   0.00015  -0.00221  -0.00206  -0.43765
   D14        1.72683   0.00001  -0.00130  -0.00152  -0.00283   1.72399
   D15       -0.55749  -0.00001   0.00012  -0.00583  -0.00570  -0.56319
   D16        1.60492   0.00000  -0.00133  -0.00514  -0.00647   1.59845
   D17        0.21130   0.00000   0.00042  -0.00318  -0.00274   0.20857
   D18        2.37372   0.00001  -0.00103  -0.00250  -0.00351   2.37021
   D19        0.14519  -0.00001   0.00110  -0.00410  -0.00295   0.14224
   D20        2.30760   0.00000  -0.00034  -0.00341  -0.00372   2.30388
   D21        2.40199   0.00000  -0.00170   0.00737   0.00563   2.40762
   D22       -1.71878   0.00001  -0.00315   0.00806   0.00486  -1.71393
   D23        2.15618   0.00000  -0.00229   0.00802   0.00569   2.16187
   D24       -1.96459   0.00001  -0.00373   0.00871   0.00492  -1.95967
   D25        1.71616   0.00001  -0.00237   0.00822   0.00577   1.72193
   D26       -2.40461   0.00001  -0.00381   0.00891   0.00500  -2.39961
   D27        1.40972   0.00004  -0.00258   0.00902   0.00638   1.41610
   D28       -2.71105   0.00004  -0.00403   0.00971   0.00561  -2.70544
   D29        2.36085   0.00000  -0.00348   0.00755   0.00404   2.36489
   D30       -1.75992   0.00000  -0.00493   0.00824   0.00327  -1.75665
   D31       -1.76724   0.00003  -0.00261   0.00491   0.00233  -1.76491
   D32        0.39518   0.00004  -0.00405   0.00560   0.00156   0.39674
   D33       -2.11463   0.00001  -0.00256  -0.00039  -0.00277  -2.11740
   D34        0.04779   0.00002  -0.00401   0.00029  -0.00354   0.04424
   D35       -2.48848   0.00000  -0.00334  -0.00013  -0.00338  -2.49186
   D36       -0.32606   0.00001  -0.00479   0.00056  -0.00415  -0.33021
   D37       -2.77603   0.00002  -0.00334   0.00219  -0.00107  -2.77711
   D38       -0.61362   0.00003  -0.00479   0.00288  -0.00185  -0.61546
   D39       -2.13931   0.00000  -0.00142   0.00210   0.00076  -2.13855
   D40        0.02311   0.00001  -0.00287   0.00279  -0.00001   0.02310
   D41       -2.38674  -0.00002   0.00197   0.02140   0.02328  -2.36345
   D42       -0.22432  -0.00001   0.00052   0.02209   0.02251  -0.20181
   D43        1.25894  -0.00001   0.00048   0.01197   0.01246   1.27140
   D44       -1.93087  -0.00001  -0.00386   0.01425   0.01039  -1.92048
   D45        2.45346   0.00000   0.00063   0.01591   0.01649   2.46995
   D46       -0.73635   0.00000  -0.00371   0.01819   0.01442  -0.72193
   D47        2.93943  -0.00002   0.00007   0.01932   0.01934   2.95877
   D48       -0.25038  -0.00002  -0.00427   0.02160   0.01727  -0.23311
   D49        2.86329  -0.00005  -0.00254   0.00375   0.00120   2.86449
   D50       -0.32652  -0.00005  -0.00688   0.00603  -0.00087  -0.32739
   D51        2.04975  -0.00003  -0.00157  -0.00015  -0.00167   2.04808
   D52       -1.14006  -0.00003  -0.00591   0.00213  -0.00374  -1.14380
   D53        1.15767   0.00001   0.00085   0.00056   0.00153   1.15921
   D54       -2.03214   0.00001  -0.00349   0.00284  -0.00054  -2.03267
   D55        1.01466   0.00000   0.00086  -0.00134  -0.00039   1.01427
   D56       -2.17515   0.00000  -0.00348   0.00094  -0.00246  -2.17761
   D57        2.01896  -0.00003   0.00021   0.00266   0.00292   2.02189
   D58       -1.17085  -0.00003  -0.00413   0.00494   0.00085  -1.16999
   D59        1.82433  -0.00003   0.00089   0.00364   0.00459   1.82891
   D60       -1.36548  -0.00003  -0.00345   0.00591   0.00252  -1.36297
   D61       -2.27919   0.00000  -0.00135   0.01619   0.01481  -2.26439
   D62        0.81418   0.00000  -0.00569   0.01847   0.01273   0.82692
   D63       -2.41715  -0.00001  -0.00159   0.01503   0.01343  -2.40372
   D64        0.67622  -0.00001  -0.00593   0.01731   0.01136   0.68758
   D65       -2.82007   0.00000  -0.00214   0.01499   0.01283  -2.80724
   D66        0.27331   0.00000  -0.00648   0.01727   0.01076   0.28407
   D67       -2.99943   0.00001  -0.00157   0.01516   0.01357  -2.98586
   D68        0.09395   0.00001  -0.00591   0.01744   0.01150   0.10545
   D69       -2.14347  -0.00002  -0.00171   0.01343   0.01173  -2.13173
   D70        0.94991  -0.00002  -0.00605   0.01571   0.00966   0.95957
   D71       -0.17207   0.00000  -0.00193   0.02658   0.02443  -0.14764
   D72        2.92130   0.00000  -0.00627   0.02886   0.02236   2.94366
   D73       -0.56779   0.00000  -0.00235   0.02122   0.01896  -0.54882
   D74        2.52559   0.00000  -0.00669   0.02350   0.01689   2.54248
   D75       -0.73625  -0.00002  -0.00377   0.01433   0.01059  -0.72566
   D76        2.35712  -0.00002  -0.00811   0.01661   0.00852   2.36565
   D77       -1.07484   0.00001  -0.00383   0.01687   0.01308  -1.06175
   D78        2.01854   0.00001  -0.00817   0.01915   0.01101   2.02955
   D79       -0.85154  -0.00001  -0.00103   0.02865   0.02751  -0.82403
   D80        2.24184  -0.00001  -0.00537   0.03093   0.02544   2.26727
   D81       -1.15542  -0.00002  -0.00003   0.03471   0.03492  -1.12049
   D82        1.93796  -0.00002  -0.00437   0.03699   0.03285   1.97081
   D83       -1.53411  -0.00001   0.00229  -0.00279  -0.00050  -1.53461
   D84       -2.61086   0.00003   0.00172   0.00255   0.00424  -2.60662
   D85       -2.94641  -0.00006   0.00200  -0.00509  -0.00308  -2.94949
   D86        0.73604   0.00001  -0.00003  -0.00392  -0.00393   0.73211
   D87        0.31229   0.00000   0.00026  -0.00599  -0.00573   0.30656
   D88       -0.06069  -0.00001   0.00000  -0.00684  -0.00690  -0.06758
   D89       -0.39916  -0.00004   0.00048  -0.00993  -0.00950  -0.40866
   D90        0.18185  -0.00001   0.00105  -0.00753  -0.00643   0.17541
   D91       -0.05594  -0.00001   0.00129  -0.00779  -0.00646  -0.06240
   D92        2.40485  -0.00001  -0.00019  -0.00024  -0.00044   2.40441
   D93        2.05482  -0.00001  -0.00020  -0.00007  -0.00028   2.05455
   D94        1.66178   0.00000  -0.00067  -0.00011  -0.00082   1.66095
   D95        1.37299   0.00003  -0.00077   0.00077  -0.00001   1.37297
   D96        2.05480   0.00000  -0.00042  -0.00015  -0.00057   2.05423
   D97       -1.91463   0.00003  -0.00206   0.00397   0.00187  -1.91276
   D98       -2.44668   0.00002  -0.00243   0.00675   0.00450  -2.44217
   D99       -2.65937   0.00000  -0.00270   0.00139  -0.00121  -2.66058
   D100      -2.98668   0.00004  -0.00256   0.00683   0.00431  -2.98237
   D101      -2.91426   0.00002  -0.00100   0.03355   0.03173  -2.88253
   D102       2.84242  -0.00002  -0.00111   0.03453   0.03421   2.87663
   D103      -2.90966  -0.00002   0.00388  -0.00706  -0.00316  -2.91282
   D104       1.18814  -0.00002   0.00374  -0.00595  -0.00219   1.18596
   D105       2.80206  -0.00001   0.00415  -0.00490  -0.00070   2.80136
   D106       0.61668  -0.00001   0.00401  -0.00378   0.00028   0.61696
   D107       2.30286   0.00005   0.00497   0.00137   0.00639   2.30925
   D108       0.11748   0.00005   0.00483   0.00249   0.00736   0.12484
   D109       1.74543  -0.00005   0.00402   0.00497   0.00902   1.75445
   D110      -0.43995  -0.00005   0.00388   0.00608   0.01000  -0.42995
   D111       2.58435   0.00001   0.00287  -0.00757  -0.00461   2.57974
   D112       0.39897   0.00001   0.00273  -0.00645  -0.00363   0.39534
   D113       2.24810   0.00003   0.00307  -0.00963  -0.00644   2.24165
   D114       0.06271   0.00003   0.00293  -0.00852  -0.00546   0.05725
   D115      -1.61127   0.00000   0.00079  -0.00144  -0.00067  -1.61194
   D116       2.48654   0.00000   0.00065  -0.00033   0.00030   2.48684
   D117      -1.77305  -0.00001   0.00121   0.00284   0.00404  -1.76901
   D118       2.32475  -0.00001   0.00108   0.00396   0.00502   2.32977
   D119      -2.73495   0.00001   0.00026  -0.00003   0.00022  -2.73473
   D120       1.36286   0.00001   0.00012   0.00109   0.00120   1.36405
   D121      -2.69934   0.00001   0.00022  -0.00061  -0.00042  -2.69976
   D122       1.39846   0.00001   0.00008   0.00051   0.00056   1.39903
   D123       1.32311   0.00000   0.00356  -0.01023  -0.00663   1.31649
   D124      -0.86227   0.00000   0.00342  -0.00912  -0.00565  -0.86792
   D125       1.29445   0.00000   0.00407  -0.00930  -0.00521   1.28924
   D126      -0.89093   0.00000   0.00393  -0.00818  -0.00423  -0.89516
   D127       1.65076   0.00000   0.00474  -0.00965  -0.00488   1.64588
   D128      -0.53462   0.00000   0.00460  -0.00854  -0.00391  -0.53852
   D129       1.77890  -0.00002   0.00374  -0.01121  -0.00741   1.77149
   D130      -0.40648  -0.00002   0.00360  -0.01010  -0.00643  -0.41292
   D131       0.89495   0.00000   0.00416  -0.00786  -0.00370   0.89125
   D132      -1.29044   0.00000   0.00402  -0.00675  -0.00272  -1.29316
   D133      -0.95116   0.00001   0.00427  -0.02354  -0.01916  -0.97032
   D134      -3.13654   0.00001   0.00413  -0.02243  -0.01818   3.12847
   D135      -0.52454   0.00000   0.00480  -0.01520  -0.01062  -0.53516
   D136      -2.70992   0.00000   0.00466  -0.01408  -0.00964  -2.71956
   D137      -0.22841   0.00002   0.00625  -0.00947  -0.00330  -0.23170
   D138      -2.41379   0.00002   0.00611  -0.00836  -0.00232  -2.41611
   D139       0.17858  -0.00002   0.00577  -0.00875  -0.00304   0.17554
   D140      -2.00680  -0.00002   0.00563  -0.00763  -0.00206  -2.00886
   D141      -0.30647   0.00000   0.00375  -0.01757  -0.01388  -0.32035
   D142      -2.49185   0.00001   0.00361  -0.01645  -0.01290  -2.50475
   D143      -0.05342   0.00001   0.00207  -0.02480  -0.02289  -0.07631
   D144      -2.23880   0.00001   0.00193  -0.02368  -0.02191  -2.26071
   D145      -2.47704   0.00000   0.00035  -0.00838  -0.00801  -2.48505
   D146      -2.72829   0.00002   0.00048  -0.00353  -0.00304  -2.73133
   D147      -2.40753  -0.00002   0.00006  -0.00095  -0.00098  -2.40851
   D148       2.99898   0.00002   0.00133  -0.00687  -0.00543   2.99356
   D149       2.61544   0.00003   0.00232  -0.00720  -0.00466   2.61078
   D150       1.51815  -0.00001  -0.00037  -0.00727  -0.00766   1.51049
   D151       2.61922   0.00001  -0.00026  -0.00605  -0.00634   2.61289
   D152       2.99268   0.00002  -0.00037  -0.00563  -0.00601   2.98666
   D153       1.17877   0.00000   0.00403  -0.02305  -0.01898   1.15979
   D154       1.24399   0.00000   0.00330  -0.01721  -0.01389   1.23010
   D155       1.63665  -0.00001   0.00354  -0.01486  -0.01131   1.62534
   D156       1.71584  -0.00002   0.00191  -0.01418  -0.01227   1.70358
   D157       0.89570   0.00000   0.00269  -0.01409  -0.01139   0.88431
   D158      -0.99296   0.00002   0.00236  -0.03171  -0.02909  -1.02206
   D159      -0.66924   0.00000   0.00254  -0.02667  -0.02426  -0.69350
   D160      -0.70838   0.00001   0.00329  -0.01982  -0.01656  -0.72495
   D161      -0.39754  -0.00004   0.00386  -0.02498  -0.02123  -0.41877
   D162      -0.28896   0.00001   0.00162  -0.03092  -0.02932  -0.31828
   D163      -0.00971   0.00003   0.00165  -0.03057  -0.02910  -0.03881
   D164      -1.28741  -0.00001   0.00304  -0.00744  -0.00437  -1.29177
   D165       1.66147  -0.00001   0.00221  -0.00416  -0.00192   1.65955
   D166      -1.65881   0.00001   0.00283  -0.00366  -0.00079  -1.65960
   D167       1.29007   0.00001   0.00200  -0.00038   0.00166   1.29172
   D168      -1.73761   0.00003   0.00299   0.00080   0.00378  -1.73383
   D169       1.21127   0.00003   0.00216   0.00408   0.00623   1.21750
   D170      -1.99385  -0.00005   0.00378  -0.00310   0.00070  -1.99315
   D171       0.95503  -0.00004   0.00294   0.00018   0.00315   0.95817
   D172      -2.00848   0.00002   0.00276  -0.00556  -0.00270  -2.01118
   D173       0.94039   0.00002   0.00192  -0.00228  -0.00025   0.94014
   D174      -2.31063   0.00002   0.00304  -0.00377  -0.00059  -2.31122
   D175       0.63825   0.00002   0.00220  -0.00049   0.00186   0.64010
   D176       1.97956   0.00001   0.00060  -0.00272  -0.00212   1.97744
   D177      -1.35475   0.00001  -0.00024   0.00056   0.00033  -1.35442
   D178       0.83361   0.00001   0.00124  -0.00300  -0.00178   0.83183
   D179      -2.50070   0.00001   0.00040   0.00028   0.00067  -2.50003
   D180       0.36955  -0.00003   0.00171  -0.00085   0.00084   0.37039
   D181      -2.96476  -0.00003   0.00087   0.00243   0.00329  -2.96147
   D182      -3.10918   0.00000   0.00383  -0.00817  -0.00430  -3.11348
   D183      -0.16030   0.00000   0.00299  -0.00489  -0.00185  -0.16216
   D184       2.90963  -0.00001   0.00423  -0.00830  -0.00407   2.90557
   D185      -0.42468  -0.00001   0.00339  -0.00502  -0.00162  -0.42629
   D186       3.06500  -0.00002   0.00433  -0.00679  -0.00249   3.06251
   D187      -0.26931  -0.00002   0.00350  -0.00351  -0.00004  -0.26935
   D188       2.97463  -0.00001   0.00260  -0.00651  -0.00393   2.97070
   D189      -0.35968  -0.00001   0.00176  -0.00323  -0.00148  -0.36116
   D190       2.46373  -0.00001   0.00428  -0.00921  -0.00493   2.45880
   D191      -0.87058  -0.00001   0.00344  -0.00593  -0.00248  -0.87306
   D192       0.33170   0.00002   0.00307  -0.02950  -0.02613   0.30557
   D193      -3.00261   0.00003   0.00223  -0.02622  -0.02369  -3.02629
   D194       0.63977   0.00000   0.00445  -0.03072  -0.02651   0.61326
   D195      -2.69454   0.00000   0.00361  -0.02744  -0.02406  -2.71860
   D196       0.43703   0.00001   0.00652  -0.03202  -0.02554   0.41150
   D197      -2.89728   0.00001   0.00569  -0.02874  -0.02309  -2.92037
   D198       1.10596   0.00000   0.00389  -0.03092  -0.02720   1.07876
   D199      -2.22835   0.00000   0.00306  -0.02765  -0.02475  -2.25310
   D200       1.43893   0.00002   0.00320  -0.03334  -0.03033   1.40861
   D201      -1.89537   0.00002   0.00236  -0.03006  -0.02788  -1.92326
   D202       1.61613   0.00000   0.00459  -0.00278   0.00181   1.61794
   D203      -0.59831   0.00001   0.00337  -0.00262   0.00075  -0.59755
   D204       1.68790  -0.00002   0.00407  -0.00287   0.00121   1.68911
   D205      -0.52654  -0.00001   0.00286  -0.00271   0.00016  -0.52639
   D206       1.36735   0.00002   0.00332   0.00180   0.00508   1.37243
   D207      -0.84710   0.00003   0.00210   0.00196   0.00403  -0.84307
   D208       1.20076   0.00000   0.00288   0.01248   0.01532   1.21609
   D209      -1.01368   0.00000   0.00167   0.01264   0.01427  -0.99941
   D210       2.11892  -0.00002   0.00347  -0.00337   0.00008   2.11900
   D211      -0.09552  -0.00001   0.00226  -0.00321  -0.00098  -0.09650
   D212       2.23582   0.00000   0.00306  -0.00741  -0.00440   2.23141
   D213       0.02138   0.00001   0.00185  -0.00725  -0.00546   0.01592
   D214      -2.22541   0.00001   0.00361   0.00121   0.00482  -2.22059
   D215       1.84334   0.00002   0.00239   0.00137   0.00376   1.84710
   D216      -2.39050   0.00001   0.00240   0.00466   0.00705  -2.38345
   D217       1.67824   0.00001   0.00118   0.00482   0.00599   1.68424
   D218      -1.99940   0.00000   0.00068   0.01182   0.01247  -1.98693
   D219       2.06934   0.00001  -0.00053   0.01198   0.01141   2.08075
   D220      -2.10789  -0.00002  -0.00243   0.03673   0.03449  -2.07340
   D221       1.96085  -0.00001  -0.00365   0.03689   0.03344   1.99429
   D222      -2.88485   0.00000   0.00254   0.00141   0.00392  -2.88093
   D223       1.18389   0.00000   0.00132   0.00157   0.00286   1.18676
   D224       3.06201  -0.00001   0.00256  -0.00172   0.00076   3.06277
   D225       0.84757  -0.00001   0.00134  -0.00156  -0.00030   0.84727
   D226      -2.71408   0.00002   0.00169  -0.00065   0.00111  -2.71297
   D227       1.35466   0.00003   0.00048  -0.00049   0.00005   1.35472
   D228      -2.66106   0.00002   0.00368   0.00042   0.00412  -2.65694
   D229       1.40769   0.00002   0.00246   0.00058   0.00306   1.41075
   D230      -1.56723   0.00000   0.00279  -0.00270   0.00011  -1.56712
   D231       2.50151   0.00000   0.00157  -0.00254  -0.00094   2.50057
   D232      -0.06337  -0.00004   0.00398   0.02308   0.02682  -0.03655
   D233      -2.27781  -0.00003   0.00277   0.02323   0.02576  -2.25205
   D234      -0.19752  -0.00001   0.00344   0.01839   0.02186  -0.17566
   D235      -2.41196   0.00000   0.00222   0.01855   0.02080  -2.39116
   D236       0.08293  -0.00001   0.00266   0.01057   0.01320   0.09612
   D237      -2.13152   0.00000   0.00144   0.01073   0.01214  -2.11938
   D238      -0.02129   0.00003   0.00241   0.01469   0.01711  -0.00417
   D239      -2.23573   0.00004   0.00119   0.01485   0.01606  -2.21967
   D240      -0.59094  -0.00002   0.00398   0.02005   0.02405  -0.56689
   D241      -2.80539  -0.00001   0.00276   0.02021   0.02300  -2.78239
   D242      -0.77975  -0.00003   0.00235   0.01261   0.01512  -0.76463
   D243      -2.99419  -0.00002   0.00113   0.01277   0.01406  -2.98013
   D244      -2.92917  -0.00001   0.00073  -0.01335  -0.01263  -2.94180
   D245      -0.00942  -0.00001   0.00058  -0.00552  -0.00495  -0.01437
   D246      -3.11882  -0.00001  -0.00011  -0.01150  -0.01162  -3.13044
   D247      -0.19907  -0.00002  -0.00026  -0.00367  -0.00394  -0.20301
   D248       2.77982   0.00004  -0.00055  -0.00682  -0.00742   2.77241
   D249      -0.58362   0.00003  -0.00070   0.00101   0.00026  -0.58335
   D250       2.54224  -0.00001  -0.00079  -0.00159  -0.00240   2.53984
   D251      -0.82121  -0.00002  -0.00094   0.00624   0.00528  -0.81592
   D252      -2.89052   0.00000  -0.00139  -0.01157  -0.01300  -2.90353
   D253       0.02922   0.00000  -0.00154  -0.00375  -0.00532   0.02389
   D254      -3.06494   0.00004  -0.00188  -0.01479  -0.01667  -3.08161
   D255      -0.14519   0.00003  -0.00203  -0.00696  -0.00899  -0.15419
   D256      -0.64881   0.00001  -0.00028  -0.00941  -0.00972  -0.65853
   D257       2.27093   0.00001  -0.00043  -0.00158  -0.00204   2.26889
   D258      -0.89580   0.00001  -0.00148  -0.00669  -0.00821  -0.90401
   D259       2.02395   0.00001  -0.00163   0.00114  -0.00054   2.02341
   D260      -0.73211   0.00001  -0.00299  -0.00393  -0.00698  -0.73909
   D261       2.18764   0.00001  -0.00314   0.00390   0.00070   2.18834
   D262      -0.93571  -0.00001  -0.00371   0.00134  -0.00240  -0.93811
   D263       1.98403  -0.00001  -0.00386   0.00917   0.00528   1.98931
   D264      -1.30390   0.00000  -0.00163  -0.00677  -0.00848  -1.31238
   D265       1.61584   0.00000  -0.00178   0.00106  -0.00080   1.61504
   D266      -1.54331   0.00000  -0.00231  -0.00702  -0.00942  -1.55273
   D267       1.37643  -0.00001  -0.00246   0.00081  -0.00174   1.37469
   D268       1.97974   0.00002  -0.00213  -0.00959  -0.01169   1.96804
   D269      -1.38371   0.00001  -0.00228  -0.00176  -0.00401  -1.38772
   D270       0.85930   0.00000  -0.00125  -0.01110  -0.01234   0.84696
   D271      -2.50414   0.00000  -0.00140  -0.00327  -0.00466  -2.50880
   D272       0.98023  -0.00009   0.00223   0.02087   0.02355   1.00378
   D273      -2.38321  -0.00010   0.00208   0.02870   0.03123  -2.35198
   D274       1.14036  -0.00002   0.00050   0.01333   0.01384   1.15421
   D275      -2.22308  -0.00002   0.00035   0.02116   0.02152  -2.20155
   D276       1.59631  -0.00001  -0.00058   0.00392   0.00318   1.59949
   D277      -1.76713  -0.00002  -0.00073   0.01175   0.01086  -1.75627
   D278       1.57920   0.00002  -0.00098   0.00450   0.00345   1.58265
   D279      -1.78424   0.00002  -0.00113   0.01233   0.01113  -1.77311
   D280       0.82431  -0.00001   0.00000   0.00672   0.00680   0.83111
   D281      -2.53913  -0.00002  -0.00015   0.01455   0.01448  -2.52465
   D282       0.79769  -0.00002  -0.00275  -0.00659  -0.00929   0.78840
   D283      -2.56575  -0.00002  -0.00290   0.00124  -0.00161  -2.56736
   D284       1.58549   0.00001   0.00488  -0.00437   0.00053   1.58602
   D285      -2.63182   0.00001   0.00522  -0.00757  -0.00234  -2.63415
   D286       1.64577  -0.00002   0.00354  -0.00427  -0.00069   1.64508
   D287      -2.57154  -0.00002   0.00389  -0.00747  -0.00355  -2.57509
   D288       1.33460   0.00002   0.00252  -0.00030   0.00223   1.33683
   D289      -2.88271   0.00002   0.00287  -0.00351  -0.00064  -2.88334
   D290       1.24347   0.00001   0.00192   0.00754   0.00943   1.25291
   D291      -2.97384   0.00001   0.00226   0.00433   0.00657  -2.96727
   D292       2.04100  -0.00001   0.00247  -0.00459  -0.00210   2.03890
   D293      -2.17631  -0.00001   0.00282  -0.00779  -0.00497  -2.18127
   D294       2.02196   0.00002   0.00213  -0.00786  -0.00571   2.01624
   D295      -2.19535   0.00002   0.00248  -0.01107  -0.00858  -2.20393
   D296      -2.29696   0.00000   0.00303   0.00159   0.00461  -2.29235
   D297      -0.23108   0.00001   0.00338  -0.00162   0.00175  -0.22934
   D298      -2.27116   0.00000   0.00166   0.00457   0.00622  -2.26495
   D299      -0.20529   0.00001   0.00200   0.00136   0.00335  -0.20194
   D300      -1.88292   0.00000   0.00102   0.00551   0.00652  -1.87639
   D301       0.18296   0.00001   0.00137   0.00231   0.00366   0.18662
   D302      -1.82088   0.00001   0.00033   0.01212   0.01240  -1.80848
   D303       0.24499   0.00001   0.00068   0.00891   0.00954   0.25453
   D304      -2.61673   0.00000   0.00069   0.00571   0.00638  -2.61035
   D305      -0.55085   0.00001   0.00104   0.00250   0.00352  -0.54734
   D306      -2.74188   0.00000  -0.00045   0.00646   0.00598  -2.73590
   D307      -0.67600   0.00001  -0.00010   0.00326   0.00311  -0.67289
   D308       1.52239   0.00000   0.00213  -0.00409  -0.00190   1.52048
   D309      -2.69492   0.00000   0.00248  -0.00730  -0.00477  -2.69969
   D310       2.62291   0.00001   0.00202  -0.00357  -0.00144   2.62147
   D311      -1.59440   0.00001   0.00237  -0.00678  -0.00430  -1.59871
   D312       3.00492  -0.00002   0.00344  -0.00246   0.00103   3.00595
   D313      -1.21239  -0.00001   0.00378  -0.00566  -0.00183  -1.21422
   D314      -0.45645  -0.00004   0.00376   0.01160   0.01531  -0.44115
   D315       1.60942  -0.00004   0.00411   0.00839   0.01244   1.62187
   D316      -0.30151  -0.00001   0.00340   0.01390   0.01726  -0.28425
   D317       1.76436  -0.00001   0.00375   0.01069   0.01439   1.77876
   D318       0.12446   0.00000   0.00329   0.00952   0.01274   0.13719
   D319       2.19033   0.00000   0.00364   0.00631   0.00987   2.20020
   D320       0.25671   0.00001   0.00323   0.01038   0.01355   0.27025
   D321       2.32258   0.00001   0.00358   0.00717   0.01068   2.33326
   D322      -0.55309  -0.00001   0.00328   0.01432   0.01755  -0.53554
   D323       1.51279  -0.00001   0.00363   0.01111   0.01469   1.52748
   D324      -0.59379  -0.00002   0.00028   0.00305   0.00341  -0.59038
   D325       1.47209  -0.00002   0.00063  -0.00016   0.00055   1.47263
   D326       0.08327   0.00001   0.00217   0.02151   0.02365   0.10691
   D327       2.26141   0.00000   0.00086   0.00491   0.00582   2.26723
   D328       0.39091   0.00001   0.00300   0.01797   0.02100   0.41192
   D329       2.56905   0.00000   0.00169   0.00137   0.00318   2.57224
   D330       0.75626  -0.00003   0.00286   0.01371   0.01670   0.77297
   D331       2.93440  -0.00004   0.00156  -0.00288  -0.00112   2.93328
   D332       1.03525   0.00003   0.00261   0.01174   0.01432   1.04957
   D333      -3.06980   0.00002   0.00130  -0.00486  -0.00350  -3.07330
   D334       0.33281  -0.00002   0.00501   0.01637   0.02141   0.35422
   D335       2.51095  -0.00003   0.00370  -0.00023   0.00359   2.51454
   D336       0.72455  -0.00005   0.00501   0.00714   0.01259   0.73715
   D337       2.90269  -0.00006   0.00370  -0.00946  -0.00523   2.89747
   D338      -2.33255  -0.00001   0.00312   0.02496   0.02807  -2.30448
   D339      -0.15441  -0.00002   0.00181   0.00837   0.01025  -0.14416
   D340      -1.95451  -0.00001   0.00368   0.02236   0.02597  -1.92854
   D341       0.22363  -0.00002   0.00237   0.00576   0.00815   0.23177
   D342      -1.90836   0.00000   0.00479   0.01198   0.01681  -1.89154
   D343       0.26978  -0.00001   0.00349  -0.00462  -0.00101   0.26877
   D344      -1.61108   0.00004   0.00462   0.00653   0.01106  -1.60002
   D345       0.56706   0.00003   0.00331  -0.01006  -0.00676   0.56029
   D346      -1.58307   0.00000   0.00359   0.02789   0.03125  -1.55181
   D347       0.59507  -0.00001   0.00228   0.01130   0.01343   0.60851
   D348      -1.28191   0.00000   0.00425   0.02562   0.02962  -1.25229
   D349       0.89623  -0.00001   0.00294   0.00902   0.01180   0.90803
   D350       1.84654   0.00003   0.00304   0.00571   0.00885   1.85539
   D351      -2.25850   0.00002   0.00173  -0.01089  -0.00897  -2.26747
   D352       2.27751   0.00005   0.00210   0.00362   0.00567   2.28318
   D353      -1.82754   0.00004   0.00079  -0.01297  -0.01215  -1.83969
   D354       2.51886   0.00009   0.00043  -0.00884  -0.00893   2.50994
   D355      -1.58618   0.00008  -0.00088  -0.02544  -0.02675  -1.61293
   D356      -3.12981   0.00001   0.00210   0.01044   0.01228  -3.11754
   D357      -0.95167   0.00000   0.00079  -0.00616  -0.00555  -0.95722
   D358       2.60298   0.00002   0.00290   0.01378   0.01659   2.61957
   D359      -1.50207   0.00001   0.00159  -0.00282  -0.00123  -1.50330
   D360       1.62745  -0.00002   0.00530   0.02605   0.03090   1.65835
   D361      -2.47760  -0.00003   0.00399   0.00945   0.01308  -2.46451
   D362       1.80250  -0.00005   0.00476   0.01468   0.01921   1.82170
   D363      -2.30255  -0.00006   0.00345  -0.00191   0.00138  -2.30117
   D364       2.74541  -0.00002   0.00370   0.01027   0.01391   2.75932
   D365      -1.35964  -0.00003   0.00239  -0.00632  -0.00391  -1.36355
   D366       2.73780   0.00000   0.00652   0.02403   0.03056   2.76835
   D367      -1.36725  -0.00001   0.00521   0.00743   0.01273  -1.35451
   D368       0.05866   0.00000   0.00010  -0.01096  -0.01093   0.04772
   D369      -2.53585   0.00002  -0.02622   0.04485   0.01858  -2.51726
   D370       0.45841  -0.00002   0.00036  -0.01363  -0.01333   0.44509
   D371      -2.13609   0.00001  -0.02596   0.04219   0.01619  -2.11990
   D372       0.66957  -0.00005  -0.00089  -0.01538  -0.01628   0.65328
   D373      -1.92493  -0.00003  -0.02720   0.04043   0.01323  -1.91170
   D374       0.93929   0.00002  -0.00164  -0.01163  -0.01335   0.92595
   D375      -1.65521   0.00004  -0.02795   0.04418   0.01617  -1.63904
   D376       0.70218  -0.00003   0.00208  -0.01466  -0.01269   0.68949
   D377      -1.89232  -0.00001  -0.02423   0.04115   0.01683  -1.87550
   D378       1.04133  -0.00004   0.00152  -0.01687  -0.01541   1.02592
   D379      -1.55317  -0.00002  -0.02480   0.03895   0.01410  -1.53907
   D380      -2.75880  -0.00003  -0.00110  -0.01017  -0.01126  -2.77006
   D381       0.92988  -0.00001  -0.02742   0.04565   0.01826   0.94814
   D382      -2.20437  -0.00003  -0.00156  -0.00380  -0.00532  -2.20969
   D383       1.48431  -0.00001  -0.02788   0.05202   0.02420   1.50852
   D384      -1.96706  -0.00002   0.00089  -0.01014  -0.00925  -1.97631
   D385       1.72162   0.00000  -0.02543   0.04568   0.02027   1.74189
   D386      -1.63658   0.00000   0.00132  -0.01295  -0.01170  -1.64828
   D387       2.05210   0.00003  -0.02500   0.04287   0.01782   2.06992
   D388      -1.68650  -0.00002  -0.00232   0.01004   0.00773  -1.67877
   D389       2.00218   0.00000  -0.02863   0.06586   0.03725   2.03943
   D390      -1.10767  -0.00001   0.00288   0.00142   0.00413  -1.10354
   D391       2.58101   0.00001  -0.02344   0.05723   0.03365   2.61466
   D392       1.79310  -0.00002   0.00044  -0.01160  -0.01116   1.78194
   D393      -0.80140   0.00001  -0.02588   0.04421   0.01836  -0.78304
   D394       2.09238  -0.00001   0.00008  -0.01426  -0.01416   2.07822
   D395      -0.50213   0.00001  -0.02624   0.04156   0.01536  -0.48677
   D396       2.03771   0.00000  -0.00041  -0.01967  -0.01997   2.01774
   D397      -0.55679   0.00002  -0.02672   0.03615   0.00955  -0.54724
   D398       2.23547  -0.00001   0.00098  -0.02337  -0.02227   2.21321
   D399      -0.35903   0.00001  -0.02533   0.03244   0.00725  -0.35178
   D400       2.49286  -0.00001   0.00035  -0.01222  -0.01190   2.48096
   D401      -0.10164   0.00001  -0.02596   0.04359   0.01762  -0.08402
   D402      -1.53969  -0.00005   0.00222   0.00611   0.00786  -1.53183
   D403       2.14899  -0.00003  -0.02410   0.06192   0.03738   2.18637
   D404      -2.63847  -0.00002   0.00287   0.00318   0.00616  -2.63231
   D405       1.05021   0.00001  -0.02345   0.05899   0.03568   1.08589
   D406      -2.99206  -0.00003   0.00463   0.00998   0.01474  -2.97732
   D407       0.69662   0.00000  -0.02169   0.06579   0.04426   0.74088
   D408       1.92085   0.00001  -0.00567  -0.01802  -0.02383   1.89702
   D409       2.41791   0.00000  -0.00509  -0.03038  -0.03531   2.38260
   D410       2.64462  -0.00002  -0.00567  -0.02980  -0.03540   2.60922
   D411       2.87367   0.00004  -0.00621  -0.02355  -0.02991   2.84376
   D412       2.84923  -0.00002  -0.00393  -0.05264  -0.05577   2.79346
   D413      -2.94629   0.00000  -0.00539  -0.05417  -0.05922  -3.00551
   D414      -0.75307  -0.00001  -0.00474  -0.01845  -0.02322  -0.77629
   D415      -0.37261   0.00000  -0.00516  -0.01518  -0.02035  -0.39296
   D416      -0.06226   0.00000  -0.00457  -0.02223  -0.02686  -0.08911
   D417       0.24600   0.00003  -0.00483  -0.02010  -0.02515   0.22085
   D418      -0.23898   0.00000  -0.00626  -0.00420  -0.01041  -0.24939
   D419       0.07222   0.00001  -0.00610   0.00207  -0.00405   0.06817
   D420      -2.56245   0.00001  -0.00495  -0.02457  -0.02959  -2.59203
   D421      -2.18015   0.00001  -0.00524  -0.02402  -0.02939  -2.20954
   D422      -1.93889   0.00002  -0.00554  -0.02951  -0.03520  -1.97410
   D423      -1.62558  -0.00001  -0.00463  -0.02818  -0.03294  -1.65851
   D424      -1.96302   0.00001  -0.00469  -0.01708  -0.02195  -1.98497
   D425       1.31958  -0.00004  -0.00392  -0.02214  -0.02618   1.29339
   D426       2.47626   0.00000  -0.00181  -0.00950  -0.01134   2.46492
   D427       2.95052  -0.00006  -0.00171  -0.01479  -0.01671   2.93382
   D428      -3.07118  -0.00014   0.00644  -0.00013   0.00631  -3.06487
   D429       0.02527  -0.00009  -0.00218   0.00265   0.00046   0.02573
   D430       0.03863   0.00005   0.00550   0.01108   0.01661   0.05523
   D431       3.13508   0.00011  -0.00312   0.01387   0.01076  -3.13735
   D432      -0.09925   0.00010  -0.00716   0.04384   0.03667  -0.06258
   D433       2.00223   0.00006  -0.00705   0.03683   0.02979   2.03202
   D434      -2.19514   0.00011  -0.00732   0.03898   0.03162  -2.16351
   D435       3.08513   0.00005   0.00099   0.04126   0.04225   3.12738
   D436      -1.09657   0.00001   0.00110   0.03424   0.03537  -1.06121
   D437       0.98925   0.00006   0.00083   0.03639   0.03720   1.02645
   D438      -2.36740  -0.00001   0.00991  -0.00313   0.00680  -2.36061
   D439      -0.27706  -0.00001   0.01025  -0.00384   0.00638  -0.27068
   D440       1.83061  -0.00002   0.01073  -0.00339   0.00734   1.83795
   D441       0.73133   0.00004   0.00174  -0.00050   0.00125   0.73258
   D442       2.82167   0.00004   0.00208  -0.00121   0.00083   2.82251
   D443      -1.35384   0.00003   0.00256  -0.00076   0.00179  -1.35205
   D444       0.00217  -0.00002   0.00069  -0.00389  -0.00319  -0.00102
   D445       3.11506  -0.00001   0.00269  -0.00004   0.00264   3.11770
   D446      -3.11756  -0.00003   0.00093  -0.00294  -0.00200  -3.11956
   D447      -0.00467  -0.00003   0.00294   0.00090   0.00384  -0.00083
   D448       2.42618   0.00000   0.00137  -0.01434  -0.01296   2.41322
   D449      -1.77258   0.00000   0.00158  -0.01507  -0.01351  -1.78609
   D450       0.33553  -0.00001   0.00156  -0.01565  -0.01409   0.32144
   D451      -0.68806  -0.00001  -0.00053  -0.01803  -0.01853  -0.70659
   D452       1.39636  -0.00001  -0.00032  -0.01876  -0.01908   1.37729
   D453      -2.77871  -0.00002  -0.00033  -0.01934  -0.01966  -2.79837
   D454       2.06497  -0.00001  -0.00114   0.00105  -0.00009   2.06488
   D455      -2.13361   0.00000  -0.00085   0.00210   0.00126  -2.13235
   D456      -0.03985  -0.00001  -0.00090   0.00187   0.00097  -0.03888
   D457      -1.10393   0.00000   0.00076   0.00475   0.00549  -1.09844
   D458       0.98067   0.00001   0.00105   0.00580   0.00683   0.98751
   D459       3.07443   0.00000   0.00100   0.00557   0.00655   3.08098
   D460      -3.08319  -0.00008   0.00622  -0.00238   0.00383  -3.07935
   D461      -0.02870  -0.00007   0.00346  -0.00341   0.00007  -0.02863
   D462       0.07015   0.00000   0.00554  -0.00113   0.00440   0.07455
   D463       3.12464   0.00001   0.00278  -0.00216   0.00064   3.12528
   D464       1.94164   0.00002  -0.00920  -0.00390  -0.01307   1.92856
   D465      -2.25812  -0.00001  -0.00791  -0.00360  -0.01142  -2.26955
   D466      -0.16478   0.00001  -0.00833  -0.00210  -0.01040  -0.17519
   D467      -1.11634   0.00001  -0.00652  -0.00313  -0.00965  -1.12599
   D468       0.96708  -0.00002  -0.00524  -0.00283  -0.00800   0.95908
   D469       3.06042   0.00000  -0.00565  -0.00133  -0.00698   3.05344
   D470      -1.64644  -0.00001   0.00812  -0.01312  -0.00501  -1.65145
   D471       0.45756   0.00000   0.00808  -0.01326  -0.00517   0.45239
   D472       2.55003  -0.00001   0.00742  -0.01243  -0.00499   2.54504
   D473       1.41191   0.00001   0.00545  -0.01397  -0.00850   1.40341
   D474      -2.76728   0.00002   0.00542  -0.01411  -0.00865  -2.77593
   D475      -0.67480   0.00001   0.00476  -0.01327  -0.00847  -0.68328
   D476       0.00718   0.00007   0.00817   0.00446   0.01248   0.01966
   D477      -3.07084   0.00011   0.01147   0.04975   0.06141  -3.00943
   D478       3.12308  -0.00011   0.00773  -0.00835  -0.00101   3.12207
   D479       0.04507  -0.00006   0.01104   0.03694   0.04791   0.09298
   D480      -0.34902   0.00013   0.00965   0.09943   0.10922  -0.23979
   D481       1.75653   0.00013   0.00796   0.09522   0.10321   1.85975
   D482      -2.43928   0.00006   0.00886   0.09018   0.09930  -2.33998
   D483       2.73213   0.00008   0.00653   0.05647   0.06291   2.79504
   D484      -1.44551   0.00008   0.00484   0.05226   0.05690  -1.38861
   D485       0.64186   0.00001   0.00573   0.04722   0.05299   0.69485
   D486      -0.05626  -0.00001  -0.00999  -0.08343  -0.09329  -0.14955
   D487       2.03930  -0.00007  -0.00939  -0.08334  -0.09269   1.94661
   D488      -2.15993  -0.00003  -0.00997  -0.08291  -0.09279  -2.25272
   D489      -3.13742   0.00003  -0.00691  -0.04083  -0.04771   3.09805
   D490      -1.04187  -0.00003  -0.00630  -0.04074  -0.04711  -1.08897
   D491       1.04209   0.00001  -0.00688  -0.04032  -0.04721   0.99488
         Item               Value     Threshold  Converged?
 Maximum Force            0.000539     0.000450     NO 
 RMS     Force            0.000041     0.000300     YES
 Maximum Displacement     0.193326     0.001800     NO 
 RMS     Displacement     0.018547     0.001200     NO 
 Predicted change in Energy=-7.749618D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:22:52 2016, MaxMem=  2952790016 cpu:        10.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833828   -0.614493    1.683220
      2          6           0       -2.084096    1.113509   -1.353846
      3          8           0       -2.631839    0.125648   -1.875326
      4          7           0       -0.791989    1.170377   -0.934886
      5          1           0       -2.634190    2.056741   -1.162685
      6          6           0       -0.257571    2.344269   -0.245744
      7          1           0       -1.025656    3.128723   -0.201463
      8          1           0        0.040192    2.066416    0.778493
      9          1           0        0.626485    2.729941   -0.779398
     10          6           0        0.121409    0.036551   -1.093035
     11          1           0        0.682735   -0.102177   -0.156760
     12          1           0       -0.457083   -0.870289   -1.312864
     13          1           0        0.836466    0.226592   -1.910481
     14          6           0       -1.995317   -4.030474    2.605616
     15          8           0       -2.106807   -3.891493    3.835874
     16          7           0       -2.946271   -3.716486    1.683736
     17          1           0       -1.066465   -4.415916    2.139940
     18          6           0       -4.245779   -3.162901    2.072958
     19          1           0       -4.515724   -2.356852    1.371408
     20          1           0       -5.026938   -3.940452    2.034707
     21          1           0       -4.179536   -2.759174    3.091371
     22          6           0       -2.710798   -3.888939    0.249779
     23          1           0       -3.427809   -4.614105   -0.169046
     24          1           0       -2.843497   -2.924010   -0.268577
     25          1           0       -1.686195   -4.250071    0.084630
     26          6           0        1.537706    0.381431    2.629277
     27          8           0        1.360087    1.388616    3.334938
     28          7           0        1.172586   -0.887877    2.957987
     29          1           0        2.015316    0.437815    1.631203
     30          6           0        1.491883   -2.026247    2.095210
     31          1           0        2.252019   -2.667006    2.573154
     32          1           0        0.586820   -2.629168    1.922109
     33          1           0        1.873857   -1.661985    1.132079
     34          6           0        0.541326   -1.189121    4.245486
     35          1           0        1.296512   -1.508102    4.983960
     36          1           0        0.025484   -0.293135    4.614866
     37          1           0       -0.184151   -2.004022    4.107518
     38          6           0       -4.568031    1.116955    2.859549
     39          8           0       -4.771906    1.654178    1.756973
     40          7           0       -3.524771    1.385606    3.692420
     41          1           0       -5.224376    0.315520    3.253577
     42          6           0       -2.510020    2.391175    3.370944
     43          1           0       -2.584492    2.677710    2.314765
     44          1           0       -2.640026    3.293658    3.991373
     45          1           0       -1.512301    1.977781    3.568588
     46          6           0       -3.280220    0.586888    4.893324
     47          1           0       -4.121814   -0.100055    5.061392
     48          1           0       -2.351302    0.001254    4.770056
     49          1           0       -3.165315    1.247329    5.767527
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.503197   0.000000
     3  O    3.721274   1.244119   0.000000
     4  N    3.335517   1.359523   2.315369   0.000000
     5  H    3.984375   1.108527   2.058393   2.056997   0.000000
     6  C    3.867786   2.465534   3.635240   1.462376   2.563546
     7  H    4.268119   2.551347   3.794747   2.104193   2.158813
     8  H    3.393783   3.157135   4.236636   2.105013   3.304630
     9  H    4.827305   3.207818   4.312780   2.113879   3.351434
    10  C    3.457514   2.468221   2.863615   1.464537   3.417505
    11  H    3.159285   3.250579   3.740558   2.097543   4.083479
    12  H    3.307170   2.565990   2.457197   2.102225   3.651007
    13  H    4.555500   3.102604   3.469951   2.119996   3.994258
    14  C    3.542008   6.491978   6.144701   6.405623   7.187659
    15  O    3.930288   7.209976   7.002206   7.078943   7.787503
    16  N    3.295434   5.770537   5.246693   5.948071   6.444350
    17  H    3.904901   6.619415   6.260875   6.382520   7.433732
    18  C    3.530408   5.890970   5.385936   6.305005   6.349115
    19  H    3.213348   5.038177   4.500346   5.623748   5.426011
    20  H    4.624013   6.759077   6.128461   7.271441   7.205198
    21  H    3.476333   6.256876   5.948584   6.567160   6.608943
    22  C    3.680465   5.290448   4.543040   5.539128   6.111630
    23  H    4.687062   6.001239   5.100021   6.402678   6.790974
    24  H    3.187916   4.249241   3.453528   4.627814   5.064693
    25  H    3.974256   5.567363   4.886982   5.587511   6.498490
    26  C    3.640623   5.433108   6.143450   4.330494   5.881357
    27  O    4.116032   5.824327   6.684117   4.786487   6.052211
    28  N    3.276934   5.762242   6.233923   4.821870   6.335791
    29  H    3.990736   5.115883   5.830030   3.873296   5.660798
    30  C    3.636364   5.877218   6.115627   4.961448   6.656512
    31  H    4.658212   6.965308   7.172166   6.024769   7.755341
    32  H    3.158405   5.645645   5.689402   4.949756   6.469049
    33  H    3.892033   5.435861   5.704508   4.404697   6.278324
    34  C    3.540730   6.599050   7.018685   5.846471   7.061716
    35  H    4.635996   7.646512   8.071610   6.824136   8.120331
    36  H    3.486382   6.484943   7.025620   5.797402   6.780551
    37  H    3.244911   6.569268   6.805960   5.989334   7.089959
    38  C    3.443477   4.891078   5.210622   5.353419   4.560846
    39  O    3.712763   4.146545   4.484405   4.829068   3.640919
    40  N    3.300995   5.254938   5.777942   5.378325   4.981526
    41  H    3.850553   5.632627   5.750039   6.157926   5.407799
    42  C    3.512790   4.912991   5.715838   4.793970   4.547643
    43  H    3.435251   4.019431   4.906335   4.005665   3.532808
    44  H    4.609899   5.799437   6.667422   5.673763   5.300407
    45  H    3.221472   5.030336   5.858325   4.631634   4.863108
    46  C    3.720233   6.382411   6.815260   6.363944   6.265227
    47  H    4.112369   6.839614   7.098524   6.975464   6.753069
    48  H    3.189904   6.229823   6.652465   6.028655   6.285100
    49  H    4.681966   7.204227   7.743124   7.110621   6.997505
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098765   0.000000
     8  H    1.102237   1.795784   0.000000
     9  H    1.102309   1.795162   1.791934   0.000000
    10  C    2.487386   3.416458   2.762166   2.758227   0.000000
    11  H    2.622441   3.655040   2.447521   2.900299   1.100429
    12  H    3.392924   4.189342   3.639408   3.797415   1.097878
    13  H    2.907374   3.848456   3.354040   2.755031   1.102561
    14  C    7.196344   7.750744   6.682346   8.002211   5.890776
    15  O    7.678802   8.170215   7.032344   8.521444   6.684955
    16  N    6.905415   7.355245   6.571179   7.770974   5.586269
    17  H    7.214285   7.899710   6.715569   7.902651   5.629177
    18  C    7.184087   7.424737   6.884108   8.160911   6.271549
    19  H    6.545807   6.689247   6.377556   7.546108   5.771036
    20  H    8.212493   8.425197   7.958414   9.185560   7.218365
    21  H    7.250054   7.446949   6.814825   8.259000   6.619929
    22  C    6.716900   7.231245   6.581317   7.483731   5.023347
    23  H    7.646912   8.106958   7.586450   8.410995   5.922778
    24  H    5.868756   6.320176   5.858018   6.653486   4.270283
    25  H    6.755401   7.413823   6.584822   7.403756   4.798902
    26  C    3.916823   4.704416   2.916698   4.238501   3.997555
    27  O    4.043684   4.607155   2.955833   4.389201   4.792635
    28  N    4.770326   5.563045   3.841922   5.230189   4.286061
    29  H    3.510486   4.455016   2.698254   3.604676   3.342061
    30  C    5.257573   6.179517   4.537736   5.624376   4.037108
    31  H    6.273525   7.213330   5.524335   6.558125   5.028883
    32  H    5.490689   6.345309   4.863659   6.001647   4.051390
    33  H    4.742516   5.756422   4.169931   4.949616   3.302610
    34  C    5.770115   6.393322   4.782228   6.373049   5.493487
    35  H    6.678753   7.333568   5.660519   7.185140   6.379396
    36  H    5.537287   6.000919   4.503938   6.212750   5.718218
    37  H    6.153366   6.754296   5.263194   6.851969   5.594913
    38  C    5.452450   5.095628   5.144706   6.544208   6.227443
    39  O    4.986614   4.477068   4.927844   6.060781   5.889294
    40  N    5.206032   4.944325   4.654400   6.247985   6.165643
    41  H    6.405484   6.122145   6.075143   7.505124   6.895525
    42  C    4.261004   3.938198   3.651007   5.213230   5.691729
    43  H    3.475910   2.994125   3.102061   4.459478   5.090257
    44  H    4.952836   4.495916   4.360308   5.809313   6.639688
    45  H    4.032095   3.971748   3.194171   4.903584   5.307364
    46  C    6.215691   6.123793   5.490535   7.213515   6.907274
    47  H    7.005198   6.907159   6.352884   8.041770   7.476669
    48  H    5.918757   6.021163   5.090847   6.863628   6.363284
    49  H    6.768876   6.614123   5.986371   7.709611   7.702976
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796039   0.000000
    13  H    1.790883   1.798211   0.000000
    14  C    5.498563   5.263783   6.821784   0.000000
    15  O    6.171027   6.193445   7.657812   1.243094   0.000000
    16  N    5.442457   4.824573   6.540288   1.361163   2.316684
    17  H    5.190652   4.986449   6.448251   1.108235   2.057553
    18  C    6.215297   5.574412   7.292850   2.470018   2.865994
    19  H    5.868801   5.088001   6.789029   3.267527   3.772479
    20  H    7.220474   6.443269   8.204162   3.086223   3.431292
    21  H    6.422746   6.068099   7.687236   2.573515   2.476416
    22  C    5.101069   4.078398   5.846999   2.466154   3.636604
    23  H    6.103623   4.914233   6.681989   3.176698   4.278622
    24  H    4.517693   3.317119   5.115102   3.194473   4.280801
    25  H    4.782794   3.858320   5.512241   2.549342   3.791744
    26  C    2.954125   4.592000   4.596207   5.652231   5.744234
    27  O    3.856582   5.477848   5.398046   6.415386   6.336390
    28  N    3.249450   4.571247   5.005697   4.476125   4.532859
    29  H    2.294379   4.060963   3.738694   6.082784   6.371450
    30  C    3.070527   4.092637   4.642243   4.054381   4.411307
    31  H    4.061210   5.066415   5.520841   4.460937   4.700339
    32  H    3.273618   3.827328   4.786067   3.016334   3.537172
    33  H    2.347952   3.469555   3.728281   4.769859   5.303480
    34  C    4.536652   5.656300   6.323550   4.146929   3.805681
    35  H    5.364732   6.567488   7.124193   4.780693   4.310596
    36  H    4.820462   5.975279   6.596056   4.699833   4.254606
    37  H    4.748954   5.544401   6.498739   3.105244   2.707941
    38  C    6.176969   6.185311   7.263231   5.760154   5.665278
    39  O    6.041544   5.866390   6.851427   6.383174   6.494539
    40  N    5.893453   6.289089   7.194179   5.731867   5.466166
    41  H    6.833654   6.707131   7.962990   5.452921   5.268516
    42  C    5.371702   6.065456   6.616483   6.487544   6.312737
    43  H    4.950856   5.502168   5.963526   6.740286   6.759910
    44  H    6.307094   7.087921   7.504983   7.481904   7.206586
    45  H    4.798190   5.749223   6.213178   6.104076   5.905357
    46  C    6.456250   6.972104   7.960445   5.310802   4.748788
    47  H    7.093152   7.392879   8.561441   5.099120   4.465103
    48  H    5.787020   6.430363   7.405554   4.589810   4.010729
    49  H    7.192067   7.870881   8.718255   6.262730   5.590993
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056939   0.000000
    18  C    1.465151   3.417977   0.000000
    19  H    2.099842   4.089960   1.102161   0.000000
    20  H    2.121913   3.990299   1.102841   1.791395   0.000000
    21  H    2.102100   3.652565   1.097520   1.798099   1.797233
    22  C    1.463360   2.560126   2.491441   2.619752   2.924573
    23  H    2.114333   3.308571   2.793143   2.941385   2.804916
    24  H    2.109528   3.344336   2.739753   2.409888   3.332520
    25  H    2.104672   2.153106   3.418604   3.639548   3.880622
    26  C    6.147603   5.480483   6.805915   6.761985   7.882052
    27  O    6.879916   6.403809   7.330391   7.239415   8.419243
    28  N    5.156523   4.257888   5.942869   6.085392   6.971711
    29  H    6.471346   5.771905   7.236132   7.108596   8.302131
    30  C    4.766910   3.501095   5.849209   6.060077   6.794327
    31  H    5.377238   3.776068   6.535861   6.880605   7.409102
    32  H    3.704297   2.444027   4.864323   5.139395   5.765971
    33  H    5.268675   4.152760   6.370866   6.431707   7.323054
    34  C    5.011334   4.174988   5.615342   5.932763   6.592642
    35  H    5.811166   4.703987   6.475283   6.895868   7.389211
    36  H    5.398350   4.931018   5.739385   5.949917   6.744413
    37  H    4.054203   3.235286   4.688204   5.135496   5.612388
    38  C    5.232092   6.587220   4.363455   3.779502   5.144737
    39  O    5.672947   7.122008   4.856018   4.037654   5.607322
    40  N    5.513693   6.489308   4.881744   4.513876   5.776799
    41  H    4.889911   6.396475   3.801437   3.344595   4.431469
    42  C    6.351418   7.066521   5.961996   5.528540   6.943336
    43  H    6.435435   7.256342   6.077095   5.474157   7.060031
    44  H    7.386548   8.083404   6.924299   6.504669   7.865001
    45  H    6.167139   6.566518   6.011274   5.712897   7.052017
    46  C    5.378847   6.124531   4.790374   4.753521   5.632008
    47  H    5.086161   6.041250   4.281020   4.343303   4.972798
    48  H    4.868362   5.299029   4.568945   4.668640   5.493469
    49  H    6.431546   7.045346   5.853834   5.842909   6.656775
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.392375   0.000000
    23  H    3.825726   1.102445   0.000000
    24  H    3.619589   1.103354   1.791018   0.000000
    25  H    4.180911   1.098864   1.797245   1.795144   0.000000
    26  C    6.539403   6.476716   7.579072   6.206323   6.190281
    27  O    6.924660   7.344583   8.440054   7.018132   7.186037
    28  N    5.671398   5.605483   6.695278   5.539448   5.266228
    29  H    7.122431   6.554791   7.641361   6.206375   6.170036
    30  C    5.804698   4.953561   6.002269   5.018864   4.368983
    31  H    6.453057   5.614334   6.600856   5.840014   4.920200
    32  H    4.909402   3.906148   4.942686   4.080823   3.342193
    33  H    6.456486   5.172701   6.206094   5.080155   4.524302
    34  C    5.107210   5.816443   6.853659   5.902850   5.625299
    35  H    5.927409   6.643749   7.649833   6.836199   6.357544
    36  H    5.107306   6.282597   7.313127   6.245043   6.253816
    37  H    4.191171   4.981868   5.968488   5.202760   4.846081
    38  C    3.902441   5.942995   6.581606   5.393384   6.694037
    39  O    4.648569   6.102945   6.693841   5.364831   6.868661
    40  N    4.239007   6.350996   7.135604   5.892912   6.939551
    41  H    3.251422   5.746159   6.264439   5.344970   6.588290
    42  C    5.421397   7.015826   7.902393   6.450466   7.455515
    43  H    5.719003   6.884838   7.749262   6.174140   7.333116
    44  H    6.310061   8.099026   8.970083   7.539759   8.548700
    45  H    5.457162   6.846115   7.816139   6.365805   7.138231
    46  C    3.905372   6.474548   7.259455   6.257983   7.004329
    47  H    3.309868   6.284762   6.943758   6.165824   6.922647
    48  H    3.712194   5.974591   6.845081   5.846986   6.361552
    49  H    4.923670   7.552044   8.346749   7.344262   8.043912
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242549   0.000000
    28  N    1.361067   2.315095   0.000000
    29  H    1.107900   2.058169   2.056212   0.000000
    30  C    2.466625   3.635324   1.463633   2.561422   0.000000
    31  H    3.131511   4.221839   2.116264   3.253185   1.103090
    32  H    3.235425   4.328581   2.109090   3.395823   1.101189
    33  H    2.555415   3.797725   2.103560   2.162937   1.098277
    34  C    2.464048   2.853803   1.465227   3.413801   2.495601
    35  H    3.028703   3.333810   2.122405   3.942620   2.941347
    36  H    2.585424   2.499533   2.101144   3.660049   3.391558
    37  H    3.292472   3.806776   2.099508   4.114894   2.618963
    38  C    6.154190   5.953351   6.081425   6.731309   6.869243
    39  O    6.495537   6.337336   6.575824   6.896501   7.272894
    40  N    5.269470   4.897922   5.270036   5.986609   6.273647
    41  H    6.791159   6.671829   6.515877   7.420255   7.206513
    42  C    4.579654   3.998018   4.948161   5.226947   6.095600
    43  H    4.729094   4.273432   5.219461   5.161649   6.228343
    44  H    5.271605   4.478950   5.752315   5.949659   6.997821
    45  H    3.568359   2.941483   3.974097   4.309181   5.218065
    46  C    5.327338   4.960220   5.074243   6.221443   6.118078
    47  H    6.178769   5.937005   5.751143   7.051232   6.634912
    48  H    4.455542   4.214113   4.061026   5.395399   5.102512
    49  H    5.719860   5.139719   5.591958   6.678579   6.774341
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788345   0.000000
    33  H    1.797156   1.793336   0.000000
    34  C    2.811993   2.733841   3.419435   0.000000
    35  H    2.840429   3.336972   3.897947   1.103358   0.000000
    36  H    3.842045   3.608751   4.173731   1.097874   1.796633
    37  H    2.954445   2.400253   3.633954   1.099734   1.790656
    38  C    7.804708   6.440864   7.225274   5.774456   6.767342
    39  O    8.286996   6.862235   7.453428   6.519776   7.565656
    40  N    7.144769   6.013119   6.707335   4.844404   5.769436
    41  H    8.078051   6.649360   7.667867   6.040791   6.988691
    42  C    6.992759   6.073993   6.376441   4.784774   5.682946
    43  H    7.212807   6.194704   6.333133   5.333930   6.301414
    44  H    7.840469   7.055087   7.287598   5.502807   6.287961
    45  H    6.060944   5.323644   5.536293   3.834689   4.695113
    46  C    6.824711   5.841672   6.765271   4.263581   5.034250
    47  H    7.307962   6.198609   7.336702   4.857638   5.598826
    48  H    5.756436   4.864410   5.818351   3.171666   3.953537
    49  H    7.407667   6.625178   7.439404   4.689572   5.302290
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796798   0.000000
    38  C    5.115650   5.524159   0.000000
    39  O    5.913926   6.320996   1.243322   0.000000
    40  N    4.034029   4.777199   1.361704   2.318066   0.000000
    41  H    5.457526   5.613676   1.108307   2.058290   2.055802
    42  C    3.896363   5.026924   2.473979   2.874751   1.464321
    43  H    4.574752   5.558256   2.582087   2.478614   2.109879
    44  H    4.512069   5.840396   3.120299   3.496477   2.124338
    45  H    2.935394   4.231924   3.252882   3.743219   2.101438
    46  C    3.432151   4.112900   2.464887   3.633309   1.462849
    47  H    4.175733   4.476624   2.555061   3.797255   2.106593
    48  H    2.399971   3.025992   3.131887   4.203588   2.110631
    49  H    3.725970   4.713199   3.231245   4.339494   2.110545
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419042   0.000000
    43  H    3.664737   1.096888   0.000000
    44  H    4.011548   1.102864   1.787034   0.000000
    45  H    4.079441   1.097908   1.792085   1.783828   0.000000
    46  C    2.557763   2.483204   3.391834   2.924033   2.610564
    47  H    2.157902   3.414927   4.198012   3.854598   3.654507
    48  H    3.263898   2.773884   3.639540   3.395532   2.460509
    49  H    3.380525   2.735216   3.782183   2.760093   2.846286
                   46         47         48         49
    46  C    0.000000
    47  H    1.099281   0.000000
    48  H    1.105012   1.797180   0.000000
    49  H    1.101643   1.796931   1.791722   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2155629      0.1939349      0.1847144
 Leave Link  202 at Mon Nov 14 03:22:52 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.2857365660 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1836683201 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.1020682459 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4045
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     223
 GePol: Fraction of low-weight points (<1% of avg)   =       5.51%
 GePol: Cavity surface area                          =    465.962 Ang**2
 GePol: Cavity volume                                =    458.177 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039521000 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.0981161459 Hartrees.
 Leave Link  301 at Mon Nov 14 03:22:53 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11974 LenP2D=   37479.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:22:54 2016, MaxMem=  2952790016 cpu:        13.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:22:54 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.010938   -0.015799    0.004447
         Rot=    1.000000    0.000405    0.000828   -0.000301 Ang=   0.11 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50898488420    
 Leave Link  401 at Mon Nov 14 03:23:01 2016, MaxMem=  2952790016 cpu:        79.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49086075.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.44D-15 for   1911.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.11D-15 for   1963    663.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   2870.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.50D-09 for   2818   1901.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.88D-15 for    750.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.75D-14 for   2467    175.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for    302.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.69D-15 for   1870    698.
 E= -1013.44351461395    
 DIIS: error= 1.88D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44351461395     IErMin= 1 ErrMin= 1.88D-03
 ErrMax= 1.88D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.09D-03 BMatP= 4.09D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.88D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 GapD=    0.326 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.84D-04 MaxDP=2.13D-02              OVMax= 2.91D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.84D-04    CP:  9.99D-01
 E= -1013.45101532891     Delta-E=       -0.007500714953 Rises=F Damp=F
 DIIS: error= 6.19D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45101532891     IErMin= 2 ErrMin= 6.19D-04
 ErrMax= 6.19D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-04 BMatP= 4.09D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.19D-03
 Coeff-Com:  0.310D-01 0.969D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.308D-01 0.969D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.84D-05 MaxDP=4.41D-03 DE=-7.50D-03 OVMax= 7.96D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.46D-05    CP:  1.00D+00  9.34D-01
 E= -1013.45074739162     Delta-E=        0.000267937283 Rises=F Damp=F
 DIIS: error= 1.47D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45101532891     IErMin= 2 ErrMin= 6.19D-04
 ErrMax= 1.47D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.24D-04 BMatP= 1.19D-04
 IDIUse=3 WtCom= 2.07D-01 WtEn= 7.93D-01
 Coeff-Com:  0.339D-02 0.667D+00 0.329D+00
 Coeff-En:   0.000D+00 0.746D+00 0.254D+00
 Coeff:      0.702D-03 0.729D+00 0.270D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.12D-05 MaxDP=3.09D-03 DE= 2.68D-04 OVMax= 6.12D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.73D-05    CP:  1.00D+00  9.54D-01  4.97D-01
 E= -1013.45111284173     Delta-E=       -0.000365450108 Rises=F Damp=F
 DIIS: error= 1.17D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45111284173     IErMin= 4 ErrMin= 1.17D-04
 ErrMax= 1.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-05 BMatP= 1.19D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.17D-03
 Coeff-Com: -0.250D-03 0.296D+00 0.131D+00 0.574D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.249D-03 0.296D+00 0.131D+00 0.574D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.49D-05 MaxDP=9.09D-04 DE=-3.65D-04 OVMax= 1.16D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.84D-06    CP:  1.00D+00  9.64D-01  4.24D-01  5.95D-01
 E= -1013.45112041922     Delta-E=       -0.000007577490 Rises=F Damp=F
 DIIS: error= 7.42D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45112041922     IErMin= 5 ErrMin= 7.42D-05
 ErrMax= 7.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-06 BMatP= 1.19D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-04 0.167D+00 0.728D-01 0.394D+00 0.367D+00
 Coeff:     -0.186D-04 0.167D+00 0.728D-01 0.394D+00 0.367D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.30D-06 MaxDP=2.74D-04 DE=-7.58D-06 OVMax= 5.40D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.69D-06    CP:  1.00D+00  9.65D-01  4.15D-01  6.06D-01  5.27D-01
 E= -1013.45112330560     Delta-E=       -0.000002886377 Rises=F Damp=F
 DIIS: error= 4.59D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45112330560     IErMin= 6 ErrMin= 4.59D-06
 ErrMax= 4.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-08 BMatP= 3.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-04 0.502D-01 0.216D-01 0.125D+00 0.135D+00 0.668D+00
 Coeff:     -0.142D-04 0.502D-01 0.216D-01 0.125D+00 0.135D+00 0.668D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.05D-07 MaxDP=2.18D-05 DE=-2.89D-06 OVMax= 2.17D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.31D-07    CP:  1.00D+00  9.65D-01  4.16D-01  6.08D-01  5.35D-01
                    CP:  9.14D-01
 E= -1013.45112331663     Delta-E=       -0.000000011029 Rises=F Damp=F
 DIIS: error= 1.59D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45112331663     IErMin= 7 ErrMin= 1.59D-06
 ErrMax= 1.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-09 BMatP= 1.45D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-04 0.137D-01 0.579D-02 0.362D-01 0.445D-01 0.367D+00
 Coeff-Com:  0.533D+00
 Coeff:     -0.108D-04 0.137D-01 0.579D-02 0.362D-01 0.445D-01 0.367D+00
 Coeff:      0.533D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.72D-07 MaxDP=9.28D-06 DE=-1.10D-08 OVMax= 7.69D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.36D-07    CP:  1.00D+00  9.65D-01  4.16D-01  6.09D-01  5.35D-01
                    CP:  9.28D-01  7.78D-01
 E= -1013.45112331956     Delta-E=       -0.000000002933 Rises=F Damp=F
 DIIS: error= 4.86D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45112331956     IErMin= 8 ErrMin= 4.86D-07
 ErrMax= 4.86D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-10 BMatP= 3.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.460D-05 0.340D-02 0.144D-02 0.950D-02 0.130D-01 0.136D+00
 Coeff-Com:  0.263D+00 0.574D+00
 Coeff:     -0.460D-05 0.340D-02 0.144D-02 0.950D-02 0.130D-01 0.136D+00
 Coeff:      0.263D+00 0.574D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.44D-08 MaxDP=3.97D-06 DE=-2.93D-09 OVMax= 6.82D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.65D-08    CP:  1.00D+00  9.65D-01  4.16D-01  6.09D-01  5.36D-01
                    CP:  9.32D-01  7.76D-01  7.94D-01
 E= -1013.45112331953     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 5.23D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45112331956     IErMin= 8 ErrMin= 4.86D-07
 ErrMax= 5.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-10 BMatP= 1.85D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-05 0.265D-03 0.115D-03 0.114D-02 0.260D-02 0.452D-01
 Coeff-Com:  0.120D+00 0.488D+00 0.343D+00
 Coeff:     -0.182D-05 0.265D-03 0.115D-03 0.114D-02 0.260D-02 0.452D-01
 Coeff:      0.120D+00 0.488D+00 0.343D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.69D-08 MaxDP=2.31D-06 DE= 2.50D-11 OVMax= 3.88D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.41D-08    CP:  1.00D+00  9.65D-01  4.16D-01  6.09D-01  5.36D-01
                    CP:  9.32D-01  7.78D-01  8.23D-01  4.03D-01
 E= -1013.45112331971     Delta-E=       -0.000000000176 Rises=F Damp=F
 DIIS: error= 3.29D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45112331971     IErMin=10 ErrMin= 3.29D-08
 ErrMax= 3.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-12 BMatP= 1.85D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.675D-06-0.201D-04-0.397D-05 0.144D-03 0.726D-03 0.169D-01
 Coeff-Com:  0.495D-01 0.222D+00 0.176D+00 0.534D+00
 Coeff:     -0.675D-06-0.201D-04-0.397D-05 0.144D-03 0.726D-03 0.169D-01
 Coeff:      0.495D-01 0.222D+00 0.176D+00 0.534D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.38D-09 MaxDP=2.29D-07 DE=-1.76D-10 OVMax= 2.32D-07

 Error on total polarization charges =  0.04340
 SCF Done:  E(RB97D) =  -1013.45112332     A.U. after   10 cycles
            NFock= 10  Conv=0.54D-08     -V/T= 2.0213
 KE= 9.923488365744D+02 PE=-6.029847681042D+03 EE= 2.174949605002D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.48
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:25:02 2016, MaxMem=  2952790016 cpu:      1393.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11974 LenP2D=   37479.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     366
 Leave Link  701 at Mon Nov 14 03:25:10 2016, MaxMem=  2952790016 cpu:        97.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:25:10 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:25:47 2016, MaxMem=  2952790016 cpu:       439.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.32013739D+00-2.49488190D+00 3.37316474D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.001224863    0.001526123   -0.001038427
      2        6          -0.001108541   -0.000299479   -0.000698341
      3        8           0.000422763    0.000437945    0.000310061
      4        7           0.000558190   -0.000465752    0.000234650
      5        1          -0.000009625   -0.000188513    0.000226039
      6        6          -0.000188804    0.000283987    0.001021874
      7        1          -0.000033992    0.000112764   -0.000125605
      8        1          -0.000066375   -0.000017688    0.000187998
      9        1           0.000017161   -0.000416854   -0.000322495
     10        6          -0.000128874    0.000021044   -0.000043005
     11        1           0.000423167   -0.000437822   -0.000024946
     12        1           0.000115301   -0.000019032    0.000002065
     13        1          -0.000036996    0.000116325    0.000021796
     14        6           0.000084034    0.000170514    0.000083084
     15        8          -0.000129045    0.000000633   -0.000350584
     16        7           0.000018694   -0.000095241   -0.000002217
     17        1          -0.000020479   -0.000030714   -0.000056700
     18        6           0.000169527    0.000194266   -0.000341296
     19        1           0.000061267   -0.000199662    0.000148925
     20        1           0.000055877   -0.000034289   -0.000043632
     21        1          -0.000053186    0.000159760    0.000038437
     22        6          -0.000038267    0.000235193   -0.000174695
     23        1           0.000076559    0.000093517   -0.000118044
     24        1          -0.000033327   -0.000476377    0.000339276
     25        1           0.000048687    0.000010003    0.000041508
     26        6           0.000038758   -0.000316731   -0.000004605
     27        8          -0.000161816    0.000135541   -0.000188660
     28        7          -0.000217914   -0.000426816    0.000052419
     29        1           0.000045599    0.000114245    0.000062394
     30        6           0.000637620    0.000447714    0.000346209
     31        1          -0.000160072   -0.000112472    0.000043904
     32        1          -0.000436520   -0.000250042    0.000070081
     33        1          -0.000018931    0.000099875   -0.000109391
     34        6          -0.000040914    0.000451670    0.000138667
     35        1          -0.000039961   -0.000053520    0.000113445
     36        1          -0.000017090   -0.000159626   -0.000118143
     37        1           0.000054608   -0.000076789   -0.000017688
     38        6           0.000282132   -0.000037163   -0.000368504
     39        8          -0.000361491    0.000521896    0.001137107
     40        7          -0.000053344    0.000653393   -0.000072410
     41        1          -0.000333400   -0.000035134   -0.000003770
     42        6          -0.000291130    0.002276889   -0.000890733
     43        1          -0.000706683   -0.001456152   -0.000866789
     44        1          -0.000861889   -0.000795210    0.001001918
     45        1           0.001790283   -0.001440142    0.000223942
     46        6          -0.000013623   -0.000942199    0.000283520
     47        1           0.000268301    0.000121511   -0.000138543
     48        1          -0.000714739    0.000627666    0.000041383
     49        1          -0.000116363   -0.000029057   -0.000051477
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002276889 RMS     0.000481599
 Leave Link  716 at Mon Nov 14 03:25:47 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.001538310 RMS     0.000124267
 Search for a local minimum.
 Step number  72 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .12427D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   60   61   62   64   65
                                                     66   67   68   69   70
                                                     71   72
 DE=  2.27D-04 DEPred=-7.75D-05 R=-2.93D+00
 Trust test=-2.93D+00 RLast= 4.93D-01 DXMaxT set to 1.27D-01
 ITU= -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0
 ITU=  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00001   0.00007   0.00014   0.00037   0.00097
     Eigenvalues ---    0.00150   0.00188   0.00224   0.00335   0.00389
     Eigenvalues ---    0.00398   0.00547   0.00571   0.00656   0.00703
     Eigenvalues ---    0.00754   0.00790   0.00884   0.00986   0.01009
     Eigenvalues ---    0.01112   0.01160   0.01198   0.01244   0.01285
     Eigenvalues ---    0.01325   0.01483   0.01508   0.01603   0.01645
     Eigenvalues ---    0.01666   0.01744   0.01782   0.01832   0.01879
     Eigenvalues ---    0.01900   0.02006   0.02100   0.02142   0.02178
     Eigenvalues ---    0.02304   0.02402   0.02528   0.02768   0.03013
     Eigenvalues ---    0.03078   0.03649   0.03955   0.04262   0.04332
     Eigenvalues ---    0.04566   0.05252   0.05460   0.05754   0.06033
     Eigenvalues ---    0.06211   0.06324   0.06342   0.06611   0.06756
     Eigenvalues ---    0.06921   0.07184   0.07414   0.07821   0.07978
     Eigenvalues ---    0.08045   0.08120   0.08134   0.08299   0.08392
     Eigenvalues ---    0.08583   0.08764   0.08956   0.09120   0.09351
     Eigenvalues ---    0.09590   0.09648   0.09786   0.09982   0.10057
     Eigenvalues ---    0.10168   0.10456   0.10491   0.10752   0.10851
     Eigenvalues ---    0.11199   0.11281   0.11422   0.11718   0.13154
     Eigenvalues ---    0.13402   0.14096   0.14583   0.14936   0.15210
     Eigenvalues ---    0.15529   0.15855   0.19635   0.21884   0.22274
     Eigenvalues ---    0.23502   0.23907   0.24760   0.25619   0.25810
     Eigenvalues ---    0.26932   0.27554   0.28044   0.29081   0.29469
     Eigenvalues ---    0.29870   0.30492   0.32780   0.32805   0.32820
     Eigenvalues ---    0.32835   0.33292   0.33344   0.33358   0.33374
     Eigenvalues ---    0.33391   0.33423   0.33433   0.33486   0.33691
     Eigenvalues ---    0.33790   0.33808   0.33832   0.33917   0.33936
     Eigenvalues ---    0.34016   0.34119   0.34213   0.37223   0.39100
     Eigenvalues ---    0.40613   0.41016   0.85903   0.85977   0.86232
     Eigenvalues ---    0.87998
 Eigenvalue     1 is   6.51D-06 Eigenvector:
                         D488      D354      D486      D487      D355
   1                   -0.16521   0.16457  -0.16249  -0.16055   0.14930
                         D356       R18      D357       R4        R3
   1                    0.14664  -0.14182   0.13137  -0.13012  -0.12811
 Eigenvalue     2 is   7.20D-05 Eigenvector:
                         D389      D375      D383      D381      D373
   1                   -0.18790  -0.18652  -0.18383  -0.18139  -0.17264
                         D393      D369      D371      D403      D401
   1                   -0.16713  -0.16689  -0.16595  -0.16574  -0.16566
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    72   71   70   69   68
 RFO step:  Lambda=-6.61947016D-05.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=T DC= -4.24D-06 SmlDif=  1.00D-05
 RMS Error=  0.8431021946D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=T RFO-DIIS coefs:    0.13301    1.00324    0.26830   -0.67712    0.27257
 Iteration  1 RMS(Cart)=  0.02133332 RMS(Int)=  0.00375491
 Iteration  2 RMS(Cart)=  0.00151340 RMS(Int)=  0.00019465
 Iteration  3 RMS(Cart)=  0.00007218 RMS(Int)=  0.00017698
 Iteration  4 RMS(Cart)=  0.00000003 RMS(Int)=  0.00017698
 ITry= 1 IFail=0 DXMaxC= 1.81D-01 DCOld= 1.00D+10 DXMaxT= 1.27D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.62008  -0.00005  -0.02608  -0.01912  -0.04507   6.57502
    R2        6.30321  -0.00024  -0.03089  -0.02904  -0.05987   6.24334
    R3        7.30906  -0.00033  -0.05248  -0.06980  -0.12260   7.18646
    R4        6.41332  -0.00018  -0.06899  -0.08299  -0.15215   6.26117
    R5        6.53375   0.00000   0.00211   0.02323   0.02515   6.55890
    R6        5.97018   0.00021   0.01167   0.02792   0.03988   6.01006
    R7        6.69342  -0.00016   0.00418  -0.00333   0.00085   6.69428
    R8        6.22747  -0.00006   0.00423  -0.00124   0.00292   6.23039
    R9        6.67150  -0.00017  -0.00838  -0.01329  -0.02183   6.64968
   R10        6.07235  -0.00001   0.00853   0.00878   0.01735   6.08969
   R11        6.95507   0.00000   0.00507   0.00950   0.01453   6.96960
   R12        6.02429   0.00005   0.00324   0.01010   0.01337   6.03766
   R13        6.87978  -0.00018   0.00118   0.00832   0.00954   6.88932
   R14        6.19251  -0.00003   0.00345   0.00058   0.00392   6.19643
   R15        6.87173   0.00013   0.00304   0.01147   0.01436   6.88610
   R16        5.96852  -0.00002  -0.00956  -0.00060  -0.01010   5.95842
   R17        6.69101  -0.00006   0.00073  -0.00509  -0.00446   6.68655
   R18        6.50723   0.00074   0.08482  -0.07985   0.00518   6.51241
   R19        6.23798   0.00031  -0.02044   0.00013  -0.02045   6.21752
   R20        6.63821  -0.00019  -0.03463  -0.04951  -0.08468   6.55353
   R21        6.08770  -0.00073   0.01759  -0.04543  -0.02731   6.06039
   R22        7.03022   0.00012  -0.03874   0.08201   0.04294   7.07316
   R23        6.02804   0.00004  -0.02697   0.05936   0.03248   6.06052
   R24        2.35104  -0.00064  -0.00118  -0.00139  -0.00258   2.34847
   R25        2.56913   0.00049   0.00187   0.00204   0.00393   2.57305
   R26        2.09481  -0.00012   0.00011  -0.00076  -0.00065   2.09416
   R27        2.76349   0.00012   0.00201   0.00173   0.00402   2.76751
   R28        2.76757  -0.00007   0.00084   0.00006   0.00119   2.76876
   R29        2.07636   0.00010   0.00014  -0.00013   0.00001   2.07638
   R30        2.08293  -0.00005  -0.00152  -0.00361  -0.00491   2.07801
   R31        2.08306   0.00002  -0.00037   0.00027  -0.00010   2.08297
   R32        2.07951   0.00014   0.00104  -0.00068   0.00024   2.07975
   R33        2.07469  -0.00002   0.00002   0.00039   0.00041   2.07510
   R34        2.08354  -0.00003  -0.00012   0.00004  -0.00008   2.08346
   R35        2.34911  -0.00031  -0.00022  -0.00034  -0.00056   2.34855
   R36        2.57223  -0.00013  -0.00059  -0.00117  -0.00168   2.57055
   R37        2.09426   0.00000  -0.00007   0.00026   0.00020   2.09446
   R38        2.76873  -0.00003  -0.00008   0.00050   0.00050   2.76923
   R39        2.76535  -0.00005  -0.00037  -0.00120  -0.00151   2.76384
   R40        2.08278  -0.00021  -0.00134  -0.00222  -0.00332   2.07947
   R41        2.08407  -0.00002  -0.00005  -0.00004  -0.00009   2.08398
   R42        2.07401   0.00013   0.00007   0.00032   0.00038   2.07440
   R43        2.08332  -0.00006  -0.00016  -0.00013  -0.00029   2.08303
   R44        2.08504  -0.00032  -0.00160  -0.00139  -0.00281   2.08223
   R45        2.07655   0.00001   0.00003  -0.00014  -0.00010   2.07645
   R46        2.34808   0.00001   0.00008  -0.00033  -0.00026   2.34782
   R47        2.57204   0.00007  -0.00012  -0.00123  -0.00114   2.57090
   R48        2.09363   0.00000  -0.00008   0.00015   0.00007   2.09369
   R49        2.76587  -0.00018  -0.00061  -0.00156  -0.00191   2.76396
   R50        2.76888  -0.00002  -0.00015  -0.00063  -0.00063   2.76825
   R51        2.08454  -0.00003  -0.00009   0.00007  -0.00002   2.08451
   R52        2.08095   0.00038   0.00188   0.00281   0.00470   2.08565
   R53        2.07544   0.00013   0.00024   0.00022   0.00047   2.07591
   R54        2.08504   0.00007   0.00020   0.00028   0.00048   2.08553
   R55        2.07468  -0.00017  -0.00093  -0.00039  -0.00132   2.07336
   R56        2.07820   0.00001  -0.00017   0.00013  -0.00004   2.07815
   R57        2.34954  -0.00073  -0.00055  -0.00096  -0.00152   2.34802
   R58        2.57325  -0.00028  -0.00103   0.00135   0.00017   2.57342
   R59        2.09440   0.00021   0.00057  -0.00084  -0.00027   2.09413
   R60        2.76717  -0.00041   0.00301   0.00380   0.00767   2.77484
   R61        2.76438   0.00017   0.00064   0.00076   0.00164   2.76602
   R62        2.07282   0.00051   0.00165  -0.00025   0.00140   2.07421
   R63        2.08411   0.00002  -0.00027  -0.00038  -0.00065   2.08346
   R64        2.07474   0.00154   0.00395   0.00307   0.00702   2.08176
   R65        2.07734  -0.00033  -0.00107  -0.00003  -0.00111   2.07623
   R66        2.08817  -0.00056  -0.00284   0.00197  -0.00133   2.08684
   R67        2.08180  -0.00005   0.00060  -0.00064  -0.00004   2.08176
    A1        0.67519   0.00009   0.00487   0.00578   0.01067   0.68586
    A2        0.95045   0.00010   0.00561   0.00733   0.01301   0.96346
    A3        0.72484   0.00007   0.00203   0.00067   0.00264   0.72748
    A4        1.01456   0.00013   0.00333   0.00170   0.00492   1.01948
    A5        2.34371  -0.00006  -0.00055  -0.00756  -0.00813   2.33557
    A6        2.02676  -0.00006  -0.00012  -0.00602  -0.00618   2.02058
    A7        1.98554  -0.00008   0.00029  -0.00244  -0.00220   1.98334
    A8        1.69483  -0.00005  -0.00136  -0.00349  -0.00489   1.68993
    A9        1.65507  -0.00005   0.00012  -0.00606  -0.00598   1.64910
   A10        1.37346   0.00000   0.00081  -0.00556  -0.00483   1.36863
   A11        1.72795   0.00007   0.00075   0.00072   0.00136   1.72931
   A12        2.03079   0.00009   0.00059  -0.00117  -0.00066   2.03013
   A13        1.93377   0.00007   0.00034  -0.00378  -0.00344   1.93034
   A14        2.02080   0.00007  -0.00251  -0.00946  -0.01203   2.00877
   A15        2.42697   0.00008   0.00038  -0.00049  -0.00017   2.42680
   A16        1.56220   0.00003   0.02289   0.02170   0.04454   1.60674
   A17        1.76421  -0.00001   0.01914   0.01866   0.03792   1.80213
   A18        1.55151   0.00001   0.00936   0.01165   0.02105   1.57256
   A19        1.68865   0.00017   0.01152   0.01228   0.02379   1.71245
   A20        2.16639   0.00001   0.02154   0.01231   0.03376   2.20014
   A21        2.39223  -0.00006   0.01391   0.01778   0.03193   2.42417
   A22        0.63608   0.00005   0.00683   0.00731   0.01427   0.65035
   A23        0.65554   0.00006   0.00218   0.00149   0.00354   0.65908
   A24        2.39605  -0.00005  -0.00325  -0.00521  -0.00857   2.38748
   A25        2.22593  -0.00003  -0.00180  -0.00330  -0.00519   2.22073
   A26        2.32720  -0.00001   0.00047   0.00006   0.00044   2.32764
   A27        2.06539   0.00002  -0.00089  -0.00130  -0.00225   2.06314
   A28        1.81811  -0.00003  -0.00147  -0.00249  -0.00407   1.81404
   A29        1.57682   0.00003  -0.00025  -0.00225  -0.00264   1.57418
   A30        1.33700  -0.00001  -0.00116  -0.00194  -0.00319   1.33381
   A31        1.63426   0.00001  -0.00141  -0.00244  -0.00390   1.63037
   A32        1.58181  -0.00001  -0.00159  -0.00274  -0.00433   1.57748
   A33        1.73282   0.00001  -0.00407  -0.00668  -0.01080   1.72202
   A34        2.03234   0.00000  -0.00156  -0.00281  -0.00440   2.02794
   A35        1.82047   0.00008   0.02539   0.02048   0.04603   1.86650
   A36        1.88970   0.00004   0.02186   0.01347   0.03548   1.92518
   A37        1.55017   0.00006   0.01323   0.00619   0.01955   1.56973
   A38        1.56840   0.00010   0.01347   0.00538   0.01884   1.58724
   A39        2.24711   0.00006   0.02016   0.00382   0.02379   2.27090
   A40        2.35595   0.00000   0.00447   0.01385   0.01834   2.37429
   A41        0.68414   0.00005   0.00420   0.00455   0.00871   0.69285
   A42        0.73901   0.00011   0.00533   0.00696   0.01228   0.75129
   A43        2.65990   0.00000  -0.00307   0.00083  -0.00229   2.65761
   A44        2.60162   0.00001   0.00141   0.00261   0.00399   2.60561
   A45        2.65874   0.00001   0.00539   0.00268   0.00803   2.66678
   A46        2.35538   0.00003   0.00439   0.00082   0.00523   2.36060
   A47        2.19377   0.00002   0.00197   0.00352   0.00545   2.19922
   A48        1.95835   0.00007   0.00368   0.00316   0.00675   1.96510
   A49        1.09609  -0.00001  -0.00333  -0.00005  -0.00332   1.09276
   A50        1.45447   0.00002  -0.00301   0.00038  -0.00255   1.45192
   A51        1.55157   0.00000  -0.00176   0.00243   0.00084   1.55241
   A52        1.78579   0.00005  -0.00302   0.00029  -0.00261   1.78318
   A53        1.78409  -0.00002  -0.00410  -0.00252  -0.00656   1.77752
   A54        1.68033   0.00001   0.02184   0.01283   0.03478   1.71511
   A55        1.61963  -0.00001   0.01818   0.00393   0.02212   1.64175
   A56        1.22762   0.00002   0.01100  -0.00183   0.00922   1.23684
   A57        1.19785   0.00003   0.00991  -0.00169   0.00816   1.20601
   A58        1.91957   0.00001   0.01387  -0.00582   0.00793   1.92750
   A59        1.98347  -0.00004  -0.00131   0.00722   0.00598   1.98945
   A60        0.82974   0.00006   0.01050   0.00786   0.01841   0.84814
   A61        0.76235   0.00012   0.01322   0.01155   0.02484   0.78719
   A62        2.59913   0.00000  -0.00002   0.00327   0.00325   2.60238
   A63        2.76527   0.00002   0.00455   0.00707   0.01164   2.77691
   A64        2.61262   0.00004   0.00343   0.00031   0.00363   2.61625
   A65        2.38992   0.00003   0.00612   0.00806   0.01417   2.40409
   A66        2.19439   0.00009   0.00733   0.00684   0.01409   2.20848
   A67        0.85237  -0.00001  -0.00041   0.00219   0.00214   0.85451
   A68        1.22707   0.00002   0.00031   0.00264   0.00323   1.23030
   A69        1.40186   0.00000   0.00356   0.00633   0.01021   1.41207
   A70        1.67181   0.00005   0.00304   0.00515   0.00849   1.68031
   A71        1.52148  -0.00003  -0.00301  -0.00251  -0.00534   1.51613
   A72        1.70351  -0.00002   0.01160   0.00559   0.01716   1.72067
   A73        1.53728  -0.00002   0.00934  -0.00405   0.00524   1.54252
   A74        1.11349   0.00003   0.00519  -0.00834  -0.00314   1.11035
   A75        1.00658  -0.00002   0.00453  -0.00829  -0.00379   1.00279
   A76        1.76157  -0.00001   0.00416  -0.01318  -0.00902   1.75255
   A77        1.76712  -0.00004  -0.00953   0.00226  -0.00712   1.76000
   A78        2.00037  -0.00005  -0.00511  -0.00382  -0.00895   1.99142
   A79        1.94794  -0.00004  -0.00501  -0.00127  -0.00633   1.94161
   A80        2.22801  -0.00003  -0.00375   0.00187  -0.00197   2.22604
   A81        2.08997   0.00000  -0.00562   0.00030  -0.00542   2.08455
   A82        1.56034  -0.00003  -0.00441   0.00031  -0.00417   1.55617
   A83        1.39378   0.00002  -0.00324   0.00050  -0.00285   1.39093
   A84        1.19549   0.00000  -0.00043  -0.00715  -0.00762   1.18787
   A85        1.37887   0.00001  -0.00111  -0.00648  -0.00757   1.37130
   A86        1.20990   0.00000  -0.00165  -0.00495  -0.00650   1.20340
   A87        1.31546   0.00002  -0.00454  -0.00773  -0.01219   1.30328
   A88        1.80522   0.00001  -0.00120  -0.00627  -0.00743   1.79779
   A89        2.25061   0.00008   0.02592   0.02053   0.04649   2.29710
   A90        2.29739   0.00003   0.02249   0.01007   0.03246   2.32985
   A91        1.91084   0.00007   0.01542   0.00232   0.01779   1.92863
   A92        1.83586   0.00003   0.01487  -0.00090   0.01385   1.84971
   A93        2.59042   0.00005   0.01534  -0.00444   0.01027   2.60069
   A94        2.55424   0.00005  -0.00688   0.00505  -0.00231   2.55193
   A95        1.92237  -0.00012  -0.00888  -0.00627  -0.01518   1.90719
   A96        2.00604  -0.00010  -0.00927  -0.00453  -0.01387   1.99217
   A97        2.38264  -0.00009  -0.00818  -0.00222  -0.01051   2.37213
   A98        2.34093  -0.00004  -0.00914  -0.00312  -0.01242   2.32852
   A99        1.67825  -0.00008  -0.00831  -0.00257  -0.01098   1.66727
   A100       1.58399  -0.00003  -0.00655  -0.00250  -0.00920   1.57478
   A101       0.88834   0.00000   0.00043  -0.00559  -0.00519   0.88315
   A102       1.05789  -0.00002  -0.00157  -0.00535  -0.00688   1.05101
   A103       0.92783  -0.00006  -0.00348  -0.00444  -0.00781   0.92003
   A104       1.08941  -0.00005  -0.00673  -0.00733  -0.01398   1.07544
   A105       1.48412  -0.00002  -0.00162  -0.00519  -0.00675   1.47737
   A106       2.41872   0.00013   0.02728   0.02003   0.04738   2.46609
   A107       2.29732   0.00010   0.02184   0.00651   0.02808   2.32540
   A108       1.86962   0.00016   0.01845   0.00237   0.02090   1.89052
   A109       1.70203   0.00003   0.01631  -0.00107   0.01514   1.71717
   A110       2.43391   0.00007   0.00752  -0.00808  -0.00086   2.43305
   A111       2.29362   0.00008  -0.01069   0.00370  -0.00740   2.28622
   A112       0.71353   0.00000  -0.00004   0.00063   0.00063   0.71416
   A113       1.00544  -0.00002  -0.00069   0.00007  -0.00061   1.00483
   A114       0.69592  -0.00002  -0.00061  -0.00095  -0.00155   0.69437
   A115       0.98402  -0.00007  -0.00124  -0.00143  -0.00261   0.98141
   A116       1.81149   0.00000  -0.00415  -0.00442  -0.00865   1.80284
   A117       1.43040  -0.00002  -0.00403  -0.00349  -0.00762   1.42278
   A118       1.20014   0.00001  -0.00431  -0.00380  -0.00830   1.19184
   A119       0.92738  -0.00005  -0.00286  -0.00175  -0.00473   0.92264
   A120       1.25099   0.00003  -0.00237  -0.00004  -0.00248   1.24851
   A121       1.93881  -0.00001  -0.01748  -0.01287  -0.03058   1.90824
   A122       1.98503   0.00001  -0.01760  -0.00671  -0.02444   1.96059
   A123       2.33408   0.00000  -0.01000  -0.00159  -0.01164   2.32244
   A124       2.25003  -0.00010  -0.01107  -0.00428  -0.01534   2.23469
   A125       1.63986   0.00000  -0.01728   0.00114  -0.01614   1.62372
   A126       1.49749   0.00007  -0.00762  -0.01003  -0.01779   1.47970
   A127       0.65652  -0.00001  -0.00105  -0.00070  -0.00176   0.65476
   A128       0.66202  -0.00006  -0.00104  -0.00075  -0.00174   0.66028
   A129       2.17740  -0.00001  -0.00503  -0.00502  -0.01012   2.16728
   A130       1.80402  -0.00003  -0.00472  -0.00373  -0.00853   1.79548
   A131       1.51404   0.00001  -0.00512  -0.00391  -0.00921   1.50483
   A132       1.22204  -0.00004  -0.00439  -0.00287  -0.00739   1.21465
   A133       1.64443   0.00002  -0.00267  -0.00002  -0.00275   1.64168
   A134       1.77748   0.00002  -0.01098  -0.00943  -0.02074   1.75673
   A135       1.97940   0.00000  -0.01325  -0.00252  -0.01594   1.96346
   A136       2.40439  -0.00005  -0.00971   0.00132  -0.00851   2.39588
   A137       2.48332  -0.00004  -0.01113  -0.00066  -0.01181   2.47151
   A138       1.74426  -0.00001  -0.01160   0.00499  -0.00669   1.73757
   A139       1.69792   0.00003  -0.00088  -0.00990  -0.01087   1.68705
   A140       0.70439   0.00000   0.00015   0.00036   0.00051   0.70490
   A141       0.83424  -0.00005  -0.00052   0.00136   0.00087   0.83511
   A142       2.50056   0.00000  -0.00343  -0.00298  -0.00643   2.49413
   A143       2.12190  -0.00002  -0.00362  -0.00260  -0.00626   2.11564
   A144       1.90930   0.00001  -0.00450  -0.00316  -0.00780   1.90150
   A145       1.62563  -0.00004  -0.00349  -0.00163  -0.00522   1.62041
   A146       1.83512   0.00001  -0.00175   0.00017  -0.00158   1.83354
   A147       1.35182   0.00002  -0.01062  -0.00990  -0.02075   1.33107
   A148       1.59101  -0.00001  -0.01102  -0.00144  -0.01254   1.57847
   A149       2.01871  -0.00007  -0.00909   0.00156  -0.00765   2.01106
   A150       2.19498   0.00004  -0.00918   0.00215  -0.00704   2.18794
   A151       1.44268  -0.00001  -0.00616   0.00676   0.00056   1.44324
   A152       1.49240  -0.00001   0.00655  -0.00908  -0.00254   1.48986
   A153       0.76833   0.00000  -0.00259  -0.00233  -0.00492   0.76341
   A154       0.77193  -0.00002  -0.00349  -0.00130  -0.00476   0.76717
   A155       2.81291  -0.00002  -0.00390  -0.00319  -0.00736   2.80555
   A156       2.43138  -0.00005  -0.00407  -0.00278  -0.00699   2.42439
   A157       2.16977   0.00000  -0.00639  -0.00477  -0.01136   2.15841
   A158       1.87667  -0.00005  -0.00585  -0.00396  -0.01000   1.86667
   A159       2.14372  -0.00002  -0.00038   0.00169   0.00125   2.14497
   A160       1.20584   0.00005  -0.00167  -0.00321  -0.00493   1.20091
   A161       1.53086  -0.00001  -0.00264   0.00535   0.00275   1.53360
   A162       1.92827  -0.00007  -0.00389   0.00610   0.00214   1.93041
   A163       2.18513   0.00010  -0.00255   0.00834   0.00581   2.19094
   A164       1.50509  -0.00002   0.00363   0.01243   0.01596   1.52106
   A165       1.63401  -0.00005   0.01491  -0.00356   0.01131   1.64532
   A166       2.17154  -0.00001  -0.00570  -0.00626  -0.01205   2.15948
   A167       1.87119  -0.00002  -0.00530  -0.00460  -0.00999   1.86120
   A168       1.48734   0.00002  -0.00526  -0.00394  -0.00937   1.47797
   A169       1.20742  -0.00003  -0.00549  -0.00445  -0.01008   1.19734
   A170       1.87265   0.00002  -0.00336  -0.00088  -0.00430   1.86835
   A171       1.97273   0.00004  -0.00335  -0.00468  -0.00853   1.96420
   A172       2.28374  -0.00001  -0.00867   0.00067  -0.00829   2.27546
   A173       2.69634  -0.00008  -0.00686   0.00359  -0.00346   2.69287
   A174       2.13026  -0.00002  -0.00942   0.00558  -0.00403   2.12624
   A175       2.10595   0.00002  -0.00111  -0.01074  -0.01195   2.09399
   A176       2.27916  -0.00001  -0.00524  -0.00806  -0.01342   2.26574
   A177       2.05817  -0.00003  -0.00532  -0.00645  -0.01185   2.04631
   A178       1.64864   0.00001  -0.00506  -0.00555  -0.01075   1.63789
   A179       1.39685  -0.00004  -0.00589  -0.00677  -0.01278   1.38407
   A180       2.13879  -0.00002  -0.00387  -0.00231  -0.00622   2.13257
   A181       1.89858   0.00006   0.00326   0.00189   0.00466   1.90323
   A182       2.27755  -0.00002  -0.00194   0.00701   0.00484   2.28239
   A183       2.59262  -0.00006  -0.00121   0.00756   0.00626   2.59888
   A184       2.26414  -0.00005  -0.00353   0.00974   0.00597   2.27010
   A185       2.31983  -0.00005   0.00330  -0.00877  -0.00564   2.31419
   A186       0.69163  -0.00003  -0.00034  -0.00206  -0.00231   0.68932
   A187       0.98252   0.00003  -0.00049  -0.00216  -0.00260   0.97992
   A188       0.69994   0.00001  -0.00039  -0.00109  -0.00141   0.69852
   A189       2.10483  -0.00005   0.00250   0.00676   0.00935   2.11419
   A190       1.72184   0.00002   0.00475  -0.00019   0.00456   1.72640
   A191       1.38915   0.00009   0.00946   0.00133   0.01097   1.40012
   A192       1.08756  -0.00014   0.00696  -0.00150   0.00553   1.09310
   A193       1.61830   0.00001  -0.00363  -0.00600  -0.00950   1.60880
   A194       1.41614   0.00007  -0.01385   0.00741  -0.00652   1.40963
   A195       0.66683   0.00000   0.00034   0.00008   0.00047   0.66730
   A196       2.26209  -0.00007  -0.00769  -0.00199  -0.00978   2.25231
   A197       1.85848   0.00001  -0.00287  -0.00539  -0.00833   1.85015
   A198       1.63192   0.00009   0.00590  -0.00118   0.00487   1.63679
   A199       1.31594  -0.00017   0.00272  -0.00425  -0.00146   1.31448
   A200       1.61878  -0.00001  -0.01122  -0.00784  -0.01889   1.59989
   A201       1.35768   0.00008  -0.01762   0.00207  -0.01566   1.34202
   A202       0.70979   0.00000   0.00001   0.00054   0.00056   0.71035
   A203       2.65237  -0.00011  -0.01303  -0.00691  -0.02045   2.63192
   A204       2.25850  -0.00002  -0.00573  -0.00763  -0.01351   2.24499
   A205       2.04182   0.00005   0.00633  -0.00196   0.00456   2.04638
   A206       1.72624  -0.00020   0.00311  -0.00505  -0.00184   1.72440
   A207       1.96404  -0.00004  -0.01538  -0.00871  -0.02391   1.94013
   A208       1.68471   0.00007  -0.01892  -0.00203  -0.02111   1.66360
   A209       0.83338   0.00003   0.00209   0.00411   0.00623   0.83961
   A210       2.69855  -0.00010  -0.01980  -0.01138  -0.03135   2.66720
   A211       2.39360  -0.00001  -0.01006  -0.00682  -0.01696   2.37664
   A212       2.28760   0.00008   0.00497  -0.00086   0.00431   2.29192
   A213       1.97418  -0.00017   0.00199  -0.00395  -0.00183   1.97234
   A214       2.02495  -0.00004  -0.01671  -0.00395  -0.02046   2.00449
   A215       1.74596   0.00007  -0.01620  -0.00166  -0.01798   1.72797
   A216       1.94661  -0.00011  -0.01486  -0.00931  -0.02402   1.92259
   A217       1.57229  -0.00002  -0.00945  -0.01017  -0.01963   1.55266
   A218       1.49102   0.00003  -0.00005  -0.00498  -0.00492   1.48610
   A219       1.20266  -0.00022  -0.00361  -0.00783  -0.01138   1.19128
   A220       1.25433  -0.00004  -0.01513  -0.00924  -0.02419   1.23013
   A221       0.97626   0.00006  -0.01879  -0.00188  -0.02072   0.95553
   A222       0.72695  -0.00013  -0.00376   0.00791   0.00449   0.73145
   A223       1.01774   0.00009  -0.00392   0.00866   0.00502   1.02276
   A224       0.69843  -0.00007  -0.00023  -0.00227  -0.00225   0.69618
   A225       0.98070  -0.00018   0.00177  -0.00735  -0.00544   0.97526
   A226       0.65564   0.00012  -0.00025   0.00271   0.00250   0.65813
   A227       0.66153  -0.00009   0.00203  -0.00416  -0.00232   0.65920
   A228       0.69863  -0.00001   0.00593  -0.00307   0.00284   0.70147
   A229       0.84822  -0.00007   0.00151   0.00713   0.00852   0.85674
   A230       0.75823   0.00003  -0.00152  -0.00479  -0.00633   0.75190
   A231       0.78770  -0.00009  -0.00897   0.00851  -0.00056   0.78714
   A232       1.57397   0.00003   0.01370   0.01059   0.02432   1.59829
   A233       1.88143  -0.00020  -0.02192  -0.01803  -0.03989   1.84155
   A234       2.19053  -0.00006  -0.00036  -0.00165  -0.00219   2.18834
   A235       2.12873   0.00004   0.00030   0.00062   0.00113   2.12985
   A236       1.96373   0.00001  -0.00016   0.00083   0.00052   1.96424
   A237       2.12483  -0.00010  -0.00091  -0.00126  -0.00243   2.12241
   A238       2.12597   0.00003   0.00095   0.00235   0.00310   2.12907
   A239       2.03134   0.00006   0.00004  -0.00094  -0.00046   2.03087
   A240       1.81436   0.00007   0.02140   0.01135   0.03280   1.84716
   A241       2.56063  -0.00015  -0.02225  -0.01525  -0.03758   2.52305
   A242       1.91413   0.00009   0.00015   0.00038  -0.00013   1.91401
   A243       1.91163   0.00007   0.00603   0.00659   0.01269   1.92432
   A244       1.92389  -0.00015  -0.00850  -0.00782  -0.01538   1.90851
   A245       1.90855   0.00000   0.00097   0.00527   0.00646   1.91501
   A246       1.90748   0.00008   0.00076   0.00343   0.00408   1.91155
   A247       1.89801  -0.00009   0.00062  -0.00783  -0.00777   1.89024
   A248       1.27372   0.00010   0.00771   0.01817   0.02596   1.29967
   A249       1.90060   0.00018   0.00140   0.00322   0.00471   1.90531
   A250       1.90972   0.00002  -0.00063   0.00033   0.00011   1.90983
   A251       1.92954  -0.00008  -0.00075  -0.00265  -0.00351   1.92603
   A252       1.91241  -0.00007  -0.00018  -0.00064  -0.00127   1.91114
   A253       1.89834  -0.00005   0.00007  -0.00025  -0.00005   1.89829
   A254       1.91309   0.00000   0.00011   0.00000   0.00003   1.91312
   A255       1.72540  -0.00007  -0.00257  -0.00277  -0.00534   1.72006
   A256       1.75970   0.00004   0.00339   0.00250   0.00592   1.76562
   A257       2.19177  -0.00004  -0.00062  -0.00021  -0.00087   2.19091
   A258       2.12929   0.00003   0.00053   0.00104   0.00158   2.13088
   A259       1.96188   0.00002   0.00011  -0.00082  -0.00069   1.96120
   A260       2.12573   0.00001  -0.00082  -0.00095  -0.00170   2.12403
   A261       2.12241  -0.00001   0.00009  -0.00100  -0.00093   2.12148
   A262       2.03483   0.00000   0.00064   0.00193   0.00251   2.03735
   A263       1.36502  -0.00005  -0.01430  -0.01680  -0.03113   1.33388
   A264       1.90124   0.00007  -0.00080  -0.00053  -0.00155   1.89969
   A265       1.93118  -0.00006   0.00032   0.00036   0.00077   1.93195
   A266       1.90918   0.00000   0.00044  -0.00032   0.00001   1.90918
   A267       1.89659  -0.00001   0.00055   0.00117   0.00174   1.89833
   A268       1.91389  -0.00003  -0.00067  -0.00051  -0.00099   1.91290
   A269       1.91165   0.00003   0.00015  -0.00016   0.00001   1.91165
   A270       2.66410   0.00000  -0.00073  -0.00665  -0.00740   2.65670
   A271       1.69990  -0.00002   0.00033   0.00685   0.00720   1.70710
   A272       1.92318   0.00003   0.00091  -0.00125  -0.00037   1.92281
   A273       1.91553  -0.00007  -0.00147   0.00008  -0.00133   1.91420
   A274       1.91350  -0.00003   0.00002   0.00084   0.00089   1.91439
   A275       1.89500  -0.00001  -0.00065  -0.00058  -0.00124   1.89376
   A276       1.91045   0.00002   0.00018   0.00038   0.00056   1.91101
   A277       1.90598   0.00005   0.00100   0.00054   0.00150   1.90748
   A278       1.81001  -0.00016  -0.00279   0.00333   0.00056   1.81057
   A279       1.75082   0.00008   0.00274   0.00182   0.00457   1.75539
   A280       2.19005  -0.00006   0.00028   0.00036   0.00059   2.19064
   A281       2.13174   0.00000  -0.00114  -0.00146  -0.00263   2.12911
   A282       1.96132   0.00007   0.00086   0.00113   0.00207   1.96339
   A283       2.12286  -0.00008  -0.00012  -0.00321  -0.00322   2.11965
   A284       2.11709  -0.00007  -0.00119  -0.00288  -0.00398   2.11311
   A285       2.03986   0.00015   0.00146   0.00555   0.00682   2.04668
   A286       2.70178  -0.00005  -0.01022  -0.01140  -0.02158   2.68020
   A287       1.66088  -0.00004   0.00817   0.01058   0.01872   1.67960
   A288       1.92486   0.00001   0.00068   0.00436   0.00531   1.93017
   A289       1.91687  -0.00009  -0.00019  -0.00018  -0.00037   1.91650
   A290       1.91224   0.00002  -0.00004  -0.00089  -0.00104   1.91121
   A291       1.89276  -0.00002  -0.00156  -0.00172  -0.00335   1.88941
   A292       1.91023   0.00009   0.00126   0.00005   0.00125   1.91149
   A293       1.90667  -0.00001  -0.00016  -0.00168  -0.00188   1.90479
   A294       1.36519  -0.00011  -0.00443  -0.01290  -0.01730   1.34789
   A295       1.14499   0.00006   0.00287   0.00820   0.01105   1.15604
   A296       1.93122   0.00006   0.00058   0.00217   0.00281   1.93403
   A297       1.90739   0.00003  -0.00053   0.00087   0.00036   1.90776
   A298       1.90320  -0.00003  -0.00025  -0.00113  -0.00157   1.90163
   A299       1.90958   0.00001  -0.00007  -0.00036  -0.00043   1.90915
   A300       1.89786  -0.00005  -0.00030  -0.00012  -0.00040   1.89746
   A301       1.91451  -0.00003   0.00057  -0.00147  -0.00081   1.91371
   A302       1.61533   0.00062   0.04541  -0.05926  -0.01348   1.60185
   A303       1.80090   0.00017  -0.00498   0.04330   0.03812   1.83902
   A304       2.19294   0.00008  -0.00240   0.00272  -0.00067   2.19228
   A305       2.13013  -0.00018  -0.00013   0.00053   0.00088   2.13101
   A306       1.95943   0.00013   0.00282  -0.00314   0.00017   1.95961
   A307       2.13191  -0.00001  -0.00661  -0.00092  -0.00711   2.12480
   A308       2.12055  -0.00009   0.00300   0.00047   0.00339   2.12394
   A309       2.02564   0.00010   0.00631  -0.00185   0.00469   2.03033
   A310       1.34279  -0.00064  -0.04436  -0.02528  -0.06953   1.27325
   A311       3.02447  -0.00019   0.03880   0.01462   0.05361   3.07807
   A312       1.92168  -0.00026  -0.00899  -0.00448  -0.01284   1.90884
   A313       1.93558  -0.00019  -0.00823  -0.01446  -0.02371   1.91187
   A314       1.90886  -0.00013  -0.00663  -0.00207  -0.00918   1.89967
   A315       1.89644   0.00080   0.01269   0.01169   0.02462   1.92106
   A316       1.91070  -0.00023   0.00152  -0.00038   0.00086   1.91155
   A317       1.89017   0.00002   0.00990   0.01009   0.02051   1.91067
   A318       1.80059   0.00003  -0.02252   0.05974   0.03703   1.83762
   A319       1.91636  -0.00001  -0.00026   0.00188   0.00195   1.91830
   A320       1.91593  -0.00008  -0.00132  -0.00714  -0.00890   1.90703
   A321       1.91937  -0.00005   0.00170   0.00011   0.00178   1.92115
   A322       1.90652   0.00009  -0.00004   0.00242   0.00239   1.90891
   A323       1.91045   0.00004  -0.00014   0.00093   0.00077   1.91122
   A324       1.89501   0.00001   0.00005   0.00182   0.00201   1.89703
   A325       2.93599   0.00002   0.00591   0.00489   0.01081   2.94680
   A326       3.34373   0.00012   0.01164   0.00623   0.01782   3.36154
   A327       3.06211   0.00017   0.01233   0.00673   0.01896   3.08108
   A328       3.18680   0.00010   0.00782   0.01818   0.02599   3.21279
   A329       3.27666  -0.00002  -0.01415  -0.01696  -0.03112   3.24554
   A330       3.27478  -0.00010  -0.00450  -0.01326  -0.01773   3.25705
   A331       3.71104   0.00007  -0.02265   0.06067   0.03780   3.74884
   A332       3.21556   0.00002   0.00415   0.01051   0.01451   3.23007
   A333       2.98567   0.00013  -0.00271   0.00792   0.00533   2.99100
   A334       2.91935   0.00014  -0.00301   0.00858   0.00569   2.92504
   A335       3.24101  -0.00014  -0.01088  -0.01494  -0.02568   3.21533
   A336       3.07787   0.00005   0.00186   0.00378   0.00572   3.08359
   A337       3.10115  -0.00004   0.00056   0.00187   0.00246   3.10361
   A338       3.04343  -0.00004  -0.00113   0.00987   0.00878   3.05221
    D1        2.76077  -0.00002  -0.00282  -0.00095  -0.00392   2.75685
    D2       -1.36077  -0.00001  -0.00215  -0.00012  -0.00245  -1.36323
    D3        2.77791   0.00000   0.00513   0.00060   0.00566   2.78357
    D4       -1.34364   0.00001   0.00580   0.00143   0.00712  -1.33651
    D5        1.66792   0.00001  -0.00530  -0.00461  -0.00994   1.65798
    D6       -2.45362   0.00002  -0.00464  -0.00378  -0.00848  -2.46210
    D7        1.85364  -0.00008  -0.00860  -0.01138  -0.02003   1.83361
    D8       -2.26790  -0.00007  -0.00794  -0.01055  -0.01857  -2.28647
    D9        0.32279  -0.00007   0.00143  -0.00839  -0.00693   0.31586
   D10        2.48444  -0.00006   0.00209  -0.00756  -0.00547   2.47897
   D11        0.03217  -0.00003   0.00153  -0.00951  -0.00793   0.02424
   D12        2.19382  -0.00002   0.00220  -0.00868  -0.00647   2.18735
   D13       -0.43765  -0.00002   0.00099  -0.00991  -0.00885  -0.44650
   D14        1.72399  -0.00001   0.00165  -0.00908  -0.00739   1.71660
   D15       -0.56319  -0.00001   0.00369  -0.00927  -0.00552  -0.56871
   D16        1.59845   0.00000   0.00436  -0.00844  -0.00406   1.59439
   D17        0.20857  -0.00002   0.00111  -0.01215  -0.01098   0.19759
   D18        2.37021  -0.00001   0.00177  -0.01132  -0.00952   2.36069
   D19        0.14224  -0.00001   0.00081  -0.01150  -0.01062   0.13162
   D20        2.30388   0.00000   0.00147  -0.01067  -0.00915   2.29473
   D21        2.40762  -0.00002  -0.00460  -0.02003  -0.02468   2.38293
   D22       -1.71393  -0.00001  -0.00394  -0.01920  -0.02322  -1.73715
   D23        2.16187  -0.00004  -0.00476  -0.02124  -0.02603   2.13584
   D24       -1.95967  -0.00003  -0.00410  -0.02041  -0.02457  -1.98424
   D25        1.72193  -0.00001  -0.00446  -0.01889  -0.02344   1.69849
   D26       -2.39961   0.00000  -0.00379  -0.01806  -0.02198  -2.42159
   D27        1.41610  -0.00008  -0.00472  -0.01916  -0.02387   1.39222
   D28       -2.70544  -0.00007  -0.00405  -0.01833  -0.02241  -2.72786
   D29        2.36489   0.00002  -0.00429  -0.02284  -0.02717   2.33772
   D30       -1.75665   0.00003  -0.00363  -0.02201  -0.02571  -1.78236
   D31       -1.76491  -0.00006   0.00232  -0.00921  -0.00631  -1.77122
   D32        0.39674  -0.00005   0.00299  -0.00838  -0.00485   0.39189
   D33       -2.11740   0.00001   0.00440  -0.01636  -0.01183  -2.12923
   D34        0.04424   0.00002   0.00506  -0.01553  -0.01037   0.03387
   D35       -2.49186   0.00007   0.00649  -0.01680  -0.01018  -2.50204
   D36       -0.33021   0.00007   0.00716  -0.01597  -0.00872  -0.33893
   D37       -2.77711  -0.00014   0.00382  -0.02007  -0.01631  -2.79341
   D38       -0.61546  -0.00013   0.00449  -0.01924  -0.01485  -0.63031
   D39       -2.13855   0.00005  -0.00258  -0.02358  -0.02618  -2.16472
   D40        0.02310   0.00006  -0.00191  -0.02275  -0.02472  -0.00162
   D41       -2.36345   0.00016  -0.02315  -0.00667  -0.03003  -2.39348
   D42       -0.20181   0.00016  -0.02248  -0.00583  -0.02857  -0.23038
   D43        1.27140  -0.00002  -0.01081  -0.00324  -0.01415   1.25725
   D44       -1.92048   0.00002  -0.01390  -0.01919  -0.03318  -1.95367
   D45        2.46995  -0.00001  -0.01476  -0.01075  -0.02552   2.44443
   D46       -0.72193   0.00003  -0.01785  -0.02669  -0.04456  -0.76649
   D47        2.95877  -0.00003  -0.01742  -0.01666  -0.03401   2.92476
   D48       -0.23311   0.00001  -0.02051  -0.03261  -0.05305  -0.28616
   D49        2.86449  -0.00001   0.00059  -0.01204  -0.01139   2.85310
   D50       -0.32739   0.00003  -0.00250  -0.02799  -0.03042  -0.35782
   D51        2.04808   0.00001   0.00145  -0.01524  -0.01366   2.03442
   D52       -1.14380   0.00005  -0.00164  -0.03119  -0.03270  -1.17650
   D53        1.15921  -0.00002  -0.00436  -0.02167  -0.02596   1.13325
   D54       -2.03267   0.00002  -0.00745  -0.03762  -0.04499  -2.07767
   D55        1.01427  -0.00002  -0.00268  -0.01543  -0.01799   0.99628
   D56       -2.17761   0.00002  -0.00578  -0.03138  -0.03703  -2.21463
   D57        2.02189   0.00000  -0.00399  -0.01602  -0.01992   2.00197
   D58       -1.16999   0.00004  -0.00708  -0.03197  -0.03895  -1.20894
   D59        1.82891   0.00001  -0.00583  -0.01453  -0.02028   1.80863
   D60       -1.36297   0.00005  -0.00893  -0.03048  -0.03932  -1.40228
   D61       -2.26439  -0.00002  -0.01349  -0.02474  -0.03827  -2.30266
   D62        0.82692   0.00002  -0.01658  -0.04068  -0.05731   0.76961
   D63       -2.40372  -0.00001  -0.01252  -0.02111  -0.03364  -2.43736
   D64        0.68758   0.00003  -0.01561  -0.03706  -0.05267   0.63491
   D65       -2.80724   0.00003  -0.01198  -0.01949  -0.03150  -2.83873
   D66        0.28407   0.00006  -0.01508  -0.03544  -0.05053   0.23353
   D67       -2.98586   0.00000  -0.01283  -0.02127  -0.03414  -3.01999
   D68        0.10545   0.00004  -0.01592  -0.03721  -0.05317   0.05228
   D69       -2.13173   0.00003  -0.01139  -0.01726  -0.02865  -2.16039
   D70        0.95957   0.00007  -0.01448  -0.03321  -0.04769   0.91188
   D71       -0.14764  -0.00009  -0.02164  -0.02389  -0.04538  -0.19302
   D72        2.94366  -0.00005  -0.02473  -0.03983  -0.06441   2.87924
   D73       -0.54882   0.00000  -0.01742  -0.02696  -0.04444  -0.59326
   D74        2.54248   0.00004  -0.02051  -0.04290  -0.06348   2.47901
   D75       -0.72566   0.00007  -0.00683  -0.02224  -0.02893  -0.75459
   D76        2.36565   0.00011  -0.00993  -0.03818  -0.04797   2.31768
   D77       -1.06175  -0.00020  -0.00882  -0.02576  -0.03452  -1.09627
   D78        2.02955  -0.00016  -0.01191  -0.04171  -0.05355   1.97600
   D79       -0.82403  -0.00001  -0.02733  -0.02870  -0.05578  -0.87981
   D80        2.26727   0.00002  -0.03042  -0.04465  -0.07481   2.19246
   D81       -1.12049   0.00010  -0.03342  -0.02041  -0.05405  -1.17454
   D82        1.97081   0.00014  -0.03652  -0.03636  -0.07308   1.89773
   D83       -1.53461   0.00005   0.00044   0.00192   0.00244  -1.53217
   D84       -2.60662  -0.00002  -0.00362  -0.00456  -0.00814  -2.61477
   D85       -2.94949  -0.00001   0.00299  -0.00207   0.00097  -2.94852
   D86        0.73211  -0.00002   0.00445  -0.00585  -0.00131   0.73080
   D87        0.30656   0.00000   0.00575  -0.00576   0.00008   0.30664
   D88       -0.06758   0.00001   0.00729  -0.00404   0.00332  -0.06426
   D89       -0.40866   0.00003   0.00872  -0.00441   0.00441  -0.40425
   D90        0.17541  -0.00001   0.00530  -0.00774  -0.00232   0.17309
   D91       -0.06240   0.00002   0.00513  -0.00708  -0.00184  -0.06423
   D92        2.40441   0.00000   0.00128  -0.01263  -0.01128   2.39313
   D93        2.05455  -0.00002   0.00089  -0.01203  -0.01107   2.04347
   D94        1.66095   0.00003   0.00132  -0.01218  -0.01090   1.65005
   D95        1.37297  -0.00003   0.00042  -0.01314  -0.01274   1.36023
   D96        2.05423   0.00001   0.00068  -0.00897  -0.00821   2.04602
   D97       -1.91276  -0.00008   0.00219  -0.01085  -0.00830  -1.92106
   D98       -2.44217   0.00001  -0.00400  -0.02490  -0.02951  -2.47168
   D99       -2.66058   0.00006   0.00387  -0.01605  -0.01211  -2.67269
   D100      -2.98237  -0.00021  -0.00103  -0.01862  -0.01962  -3.00199
   D101      -2.88253  -0.00005  -0.03328  -0.03622  -0.06911  -2.95164
   D102       2.87663   0.00012  -0.03351  -0.02980  -0.06367   2.81296
   D103      -2.91282   0.00009  -0.00076  -0.00675  -0.00745  -2.92028
   D104       1.18596   0.00007  -0.00155  -0.00773  -0.00922   1.17674
   D105       2.80136   0.00001  -0.00304  -0.00489  -0.00790   2.79346
   D106       0.61696  -0.00001  -0.00383  -0.00587  -0.00967   0.60729
   D107       2.30925   0.00001  -0.01015  -0.00681  -0.01694   2.29230
   D108       0.12484  -0.00001  -0.01093  -0.00779  -0.01871   0.10614
   D109       1.75445  -0.00002  -0.01218  -0.01345  -0.02569   1.72876
   D110      -0.42995  -0.00004  -0.01297  -0.01443  -0.02746  -0.45741
   D111       2.57974   0.00002   0.00086  -0.00662  -0.00566   2.57408
   D112       0.39534   0.00000   0.00008  -0.00760  -0.00742   0.38791
   D113       2.24165   0.00002   0.00261  -0.00387  -0.00115   2.24051
   D114       0.05725   0.00000   0.00182  -0.00485  -0.00291   0.05434
   D115      -1.61194   0.00003   0.00058   0.00026   0.00081  -1.61113
   D116       2.48684   0.00001  -0.00020  -0.00072  -0.00095   2.48589
   D117      -1.76901   0.00003  -0.00351  -0.00431  -0.00782  -1.77683
   D118       2.32977   0.00002  -0.00430  -0.00529  -0.00958   2.32019
   D119      -2.73473   0.00002  -0.00013  -0.00055  -0.00066  -2.73539
   D120       1.36405   0.00000  -0.00092  -0.00153  -0.00242   1.36163
   D121      -2.69976   0.00003   0.00019  -0.00310  -0.00291  -2.70267
   D122       1.39903   0.00001  -0.00059  -0.00408  -0.00468   1.39435
   D123       1.31649   0.00002   0.00355   0.00350   0.00714   1.32363
   D124      -0.86792   0.00001   0.00277   0.00252   0.00537  -0.86254
   D125       1.28924   0.00000   0.00276   0.00148   0.00430   1.29354
   D126      -0.89516  -0.00002   0.00197   0.00050   0.00254  -0.89263
   D127       1.64588  -0.00003   0.00260   0.00030   0.00298   1.64886
   D128      -0.53852  -0.00005   0.00182  -0.00068   0.00122  -0.53731
   D129       1.77149  -0.00002   0.00553   0.00434   0.01001   1.78150
   D130      -0.41292  -0.00004   0.00474   0.00336   0.00825  -0.40467
   D131       0.89125  -0.00002   0.00177  -0.00055   0.00127   0.89252
   D132      -1.29316  -0.00004   0.00099  -0.00153  -0.00050  -1.29365
   D133      -0.97032   0.00009   0.01458   0.00670   0.02089  -0.94943
   D134       3.12847   0.00007   0.01379   0.00572   0.01913  -3.13559
   D135      -0.53516  -0.00001   0.00683   0.00862   0.01539  -0.51977
   D136      -2.71956  -0.00002   0.00605   0.00764   0.01363  -2.70593
   D137      -0.23170  -0.00010  -0.00348   0.00620   0.00257  -0.22914
   D138      -2.41611  -0.00012  -0.00426   0.00522   0.00080  -2.41531
   D139       0.17554   0.00019  -0.00325   0.00844   0.00515   0.18069
   D140      -2.00886   0.00018  -0.00403   0.00746   0.00338  -2.00548
   D141      -0.32035   0.00001   0.01188   0.00979   0.02154  -0.29881
   D142      -2.50475  -0.00001   0.01109   0.00881   0.01977  -2.48498
   D143      -0.07631  -0.00007   0.01939  -0.00207   0.01741  -0.05890
   D144      -2.26071  -0.00009   0.01861  -0.00305   0.01565  -2.24506
   D145      -2.48505   0.00003   0.00545  -0.00227   0.00315  -2.48190
   D146      -2.73133  -0.00003   0.00103  -0.00090  -0.00001  -2.73134
   D147      -2.40851   0.00004   0.00151   0.01074   0.01223  -2.39629
   D148       2.99356  -0.00001   0.00220  -0.00130   0.00097   2.99452
   D149       2.61078  -0.00008   0.00079  -0.00230  -0.00130   2.60949
   D150       1.51049   0.00004   0.00662   0.00718   0.01376   1.52425
   D151       2.61289   0.00001   0.00552   0.00484   0.01032   2.62321
   D152       2.98666  -0.00004   0.00508   0.00275   0.00783   2.99449
   D153       1.15979   0.00004   0.01292   0.01372   0.02672   1.18651
   D154       1.23010   0.00001   0.00997   0.00922   0.01925   1.24935
   D155       1.62534  -0.00001   0.00823   0.00692   0.01520   1.64054
   D156       1.70358   0.00000   0.01007   0.01014   0.02027   1.72385
   D157       0.88431  -0.00002   0.00869   0.00637   0.01511   0.89942
   D158      -1.02206   0.00010   0.02616   0.01819   0.04432  -0.97774
   D159      -0.69350   0.00001   0.02147   0.01729   0.03885  -0.65466
   D160      -0.72495  -0.00003   0.01221   0.01154   0.02369  -0.70125
   D161      -0.41877   0.00024   0.01506   0.01574   0.03073  -0.38804
   D162      -0.31828   0.00003   0.02648   0.01394   0.04029  -0.27799
   D163      -0.03881  -0.00008   0.02583   0.01207   0.03805  -0.00077
   D164      -1.29177   0.00007   0.00170  -0.00941  -0.00771  -1.29948
   D165       1.65955   0.00007  -0.00049  -0.00197  -0.00245   1.65710
   D166      -1.65960  -0.00001  -0.00119  -0.00935  -0.01059  -1.67019
   D167       1.29172  -0.00001  -0.00337  -0.00192  -0.00533   1.28639
   D168      -1.73383   0.00001  -0.00466  -0.00609  -0.01078  -1.74461
   D169       1.21750   0.00001  -0.00685   0.00135  -0.00553   1.21197
   D170      -1.99315   0.00000  -0.00197  -0.00439  -0.00622  -1.99936
   D171       0.95817   0.00000  -0.00415   0.00304  -0.00096   0.95722
   D172      -2.01118   0.00000   0.00029  -0.01080  -0.01047  -2.02165
   D173       0.94014   0.00000  -0.00190  -0.00337  -0.00521   0.93493
   D174      -2.31122  -0.00005  -0.00137  -0.01058  -0.01187  -2.32309
   D175       0.64010  -0.00005  -0.00355  -0.00314  -0.00662   0.63349
   D176       1.97744   0.00002   0.00220  -0.00411  -0.00188   1.97556
   D177      -1.35442   0.00002   0.00002   0.00333   0.00338  -1.35104
   D178       0.83183   0.00001   0.00193  -0.00564  -0.00374   0.82809
   D179      -2.50003   0.00001  -0.00025   0.00180   0.00152  -2.49852
   D180       0.37039   0.00004  -0.00036  -0.00815  -0.00851   0.36189
   D181      -2.96147   0.00004  -0.00254  -0.00072  -0.00325  -2.96472
   D182      -3.11348   0.00002   0.00216  -0.00424  -0.00201  -3.11549
   D183      -0.16216   0.00002  -0.00003   0.00320   0.00325  -0.15891
   D184       2.90557  -0.00001   0.00242  -0.00444  -0.00200   2.90357
   D185      -0.42629  -0.00001   0.00024   0.00300   0.00326  -0.42303
   D186       3.06251   0.00000   0.00164  -0.00573  -0.00413   3.05838
   D187      -0.26935  -0.00001  -0.00054   0.00171   0.00113  -0.26822
   D188       2.97070  -0.00003   0.00392  -0.00196   0.00196   2.97267
   D189      -0.36116  -0.00003   0.00174   0.00548   0.00722  -0.35394
   D190       2.45880  -0.00001   0.00313  -0.00426  -0.00110   2.45770
   D191      -0.87306  -0.00001   0.00095   0.00318   0.00416  -0.86890
   D192       0.30557   0.00009   0.02634   0.01122   0.03740   0.34297
   D193      -3.02629   0.00009   0.02415   0.01866   0.04266  -2.98363
   D194       0.61326   0.00001   0.02467   0.01085   0.03555   0.64881
   D195      -2.71860   0.00001   0.02249   0.01829   0.04081  -2.67779
   D196       0.41150  -0.00003   0.02124   0.00640   0.02764   0.43914
   D197      -2.92037  -0.00003   0.01905   0.01384   0.03290  -2.88747
   D198       1.07876   0.00003   0.02484   0.00620   0.03097   1.10973
   D199      -2.25310   0.00003   0.02266   0.01364   0.03622  -2.21688
   D200       1.40861  -0.00009   0.02669  -0.00142   0.02521   1.43381
   D201      -1.92326  -0.00009   0.02450   0.00602   0.03047  -1.89279
   D202       1.61794  -0.00002  -0.00114   0.00622   0.00513   1.62308
   D203      -0.59755   0.00001   0.00007   0.00567   0.00579  -0.59177
   D204       1.68911   0.00000  -0.00048   0.00065   0.00023   1.68934
   D205      -0.52639   0.00003   0.00073   0.00010   0.00088  -0.52550
   D206       1.37243  -0.00005  -0.00431  -0.00856  -0.01294   1.35949
   D207      -0.84307  -0.00002  -0.00310  -0.00912  -0.01229  -0.85536
   D208       1.21609  -0.00008  -0.01370  -0.01778  -0.03154   1.18455
   D209      -0.99941  -0.00005  -0.01249  -0.01833  -0.03089  -1.03030
   D210       2.11900   0.00000   0.00063  -0.00108  -0.00052   2.11848
   D211      -0.09650   0.00003   0.00184  -0.00164   0.00013  -0.09637
   D212       2.23141   0.00010   0.00464   0.00031   0.00494   2.23635
   D213       0.01592   0.00013   0.00585  -0.00024   0.00559   0.02151
   D214      -2.22059  -0.00005  -0.00357  -0.00455  -0.00810  -2.22869
   D215       1.84710  -0.00002  -0.00236  -0.00510  -0.00745   1.83965
   D216      -2.38345  -0.00005  -0.00455  -0.00586  -0.01042  -2.39387
   D217       1.68424  -0.00002  -0.00334  -0.00641  -0.00976   1.67447
   D218      -1.98693  -0.00005  -0.00792  -0.00889  -0.01686  -2.00379
   D219       2.08075  -0.00002  -0.00671  -0.00944  -0.01620   2.06455
   D220      -2.07340  -0.00004  -0.02367  -0.02654  -0.04983  -2.12323
   D221       1.99429  -0.00001  -0.02246  -0.02710  -0.04918   1.94511
   D222      -2.88093  -0.00004  -0.00220  -0.00277  -0.00501  -2.88594
   D223       1.18676   0.00000  -0.00099  -0.00332  -0.00436   1.18240
   D224       3.06277   0.00004   0.00029  -0.00091  -0.00075   3.06202
   D225       0.84727   0.00007   0.00150  -0.00146  -0.00010   0.84718
   D226      -2.71297   0.00001  -0.00140  -0.00007  -0.00134  -2.71431
   D227       1.35472   0.00004  -0.00019  -0.00062  -0.00068   1.35403
   D228      -2.65694   0.00001  -0.00461  -0.00541  -0.00998  -2.66692
   D229       1.41075   0.00005  -0.00340  -0.00596  -0.00933   1.40142
   D230      -1.56712   0.00003  -0.00081   0.00329   0.00252  -1.56460
   D231       2.50057   0.00006   0.00040   0.00274   0.00317   2.50374
   D232      -0.03655  -0.00010  -0.02921  -0.02124  -0.05070  -0.08725
   D233      -2.25205  -0.00006  -0.02800  -0.02179  -0.05005  -2.30210
   D234      -0.17566  -0.00003  -0.02198  -0.01311  -0.03519  -0.21085
   D235      -2.39116   0.00000  -0.02077  -0.01366  -0.03454  -2.42569
   D236       0.09612  -0.00004  -0.01221  -0.00586  -0.01810   0.07802
   D237      -2.11938  -0.00001  -0.01100  -0.00642  -0.01745  -2.13682
   D238      -0.00417  -0.00016  -0.01472  -0.00718  -0.02186  -0.02604
   D239      -2.21967  -0.00013  -0.01351  -0.00773  -0.02121  -2.24088
   D240      -0.56689  -0.00005  -0.02255  -0.00517  -0.02758  -0.59447
   D241      -2.78239  -0.00002  -0.02134  -0.00572  -0.02693  -2.80932
   D242      -0.76463   0.00004  -0.01442  -0.01226  -0.02678  -0.79141
   D243      -2.98013   0.00007  -0.01321  -0.01281  -0.02612  -3.00625
   D244      -2.94180   0.00004   0.01045   0.01734   0.02775  -2.91404
   D245      -0.01437   0.00004   0.00477   0.01182   0.01656   0.00218
   D246      -3.13044   0.00002   0.00986   0.01183   0.02166  -3.10877
   D247      -0.20301   0.00002   0.00418   0.00631   0.01047  -0.19255
   D248       2.77241  -0.00002   0.00593   0.00600   0.01187   2.78428
   D249      -0.58335  -0.00002   0.00024   0.00048   0.00068  -0.58268
   D250       2.53984  -0.00003   0.00134   0.00166   0.00299   2.54283
   D251      -0.81592  -0.00003  -0.00435  -0.00386  -0.00821  -0.82413
   D252      -2.90353   0.00003   0.01116   0.00732   0.01835  -2.88518
   D253       0.02389   0.00003   0.00548   0.00180   0.00715   0.03105
   D254      -3.08161   0.00010   0.01422   0.00874   0.02284  -3.05877
   D255      -0.15419   0.00010   0.00854   0.00322   0.01164  -0.14254
   D256      -0.65853  -0.00004   0.00908   0.00920   0.01825  -0.64028
   D257       2.26889  -0.00004   0.00340   0.00368   0.00706   2.27595
   D258      -0.90401  -0.00001   0.00834   0.00881   0.01709  -0.88692
   D259       2.02341  -0.00001   0.00266   0.00330   0.00589   2.02931
   D260      -0.73909   0.00000   0.00783   0.00920   0.01692  -0.72217
   D261       2.18834   0.00000   0.00214   0.00368   0.00572   2.19406
   D262      -0.93811   0.00003   0.00423   0.00540   0.00959  -0.92852
   D263       1.98931   0.00003  -0.00145  -0.00012  -0.00161   1.98770
   D264      -1.31238   0.00000   0.00858   0.00960   0.01808  -1.29430
   D265       1.61504   0.00000   0.00290   0.00408   0.00689   1.62193
   D266      -1.55273   0.00005   0.00944   0.00929   0.01860  -1.53414
   D267       1.37469   0.00005   0.00376   0.00377   0.00740   1.38209
   D268       1.96804   0.00003   0.00986   0.01247   0.02240   1.99045
   D269      -1.38772   0.00003   0.00418   0.00696   0.01121  -1.37651
   D270       0.84696   0.00000   0.01029   0.01331   0.02365   0.87061
   D271      -2.50880   0.00000   0.00461   0.00779   0.01245  -2.49635
   D272       1.00378  -0.00001  -0.03230  -0.02387  -0.05530   0.94848
   D273      -2.35198  -0.00001  -0.03798  -0.02939  -0.06649  -2.41847
   D274       1.15421  -0.00001  -0.01594  -0.00093  -0.01686   1.13735
   D275      -2.20155  -0.00001  -0.02162  -0.00645  -0.02806  -2.22961
   D276       1.59949  -0.00004  -0.00422   0.00628   0.00188   1.60137
   D277      -1.75627  -0.00004  -0.00991   0.00076  -0.00931  -1.76559
   D278       1.58265  -0.00007  -0.00356   0.00687   0.00329   1.58594
   D279      -1.77311  -0.00007  -0.00924   0.00135  -0.00791  -1.78102
   D280       0.83111  -0.00002  -0.00628   0.01251   0.00618   0.83729
   D281      -2.52465  -0.00002  -0.01196   0.00699  -0.00501  -2.52967
   D282       0.78840   0.00001   0.00786  -0.00149   0.00630   0.79470
   D283      -2.56736   0.00001   0.00218  -0.00701  -0.00489  -2.57225
   D284       1.58602  -0.00004   0.00038   0.01119   0.01167   1.59769
   D285      -2.63415  -0.00003   0.00246   0.01358   0.01612  -2.61803
   D286       1.64508   0.00001   0.00107   0.00372   0.00490   1.64998
   D287      -2.57509   0.00002   0.00315   0.00610   0.00935  -2.56574
   D288       1.33683  -0.00003  -0.00184  -0.00383  -0.00564   1.33119
   D289      -2.88334  -0.00002   0.00024  -0.00144  -0.00119  -2.88453
   D290       1.25291  -0.00004  -0.00853  -0.00917  -0.01775   1.23516
   D291      -2.96727  -0.00003  -0.00645  -0.00678  -0.01330  -2.98056
   D292       2.03890   0.00001   0.00194   0.00023   0.00219   2.04109
   D293      -2.18127   0.00002   0.00402   0.00262   0.00664  -2.17463
   D294       2.01624   0.00009   0.00493   0.00251   0.00748   2.02372
   D295      -2.20393   0.00010   0.00701   0.00490   0.01193  -2.19200
   D296      -2.29235  -0.00004  -0.00346  -0.00218  -0.00564  -2.29799
   D297      -0.22934  -0.00003  -0.00138   0.00020  -0.00119  -0.23052
   D298      -2.26495  -0.00002  -0.00428  -0.00226  -0.00653  -2.27148
   D299      -0.20194  -0.00001  -0.00220   0.00013  -0.00208  -0.20402
   D300      -1.87639  -0.00001  -0.00440  -0.00136  -0.00578  -1.88217
   D301       0.18662   0.00000  -0.00232   0.00102  -0.00132   0.18529
   D302      -1.80848   0.00001  -0.00914  -0.00537  -0.01457  -1.82305
   D303       0.25453   0.00002  -0.00706  -0.00299  -0.01012   0.24442
   D304      -2.61035  -0.00001  -0.00406  -0.00172  -0.00579  -2.61614
   D305      -0.54734   0.00000  -0.00198   0.00067  -0.00134  -0.54868
   D306      -2.73590   0.00004  -0.00345  -0.00354  -0.00704  -2.74294
   D307      -0.67289   0.00005  -0.00137  -0.00116  -0.00259  -0.67548
   D308       1.52048   0.00004   0.00084   0.00681   0.00775   1.52823
   D309      -2.69969   0.00005   0.00292   0.00920   0.01220  -2.68749
   D310       2.62147  -0.00001   0.00051   0.00368   0.00439   2.62585
   D311      -1.59871   0.00000   0.00260   0.00606   0.00884  -1.58987
   D312       3.00595   0.00005  -0.00203  -0.00066  -0.00259   3.00336
   D313      -1.21422   0.00006   0.00005   0.00172   0.00186  -1.21236
   D314      -0.44115  -0.00001  -0.01984  -0.01420  -0.03415  -0.47530
   D315       1.62187   0.00000  -0.01776  -0.01182  -0.02970   1.59217
   D316      -0.28425  -0.00002  -0.01837  -0.00561  -0.02405  -0.30831
   D317       1.77876  -0.00001  -0.01628  -0.00322  -0.01960   1.75916
   D318       0.13719  -0.00007  -0.01391  -0.00104  -0.01504   0.12215
   D319       2.20020  -0.00006  -0.01183   0.00134  -0.01059   2.18962
   D320       0.27025   0.00002  -0.01403   0.00034  -0.01367   0.25658
   D321       2.33326   0.00003  -0.01194   0.00272  -0.00922   2.32405
   D322      -0.53554  -0.00004  -0.01597   0.00280  -0.01317  -0.54870
   D323       1.52748  -0.00003  -0.01389   0.00518  -0.00872   1.51876
   D324      -0.59038   0.00000  -0.00351  -0.01420  -0.01796  -0.60833
   D325       1.47263   0.00001  -0.00142  -0.01181  -0.01350   1.45913
   D326       0.10691  -0.00011  -0.01218   0.02965   0.01735   0.12426
   D327       2.26723  -0.00007   0.00141   0.02085   0.02206   2.28929
   D328       0.41192  -0.00004  -0.01068   0.03367   0.02298   0.43490
   D329       2.57224   0.00000   0.00291   0.02487   0.02769   2.59993
   D330       0.77297  -0.00002  -0.00609   0.03765   0.03176   0.80472
   D331       2.93328   0.00002   0.00750   0.02885   0.03647   2.96976
   D332       1.04957  -0.00001  -0.00374   0.04020   0.03644   1.08600
   D333      -3.07330   0.00003   0.00985   0.03139   0.04115  -3.03215
   D334       0.35422  -0.00002  -0.01270   0.03791   0.02510   0.37932
   D335       2.51454   0.00002   0.00089   0.02910   0.02981   2.54435
   D336       0.73715   0.00003  -0.00302   0.04392   0.04158   0.77873
   D337       2.89747   0.00007   0.01057   0.03512   0.04630   2.94376
   D338      -2.30448  -0.00006  -0.01710   0.03139   0.01464  -2.28985
   D339      -0.14416  -0.00002  -0.00351   0.02259   0.01935  -0.12481
   D340      -1.92854  -0.00006  -0.01616   0.03173   0.01586  -1.91268
   D341       0.23177  -0.00002  -0.00257   0.02293   0.02057   0.25235
   D342      -1.89154  -0.00002  -0.00786   0.03646   0.02888  -1.86266
   D343       0.26877   0.00002   0.00572   0.02765   0.03360   0.30237
   D344      -1.60002  -0.00004  -0.00201   0.04159   0.03963  -1.56039
   D345       0.56029   0.00000   0.01158   0.03278   0.04434   0.60464
   D346      -1.55181  -0.00008  -0.02190   0.02713   0.00544  -1.54637
   D347       0.60851  -0.00004  -0.00831   0.01832   0.01016   0.61866
   D348      -1.25229  -0.00012  -0.02078   0.02811   0.00726  -1.24503
   D349       0.90803  -0.00008  -0.00720   0.01930   0.01198   0.92000
   D350       1.85539  -0.00002   0.00279   0.04415   0.04741   1.90280
   D351      -2.26747   0.00002   0.01638   0.03535   0.05212  -2.21535
   D352       2.28318   0.00001   0.00721   0.04858   0.05590   2.33908
   D353      -1.83969   0.00005   0.02080   0.03978   0.06062  -1.77907
   D354       2.50994  -0.00004   0.02554   0.06466   0.08937   2.59930
   D355      -1.61293   0.00000   0.03913   0.05586   0.09408  -1.51885
   D356      -3.11754  -0.00006   0.00521   0.05223   0.05688  -3.06066
   D357      -0.95722  -0.00002   0.01880   0.04342   0.06160  -0.89562
   D358       2.61957  -0.00006  -0.00460   0.03844   0.03380   2.65337
   D359      -1.50330  -0.00002   0.00899   0.02964   0.03851  -1.46478
   D360       1.65835  -0.00013  -0.02406   0.02288  -0.00073   1.65762
   D361      -2.46451  -0.00009  -0.01047   0.01408   0.00399  -2.46053
   D362       1.82170   0.00006  -0.01260   0.02973   0.01741   1.83911
   D363      -2.30117   0.00010   0.00099   0.02092   0.02212  -2.27904
   D364       2.75932   0.00000  -0.01098   0.01314   0.00205   2.76137
   D365      -1.36355   0.00004   0.00261   0.00434   0.00677  -1.35678
   D366       2.76835  -0.00004  -0.02270   0.03898   0.01624   2.78459
   D367      -1.35451   0.00000  -0.00912   0.03018   0.02095  -1.33356
   D368       0.04772   0.00006   0.01282   0.01593   0.02873   0.07646
   D369      -2.51726  -0.00009   0.00030   0.03778   0.03804  -2.47923
   D370       0.44509   0.00014   0.01473   0.01748   0.03229   0.47738
   D371      -2.11990   0.00000   0.00221   0.03933   0.04159  -2.07831
   D372       0.65328   0.00016   0.01817   0.01479   0.03301   0.68630
   D373      -1.91170   0.00002   0.00565   0.03664   0.04231  -1.86939
   D374       0.92595   0.00017   0.01556   0.01411   0.02954   0.95549
   D375      -1.63904   0.00003   0.00304   0.03596   0.03884  -1.60019
   D376       0.68949   0.00011   0.01318   0.02272   0.03596   0.72544
   D377      -1.87550  -0.00003   0.00067   0.04457   0.04526  -1.83024
   D378       1.02592   0.00016   0.01580   0.02168   0.03754   1.06346
   D379      -1.53907   0.00002   0.00328   0.04353   0.04685  -1.49222
   D380      -2.77006   0.00021   0.01478   0.00956   0.02448  -2.74559
   D381       0.94814   0.00007   0.00226   0.03141   0.03378   0.98192
   D382      -2.20969   0.00019   0.00840   0.00877   0.01732  -2.19236
   D383       1.50852   0.00005  -0.00411   0.03062   0.02663   1.53514
   D384      -1.97631   0.00015   0.00954   0.01223   0.02187  -1.95444
   D385       1.74189   0.00001  -0.00297   0.03409   0.03117   1.77306
   D386      -1.64828   0.00011   0.01088   0.01512   0.02595  -1.62233
   D387       2.06992  -0.00003  -0.00164   0.03697   0.03525   2.10517
   D388      -1.67877   0.00016  -0.00495   0.00434  -0.00060  -1.67936
   D389       2.03943   0.00002  -0.01747   0.02619   0.00871   2.04814
   D390      -1.10354  -0.00002  -0.00634   0.01209   0.00534  -1.09820
   D391       2.61466  -0.00016  -0.01886   0.03394   0.01464   2.62930
   D392       1.78194   0.00012   0.01144   0.01439   0.02587   1.80781
   D393      -0.78304  -0.00002  -0.00108   0.03624   0.03517  -0.74787
   D394       2.07822   0.00015   0.01410   0.01543   0.02958   2.10780
   D395      -0.48677   0.00001   0.00159   0.03728   0.03888  -0.44788
   D396       2.01774   0.00016   0.01966   0.01759   0.03740   2.05514
   D397      -0.54724   0.00001   0.00714   0.03944   0.04670  -0.50054
   D398       2.21321   0.00022   0.02189   0.01390   0.03596   2.24917
   D399      -0.35178   0.00008   0.00937   0.03575   0.04526  -0.30651
   D400       2.48096   0.00013   0.01189   0.01435   0.02622   2.50719
   D401      -0.08402  -0.00001  -0.00063   0.03620   0.03553  -0.04850
   D402      -1.53183   0.00002  -0.01129  -0.00340  -0.01438  -1.54620
   D403       2.18637  -0.00013  -0.02381   0.01845  -0.00507   2.18130
   D404      -2.63231   0.00003  -0.00980   0.00446  -0.00534  -2.63765
   D405       1.08589  -0.00011  -0.02231   0.02631   0.00396   1.08985
   D406      -2.97732   0.00015  -0.01552   0.02214   0.00658  -2.97074
   D407       0.74088   0.00001  -0.02803   0.04400   0.01588   0.75676
   D408       1.89702  -0.00011   0.02776  -0.01066   0.01743   1.91445
   D409       2.38260   0.00000   0.03863  -0.00345   0.03559   2.41819
   D410       2.60922   0.00000   0.03760  -0.00995   0.02758   2.63680
   D411       2.84376   0.00000   0.03219  -0.01387   0.01792   2.86168
   D412       2.79346   0.00003   0.05924   0.01153   0.07059   2.86406
   D413      -3.00551   0.00014   0.06016   0.00136   0.06092  -2.94459
   D414      -0.77629  -0.00001   0.02501  -0.01638   0.00873  -0.76756
   D415      -0.39296  -0.00002   0.02240  -0.01727   0.00517  -0.38779
   D416      -0.08911  -0.00001   0.02825  -0.01425   0.01399  -0.07512
   D417       0.22085  -0.00003   0.02669  -0.01489   0.01161   0.23246
   D418      -0.24939  -0.00002   0.01341  -0.02177  -0.00831  -0.25770
   D419       0.06817  -0.00009   0.00719  -0.02354  -0.01651   0.05166
   D420      -2.59203  -0.00001   0.03050  -0.01151   0.01906  -2.57297
   D421      -2.20954   0.00001   0.03024  -0.01243   0.01792  -2.19163
   D422      -1.97410  -0.00002   0.03530  -0.01349   0.02203  -1.95207
   D423      -1.65851   0.00004   0.03283  -0.01624   0.01689  -1.64162
   D424      -1.98497  -0.00003   0.02382  -0.01408   0.00985  -1.97512
   D425       1.29339   0.00003   0.01900  -0.03791  -0.01935   1.27404
   D426       2.46492  -0.00013   0.00796  -0.01990  -0.01200   2.45293
   D427       2.93382   0.00025   0.01362  -0.01255   0.00114   2.93496
   D428      -3.06487   0.00009  -0.00416   0.00893   0.00472  -3.06015
   D429       0.02573   0.00010  -0.00236   0.01251   0.01011   0.03585
   D430       0.05523  -0.00018  -0.01331  -0.00163  -0.01494   0.04029
   D431      -3.13735  -0.00016  -0.01151   0.00195  -0.00954   3.13629
   D432      -0.06258  -0.00010  -0.03371  -0.02609  -0.05981  -0.12239
   D433       2.03202   0.00000  -0.02867  -0.01531  -0.04394   1.98807
   D434      -2.16351  -0.00016  -0.02942  -0.02565  -0.05516  -2.21867
   D435       3.12738  -0.00011  -0.03545  -0.02958  -0.06502   3.06236
   D436      -1.06121  -0.00001  -0.03041  -0.01880  -0.04916  -1.11036
   D437       1.02645  -0.00017  -0.03116  -0.02915  -0.06037   0.96608
   D438      -2.36061  -0.00004  -0.00536  -0.00512  -0.01029  -2.37089
   D439      -0.27068   0.00000  -0.00511  -0.00377  -0.00893  -0.27961
   D440       1.83795  -0.00003  -0.00586  -0.00523  -0.01103   1.82691
   D441       0.73258  -0.00002  -0.00367  -0.00174  -0.00522   0.72736
   D442       2.82251   0.00002  -0.00342  -0.00038  -0.00386   2.81865
   D443      -1.35205  -0.00002  -0.00417  -0.00184  -0.00597  -1.35802
   D444      -0.00102   0.00001   0.00241   0.00305   0.00547   0.00445
   D445       3.11770  -0.00002  -0.00220   0.00186  -0.00035   3.11736
   D446      -3.11956   0.00001   0.00148   0.00258   0.00409  -3.11547
   D447      -0.00083  -0.00002  -0.00312   0.00139  -0.00173  -0.00256
   D448       2.41322   0.00000   0.01142   0.01295   0.02439   2.43761
   D449      -1.78609   0.00000   0.01179   0.01427   0.02603  -1.76006
   D450       0.32144   0.00000   0.01246   0.01409   0.02653   0.34797
   D451      -0.70659   0.00003   0.01581   0.01412   0.02998  -0.67661
   D452       1.37729   0.00003   0.01618   0.01544   0.03161   1.40890
   D453      -2.79837   0.00003   0.01685   0.01526   0.03212  -2.76626
   D454       2.06488   0.00002   0.00055   0.00465   0.00520   2.07008
   D455      -2.13235  -0.00001  -0.00061   0.00320   0.00261  -2.12974
   D456      -0.03888  -0.00001  -0.00027   0.00444   0.00418  -0.03470
   D457      -1.09844  -0.00001  -0.00385   0.00349  -0.00039  -1.09884
   D458       0.98751  -0.00004  -0.00500   0.00204  -0.00298   0.98453
   D459       3.08098  -0.00004  -0.00467   0.00327  -0.00141   3.07957
   D460      -3.07935  -0.00009  -0.00367   0.00954   0.00584  -3.07352
   D461      -0.02863  -0.00008  -0.00151   0.00269   0.00121  -0.02742
   D462       0.07455  -0.00004  -0.00368   0.00688   0.00319   0.07774
   D463       3.12528  -0.00002  -0.00152   0.00002  -0.00144   3.12384
   D464       1.92856   0.00010   0.01266   0.00692   0.01966   1.94823
   D465      -2.26955   0.00002   0.01103   0.00740   0.01860  -2.25095
   D466      -0.17519  -0.00003   0.01069   0.00467   0.01541  -0.15977
   D467      -1.12599   0.00010   0.01071   0.01388   0.02463  -1.10136
   D468       0.95908   0.00002   0.00909   0.01436   0.02357   0.98265
   D469       3.05344  -0.00003   0.00875   0.01164   0.02038   3.07382
   D470      -1.65145  -0.00002   0.00301   0.01655   0.01954  -1.63192
   D471       0.45239   0.00005   0.00295   0.01803   0.02101   0.47339
   D472       2.54504   0.00002   0.00318   0.01608   0.01930   2.56434
   D473       1.40341  -0.00002   0.00500   0.00960   0.01462   1.41804
   D474      -2.77593   0.00005   0.00494   0.01108   0.01609  -2.75984
   D475      -0.68328   0.00002   0.00517   0.00912   0.01439  -0.66889
   D476       0.01966  -0.00068  -0.01026   0.01164   0.00137   0.02104
   D477      -3.00943  -0.00069  -0.04707   0.03708  -0.01011  -3.01954
   D478       3.12207   0.00010  -0.00018   0.01500   0.01496   3.13704
   D479       0.09298   0.00009  -0.03699   0.04044   0.00348   0.09646
   D480      -0.23979  -0.00070  -0.09382   0.03284  -0.06100  -0.30080
   D481       1.85975   0.00001  -0.08910   0.03517  -0.05370   1.80605
   D482      -2.33998  -0.00017  -0.08610   0.03739  -0.04862  -2.38860
   D483       2.79504  -0.00070  -0.05898   0.00884  -0.05013   2.74491
   D484      -1.38861   0.00001  -0.05426   0.01117  -0.04282  -1.43143
   D485       0.69485  -0.00017  -0.05126   0.01339  -0.03774   0.65711
   D486      -0.14955   0.00013   0.06979  -0.07867  -0.00893  -0.15848
   D487       1.94661   0.00019   0.06876  -0.07897  -0.01032   1.93629
   D488      -2.25272   0.00012   0.06905  -0.08109  -0.01226  -2.26497
   D489       3.09805   0.00013   0.03560  -0.05475  -0.01911   3.07895
   D490      -1.08897   0.00019   0.03456  -0.05505  -0.02050  -1.10947
   D491       0.99488   0.00012   0.03486  -0.05717  -0.02243   0.97245
         Item               Value     Threshold  Converged?
 Maximum Force            0.001538     0.000450     NO 
 RMS     Force            0.000124     0.000300     YES
 Maximum Displacement     0.181140     0.001800     NO 
 RMS     Displacement     0.022846     0.001200     NO 
 Predicted change in Energy=-3.237948D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:25:48 2016, MaxMem=  2952790016 cpu:        10.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.842524   -0.585582    1.663915
      2          6           0       -2.063190    1.093703   -1.375357
      3          8           0       -2.594396    0.110550   -1.919113
      4          7           0       -0.775741    1.151652   -0.935951
      5          1           0       -2.627711    2.022763   -1.160341
      6          6           0       -0.262567    2.318681   -0.215212
      7          1           0       -1.016667    3.117804   -0.220925
      8          1           0       -0.016723    2.047868    0.821813
      9          1           0        0.656876    2.676301   -0.706845
     10          6           0        0.153926    0.032232   -1.107202
     11          1           0        0.712786   -0.119729   -0.171359
     12          1           0       -0.410946   -0.877930   -1.348742
     13          1           0        0.870212    0.249049   -1.916815
     14          6           0       -2.004997   -3.998912    2.597609
     15          8           0       -2.122449   -3.849185    3.825750
     16          7           0       -2.950683   -3.690742    1.669675
     17          1           0       -1.075712   -4.391421    2.138497
     18          6           0       -4.247655   -3.124903    2.050635
     19          1           0       -4.521648   -2.344077    1.325284
     20          1           0       -5.028863   -3.903265    2.046062
     21          1           0       -4.173090   -2.685716    3.053904
     22          6           0       -2.708134   -3.875493    0.239247
     23          1           0       -3.427768   -4.598761   -0.177955
     24          1           0       -2.833831   -2.914777   -0.285478
     25          1           0       -1.684970   -4.243927    0.081852
     26          6           0        1.541909    0.382755    2.612005
     27          8           0        1.374134    1.397241    3.309328
     28          7           0        1.160303   -0.879137    2.947957
     29          1           0        2.026752    0.428182    1.616824
     30          6           0        1.477321   -2.024616    2.095522
     31          1           0        2.211714   -2.683645    2.588600
     32          1           0        0.562535   -2.610716    1.901204
     33          1           0        1.886706   -1.668752    1.140263
     34          6           0        0.519593   -1.157714    4.235514
     35          1           0        1.267689   -1.459843    4.988530
     36          1           0       -0.003600   -0.257924    4.582552
     37          1           0       -0.201500   -1.977795    4.105677
     38          6           0       -4.588885    1.073310    2.921693
     39          8           0       -4.825055    1.597597    1.820238
     40          7           0       -3.523425    1.354863    3.721698
     41          1           0       -5.238367    0.283856    3.349432
     42          6           0       -2.525297    2.366192    3.351433
     43          1           0       -2.607088    2.582616    2.278467
     44          1           0       -2.696296    3.284721    3.936762
     45          1           0       -1.520566    1.971909    3.571941
     46          6           0       -3.245006    0.580709    4.932329
     47          1           0       -4.084300   -0.095585    5.145270
     48          1           0       -2.325668   -0.012384    4.782160
     49          1           0       -3.092370    1.258106    5.787552
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.479348   0.000000
     3  O    3.726661   1.242756   0.000000
     4  N    3.303833   1.361602   2.314737   0.000000
     5  H    3.923825   1.108183   2.057525   2.058878   0.000000
     6  C    3.802910   2.467539   3.635457   1.464502   2.564126
     7  H    4.236712   2.554390   3.796927   2.105958   2.162656
     8  H    3.313268   3.150558   4.232054   2.114012   3.278235
     9  H    4.744195   3.217186   4.315490   2.104623   3.379540
    10  C    3.470821   2.472697   2.866811   1.465166   3.420899
    11  H    3.180387   3.260072   3.747683   2.101601   4.089900
    12  H    3.348281   2.572539   2.463711   2.103016   3.655621
    13  H    4.569154   3.100236   3.467376   2.118006   3.994219
    14  C    3.542458   6.459302   6.134806   6.365959   7.125345
    15  O    3.924665   7.175456   6.993260   7.035325   7.719855
    16  N    3.296979   5.740277   5.239863   5.913412   6.384156
    17  H    3.911219   6.588540   6.248067   6.345697   7.377858
    18  C    3.518858   5.857128   5.381479   6.266004   6.279574
    19  H    3.222527   5.015558   4.501734   5.600458   5.369788
    20  H    4.615822   6.743220   6.144913   7.248009   7.152926
    21  H    3.431351   6.193064   5.919652   6.495100   6.505216
    22  C    3.688153   5.264580   4.534312   5.512479   6.062569
    23  H    4.691598   5.974947   5.089573   6.377700   6.741644
    24  H    3.194992   4.224883   3.446548   4.603769   5.018682
    25  H    3.988889   5.545882   4.877744   5.565510   6.457802
    26  C    3.645674   5.422291   6.141184   4.307052   5.857128
    27  O    4.121390   5.818385   6.688902   4.764942   6.031914
    28  N    3.279011   5.742303   6.226204   4.791358   6.296681
    29  H    4.000154   5.111134   5.827414   3.859280   5.649722
    30  C    3.643965   5.857144   6.103697   4.935058   6.620666
    31  H    4.657656   6.946663   7.157214   6.004737   7.721715
    32  H    3.153059   5.599375   5.653877   4.898555   6.404674
    33  H    3.918499   5.437020   5.710165   4.399315   6.268974
    34  C    3.538370   6.574308   7.013193   5.809916   7.009723
    35  H    4.635820   7.623281   8.068294   6.789329   8.069158
    36  H    3.465175   6.447130   7.008541   5.747781   6.713293
    37  H    3.254754   6.552994   6.810671   5.961645   7.044282
    38  C    3.446219   4.984394   5.323373   5.424723   4.627165
    39  O    3.699486   4.253661   4.601076   4.918576   3.727323
    40  N    3.290171   5.308527   5.850655   5.411539   5.008263
    41  H    3.889555   5.749890   5.897303   6.247608   5.493393
    42  C    3.467977   4.916840   5.733355   4.787245   4.525985
    43  H    3.316581   3.982853   4.871443   3.966607   3.484144
    44  H    4.568807   5.781002   6.661608   5.655249   5.251447
    45  H    3.207020   5.053854   5.896562   4.642055   4.860334
    46  C    3.742956   6.437916   6.898305   6.392180   6.291359
    47  H    4.169591   6.929492   7.222729   7.034444   6.809535
    48  H    3.207091   6.261576   6.707786   6.037719   6.288590
    49  H    4.686756   7.238336   7.807532   7.112215   7.005271
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098771   0.000000
     8  H    1.099637   1.797763   0.000000
     9  H    1.102258   1.797718   1.784786   0.000000
    10  C    2.489370   3.417094   2.795177   2.721094   0.000000
    11  H    2.626610   3.670843   2.493402   2.847395   1.100554
    12  H    3.394882   4.195802   3.664289   3.766276   1.098096
    13  H    2.908955   3.829636   3.394480   2.720496   1.102519
    14  C    7.131620   7.718068   6.608346   7.909707   5.885294
    15  O    7.604676   8.132482   6.944995   8.417306   6.676922
    16  N    6.847768   7.326055   6.500665   7.694256   5.586607
    17  H    7.157277   7.871392   6.657293   7.813484   5.622746
    18  C    7.116712   7.387196   6.794730   8.081590   6.270036
    19  H    6.500324   6.671417   6.311657   7.493388   5.781421
    20  H    8.157422   8.398354   7.876314   9.121229   7.231356
    21  H    7.143059   7.373490   6.683146   8.137754   6.589773
    22  C    6.674962   7.209648   6.532173   7.425927   5.027387
    23  H    7.607291   8.084592   7.537403   8.360059   5.927742
    24  H    5.831416   6.300657   5.812920   6.604751   4.276304
    25  H    6.721555   7.398202   6.551128   7.348187   4.804261
    26  C    3.872609   4.695987   2.899435   4.130182   3.985206
    27  O    3.993773   4.597712   2.923274   4.275523   4.780994
    28  N    4.717651   5.545858   3.804370   5.123686   4.276412
    29  H    3.488742   4.458002   2.726025   3.511415   3.329350
    30  C    5.218326   6.166878   4.521021   5.533987   4.029819
    31  H    6.245534   7.209209   5.520389   6.481243   5.026872
    32  H    5.427610   6.309774   4.816952   5.896047   4.025250
    33  H    4.728246   5.761383   4.187806   4.878912   3.308621
    34  C    5.701409   6.363961   4.713465   6.256632   5.485828
    35  H    6.610436   7.301476   5.596006   7.065273   6.373751
    36  H    5.452017   5.957787   4.411349   6.084704   5.699325
    37  H    6.093728   6.734175   5.198449   6.749651   5.598272
    38  C    5.487088   5.178488   5.124834   6.576768   6.309524
    39  O    5.047703   4.580523   4.931496   6.131992   5.984190
    40  N    5.202057   4.993603   4.602884   6.231622   6.212129
    41  H    6.450254   6.213007   6.063510   7.545268   7.000123
    42  C    4.224117   3.950016   3.576766   5.166432   5.701319
    43  H    3.432910   3.010452   3.019567   4.424288   5.058697
    44  H    4.908681   4.487245   4.291016   5.759949   6.644097
    45  H    4.005663   3.994098   3.135365   4.852363   5.334852
    46  C    6.197795   6.161036   5.428693   7.170528   6.951943
    47  H    7.012067   6.966511   6.311248   8.025544   7.554621
    48  H    5.887612   6.045032   5.025954   6.801013   6.390224
    49  H    6.720549   6.623353   5.894225   7.631862   7.718733
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795514   0.000000
    13  H    1.790921   1.798375   0.000000
    14  C    5.486492   5.277804   6.833156   0.000000
    15  O    6.158269   6.207493   7.663458   1.242797   0.000000
    16  N    5.437145   4.844896   6.556226   1.360277   2.315110
    17  H    5.175086   4.994734   6.462672   1.108339   2.058276
    18  C    6.210822   5.596873   7.301833   2.468317   2.862188
    19  H    5.881069   5.118386   6.804973   3.269682   3.778073
    20  H    7.224863   6.480934   8.230746   3.075244   3.408440
    21  H    6.392058   6.066722   7.665232   2.575523   2.480833
    22  C    5.096769   4.096848   5.870690   2.464043   3.634106
    23  H    6.099669   4.931181   6.708020   3.176138   4.277310
    24  H    4.517057   3.339109   5.137215   3.189750   4.275673
    25  H    4.777276   3.872941   5.541702   2.547839   3.789985
    26  C    2.947380   4.592437   4.580313   5.637353   5.728002
    27  O    3.854058   5.482748   5.374464   6.406523   6.325959
    28  N    3.241466   4.574980   5.002296   4.458124   4.513111
    29  H    2.285675   4.054982   3.722403   6.067627   6.355398
    30  C    3.058081   4.091869   4.651557   4.034412   4.391024
    31  H    4.054359   5.063755   5.540676   4.417087   4.655533
    32  H    3.243934   3.809508   4.780187   3.000715   3.528005
    33  H    2.344763   3.478469   3.749260   4.764331   5.295229
    34  C    4.531586   5.668165   6.320845   4.138683   3.793719
    35  H    5.359877   6.581599   7.124752   4.782661   4.307441
    36  H    4.809571   5.977506   6.577411   4.684077   4.237855
    37  H    4.751986   5.568147   6.509825   3.100288   2.696387
    38  C    6.252842   6.284833   7.341137   5.701662   5.579569
    39  O    6.130527   5.971183   6.944077   6.314900   6.402624
    40  N    5.939344   6.354703   7.233236   5.677334   5.390332
    41  H    6.926404   6.835684   8.065314   5.418674   5.197869
    42  C    5.392129   6.089865   6.615604   6.430670   6.246453
    43  H    4.932128   5.473122   5.927693   6.616713   6.633025
    44  H    6.331570   7.105423   7.496642   7.437912   7.157809
    45  H    4.834781   5.793613   6.229808   6.069160   5.857629
    46  C    6.496335   7.043534   7.997237   5.287862   4.701980
    47  H    7.160947   7.501852   8.633597   5.103924   4.436158
    48  H    5.812149   6.480994   7.426861   4.557137   3.959426
    49  H    7.203212   7.917030   8.722243   6.244547   5.556422
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.055787   0.000000
    18  C    1.465414   3.416578   0.000000
    19  H    2.097627   4.089914   1.100406   0.000000
    20  H    2.122655   3.984249   1.102794   1.791048   0.000000
    21  H    2.102485   3.652553   1.097723   1.796200   1.797365
    22  C    1.462562   2.556978   2.492917   2.610276   2.941281
    23  H    2.113255   3.307734   2.794831   2.922310   2.827272
    24  H    2.106752   3.338729   2.738700   2.401870   3.351321
    25  H    2.104573   2.150056   3.419894   3.633496   3.893044
    26  C    6.137161   5.465245   6.792485   6.771852   7.865450
    27  O    6.876051   6.393840   7.323838   7.259073   8.407709
    28  N    5.141920   4.241595   5.924075   6.087995   6.947269
    29  H    6.460897   5.755519   7.223627   7.117018   8.290198
    30  C    4.750215   3.481608   5.829923   6.056645   6.772164
    31  H    5.339383   3.731791   6.496735   6.859259   7.362594
    32  H    3.682766   2.431270   4.839901   5.123640   5.740680
    33  H    5.269635   4.145518   6.370207   6.446495   7.323839
    34  C    5.004256   4.171252   5.600910   5.940624   6.566363
    35  H    5.812605   4.712575   6.467045   6.907797   7.367157
    36  H    5.380928   4.920225   5.713333   5.947653   6.706382
    37  H    4.052937   3.234136   4.680857   5.150575   5.590428
    38  C    5.191093   6.543627   4.301183   3.772477   5.072141
    39  O    5.612706   7.072990   4.763243   3.984198   5.509267
    40  N    5.476948   6.443415   4.835832   4.519006   5.720316
    41  H    4.883902   6.375913   3.779950   3.393654   4.390290
    42  C    6.300453   7.016968   5.900061   5.502484   6.875895
    43  H    6.312187   7.141561   5.942991   5.370885   6.927168
    44  H    7.339038   8.048801   6.859116   6.468006   7.789914
    45  H    6.142431   6.537937   5.977364   5.716790   7.011000
    46  C    5.383013   6.101918   4.800108   4.816115   5.623052
    47  H    5.127377   6.045369   4.333615   4.454130   4.999572
    48  H    4.858860   5.265672   4.565418   4.712654   5.471056
    49  H    6.439571   7.021372   5.874521   5.910194   6.662470
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388799   0.000000
    23  H    3.828858   1.102292   0.000000
    24  H    3.605213   1.101867   1.788890   0.000000
    25  H    4.177542   1.098809   1.797429   1.794841   0.000000
    26  C    6.501692   6.467265   7.569483   6.198082   6.182282
    27  O    6.892566   7.341119   8.436317   7.015917   7.183140
    28  N    5.632054   5.592859   6.682614   5.527390   5.256611
    29  H    7.085167   6.545111   7.631722   6.198337   6.161301
    30  C    5.769116   4.938577   5.987890   5.004756   4.356639
    31  H    6.401737   5.580759   6.566983   5.811306   4.889010
    32  H    4.874473   3.880598   4.919120   4.050843   3.320949
    33  H    6.435633   5.176301   6.210176   5.086137   4.528646
    34  C    5.074669   5.811601   6.848444   5.896787   5.624743
    35  H    5.903187   6.648175   7.654586   6.837723   6.367481
    36  H    5.061183   6.266227   7.295904   6.226298   6.242718
    37  H    4.169041   4.983348   5.968901   5.204743   4.850486
    38  C    3.784263   5.934930   6.567222   5.410268   6.691071
    39  O    4.504860   6.077467   6.658832   5.362885   6.856058
    40  N    4.146601   6.336307   7.117730   5.896001   6.926388
    41  H    3.168676   5.777154   6.289727   5.406072   6.618498
    42  C    5.322172   6.976945   7.860127   6.419575   7.422263
    43  H    5.550585   6.773168   7.634115   6.070136   7.230291
    44  H    6.213411   8.058562   8.922737   7.501999   8.518430
    45  H    5.384953   6.834418   7.802105   6.362707   7.130524
    46  C    3.880639   6.493920   7.278415   6.293886   7.016977
    47  H    3.330236   6.344336   7.003310   6.245361   6.971637
    48  H    3.680562   5.975613   6.844868   5.862002   6.356835
    49  H    4.918792   7.568696   8.366759   7.373024   8.050351
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242413   0.000000
    28  N    1.360462   2.314780   0.000000
    29  H    1.107935   2.056588   2.057116   0.000000
    30  C    2.462998   3.632228   1.462624   2.558758   0.000000
    31  H    3.138789   4.227839   2.119164   3.265276   1.103077
    32  H    3.228820   4.324954   2.109831   3.385218   1.103679
    33  H    2.548253   3.790500   2.102121   2.154961   1.098524
    34  C    2.460479   2.848834   1.464896   3.412350   2.499666
    35  H    3.019642   3.315717   2.124309   3.938174   2.955066
    36  H    2.584980   2.501764   2.100589   3.659045   3.391113
    37  H    3.292830   3.808893   2.098065   4.116822   2.619420
    38  C    6.177330   5.984378   6.071730   6.773885   6.861382
    39  O    6.530005   6.378673   6.574988   6.953859   7.274349
    40  N    5.275795   4.915071   5.246593   6.007802   6.250823
    41  H    6.820976   6.705699   6.515881   7.470254   7.211227
    42  C    4.585078   4.018234   4.927332   5.242700   6.072682
    43  H    4.707952   4.279943   5.159960   5.152846   6.159745
    44  H    5.304598   4.530414   5.760972   5.987412   6.999879
    45  H    3.581290   2.962853   3.962938   4.334632   5.209545
    46  C    5.323311   4.963598   5.047339   6.229548   6.093896
    47  H    6.188737   5.949261   5.740034   7.075960   6.629763
    48  H    4.452399   4.224312   4.033306   5.399723   5.072458
    49  H    5.685673   5.109854   5.542232   6.655009   6.729743
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788191   0.000000
    33  H    1.798143   1.794368   0.000000
    34  C    2.811417   2.749921   3.422096   0.000000
    35  H    2.854565   3.369471   3.903330   1.103613   0.000000
    36  H    3.842861   3.611892   4.172894   1.097173   1.795997
    37  H    2.936554   2.417445   3.640027   1.099712   1.790592
    38  C    7.776491   6.414871   7.254356   5.727141   6.707320
    39  O    8.272578   6.836854   7.495275   6.480013   7.517150
    40  N    7.105300   5.977883   6.713835   4.787802   5.699316
    41  H    8.055348   6.642768   7.711016   6.001447   6.932236
    42  C    6.965777   6.033861   6.374624   4.740345   5.630753
    43  H    7.144967   6.095862   6.289979   5.253212   6.220917
    44  H    7.843947   7.037020   7.304876   5.492397   6.271386
    45  H    6.047401   5.303878   5.547701   3.794354   4.643061
    46  C    6.776789   5.819818   6.765672   4.204744   4.952921
    47  H    7.271479   6.200235   7.359881   4.811611   5.525355
    48  H    5.703962   4.836626   5.809567   3.115464   3.879426
    49  H    7.341935   6.590130   7.413164   4.614248   5.199596
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795697   0.000000
    38  C    5.055242   5.473592   0.000000
    39  O    5.858307   6.275661   1.242520   0.000000
    40  N    3.966272   4.721147   1.361795   2.317048   0.000000
    41  H    5.405265   5.572880   1.108163   2.057955   2.055886
    42  C    3.841952   4.983888   2.472774   2.867783   1.468380
    43  H    4.489501   5.470183   2.572793   2.469740   2.104749
    44  H    4.496442   5.826372   3.082628   3.443497   2.110627
    45  H    2.880048   4.198211   3.262649   3.758752   2.101098
    46  C    3.366357   4.061062   2.468061   3.635344   1.463714
    47  H    4.122513   4.438423   2.562268   3.804132   2.108302
    48  H    2.343530   2.971962   3.124455   4.196660   2.104416
    49  H    3.645665   4.653696   3.238341   4.342468   2.112563
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420069   0.000000
    43  H    3.654435   1.097627   0.000000
    44  H    3.976465   1.102518   1.803011   0.000000
    45  H    4.089141   1.101620   1.796264   1.799697   0.000000
    46  C    2.562650   2.491016   3.384901   2.933243   2.599959
    47  H    2.168151   3.421795   4.192073   3.848833   3.650017
    48  H    3.259491   2.782886   3.616864   3.423882   2.459723
    49  H    3.391002   2.735708   3.781997   2.772989   2.808739
                   46         47         48         49
    46  C    0.000000
    47  H    1.098696   0.000000
    48  H    1.104306   1.797653   0.000000
    49  H    1.101621   1.796922   1.792426   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2149598      0.1946249      0.1864857
 Leave Link  202 at Mon Nov 14 03:25:48 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.7376673877 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1849563534 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.5527110342 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4039
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.72D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     234
 GePol: Fraction of low-weight points (<1% of avg)   =       5.79%
 GePol: Cavity surface area                          =    465.861 Ang**2
 GePol: Cavity volume                                =    457.750 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039261367 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.5487848976 Hartrees.
 Leave Link  301 at Mon Nov 14 03:25:48 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11994 LenP2D=   37537.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.43D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:25:50 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:25:50 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.007409    0.016216   -0.010525
         Rot=    1.000000   -0.000395   -0.000276   -0.000350 Ang=  -0.07 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50846452578    
 Leave Link  401 at Mon Nov 14 03:25:57 2016, MaxMem=  2952790016 cpu:        79.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48940563.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for    163.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.89D-15 for   1909    991.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.99D-15 for   3719.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.64D-08 for   4003   2193.
 Iteration    2 A*A^-1 deviation from unit magnitude is 8.88D-15 for   1901.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.11D-14 for   1907    707.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for    222.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.89D-16 for   1806   1785.
 E= -1013.44614091290    
 DIIS: error= 1.51D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44614091290     IErMin= 1 ErrMin= 1.51D-03
 ErrMax= 1.51D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-03 BMatP= 3.10D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.51D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 GapD=    0.327 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.14D-04 MaxDP=8.89D-03              OVMax= 1.27D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.14D-04    CP:  1.00D+00
 E= -1013.45107534842     Delta-E=       -0.004934435517 Rises=F Damp=F
 DIIS: error= 1.88D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45107534842     IErMin= 2 ErrMin= 1.88D-04
 ErrMax= 1.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-05 BMatP= 3.10D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.88D-03
 Coeff-Com:  0.295D-01 0.970D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.295D-01 0.971D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=7.00D-05 MaxDP=4.18D-03 DE=-4.93D-03 OVMax= 5.38D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.86D-05    CP:  1.00D+00  9.60D-01
 E= -1013.45086257467     Delta-E=        0.000212773747 Rises=F Damp=F
 DIIS: error= 5.94D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45107534842     IErMin= 2 ErrMin= 1.88D-04
 ErrMax= 5.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-04 BMatP= 6.46D-05
 IDIUse=3 WtCom= 2.91D-01 WtEn= 7.09D-01
 Coeff-Com:  0.497D-02 0.702D+00 0.293D+00
 Coeff-En:   0.000D+00 0.781D+00 0.219D+00
 Coeff:      0.145D-02 0.758D+00 0.240D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=4.03D-05 MaxDP=2.81D-03 DE= 2.13D-04 OVMax= 3.97D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.87D-05    CP:  1.00D+00  9.70D-01  4.84D-01
 E= -1013.45112758413     Delta-E=       -0.000265009459 Rises=F Damp=F
 DIIS: error= 5.44D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45112758413     IErMin= 4 ErrMin= 5.44D-05
 ErrMax= 5.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-06 BMatP= 6.46D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.154D-03 0.280D+00 0.528D-01 0.667D+00
 Coeff:      0.154D-03 0.280D+00 0.528D-01 0.667D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.65D-06 MaxDP=5.52D-04 DE=-2.65D-04 OVMax= 6.39D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.56D-06    CP:  1.00D+00  9.75D-01  3.94D-01  7.53D-01
 E= -1013.45113123696     Delta-E=       -0.000003652833 Rises=F Damp=F
 DIIS: error= 5.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45113123696     IErMin= 5 ErrMin= 5.05D-05
 ErrMax= 5.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-06 BMatP= 5.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.724D-05 0.147D+00 0.171D-01 0.450D+00 0.387D+00
 Coeff:     -0.724D-05 0.147D+00 0.171D-01 0.450D+00 0.387D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.88D-06 MaxDP=2.22D-04 DE=-3.65D-06 OVMax= 2.97D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.71D-06    CP:  1.00D+00  9.76D-01  3.86D-01  7.65D-01  6.00D-01
 E= -1013.45113246208     Delta-E=       -0.000001225114 Rises=F Damp=F
 DIIS: error= 4.11D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45113246208     IErMin= 6 ErrMin= 4.11D-06
 ErrMax= 4.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-08 BMatP= 1.38D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.230D-04 0.487D-01 0.465D-02 0.160D+00 0.167D+00 0.620D+00
 Coeff:     -0.230D-04 0.487D-01 0.465D-02 0.160D+00 0.167D+00 0.620D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.77D-07 MaxDP=1.80D-05 DE=-1.23D-06 OVMax= 2.86D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.05D-07    CP:  1.00D+00  9.76D-01  3.87D-01  7.73D-01  6.03D-01
                    CP:  8.87D-01
 E= -1013.45113247451     Delta-E=       -0.000000012432 Rises=F Damp=F
 DIIS: error= 1.22D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45113247451     IErMin= 7 ErrMin= 1.22D-06
 ErrMax= 1.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-09 BMatP= 1.64D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.140D-04 0.127D-01 0.984D-03 0.449D-01 0.547D-01 0.350D+00
 Coeff-Com:  0.537D+00
 Coeff:     -0.140D-04 0.127D-01 0.984D-03 0.449D-01 0.547D-01 0.350D+00
 Coeff:      0.537D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.68D-07 MaxDP=7.53D-06 DE=-1.24D-08 OVMax= 9.36D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.32D-07    CP:  1.00D+00  9.76D-01  3.87D-01  7.73D-01  6.01D-01
                    CP:  8.91D-01  7.46D-01
 E= -1013.45113247690     Delta-E=       -0.000000002389 Rises=F Damp=F
 DIIS: error= 8.50D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45113247690     IErMin= 8 ErrMin= 8.50D-07
 ErrMax= 8.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.35D-10 BMatP= 3.19D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.945D-05 0.556D-02 0.420D-03 0.203D-01 0.265D-01 0.199D+00
 Coeff-Com:  0.371D+00 0.378D+00
 Coeff:     -0.945D-05 0.556D-02 0.420D-03 0.203D-01 0.265D-01 0.199D+00
 Coeff:      0.371D+00 0.378D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.33D-08 MaxDP=4.51D-06 DE=-2.39D-09 OVMax= 7.41D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.50D-08    CP:  1.00D+00  9.76D-01  3.87D-01  7.73D-01  6.02D-01
                    CP:  8.91D-01  7.48D-01  6.13D-01
 E= -1013.45113247736     Delta-E=       -0.000000000465 Rises=F Damp=F
 DIIS: error= 3.38D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45113247736     IErMin= 9 ErrMin= 3.38D-07
 ErrMax= 3.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-10 BMatP= 6.35D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.336D-05 0.833D-03 0.829D-04 0.342D-02 0.564D-02 0.591D-01
 Coeff-Com:  0.140D+00 0.295D+00 0.496D+00
 Coeff:     -0.336D-05 0.833D-03 0.829D-04 0.342D-02 0.564D-02 0.591D-01
 Coeff:      0.140D+00 0.295D+00 0.496D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.37D-08 MaxDP=1.57D-06 DE=-4.65D-10 OVMax= 2.62D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.88D-08    CP:  1.00D+00  9.76D-01  3.87D-01  7.73D-01  6.02D-01
                    CP:  8.94D-01  7.42D-01  6.63D-01  5.95D-01
 E= -1013.45113247749     Delta-E=       -0.000000000124 Rises=F Damp=F
 DIIS: error= 4.23D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45113247749     IErMin=10 ErrMin= 4.23D-08
 ErrMax= 4.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-12 BMatP= 1.10D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.100D-05 0.127D-03 0.253D-04 0.617D-03 0.137D-02 0.175D-01
 Coeff-Com:  0.470D-01 0.116D+00 0.230D+00 0.587D+00
 Coeff:     -0.100D-05 0.127D-03 0.253D-04 0.617D-03 0.137D-02 0.175D-01
 Coeff:      0.470D-01 0.116D+00 0.230D+00 0.587D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.28D-09 MaxDP=2.48D-07 DE=-1.24D-10 OVMax= 3.02D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45113248     A.U. after   10 cycles
            NFock= 10  Conv=0.63D-08     -V/T= 2.0213
 KE= 9.923592610352D+02 PE=-6.034695510450D+03 EE= 2.177336332039D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.46
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:27:58 2016, MaxMem=  2952790016 cpu:      1396.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11994 LenP2D=   37537.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 03:28:06 2016, MaxMem=  2952790016 cpu:        97.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:28:06 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:28:43 2016, MaxMem=  2952790016 cpu:       442.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.32040297D+00-2.42972750D+00 3.37384711D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.001798977   -0.001059666   -0.000408802
      2        6           0.000911573   -0.000486459    0.001141621
      3        8          -0.000392501   -0.000194124   -0.000788876
      4        7          -0.000219502    0.000947569    0.000489346
      5        1           0.000180244    0.000383612   -0.000289083
      6        6           0.000883943   -0.000087716   -0.002492536
      7        1           0.000057905   -0.000011373    0.000285826
      8        1          -0.000509440   -0.000650690    0.001414489
      9        1          -0.000296851    0.000781882   -0.000045742
     10        6          -0.000668078   -0.000153594   -0.000323127
     11        1          -0.000231317   -0.000014033    0.000212559
     12        1          -0.000061643    0.000237953    0.000090763
     13        1           0.000100859   -0.000036330    0.000025328
     14        6           0.000231564   -0.000236562   -0.000097193
     15        8           0.000067861    0.000048227    0.000298959
     16        7          -0.000031834    0.000112838    0.000209916
     17        1           0.000005861   -0.000053871    0.000173874
     18        6           0.000241446   -0.000494700    0.000311190
     19        1          -0.000136272    0.000500861   -0.000483504
     20        1           0.000000302    0.000000134   -0.000100557
     21        1          -0.000127892   -0.000100729   -0.000021372
     22        6          -0.000344696   -0.000188068   -0.000252812
     23        1           0.000097306   -0.000079258   -0.000176948
     24        1          -0.000008673    0.000471167   -0.000168759
     25        1           0.000049292    0.000028270    0.000015999
     26        6           0.000839859    0.000442353   -0.000053339
     27        8          -0.000374784    0.000288988    0.000187326
     28        7           0.000542891    0.000092265    0.000259753
     29        1          -0.000041980    0.000010921    0.000090443
     30        6          -0.001461134   -0.001004902   -0.000530327
     31        1           0.000025913    0.000375649    0.000301411
     32        1           0.000844193    0.000391273    0.000330797
     33        1           0.000018081   -0.000128181   -0.000001893
     34        6          -0.000292021   -0.000750353    0.000025996
     35        1           0.000031788    0.000069532   -0.000136348
     36        1          -0.000020334    0.000126187    0.000004694
     37        1          -0.000000951    0.000000529   -0.000059091
     38        6          -0.000110347    0.000009738    0.002591250
     39        8          -0.000242014    0.000728731   -0.000746916
     40        7          -0.000862761    0.000714857   -0.000987842
     41        1          -0.000274094   -0.000380327   -0.000209812
     42        6          -0.001537380   -0.002170907    0.001086132
     43        1          -0.000141572    0.000816556    0.000255853
     44        1           0.001661846    0.000484734   -0.000783556
     45        1          -0.000550001    0.000952936    0.000122908
     46        6           0.000916451   -0.000653239   -0.001113587
     47        1          -0.000051370   -0.000066681   -0.000246668
     48        1          -0.000307225   -0.000131278    0.000795227
     49        1          -0.000211488    0.000115277   -0.000202969
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002591250 RMS     0.000620902
 Leave Link  716 at Mon Nov 14 03:28:43 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001156385 RMS     0.000142544
 Search for a local minimum.
 Step number  73 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .14254D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   71   72   73
 DE= -9.16D-06 DEPred=-3.24D-04 R= 2.83D-02
 Trust test= 2.83D-02 RLast= 6.72D-01 DXMaxT set to 6.35D-02
 ITU= -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1
 ITU=  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00002   0.00007   0.00031   0.00070   0.00095
     Eigenvalues ---    0.00139   0.00195   0.00248   0.00348   0.00381
     Eigenvalues ---    0.00406   0.00491   0.00552   0.00689   0.00713
     Eigenvalues ---    0.00720   0.00832   0.00877   0.00996   0.01024
     Eigenvalues ---    0.01062   0.01112   0.01173   0.01225   0.01286
     Eigenvalues ---    0.01307   0.01479   0.01514   0.01588   0.01652
     Eigenvalues ---    0.01681   0.01731   0.01795   0.01832   0.01883
     Eigenvalues ---    0.01909   0.02004   0.02106   0.02154   0.02175
     Eigenvalues ---    0.02282   0.02411   0.02563   0.02776   0.03027
     Eigenvalues ---    0.03066   0.03648   0.03947   0.04237   0.04341
     Eigenvalues ---    0.04566   0.05181   0.05413   0.05742   0.05950
     Eigenvalues ---    0.06252   0.06299   0.06342   0.06616   0.06858
     Eigenvalues ---    0.07019   0.07253   0.07342   0.07878   0.08042
     Eigenvalues ---    0.08063   0.08143   0.08245   0.08250   0.08439
     Eigenvalues ---    0.08675   0.08754   0.08948   0.09105   0.09337
     Eigenvalues ---    0.09593   0.09608   0.09790   0.09902   0.10054
     Eigenvalues ---    0.10188   0.10441   0.10493   0.10746   0.10844
     Eigenvalues ---    0.11218   0.11291   0.11409   0.11682   0.13141
     Eigenvalues ---    0.13391   0.14076   0.14672   0.14955   0.15231
     Eigenvalues ---    0.15596   0.15965   0.19289   0.22073   0.22238
     Eigenvalues ---    0.23502   0.23767   0.24794   0.25587   0.25877
     Eigenvalues ---    0.26925   0.27576   0.27935   0.29084   0.29487
     Eigenvalues ---    0.29890   0.30385   0.32761   0.32804   0.32821
     Eigenvalues ---    0.32845   0.33298   0.33347   0.33359   0.33374
     Eigenvalues ---    0.33394   0.33422   0.33425   0.33495   0.33689
     Eigenvalues ---    0.33790   0.33808   0.33832   0.33919   0.33940
     Eigenvalues ---    0.34018   0.34112   0.34170   0.37267   0.38908
     Eigenvalues ---    0.40525   0.40969   0.85900   0.85977   0.86244
     Eigenvalues ---    0.88119
 Eigenvalue     1 is   1.71D-05 Eigenvector:
                         D407      D405      D403      D391      D397
   1                   -0.16958  -0.16536  -0.14933  -0.13516  -0.12803
                         D377      D379      D395      D401      D387
   1                   -0.12322  -0.12241  -0.11851  -0.11678  -0.11393
 Eigenvalue     2 is   7.12D-05 Eigenvector:
                         D375      D389      D383      D381      D373
   1                   -0.18499  -0.18209  -0.18110  -0.18079  -0.16951
                         D369      D393      D371      D385      D401
   1                   -0.16127  -0.16083  -0.16055  -0.15991  -0.15828
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    73   72   71   70   69
 RFO step:  Lambda=-6.73143584D-05.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=T DC=  6.73D-06 SmlDif=  1.00D-05
 RMS Error=  0.8672641112D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=T RFO-DIIS coefs:    0.18751    0.18063    0.40451    0.38766   -0.16031
 Iteration  1 RMS(Cart)=  0.01508665 RMS(Int)=  0.00028335
 Iteration  2 RMS(Cart)=  0.00027033 RMS(Int)=  0.00007238
 Iteration  3 RMS(Cart)=  0.00000009 RMS(Int)=  0.00007238
 ITry= 1 IFail=0 DXMaxC= 1.78D-01 DCOld= 1.00D+10 DXMaxT= 6.35D-02 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.57502  -0.00003   0.01661   0.00155   0.01812   6.59314
    R2        6.24334   0.00028   0.02436   0.00233   0.02665   6.26999
    R3        7.18646   0.00068   0.06148  -0.00164   0.05986   7.24632
    R4        6.26117  -0.00038   0.07439  -0.01431   0.06013   6.32130
    R5        6.55890  -0.00021  -0.02054  -0.00297  -0.02347   6.53543
    R6        6.01006  -0.00025  -0.02469  -0.00693  -0.03173   5.97834
    R7        6.69428   0.00022   0.00224   0.00415   0.00638   6.70066
    R8        6.23039   0.00004   0.00035  -0.00224  -0.00187   6.22851
    R9        6.64968   0.00010   0.01050  -0.00374   0.00681   6.65648
   R10        6.08969  -0.00004  -0.00828  -0.00521  -0.01351   6.07618
   R11        6.96960   0.00006  -0.00825   0.00429  -0.00394   6.96566
   R12        6.03766  -0.00010  -0.00810   0.00571  -0.00241   6.03525
   R13        6.88932   0.00048  -0.00833  -0.00058  -0.00892   6.88041
   R14        6.19643   0.00007  -0.00112   0.00450   0.00343   6.19986
   R15        6.88610  -0.00021  -0.01016   0.01189   0.00180   6.88790
   R16        5.95842   0.00007   0.00125   0.00793   0.00914   5.96756
   R17        6.68655  -0.00011   0.00359  -0.00438  -0.00075   6.68580
   R18        6.51241   0.00116   0.06962   0.00672   0.07618   6.58859
   R19        6.21752   0.00020   0.00152  -0.01146  -0.00976   6.20776
   R20        6.55353   0.00041   0.04613  -0.02274   0.02360   6.57713
   R21        6.06039   0.00031   0.02466   0.01879   0.04315   6.10354
   R22        7.07316  -0.00096  -0.07050   0.00915  -0.06080   7.01236
   R23        6.06052   0.00013  -0.05077   0.01629  -0.03468   6.02585
   R24        2.34847   0.00071   0.00118   0.00047   0.00165   2.35012
   R25        2.57305  -0.00038  -0.00175   0.00064  -0.00104   2.57201
   R26        2.09416   0.00015   0.00057  -0.00040   0.00017   2.09433
   R27        2.76751  -0.00038  -0.00167  -0.00207  -0.00374   2.76377
   R28        2.76876  -0.00002  -0.00027  -0.00044  -0.00065   2.76811
   R29        2.07638  -0.00007   0.00010   0.00012   0.00022   2.07660
   R30        2.07801   0.00110   0.00229   0.00909   0.01143   2.08944
   R31        2.08297   0.00003  -0.00020   0.00064   0.00043   2.08340
   R32        2.07975   0.00013   0.00072  -0.00121  -0.00048   2.07926
   R33        2.07510  -0.00014  -0.00031  -0.00013  -0.00044   2.07466
   R34        2.08346   0.00003  -0.00002   0.00004   0.00002   2.08348
   R35        2.34855   0.00034   0.00028  -0.00007   0.00022   2.34876
   R36        2.57055   0.00027   0.00087   0.00033   0.00119   2.57174
   R37        2.09446  -0.00007  -0.00023   0.00007  -0.00016   2.09430
   R38        2.76923  -0.00003  -0.00046   0.00014  -0.00034   2.76890
   R39        2.76384   0.00029   0.00090   0.00043   0.00133   2.76518
   R40        2.07947   0.00049   0.00154   0.00225   0.00375   2.08322
   R41        2.08398   0.00000   0.00003   0.00007   0.00010   2.08408
   R42        2.07440  -0.00002  -0.00023   0.00027   0.00004   2.07444
   R43        2.08303   0.00006   0.00011   0.00018   0.00029   2.08332
   R44        2.08223   0.00024   0.00108   0.00030   0.00133   2.08355
   R45        2.07645   0.00001   0.00013  -0.00017  -0.00003   2.07641
   R46        2.34782   0.00037   0.00029   0.00020   0.00049   2.34831
   R47        2.57090   0.00039   0.00076   0.00050   0.00119   2.57209
   R48        2.09369  -0.00007  -0.00011  -0.00001  -0.00012   2.09358
   R49        2.76396   0.00015   0.00099   0.00010   0.00098   2.76494
   R50        2.76825   0.00008   0.00037   0.00022   0.00053   2.76878
   R51        2.08451  -0.00007  -0.00004  -0.00021  -0.00026   2.08426
   R52        2.08565  -0.00069  -0.00233  -0.00155  -0.00395   2.08170
   R53        2.07591  -0.00003  -0.00016   0.00022   0.00006   2.07597
   R54        2.08553  -0.00009  -0.00025   0.00000  -0.00025   2.08528
   R55        2.07336   0.00012   0.00038   0.00004   0.00042   2.07378
   R56        2.07815  -0.00002  -0.00007   0.00011   0.00004   2.07819
   R57        2.34802   0.00102   0.00075  -0.00096  -0.00021   2.34781
   R58        2.57342  -0.00059  -0.00083  -0.00057  -0.00157   2.57185
   R59        2.09413   0.00033   0.00075  -0.00003   0.00072   2.09485
   R60        2.77484  -0.00015  -0.00415   0.00309  -0.00130   2.77353
   R61        2.76602  -0.00001  -0.00093   0.00185   0.00056   2.76658
   R62        2.07421  -0.00005   0.00004   0.00073   0.00077   2.07499
   R63        2.08346  -0.00027   0.00037  -0.00037   0.00000   2.08345
   R64        2.08176  -0.00046  -0.00248  -0.00185  -0.00435   2.07741
   R65        2.07623  -0.00001   0.00011  -0.00012  -0.00002   2.07622
   R66        2.08684  -0.00037  -0.00125   0.00109  -0.00031   2.08652
   R67        2.08176  -0.00009   0.00058  -0.00013   0.00045   2.08221
    A1        0.68586  -0.00011  -0.00505  -0.00049  -0.00553   0.68033
    A2        0.96346  -0.00001  -0.00650   0.00056  -0.00592   0.95754
    A3        0.72748  -0.00013  -0.00046  -0.00020  -0.00064   0.72685
    A4        1.01948  -0.00010  -0.00123   0.00038  -0.00081   1.01867
    A5        2.33557   0.00006   0.00554   0.00153   0.00706   2.34264
    A6        2.02058   0.00005   0.00369   0.00262   0.00629   2.02687
    A7        1.98334   0.00006   0.00007   0.00351   0.00356   1.98690
    A8        1.68993  -0.00001   0.00086   0.00295   0.00379   1.69373
    A9        1.64910  -0.00002   0.00403   0.00212   0.00612   1.65522
   A10        1.36863  -0.00004   0.00348   0.00241   0.00588   1.37451
   A11        1.72931  -0.00007   0.00043  -0.00131  -0.00085   1.72846
   A12        2.03013  -0.00007   0.00219  -0.00034   0.00186   2.03199
   A13        1.93034  -0.00001   0.00430   0.00174   0.00602   1.93635
   A14        2.00877  -0.00003   0.00942   0.00077   0.01018   2.01895
   A15        2.42680  -0.00002   0.00151  -0.00059   0.00091   2.42771
   A16        1.60674   0.00014  -0.02373   0.00547  -0.01831   1.58843
   A17        1.80213  -0.00004  -0.01936   0.00410  -0.01525   1.78688
   A18        1.57256   0.00006  -0.01050   0.00135  -0.00918   1.56338
   A19        1.71245  -0.00009  -0.01089   0.00483  -0.00605   1.70640
   A20        2.20014   0.00003  -0.01353   0.00341  -0.01006   2.19008
   A21        2.42417   0.00010  -0.01718   0.00359  -0.01353   2.41064
   A22        0.65035   0.00000  -0.00654   0.00010  -0.00644   0.64391
   A23        0.65908  -0.00001  -0.00104   0.00092  -0.00010   0.65899
   A24        2.38748   0.00009   0.00419   0.00005   0.00425   2.39172
   A25        2.22073   0.00007   0.00154   0.00191   0.00345   2.22418
   A26        2.32764   0.00004  -0.00207   0.00333   0.00127   2.32891
   A27        2.06314  -0.00004  -0.00108   0.00289   0.00181   2.06495
   A28        1.81404   0.00002   0.00089   0.00211   0.00298   1.81703
   A29        1.57418   0.00000   0.00043   0.00272   0.00315   1.57733
   A30        1.33381  -0.00002   0.00264  -0.00129   0.00137   1.33518
   A31        1.63037   0.00000   0.00327  -0.00037   0.00290   1.63327
   A32        1.57748   0.00008   0.00354   0.00145   0.00495   1.58244
   A33        1.72202   0.00004   0.00727   0.00017   0.00741   1.72944
   A34        2.02794   0.00004   0.00347  -0.00049   0.00297   2.03091
   A35        1.86650   0.00003  -0.02397   0.00716  -0.01689   1.84961
   A36        1.92518  -0.00011  -0.01584   0.00595  -0.00990   1.91528
   A37        1.56973   0.00000  -0.00757   0.00322  -0.00440   1.56533
   A38        1.58724  -0.00010  -0.00639   0.00638   0.00001   1.58725
   A39        2.27090  -0.00005  -0.00570   0.00482  -0.00082   2.27009
   A40        2.37429   0.00003  -0.01230   0.00434  -0.00787   2.36642
   A41        0.69285  -0.00005  -0.00399   0.00059  -0.00339   0.68946
   A42        0.75129  -0.00004  -0.00597   0.00252  -0.00344   0.74785
   A43        2.65761  -0.00001  -0.00053  -0.00074  -0.00125   2.65637
   A44        2.60561  -0.00004  -0.00365   0.00169  -0.00195   2.60367
   A45        2.66678  -0.00005  -0.00438   0.00297  -0.00140   2.66538
   A46        2.36060  -0.00012  -0.00281   0.00232  -0.00048   2.36012
   A47        2.19922  -0.00008  -0.00446   0.00206  -0.00239   2.19682
   A48        1.96510  -0.00011  -0.00438   0.00257  -0.00179   1.96331
   A49        1.09276   0.00002   0.00113  -0.00064   0.00047   1.09323
   A50        1.45192   0.00004   0.00088  -0.00003   0.00083   1.45275
   A51        1.55241   0.00008  -0.00093   0.00141   0.00044   1.55284
   A52        1.78318   0.00000   0.00119   0.00003   0.00118   1.78436
   A53        1.77752   0.00011   0.00318  -0.00047   0.00270   1.78022
   A54        1.71511   0.00005  -0.01780   0.00771  -0.01019   1.70492
   A55        1.64175   0.00000  -0.00767   0.00633  -0.00136   1.64039
   A56        1.23684   0.00010  -0.00125   0.00375   0.00244   1.23928
   A57        1.20601   0.00002  -0.00048   0.00659   0.00612   1.21213
   A58        1.92750   0.00006   0.00310   0.00489   0.00803   1.93553
   A59        1.98945   0.00014  -0.00628   0.00435  -0.00188   1.98758
   A60        0.84814   0.00005  -0.00693  -0.00025  -0.00718   0.84096
   A61        0.78719   0.00002  -0.00999   0.00121  -0.00880   0.77839
   A62        2.60238  -0.00002  -0.00192  -0.00373  -0.00563   2.59675
   A63        2.77691   0.00004  -0.00693  -0.00068  -0.00761   2.76930
   A64        2.61625  -0.00004  -0.00215   0.00384   0.00170   2.61794
   A65        2.40409   0.00002  -0.00834   0.00124  -0.00712   2.39697
   A66        2.20848   0.00000  -0.00764   0.00250  -0.00513   2.20335
   A67        0.85451  -0.00005  -0.00089  -0.00237  -0.00330   0.85121
   A68        1.23030  -0.00003  -0.00111  -0.00204  -0.00318   1.22711
   A69        1.41207   0.00006  -0.00431  -0.00116  -0.00554   1.40654
   A70        1.68031  -0.00002  -0.00309  -0.00250  -0.00566   1.67464
   A71        1.51613   0.00003   0.00315  -0.00213   0.00101   1.51714
   A72        1.72067  -0.00001  -0.01135   0.00966  -0.00173   1.71893
   A73        1.54252  -0.00004  -0.00074   0.00794   0.00722   1.54974
   A74        1.11035   0.00002   0.00354   0.00573   0.00924   1.11959
   A75        1.00279  -0.00006   0.00448   0.00753   0.01206   1.01486
   A76        1.75255  -0.00003   0.00986   0.00573   0.01563   1.76818
   A77        1.76000   0.00003  -0.00162   0.00449   0.00292   1.76292
   A78        1.99142   0.00004   0.00316  -0.00076   0.00241   1.99383
   A79        1.94161   0.00000   0.00009   0.00060   0.00070   1.94232
   A80        2.22604  -0.00004  -0.00318   0.00178  -0.00138   2.22466
   A81        2.08455  -0.00009  -0.00224   0.00177  -0.00044   2.08411
   A82        1.55617  -0.00004  -0.00150   0.00143  -0.00007   1.55610
   A83        1.39093  -0.00006  -0.00201   0.00222   0.00024   1.39117
   A84        1.18787   0.00008   0.00660  -0.00062   0.00598   1.19385
   A85        1.37130   0.00007   0.00634   0.00039   0.00672   1.37802
   A86        1.20340   0.00011   0.00512   0.00199   0.00707   1.21047
   A87        1.30328   0.00007   0.00792   0.00049   0.00838   1.31165
   A88        1.79779   0.00009   0.00619   0.00066   0.00683   1.80462
   A89        2.29710   0.00003  -0.02367   0.00689  -0.01687   2.28023
   A90        2.32985  -0.00006  -0.01289   0.00674  -0.00617   2.32368
   A91        1.92863   0.00005  -0.00502   0.00445  -0.00063   1.92799
   A92        1.84971   0.00001  -0.00199   0.00740   0.00544   1.85515
   A93        2.60069   0.00002   0.00267   0.00547   0.00826   2.60895
   A94        2.55193   0.00010  -0.00280   0.00396   0.00131   2.55323
   A95        1.90719   0.00003   0.00562  -0.00340   0.00222   1.90941
   A96        1.99217   0.00001   0.00327  -0.00232   0.00097   1.99315
   A97        2.37213  -0.00001   0.00091  -0.00127  -0.00033   2.37180
   A98        2.32852  -0.00004   0.00102  -0.00029   0.00078   2.32930
   A99        1.66727  -0.00001   0.00112  -0.00089   0.00025   1.66752
   A100       1.57478  -0.00003   0.00069   0.00027   0.00100   1.57578
   A101       0.88315   0.00005   0.00508   0.00029   0.00537   0.88852
   A102       1.05101   0.00004   0.00532   0.00036   0.00566   1.05667
   A103       0.92003   0.00009   0.00474   0.00079   0.00549   0.92551
   A104       1.07544   0.00003   0.00766  -0.00146   0.00617   1.08160
   A105       1.47737   0.00006   0.00520   0.00064   0.00581   1.48318
   A106       2.46609   0.00002  -0.02393   0.01015  -0.01388   2.45221
   A107       2.32540  -0.00001  -0.00960   0.00923  -0.00033   2.32507
   A108       1.89052   0.00004  -0.00596   0.00731   0.00129   1.89181
   A109       1.71717   0.00002  -0.00250   0.00911   0.00665   1.72382
   A110       2.43305   0.00003   0.00688   0.00629   0.01329   2.44634
   A111       2.28622   0.00006  -0.00113   0.00418   0.00317   2.28939
   A112       0.71416   0.00002  -0.00050   0.00012  -0.00039   0.71377
   A113       1.00483   0.00009   0.00004   0.00040   0.00044   1.00527
   A114       0.69437   0.00008   0.00082  -0.00012   0.00070   0.69507
   A115       0.98141   0.00011   0.00124  -0.00018   0.00105   0.98245
   A116       1.80284   0.00000   0.00381  -0.00163   0.00220   1.80504
   A117       1.42278  -0.00003   0.00301  -0.00172   0.00132   1.42411
   A118       1.19184  -0.00009   0.00303  -0.00257   0.00052   1.19237
   A119       0.92264   0.00000   0.00087  -0.00121  -0.00028   0.92236
   A120       1.24851  -0.00011   0.00053  -0.00086  -0.00029   1.24821
   A121       1.90824  -0.00004   0.01765  -0.00684   0.01093   1.91917
   A122       1.96059   0.00002   0.01033  -0.00593   0.00443   1.96502
   A123       2.32244  -0.00009   0.00376  -0.00325   0.00056   2.32300
   A124       2.23469   0.00003   0.00510  -0.00641  -0.00132   2.23337
   A125       1.62372  -0.00004   0.00205  -0.00493  -0.00289   1.62083
   A126       1.47970  -0.00013   0.01048  -0.00499   0.00546   1.48517
   A127       0.65476   0.00006   0.00069   0.00039   0.00108   0.65585
   A128       0.66028   0.00007   0.00062  -0.00022   0.00039   0.66067
   A129       2.16728   0.00003   0.00403  -0.00146   0.00259   2.16986
   A130       1.79548   0.00000   0.00304  -0.00148   0.00159   1.79707
   A131       1.50483  -0.00007   0.00284  -0.00162   0.00129   1.50611
   A132       1.21465   0.00003   0.00172  -0.00041   0.00137   1.21602
   A133       1.64168  -0.00008   0.00057  -0.00114  -0.00055   1.64113
   A134       1.75673   0.00000   0.01481  -0.00733   0.00762   1.76435
   A135       1.96346   0.00001   0.00730  -0.00710   0.00026   1.96371
   A136       2.39588  -0.00006   0.00341  -0.00509  -0.00162   2.39427
   A137       2.47151   0.00002   0.00403  -0.00827  -0.00424   2.46728
   A138       1.73757  -0.00002  -0.00128  -0.00624  -0.00750   1.73007
   A139       1.68705  -0.00010   0.01014  -0.00615   0.00399   1.69104
   A140       0.70490   0.00000  -0.00025  -0.00035  -0.00059   0.70431
   A141       0.83511   0.00002  -0.00116  -0.00045  -0.00161   0.83350
   A142       2.49413   0.00002   0.00304  -0.00194   0.00111   2.49524
   A143       2.11564   0.00000   0.00254  -0.00216   0.00040   2.11604
   A144       1.90150  -0.00008   0.00243  -0.00209   0.00040   1.90190
   A145       1.62041   0.00002   0.00075  -0.00057   0.00023   1.62064
   A146       1.83354  -0.00007   0.00079  -0.00227  -0.00146   1.83208
   A147       1.33107   0.00002   0.01501  -0.00757   0.00755   1.33863
   A148       1.57847   0.00001   0.00617  -0.00741  -0.00117   1.57730
   A149       2.01106  -0.00003   0.00363  -0.00560  -0.00191   2.00914
   A150       2.18794   0.00000   0.00280  -0.00848  -0.00567   2.18227
   A151       1.44324   0.00000  -0.00329  -0.00671  -0.00998   1.43326
   A152       1.48986  -0.00006   0.00888  -0.00655   0.00232   1.49219
   A153       0.76341   0.00001   0.00209  -0.00069   0.00140   0.76481
   A154       0.76717  -0.00001   0.00111  -0.00108   0.00003   0.76720
   A155       2.80555   0.00010   0.00327  -0.00135   0.00196   2.80751
   A156       2.42439   0.00007   0.00270  -0.00153   0.00119   2.42558
   A157       2.15841  -0.00001   0.00365  -0.00108   0.00263   2.16103
   A158       1.86667   0.00008   0.00278   0.00011   0.00294   1.86960
   A159       2.14497   0.00001  -0.00038  -0.00182  -0.00218   2.14278
   A160       1.20091   0.00002   0.00841  -0.00682   0.00164   1.20255
   A161       1.53360  -0.00003  -0.00022  -0.00653  -0.00671   1.52689
   A162       1.93041  -0.00004  -0.00008  -0.00518  -0.00522   1.92519
   A163       2.19094  -0.00005  -0.00219  -0.00674  -0.00894   2.18200
   A164       1.52106   0.00001  -0.00874  -0.00576  -0.01446   1.50660
   A165       1.64532  -0.00001   0.00375  -0.00547  -0.00171   1.64361
   A166       2.15948   0.00006   0.00423   0.00028   0.00454   2.16403
   A167       1.86120   0.00003   0.00318   0.00046   0.00368   1.86488
   A168       1.47797  -0.00003   0.00246   0.00089   0.00342   1.48140
   A169       1.19734   0.00007   0.00300   0.00146   0.00453   1.20187
   A170       1.86835  -0.00003   0.00086   0.00048   0.00137   1.86973
   A171       1.96420   0.00004   0.01003  -0.00745   0.00274   1.96693
   A172       2.27546  -0.00001   0.00447  -0.00770  -0.00313   2.27233
   A173       2.69287  -0.00003   0.00226  -0.00595  -0.00362   2.68925
   A174       2.12624   0.00001  -0.00185  -0.00688  -0.00870   2.11754
   A175       2.09399  -0.00006   0.01085  -0.00642   0.00444   2.09844
   A176       2.26574   0.00007   0.00542   0.00124   0.00669   2.27244
   A177       2.04631   0.00006   0.00456   0.00136   0.00595   2.05227
   A178       1.63789   0.00001   0.00374   0.00208   0.00588   1.64377
   A179       1.38407   0.00010   0.00508   0.00211   0.00725   1.39132
   A180       2.13257   0.00000   0.00198   0.00097   0.00297   2.13553
   A181       1.90323   0.00004   0.00307  -0.00644  -0.00323   1.90000
   A182       2.28239  -0.00006  -0.00191  -0.00692  -0.00871   2.27368
   A183       2.59888  -0.00004  -0.00205  -0.00460  -0.00660   2.59228
   A184       2.27010   0.00001  -0.00591  -0.00715  -0.01299   2.25712
   A185       2.31419  -0.00004   0.00896  -0.00692   0.00206   2.31626
   A186       0.68932   0.00010   0.00168  -0.00036   0.00128   0.69060
   A187       0.97992   0.00001   0.00187  -0.00118   0.00066   0.98058
   A188       0.69852   0.00006   0.00094   0.00059   0.00150   0.70003
   A189       2.11419  -0.00011  -0.00864   0.00516  -0.00346   2.11073
   A190       1.72640   0.00001  -0.00165   0.00482   0.00314   1.72954
   A191       1.40012  -0.00003  -0.00477   0.00458  -0.00025   1.39987
   A192       1.09310   0.00003  -0.00192   0.00448   0.00255   1.09564
   A193       1.60880  -0.00002   0.00597   0.00359   0.00951   1.61832
   A194       1.40963   0.00000  -0.00449   0.00309  -0.00141   1.40822
   A195       0.66730  -0.00003  -0.00016  -0.00092  -0.00111   0.66620
   A196       2.25231  -0.00011   0.00128   0.00101   0.00241   2.25472
   A197       1.85015   0.00006   0.00405   0.00159   0.00563   1.85579
   A198       1.63679  -0.00001  -0.00222   0.00284   0.00058   1.63737
   A199       1.31448   0.00008   0.00085   0.00145   0.00228   1.31676
   A200       1.59989   0.00000   0.00824   0.00058   0.00876   1.60865
   A201       1.34202  -0.00002   0.00040   0.00019   0.00056   1.34258
   A202       0.71035  -0.00002  -0.00033  -0.00085  -0.00119   0.70917
   A203       2.63192  -0.00011   0.00722  -0.00253   0.00503   2.63695
   A204       2.24499   0.00008   0.00651  -0.00057   0.00598   2.25097
   A205       2.04638   0.00004  -0.00168   0.00245   0.00071   2.04710
   A206       1.72440   0.00013   0.00143   0.00117   0.00257   1.72696
   A207       1.94013  -0.00001   0.00938  -0.00224   0.00707   1.94720
   A208       1.66360  -0.00004   0.00406  -0.00264   0.00140   1.66500
   A209       0.83961  -0.00008  -0.00362  -0.00012  -0.00376   0.83585
   A210       2.66720  -0.00012   0.01356  -0.00604   0.00770   2.67490
   A211       2.37664   0.00004   0.00674  -0.00256   0.00419   2.38083
   A212       2.29192  -0.00006  -0.00237   0.00132  -0.00112   2.29080
   A213       1.97234   0.00005   0.00066  -0.00032   0.00029   1.97263
   A214       2.00449  -0.00003   0.00529  -0.00301   0.00219   2.00668
   A215       1.72797  -0.00009   0.00331  -0.00314   0.00012   1.72809
   A216       1.92259  -0.00009   0.00904  -0.00220   0.00689   1.92948
   A217       1.55266   0.00011   0.00907  -0.00126   0.00779   1.56045
   A218       1.48610   0.00002   0.00187   0.00030   0.00214   1.48824
   A219       1.19128   0.00016   0.00478  -0.00243   0.00232   1.19360
   A220       1.23013   0.00002   0.00968  -0.00122   0.00838   1.23852
   A221       0.95553  -0.00002   0.00370  -0.00140   0.00223   0.95776
   A222       0.73145  -0.00007  -0.00729   0.00148  -0.00589   0.72556
   A223       1.02276  -0.00013  -0.00749   0.00070  -0.00680   1.01596
   A224       0.69618  -0.00011   0.00160  -0.00122   0.00039   0.69657
   A225       0.97526  -0.00007   0.00603  -0.00104   0.00510   0.98036
   A226       0.65813  -0.00002  -0.00167  -0.00008  -0.00177   0.65636
   A227       0.65920   0.00014   0.00356  -0.00012   0.00346   0.66267
   A228       0.70147  -0.00005   0.00248   0.00155   0.00405   0.70552
   A229       0.85674   0.00003  -0.00661   0.00208  -0.00449   0.85225
   A230       0.75190   0.00002   0.00573  -0.00198   0.00372   0.75562
   A231       0.78714   0.00013  -0.00591  -0.00200  -0.00792   0.77922
   A232       1.59829   0.00020  -0.01074  -0.00482  -0.01553   1.58276
   A233       1.84155   0.00034   0.01748   0.01064   0.02814   1.86969
   A234       2.18834   0.00027   0.00134  -0.00003   0.00131   2.18965
   A235       2.12985  -0.00013  -0.00079   0.00257   0.00179   2.13164
   A236       1.96424  -0.00011  -0.00027  -0.00231  -0.00265   1.96160
   A237       2.12241   0.00019   0.00142  -0.00177  -0.00036   2.12204
   A238       2.12907  -0.00039  -0.00170  -0.00146  -0.00312   2.12595
   A239       2.03087   0.00020   0.00022   0.00309   0.00326   2.03413
   A240       1.84716  -0.00007  -0.00900  -0.00997  -0.01901   1.82815
   A241       2.52305   0.00034   0.01213   0.01019   0.02239   2.54544
   A242       1.91401  -0.00004   0.00038  -0.00379  -0.00343   1.91058
   A243       1.92432  -0.00040  -0.00545  -0.00622  -0.01167   1.91265
   A244       1.90851   0.00030   0.00558   0.00805   0.01350   1.92201
   A245       1.91501  -0.00010  -0.00443   0.00122  -0.00328   1.91173
   A246       1.91155  -0.00026  -0.00259  -0.00061  -0.00315   1.90840
   A247       1.89024   0.00051   0.00656   0.00148   0.00814   1.89838
   A248       1.29967  -0.00018  -0.01548   0.00322  -0.01225   1.28743
   A249       1.90531  -0.00007  -0.00253   0.00410   0.00160   1.90691
   A250       1.90983   0.00013  -0.00045   0.00128   0.00074   1.91057
   A251       1.92603   0.00001   0.00206  -0.00150   0.00057   1.92660
   A252       1.91114  -0.00008   0.00080  -0.00258  -0.00169   1.90945
   A253       1.89829   0.00000   0.00003  -0.00063  -0.00066   1.89763
   A254       1.91312   0.00000   0.00008  -0.00068  -0.00059   1.91253
   A255       1.72006   0.00003   0.00234  -0.00269  -0.00035   1.71971
   A256       1.76562   0.00007  -0.00206   0.00636   0.00430   1.76992
   A257       2.19091   0.00002   0.00030  -0.00154  -0.00123   2.18967
   A258       2.13088  -0.00005  -0.00084  -0.00010  -0.00095   2.12992
   A259       1.96120   0.00003   0.00053   0.00166   0.00220   1.96339
   A260       2.12403   0.00001   0.00071   0.00042   0.00111   2.12514
   A261       2.12148   0.00010   0.00087   0.00109   0.00197   2.12345
   A262       2.03735  -0.00011  -0.00155  -0.00139  -0.00295   2.03440
   A263       1.33388   0.00011   0.01431  -0.00043   0.01390   1.34778
   A264       1.89969   0.00000   0.00073  -0.00132  -0.00056   1.89913
   A265       1.93195   0.00000  -0.00041   0.00032  -0.00011   1.93184
   A266       1.90918   0.00002   0.00037   0.00034   0.00072   1.90991
   A267       1.89833  -0.00001  -0.00096   0.00034  -0.00064   1.89770
   A268       1.91290   0.00003   0.00023   0.00041   0.00063   1.91352
   A269       1.91165  -0.00004   0.00005  -0.00009  -0.00005   1.91161
   A270       2.65670   0.00006   0.00592  -0.00094   0.00498   2.66168
   A271       1.70710  -0.00004  -0.00607   0.00091  -0.00517   1.70194
   A272       1.92281   0.00005   0.00097   0.00040   0.00140   1.92421
   A273       1.91420  -0.00002  -0.00011  -0.00082  -0.00094   1.91326
   A274       1.91439  -0.00008  -0.00068  -0.00013  -0.00081   1.91357
   A275       1.89376   0.00007   0.00055  -0.00009   0.00045   1.89421
   A276       1.91101  -0.00002  -0.00027   0.00032   0.00005   1.91106
   A277       1.90748   0.00000  -0.00047   0.00032  -0.00014   1.90734
   A278       1.81057  -0.00011  -0.00239  -0.01021  -0.01262   1.79795
   A279       1.75539   0.00001  -0.00204   0.00661   0.00458   1.75997
   A280       2.19064  -0.00001  -0.00030  -0.00053  -0.00081   2.18983
   A281       2.12911   0.00004   0.00130  -0.00087   0.00044   2.12956
   A282       1.96339  -0.00003  -0.00102   0.00137   0.00030   1.96369
   A283       2.11965   0.00022   0.00240   0.00073   0.00307   2.12272
   A284       2.11311   0.00011   0.00225   0.00119   0.00341   2.11652
   A285       2.04668  -0.00032  -0.00417  -0.00170  -0.00580   2.04088
   A286       2.68020  -0.00009   0.01126  -0.00859   0.00264   2.68284
   A287       1.67960   0.00007  -0.01055   0.00750  -0.00303   1.67657
   A288       1.93017  -0.00005  -0.00343  -0.00153  -0.00503   1.92514
   A289       1.91650   0.00018  -0.00005  -0.00024  -0.00030   1.91620
   A290       1.91121  -0.00009   0.00068   0.00134   0.00205   1.91326
   A291       1.88941  -0.00009   0.00158  -0.00093   0.00067   1.89008
   A292       1.91149   0.00001  -0.00003   0.00135   0.00133   1.91282
   A293       1.90479   0.00004   0.00130   0.00000   0.00132   1.90611
   A294       1.34789   0.00005   0.00979  -0.00106   0.00871   1.35660
   A295       1.15604  -0.00008  -0.00626  -0.00099  -0.00725   1.14880
   A296       1.93403  -0.00014  -0.00165  -0.00069  -0.00236   1.93167
   A297       1.90776  -0.00008  -0.00076   0.00126   0.00046   1.90821
   A298       1.90163   0.00009   0.00097  -0.00086   0.00018   1.90181
   A299       1.90915   0.00005   0.00030   0.00002   0.00032   1.90948
   A300       1.89746   0.00007   0.00021  -0.00058  -0.00038   1.89708
   A301       1.91371   0.00000   0.00097   0.00086   0.00181   1.91552
   A302       1.60185   0.00040   0.05152  -0.00236   0.04913   1.65098
   A303       1.83902  -0.00017  -0.03770   0.00679  -0.03097   1.80804
   A304       2.19228  -0.00018  -0.00059  -0.00304  -0.00358   2.18870
   A305       2.13101  -0.00009  -0.00084  -0.00058  -0.00174   2.12927
   A306       1.95961   0.00027   0.00136   0.00356   0.00519   1.96479
   A307       2.12480   0.00059   0.00072   0.00065   0.00139   2.12618
   A308       2.12394  -0.00025  -0.00061  -0.00249  -0.00324   2.12070
   A309       2.03033  -0.00034   0.00128   0.00281   0.00413   2.03446
   A310       1.27325   0.00075   0.03052  -0.02349   0.00699   1.28025
   A311       3.07807  -0.00053  -0.02273   0.02200  -0.00074   3.07733
   A312       1.90884   0.00013   0.00296   0.00286   0.00578   1.91462
   A313       1.91187   0.00011   0.01387  -0.00338   0.01110   1.92297
   A314       1.89967   0.00038   0.00252  -0.00034   0.00241   1.90209
   A315       1.92106  -0.00031  -0.01032   0.00400  -0.00661   1.91446
   A316       1.91155   0.00012   0.00045  -0.00273  -0.00236   1.90920
   A317       1.91067  -0.00042  -0.00948  -0.00047  -0.01033   1.90034
   A318       1.83762  -0.00003  -0.05296  -0.00031  -0.05320   1.78442
   A319       1.91830  -0.00012  -0.00199  -0.00155  -0.00405   1.91425
   A320       1.90703   0.00089   0.00630  -0.00187   0.00464   1.91167
   A321       1.92115  -0.00044   0.00028  -0.00003   0.00031   1.92147
   A322       1.90891  -0.00025  -0.00201  -0.00091  -0.00267   1.90624
   A323       1.91122   0.00012  -0.00076   0.00163   0.00095   1.91217
   A324       1.89703  -0.00020  -0.00183   0.00276   0.00085   1.89788
   A325       2.94680   0.00005  -0.00643   0.00407  -0.00236   2.94444
   A326       3.36154  -0.00010  -0.00685   0.00694   0.00007   3.36161
   A327       3.08108  -0.00013  -0.00740   0.00724  -0.00017   3.08091
   A328       3.21279  -0.00018  -0.01540   0.00254  -0.01284   3.19996
   A329       3.24554   0.00007   0.01436  -0.00052   0.01385   3.25939
   A330       3.25705   0.00010   0.01009  -0.00104   0.00903   3.26608
   A331       3.74884   0.00009  -0.05372   0.00132  -0.05225   3.69659
   A332       3.23007   0.00002  -0.00933  -0.00180  -0.01110   3.21897
   A333       2.99100  -0.00006  -0.00237  -0.00551  -0.00794   2.98306
   A334       2.92504  -0.00010  -0.00249  -0.00650  -0.00905   2.91598
   A335       3.21533   0.00014   0.01254   0.00178   0.01430   3.22962
   A336       3.08359  -0.00002  -0.00323  -0.00066  -0.00390   3.07969
   A337       3.10361   0.00006  -0.00131  -0.00235  -0.00366   3.09995
   A338       3.05221   0.00015  -0.00893   0.00793  -0.00102   3.05119
    D1        2.75685   0.00003   0.00124   0.00267   0.00393   2.76079
    D2       -1.36323   0.00004   0.00032   0.00604   0.00638  -1.35685
    D3        2.78357   0.00006  -0.00004   0.00034   0.00031   2.78388
    D4       -1.33651   0.00007  -0.00096   0.00371   0.00275  -1.33376
    D5        1.65798  -0.00006   0.00449   0.00119   0.00570   1.66368
    D6       -2.46210  -0.00005   0.00357   0.00456   0.00815  -2.45396
    D7        1.83361   0.00000   0.01027  -0.00086   0.00943   1.84304
    D8       -2.28647   0.00000   0.00935   0.00251   0.01188  -2.27459
    D9        0.31586   0.00010   0.00652   0.00502   0.01154   0.32740
   D10        2.47897   0.00010   0.00560   0.00839   0.01399   2.49296
   D11        0.02424   0.00004   0.00858   0.00319   0.01176   0.03601
   D12        2.18735   0.00005   0.00767   0.00656   0.01421   2.20156
   D13       -0.44650   0.00004   0.00929   0.00214   0.01141  -0.43510
   D14        1.71660   0.00005   0.00837   0.00551   0.01385   1.73046
   D15       -0.56871  -0.00001   0.00901   0.00200   0.01099  -0.55772
   D16        1.59439   0.00000   0.00809   0.00537   0.01344   1.60783
   D17        0.19759   0.00001   0.01147   0.00147   0.01292   0.21050
   D18        2.36069   0.00001   0.01055   0.00484   0.01537   2.37606
   D19        0.13162  -0.00003   0.01134   0.00049   0.01180   0.14343
   D20        2.29473  -0.00002   0.01042   0.00386   0.01425   2.30898
   D21        2.38293   0.00005   0.01696   0.00202   0.01899   2.40192
   D22       -1.73715   0.00006   0.01604   0.00539   0.02144  -1.71571
   D23        2.13584   0.00002   0.01802   0.00309   0.02113   2.15697
   D24       -1.98424   0.00003   0.01710   0.00646   0.02358  -1.96066
   D25        1.69849  -0.00003   0.01585   0.00329   0.01922   1.71771
   D26       -2.42159  -0.00003   0.01493   0.00666   0.02167  -2.39992
   D27        1.39222   0.00007   0.01580   0.00401   0.01987   1.41210
   D28       -2.72786   0.00008   0.01488   0.00738   0.02232  -2.70553
   D29        2.33772  -0.00008   0.02000   0.00480   0.02482   2.36254
   D30       -1.78236  -0.00007   0.01908   0.00817   0.02727  -1.75510
   D31       -1.77122  -0.00004   0.00345   0.00826   0.01161  -1.75961
   D32        0.39189  -0.00004   0.00253   0.01163   0.01405   0.40594
   D33       -2.12923   0.00003   0.01133   0.00758   0.01887  -2.11036
   D34        0.03387   0.00004   0.01042   0.01095   0.02131   0.05519
   D35       -2.50204   0.00003   0.01040   0.00692   0.01727  -2.48476
   D36       -0.33893   0.00004   0.00948   0.01029   0.01972  -0.31921
   D37       -2.79341   0.00007   0.01383   0.00698   0.02086  -2.77256
   D38       -0.63031   0.00008   0.01291   0.01035   0.02330  -0.60701
   D39       -2.16472  -0.00002   0.02100   0.00654   0.02752  -2.13720
   D40       -0.00162  -0.00002   0.02009   0.00991   0.02997   0.02835
   D41       -2.39348  -0.00002   0.00922   0.00555   0.01477  -2.37871
   D42       -0.23038  -0.00001   0.00830   0.00892   0.01721  -0.21316
   D43        1.25725   0.00005   0.00256   0.00009   0.00267   1.25992
   D44       -1.95367   0.00002   0.01733  -0.00988   0.00747  -1.94620
   D45        2.44443  -0.00004   0.00920  -0.00035   0.00887   2.45330
   D46       -0.76649  -0.00008   0.02397  -0.01032   0.01366  -0.75283
   D47        2.92476   0.00003   0.01429  -0.00193   0.01235   2.93711
   D48       -0.28616   0.00000   0.02906  -0.01190   0.01714  -0.26901
   D49        2.85310  -0.00001   0.00732   0.00378   0.01111   2.86421
   D50       -0.35782  -0.00004   0.02209  -0.00619   0.01590  -0.34192
   D51        2.03442  -0.00002   0.01136   0.00284   0.01415   2.04858
   D52       -1.17650  -0.00005   0.02613  -0.00713   0.01895  -1.15755
   D53        1.13325   0.00008   0.01966  -0.00149   0.01819   1.15144
   D54       -2.07767   0.00005   0.03443  -0.01146   0.02298  -2.05469
   D55        0.99628   0.00003   0.01445  -0.00139   0.01303   1.00932
   D56       -2.21463   0.00000   0.02922  -0.01136   0.01783  -2.19681
   D57        2.00197  -0.00004   0.01356  -0.00035   0.01318   2.01515
   D58       -1.20894  -0.00007   0.02833  -0.01032   0.01797  -1.19097
   D59        1.80863  -0.00005   0.01281  -0.00131   0.01148   1.82011
   D60       -1.40228  -0.00008   0.02758  -0.01128   0.01627  -1.38601
   D61       -2.30266   0.00007   0.02062  -0.00088   0.01976  -2.28290
   D62        0.76961   0.00004   0.03539  -0.01085   0.02456   0.79416
   D63       -2.43736   0.00002   0.01777   0.00035   0.01814  -2.41922
   D64        0.63491  -0.00001   0.03254  -0.00962   0.02294   0.65785
   D65       -2.83873  -0.00001   0.01643   0.00155   0.01801  -2.82073
   D66        0.23353  -0.00004   0.03120  -0.00842   0.02280   0.25633
   D67       -3.01999   0.00004   0.01809   0.00146   0.01959  -3.00040
   D68        0.05228   0.00001   0.03286  -0.00851   0.02438   0.07666
   D69       -2.16039  -0.00003   0.01481   0.00129   0.01611  -2.14427
   D70        0.91188  -0.00006   0.02958  -0.00868   0.02091   0.93279
   D71       -0.19302  -0.00008   0.01994   0.00108   0.02106  -0.17196
   D72        2.87924  -0.00011   0.03471  -0.00889   0.02585   2.90510
   D73       -0.59326   0.00008   0.02269   0.00130   0.02399  -0.56927
   D74        2.47901   0.00005   0.03745  -0.00867   0.02879   2.50779
   D75       -0.75459  -0.00002   0.01527   0.00281   0.01807  -0.73652
   D76        2.31768  -0.00005   0.03004  -0.00716   0.02286   2.34054
   D77       -1.09627   0.00010   0.01838   0.00169   0.02007  -1.07620
   D78        1.97600   0.00007   0.03315  -0.00828   0.02487   2.00086
   D79       -0.87981   0.00003   0.02657   0.00035   0.02690  -0.85291
   D80        2.19246  -0.00001   0.04134  -0.00962   0.03169   2.22415
   D81       -1.17454  -0.00001   0.02032  -0.00061   0.01969  -1.15485
   D82        1.89773  -0.00005   0.03509  -0.01058   0.02448   1.92221
   D83       -1.53217  -0.00004  -0.00186   0.00165  -0.00022  -1.53239
   D84       -2.61477   0.00002   0.00382   0.00270   0.00652  -2.60825
   D85       -2.94852  -0.00006   0.00174   0.00032   0.00204  -2.94648
   D86        0.73080   0.00005   0.00343   0.00490   0.00830   0.73910
   D87        0.30664   0.00001   0.00356   0.00493   0.00846   0.31509
   D88       -0.06426  -0.00001   0.00168   0.00546   0.00710  -0.05716
   D89       -0.40425  -0.00006   0.00259   0.00433   0.00689  -0.39735
   D90        0.17309   0.00000   0.00604   0.00326   0.00924   0.18233
   D91       -0.06423  -0.00002   0.00565   0.00282   0.00842  -0.05581
   D92        2.39313   0.00006   0.00942   0.00304   0.01245   2.40558
   D93        2.04347   0.00004   0.00912   0.00339   0.01250   2.05598
   D94        1.65005  -0.00002   0.00934   0.00370   0.01307   1.66313
   D95        1.36023   0.00008   0.01030   0.00441   0.01474   1.37497
   D96        2.04602  -0.00003   0.00691   0.00413   0.01103   2.05706
   D97       -1.92106  -0.00003   0.00478   0.00902   0.01362  -1.90744
   D98       -2.47168   0.00019   0.02055   0.00583   0.02648  -2.44520
   D99       -2.67269   0.00004   0.01007   0.00572   0.01577  -2.65692
   D100      -3.00199   0.00015   0.01299   0.00279   0.01581  -2.98618
   D101      -2.95164   0.00015   0.03548   0.00148   0.03715  -2.91449
   D102       2.81296  -0.00002   0.02973  -0.00246   0.02726   2.84022
   D103      -2.92028  -0.00010   0.00836  -0.00437   0.00398  -2.91630
   D104       1.17674  -0.00008   0.00912  -0.00539   0.00372   1.18046
   D105       2.79346  -0.00004   0.00731  -0.00510   0.00219   2.79564
   D106       0.60729  -0.00002   0.00807  -0.00611   0.00193   0.60922
   D107       2.29230   0.00005   0.01017  -0.00578   0.00438   2.29668
   D108       0.10614   0.00007   0.01092  -0.00680   0.00412   0.11026
   D109       1.72876  -0.00015   0.01523  -0.00428   0.01093   1.73969
   D110      -0.45741  -0.00013   0.01599  -0.00529   0.01068  -0.44674
   D111       2.57408   0.00006   0.00793  -0.00291   0.00499   2.57908
   D112       0.38791   0.00008   0.00869  -0.00392   0.00474   0.39265
   D113       2.24051   0.00003   0.00540  -0.00173   0.00363   2.24414
   D114       0.05434   0.00005   0.00615  -0.00274   0.00337   0.05771
   D115      -1.61113  -0.00004  -0.00026   0.00061   0.00035  -1.61077
   D116       2.48589  -0.00002   0.00050  -0.00040   0.00010   2.48599
   D117      -1.77683  -0.00005   0.00362  -0.00028   0.00334  -1.77349
   D118       2.32019  -0.00003   0.00438  -0.00130   0.00309   2.32327
   D119      -2.73539   0.00002   0.00035   0.00121   0.00156  -2.73382
   D120       1.36163   0.00005   0.00111   0.00019   0.00131   1.36294
   D121      -2.70267   0.00003   0.00262   0.00114   0.00377  -2.69890
   D122       1.39435   0.00005   0.00338   0.00013   0.00352   1.39786
   D123       1.32363  -0.00003  -0.00118  -0.00151  -0.00271   1.32092
   D124      -0.86254  -0.00001  -0.00042  -0.00253  -0.00297  -0.86551
   D125       1.29354   0.00001   0.00012  -0.00269  -0.00260   1.29094
   D126      -0.89263   0.00003   0.00087  -0.00371  -0.00286  -0.89548
   D127       1.64886   0.00002   0.00093  -0.00407  -0.00318   1.64568
   D128      -0.53731   0.00004   0.00168  -0.00509  -0.00344  -0.54075
   D129       1.78150  -0.00001  -0.00321  -0.00329  -0.00655   1.77495
   D130      -0.40467   0.00001  -0.00245  -0.00430  -0.00681  -0.41148
   D131       0.89252   0.00001   0.00160  -0.00352  -0.00193   0.89058
   D132      -1.29365   0.00004   0.00236  -0.00453  -0.00219  -1.29584
   D133      -0.94943   0.00013  -0.00413  -0.00259  -0.00666  -0.95609
   D134      -3.13559   0.00015  -0.00337  -0.00361  -0.00692   3.14067
   D135      -0.51977  -0.00005  -0.00500  -0.00406  -0.00900  -0.52877
   D136      -2.70593  -0.00003  -0.00424  -0.00508  -0.00926  -2.71519
   D137      -0.22914   0.00004   0.00106  -0.00564  -0.00454  -0.23368
   D138      -2.41531   0.00006   0.00182  -0.00665  -0.00480  -2.42010
   D139       0.18069  -0.00007  -0.00112  -0.00661  -0.00773   0.17296
   D140      -2.00548  -0.00004  -0.00036  -0.00762  -0.00798  -2.01346
   D141      -0.29881   0.00000  -0.00810  -0.00392  -0.01195  -0.31076
   D142      -2.48498   0.00003  -0.00734  -0.00494  -0.01221  -2.49719
   D143      -0.05890   0.00000   0.00126  -0.00365  -0.00237  -0.06126
   D144      -2.24506   0.00002   0.00201  -0.00467  -0.00262  -2.24769
   D145      -2.48190  -0.00004   0.00283  -0.00080   0.00204  -2.47985
   D146      -2.73134   0.00006   0.00209  -0.00174   0.00036  -2.73098
   D147      -2.39629  -0.00008  -0.00940   0.00037  -0.00904  -2.40532
   D148       2.99452   0.00007   0.00297  -0.00258   0.00039   2.99491
   D149       2.60949   0.00005   0.00450  -0.00455  -0.00011   2.60938
   D150       1.52425  -0.00006  -0.00608   0.00085  -0.00522   1.51904
   D151       2.62321   0.00007  -0.00415   0.00079  -0.00334   2.61987
   D152       2.99449   0.00009  -0.00230   0.00092  -0.00137   2.99312
   D153       1.18651  -0.00004  -0.00872  -0.00194  -0.01069   1.17583
   D154       1.24935   0.00000  -0.00620  -0.00257  -0.00880   1.24056
   D155       1.64054  -0.00001  -0.00467  -0.00395  -0.00865   1.63189
   D156       1.72385  -0.00003  -0.00827  -0.00242  -0.01071   1.71314
   D157       0.89942   0.00004  -0.00455  -0.00252  -0.00709   0.89233
   D158      -0.97774   0.00011  -0.01701   0.00095  -0.01610  -0.99383
   D159      -0.65466  -0.00008  -0.01562   0.00078  -0.01483  -0.66949
   D160      -0.70125   0.00005  -0.00810  -0.00019  -0.00829  -0.70954
   D161      -0.38804  -0.00011  -0.01117   0.00260  -0.00854  -0.39659
   D162      -0.27799   0.00000  -0.01353   0.00053  -0.01296  -0.29095
   D163      -0.00077   0.00006  -0.01187   0.00094  -0.01090  -0.01166
   D164      -1.29948  -0.00006   0.00902  -0.00726   0.00175  -1.29774
   D165       1.65710  -0.00006   0.00338  -0.00394  -0.00057   1.65653
   D166      -1.67019   0.00003   0.00904  -0.00739   0.00163  -1.66856
   D167       1.28639   0.00002   0.00340  -0.00406  -0.00068   1.28571
   D168      -1.74461   0.00005   0.00619  -0.00682  -0.00064  -1.74525
   D169       1.21197   0.00005   0.00055  -0.00350  -0.00295   1.20902
   D170      -1.99936   0.00001   0.00512  -0.01027  -0.00513  -2.00450
   D171       0.95722   0.00000  -0.00051  -0.00695  -0.00744   0.94977
   D172      -2.02165   0.00007   0.01017  -0.00702   0.00310  -2.01855
   D173       0.93493   0.00007   0.00453  -0.00369   0.00079   0.93572
   D174      -2.32309   0.00004   0.00996  -0.00775   0.00216  -2.32094
   D175       0.63349   0.00004   0.00432  -0.00442  -0.00015   0.63333
   D176       1.97556   0.00002   0.00263  -0.00343  -0.00082   1.97474
   D177      -1.35104   0.00002  -0.00301  -0.00010  -0.00313  -1.35418
   D178       0.82809   0.00005   0.00391  -0.00400  -0.00010   0.82799
   D179      -2.49852   0.00005  -0.00172  -0.00068  -0.00241  -2.50092
   D180       0.36189  -0.00005   0.00604  -0.00519   0.00084   0.36273
   D181      -2.96472  -0.00006   0.00040  -0.00186  -0.00147  -2.96619
   D182      -3.11549   0.00002   0.00454  -0.00723  -0.00273  -3.11822
   D183      -0.15891   0.00002  -0.00110  -0.00390  -0.00504  -0.16395
   D184       2.90357   0.00001   0.00425  -0.00784  -0.00362   2.89995
   D185      -0.42303   0.00000  -0.00139  -0.00451  -0.00593  -0.42897
   D186       3.05838  -0.00005   0.00484  -0.00890  -0.00407   3.05431
   D187      -0.26822  -0.00005  -0.00080  -0.00558  -0.00639  -0.27461
   D188       2.97267  -0.00002   0.00074  -0.00711  -0.00639   2.96628
   D189      -0.35394  -0.00003  -0.00490  -0.00378  -0.00870  -0.36263
   D190       2.45770  -0.00001   0.00410  -0.00819  -0.00412   2.45359
   D191      -0.86890  -0.00002  -0.00154  -0.00486  -0.00643  -0.87533
   D192       0.34297   0.00009  -0.01408  -0.00123  -0.01531   0.32766
   D193      -2.98363   0.00009  -0.01972   0.00210  -0.01762  -3.00126
   D194       0.64881  -0.00013  -0.01202  -0.00285  -0.01477   0.63404
   D195      -2.67779  -0.00014  -0.01766   0.00048  -0.01708  -2.69488
   D196       0.43914   0.00004  -0.00614  -0.00219  -0.00832   0.43082
   D197      -2.88747   0.00003  -0.01178   0.00114  -0.01063  -2.89810
   D198       1.10973  -0.00002  -0.00760  -0.00580  -0.01329   1.09644
   D199      -2.21688  -0.00002  -0.01324  -0.00248  -0.01560  -2.23248
   D200       1.43381   0.00002  -0.00067  -0.00676  -0.00740   1.42641
   D201      -1.89279   0.00002  -0.00630  -0.00343  -0.00971  -1.90251
   D202       1.62308   0.00003  -0.00574  -0.00702  -0.01276   1.61031
   D203      -0.59177   0.00002  -0.00528  -0.00475  -0.01003  -0.60180
   D204       1.68934  -0.00003  -0.00128  -0.00694  -0.00821   1.68113
   D205      -0.52550  -0.00004  -0.00083  -0.00466  -0.00548  -0.53098
   D206       1.35949   0.00008   0.00682  -0.00740  -0.00058   1.35891
   D207      -0.85536   0.00008   0.00727  -0.00512   0.00216  -0.85320
   D208       1.18455   0.00000   0.01472  -0.00631   0.00847   1.19301
   D209      -1.03030  -0.00001   0.01517  -0.00404   0.01120  -1.01910
   D210       2.11848   0.00000   0.00010  -0.00650  -0.00639   2.11209
   D211      -0.09637   0.00000   0.00056  -0.00423  -0.00366  -0.10002
   D212       2.23635   0.00002  -0.00155  -0.00372  -0.00527   2.23108
   D213       0.02151   0.00002  -0.00110  -0.00144  -0.00254   0.01897
   D214      -2.22869   0.00005   0.00293  -0.00683  -0.00392  -2.23261
   D215       1.83965   0.00005   0.00338  -0.00455  -0.00119   1.83846
   D216      -2.39387   0.00004   0.00320  -0.00573  -0.00255  -2.39641
   D217       1.67447   0.00004   0.00365  -0.00346   0.00018   1.67466
   D218      -2.00379   0.00005   0.00473  -0.00506  -0.00034  -2.00413
   D219       2.06455   0.00004   0.00518  -0.00279   0.00239   2.06694
   D220      -2.12323   0.00004   0.01649  -0.00405   0.01238  -2.11085
   D221       1.94511   0.00004   0.01695  -0.00177   0.01511   1.96022
   D222      -2.88594  -0.00003   0.00087  -0.00525  -0.00439  -2.89033
   D223       1.18240  -0.00003   0.00133  -0.00297  -0.00165   1.18074
   D224       3.06202  -0.00008  -0.00055  -0.00489  -0.00542   3.05660
   D225       0.84718  -0.00008  -0.00009  -0.00261  -0.00269   0.84449
   D226      -2.71431   0.00006   0.00008  -0.00251  -0.00248  -2.71678
   D227       1.35403   0.00006   0.00054  -0.00024   0.00026   1.35429
   D228      -2.66692   0.00004   0.00513  -0.00508   0.00004  -2.66689
   D229       1.40142   0.00003   0.00559  -0.00281   0.00277   1.40419
   D230      -1.56460  -0.00011  -0.00252  -0.00418  -0.00671  -1.57131
   D231       2.50374  -0.00011  -0.00206  -0.00191  -0.00398   2.49977
   D232      -0.08725  -0.00007   0.02421  -0.01400   0.01041  -0.07684
   D233      -2.30210  -0.00007   0.02466  -0.01172   0.01314  -2.28896
   D234      -0.21085   0.00008   0.01450  -0.01200   0.00252  -0.20833
   D235      -2.42569   0.00008   0.01496  -0.00972   0.00525  -2.42044
   D236       0.07802  -0.00004   0.00594  -0.00939  -0.00343   0.07459
   D237      -2.13682  -0.00005   0.00639  -0.00712  -0.00070  -2.13752
   D238      -0.02604   0.00008   0.00706  -0.01369  -0.00665  -0.03269
   D239      -2.24088   0.00008   0.00752  -0.01141  -0.00392  -2.24480
   D240      -0.59447   0.00001   0.00670  -0.01113  -0.00448  -0.59896
   D241      -2.80932   0.00001   0.00716  -0.00885  -0.00175  -2.81107
   D242      -0.79141  -0.00008   0.01198  -0.01093   0.00100  -0.79041
   D243      -3.00625  -0.00008   0.01243  -0.00865   0.00373  -3.00252
   D244      -2.91404  -0.00001  -0.01448  -0.00695  -0.02142  -2.93546
   D245       0.00218  -0.00001  -0.01022  -0.00254  -0.01275  -0.01057
   D246      -3.10877  -0.00005  -0.01008  -0.00645  -0.01650  -3.12527
   D247      -0.19255  -0.00005  -0.00582  -0.00204  -0.00783  -0.20038
   D248       2.78428   0.00006  -0.00494  -0.00630  -0.01123   2.77305
   D249      -0.58268   0.00006  -0.00069  -0.00189  -0.00256  -0.58524
   D250       2.54283  -0.00004  -0.00120  -0.00588  -0.00703   2.53580
   D251      -0.82413  -0.00004   0.00306  -0.00147   0.00164  -0.82249
   D252      -2.88518   0.00001  -0.00648  -0.00548  -0.01192  -2.89710
   D253       0.03105   0.00001  -0.00222  -0.00106  -0.00325   0.02779
   D254      -3.05877  -0.00002  -0.00789  -0.00244  -0.01030  -3.06907
   D255      -0.14254  -0.00002  -0.00363   0.00197  -0.00163  -0.14418
   D256      -0.64028   0.00004  -0.00881  -0.00604  -0.01485  -0.65513
   D257       2.27595   0.00004  -0.00455  -0.00163  -0.00618   2.26977
   D258      -0.88692   0.00001  -0.00891  -0.00457  -0.01346  -0.90039
   D259       2.02931   0.00001  -0.00465  -0.00016  -0.00479   2.02451
   D260      -0.72217   0.00000  -0.00965  -0.00276  -0.01238  -0.73456
   D261       2.19406   0.00000  -0.00539   0.00165  -0.00372   2.19034
   D262      -0.92852  -0.00004  -0.00679  -0.00205  -0.00881  -0.93734
   D263       1.98770  -0.00004  -0.00253   0.00236  -0.00014   1.98756
   D264      -1.29430  -0.00003  -0.00955  -0.00448  -0.01400  -1.30830
   D265       1.62193  -0.00003  -0.00529  -0.00007  -0.00534   1.61660
   D266      -1.53414  -0.00005  -0.00937  -0.00361  -0.01294  -1.54708
   D267       1.38209  -0.00004  -0.00511   0.00080  -0.00427   1.37782
   D268       1.99045   0.00004  -0.01064  -0.00225  -0.01290   1.97754
   D269      -1.37651   0.00004  -0.00638   0.00217  -0.00424  -1.38075
   D270       0.87061  -0.00002  -0.01133  -0.00418  -0.01552   0.85509
   D271      -2.49635  -0.00002  -0.00707   0.00024  -0.00685  -2.50320
   D272       0.94848  -0.00015   0.03135  -0.02393   0.00717   0.95566
   D273      -2.41847  -0.00015   0.03561  -0.01952   0.01584  -2.40263
   D274       1.13735  -0.00001   0.00543  -0.01551  -0.01009   1.12725
   D275      -2.22961  -0.00001   0.00968  -0.01110  -0.00142  -2.23103
   D276       1.60137  -0.00009  -0.00338  -0.01083  -0.01411   1.58726
   D277      -1.76559  -0.00009   0.00088  -0.00642  -0.00545  -1.77103
   D278       1.58594   0.00004  -0.00418  -0.01313  -0.01731   1.56863
   D279      -1.78102   0.00004   0.00008  -0.00872  -0.00865  -1.78966
   D280       0.83729  -0.00003  -0.00919  -0.01187  -0.02107   0.81622
   D281      -2.52967  -0.00003  -0.00493  -0.00745  -0.01240  -2.54207
   D282       0.79470  -0.00009   0.00136  -0.01075  -0.00942   0.78529
   D283      -2.57225  -0.00009   0.00561  -0.00634  -0.00075  -2.57300
   D284       1.59769   0.00009  -0.01007  -0.00317  -0.01324   1.58445
   D285      -2.61803   0.00010  -0.01195  -0.00099  -0.01294  -2.63097
   D286       1.64998  -0.00003  -0.00368  -0.00191  -0.00560   1.64439
   D287      -2.56574  -0.00002  -0.00557   0.00028  -0.00529  -2.57103
   D288       1.33119   0.00005   0.00289  -0.00167   0.00120   1.33239
   D289      -2.88453   0.00006   0.00100   0.00051   0.00150  -2.88303
   D290       1.23516  -0.00002   0.00755   0.00018   0.00775   1.24291
   D291      -2.98056  -0.00001   0.00566   0.00236   0.00805  -2.97251
   D292       2.04109   0.00002  -0.00054  -0.00108  -0.00163   2.03946
   D293      -2.17463   0.00003  -0.00243   0.00110  -0.00133  -2.17596
   D294       2.02372  -0.00001  -0.00264   0.00156  -0.00108   2.02264
   D295      -2.19200   0.00000  -0.00453   0.00375  -0.00078  -2.19278
   D296      -2.29799   0.00002   0.00123  -0.00216  -0.00093  -2.29892
   D297      -0.23052   0.00003  -0.00065   0.00002  -0.00063  -0.23116
   D298      -2.27148   0.00001   0.00081  -0.00066   0.00015  -2.27133
   D299      -0.20402   0.00002  -0.00108   0.00153   0.00045  -0.20357
   D300      -1.88217  -0.00001  -0.00003   0.00009   0.00006  -1.88211
   D301       0.18529   0.00000  -0.00192   0.00227   0.00036   0.18565
   D302      -1.82305  -0.00001   0.00316   0.00062   0.00379  -1.81926
   D303       0.24442   0.00000   0.00127   0.00280   0.00409   0.24851
   D304      -2.61614   0.00000   0.00004   0.00078   0.00084  -2.61531
   D305      -0.54868   0.00001  -0.00184   0.00297   0.00114  -0.54754
   D306      -2.74294   0.00000   0.00125   0.00216   0.00344  -2.73950
   D307      -0.67548   0.00001  -0.00064   0.00435   0.00374  -0.67174
   D308       1.52823  -0.00011  -0.00531   0.00114  -0.00418   1.52405
   D309      -2.68749  -0.00010  -0.00720   0.00333  -0.00388  -2.69137
   D310       2.62585   0.00003  -0.00286   0.00075  -0.00218   2.62368
   D311      -1.58987   0.00004  -0.00474   0.00293  -0.00187  -1.59174
   D312       3.00336  -0.00006   0.00123  -0.00124  -0.00005   3.00331
   D313      -1.21236  -0.00005  -0.00065   0.00095   0.00025  -1.21211
   D314      -0.47530  -0.00003   0.01853  -0.00935   0.00925  -0.46605
   D315       1.59217  -0.00002   0.01664  -0.00716   0.00955   1.60172
   D316      -0.30831   0.00003   0.00880  -0.00788   0.00095  -0.30736
   D317       1.75916   0.00004   0.00691  -0.00569   0.00125   1.76041
   D318       0.12215  -0.00004   0.00424  -0.00571  -0.00142   0.12073
   D319       2.18962  -0.00003   0.00235  -0.00353  -0.00112   2.18850
   D320       0.25658   0.00002   0.00307  -0.00853  -0.00547   0.25111
   D321       2.32405   0.00003   0.00118  -0.00634  -0.00517   2.31888
   D322      -0.54870   0.00002  -0.00056  -0.00690  -0.00745  -0.55616
   D323       1.51876   0.00003  -0.00244  -0.00472  -0.00715   1.51161
   D324      -0.60833  -0.00005   0.01284  -0.00739   0.00542  -0.60291
   D325       1.45913  -0.00004   0.01095  -0.00521   0.00572   1.46485
   D326       0.12426   0.00001  -0.02982   0.00163  -0.02812   0.09614
   D327       2.28929   0.00002  -0.02211   0.00170  -0.02029   2.26900
   D328       0.43490   0.00003  -0.03266   0.00050  -0.03213   0.40277
   D329       2.59993   0.00004  -0.02494   0.00057  -0.02429   2.57564
   D330       0.80472  -0.00008  -0.03703   0.00120  -0.03590   0.76882
   D331       2.96976  -0.00008  -0.02932   0.00127  -0.02807   2.94169
   D332       1.08600   0.00002  -0.03938   0.00247  -0.03702   1.04899
   D333      -3.03215   0.00003  -0.03166   0.00254  -0.02919  -3.06133
   D334       0.37932  -0.00003  -0.03431  -0.00307  -0.03724   0.34208
   D335       2.54435  -0.00003  -0.02659  -0.00300  -0.02941   2.51494
   D336       0.77873   0.00004  -0.04201  -0.00249  -0.04468   0.73405
   D337       2.94376   0.00005  -0.03430  -0.00242  -0.03685   2.90692
   D338      -2.28985  -0.00012  -0.03044  -0.00017  -0.03069  -2.32053
   D339      -0.12481  -0.00011  -0.02272  -0.00010  -0.02285  -0.14767
   D340      -1.91268  -0.00007  -0.02993  -0.00132  -0.03135  -1.94403
   D341       0.25235  -0.00006  -0.02222  -0.00125  -0.02352   0.22883
   D342      -1.86266  -0.00001  -0.03455  -0.00114  -0.03581  -1.89847
   D343       0.30237   0.00000  -0.02684  -0.00107  -0.02798   0.27439
   D344      -1.56039   0.00007  -0.03963   0.00052  -0.03923  -1.59963
   D345       0.60464   0.00008  -0.03192   0.00059  -0.03140   0.57324
   D346      -1.54637  -0.00004  -0.02473  -0.00239  -0.02724  -1.57361
   D347       0.61866  -0.00003  -0.01702  -0.00232  -0.01940   0.59926
   D348      -1.24503   0.00000  -0.02507  -0.00303  -0.02817  -1.27320
   D349       0.92000   0.00001  -0.01736  -0.00296  -0.02034   0.89967
   D350       1.90280  -0.00001  -0.04509   0.00435  -0.04099   1.86182
   D351      -2.21535   0.00000  -0.03737   0.00442  -0.03315  -2.24851
   D352       2.33908   0.00000  -0.05018   0.00750  -0.04280   2.29628
   D353      -1.77907   0.00000  -0.04246   0.00757  -0.03497  -1.81404
   D354       2.59930   0.00013  -0.06879   0.01719  -0.05136   2.54794
   D355      -1.51885   0.00014  -0.06108   0.01726  -0.04353  -1.56238
   D356      -3.06066  -0.00021  -0.05607   0.01060  -0.04515  -3.10581
   D357      -0.89562  -0.00021  -0.04836   0.01067  -0.03732  -0.93294
   D358       2.65337   0.00004  -0.03894   0.00339  -0.03555   2.61782
   D359      -1.46478   0.00004  -0.03123   0.00346  -0.02772  -1.49250
   D360       1.65762  -0.00006  -0.01936  -0.00234  -0.02176   1.63587
   D361      -2.46053  -0.00006  -0.01164  -0.00227  -0.01392  -2.47445
   D362       1.83911  -0.00017  -0.02741   0.00391  -0.02349   1.81562
   D363      -2.27904  -0.00017  -0.01970   0.00398  -0.01566  -2.29470
   D364       2.76137  -0.00002  -0.01057  -0.00010  -0.01058   2.75079
   D365      -1.35678  -0.00001  -0.00286  -0.00003  -0.00275  -1.35953
   D366       2.78459   0.00006  -0.03351   0.00143  -0.03203   2.75256
   D367      -1.33356   0.00007  -0.02579   0.00150  -0.02420  -1.35776
   D368       0.07646   0.00005  -0.01586  -0.00967  -0.02548   0.05098
   D369      -2.47923   0.00008  -0.04556   0.02638  -0.01913  -2.49836
   D370       0.47738  -0.00002  -0.01725  -0.00966  -0.02688   0.45050
   D371      -2.07831   0.00002  -0.04695   0.02639  -0.02053  -2.09884
   D372       0.68630  -0.00007  -0.01605  -0.00919  -0.02523   0.66107
   D373      -1.86939  -0.00004  -0.04575   0.02686  -0.01889  -1.88827
   D374       0.95549   0.00000  -0.01545  -0.00751  -0.02296   0.93253
   D375      -1.60019   0.00003  -0.04515   0.02855  -0.01662  -1.61681
   D376       0.72544  -0.00009  -0.02042  -0.01126  -0.03164   0.69380
   D377      -1.83024  -0.00006  -0.05011   0.02480  -0.02530  -1.85554
   D378       1.06346  -0.00005  -0.01999  -0.01032  -0.03031   1.03315
   D379      -1.49222  -0.00002  -0.04969   0.02574  -0.02397  -1.51619
   D380      -2.74559  -0.00006  -0.01265  -0.00929  -0.02194  -2.76753
   D381       0.98192  -0.00003  -0.04235   0.02677  -0.01560   0.96632
   D382      -2.19236  -0.00007  -0.01048  -0.01147  -0.02195  -2.21431
   D383       1.53514  -0.00004  -0.04018   0.02459  -0.01561   1.51953
   D384      -1.95444  -0.00004  -0.01124  -0.01303  -0.02426  -1.97870
   D385       1.77306  -0.00001  -0.04094   0.02303  -0.01791   1.75515
   D386      -1.62233   0.00003  -0.01280  -0.01308  -0.02584  -1.64817
   D387       2.10517   0.00006  -0.04250   0.02298  -0.01950   2.08568
   D388      -1.67936  -0.00003  -0.00390  -0.01514  -0.01906  -1.69842
   D389       2.04814   0.00000  -0.03360   0.02092  -0.01272   2.03542
   D390      -1.09820  -0.00001  -0.00560  -0.02023  -0.02569  -1.12389
   D391       2.62930   0.00002  -0.03530   0.01582  -0.01934   2.60996
   D392       1.80781  -0.00004  -0.01337  -0.01135  -0.02472   1.78309
   D393      -0.74787  -0.00001  -0.04307   0.02470  -0.01837  -0.76624
   D394       2.10780  -0.00001  -0.01445  -0.00981  -0.02426   2.08354
   D395      -0.44788   0.00002  -0.04415   0.02625  -0.01792  -0.46580
   D396       2.05514   0.00007  -0.01714  -0.00637  -0.02357   2.03157
   D397      -0.50054   0.00010  -0.04684   0.02968  -0.01723  -0.51776
   D398       2.24917   0.00003  -0.01466  -0.00631  -0.02106   2.22810
   D399      -0.30651   0.00006  -0.04436   0.02974  -0.01472  -0.32123
   D400       2.50719   0.00002  -0.01312  -0.01047  -0.02357   2.48362
   D401      -0.04850   0.00005  -0.04282   0.02558  -0.01722  -0.06572
   D402      -1.54620  -0.00010   0.00770  -0.01628  -0.00856  -1.55476
   D403       2.18130  -0.00007  -0.02199   0.01977  -0.00221   2.17909
   D404      -2.63765  -0.00001   0.00120  -0.01212  -0.01098  -2.64864
   D405       1.08985   0.00002  -0.02849   0.02393  -0.00464   1.08521
   D406      -2.97074  -0.00001  -0.01445  -0.01142  -0.02586  -2.99660
   D407       0.75676   0.00002  -0.04415   0.02463  -0.01952   0.73725
   D408       1.91445   0.00006   0.00133   0.00004   0.00143   1.91588
   D409       2.41819  -0.00001  -0.00614   0.00138  -0.00478   2.41341
   D410       2.63680  -0.00005   0.00040   0.00184   0.00227   2.63907
   D411       2.86168   0.00001   0.00425   0.00411   0.00845   2.87012
   D412       2.86406  -0.00015  -0.02130   0.00323  -0.01824   2.84582
   D413      -2.94459  -0.00006  -0.01144   0.00785  -0.00352  -2.94810
   D414      -0.76756  -0.00005   0.00786   0.00015   0.00804  -0.75952
   D415      -0.38779  -0.00002   0.00886   0.00011   0.00899  -0.37881
   D416      -0.07512  -0.00002   0.00598  -0.00002   0.00601  -0.06912
   D417       0.23246   0.00005   0.00679   0.00047   0.00736   0.23982
   D418      -0.25770   0.00003   0.01332   0.00105   0.01432  -0.24337
   D419       0.05166   0.00007   0.01602  -0.00045   0.01553   0.06719
   D420      -2.57297  -0.00004   0.00352   0.00181   0.00539  -2.56758
   D421      -2.19163  -0.00001   0.00436   0.00195   0.00637  -2.18525
   D422      -1.95207   0.00006   0.00468   0.00465   0.00937  -1.94270
   D423      -1.64162  -0.00004   0.00737   0.00333   0.01070  -1.63093
   D424      -1.97512   0.00006   0.00623  -0.00066   0.00564  -1.96948
   D425       1.27404   0.00000   0.03353  -0.00400   0.02978   1.30382
   D426       2.45293   0.00000   0.01764  -0.00170   0.01597   2.46890
   D427       2.93496  -0.00016   0.00984   0.00139   0.01129   2.94624
   D428      -3.06015  -0.00050  -0.00641   0.00765   0.00124  -3.05891
   D429       0.03585  -0.00041  -0.00837   0.00389  -0.00446   0.03138
   D430       0.04029   0.00020   0.00242   0.01420   0.01662   0.05691
   D431       3.13629   0.00028   0.00046   0.01044   0.01091  -3.13598
   D432      -0.12239   0.00022   0.02260   0.00811   0.03065  -0.09174
   D433       1.98807  -0.00019   0.01392   0.00322   0.01714   2.00521
   D434      -2.21867   0.00038   0.02208   0.00622   0.02830  -2.19038
   D435       3.06236   0.00015   0.02451   0.01177   0.03623   3.09859
   D436      -1.11036  -0.00026   0.01583   0.00688   0.02271  -1.08765
   D437       0.96608   0.00031   0.02399   0.00989   0.03387   0.99995
   D438      -2.37089  -0.00002   0.00397   0.00536   0.00927  -2.36163
   D439      -0.27961  -0.00009   0.00316   0.00547   0.00862  -0.27098
   D440       1.82691   0.00001   0.00426   0.00450   0.00873   1.83564
   D441       0.72736   0.00006   0.00215   0.00168   0.00376   0.73112
   D442       2.81865   0.00000   0.00133   0.00179   0.00311   2.82176
   D443      -1.35802   0.00009   0.00243   0.00082   0.00322  -1.35480
   D444       0.00445  -0.00007  -0.00266  -0.00535  -0.00802  -0.00357
   D445       3.11736  -0.00005  -0.00142  -0.00008  -0.00150   3.11586
   D446      -3.11547  -0.00009  -0.00227  -0.00650  -0.00877  -3.12424
   D447      -0.00256  -0.00007  -0.00103  -0.00123  -0.00225  -0.00481
   D448       2.43761  -0.00001  -0.01102   0.00292  -0.00809   2.42952
   D449      -1.76006  -0.00002  -0.01200   0.00271  -0.00929  -1.76935
   D450       0.34797  -0.00006  -0.01196   0.00301  -0.00894   0.33902
   D451      -0.67661  -0.00003  -0.01223  -0.00214  -0.01437  -0.69098
   D452       1.40890  -0.00004  -0.01321  -0.00236  -0.01556   1.39334
   D453      -2.76626  -0.00008  -0.01317  -0.00205  -0.01522  -2.78148
   D454       2.07008  -0.00007  -0.00450  -0.00372  -0.00822   2.06186
   D455      -2.12974   0.00004  -0.00329  -0.00410  -0.00739  -2.13712
   D456      -0.03470  -0.00002  -0.00435  -0.00429  -0.00864  -0.04334
   D457      -1.09884  -0.00005  -0.00329   0.00132  -0.00196  -1.10080
   D458       0.98453   0.00006  -0.00208   0.00094  -0.00113   0.98340
   D459       3.07957   0.00000  -0.00314   0.00075  -0.00239   3.07718
   D460      -3.07352  -0.00031  -0.00743  -0.00946  -0.01688  -3.09040
   D461      -0.02742  -0.00022  -0.00135  -0.00677  -0.00812  -0.03553
   D462       0.07774  -0.00004  -0.00542  -0.00556  -0.01098   0.06675
   D463       3.12384   0.00005   0.00066  -0.00287  -0.00222   3.12162
   D464       1.94823   0.00003  -0.00734   0.00937   0.00199   1.95022
   D465      -2.25095   0.00000  -0.00755   0.00711  -0.00050  -2.25145
   D466      -0.15977   0.00010  -0.00557   0.00780   0.00221  -0.15757
   D467      -1.10136  -0.00008  -0.01349   0.00663  -0.00687  -1.10823
   D468       0.98265  -0.00011  -0.01370   0.00438  -0.00936   0.97329
   D469       3.07382   0.00000  -0.01172   0.00506  -0.00665   3.06717
   D470      -1.63192   0.00001  -0.01310  -0.00460  -0.01768  -1.64960
   D471       0.47339  -0.00007  -0.01426  -0.00420  -0.01847   0.45492
   D472       2.56434  -0.00005  -0.01296  -0.00291  -0.01589   2.54846
   D473       1.41804   0.00013  -0.00696  -0.00190  -0.00887   1.40917
   D474      -2.75984   0.00004  -0.00813  -0.00149  -0.00966  -2.76950
   D475      -0.66889   0.00006  -0.00682  -0.00021  -0.00708  -0.67597
   D476       0.02104  -0.00005  -0.01032   0.00549  -0.00480   0.01624
   D477      -3.01954  -0.00011  -0.03196  -0.00652  -0.03843  -3.05797
   D478       3.13704  -0.00005  -0.01284   0.00253  -0.01036   3.12667
   D479       0.09646  -0.00011  -0.03448  -0.00948  -0.04399   0.05247
   D480      -0.30080   0.00029  -0.01781  -0.03315  -0.05110  -0.35189
   D481       1.80605   0.00005  -0.01998  -0.02855  -0.04863   1.75742
   D482      -2.38860  -0.00016  -0.02167  -0.03134  -0.05313  -2.44173
   D483       2.74491   0.00035   0.00267  -0.02204  -0.01944   2.72547
   D484      -1.43143   0.00011   0.00050  -0.01744  -0.01698  -1.44841
   D485       0.65711  -0.00010  -0.00119  -0.02023  -0.02147   0.63563
   D486      -0.15848   0.00010   0.06894   0.01466   0.08353  -0.07495
   D487       1.93629   0.00028   0.06916   0.01144   0.08063   2.01692
   D488      -2.26497   0.00031   0.07098   0.01365   0.08473  -2.18024
   D489       3.07895  -0.00001   0.04837   0.00337   0.05170   3.13065
   D490      -1.10947   0.00017   0.04859   0.00015   0.04881  -1.06066
   D491       0.97245   0.00020   0.05040   0.00236   0.05291   1.02536
         Item               Value     Threshold  Converged?
 Maximum Force            0.001156     0.000450     NO 
 RMS     Force            0.000143     0.000300     YES
 Maximum Displacement     0.178176     0.001800     NO 
 RMS     Displacement     0.015095     0.001200     NO 
 Predicted change in Energy=-2.319299D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:28:44 2016, MaxMem=  2952790016 cpu:         7.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.834124   -0.592850    1.669583
      2          6           0       -2.069270    1.112104   -1.365301
      3          8           0       -2.618083    0.128479   -1.892463
      4          7           0       -0.777151    1.161778   -0.940551
      5          1           0       -2.615175    2.056167   -1.167813
      6          6           0       -0.245971    2.329659   -0.238494
      7          1           0       -1.006533    3.122581   -0.219143
      8          1           0        0.022353    2.049400    0.796880
      9          1           0        0.656682    2.701886   -0.750493
     10          6           0        0.134056    0.026837   -1.105805
     11          1           0        0.695553   -0.126692   -0.172098
     12          1           0       -0.445189   -0.876953   -1.335886
     13          1           0        0.849768    0.224438   -1.920837
     14          6           0       -1.995845   -4.008962    2.606057
     15          8           0       -2.110044   -3.858206    3.834496
     16          7           0       -2.943640   -3.696458    1.680803
     17          1           0       -1.069156   -4.406448    2.146189
     18          6           0       -4.240952   -3.134187    2.065186
     19          1           0       -4.512216   -2.342864    1.347208
     20          1           0       -5.023066   -3.911530    2.047669
     21          1           0       -4.169689   -2.708061    3.074337
     22          6           0       -2.708432   -3.879548    0.248215
     23          1           0       -3.426631   -4.605840   -0.166606
     24          1           0       -2.841017   -2.917933   -0.274637
     25          1           0       -1.684255   -4.242802    0.085576
     26          6           0        1.544254    0.383112    2.613302
     27          8           0        1.359345    1.399749    3.303583
     28          7           0        1.171336   -0.880958    2.953337
     29          1           0        2.033109    0.428457    1.620152
     30          6           0        1.487738   -2.029021    2.103259
     31          1           0        2.226261   -2.680718    2.599601
     32          1           0        0.575756   -2.618461    1.917927
     33          1           0        1.892146   -1.677590    1.144209
     34          6           0        0.529353   -1.164428    4.239509
     35          1           0        1.277646   -1.476361    4.988126
     36          1           0        0.012601   -0.263544    4.593985
     37          1           0       -0.195836   -1.980145    4.104911
     38          6           0       -4.606965    1.115116    2.914611
     39          8           0       -4.857907    1.691884    1.843188
     40          7           0       -3.524761    1.354644    3.704352
     41          1           0       -5.253574    0.307287    3.312335
     42          6           0       -2.524132    2.371126    3.358486
     43          1           0       -2.583464    2.599045    2.286006
     44          1           0       -2.696994    3.289480    3.943541
     45          1           0       -1.523234    1.982308    3.594131
     46          6           0       -3.257249    0.552583    4.899536
     47          1           0       -4.078198   -0.160150    5.058179
     48          1           0       -2.313078   -0.004214    4.766709
     49          1           0       -3.161359    1.206937    5.780852
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.488938   0.000000
     3  O    3.717941   1.243629   0.000000
     4  N    3.317938   1.361049   2.315789   0.000000
     5  H    3.959565   1.108273   2.059395   2.056675   0.000000
     6  C    3.834586   2.465067   3.634243   1.462526   2.559601
     7  H    4.249308   2.546587   3.789689   2.101854   2.150568
     8  H    3.345087   3.150942   4.230178   2.108493   3.288863
     9  H    4.787083   3.214997   4.318634   2.112801   3.360975
    10  C    3.458399   2.469776   2.864164   1.464820   3.417645
    11  H    3.163599   3.256163   3.742319   2.102268   4.088673
    12  H    3.323056   2.568045   2.458077   2.103072   3.652435
    13  H    4.556573   3.101186   3.469295   2.118120   3.991003
    14  C    3.545837   6.480926   6.143475   6.387503   7.170179
    15  O    3.927534   7.193298   6.996415   7.055346   7.762607
    16  N    3.295987   5.758953   5.244460   5.930230   6.427690
    17  H    3.918655   6.617039   6.267013   6.373254   7.425509
    18  C    3.522459   5.874984   5.379747   6.283923   6.327339
    19  H    3.215378   5.026181   4.493412   5.609552   5.410691
    20  H    4.618001   6.753530   6.134350   7.259181   7.193794
    21  H    3.449974   6.222203   5.926428   6.527197   6.565838
    22  C    3.686067   5.284748   4.544772   5.527927   6.102995
    23  H    4.691669   5.997848   5.103539   6.394072   6.785515
    24  H    3.193719   4.245744   3.456542   4.620284   5.058699
    25  H    3.981670   5.561322   4.888023   5.575416   6.489577
    26  C    3.640954   5.423861   6.139365   4.315682   5.864878
    27  O    4.103492   5.799709   6.665955   4.757511   6.018395
    28  N    3.280826   5.755386   6.233814   4.809546   6.320463
    29  H    4.000125   5.119552   5.836269   3.872017   5.659393
    30  C    3.644919   5.877915   6.121958   4.957388   6.650005
    31  H    4.659491   6.968324   7.178990   6.026436   7.750548
    32  H    3.157895   5.629642   5.680261   4.928637   6.446393
    33  H    3.916347   5.456451   5.729349   4.419659   6.293039
    34  C    3.537972   6.584022   7.012778   5.826766   7.035583
    35  H    4.634267   7.633350   8.068130   6.806700   8.094961
    36  H    3.474328   6.460626   7.010577   5.769431   6.744226
    37  H    3.246444   6.557056   6.803093   5.972126   7.067294
    38  C    3.486530   4.975696   5.295004   5.434328   4.638857
    39  O    3.793865   4.290343   4.627757   4.968177   3.772092
    40  N    3.285007   5.280025   5.800853   5.400156   5.005745
    41  H    3.898913   5.715575   5.836755   6.233423   5.485568
    42  C    3.480468   4.909807   5.710583   4.795433   4.538157
    43  H    3.336117   3.975856   4.854328   3.967262   3.496367
    44  H    4.581256   5.772244   6.637552   5.662796   5.258678
    45  H    3.229856   5.064718   5.893903   4.668323   4.886092
    46  C    3.710781   6.400980   6.835178   6.374058   6.283769
    47  H    4.087258   6.849491   7.108212   6.973462   6.768714
    48  H    3.188742   6.237560   6.667474   6.024236   6.289276
    49  H    4.680098   7.229741   7.767753   7.131882   7.021642
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098887   0.000000
     8  H    1.105686   1.800729   0.000000
     9  H    1.102487   1.795995   1.795125   0.000000
    10  C    2.489907   3.416246   2.779109   2.748685   0.000000
    11  H    2.631452   3.668390   2.475377   2.887370   1.100299
    12  H    3.395043   4.190285   3.651140   3.790104   1.097861
    13  H    2.909103   3.839381   3.376550   2.746768   1.102528
    14  C    7.164611   7.734300   6.637017   7.958505   5.882353
    15  O    7.638958   8.147460   6.976678   8.468276   6.673539
    16  N    6.875696   7.339037   6.526355   7.733842   5.576766
    17  H    7.193016   7.892084   6.685058   7.867508   5.628250
    18  C    7.149855   7.404510   6.830370   8.122476   6.260029
    19  H    6.522865   6.679398   6.336968   7.521127   5.763732
    20  H    8.185329   8.411283   7.909072   9.155682   7.214641
    21  H    7.193681   7.406008   6.737468   8.196994   6.593594
    22  C    6.697377   7.221128   6.550622   7.459000   5.017266
    23  H    7.630394   8.098649   7.557513   8.391497   5.917963
    24  H    5.854297   6.313178   5.832789   6.636467   4.267736
    25  H    6.735795   7.402772   6.558222   7.376157   4.791187
    26  C    3.889305   4.694033   2.896910   4.180863   3.993412
    27  O    3.998510   4.579861   2.914302   4.315649   4.777962
    28  N    4.743902   5.553023   3.815425   5.178803   4.286802
    29  H    3.501905   4.458781   2.710788   3.561318   3.346422
    30  C    5.242866   6.176887   4.526312   5.587131   4.044391
    31  H    6.266626   7.216270   5.520963   6.531396   5.043631
    32  H    5.459788   6.326948   4.832384   5.952572   4.041740
    33  H    4.747785   5.770850   4.184163   4.929105   3.325435
    34  C    5.732564   6.373144   4.736817   6.313852   5.490697
    35  H    6.642646   7.313234   5.619012   7.125664   6.379921
    36  H    5.490393   5.972493   4.446101   6.145898   5.708474
    37  H    6.118994   6.737394   5.218037   6.798761   5.593600
    38  C    5.516833   5.178169   5.175738   6.607329   6.310735
    39  O    5.100010   4.597084   5.003950   6.177214   6.032299
    40  N    5.219881   4.986070   4.638761   6.256611   6.187700
    41  H    6.463317   6.199563   6.099007   7.561204   6.973175
    42  C    4.257934   3.958184   3.626282   5.206793   5.700136
    43  H    3.451020   3.006089   3.051211   4.441784   5.050302
    44  H    4.941475   4.495937   4.339830   5.798824   6.644966
    45  H    4.054758   4.013510   3.196554   4.913815   5.353491
    46  C    6.214913   6.153982   5.461506   7.201471   6.916754
    47  H    6.995703   6.932646   6.313106   8.021908   7.468116
    48  H    5.896775   6.028485   5.042927   6.825099   6.362063
    49  H    6.781778   6.656794   5.973755   7.711730   7.725182
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794042   0.000000
    13  H    1.790297   1.797816   0.000000
    14  C    5.480309   5.268105   6.819968   0.000000
    15  O    6.152102   6.196165   7.651949   1.242912   0.000000
    16  N    5.424038   4.826207   6.537215   1.360908   2.315046
    17  H    5.177350   4.997151   6.455081   1.108253   2.057765
    18  C    6.198350   5.574067   7.285889   2.469470   2.862766
    19  H    5.860083   5.088085   6.783954   3.269971   3.775353
    20  H    7.207979   6.450896   8.206427   3.079831   3.417790
    21  H    6.393230   6.055983   7.664612   2.576282   2.478470
    22  C    5.084063   4.080101   5.848784   2.466566   3.635922
    23  H    6.087297   4.915365   6.685544   3.176645   4.277986
    24  H    4.506536   3.321422   5.119215   3.194223   4.278248
    25  H    4.761538   3.858080   5.513910   2.550411   3.792573
    26  C    2.956120   4.598014   4.589761   5.641158   5.730095
    27  O    3.853699   5.473973   5.379181   6.402967   6.321758
    28  N    3.250174   4.583733   5.008281   4.464980   4.517511
    29  H    2.304215   4.072372   3.739054   6.074139   6.359600
    30  C    3.069798   4.109889   4.656010   4.038357   4.391713
    31  H    4.067976   5.087069   5.546984   4.426110   4.659934
    32  H    3.254454   3.829162   4.784692   3.003356   3.524730
    33  H    2.360039   3.500718   3.754833   4.763273   5.292472
    34  C    4.535063   5.667222   6.323092   4.139585   3.793006
    35  H    5.365477   6.581837   7.128083   4.775360   4.298895
    36  H    4.816710   5.979064   6.586492   4.691893   4.243117
    37  H    4.745805   5.557111   6.501009   3.098821   2.695261
    38  C    6.259917   6.273392   7.345121   5.759282   5.640455
    39  O    6.181384   6.014775   6.992770   6.424408   6.505348
    40  N    5.918807   6.314095   7.215028   5.684374   5.402978
    41  H    6.908091   6.791830   8.040133   5.453589   5.244594
    42  C    5.391706   6.075290   6.622894   6.445988   6.261201
    43  H    4.921775   5.456453   5.926497   6.641798   6.657179
    44  H    6.333884   7.092399   7.507658   7.453034   7.172574
    45  H    4.853388   5.800225   6.255887   6.090563   5.874838
    46  C    6.465874   6.987971   7.968235   5.259170   4.680325
    47  H    7.081357   7.388954   8.552159   5.016218   4.364246
    48  H    5.784347   6.441455   7.401294   4.561475   3.970327
    49  H    7.217475   7.897350   8.739020   6.216377   5.527137
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057756   0.000000
    18  C    1.465237   3.418406   0.000000
    19  H    2.098555   4.092849   1.102392   0.000000
    20  H    2.122466   3.985982   1.102847   1.792296   0.000000
    21  H    2.102870   3.655035   1.097746   1.798240   1.797397
    22  C    1.463268   2.562646   2.491098   2.612053   2.931994
    23  H    2.114988   3.308544   2.794597   2.931072   2.816679
    24  H    2.107221   3.348965   2.735207   2.398748   3.337915
    25  H    2.104588   2.156677   3.418272   3.633021   3.886799
    26  C    6.136256   5.476129   6.792675   6.761270   7.867248
    27  O    6.864431   6.399148   7.311192   7.232551   8.397748
    28  N    5.145814   4.254453   5.929479   6.084373   6.955230
    29  H    6.464258   5.768628   7.228716   7.113087   8.295050
    30  C    4.753517   3.491663   5.834444   6.055540   6.777721
    31  H    5.348251   3.747466   6.505082   6.862195   7.373756
    32  H    3.688421   2.440232   4.846477   5.127293   5.747666
    33  H    5.267693   4.149691   6.370618   6.442023   7.323038
    34  C    5.001983   4.177070   5.600308   5.930560   6.571156
    35  H    5.804005   4.708449   6.461184   6.894173   7.367178
    36  H    5.386175   4.932094   5.720850   5.944670   6.719335
    37  H    4.046289   3.238244   4.674961   5.134942   5.591480
    38  C    5.238337   6.602593   4.348801   3.797810   5.117802
    39  O    5.720578   7.185826   4.870408   4.079791   5.609576
    40  N    5.472301   6.453530   4.832122   4.494749   5.720324
    41  H    4.901802   6.410035   3.797964   3.381514   4.410321
    42  C    6.309214   7.037196   5.910040   5.497220   6.887284
    43  H    6.334773   7.168654   5.972100   5.387383   6.956727
    44  H    7.347390   8.068930   6.868444   6.462142   7.801249
    45  H    6.158470   6.566500   5.991843   5.717499   7.026926
    46  C    5.339751   6.079527   4.753260   4.751588   5.583866
    47  H    5.019897   5.963645   4.222487   4.327115   4.901918
    48  H    4.853152   5.272013   4.561979   4.690254   5.477621
    49  H    6.395395   7.007009   5.815243   5.838073   6.603129
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390372   0.000000
    23  H    3.828499   1.102445   0.000000
    24  H    3.609023   1.102569   1.789873   0.000000
    25  H    4.179175   1.098791   1.797572   1.795308   0.000000
    26  C    6.512838   6.469099   7.571474   6.202233   6.181566
    27  O    6.891798   7.331648   8.427032   7.006360   7.173385
    28  N    5.646194   5.600163   6.689550   5.537875   5.261222
    29  H    7.101205   6.551590   7.638416   6.208515   6.163959
    30  C    5.780189   4.947068   5.995274   5.018235   4.362731
    31  H    6.413603   5.596196   6.581275   5.830508   4.904342
    32  H    4.885137   3.894120   4.930928   4.070794   3.332214
    33  H    6.444619   5.178488   6.211463   5.094547   4.526772
    34  C    5.081479   5.812535   6.848866   5.900144   5.624199
    35  H    5.903655   6.643108   7.648210   6.836534   6.360901
    36  H    5.077061   6.274171   7.303907   6.236377   6.248165
    37  H    4.169347   4.979455   5.964743   5.201622   4.846655
    38  C    3.851417   5.971664   6.604273   5.436484   6.727032
    39  O    4.620486   6.181023   6.763812   5.459253   6.955700
    40  N    4.161541   6.325192   7.107835   5.878331   6.914797
    41  H    3.213063   5.778942   6.291229   5.393407   6.622335
    42  C    5.346658   6.984174   7.868852   6.424496   7.427071
    43  H    5.594904   6.792671   7.657453   6.087715   7.243020
    44  H    6.236573   8.065391   8.930943   7.506380   8.523192
    45  H    5.410497   6.852824   7.821109   6.380931   7.147579
    46  C    3.846518   6.448238   7.232137   6.244181   6.974542
    47  H    3.230457   6.232651   6.891086   6.129838   6.864823
    48  H    3.690788   5.965845   6.837584   5.846679   6.346185
    49  H    4.865097   7.529113   8.320516   7.333902   8.019830
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242670   0.000000
    28  N    1.361090   2.315090   0.000000
    29  H    1.107873   2.057014   2.057815   0.000000
    30  C    2.466115   3.635069   1.463144   2.563205   0.000000
    31  H    3.138850   4.230525   2.115924   3.265517   1.102942
    32  H    3.229702   4.322044   2.108484   3.390613   1.101590
    33  H    2.554556   3.796945   2.104076   2.163753   1.098556
    34  C    2.463627   2.853042   1.465175   3.414616   2.495915
    35  H    3.027954   3.334121   2.122774   3.942373   2.944831
    36  H    2.585968   2.499080   2.101331   3.661284   3.390672
    37  H    3.292081   3.805837   2.098450   4.116259   2.615994
    38  C    6.201945   5.985747   6.113475   6.799831   6.905744
    39  O    6.579789   6.393146   6.648588   7.009429   7.360705
    40  N    5.275337   4.900729   5.255023   6.007631   6.256024
    41  H    6.834096   6.702556   6.543721   7.481572   7.236401
    42  C    4.589038   4.003496   4.939300   5.250163   6.085392
    43  H    4.696332   4.244940   5.162778   5.144663   6.166610
    44  H    5.310809   4.520455   5.773823   5.996454   7.013207
    45  H    3.595683   2.955174   3.983669   4.354150   5.232534
    46  C    5.320716   4.957590   5.045304   6.225565   6.082660
    47  H    6.155041   5.922733   5.701538   7.036659   6.572966
    48  H    4.434658   4.195061   4.024691   5.383063   5.063597
    49  H    5.731916   5.158567   5.579104   6.700743   6.753534
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.786819   0.000000
    33  H    1.798906   1.793533   0.000000
    34  C    2.804984   2.739728   3.420735   0.000000
    35  H    2.838203   3.350099   3.897923   1.103482   0.000000
    36  H    3.836742   3.608886   4.175305   1.097395   1.796277
    37  H    2.936548   2.405348   3.635514   1.099732   1.790256
    38  C    7.823080   6.464795   7.291912   5.773512   6.756025
    39  O    8.359261   6.936091   7.576618   6.551598   7.587715
    40  N    7.111883   5.982568   6.715033   4.802911   5.720645
    41  H    8.086044   6.669743   7.726696   6.038861   6.974706
    42  C    6.975907   6.048182   6.387382   4.753958   5.649106
    43  H    7.148965   6.110526   6.294791   5.260184   6.230454
    44  H    7.854163   7.051083   7.319033   5.507650   6.293025
    45  H    6.065609   5.327522   5.573311   3.812030   4.663747
    46  C    6.768517   5.799779   6.752216   4.209764   4.968877
    47  H    7.221085   6.128928   7.298411   4.786263   5.515649
    48  H    5.697862   4.826511   5.797120   3.115036   3.887099
    49  H    7.366185   6.597112   7.440220   4.649781   5.247216
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.797041   0.000000
    38  C    5.105036   5.518652   0.000000
    39  O    5.925574   6.350913   1.242408   0.000000
    40  N    3.990352   4.728954   1.360967   2.314074   0.000000
    41  H    5.449869   5.607249   1.108547   2.057195   2.058988
    42  C    3.860435   4.991160   2.472404   2.864263   1.467691
    43  H    4.501193   5.475232   2.586841   2.488397   2.108621
    44  H    4.515414   5.835304   3.071570   3.410768   2.118018
    45  H    2.898680   4.209978   3.274625   3.777590   2.100529
    46  C    3.383983   4.051961   2.465382   3.633370   1.464011
    47  H    4.118349   4.392475   2.549664   3.791325   2.105645
    48  H    2.346458   2.970689   3.153583   4.230825   2.107907
    49  H    3.693913   4.664826   3.211471   4.314932   2.113227
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.422195   0.000000
    43  H    3.665378   1.098035   0.000000
    44  H    3.978442   1.102517   1.799170   0.000000
    45  H    4.098847   1.099320   1.793222   1.791228   0.000000
    46  C    2.562166   2.493872   3.387113   2.952697   2.599039
    47  H    2.155918   3.422198   4.187163   3.879445   3.641622
    48  H    3.295263   2.769454   3.606100   3.416638   2.438250
    49  H    3.358617   2.762110   3.806032   2.815730   2.840142
                   46         47         48         49
    46  C    0.000000
    47  H    1.098687   0.000000
    48  H    1.104140   1.795806   0.000000
    49  H    1.101858   1.797714   1.793029   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2145303      0.1944317      0.1850335
 Leave Link  202 at Mon Nov 14 03:28:44 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.5851785761 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842776865 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.4009008896 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4036
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.20D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     231
 GePol: Fraction of low-weight points (<1% of avg)   =       5.72%
 GePol: Cavity surface area                          =    467.024 Ang**2
 GePol: Cavity volume                                =    457.857 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039568113 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.3969440783 Hartrees.
 Leave Link  301 at Mon Nov 14 03:28:44 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:28:46 2016, MaxMem=  2952790016 cpu:        14.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:28:46 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001956    0.002149    0.002415
         Rot=    1.000000   -0.000028   -0.000527    0.000255 Ang=  -0.07 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50859067003    
 Leave Link  401 at Mon Nov 14 03:28:53 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48867888.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.88D-15 for   3837.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.20D-15 for   1670    563.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.66D-15 for   3837.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.34D-08 for   2189   1653.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.10D-15 for    316.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.56D-14 for   2430    159.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.11D-15 for    204.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.06D-15 for   2309    338.
 E= -1013.44704349855    
 DIIS: error= 1.49D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44704349855     IErMin= 1 ErrMin= 1.49D-03
 ErrMax= 1.49D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-03 BMatP= 2.39D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.49D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 GapD=    0.326 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.90D-04 MaxDP=1.43D-02              OVMax= 2.01D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.90D-04    CP:  9.99D-01
 E= -1013.45128242536     Delta-E=       -0.004238926814 Rises=F Damp=F
 DIIS: error= 3.03D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45128242536     IErMin= 2 ErrMin= 3.03D-04
 ErrMax= 3.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-05 BMatP= 2.39D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.03D-03
 Coeff-Com:  0.253D-01 0.975D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.252D-01 0.975D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.66D-05 MaxDP=2.80D-03 DE=-4.24D-03 OVMax= 5.97D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.48D-05    CP:  9.99D-01  9.52D-01
 E= -1013.45117032558     Delta-E=        0.000112099783 Rises=F Damp=F
 DIIS: error= 8.13D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45128242536     IErMin= 2 ErrMin= 3.03D-04
 ErrMax= 8.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-04 BMatP= 5.43D-05
 IDIUse=3 WtCom= 2.60D-01 WtEn= 7.40D-01
 Coeff-Com:  0.372D-02 0.663D+00 0.333D+00
 Coeff-En:   0.000D+00 0.739D+00 0.261D+00
 Coeff:      0.966D-03 0.719D+00 0.280D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.52D-05 MaxDP=2.16D-03 DE= 1.12D-04 OVMax= 5.02D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.98D-05    CP:  1.00D+00  9.66D-01  4.75D-01
 E= -1013.45132715274     Delta-E=       -0.000156827155 Rises=F Damp=F
 DIIS: error= 8.40D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45132715274     IErMin= 4 ErrMin= 8.40D-05
 ErrMax= 8.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.15D-06 BMatP= 5.43D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.624D-04 0.279D+00 0.154D+00 0.567D+00
 Coeff:     -0.624D-04 0.279D+00 0.154D+00 0.567D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.88D-06 MaxDP=5.29D-04 DE=-1.57D-04 OVMax= 5.73D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.85D-06    CP:  9.99D-01  9.72D-01  4.29D-01  5.93D-01
 E= -1013.45133167345     Delta-E=       -0.000004520711 Rises=F Damp=F
 DIIS: error= 3.33D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45133167345     IErMin= 5 ErrMin= 3.33D-05
 ErrMax= 3.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-06 BMatP= 6.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-04 0.155D+00 0.874D-01 0.371D+00 0.387D+00
 Coeff:     -0.122D-04 0.155D+00 0.874D-01 0.371D+00 0.387D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.61D-06 MaxDP=1.45D-04 DE=-4.52D-06 OVMax= 2.41D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.83D-06    CP:  9.99D-01  9.73D-01  4.23D-01  6.06D-01  6.30D-01
 E= -1013.45133257263     Delta-E=       -0.000000899186 Rises=F Damp=F
 DIIS: error= 4.70D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45133257263     IErMin= 6 ErrMin= 4.70D-06
 ErrMax= 4.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-08 BMatP= 1.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.158D-04 0.599D-01 0.340D-01 0.150D+00 0.189D+00 0.567D+00
 Coeff:     -0.158D-04 0.599D-01 0.340D-01 0.150D+00 0.189D+00 0.567D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.27D-07 MaxDP=2.32D-05 DE=-8.99D-07 OVMax= 3.42D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.66D-07    CP:  9.99D-01  9.73D-01  4.24D-01  6.09D-01  6.32D-01
                    CP:  8.89D-01
 E= -1013.45133258762     Delta-E=       -0.000000014986 Rises=F Damp=F
 DIIS: error= 1.40D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45133258762     IErMin= 7 ErrMin= 1.40D-06
 ErrMax= 1.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-09 BMatP= 1.92D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.168D-04 0.141D-01 0.815D-02 0.378D-01 0.566D-01 0.312D+00
 Coeff-Com:  0.571D+00
 Coeff:     -0.168D-04 0.141D-01 0.815D-02 0.378D-01 0.566D-01 0.312D+00
 Coeff:      0.571D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.42D-07 MaxDP=9.46D-06 DE=-1.50D-08 OVMax= 7.38D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.12D-07    CP:  9.99D-01  9.73D-01  4.24D-01  6.09D-01  6.32D-01
                    CP:  8.94D-01  7.77D-01
 E= -1013.45133259012     Delta-E=       -0.000000002497 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45133259012     IErMin= 8 ErrMin= 1.74D-07
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-11 BMatP= 2.67D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.465D-05 0.155D-02 0.928D-03 0.477D-02 0.880D-02 0.755D-01
 Coeff-Com:  0.199D+00 0.709D+00
 Coeff:     -0.465D-05 0.155D-02 0.928D-03 0.477D-02 0.880D-02 0.755D-01
 Coeff:      0.199D+00 0.709D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.17D-08 MaxDP=1.91D-06 DE=-2.50D-09 OVMax= 2.52D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.27D-08    CP:  9.99D-01  9.73D-01  4.24D-01  6.09D-01  6.33D-01
                    CP:  9.01D-01  7.86D-01  8.29D-01
 E= -1013.45133259015     Delta-E=       -0.000000000035 Rises=F Damp=F
 DIIS: error= 2.45D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45133259015     IErMin= 8 ErrMin= 1.74D-07
 ErrMax= 2.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.00D-11 BMatP= 5.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.230D-05 0.302D-03 0.197D-03 0.123D-02 0.300D-02 0.355D-01
 Coeff-Com:  0.109D+00 0.507D+00 0.344D+00
 Coeff:     -0.230D-05 0.302D-03 0.197D-03 0.123D-02 0.300D-02 0.355D-01
 Coeff:      0.109D+00 0.507D+00 0.344D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.99D-08 MaxDP=1.54D-06 DE=-3.55D-11 OVMax= 1.90D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.30D-08    CP:  9.99D-01  9.73D-01  4.24D-01  6.09D-01  6.33D-01
                    CP:  9.02D-01  7.88D-01  8.45D-01  5.52D-01
 E= -1013.45133259023     Delta-E=       -0.000000000074 Rises=F Damp=F
 DIIS: error= 7.81D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45133259023     IErMin=10 ErrMin= 7.81D-08
 ErrMax= 7.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-12 BMatP= 4.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.911D-06-0.222D-04 0.248D-07 0.159D-03 0.838D-03 0.144D-01
 Coeff-Com:  0.491D-01 0.262D+00 0.252D+00 0.422D+00
 Coeff:     -0.911D-06-0.222D-04 0.248D-07 0.159D-03 0.838D-03 0.144D-01
 Coeff:      0.491D-01 0.262D+00 0.252D+00 0.422D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.39D-09 MaxDP=3.70D-07 DE=-7.41D-11 OVMax= 4.82D-07

 Error on total polarization charges =  0.04321
 SCF Done:  E(RB97D) =  -1013.45133259     A.U. after   10 cycles
            NFock= 10  Conv=0.64D-08     -V/T= 2.0213
 KE= 9.923451910879D+02 PE=-6.030374867376D+03 EE= 2.175181399619D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.48
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:30:54 2016, MaxMem=  2952790016 cpu:      1397.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 03:31:03 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:31:03 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:31:40 2016, MaxMem=  2952790016 cpu:       441.7
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24615034D+00-2.54665033D+00 3.32500905D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000628540    0.000014645   -0.000135447
      2        6           0.000380349   -0.000381229   -0.000273873
      3        8           0.000016783    0.000537668    0.000011884
      4        7          -0.000116094   -0.000388457   -0.000280082
      5        1          -0.000424474   -0.000093437    0.000061108
      6        6           0.000470977   -0.000574086    0.002343760
      7        1           0.000249452    0.000222451    0.000347711
      8        1          -0.000354924    0.001179846   -0.001996944
      9        1          -0.000167927   -0.000359868   -0.000108785
     10        6          -0.000032911   -0.000063547   -0.000535231
     11        1           0.000180221    0.000157726    0.000534862
     12        1          -0.000142400    0.000154216   -0.000027506
     13        1           0.000064293   -0.000006252    0.000030852
     14        6          -0.000238191    0.000041151   -0.000045074
     15        8           0.000096874   -0.000055825    0.000097248
     16        7          -0.000032877   -0.000251772   -0.000141427
     17        1          -0.000054051    0.000104096   -0.000122636
     18        6           0.000091324    0.000476419   -0.000352348
     19        1           0.000000862   -0.000316658    0.000339165
     20        1           0.000055365   -0.000017886   -0.000108157
     21        1          -0.000050714   -0.000046202   -0.000113103
     22        6          -0.000015137    0.000085219    0.000026787
     23        1           0.000090027    0.000012066   -0.000049887
     24        1           0.000053540   -0.000004252    0.000033074
     25        1           0.000086522    0.000007892   -0.000007488
     26        6          -0.000252506    0.000006360    0.000029893
     27        8           0.000032033    0.000000100    0.000280739
     28        7           0.000181278    0.000092026   -0.000083058
     29        1           0.000017103   -0.000137571    0.000078244
     30        6           0.000119014    0.000068161    0.000105327
     31        1           0.000114834    0.000026585   -0.000041200
     32        1          -0.000308686   -0.000124302    0.000003044
     33        1          -0.000024076    0.000064585    0.000038306
     34        6          -0.000024278   -0.000116136   -0.000008352
     35        1          -0.000007150    0.000007989    0.000002363
     36        1          -0.000039680    0.000001916   -0.000083617
     37        1          -0.000020091    0.000037242    0.000092270
     38        6           0.000578070   -0.000098331    0.000127881
     39        8          -0.000249978    0.000358843   -0.000716916
     40        7          -0.000240702    0.000055621    0.000248587
     41        1          -0.000019229   -0.000081230    0.000128224
     42        6          -0.001394855   -0.000602201    0.000568096
     43        1          -0.000572252    0.000144984    0.000226685
     44        1           0.000486918    0.000333204   -0.000355017
     45        1           0.000386115   -0.000447585    0.000212868
     46        6           0.000741003   -0.000142201   -0.000894795
     47        1           0.000041416    0.000025910    0.000160443
     48        1          -0.000394332    0.000179767    0.000333281
     49        1           0.000014599   -0.000087660    0.000018242
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002343760 RMS     0.000388657
 Leave Link  716 at Mon Nov 14 03:31:40 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001622759 RMS     0.000095674
 Search for a local minimum.
 Step number  74 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .95674D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   46   56   57   59   60
                                                     61   62   63   64   65
                                                     66   67   68   69   70
                                                     71   72   73   74
 DE= -2.00D-04 DEPred=-2.32D-04 R= 8.63D-01
 TightC=F SS=  1.41D+00  RLast= 4.48D-01 DXNew= 1.0678D-01 1.3445D+00
 Trust test= 8.63D-01 RLast= 4.48D-01 DXMaxT set to 1.07D-01
 ITU=  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0
 ITU= -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00002   0.00006   0.00028   0.00094   0.00148
     Eigenvalues ---    0.00189   0.00225   0.00241   0.00340   0.00402
     Eigenvalues ---    0.00406   0.00568   0.00576   0.00681   0.00723
     Eigenvalues ---    0.00734   0.00838   0.00879   0.00997   0.01009
     Eigenvalues ---    0.01065   0.01102   0.01174   0.01222   0.01285
     Eigenvalues ---    0.01298   0.01490   0.01506   0.01562   0.01652
     Eigenvalues ---    0.01672   0.01726   0.01792   0.01834   0.01889
     Eigenvalues ---    0.01910   0.02012   0.02112   0.02133   0.02196
     Eigenvalues ---    0.02271   0.02466   0.02571   0.02803   0.03030
     Eigenvalues ---    0.03076   0.03679   0.03904   0.04245   0.04332
     Eigenvalues ---    0.04550   0.05192   0.05416   0.05746   0.06088
     Eigenvalues ---    0.06286   0.06337   0.06385   0.06638   0.06839
     Eigenvalues ---    0.07044   0.07250   0.07387   0.07803   0.07998
     Eigenvalues ---    0.08057   0.08163   0.08202   0.08268   0.08415
     Eigenvalues ---    0.08630   0.08759   0.08956   0.09209   0.09287
     Eigenvalues ---    0.09571   0.09708   0.09860   0.09922   0.10059
     Eigenvalues ---    0.10232   0.10442   0.10501   0.10742   0.10937
     Eigenvalues ---    0.11215   0.11302   0.11398   0.11741   0.13201
     Eigenvalues ---    0.13412   0.14218   0.14750   0.15064   0.15229
     Eigenvalues ---    0.15506   0.15886   0.20779   0.22102   0.22478
     Eigenvalues ---    0.23518   0.24254   0.24758   0.25788   0.26072
     Eigenvalues ---    0.26905   0.27579   0.28018   0.29125   0.29560
     Eigenvalues ---    0.29845   0.30236   0.32719   0.32809   0.32823
     Eigenvalues ---    0.32856   0.33295   0.33338   0.33357   0.33374
     Eigenvalues ---    0.33392   0.33422   0.33453   0.33486   0.33692
     Eigenvalues ---    0.33793   0.33808   0.33834   0.33918   0.33939
     Eigenvalues ---    0.34017   0.34114   0.34144   0.37263   0.38964
     Eigenvalues ---    0.40459   0.40871   0.85888   0.85976   0.86317
     Eigenvalues ---    0.88470
 Eigenvalue     1 is   2.47D-05 Eigenvector:
                         D354      D355      D272      D356      D357
   1                   -0.17350  -0.17033   0.15050  -0.14866  -0.14549
                         D273       R21      D412      D413      D482
   1                    0.14193  -0.14172  -0.12659  -0.12089   0.12069
 Eigenvalue     2 is   6.04D-05 Eigenvector:
                         D407      D405      D389      D403      D375
   1                   -0.21307  -0.21081  -0.20940  -0.20851  -0.20159
                         D383      D391      D395      D401      D397
   1                   -0.19848  -0.19821  -0.19611  -0.19609  -0.19533
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    74   73   72   71   70
 RFO step:  Lambda=-2.19177086D-05.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.72D-05 SmlDif=  1.00D-05
 RMS Error=  0.3527982495D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.48738    0.08601    0.08273    0.78940   -0.44553
 Iteration  1 RMS(Cart)=  0.01179054 RMS(Int)=  0.00090498
 Iteration  2 RMS(Cart)=  0.00054713 RMS(Int)=  0.00005390
 Iteration  3 RMS(Cart)=  0.00000553 RMS(Int)=  0.00005370
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005370
 ITry= 1 IFail=0 DXMaxC= 1.15D-01 DCOld= 1.00D+10 DXMaxT= 1.07D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59314   0.00020  -0.00142   0.00749   0.00610   6.59923
    R2        6.26999  -0.00012   0.00038   0.00264   0.00302   6.27301
    R3        7.24632  -0.00047   0.00433   0.00203   0.00634   7.25265
    R4        6.32130   0.00053   0.01441   0.01217   0.02657   6.34787
    R5        6.53543   0.00014   0.00377   0.00669   0.01047   6.54590
    R6        5.97834  -0.00016   0.00320   0.01653   0.01973   5.99806
    R7        6.70066  -0.00003  -0.00219   0.00068  -0.00150   6.69916
    R8        6.22851   0.00000   0.00117   0.00173   0.00294   6.23146
    R9        6.65648  -0.00006   0.00306   0.00526   0.00834   6.66482
   R10        6.07618   0.00006   0.00221   0.00353   0.00575   6.08193
   R11        6.96566  -0.00005  -0.00283  -0.00460  -0.00738   6.95828
   R12        6.03525  -0.00005  -0.00403  -0.00725  -0.01129   6.02396
   R13        6.88041  -0.00007   0.00207   0.00319   0.00524   6.88565
   R14        6.19986   0.00004  -0.00213   0.00183  -0.00032   6.19954
   R15        6.88790   0.00003  -0.00661  -0.00016  -0.00680   6.88110
   R16        5.96756  -0.00007  -0.00393   0.00164  -0.00229   5.96527
   R17        6.68580   0.00004   0.00226   0.00134   0.00359   6.68939
   R18        6.58859  -0.00003  -0.00704   0.00160  -0.00546   6.58313
   R19        6.20776   0.00002   0.00525  -0.00037   0.00475   6.21252
   R20        6.57713   0.00018   0.01009  -0.01128  -0.00124   6.57590
   R21        6.10354  -0.00010  -0.00302   0.02180   0.01877   6.12232
   R22        7.01236  -0.00038  -0.00141  -0.00275  -0.00422   7.00814
   R23        6.02585   0.00013  -0.00594  -0.00278  -0.00872   6.01713
   R24        2.35012  -0.00040  -0.00010  -0.00016  -0.00026   2.34986
   R25        2.57201   0.00007  -0.00023  -0.00056  -0.00077   2.57124
   R26        2.09433   0.00012   0.00014   0.00054   0.00069   2.09502
   R27        2.76377   0.00037   0.00148  -0.00127   0.00018   2.76395
   R28        2.76811  -0.00006   0.00020  -0.00068  -0.00048   2.76763
   R29        2.07660  -0.00002  -0.00011   0.00014   0.00003   2.07663
   R30        2.08944  -0.00162  -0.00474  -0.00172  -0.00640   2.08305
   R31        2.08340  -0.00020  -0.00026  -0.00014  -0.00040   2.08299
   R32        2.07926   0.00035   0.00083   0.00022   0.00104   2.08031
   R33        2.07466   0.00000   0.00007  -0.00015  -0.00008   2.07457
   R34        2.08348   0.00001  -0.00001   0.00007   0.00006   2.08353
   R35        2.34876   0.00012   0.00004  -0.00001   0.00003   2.34879
   R36        2.57174  -0.00005  -0.00011   0.00011  -0.00002   2.57172
   R37        2.09430  -0.00006  -0.00003   0.00001  -0.00001   2.09428
   R38        2.76890  -0.00004  -0.00007  -0.00045  -0.00056   2.76833
   R39        2.76518  -0.00009  -0.00021  -0.00003  -0.00026   2.76492
   R40        2.08322  -0.00035  -0.00109  -0.00004  -0.00117   2.08205
   R41        2.08408  -0.00003  -0.00002   0.00004   0.00001   2.08409
   R42        2.07444  -0.00008  -0.00018  -0.00018  -0.00036   2.07408
   R43        2.08332  -0.00004  -0.00007  -0.00007  -0.00014   2.08318
   R44        2.08355  -0.00002  -0.00014  -0.00037  -0.00072   2.08283
   R45        2.07641   0.00005   0.00007   0.00002   0.00009   2.07650
   R46        2.34831   0.00013  -0.00015   0.00033   0.00018   2.34849
   R47        2.57209  -0.00017  -0.00017   0.00024   0.00010   2.57218
   R48        2.09358  -0.00003   0.00000  -0.00007  -0.00007   2.09351
   R49        2.76494  -0.00002   0.00017   0.00048   0.00067   2.76561
   R50        2.76878  -0.00001  -0.00011   0.00020   0.00011   2.76889
   R51        2.08426   0.00004   0.00011  -0.00002   0.00009   2.08434
   R52        2.08170   0.00020   0.00073   0.00002   0.00088   2.08259
   R53        2.07597  -0.00002  -0.00014  -0.00011  -0.00025   2.07572
   R54        2.08528  -0.00001  -0.00001  -0.00008  -0.00009   2.08518
   R55        2.07378  -0.00001   0.00004  -0.00014  -0.00009   2.07368
   R56        2.07819  -0.00005  -0.00006  -0.00027  -0.00033   2.07786
   R57        2.34781   0.00083   0.00047   0.00071   0.00118   2.34899
   R58        2.57185  -0.00008  -0.00004  -0.00110  -0.00109   2.57077
   R59        2.09485   0.00009  -0.00008   0.00063   0.00055   2.09540
   R60        2.77353  -0.00039  -0.00091  -0.00180  -0.00255   2.77098
   R61        2.76658  -0.00015  -0.00170   0.00094  -0.00055   2.76604
   R62        2.07499  -0.00014  -0.00045   0.00059   0.00013   2.07512
   R63        2.08345   0.00001   0.00006  -0.00001   0.00005   2.08350
   R64        2.07741   0.00052   0.00129   0.00150   0.00293   2.08034
   R65        2.07622  -0.00007   0.00006  -0.00049  -0.00043   2.07579
   R66        2.08652  -0.00041  -0.00072  -0.00231  -0.00294   2.08358
   R67        2.08221  -0.00001   0.00007  -0.00050  -0.00043   2.08178
    A1        0.68033   0.00009   0.00019  -0.00067  -0.00047   0.67986
    A2        0.95754  -0.00011  -0.00027  -0.00033  -0.00061   0.95693
    A3        0.72685   0.00000  -0.00006  -0.00115  -0.00120   0.72565
    A4        1.01867   0.00003  -0.00036  -0.00179  -0.00215   1.01652
    A5        2.34264  -0.00003  -0.00069   0.00603   0.00533   2.34797
    A6        2.02687  -0.00004  -0.00112   0.00739   0.00626   2.03313
    A7        1.98690  -0.00005  -0.00137   0.00804   0.00666   1.99356
    A8        1.69373   0.00001  -0.00085   0.00845   0.00760   1.70132
    A9        1.65522  -0.00002  -0.00097   0.00640   0.00544   1.66065
   A10        1.37451  -0.00002  -0.00112   0.00683   0.00576   1.38027
   A11        1.72846   0.00004   0.00051  -0.00335  -0.00288   1.72558
   A12        2.03199   0.00001  -0.00023  -0.00382  -0.00408   2.02791
   A13        1.93635   0.00000  -0.00149  -0.00333  -0.00486   1.93149
   A14        2.01895   0.00001  -0.00088  -0.00190  -0.00281   2.01613
   A15        2.42771   0.00001   0.00001  -0.00360  -0.00362   2.42409
   A16        1.58843  -0.00003  -0.00117   0.01309   0.01197   1.60040
   A17        1.78688   0.00001  -0.00094   0.00528   0.00439   1.79127
   A18        1.56338   0.00005  -0.00009  -0.00416  -0.00420   1.55918
   A19        1.70640   0.00007  -0.00114  -0.00680  -0.00795   1.69845
   A20        2.19008   0.00001  -0.00107   0.00498   0.00384   2.19393
   A21        2.41064   0.00000  -0.00063  -0.00015  -0.00086   2.40977
   A22        0.64391  -0.00008  -0.00046  -0.00116  -0.00163   0.64229
   A23        0.65899   0.00001  -0.00058  -0.00149  -0.00206   0.65693
   A24        2.39172  -0.00002   0.00028   0.00423   0.00451   2.39623
   A25        2.22418  -0.00005  -0.00046   0.00705   0.00660   2.23078
   A26        2.32891  -0.00006  -0.00107   0.00799   0.00691   2.33582
   A27        2.06495   0.00000  -0.00060   0.00838   0.00777   2.07272
   A28        1.81703  -0.00004  -0.00060   0.00664   0.00604   1.82307
   A29        1.57733  -0.00004  -0.00094   0.00755   0.00666   1.58399
   A30        1.33518   0.00005   0.00042  -0.00239  -0.00201   1.33318
   A31        1.63327   0.00001  -0.00023  -0.00347  -0.00373   1.62954
   A32        1.58244   0.00000  -0.00121  -0.00405  -0.00529   1.57714
   A33        1.72944   0.00001  -0.00037  -0.00342  -0.00381   1.72562
   A34        2.03091   0.00001  -0.00013  -0.00290  -0.00306   2.02785
   A35        1.84961  -0.00002  -0.00181   0.01752   0.01571   1.86532
   A36        1.91528   0.00003  -0.00182   0.00971   0.00791   1.92319
   A37        1.56533   0.00009  -0.00091   0.00335   0.00250   1.56784
   A38        1.58725   0.00008  -0.00185  -0.00026  -0.00209   1.58515
   A39        2.27009   0.00001  -0.00205   0.00472   0.00260   2.27269
   A40        2.36642   0.00001  -0.00099  -0.00272  -0.00375   2.36267
   A41        0.68946   0.00005  -0.00061  -0.00036  -0.00097   0.68849
   A42        0.74785   0.00000  -0.00138  -0.00169  -0.00308   0.74477
   A43        2.65637   0.00002   0.00056   0.00148   0.00202   2.65839
   A44        2.60367   0.00004  -0.00050   0.00653   0.00603   2.60969
   A45        2.66538   0.00004  -0.00120   0.00717   0.00596   2.67134
   A46        2.36012   0.00010  -0.00074   0.00720   0.00645   2.36657
   A47        2.19682   0.00005  -0.00073   0.00631   0.00558   2.20241
   A48        1.96331   0.00006  -0.00106   0.00724   0.00624   1.96955
   A49        1.09323  -0.00004   0.00034  -0.00425  -0.00394   1.08929
   A50        1.45275  -0.00006  -0.00013  -0.00509  -0.00526   1.44749
   A51        1.55284  -0.00004  -0.00095  -0.00594  -0.00693   1.54591
   A52        1.78436   0.00000  -0.00014  -0.00552  -0.00568   1.77868
   A53        1.78022  -0.00007   0.00016  -0.00365  -0.00352   1.77670
   A54        1.70492  -0.00003  -0.00189   0.02121   0.01933   1.72424
   A55        1.64039  -0.00002  -0.00186   0.01235   0.01052   1.65090
   A56        1.23928   0.00004  -0.00091   0.00745   0.00666   1.24594
   A57        1.21213  -0.00001  -0.00174   0.00164  -0.00002   1.21211
   A58        1.93553  -0.00006  -0.00202   0.00459   0.00251   1.93804
   A59        1.98758  -0.00007  -0.00080  -0.00274  -0.00358   1.98400
   A60        0.84096  -0.00003  -0.00083  -0.00269  -0.00350   0.83746
   A61        0.77839   0.00000  -0.00152  -0.00478  -0.00628   0.77211
   A62        2.59675   0.00012   0.00128  -0.00487  -0.00356   2.59319
   A63        2.76930  -0.00001   0.00002   0.00136   0.00137   2.77067
   A64        2.61794  -0.00011  -0.00128   0.00803   0.00674   2.62468
   A65        2.39697  -0.00005  -0.00083   0.00345   0.00263   2.39961
   A66        2.20335  -0.00009  -0.00138   0.00565   0.00432   2.20767
   A67        0.85121   0.00016   0.00080  -0.00712  -0.00631   0.84490
   A68        1.22711   0.00013   0.00043  -0.00793  -0.00750   1.21961
   A69        1.40654   0.00010  -0.00024  -0.00973  -0.00997   1.39656
   A70        1.67464   0.00012   0.00050  -0.00963  -0.00912   1.66553
   A71        1.51714   0.00013   0.00075  -0.00510  -0.00436   1.51278
   A72        1.71893  -0.00008  -0.00211   0.02550   0.02336   1.74229
   A73        1.54974   0.00001  -0.00196   0.01697   0.01500   1.56474
   A74        1.11959   0.00009  -0.00108   0.01501   0.01405   1.13364
   A75        1.01486   0.00009  -0.00161   0.00778   0.00631   1.02117
   A76        1.76818   0.00002  -0.00190   0.00654   0.00455   1.77273
   A77        1.76292   0.00006  -0.00044  -0.00144  -0.00194   1.76097
   A78        1.99383   0.00000   0.00085   0.00346   0.00430   1.99813
   A79        1.94232  -0.00003   0.00043   0.00588   0.00631   1.94862
   A80        2.22466  -0.00004  -0.00006   0.00673   0.00667   2.23133
   A81        2.08411   0.00000   0.00031   0.00770   0.00802   2.09213
   A82        1.55610  -0.00002   0.00002   0.00606   0.00608   1.56218
   A83        1.39117  -0.00002  -0.00042   0.00719   0.00683   1.39799
   A84        1.19385   0.00004  -0.00008   0.00134   0.00123   1.19507
   A85        1.37802   0.00001  -0.00070  -0.00050  -0.00124   1.37678
   A86        1.21047   0.00000  -0.00149  -0.00190  -0.00344   1.20703
   A87        1.31165   0.00002  -0.00046  -0.00204  -0.00254   1.30911
   A88        1.80462   0.00001  -0.00085  -0.00055  -0.00144   1.80318
   A89        2.28023  -0.00003  -0.00185   0.01613   0.01425   2.29448
   A90        2.32368   0.00002  -0.00235   0.01109   0.00875   2.33243
   A91        1.92799   0.00009  -0.00156   0.00769   0.00614   1.93414
   A92        1.85515   0.00006  -0.00246   0.00579   0.00332   1.85847
   A93        2.60895  -0.00001  -0.00276   0.00387   0.00107   2.61002
   A94        2.55323   0.00001  -0.00117  -0.00388  -0.00504   2.54819
   A95        1.90941   0.00002   0.00203   0.00287   0.00488   1.91429
   A96        1.99315   0.00001   0.00172   0.00541   0.00713   2.00027
   A97        2.37180   0.00001   0.00123   0.00606   0.00730   2.37909
   A98        2.32930   0.00004   0.00118   0.00765   0.00885   2.33815
   A99        1.66752   0.00002   0.00104   0.00618   0.00722   1.67474
   A100       1.57578   0.00003   0.00039   0.00741   0.00785   1.58363
   A101       0.88852  -0.00001  -0.00039   0.00187   0.00145   0.88997
   A102       1.05667  -0.00003  -0.00056  -0.00042  -0.00102   1.05565
   A103       0.92551  -0.00002  -0.00079  -0.00229  -0.00312   0.92239
   A104       1.08160   0.00001   0.00058  -0.00258  -0.00203   1.07957
   A105       1.48318  -0.00004  -0.00071  -0.00043  -0.00118   1.48200
   A106       2.45221  -0.00004  -0.00322   0.01929   0.01606   2.46827
   A107       2.32507  -0.00001  -0.00355   0.01262   0.00908   2.33415
   A108       1.89181   0.00006  -0.00272   0.01194   0.00925   1.90107
   A109       1.72382   0.00000  -0.00321   0.00941   0.00621   1.73004
   A110       2.44634  -0.00007  -0.00319   0.00140  -0.00178   2.44456
   A111       2.28939  -0.00005  -0.00129  -0.00445  -0.00572   2.28367
   A112       0.71377  -0.00001  -0.00011  -0.00024  -0.00037   0.71340
   A113       1.00527  -0.00005  -0.00022  -0.00030  -0.00054   1.00473
   A114       0.69507  -0.00001   0.00010   0.00019   0.00028   0.69535
   A115       0.98245  -0.00001   0.00014   0.00014   0.00023   0.98268
   A116       1.80504   0.00000   0.00079   0.00254   0.00335   1.80839
   A117       1.42411   0.00002   0.00093   0.00246   0.00342   1.42752
   A118       1.19237   0.00003   0.00152   0.00459   0.00615   1.19851
   A119       0.92236   0.00000   0.00079   0.00487   0.00567   0.92803
   A120       1.24821   0.00002   0.00027  -0.00091  -0.00060   1.24761
   A121       1.91917   0.00002   0.00123  -0.02234  -0.02108   1.89809
   A122       1.96502  -0.00002   0.00147  -0.01433  -0.01287   1.95215
   A123       2.32300  -0.00006   0.00067  -0.00660  -0.00607   2.31692
   A124       2.23337  -0.00005   0.00182   0.00026   0.00201   2.23539
   A125       1.62083   0.00001   0.00177  -0.00914  -0.00730   1.61353
   A126       1.48517   0.00002   0.00104  -0.00367  -0.00256   1.48261
   A127       0.65585  -0.00003  -0.00014  -0.00022  -0.00038   0.65547
   A128       0.66067  -0.00001   0.00020   0.00010   0.00024   0.66091
   A129       2.16986  -0.00001   0.00080   0.00408   0.00487   2.17473
   A130       1.79707   0.00001   0.00084   0.00329   0.00415   1.80123
   A131       1.50611   0.00001   0.00104   0.00571   0.00679   1.51290
   A132       1.21602  -0.00002   0.00039   0.00580   0.00619   1.22221
   A133       1.64113   0.00002   0.00042  -0.00107  -0.00061   1.64052
   A134       1.76435   0.00003   0.00139  -0.02380  -0.02238   1.74197
   A135       1.96371   0.00000   0.00185  -0.01806  -0.01620   1.94752
   A136       2.39427  -0.00007   0.00106  -0.01637  -0.01541   2.37886
   A137       2.46728  -0.00003   0.00221  -0.00835  -0.00629   2.46099
   A138       1.73007   0.00003   0.00231  -0.01011  -0.00773   1.72234
   A139       1.69104   0.00003   0.00134  -0.00402  -0.00263   1.68842
   A140       0.70431  -0.00001   0.00019  -0.00009   0.00009   0.70440
   A141       0.83350  -0.00002   0.00036  -0.00047  -0.00016   0.83334
   A142       2.49524   0.00000   0.00081   0.00015   0.00092   2.49616
   A143       2.11604   0.00002   0.00108   0.00104   0.00213   2.11817
   A144       1.90190   0.00001   0.00122   0.00471   0.00595   1.90785
   A145       1.62064  -0.00002   0.00041   0.00512   0.00552   1.62616
   A146       1.83208   0.00003   0.00095  -0.00281  -0.00184   1.83024
   A147       1.33863   0.00003   0.00161  -0.02333  -0.02171   1.31692
   A148       1.57730   0.00000   0.00207  -0.01824  -0.01615   1.56114
   A149       2.00914  -0.00007   0.00128  -0.01871  -0.01747   1.99168
   A150       2.18227  -0.00001   0.00220  -0.01474  -0.01258   2.16969
   A151       1.43326   0.00005   0.00258  -0.00937  -0.00674   1.42652
   A152       1.49219   0.00004   0.00147  -0.00347  -0.00196   1.49022
   A153       0.76481   0.00000   0.00064   0.00027   0.00089   0.76570
   A154       0.76720   0.00001   0.00103  -0.00005   0.00094   0.76814
   A155       2.80751  -0.00005   0.00054   0.00100   0.00140   2.80891
   A156       2.42558  -0.00003   0.00077   0.00144   0.00220   2.42778
   A157       2.16103  -0.00002   0.00085   0.00565   0.00652   2.16755
   A158       1.86960  -0.00005   0.00021   0.00572   0.00592   1.87552
   A159       2.14278  -0.00002   0.00057  -0.00347  -0.00287   2.13991
   A160       1.20255   0.00003   0.00116  -0.02216  -0.02101   1.18154
   A161       1.52689  -0.00001   0.00145  -0.01831  -0.01685   1.51004
   A162       1.92519  -0.00007   0.00080  -0.02126  -0.02050   1.90470
   A163       2.18200  -0.00001   0.00121  -0.01881  -0.01762   2.16438
   A164       1.50660   0.00002   0.00181  -0.00876  -0.00691   1.49968
   A165       1.64361   0.00000   0.00068  -0.00363  -0.00292   1.64068
   A166       2.16403  -0.00001   0.00006   0.00778   0.00785   2.17187
   A167       1.86488  -0.00001  -0.00012   0.00552   0.00542   1.87031
   A168       1.48140   0.00000  -0.00032   0.00666   0.00638   1.48777
   A169       1.20187  -0.00003  -0.00064   0.00609   0.00545   1.20732
   A170       1.86973   0.00000  -0.00038   0.00071   0.00036   1.87009
   A171       1.96693   0.00003   0.00174  -0.02169  -0.01996   1.94697
   A172       2.27233  -0.00001   0.00224  -0.01840  -0.01613   2.25620
   A173       2.68925  -0.00008   0.00146  -0.02079  -0.01939   2.66986
   A174       2.11754   0.00003   0.00267  -0.00972  -0.00698   2.11056
   A175       2.09844   0.00002   0.00152  -0.00368  -0.00210   2.09634
   A176       2.27244   0.00000  -0.00044   0.00982   0.00940   2.28183
   A177       2.05227  -0.00001  -0.00065   0.00682   0.00619   2.05846
   A178       1.64377   0.00000  -0.00106   0.00723   0.00620   1.64997
   A179       1.39132  -0.00002  -0.00108   0.00625   0.00515   1.39647
   A180       2.13553   0.00000  -0.00066   0.00152   0.00086   2.13640
   A181       1.90000   0.00002   0.00174  -0.01852  -0.01684   1.88316
   A182       2.27368  -0.00001   0.00223  -0.01734  -0.01513   2.25855
   A183       2.59228  -0.00005   0.00124  -0.02017  -0.01902   2.57326
   A184       2.25712   0.00004   0.00293  -0.00948  -0.00653   2.25059
   A185       2.31626   0.00002   0.00177  -0.00399  -0.00221   2.31405
   A186       0.69060  -0.00001   0.00018   0.00023   0.00042   0.69102
   A187       0.98058   0.00001   0.00060   0.00023   0.00087   0.98145
   A188       0.70003  -0.00003  -0.00042  -0.00018  -0.00059   0.69944
   A189       2.11073  -0.00002  -0.00135   0.00882   0.00742   2.11815
   A190       1.72954   0.00000  -0.00156   0.00615   0.00458   1.73412
   A191       1.39987   0.00007  -0.00120   0.01229   0.01114   1.41101
   A192       1.09564  -0.00001  -0.00113   0.01019   0.00910   1.10475
   A193       1.61832  -0.00005  -0.00164  -0.00359  -0.00521   1.61311
   A194       1.40822  -0.00003  -0.00054  -0.00688  -0.00739   1.40083
   A195       0.66620   0.00002   0.00050  -0.00009   0.00045   0.66665
   A196       2.25472   0.00001   0.00007   0.00303   0.00304   2.25776
   A197       1.85579   0.00001  -0.00024   0.00419   0.00394   1.85973
   A198       1.63737   0.00006  -0.00047   0.01265   0.01223   1.64960
   A199       1.31676  -0.00002  -0.00001   0.01145   0.01148   1.32824
   A200       1.60865  -0.00003  -0.00011  -0.00401  -0.00408   1.60457
   A201       1.34258   0.00000   0.00066  -0.00556  -0.00486   1.33772
   A202       0.70917  -0.00001   0.00049  -0.00031   0.00020   0.70936
   A203       2.63695   0.00001   0.00143  -0.00080   0.00053   2.63747
   A204       2.25097   0.00001   0.00077   0.00324   0.00402   2.25499
   A205       2.04710   0.00005  -0.00017   0.01282   0.01271   2.05981
   A206       1.72696  -0.00002   0.00027   0.01150   0.01182   1.73878
   A207       1.94720  -0.00002   0.00134  -0.00424  -0.00284   1.94436
   A208       1.66500   0.00000   0.00186  -0.00450  -0.00259   1.66241
   A209       0.83585   0.00000   0.00000  -0.00097  -0.00094   0.83491
   A210       2.67490   0.00002   0.00200  -0.01056  -0.00866   2.66624
   A211       2.38083   0.00001   0.00123  -0.00036   0.00087   2.38170
   A212       2.29080   0.00006   0.00022   0.01203   0.01233   2.30312
   A213       1.97263  -0.00001   0.00074   0.01126   0.01208   1.98471
   A214       2.00668  -0.00002   0.00148  -0.00495  -0.00339   2.00330
   A215       1.72809   0.00001   0.00159  -0.00371  -0.00207   1.72603
   A216       1.92948   0.00002   0.00120  -0.00156  -0.00042   1.92906
   A217       1.56045   0.00001   0.00089   0.00219   0.00307   1.56352
   A218       1.48824   0.00002   0.00053   0.01156   0.01213   1.50038
   A219       1.19360  -0.00004   0.00134   0.01135   0.01273   1.20633
   A220       1.23852  -0.00002   0.00077  -0.00393  -0.00312   1.23540
   A221       0.95776   0.00001   0.00126  -0.00447  -0.00316   0.95460
   A222       0.72556  -0.00010  -0.00030  -0.00016  -0.00042   0.72513
   A223       1.01596  -0.00001  -0.00019  -0.00057  -0.00068   1.01528
   A224       0.69657   0.00004   0.00038   0.00037   0.00083   0.69740
   A225       0.98036   0.00001   0.00001   0.00007   0.00021   0.98057
   A226       0.65636   0.00000  -0.00029  -0.00112  -0.00136   0.65500
   A227       0.66267  -0.00001  -0.00004   0.00062   0.00064   0.66331
   A228       0.70552  -0.00008  -0.00113   0.00050  -0.00053   0.70499
   A229       0.85225  -0.00006  -0.00043   0.00155   0.00126   0.85350
   A230       0.75562  -0.00007  -0.00026  -0.00307  -0.00321   0.75241
   A231       0.77922  -0.00007   0.00088  -0.00224  -0.00122   0.77800
   A232       1.58276   0.00030   0.00227   0.01065   0.01293   1.59568
   A233       1.86969  -0.00016  -0.00520  -0.00947  -0.01466   1.85503
   A234       2.18965   0.00006  -0.00022   0.00169   0.00145   2.19110
   A235       2.13164  -0.00012  -0.00112  -0.00169  -0.00275   2.12889
   A236       1.96160   0.00006   0.00127   0.00002   0.00127   1.96287
   A237       2.12204   0.00002   0.00141  -0.00020   0.00122   2.12326
   A238       2.12595   0.00009   0.00037  -0.00072  -0.00033   2.12562
   A239       2.03413  -0.00011  -0.00169   0.00113  -0.00061   2.03351
   A240       1.82815   0.00009   0.00268  -0.01263  -0.00995   1.81820
   A241       2.54544  -0.00012  -0.00285   0.01458   0.01178   2.55721
   A242       1.91058   0.00001   0.00212   0.00049   0.00262   1.91319
   A243       1.91265   0.00042   0.00324   0.00019   0.00342   1.91607
   A244       1.92201  -0.00014  -0.00416   0.00231  -0.00173   1.92028
   A245       1.91173  -0.00015  -0.00060  -0.00300  -0.00359   1.90814
   A246       1.90840   0.00003   0.00038  -0.00192  -0.00156   1.90684
   A247       1.89838  -0.00017  -0.00101   0.00189   0.00079   1.89917
   A248       1.28743   0.00009  -0.00034  -0.00624  -0.00658   1.28085
   A249       1.90691  -0.00017  -0.00227  -0.00211  -0.00439   1.90252
   A250       1.91057  -0.00003  -0.00069  -0.00080  -0.00154   1.90903
   A251       1.92660   0.00011   0.00087   0.00175   0.00264   1.92924
   A252       1.90945   0.00008   0.00138   0.00066   0.00206   1.91151
   A253       1.89763   0.00000   0.00030   0.00062   0.00093   1.89856
   A254       1.91253   0.00001   0.00042  -0.00011   0.00031   1.91285
   A255       1.71971   0.00003   0.00198   0.00226   0.00423   1.72394
   A256       1.76992  -0.00008  -0.00393  -0.00300  -0.00694   1.76298
   A257       2.18967   0.00006   0.00082   0.00035   0.00117   2.19085
   A258       2.12992   0.00001   0.00001  -0.00035  -0.00034   2.12959
   A259       1.96339  -0.00007  -0.00084   0.00000  -0.00085   1.96255
   A260       2.12514  -0.00002  -0.00022   0.00063   0.00039   2.12554
   A261       2.12345   0.00001  -0.00065  -0.00033  -0.00098   2.12247
   A262       2.03440   0.00000   0.00081  -0.00033   0.00050   2.03490
   A263       1.34778   0.00002   0.00158   0.00296   0.00454   1.35232
   A264       1.89913   0.00009   0.00080   0.00055   0.00134   1.90047
   A265       1.93184  -0.00006  -0.00019  -0.00048  -0.00067   1.93117
   A266       1.90991   0.00001  -0.00022   0.00069   0.00049   1.91040
   A267       1.89770  -0.00003  -0.00022  -0.00061  -0.00081   1.89688
   A268       1.91352  -0.00002  -0.00016  -0.00024  -0.00041   1.91311
   A269       1.91161   0.00001  -0.00001   0.00007   0.00006   1.91167
   A270       2.66168   0.00002   0.00029   0.00140   0.00167   2.66336
   A271       1.70194  -0.00001  -0.00026  -0.00181  -0.00208   1.69986
   A272       1.92421  -0.00003  -0.00026   0.00077   0.00050   1.92471
   A273       1.91326   0.00000   0.00055  -0.00038   0.00009   1.91335
   A274       1.91357   0.00003   0.00009  -0.00049  -0.00039   1.91318
   A275       1.89421   0.00002   0.00011  -0.00026  -0.00010   1.89411
   A276       1.91106   0.00000  -0.00022  -0.00005  -0.00026   1.91080
   A277       1.90734  -0.00001  -0.00028   0.00040   0.00017   1.90750
   A278       1.79795   0.00004   0.00625  -0.00093   0.00532   1.80327
   A279       1.75997  -0.00002  -0.00375   0.00034  -0.00341   1.75656
   A280       2.18983   0.00005  -0.00010   0.00037   0.00028   2.19011
   A281       2.12956   0.00002   0.00089  -0.00014   0.00074   2.13030
   A282       1.96369  -0.00007  -0.00077  -0.00025  -0.00101   1.96268
   A283       2.12272   0.00005  -0.00028   0.00145   0.00115   2.12387
   A284       2.11652  -0.00006  -0.00072   0.00007  -0.00063   2.11588
   A285       2.04088   0.00001   0.00086  -0.00150  -0.00062   2.04025
   A286       2.68284   0.00007   0.00520   0.00058   0.00579   2.68863
   A287       1.67657  -0.00004  -0.00452  -0.00047  -0.00499   1.67158
   A288       1.92514   0.00002   0.00069  -0.00184  -0.00114   1.92400
   A289       1.91620  -0.00003   0.00023   0.00016   0.00044   1.91664
   A290       1.91326  -0.00002  -0.00066   0.00062  -0.00004   1.91321
   A291       1.89008   0.00005   0.00066  -0.00016   0.00047   1.89055
   A292       1.91282  -0.00002  -0.00079   0.00014  -0.00066   1.91216
   A293       1.90611   0.00000  -0.00012   0.00109   0.00095   1.90706
   A294       1.35660  -0.00005   0.00051  -0.00104  -0.00052   1.35608
   A295       1.14880   0.00004   0.00051   0.00097   0.00148   1.15028
   A296       1.93167  -0.00002   0.00033  -0.00058  -0.00024   1.93143
   A297       1.90821  -0.00002  -0.00046  -0.00095  -0.00142   1.90680
   A298       1.90181   0.00002   0.00032   0.00072   0.00105   1.90286
   A299       1.90948   0.00003  -0.00003  -0.00003  -0.00007   1.90941
   A300       1.89708   0.00000   0.00030   0.00051   0.00080   1.89788
   A301       1.91552  -0.00001  -0.00046   0.00035  -0.00011   1.91541
   A302       1.65098   0.00013  -0.00347   0.00164  -0.00176   1.64923
   A303       1.80804  -0.00011   0.00063  -0.00255  -0.00198   1.80606
   A304       2.18870   0.00014   0.00103  -0.00437  -0.00344   2.18526
   A305       2.12927  -0.00001   0.00024   0.00027   0.00055   2.12981
   A306       1.96479  -0.00013  -0.00124   0.00408   0.00290   1.96770
   A307       2.12618  -0.00010   0.00014  -0.00142  -0.00138   2.12481
   A308       2.12070   0.00021   0.00135   0.00131   0.00268   2.12338
   A309       2.03446  -0.00011  -0.00192  -0.00015  -0.00194   2.03253
   A310       1.28025   0.00021   0.00727  -0.01823  -0.01092   1.26933
   A311       3.07733  -0.00008  -0.00601   0.02034   0.01432   3.09165
   A312       1.91462   0.00005  -0.00176  -0.00024  -0.00192   1.91270
   A313       1.92297   0.00004   0.00123  -0.00405  -0.00290   1.92008
   A314       1.90209  -0.00005  -0.00068   0.00022  -0.00046   1.90163
   A315       1.91446  -0.00015  -0.00179   0.00066  -0.00112   1.91334
   A316       1.90920   0.00006   0.00199   0.00161   0.00358   1.91277
   A317       1.90034   0.00004   0.00102   0.00185   0.00289   1.90323
   A318       1.78442   0.00002   0.00561   0.00272   0.00834   1.79276
   A319       1.91425  -0.00008   0.00123  -0.00051   0.00069   1.91494
   A320       1.91167   0.00033   0.00149   0.00261   0.00416   1.91583
   A321       1.92147  -0.00003  -0.00055  -0.00150  -0.00204   1.91943
   A322       1.90624  -0.00004   0.00082  -0.00172  -0.00091   1.90533
   A323       1.91217  -0.00006  -0.00125   0.00058  -0.00068   1.91149
   A324       1.89788  -0.00013  -0.00177   0.00055  -0.00124   1.89663
   A325       2.94444  -0.00016  -0.00164   0.00771   0.00605   2.95049
   A326       3.36161   0.00005  -0.00210  -0.00040  -0.00251   3.35910
   A327       3.08091   0.00005  -0.00226   0.00002  -0.00219   3.07872
   A328       3.19996   0.00010   0.00008  -0.00636  -0.00627   3.19369
   A329       3.25939   0.00003   0.00157   0.00304   0.00460   3.26399
   A330       3.26608  -0.00002   0.00048  -0.00108  -0.00059   3.26549
   A331       3.69659  -0.00004   0.00436   0.00330   0.00766   3.70425
   A332       3.21897   0.00004   0.00035  -0.00158  -0.00120   3.21778
   A333       2.98306   0.00000   0.00131  -0.01832  -0.01705   2.96601
   A334       2.91598   0.00000   0.00180  -0.02009  -0.01834   2.89764
   A335       3.22962   0.00008  -0.00023  -0.00280  -0.00304   3.22659
   A336       3.07969   0.00003   0.00014   0.00013   0.00026   3.07995
   A337       3.09995   0.00003   0.00116   0.00120   0.00236   3.10231
   A338       3.05119  -0.00002  -0.00349   0.00018  -0.00329   3.04790
    D1        2.76079   0.00003  -0.00212  -0.00216  -0.00428   2.75650
    D2       -1.35685  -0.00002  -0.00364  -0.00204  -0.00568  -1.36252
    D3        2.78388   0.00007  -0.00201  -0.00643  -0.00840   2.77548
    D4       -1.33376   0.00002  -0.00352  -0.00630  -0.00979  -1.34355
    D5        1.66368   0.00001  -0.00100  -0.00291  -0.00389   1.65978
    D6       -2.45396  -0.00004  -0.00252  -0.00278  -0.00529  -2.45925
    D7        1.84304   0.00006  -0.00032  -0.00129  -0.00161   1.84143
    D8       -2.27459   0.00001  -0.00184  -0.00117  -0.00300  -2.27760
    D9        0.32740  -0.00003  -0.00356   0.00012  -0.00343   0.32398
   D10        2.49296  -0.00008  -0.00507   0.00025  -0.00482   2.48813
   D11        0.03601   0.00001  -0.00288  -0.00349  -0.00637   0.02963
   D12        2.20156  -0.00004  -0.00440  -0.00337  -0.00777   2.19379
   D13       -0.43510   0.00002  -0.00235  -0.00485  -0.00720  -0.44230
   D14        1.73046  -0.00003  -0.00387  -0.00472  -0.00860   1.72186
   D15       -0.55772   0.00002  -0.00268  -0.00534  -0.00802  -0.56574
   D16        1.60783  -0.00002  -0.00420  -0.00522  -0.00942   1.59841
   D17        0.21050   0.00002  -0.00212  -0.00455  -0.00667   0.20384
   D18        2.37606  -0.00003  -0.00364  -0.00442  -0.00806   2.36799
   D19        0.14343   0.00002  -0.00163  -0.00632  -0.00796   0.13547
   D20        2.30898  -0.00003  -0.00315  -0.00620  -0.00935   2.29963
   D21        2.40192   0.00001  -0.00219   0.00441   0.00222   2.40415
   D22       -1.71571  -0.00004  -0.00370   0.00454   0.00083  -1.71488
   D23        2.15697   0.00000  -0.00287   0.00435   0.00148   2.15845
   D24       -1.96066  -0.00005  -0.00438   0.00448   0.00008  -1.96058
   D25        1.71771   0.00001  -0.00292   0.00481   0.00189   1.71960
   D26       -2.39992  -0.00004  -0.00443   0.00494   0.00050  -2.39943
   D27        1.41210  -0.00002  -0.00321   0.00550   0.00225   1.41435
   D28       -2.70553  -0.00007  -0.00472   0.00562   0.00086  -2.70468
   D29        2.36254   0.00000  -0.00416   0.00280  -0.00135   2.36119
   D30       -1.75510  -0.00005  -0.00567   0.00293  -0.00275  -1.75784
   D31       -1.75961   0.00000  -0.00371   0.01559   0.01183  -1.74778
   D32        0.40594  -0.00005  -0.00522   0.01572   0.01043   0.41637
   D33       -2.11036   0.00003  -0.00388   0.01107   0.00717  -2.10320
   D34        0.05519  -0.00002  -0.00539   0.01119   0.00577   0.06096
   D35       -2.48476   0.00009  -0.00344   0.01631   0.01293  -2.47183
   D36       -0.31921   0.00004  -0.00495   0.01643   0.01154  -0.30767
   D37       -2.77256   0.00002  -0.00343   0.01377   0.01038  -2.76217
   D38       -0.60701  -0.00003  -0.00495   0.01389   0.00899  -0.59802
   D39       -2.13720  -0.00001  -0.00418  -0.00121  -0.00543  -2.14263
   D40        0.02835  -0.00006  -0.00569  -0.00108  -0.00682   0.02153
   D41       -2.37871   0.00002  -0.00252  -0.00963  -0.01210  -2.39082
   D42       -0.21316  -0.00003  -0.00403  -0.00951  -0.01350  -0.22666
   D43        1.25992   0.00006   0.00148   0.00797   0.00945   1.26938
   D44       -1.94620   0.00004   0.00842   0.00830   0.01673  -1.92947
   D45        2.45330  -0.00006   0.00175   0.00676   0.00852   2.46182
   D46       -0.75283  -0.00008   0.00869   0.00709   0.01580  -0.73702
   D47        2.93711   0.00002   0.00242   0.00749   0.00991   2.94702
   D48       -0.26901   0.00000   0.00936   0.00782   0.01719  -0.25182
   D49        2.86421   0.00013  -0.00052   0.01974   0.01925   2.88346
   D50       -0.34192   0.00011   0.00642   0.02007   0.02653  -0.31539
   D51        2.04858   0.00009  -0.00053   0.01232   0.01182   2.06040
   D52       -1.15755   0.00007   0.00641   0.01265   0.01910  -1.13845
   D53        1.15144   0.00003   0.00120   0.00147   0.00260   1.15404
   D54       -2.05469   0.00001   0.00814   0.00180   0.00988  -2.04480
   D55        1.00932   0.00002   0.00085   0.00183   0.00263   1.01195
   D56       -2.19681   0.00000   0.00779   0.00216   0.00991  -2.18689
   D57        2.01515   0.00008   0.00106   0.00841   0.00948   2.02463
   D58       -1.19097   0.00006   0.00800   0.00874   0.01676  -1.17422
   D59        1.82011   0.00006   0.00160   0.00619   0.00779   1.82791
   D60       -1.38601   0.00004   0.00854   0.00652   0.01507  -1.37094
   D61       -2.28290   0.00003   0.00151   0.01425   0.01577  -2.26713
   D62        0.79416   0.00001   0.00845   0.01458   0.02305   0.81721
   D63       -2.41922   0.00003   0.00076   0.01211   0.01287  -2.40635
   D64        0.65785   0.00001   0.00770   0.01244   0.02015   0.67799
   D65       -2.82073   0.00004   0.00005   0.01164   0.01168  -2.80905
   D66        0.25633   0.00002   0.00699   0.01197   0.01896   0.27529
   D67       -3.00040   0.00004   0.00018   0.01212   0.01226  -2.98814
   D68        0.07666   0.00002   0.00712   0.01245   0.01954   0.09620
   D69       -2.14427   0.00004   0.00018   0.01023   0.01041  -2.13386
   D70        0.93279   0.00002   0.00712   0.01057   0.01769   0.95048
   D71       -0.17196   0.00003   0.00092   0.01384   0.01472  -0.15724
   D72        2.90510   0.00001   0.00786   0.01417   0.02200   2.92710
   D73       -0.56927   0.00005   0.00070   0.01485   0.01551  -0.55376
   D74        2.50779   0.00003   0.00764   0.01519   0.02279   2.53058
   D75       -0.73652   0.00011   0.00045   0.02629   0.02674  -0.70978
   D76        2.34054   0.00009   0.00739   0.02662   0.03402   2.37456
   D77       -1.07620   0.00003   0.00085   0.02610   0.02702  -1.04918
   D78        2.00086   0.00001   0.00779   0.02644   0.03430   2.03516
   D79       -0.85291  -0.00001   0.00083   0.00529   0.00614  -0.84678
   D80        2.22415  -0.00003   0.00777   0.00562   0.01342   2.23757
   D81       -1.15485   0.00002   0.00165   0.00402   0.00572  -1.14913
   D82        1.92221   0.00000   0.00859   0.00435   0.01300   1.93521
   D83       -1.53239   0.00003   0.00007  -0.00227  -0.00223  -1.53461
   D84       -2.60825  -0.00010  -0.00068  -0.00225  -0.00295  -2.61121
   D85       -2.94648   0.00019  -0.00035  -0.00524  -0.00558  -2.95206
   D86        0.73910  -0.00001  -0.00190   0.00370   0.00177   0.74087
   D87        0.31509   0.00000  -0.00208   0.00255   0.00044   0.31553
   D88       -0.05716   0.00000  -0.00230   0.00263   0.00031  -0.05685
   D89       -0.39735   0.00005  -0.00208   0.00082  -0.00128  -0.39864
   D90        0.18233   0.00002  -0.00141   0.00074  -0.00070   0.18163
   D91       -0.05581   0.00002  -0.00115   0.00010  -0.00107  -0.05688
   D92        2.40558   0.00001  -0.00132   0.00595   0.00462   2.41020
   D93        2.05598   0.00002  -0.00147   0.00515   0.00366   2.05964
   D94        1.66313   0.00003  -0.00178   0.00554   0.00374   1.66687
   D95        1.37497   0.00000  -0.00212   0.00518   0.00301   1.37798
   D96        2.05706   0.00002  -0.00184   0.00292   0.00107   2.05813
   D97       -1.90744   0.00002  -0.00301   0.01754   0.01461  -1.89283
   D98       -2.44520   0.00005  -0.00246   0.01045   0.00797  -2.43722
   D99       -2.65692   0.00007  -0.00194   0.01719   0.01529  -2.64163
   D100      -2.98618  -0.00002  -0.00100   0.01562   0.01465  -2.97153
   D101      -2.91449  -0.00001  -0.00126  -0.00658  -0.00777  -2.92227
   D102       2.84022   0.00004   0.00061  -0.00318  -0.00252   2.83770
   D103      -2.91630   0.00003   0.00175  -0.00719  -0.00543  -2.92174
   D104       1.18046   0.00003   0.00234  -0.00663  -0.00429   1.17617
   D105       2.79564   0.00004   0.00200  -0.00984  -0.00786   2.78778
   D106       0.60922   0.00004   0.00258  -0.00928  -0.00672   0.60250
   D107       2.29668  -0.00012   0.00243  -0.01569  -0.01329   2.28339
   D108       0.11026  -0.00012   0.00301  -0.01513  -0.01214   0.09811
   D109       1.73969   0.00019   0.00216  -0.01156  -0.00935   1.73034
   D110      -0.44674   0.00019   0.00274  -0.01100  -0.00820  -0.45494
   D111       2.57908   0.00002   0.00082  -0.00673  -0.00593   2.57315
   D112       0.39265   0.00002   0.00140  -0.00616  -0.00478   0.38787
   D113       2.24414  -0.00004   0.00037  -0.00683  -0.00649   2.23765
   D114       0.05771  -0.00004   0.00095  -0.00627  -0.00534   0.05237
   D115      -1.61077  -0.00004  -0.00017  -0.00008  -0.00025  -1.61102
   D116       2.48599  -0.00004   0.00042   0.00048   0.00090   2.48688
   D117      -1.77349   0.00000   0.00071   0.00075   0.00146  -1.77203
   D118       2.32327   0.00001   0.00130   0.00131   0.00260   2.32588
   D119      -2.73382  -0.00004  -0.00051   0.00001  -0.00050  -2.73432
   D120       1.36294  -0.00004   0.00007   0.00057   0.00065   1.36359
   D121      -2.69890  -0.00003  -0.00060   0.00074   0.00016  -2.69873
   D122       1.39786  -0.00003  -0.00002   0.00131   0.00131   1.39917
   D123       1.32092  -0.00003   0.00050  -0.00957  -0.00907   1.31185
   D124      -0.86551  -0.00003   0.00108  -0.00901  -0.00792  -0.87343
   D125       1.29094  -0.00001   0.00138  -0.00644  -0.00506   1.28588
   D126      -0.89548   0.00000   0.00196  -0.00587  -0.00391  -0.89940
   D127       1.64568  -0.00001   0.00228  -0.00517  -0.00291   1.64277
   D128      -0.54075  -0.00001   0.00286  -0.00461  -0.00176  -0.54251
   D129       1.77495  -0.00001   0.00187  -0.00441  -0.00254   1.77240
   D130      -0.41148   0.00000   0.00245  -0.00385  -0.00140  -0.41288
   D131       0.89058   0.00000   0.00191  -0.00474  -0.00282   0.88776
   D132      -1.29584   0.00001   0.00249  -0.00418  -0.00168  -1.29752
   D133      -0.95609  -0.00002   0.00081  -0.00825  -0.00743  -0.96351
   D134       3.14067  -0.00002   0.00139  -0.00769  -0.00628   3.13439
   D135      -0.52877  -0.00003   0.00133  -0.01261  -0.01121  -0.53998
   D136      -2.71519  -0.00003   0.00191  -0.01204  -0.01007  -2.72526
   D137      -0.23368  -0.00012   0.00128  -0.02751  -0.02619  -0.25987
   D138      -2.42010  -0.00011   0.00186  -0.02695  -0.02504  -2.44515
   D139       0.17296  -0.00003   0.00151  -0.02441  -0.02299   0.14997
   D140      -2.01346  -0.00002   0.00209  -0.02384  -0.02184  -2.03530
   D141      -0.31076   0.00002   0.00170  -0.00383  -0.00213  -0.31289
   D142      -2.49719   0.00002   0.00228  -0.00326  -0.00099  -2.49817
   D143      -0.06126   0.00000   0.00089  -0.00116  -0.00028  -0.06154
   D144      -2.24769   0.00000   0.00147  -0.00059   0.00087  -2.24682
   D145      -2.47985   0.00000  -0.00060   0.00021  -0.00037  -2.48023
   D146      -2.73098  -0.00002   0.00014  -0.00011   0.00005  -2.73093
   D147      -2.40532   0.00002  -0.00043   0.00487   0.00451  -2.40081
   D148       2.99491   0.00002   0.00034  -0.00264  -0.00233   2.99259
   D149       2.60938  -0.00001   0.00114  -0.00513  -0.00405   2.60532
   D150       1.51904  -0.00002  -0.00113  -0.00024  -0.00136   1.51768
   D151       2.61987  -0.00002  -0.00102   0.00032  -0.00068   2.61919
   D152       2.99312  -0.00001  -0.00119   0.00071  -0.00049   2.99262
   D153       1.17583   0.00001  -0.00034  -0.01601  -0.01634   1.15949
   D154       1.24056   0.00002   0.00045  -0.00795  -0.00751   1.23305
   D155       1.63189   0.00002   0.00139  -0.00484  -0.00347   1.62842
   D156       1.71314   0.00001   0.00060  -0.00288  -0.00228   1.71086
   D157       0.89233   0.00001   0.00064  -0.00400  -0.00336   0.88897
   D158      -0.99383  -0.00001  -0.00079   0.00194   0.00110  -0.99274
   D159      -0.66949   0.00000  -0.00085  -0.00139  -0.00224  -0.67173
   D160      -0.70954  -0.00001  -0.00079  -0.01056  -0.01135  -0.72089
   D161      -0.39659   0.00004  -0.00179  -0.01494  -0.01667  -0.41326
   D162      -0.29095   0.00002  -0.00083   0.00270   0.00182  -0.28913
   D163      -0.01166   0.00000  -0.00103   0.00135   0.00027  -0.01139
   D164      -1.29774   0.00000   0.00383   0.00056   0.00439  -1.29334
   D165       1.65653   0.00001   0.00171  -0.00474  -0.00302   1.65351
   D166      -1.66856   0.00000   0.00400   0.00081   0.00482  -1.66374
   D167       1.28571   0.00000   0.00189  -0.00449  -0.00260   1.28311
   D168      -1.74525  -0.00006   0.00397   0.00047   0.00444  -1.74081
   D169       1.20902  -0.00005   0.00185  -0.00483  -0.00298   1.20604
   D170      -2.00450   0.00018   0.00491  -0.00495  -0.00001  -2.00451
   D171       0.94977   0.00019   0.00280  -0.01025  -0.00743   0.94234
   D172      -2.01855   0.00000   0.00377   0.00160   0.00536  -2.01319
   D173       0.93572   0.00001   0.00165  -0.00369  -0.00206   0.93366
   D174      -2.32094  -0.00003   0.00421   0.00171   0.00591  -2.31503
   D175       0.63333  -0.00002   0.00210  -0.00358  -0.00151   0.63182
   D176       1.97474  -0.00004   0.00229   0.00499   0.00728   1.98202
   D177      -1.35418  -0.00004   0.00018  -0.00031  -0.00014  -1.35432
   D178       0.82799  -0.00004   0.00271   0.00549   0.00820   0.83620
   D179      -2.50092  -0.00003   0.00059   0.00019   0.00079  -2.50014
   D180       0.36273   0.00004   0.00360   0.00611   0.00971   0.37244
   D181      -2.96619   0.00004   0.00148   0.00081   0.00230  -2.96389
   D182      -3.11822  -0.00003   0.00387  -0.00192   0.00195  -3.11627
   D183      -0.16395  -0.00003   0.00176  -0.00721  -0.00547  -0.16942
   D184       2.89995   0.00000   0.00449   0.00066   0.00515   2.90510
   D185      -0.42897   0.00001   0.00237  -0.00463  -0.00226  -0.43123
   D186       3.05431   0.00000   0.00528   0.00394   0.00922   3.06352
   D187      -0.27461   0.00000   0.00316  -0.00136   0.00180  -0.27281
   D188       2.96628  -0.00002   0.00433   0.00564   0.00997   2.97625
   D189      -0.36263  -0.00001   0.00222   0.00035   0.00255  -0.36008
   D190       2.45359   0.00001   0.00467   0.00024   0.00493   2.45851
   D191      -0.87533   0.00001   0.00255  -0.00506  -0.00249  -0.87782
   D192       0.32766  -0.00003   0.00233   0.01519   0.01738   0.34505
   D193      -3.00126  -0.00003   0.00022   0.00989   0.00997  -2.99129
   D194       0.63404  -0.00001   0.00254   0.00626   0.00879   0.64283
   D195      -2.69488   0.00000   0.00043   0.00096   0.00137  -2.69351
   D196       0.43082   0.00004   0.00218  -0.00427  -0.00184   0.42898
   D197      -2.89810   0.00005   0.00007  -0.00957  -0.00925  -2.90735
   D198       1.09644   0.00002   0.00347   0.00628   0.00969   1.10613
   D199      -2.23248   0.00003   0.00135   0.00099   0.00228  -2.23020
   D200       1.42641   0.00000   0.00337   0.00509   0.00842   1.43483
   D201      -1.90251   0.00000   0.00126  -0.00021   0.00101  -1.90150
   D202       1.61031   0.00003   0.00512   0.00100   0.00613   1.61645
   D203      -0.60180   0.00000   0.00320   0.00140   0.00460  -0.59720
   D204       1.68113   0.00004   0.00477   0.00356   0.00833   1.68946
   D205      -0.53098   0.00001   0.00285   0.00395   0.00680  -0.52418
   D206       1.35891  -0.00002   0.00505   0.00515   0.01022   1.36913
   D207      -0.85320  -0.00005   0.00313   0.00555   0.00869  -0.84451
   D208       1.19301   0.00007   0.00530   0.01031   0.01564   1.20865
   D209      -1.01910   0.00004   0.00338   0.01070   0.01410  -1.00499
   D210       2.11209   0.00002   0.00438   0.00441   0.00880   2.12089
   D211      -0.10002  -0.00001   0.00246   0.00481   0.00727  -0.09276
   D212       2.23108   0.00000   0.00305   0.00565   0.00871   2.23980
   D213       0.01897  -0.00003   0.00113   0.00604   0.00718   0.02616
   D214      -2.23261   0.00003   0.00503   0.00745   0.01247  -2.22015
   D215       1.83846   0.00000   0.00311   0.00784   0.01094   1.84940
   D216      -2.39641   0.00002   0.00467   0.01145   0.01612  -2.38030
   D217       1.67466  -0.00001   0.00274   0.01184   0.01459   1.68924
   D218      -2.00413   0.00001   0.00453   0.01779   0.02229  -1.98184
   D219       2.06694  -0.00002   0.00261   0.01818   0.02076   2.08770
   D220      -2.11085   0.00009   0.00581   0.03451   0.04034  -2.07051
   D221       1.96022   0.00006   0.00389   0.03491   0.03881   1.99903
   D222      -2.89033   0.00003   0.00431   0.00894   0.01325  -2.87708
   D223       1.18074   0.00000   0.00239   0.00933   0.01172   1.19246
   D224       3.05660   0.00004   0.00405   0.00770   0.01180   3.06839
   D225       0.84449   0.00001   0.00213   0.00809   0.01026   0.85475
   D226      -2.71678  -0.00002   0.00205  -0.00025   0.00179  -2.71499
   D227       1.35429  -0.00005   0.00013   0.00015   0.00026   1.35455
   D228      -2.66689   0.00001   0.00364   0.00090   0.00452  -2.66236
   D229       1.40419  -0.00002   0.00172   0.00130   0.00299   1.40718
   D230      -1.57131   0.00001   0.00310  -0.00081   0.00228  -1.56902
   D231       2.49977  -0.00002   0.00118  -0.00042   0.00075   2.50052
   D232      -0.07684   0.00004   0.00649  -0.01450  -0.00805  -0.08490
   D233      -2.28896   0.00001   0.00456  -0.01410  -0.00959  -2.29854
   D234      -0.20833   0.00001   0.00630  -0.00502   0.00126  -0.20706
   D235      -2.42044  -0.00002   0.00438  -0.00463  -0.00027  -2.42071
   D236       0.07459  -0.00003   0.00550   0.00265   0.00812   0.08271
   D237      -2.13752  -0.00006   0.00358   0.00304   0.00659  -2.13093
   D238      -0.03269  -0.00003   0.00681   0.00576   0.01255  -0.02014
   D239      -2.24480  -0.00006   0.00488   0.00616   0.01102  -2.23378
   D240      -0.59896   0.00002   0.00651  -0.00268   0.00388  -0.59508
   D241      -2.81107  -0.00001   0.00458  -0.00229   0.00235  -2.80872
   D242      -0.79041   0.00004   0.00583   0.00131   0.00716  -0.78325
   D243      -3.00252   0.00001   0.00390   0.00171   0.00562  -2.99690
   D244      -2.93546   0.00002   0.00353  -0.00534  -0.00179  -2.93725
   D245      -0.01057   0.00002   0.00130  -0.00294  -0.00163  -0.01220
   D246      -3.12527   0.00003   0.00297  -0.00268   0.00029  -3.12498
   D247      -0.20038   0.00004   0.00073  -0.00029   0.00045  -0.19993
   D248       2.77305  -0.00006   0.00307  -0.00224   0.00083   2.77388
   D249      -0.58524  -0.00006   0.00083   0.00016   0.00099  -0.58425
   D250       2.53580   0.00009   0.00316  -0.00024   0.00291   2.53871
   D251      -0.82249   0.00009   0.00093   0.00215   0.00307  -0.81942
   D252      -2.89710   0.00002   0.00219   0.00012   0.00231  -2.89479
   D253       0.02779   0.00002  -0.00004   0.00251   0.00247   0.03027
   D254      -3.06907  -0.00003   0.00072   0.00110   0.00181  -3.06727
   D255      -0.14418  -0.00003  -0.00152   0.00349   0.00197  -0.14221
   D256      -0.65513   0.00000   0.00332   0.00263   0.00593  -0.64920
   D257       2.26977   0.00000   0.00109   0.00502   0.00609   2.27586
   D258      -0.90039  -0.00001   0.00257   0.00449   0.00703  -0.89335
   D259       2.02451  -0.00001   0.00033   0.00688   0.00719   2.03170
   D260      -0.73456  -0.00003   0.00161   0.00603   0.00764  -0.72692
   D261       2.19034  -0.00002  -0.00062   0.00843   0.00780   2.19814
   D262      -0.93734   0.00002   0.00161   0.00761   0.00922  -0.92812
   D263       1.98756   0.00003  -0.00063   0.01000   0.00938   1.99694
   D264      -1.30830   0.00000   0.00248   0.00428   0.00674  -1.30156
   D265       1.61660   0.00000   0.00024   0.00668   0.00690   1.62350
   D266      -1.54708   0.00000   0.00193   0.00468   0.00663  -1.54045
   D267       1.37782   0.00000  -0.00030   0.00707   0.00679   1.38461
   D268       1.97754  -0.00004   0.00061  -0.00418  -0.00355   1.97399
   D269      -1.38075  -0.00004  -0.00163  -0.00178  -0.00339  -1.38414
   D270       0.85509   0.00000   0.00184  -0.00394  -0.00209   0.85300
   D271      -2.50320   0.00001  -0.00040  -0.00155  -0.00193  -2.50513
   D272       0.95566   0.00008   0.00833  -0.03565  -0.02743   0.92823
   D273      -2.40263   0.00008   0.00609  -0.03326  -0.02726  -2.42990
   D274       1.12725  -0.00001   0.00622  -0.01346  -0.00726   1.11999
   D275      -2.23103   0.00000   0.00398  -0.01106  -0.00710  -2.23813
   D276       1.58726  -0.00007   0.00461  -0.00451   0.00012   1.58738
   D277      -1.77103  -0.00006   0.00237  -0.00211   0.00029  -1.77075
   D278       1.56863  -0.00005   0.00502  -0.00194   0.00314   1.57177
   D279      -1.78966  -0.00004   0.00279   0.00045   0.00330  -1.78636
   D280       0.81622   0.00003   0.00547  -0.00412   0.00138   0.81760
   D281      -2.54207   0.00003   0.00323  -0.00173   0.00154  -2.54052
   D282       0.78529   0.00002   0.00392   0.00118   0.00511   0.79040
   D283      -2.57300   0.00002   0.00168   0.00358   0.00527  -2.56773
   D284       1.58445   0.00002   0.00269   0.00203   0.00471   1.58916
   D285      -2.63097   0.00001   0.00156   0.00263   0.00418  -2.62679
   D286       1.64439   0.00003   0.00146   0.00402   0.00547   1.64986
   D287      -2.57103   0.00003   0.00033   0.00461   0.00494  -2.56609
   D288       1.33239  -0.00003   0.00136   0.00549   0.00685   1.33924
   D289      -2.88303  -0.00003   0.00023   0.00608   0.00632  -2.87671
   D290       1.24291  -0.00001   0.00105   0.00934   0.01037   1.25328
   D291      -2.97251  -0.00001  -0.00007   0.00994   0.00984  -2.96268
   D292       2.03946   0.00001   0.00071   0.00466   0.00536   2.04482
   D293      -2.17596   0.00001  -0.00041   0.00526   0.00483  -2.17113
   D294       2.02264  -0.00002  -0.00053   0.00489   0.00435   2.02699
   D295      -2.19278  -0.00002  -0.00166   0.00549   0.00382  -2.18896
   D296      -2.29892   0.00001   0.00187   0.00837   0.01024  -2.28868
   D297      -0.23116   0.00001   0.00074   0.00896   0.00971  -0.22145
   D298      -2.27133  -0.00001   0.00114   0.01038   0.01151  -2.25982
   D299      -0.20357  -0.00001   0.00001   0.01098   0.01098  -0.19259
   D300      -1.88211  -0.00002   0.00069   0.01068   0.01136  -1.87075
   D301       0.18565  -0.00002  -0.00043   0.01128   0.01083   0.19648
   D302      -1.81926  -0.00001   0.00079   0.01263   0.01339  -1.80586
   D303       0.24851  -0.00001  -0.00034   0.01322   0.01286   0.26137
   D304      -2.61531  -0.00001   0.00037   0.01119   0.01155  -2.60376
   D305      -0.54754  -0.00001  -0.00076   0.01179   0.01101  -0.53653
   D306      -2.73950  -0.00002  -0.00043   0.01325   0.01284  -2.72666
   D307      -0.67174  -0.00002  -0.00156   0.01385   0.01231  -0.65943
   D308       1.52405  -0.00001  -0.00036  -0.00048  -0.00085   1.52320
   D309      -2.69137  -0.00001  -0.00149   0.00011  -0.00138  -2.69275
   D310       2.62368  -0.00001  -0.00012   0.00026   0.00013   2.62381
   D311      -1.59174  -0.00001  -0.00125   0.00086  -0.00041  -1.59215
   D312       3.00331   0.00003   0.00103   0.00114   0.00218   3.00549
   D313      -1.21211   0.00003  -0.00010   0.00173   0.00164  -1.21046
   D314      -0.46605   0.00003   0.00303  -0.01601  -0.01296  -0.47901
   D315       1.60172   0.00003   0.00190  -0.01541  -0.01349   1.58822
   D316      -0.30736  -0.00001   0.00307  -0.00759  -0.00452  -0.31188
   D317       1.76041  -0.00002   0.00194  -0.00699  -0.00505   1.75536
   D318       0.12073  -0.00009   0.00219  -0.00583  -0.00367   0.11706
   D319       2.18850  -0.00009   0.00107  -0.00523  -0.00420   2.18430
   D320       0.25111  -0.00005   0.00287  -0.00361  -0.00072   0.25040
   D321       2.31888  -0.00005   0.00175  -0.00301  -0.00125   2.31763
   D322      -0.55616   0.00002   0.00345  -0.00003   0.00347  -0.55269
   D323       1.51161   0.00002   0.00232   0.00057   0.00294   1.51455
   D324      -0.60291   0.00001   0.00248   0.00620   0.00872  -0.59420
   D325       1.46485   0.00001   0.00135   0.00680   0.00819   1.47304
   D326       0.09614  -0.00002   0.00150   0.01482   0.01626   0.11240
   D327       2.26900  -0.00002   0.00077   0.01501   0.01572   2.28472
   D328       0.40277  -0.00003   0.00205   0.01101   0.01300   0.41578
   D329       2.57564  -0.00002   0.00132   0.01120   0.01246   2.58809
   D330       0.76882   0.00007   0.00175   0.01369   0.01542   0.78425
   D331       2.94169   0.00007   0.00103   0.01388   0.01488   2.95656
   D332       1.04899  -0.00014   0.00121   0.01456   0.01581   1.06480
   D333      -3.06133  -0.00013   0.00048   0.01475   0.01526  -3.04607
   D334       0.34208  -0.00002   0.00345   0.00192   0.00525   0.34733
   D335       2.51494  -0.00001   0.00272   0.00211   0.00471   2.51965
   D336       0.73405   0.00005   0.00356   0.00615   0.00962   0.74367
   D337       2.90692   0.00006   0.00283   0.00634   0.00907   2.91599
   D338      -2.32053   0.00002   0.00243   0.01021   0.01263  -2.30791
   D339      -0.14767   0.00002   0.00171   0.01040   0.01208  -0.13559
   D340      -1.94403   0.00002   0.00276   0.00708   0.00993  -1.93410
   D341       0.22883   0.00002   0.00203   0.00727   0.00939   0.23821
   D342      -1.89847   0.00002   0.00278   0.00779   0.01063  -1.88785
   D343       0.27439   0.00003   0.00205   0.00797   0.01008   0.28447
   D344      -1.59963  -0.00005   0.00199   0.01014   0.01228  -1.58734
   D345       0.57324  -0.00004   0.00126   0.01033   0.01174   0.58497
   D346      -1.57361   0.00001   0.00294   0.00363   0.00678  -1.56683
   D347       0.59926   0.00002   0.00221   0.00382   0.00623   0.60549
   D348      -1.27320   0.00001   0.00317   0.00212   0.00549  -1.26771
   D349       0.89967   0.00002   0.00244   0.00231   0.00494   0.90461
   D350       1.86182   0.00001   0.00122   0.02013   0.02138   1.88320
   D351      -2.24851   0.00002   0.00050   0.02032   0.02084  -2.22767
   D352       2.29628  -0.00003   0.00003   0.02459   0.02466   2.32094
   D353      -1.81404  -0.00003  -0.00070   0.02478   0.02411  -1.78993
   D354       2.54794  -0.00007  -0.00321   0.04045   0.03736   2.58530
   D355      -1.56238  -0.00007  -0.00394   0.04064   0.03682  -1.52556
   D356      -3.10581   0.00001   0.00015   0.03628   0.03610  -3.06971
   D357      -0.93294   0.00001  -0.00058   0.03647   0.03555  -0.89739
   D358       2.61782  -0.00002   0.00138   0.01839   0.01978   2.63760
   D359      -1.49250  -0.00001   0.00065   0.01858   0.01924  -1.47326
   D360       1.63587   0.00008   0.00267  -0.00623  -0.00363   1.63224
   D361      -2.47445   0.00008   0.00194  -0.00604  -0.00417  -2.47863
   D362       1.81562   0.00008   0.00091  -0.00133  -0.00052   1.81510
   D363      -2.29470   0.00009   0.00019  -0.00114  -0.00106  -2.29577
   D364       2.75079  -0.00001   0.00074  -0.00550  -0.00474   2.74605
   D365      -1.35953   0.00000   0.00001  -0.00531  -0.00529  -1.36482
   D366       2.75256   0.00000   0.00206  -0.00391  -0.00182   2.75074
   D367      -1.35776   0.00000   0.00133  -0.00372  -0.00237  -1.36013
   D368       0.05098   0.00003   0.00421   0.01630   0.02060   0.07158
   D369      -2.49836  -0.00001  -0.00968   0.03868   0.02908  -2.46927
   D370       0.45050   0.00004   0.00425   0.01576   0.02004   0.47054
   D371      -2.09884   0.00000  -0.00965   0.03815   0.02853  -2.07031
   D372       0.66107   0.00013   0.00404   0.02155   0.02559   0.68666
   D373      -1.88827   0.00009  -0.00985   0.04393   0.03408  -1.85419
   D374       0.93253  -0.00009   0.00352   0.02434   0.02773   0.96026
   D375      -1.61681  -0.00013  -0.01038   0.04673   0.03622  -1.58059
   D376       0.69380   0.00002   0.00488   0.00838   0.01326   0.70706
   D377      -1.85554  -0.00002  -0.00901   0.03076   0.02174  -1.83380
   D378       1.03315   0.00007   0.00442   0.00993   0.01433   1.04749
   D379      -1.51619   0.00004  -0.00948   0.03231   0.02282  -1.49337
   D380      -2.76753   0.00014   0.00476   0.02811   0.03281  -2.73472
   D381       0.96632   0.00010  -0.00914   0.05050   0.04129   1.00762
   D382      -2.21431   0.00010   0.00532   0.02397   0.02906  -2.18526
   D383       1.51953   0.00006  -0.00858   0.04636   0.03754   1.55708
   D384      -1.97870   0.00008   0.00552   0.01358   0.01904  -1.95966
   D385       1.75515   0.00004  -0.00838   0.03597   0.02752   1.78267
   D386      -1.64817   0.00001   0.00511   0.00969   0.01481  -1.63336
   D387       2.08568  -0.00003  -0.00878   0.03207   0.02329   2.10897
   D388      -1.69842   0.00001   0.00612   0.01773   0.02360  -1.67483
   D389       2.03542  -0.00003  -0.00778   0.04011   0.03208   2.06750
   D390      -1.12389  -0.00005   0.00751  -0.00416   0.00375  -1.12014
   D391       2.60996  -0.00009  -0.00639   0.01822   0.01223   2.62219
   D392       1.78309   0.00007   0.00479   0.01319   0.01799   1.80108
   D393      -0.76624   0.00003  -0.00910   0.03557   0.02647  -0.73977
   D394       2.08354   0.00005   0.00396   0.01249   0.01649   2.10003
   D395      -0.46580   0.00001  -0.00993   0.03487   0.02497  -0.44082
   D396       2.03157   0.00008   0.00243   0.01293   0.01538   2.04695
   D397      -0.51776   0.00004  -0.01147   0.03531   0.02386  -0.49390
   D398       2.22810   0.00014   0.00298   0.01632   0.01940   2.24751
   D399      -0.32123   0.00010  -0.01092   0.03871   0.02789  -0.29334
   D400       2.48362   0.00003   0.00417   0.01198   0.01623   2.49985
   D401      -0.06572  -0.00001  -0.00972   0.03437   0.02472  -0.04100
   D402      -1.55476   0.00013   0.00586  -0.00814  -0.00223  -1.55699
   D403       2.17909   0.00009  -0.00804   0.01425   0.00626   2.18535
   D404      -2.64864  -0.00006   0.00426  -0.00854  -0.00428  -2.65291
   D405       1.08521  -0.00010  -0.00964   0.01385   0.00421   1.08942
   D406      -2.99660  -0.00002   0.00516  -0.00679  -0.00160  -2.99820
   D407       0.73725  -0.00006  -0.00873   0.01560   0.00689   0.74414
   D408       1.91588   0.00002  -0.00045   0.02857   0.02816   1.94404
   D409       2.41341   0.00003  -0.00075   0.02989   0.02913   2.44254
   D410       2.63907   0.00009  -0.00126   0.02954   0.02830   2.66737
   D411       2.87012  -0.00011  -0.00193   0.03164   0.02973   2.89986
   D412       2.84582   0.00004  -0.00117   0.03269   0.03145   2.87726
   D413      -2.94810   0.00005  -0.00388   0.03186   0.02788  -2.92022
   D414      -0.75952   0.00004  -0.00046   0.02455   0.02413  -0.73539
   D415      -0.37881   0.00003  -0.00042   0.02441   0.02404  -0.35477
   D416      -0.06912   0.00004  -0.00044   0.02453   0.02413  -0.04499
   D417       0.23982  -0.00001  -0.00070   0.02436   0.02371   0.26353
   D418      -0.24337   0.00001  -0.00090   0.02381   0.02299  -0.22039
   D419       0.06719   0.00001  -0.00040   0.02151   0.02118   0.08837
   D420      -2.56758   0.00004  -0.00126   0.02279   0.02150  -2.54608
   D421      -2.18525   0.00002  -0.00145   0.02255   0.02109  -2.16416
   D422      -1.94270   0.00001  -0.00270   0.02285   0.02014  -1.92256
   D423      -1.63093   0.00003  -0.00190   0.02250   0.02063  -1.61030
   D424      -1.96948   0.00002  -0.00021   0.02270   0.02250  -1.94698
   D425       1.30382   0.00004  -0.00096  -0.00070  -0.00166   1.30216
   D426       2.46890  -0.00010  -0.00088  -0.00166  -0.00261   2.46629
   D427       2.94624   0.00005  -0.00143   0.00169   0.00017   2.94641
   D428      -3.05891  -0.00008  -0.00486  -0.01339  -0.01825  -3.07716
   D429       0.03138  -0.00009  -0.00265  -0.00838  -0.01105   0.02033
   D430       0.05691  -0.00005  -0.00709  -0.01255  -0.01963   0.03728
   D431      -3.13598  -0.00006  -0.00488  -0.00754  -0.01243   3.13477
   D432      -0.09174  -0.00013  -0.00137   0.01805   0.01669  -0.07505
   D433       2.00521  -0.00005   0.00123   0.01479   0.01602   2.02122
   D434      -2.19038  -0.00009  -0.00058   0.01866   0.01805  -2.17233
   D435       3.09859  -0.00013  -0.00351   0.01334   0.00985   3.10844
   D436      -1.08765  -0.00004  -0.00091   0.01008   0.00918  -1.07848
   D437       0.99995  -0.00008  -0.00272   0.01396   0.01120   1.01115
   D438      -2.36163  -0.00009  -0.00044  -0.01051  -0.01095  -2.37257
   D439      -0.27098  -0.00011  -0.00055  -0.01147  -0.01201  -0.28300
   D440       1.83564  -0.00006   0.00008  -0.01102  -0.01095   1.82470
   D441       0.73112  -0.00009   0.00174  -0.00578  -0.00405   0.72707
   D442       2.82176  -0.00012   0.00162  -0.00674  -0.00512   2.81665
   D443      -1.35480  -0.00006   0.00225  -0.00629  -0.00405  -1.35885
   D444      -0.00357   0.00005   0.00305   0.00166   0.00472   0.00115
   D445       3.11586   0.00001   0.00049  -0.00008   0.00042   3.11628
   D446      -3.12424   0.00008   0.00361   0.00181   0.00542  -3.11882
   D447      -0.00481   0.00004   0.00105   0.00007   0.00112  -0.00369
   D448       2.42952  -0.00002  -0.00263  -0.00173  -0.00437   2.42515
   D449      -1.76935  -0.00003  -0.00252  -0.00242  -0.00494  -1.77429
   D450       0.33902  -0.00005  -0.00279  -0.00219  -0.00497   0.33405
   D451      -0.69098   0.00002  -0.00017  -0.00008  -0.00026  -0.69123
   D452       1.39334   0.00001  -0.00006  -0.00077  -0.00083   1.39251
   D453      -2.78148  -0.00001  -0.00033  -0.00053  -0.00086  -2.78234
   D454       2.06186  -0.00001   0.00236   0.00107   0.00344   2.06530
   D455      -2.13712  -0.00001   0.00269   0.00099   0.00367  -2.13345
   D456      -0.04334  -0.00001   0.00274   0.00096   0.00369  -0.03966
   D457      -1.10080  -0.00005  -0.00009  -0.00057  -0.00065  -1.10145
   D458       0.98340  -0.00005   0.00023  -0.00065  -0.00041   0.98298
   D459       3.07718  -0.00004   0.00029  -0.00068  -0.00040   3.07678
   D460      -3.09040   0.00006   0.00604  -0.00216   0.00387  -3.08653
   D461      -0.03553   0.00007   0.00425  -0.00194   0.00230  -0.03323
   D462       0.06675  -0.00003   0.00354  -0.00076   0.00278   0.06953
   D463       3.12162  -0.00001   0.00175  -0.00054   0.00121   3.12283
   D464       1.95022  -0.00006  -0.00628  -0.00154  -0.00782   1.94240
   D465      -2.25145   0.00000  -0.00489  -0.00277  -0.00767  -2.25912
   D466      -0.15757  -0.00003  -0.00532  -0.00094  -0.00625  -0.16382
   D467      -1.10823  -0.00006  -0.00449  -0.00182  -0.00631  -1.11454
   D468       0.97329  -0.00001  -0.00310  -0.00305  -0.00616   0.96713
   D469       3.06717  -0.00004  -0.00352  -0.00122  -0.00474   3.06243
   D470      -1.64960   0.00002   0.00315   0.00221   0.00536  -1.64424
   D471       0.45492   0.00003   0.00302   0.00119   0.00421   0.45913
   D472       2.54846   0.00002   0.00238   0.00148   0.00386   2.55231
   D473       1.40917   0.00003   0.00139   0.00256   0.00395   1.41311
   D474      -2.76950   0.00005   0.00125   0.00154   0.00280  -2.76670
   D475      -0.67597   0.00003   0.00061   0.00183   0.00245  -0.67352
   D476       0.01624   0.00001   0.00089  -0.00758  -0.00667   0.00957
   D477      -3.05797   0.00004   0.00706  -0.00289   0.00418  -3.05379
   D478       3.12667   0.00007   0.00218  -0.00830  -0.00610   3.12058
   D479       0.05247   0.00009   0.00835  -0.00361   0.00476   0.05722
   D480      -0.35189   0.00013   0.01347  -0.01871  -0.00527  -0.35717
   D481       1.75742   0.00001   0.01091  -0.02063  -0.00972   1.74770
   D482      -2.44173   0.00005   0.01249  -0.02066  -0.00821  -2.44994
   D483       2.72547   0.00012   0.00773  -0.02313  -0.01542   2.71005
   D484      -1.44841   0.00000   0.00517  -0.02504  -0.01987  -1.46828
   D485       0.63563   0.00004   0.00675  -0.02508  -0.01836   0.61728
   D486      -0.07495  -0.00018  -0.01372  -0.00321  -0.01696  -0.09192
   D487       2.01692  -0.00007  -0.01103  -0.00403  -0.01508   2.00184
   D488      -2.18024  -0.00004  -0.01261  -0.00266  -0.01528  -2.19552
   D489       3.13065  -0.00016  -0.00797   0.00129  -0.00666   3.12399
   D490      -1.06066  -0.00005  -0.00527   0.00048  -0.00478  -1.06544
   D491       1.02536  -0.00002  -0.00685   0.00185  -0.00498   1.02039
         Item               Value     Threshold  Converged?
 Maximum Force            0.001623     0.000450     NO 
 RMS     Force            0.000096     0.000300     YES
 Maximum Displacement     0.115351     0.001800     NO 
 RMS     Displacement     0.012333     0.001200     NO 
 Predicted change in Energy=-4.612781D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:31:40 2016, MaxMem=  2952790016 cpu:         7.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.828637   -0.590370    1.665007
      2          6           0       -2.048326    1.123679   -1.369623
      3          8           0       -2.598527    0.150910   -1.914850
      4          7           0       -0.757530    1.164515   -0.941221
      5          1           0       -2.595325    2.064147   -1.156577
      6          6           0       -0.218733    2.328138   -0.237701
      7          1           0       -0.977227    3.122570   -0.203739
      8          1           0        0.060452    2.046058    0.790672
      9          1           0        0.677144    2.702991   -0.759137
     10          6           0        0.148328    0.026399   -1.111696
     11          1           0        0.712749   -0.125451   -0.178826
     12          1           0       -0.437079   -0.874551   -1.337064
     13          1           0        0.861169    0.218678   -1.930550
     14          6           0       -2.008595   -4.001846    2.611980
     15          8           0       -2.117548   -3.851962    3.841018
     16          7           0       -2.958896   -3.688064    1.689750
     17          1           0       -1.083841   -4.399322    2.148242
     18          6           0       -4.252128   -3.119323    2.077216
     19          1           0       -4.521785   -2.326201    1.361571
     20          1           0       -5.038016   -3.892865    2.059954
     21          1           0       -4.177187   -2.694857    3.086594
     22          6           0       -2.727152   -3.871834    0.256825
     23          1           0       -3.449150   -4.594606   -0.157353
     24          1           0       -2.855970   -2.909809   -0.265408
     25          1           0       -1.704921   -4.239992    0.092670
     26          6           0        1.549228    0.387494    2.619235
     27          8           0        1.367872    1.399439    3.317482
     28          7           0        1.175690   -0.878662    2.950932
     29          1           0        2.035978    0.438384    1.625361
     30          6           0        1.491503   -2.022638    2.094542
     31          1           0        2.235282   -2.672724    2.585219
     32          1           0        0.580477   -2.615206    1.911713
     33          1           0        1.890588   -1.666173    1.135273
     34          6           0        0.534675   -1.169610    4.235984
     35          1           0        1.284245   -1.481667    4.983197
     36          1           0        0.016029   -0.270987    4.593269
     37          1           0       -0.188739   -1.986258    4.098937
     38          6           0       -4.620537    1.070036    2.923620
     39          8           0       -4.887566    1.638494    1.850922
     40          7           0       -3.539746    1.337676    3.705238
     41          1           0       -5.248771    0.250204    3.327009
     42          6           0       -2.562013    2.368658    3.342928
     43          1           0       -2.629704    2.578447    2.267175
     44          1           0       -2.758035    3.291631    3.913274
     45          1           0       -1.551806    2.004356    3.585165
     46          6           0       -3.240940    0.546751    4.900076
     47          1           0       -4.049277   -0.175377    5.078226
     48          1           0       -2.293032    0.001546    4.758974
     49          1           0       -3.139902    1.209286    5.774393
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.492164   0.000000
     3  O    3.735988   1.243493   0.000000
     4  N    3.319536   1.360643   2.316165   0.000000
     5  H    3.949127   1.108637   2.058025   2.057475   0.000000
     6  C    3.837940   2.465640   3.635461   1.462621   2.561682
     7  H    4.242999   2.549922   3.793057   2.103836   2.155551
     8  H    3.359148   3.156676   4.240473   2.108475   3.293214
     9  H    4.796003   3.208599   4.310315   2.111481   3.357847
    10  C    3.463939   2.468975   2.864572   1.464565   3.417903
    11  H    3.174037   3.256049   3.748960   2.099280   4.085791
    12  H    3.321087   2.567119   2.461152   2.101707   3.650554
    13  H    4.562636   3.098197   3.460396   2.119803   3.994013
    14  C    3.545040   6.490436   6.171353   6.393879   7.165371
    15  O    3.931472   7.205038   7.027399   7.062896   7.759160
    16  N    3.297545   5.774234   5.278327   5.942689   6.428195
    17  H    3.911055   6.618848   6.285507   6.372405   7.415041
    18  C    3.526872   5.894108   5.418986   6.298765   6.330148
    19  H    3.218420   5.047682   4.535409   5.626505   5.415484
    20  H    4.621966   6.772442   6.172705   7.273699   7.197138
    21  H    3.459113   6.242687   5.966993   6.543096   6.569239
    22  C    3.682161   5.297291   4.573312   5.538911   6.103356
    23  H    4.688386   6.010882   5.131499   6.405213   6.787228
    24  H    3.187744   4.259179   3.486393   4.632525   5.059877
    25  H    3.975838   5.570027   4.910060   5.583474   6.488112
    26  C    3.643727   5.421748   6.149616   4.312973   5.851943
    27  O    4.111896   5.806497   6.683446   4.765404   6.013814
    28  N    3.280655   5.750726   6.243442   4.802163   6.304943
    29  H    3.999395   5.110880   5.839039   3.862421   5.641919
    30  C    3.641322   5.867721   6.126001   4.942869   6.631271
    31  H    4.658157   6.957208   7.182565   6.009751   7.731348
    32  H    3.156684   5.626458   5.692104   4.920954   6.434008
    33  H    3.907763   5.438090   5.723391   4.397403   6.268275
    34  C    3.539872   6.584369   7.028051   5.824207   7.023802
    35  H    4.636252   7.632312   8.082344   6.802195   8.082121
    36  H    3.475560   6.462410   7.026345   5.769717   6.732960
    37  H    3.249890   6.560101   6.822038   5.971105   7.058177
    38  C    3.483642   5.005106   5.323919   5.465230   4.662375
    39  O    3.789385   4.324145   4.651198   5.007785   3.805338
    40  N    3.287522   5.293803   5.820627   5.418514   5.005690
    41  H    3.894371   5.750145   5.874584   6.262986   5.516675
    42  C    3.479814   4.901223   5.706485   4.802088   4.509920
    43  H    3.323510   3.959881   4.835623   3.974675   3.462335
    44  H    4.581312   5.754364   6.622432   5.665047   5.218868
    45  H    3.239791   5.056882   5.897547   4.671657   4.855576
    46  C    3.708546   6.408143   6.856573   6.377280   6.277129
    47  H    4.093107   6.875035   7.149423   6.990325   6.782492
    48  H    3.184126   6.235284   6.682482   6.016850   6.272116
    49  H    4.673888   7.227436   7.780598   7.125810   7.004691
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098904   0.000000
     8  H    1.102300   1.795693   0.000000
     9  H    1.102273   1.794842   1.792702   0.000000
    10  C    2.489298   3.417241   2.775923   2.751016   0.000000
    11  H    2.625114   3.661459   2.465941   2.887579   1.100852
    12  H    3.393153   4.189649   3.647568   3.791345   1.097817
    13  H    2.912344   3.846318   3.374243   2.752796   1.102558
    14  C    7.168890   7.729768   6.646447   7.970726   5.894475
    15  O    7.644284   8.142757   6.988199   8.481695   6.686198
    16  N    6.886091   7.341462   6.542550   7.750060   5.594656
    17  H    7.190261   7.881754   6.685456   7.873803   5.633155
    18  C    7.162538   7.408709   6.850891   8.138917   6.279231
    19  H    6.537339   6.686045   6.359204   7.537841   5.784612
    20  H    8.197901   8.416095   7.929455   9.171459   7.233129
    21  H    7.207689   7.410027   6.760556   8.215288   6.613694
    22  C    6.706443   7.224683   6.563320   7.473268   5.033632
    23  H    7.639793   8.103541   7.570633   8.404962   5.933491
    24  H    5.864459   6.318471   5.846489   6.650578   4.285245
    25  H    6.742272   7.404372   6.566443   7.389508   4.804906
    26  C    3.879931   4.672558   2.882868   4.187536   4.001594
    27  O    4.002389   4.568114   2.917572   4.335341   4.794803
    28  N    4.732374   5.531443   3.803217   5.180869   4.287138
    29  H    3.482225   4.430561   2.680302   3.558189   3.350288
    30  C    5.224320   6.152227   4.505804   5.580165   4.035175
    31  H    6.244973   7.189154   5.497016   6.520033   5.030688
    32  H    5.449345   6.310599   4.822295   5.951975   4.038047
    33  H    4.721103   5.740155   4.153167   4.914349   3.308948
    34  C    5.728501   6.357657   4.736621   6.322071   5.493394
    35  H    6.635611   7.295037   5.614247   7.131223   6.380618
    36  H    5.490795   5.959369   4.453135   6.158723   5.714242
    37  H    6.117299   6.725687   5.221713   6.807327   5.595990
    38  C    5.563511   5.221780   5.235814   6.655424   6.333642
    39  O    5.161003   4.659921   5.076723   6.237913   6.061038
    40  N    5.249468   5.003245   4.685929   6.291017   6.206786
    41  H    6.505863   6.242016   6.151906   7.604553   6.991485
    42  C    4.279428   3.957117   3.673609   5.237447   5.716275
    43  H    3.485662   3.021948   3.114553   4.484342   5.064305
    44  H    4.960541   4.488837   4.387022   5.829098   6.660256
    45  H    4.061554   3.992035   3.226500   4.932471   5.372455
    46  C    6.221240   6.148835   5.480356   7.213005   6.920932
    47  H    7.014252   6.943566   6.340959   8.043561   7.481693
    48  H    5.889186   6.008383   5.046418   6.824171   6.358115
    49  H    6.777192   6.638967   5.981632   7.712847   7.722040
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795764   0.000000
    13  H    1.791365   1.798005   0.000000
    14  C    5.497340   5.276797   6.832492   0.000000
    15  O    6.169004   6.204956   7.665106   1.242928   0.000000
    16  N    5.446537   4.841180   6.554548   1.360896   2.315746
    17  H    5.187384   4.998967   6.461078   1.108246   2.057581
    18  C    6.221173   5.590251   7.304125   2.469465   2.864296
    19  H    5.883576   5.106343   6.803724   3.269164   3.775706
    20  H    7.230273   6.466728   8.223703   3.081234   3.420964
    21  H    6.416875   6.072122   7.684104   2.576096   2.479951
    22  C    5.104713   4.094951   5.864550   2.465762   3.635719
    23  H    6.106981   4.929818   6.700059   3.177384   4.279212
    24  H    4.527240   3.337927   5.135879   3.192170   4.277342
    25  H    4.779989   3.870111   5.527927   2.548696   3.790902
    26  C    2.965123   4.603311   4.604613   5.650174   5.736810
    27  O    3.870225   5.485770   5.403034   6.408756   6.324512
    28  N    3.252234   4.581260   5.013177   4.473124   4.525282
    29  H    2.307365   4.076244   3.751392   6.086677   6.369300
    30  C    3.061696   4.100421   4.649966   4.054096   4.407023
    31  H    4.055447   5.075356   5.535391   4.447221   4.681320
    32  H    3.253725   3.823591   4.782538   3.019344   3.539932
    33  H    2.342645   3.486710   3.743212   4.779086   5.306965
    34  C    4.540102   5.664824   6.329304   4.138500   3.792796
    35  H    5.367719   6.578544   7.132325   4.776691   4.300589
    36  H    4.824882   5.978164   6.596533   4.684434   4.235731
    37  H    4.751268   5.554068   6.505287   3.096048   2.695863
    38  C    6.284767   6.279822   7.371355   5.713436   5.597557
    39  O    6.212479   6.023743   7.025906   6.378175   6.463636
    40  N    5.942256   6.320229   7.237563   5.661284   5.382697
    41  H    6.926161   6.794927   8.060663   5.393509   5.186186
    42  C    5.417323   6.077505   6.644558   6.436139   6.256338
    43  H    4.946309   5.451728   5.947739   6.618530   6.639989
    44  H    6.361452   7.092951   7.529406   7.446465   7.172613
    45  H    4.881794   5.810254   6.279666   6.101657   5.889142
    46  C    6.471379   6.984529   7.974483   5.238683   4.661791
    47  H    7.093375   7.395455   8.566837   4.988850   4.333537
    48  H    5.782103   6.432246   7.399044   4.551663   3.965219
    49  H    7.215625   7.887994   8.738193   6.199727   5.513563
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057166   0.000000
    18  C    1.464938   3.417818   0.000000
    19  H    2.098808   4.090982   1.101773   0.000000
    20  H    2.121729   3.987454   1.102853   1.791276   0.000000
    21  H    2.102823   3.654380   1.097558   1.797320   1.797287
    22  C    1.463131   2.560502   2.491114   2.613456   2.931179
    23  H    2.115173   3.308865   2.795448   2.933144   2.816627
    24  H    2.106874   3.344368   2.735149   2.400541   3.336920
    25  H    2.104220   2.153254   3.417979   3.634202   3.885901
    26  C    6.147951   5.483475   6.800536   6.767796   7.875662
    27  O    6.874091   6.403409   7.317231   7.238373   8.403884
    28  N    5.155397   4.259676   5.936762   6.089553   6.963433
    29  H    6.479235   5.780145   7.238904   7.121571   8.306021
    30  C    4.769020   3.504841   5.847420   6.065396   6.792169
    31  H    5.367706   3.766785   6.522576   6.875707   7.393613
    32  H    3.705058   2.451321   4.861646   5.139967   5.763840
    33  H    5.283275   4.164546   6.382152   6.450223   7.336126
    34  C    5.003096   4.172446   5.601353   5.930240   6.573136
    35  H    5.806826   4.707177   6.463596   6.894882   7.370903
    36  H    5.381173   4.922502   5.714955   5.937974   6.714094
    37  H    4.046492   3.229443   4.677855   5.136538   5.595363
    38  C    5.188738   6.559215   4.289855   3.739542   5.054759
    39  O    5.667271   7.142264   4.805394   4.011492   5.537351
    40  N    5.445883   6.431862   4.798207   4.458831   5.684218
    41  H    4.840878   6.352497   3.729477   3.321042   4.337611
    42  C    6.290819   7.029781   5.880175   5.459687   6.854436
    43  H    6.301663   7.147944   5.927305   5.334386   6.908024
    44  H    7.328066   8.066537   6.834015   6.417324   7.762094
    45  H    6.162479   6.579577   5.984793   5.702532   7.018343
    46  C    5.321598   6.057170   4.736153   4.734494   5.568300
    47  H    5.000967   5.934671   4.208804   4.320050   4.889508
    48  H    4.845280   5.257918   4.557380   4.682744   5.475955
    49  H    6.379742   6.988050   5.800261   5.820848   6.590284
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390497   0.000000
    23  H    3.829135   1.102372   0.000000
    24  H    3.609396   1.102186   1.789436   0.000000
    25  H    4.178890   1.098837   1.797386   1.795138   0.000000
    26  C    6.520057   6.481534   7.583835   6.212821   6.195696
    27  O    6.896684   7.343239   8.438410   7.017661   7.186422
    28  N    5.654224   5.607982   6.697673   5.542985   5.269357
    29  H    7.110261   6.567973   7.654782   6.222263   6.183096
    30  C    5.793970   4.959212   6.008004   5.025630   4.375075
    31  H    6.432077   5.611153   6.597583   5.839788   4.918773
    32  H    4.901230   3.906172   4.943375   4.078703   3.342439
    33  H    6.456295   5.192315   6.225706   5.102779   4.543045
    34  C    5.084203   5.811648   6.848568   5.898076   5.622286
    35  H    5.907298   6.644005   7.649881   6.835849   6.360875
    36  H    5.072305   6.268644   7.298600   6.230450   6.242601
    37  H    4.175484   4.976019   5.962363   5.197555   4.840280
    38  C    3.794409   5.926110   6.553832   5.396551   6.686665
    39  O    4.561738   6.129621   6.704755   5.412328   6.912110
    40  N    4.129210   6.300068   7.079533   5.854461   6.894027
    41  H    3.143164   5.725015   6.233105   5.349452   6.571277
    42  C    5.321060   6.963839   7.843853   6.400681   7.414381
    43  H    5.556428   6.757007   7.615939   6.048647   7.216288
    44  H    6.207692   8.042749   8.901707   7.478558   8.510665
    45  H    5.405905   6.854845   7.820017   6.377835   7.156316
    46  C    3.830574   6.430214   7.214880   6.227217   6.955819
    47  H    3.214147   6.217533   6.877574   6.120092   6.846376
    48  H    3.690187   5.954904   6.828726   5.834150   6.333318
    49  H    4.852067   7.512104   8.304602   7.316198   8.002236
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242768   0.000000
    28  N    1.361142   2.315392   0.000000
    29  H    1.107836   2.057490   2.057145   0.000000
    30  C    2.467261   3.636135   1.463497   2.563828   0.000000
    31  H    3.136361   4.227425   2.115453   3.261908   1.102988
    32  H    3.233461   4.325916   2.109464   3.394833   1.102057
    33  H    2.556602   3.799110   2.104250   2.165752   1.098423
    34  C    2.463284   2.852696   1.465234   3.413929   2.495787
    35  H    3.025276   3.329020   2.122616   3.940401   2.946172
    36  H    2.584784   2.499087   2.100322   3.659492   3.389534
    37  H    3.293137   3.807448   2.099131   4.116654   2.615748
    38  C    6.214863   6.010381   6.115097   6.811289   6.899931
    39  O    6.602092   6.429498   6.656513   7.030405   7.359060
    40  N    5.289604   4.923300   5.264643   6.018581   6.260953
    41  H    6.836124   6.715713   6.533718   7.483220   7.219147
    42  C    4.620719   4.047719   4.966807   5.274231   6.105157
    43  H    4.731563   4.298118   5.186535   5.173044   6.179332
    44  H    5.353603   4.578042   5.813058   6.029770   7.043282
    45  H    3.628178   2.993677   4.019114   4.377819   5.263115
    46  C    5.307854   4.947002   5.033645   6.211390   6.071968
    47  H    6.140580   5.909803   5.685091   7.023482   6.558581
    48  H    4.414794   4.175431   4.009465   5.361967   5.051656
    49  H    5.711244   5.137372   5.563793   6.678210   6.740664
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787539   0.000000
    33  H    1.798417   1.794412   0.000000
    34  C    2.806500   2.737532   3.420451   0.000000
    35  H    2.841370   3.348763   3.899771   1.103432   0.000000
    36  H    3.837406   3.606204   4.173518   1.097346   1.796152
    37  H    2.939125   2.402336   3.634469   1.099557   1.790590
    38  C    7.818249   6.454108   7.285587   5.771874   6.754221
    39  O    8.358274   6.927997   7.574717   6.555507   7.591956
    40  N    7.119600   5.984835   6.716871   4.813428   5.731734
    41  H    8.068755   6.647839   7.710166   6.024148   6.958638
    42  C    7.000264   6.063210   6.401504   4.786060   5.684117
    43  H    7.165475   6.116016   6.303256   5.285588   6.259417
    44  H    7.891164   7.074082   7.342125   5.554165   6.345797
    45  H    6.100574   5.356064   5.596859   3.853704   4.706383
    46  C    6.761108   5.790640   6.738201   4.200260   4.959707
    47  H    7.207461   6.116714   7.283635   4.765552   5.491983
    48  H    5.690567   4.817815   5.780586   3.105004   3.879060
    49  H    7.357542   6.586976   7.422636   4.639867   5.238349
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796788   0.000000
    38  C    5.107232   5.510276   0.000000
    39  O    5.933955   6.345973   1.243032   0.000000
    40  N    4.002491   4.736326   1.360392   2.312055   0.000000
    41  H    5.439961   5.585835   1.108839   2.058313   2.060684
    42  C    3.895816   5.016899   2.469770   2.857870   1.466341
    43  H    4.530992   5.490919   2.582565   2.480871   2.106114
    44  H    4.566188   5.872978   3.063302   3.394269   2.114780
    45  H    2.941355   4.248166   3.275318   3.777399   2.100187
    46  C    3.372043   4.046466   2.466474   3.633265   1.463723
    47  H    4.095245   4.375162   2.553374   3.795833   2.105718
    48  H    2.330986   2.969017   3.150790   4.227052   2.109479
    49  H    3.680511   4.661332   3.215366   4.316500   2.111341
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.421516   0.000000
    43  H    3.661076   1.098106   0.000000
    44  H    3.974639   1.102542   1.798539   0.000000
    45  H    4.100151   1.100869   1.796814   1.794358   0.000000
    46  C    2.567852   2.490983   3.381355   2.956576   2.589744
    47  H    2.164871   3.419844   4.183389   3.878732   3.635633
    48  H    3.293744   2.771418   3.600393   3.428717   2.436902
    49  H    3.369994   2.755018   3.799405   2.818820   2.819025
                   46         47         48         49
    46  C    0.000000
    47  H    1.098460   0.000000
    48  H    1.102583   1.793772   0.000000
    49  H    1.101632   1.796915   1.790782   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143990      0.1944037      0.1845240
 Leave Link  202 at Mon Nov 14 03:31:40 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.9382081232 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841250146 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.7540831086 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4037
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.30D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.18%
 GePol: Cavity surface area                          =    467.979 Ang**2
 GePol: Cavity volume                                =    458.109 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040050184 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.7500780902 Hartrees.
 Leave Link  301 at Mon Nov 14 03:31:41 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37493.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.42D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:31:42 2016, MaxMem=  2952790016 cpu:        15.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:31:42 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.005049    0.002609    0.002841
         Rot=    1.000000   -0.000239    0.000582   -0.000305 Ang=  -0.08 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50892684621    
 Leave Link  401 at Mon Nov 14 03:31:49 2016, MaxMem=  2952790016 cpu:        81.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48892107.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.55D-15 for   2458.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.04D-15 for   2431    159.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   3063.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.35D-08 for   1990   1959.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.15D-14 for     41.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.36D-14 for   2462    176.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for    159.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.00D-15 for   2332    127.
 E= -1013.45008575066    
 DIIS: error= 9.60D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45008575066     IErMin= 1 ErrMin= 9.60D-04
 ErrMax= 9.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.27D-04 BMatP= 8.27D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.60D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.51D-04 MaxDP=4.92D-03              OVMax= 7.59D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.51D-04    CP:  1.00D+00
 E= -1013.45130236737     Delta-E=       -0.001216616714 Rises=F Damp=F
 DIIS: error= 1.69D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45130236737     IErMin= 2 ErrMin= 1.69D-04
 ErrMax= 1.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-05 BMatP= 8.27D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.69D-03
 Coeff-Com:  0.431D-01 0.957D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.430D-01 0.957D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.42D-05 MaxDP=2.70D-03 DE=-1.22D-03 OVMax= 4.05D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.24D-05    CP:  1.00D+00  9.22D-01
 E= -1013.45119543471     Delta-E=        0.000106932664 Rises=F Damp=F
 DIIS: error= 5.28D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45130236737     IErMin= 2 ErrMin= 1.69D-04
 ErrMax= 5.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-04 BMatP= 2.79D-05
 IDIUse=3 WtCom= 3.03D-01 WtEn= 6.97D-01
 Coeff-Com:  0.430D-02 0.711D+00 0.285D+00
 Coeff-En:   0.000D+00 0.792D+00 0.208D+00
 Coeff:      0.130D-02 0.767D+00 0.231D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.67D-05 MaxDP=1.70D-03 DE= 1.07D-04 OVMax= 2.81D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.89D-06    CP:  1.00D+00  9.48D-01  4.15D-01
 E= -1013.45132346261     Delta-E=       -0.000128027904 Rises=F Damp=F
 DIIS: error= 5.28D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45132346261     IErMin= 4 ErrMin= 5.28D-05
 ErrMax= 5.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-06 BMatP= 2.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.290D-04 0.284D+00 0.214D-01 0.694D+00
 Coeff:      0.290D-04 0.284D+00 0.214D-01 0.694D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.19D-06 MaxDP=3.16D-04 DE=-1.28D-04 OVMax= 4.39D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.11D-06    CP:  1.00D+00  9.61D-01  3.09D-01  7.56D-01
 E= -1013.45132595416     Delta-E=       -0.000002491545 Rises=F Damp=F
 DIIS: error= 4.28D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45132595416     IErMin= 5 ErrMin= 4.28D-05
 ErrMax= 4.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.96D-07 BMatP= 3.47D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.305D-04 0.147D+00-0.341D-02 0.467D+00 0.389D+00
 Coeff:     -0.305D-04 0.147D+00-0.341D-02 0.467D+00 0.389D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.64D-06 MaxDP=1.24D-04 DE=-2.49D-06 OVMax= 1.59D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.96D-07    CP:  1.00D+00  9.61D-01  3.06D-01  7.66D-01  5.61D-01
 E= -1013.45132638193     Delta-E=       -0.000000427769 Rises=F Damp=F
 DIIS: error= 2.91D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45132638193     IErMin= 6 ErrMin= 2.91D-06
 ErrMax= 2.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.63D-09 BMatP= 4.96D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.235D-04 0.498D-01-0.205D-02 0.168D+00 0.165D+00 0.619D+00
 Coeff:     -0.235D-04 0.498D-01-0.205D-02 0.168D+00 0.165D+00 0.619D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.52D-07 MaxDP=1.60D-05 DE=-4.28D-07 OVMax= 1.43D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.17D-07    CP:  1.00D+00  9.61D-01  3.07D-01  7.69D-01  5.67D-01
                    CP:  8.76D-01
 E= -1013.45132638560     Delta-E=       -0.000000003668 Rises=F Damp=F
 DIIS: error= 8.64D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45132638560     IErMin= 7 ErrMin= 8.64D-07
 ErrMax= 8.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-10 BMatP= 4.63D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-04 0.114D-01-0.751D-03 0.417D-01 0.483D-01 0.349D+00
 Coeff-Com:  0.550D+00
 Coeff:     -0.153D-04 0.114D-01-0.751D-03 0.417D-01 0.483D-01 0.349D+00
 Coeff:      0.550D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.33D-08 MaxDP=6.40D-06 DE=-3.67D-09 OVMax= 5.22D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.52D-08    CP:  1.00D+00  9.61D-01  3.07D-01  7.71D-01  5.68D-01
                    CP:  8.83D-01  7.10D-01
 E= -1013.45132638647     Delta-E=       -0.000000000872 Rises=F Damp=F
 DIIS: error= 2.26D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45132638647     IErMin= 8 ErrMin= 2.26D-07
 ErrMax= 2.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.63D-11 BMatP= 9.46D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.764D-05 0.347D-02-0.239D-03 0.132D-01 0.167D-01 0.147D+00
 Coeff-Com:  0.278D+00 0.542D+00
 Coeff:     -0.764D-05 0.347D-02-0.239D-03 0.132D-01 0.167D-01 0.147D+00
 Coeff:      0.278D+00 0.542D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.25D-08 MaxDP=2.11D-06 DE=-8.72D-10 OVMax= 3.53D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.69D-08    CP:  1.00D+00  9.61D-01  3.07D-01  7.71D-01  5.68D-01
                    CP:  8.83D-01  7.36D-01  7.39D-01
 E= -1013.45132638651     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 2.78D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45132638651     IErMin= 8 ErrMin= 2.26D-07
 ErrMax= 2.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-11 BMatP= 4.63D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.325D-05 0.686D-03-0.503D-04 0.294D-02 0.460D-02 0.563D-01
 Coeff-Com:  0.129D+00 0.459D+00 0.348D+00
 Coeff:     -0.325D-05 0.686D-03-0.503D-04 0.294D-02 0.460D-02 0.563D-01
 Coeff:      0.129D+00 0.459D+00 0.348D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.69D-08 MaxDP=9.90D-07 DE=-3.68D-11 OVMax= 1.69D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.86D-09    CP:  1.00D+00  9.61D-01  3.07D-01  7.71D-01  5.68D-01
                    CP:  8.85D-01  7.22D-01  7.90D-01  5.00D-01
 E= -1013.45132638646     Delta-E=        0.000000000049 Rises=F Damp=F
 DIIS: error= 1.93D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1013.45132638651     IErMin=10 ErrMin= 1.93D-08
 ErrMax= 1.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.99D-13 BMatP= 4.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.985D-06 0.654D-04-0.491D-05 0.399D-03 0.914D-03 0.152D-01
 Coeff-Com:  0.390D-01 0.169D+00 0.157D+00 0.618D+00
 Coeff:     -0.985D-06 0.654D-04-0.491D-05 0.399D-03 0.914D-03 0.152D-01
 Coeff:      0.390D-01 0.169D+00 0.157D+00 0.618D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.90D-09 MaxDP=1.20D-07 DE= 4.87D-11 OVMax= 1.49D-07

 Error on total polarization charges =  0.04318
 SCF Done:  E(RB97D) =  -1013.45132639     A.U. after   10 cycles
            NFock= 10  Conv=0.29D-08     -V/T= 2.0213
 KE= 9.923524014354D+02 PE=-6.029049409250D+03 EE= 2.174495603338D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:33:50 2016, MaxMem=  2952790016 cpu:      1388.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37493.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 03:33:58 2016, MaxMem=  2952790016 cpu:        96.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:33:59 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:34:35 2016, MaxMem=  2952790016 cpu:       439.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.22359874D+00-2.52527218D+00 3.32321702D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000460575    0.000129810   -0.000260043
      2        6          -0.000196610    0.000212471   -0.000347788
      3        8           0.000113226   -0.000005366    0.000364016
      4        7          -0.000183974   -0.000218888   -0.000053450
      5        1          -0.000015398   -0.000033585   -0.000015997
      6        6          -0.000242137    0.000314698    0.000738724
      7        1           0.000038377    0.000049089   -0.000006193
      8        1           0.000086218    0.000169702   -0.000161744
      9        1           0.000056385   -0.000268437   -0.000082057
     10        6           0.000058240   -0.000005250    0.000018533
     11        1           0.000036871   -0.000057271    0.000063035
     12        1           0.000025957   -0.000002372   -0.000022763
     13        1           0.000017138    0.000048493    0.000014140
     14        6           0.000003636    0.000036286    0.000016665
     15        8          -0.000014610    0.000006294   -0.000043313
     16        7           0.000063152   -0.000081875   -0.000022971
     17        1          -0.000000034    0.000014571   -0.000079260
     18        6          -0.000074048    0.000193091   -0.000140134
     19        1           0.000012666   -0.000041140    0.000021332
     20        1           0.000015874   -0.000007266   -0.000063837
     21        1           0.000016682   -0.000103483   -0.000022638
     22        6           0.000092611   -0.000081310    0.000043327
     23        1           0.000049676   -0.000016753   -0.000009319
     24        1           0.000027062    0.000136570   -0.000179563
     25        1           0.000041821    0.000043248   -0.000054368
     26        6          -0.000198244   -0.000138153   -0.000080165
     27        8           0.000056758   -0.000211506    0.000025301
     28        7          -0.000082748   -0.000133099   -0.000036258
     29        1           0.000030914   -0.000056844    0.000041842
     30        6           0.000159319    0.000120790    0.000295244
     31        1           0.000043136   -0.000062071   -0.000078177
     32        1          -0.000108364    0.000040232    0.000053504
     33        1          -0.000012229    0.000060755    0.000021990
     34        6           0.000080529    0.000205766   -0.000006927
     35        1          -0.000034349   -0.000045021    0.000056819
     36        1          -0.000050569   -0.000006503    0.000017527
     37        1          -0.000033148    0.000010906    0.000020015
     38        6           0.000301208    0.000205899   -0.000556707
     39        8          -0.000297639    0.000159948   -0.000465770
     40        7           0.000085690   -0.001065898    0.000608318
     41        1           0.000220134    0.000196587    0.000194764
     42        6          -0.000734884   -0.000388538    0.000615528
     43        1          -0.000009749    0.000305282    0.000148109
     44        1           0.000929598    0.000463729   -0.000378573
     45        1          -0.000495421    0.000145844   -0.000136396
     46        6          -0.000588724    0.000070033   -0.000257215
     47        1          -0.000165091   -0.000060898    0.000114410
     48        1           0.000423368   -0.000204694   -0.000097146
     49        1          -0.000008849   -0.000043874    0.000165626
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001065898 RMS     0.000232893
 Leave Link  716 at Mon Nov 14 03:34:35 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000531798 RMS     0.000057170
 Search for a local minimum.
 Step number  75 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .57170D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   56   60   61   62   67
                                                     68   69   70   71   73
                                                     74   75
 DE=  6.20D-06 DEPred=-4.61D-05 R=-1.34D-01
 Trust test=-1.34D-01 RLast= 3.17D-01 DXMaxT set to 5.34D-02
 ITU= -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0
 ITU=  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00007   0.00010   0.00031   0.00120   0.00139
     Eigenvalues ---    0.00176   0.00194   0.00231   0.00305   0.00358
     Eigenvalues ---    0.00411   0.00470   0.00592   0.00669   0.00714
     Eigenvalues ---    0.00724   0.00828   0.00871   0.00999   0.01012
     Eigenvalues ---    0.01072   0.01105   0.01187   0.01226   0.01296
     Eigenvalues ---    0.01301   0.01463   0.01492   0.01571   0.01648
     Eigenvalues ---    0.01697   0.01708   0.01797   0.01837   0.01865
     Eigenvalues ---    0.01912   0.02010   0.02093   0.02149   0.02211
     Eigenvalues ---    0.02250   0.02486   0.02594   0.02873   0.02985
     Eigenvalues ---    0.03076   0.03683   0.03890   0.04258   0.04358
     Eigenvalues ---    0.04526   0.05148   0.05432   0.05745   0.06112
     Eigenvalues ---    0.06319   0.06345   0.06424   0.06613   0.06762
     Eigenvalues ---    0.06912   0.07189   0.07333   0.07693   0.07975
     Eigenvalues ---    0.08072   0.08166   0.08198   0.08300   0.08427
     Eigenvalues ---    0.08582   0.08761   0.08970   0.09168   0.09250
     Eigenvalues ---    0.09608   0.09705   0.09785   0.09910   0.10081
     Eigenvalues ---    0.10224   0.10440   0.10491   0.10782   0.10910
     Eigenvalues ---    0.11206   0.11291   0.11385   0.11705   0.13197
     Eigenvalues ---    0.13407   0.14230   0.14767   0.15025   0.15327
     Eigenvalues ---    0.15515   0.16244   0.20999   0.22114   0.22527
     Eigenvalues ---    0.23583   0.24229   0.24816   0.25788   0.25928
     Eigenvalues ---    0.26921   0.27419   0.28005   0.29144   0.29606
     Eigenvalues ---    0.29831   0.30521   0.32741   0.32804   0.32823
     Eigenvalues ---    0.32849   0.33297   0.33339   0.33356   0.33374
     Eigenvalues ---    0.33393   0.33422   0.33461   0.33516   0.33694
     Eigenvalues ---    0.33794   0.33813   0.33833   0.33918   0.33940
     Eigenvalues ---    0.34017   0.34132   0.34161   0.37280   0.38729
     Eigenvalues ---    0.40290   0.40858   0.85888   0.86004   0.86384
     Eigenvalues ---    0.87783
 Eigenvalue     1 is   6.71D-05 Eigenvector:
                         D407      D405      D403      D389      D391
   1                   -0.20889  -0.20204  -0.20076  -0.20028  -0.19153
                         D375      D383      D401      D369      D393
   1                   -0.18938  -0.18738  -0.18379  -0.18302  -0.18277
 Eigenvalue     2 is   9.62D-05 Eigenvector:
                         D480      D482      D481      D486      D487
   1                    0.26460   0.24959   0.24138  -0.17397  -0.17212
                         D488       R18      D483      D485       R21
   1                   -0.16756  -0.15845   0.13687   0.12186  -0.11910
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    75   74   73   72   71
 RFO step:  Lambda=-1.14385332D-05.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC= -2.27D-04 SmlDif=  1.00D-05
 RMS Error=  0.4430807572D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.24281    0.15587    0.02333    0.11155    0.46643
 Iteration  1 RMS(Cart)=  0.01148332 RMS(Int)=  0.00064319
 Iteration  2 RMS(Cart)=  0.00011394 RMS(Int)=  0.00004194
 Iteration  3 RMS(Cart)=  0.00000011 RMS(Int)=  0.00004194
 ITry= 1 IFail=0 DXMaxC= 1.17D-01 DCOld= 1.00D+10 DXMaxT= 5.34D-02 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59923  -0.00001  -0.00432   0.00718   0.00284   6.60207
    R2        6.27301  -0.00011  -0.00143  -0.00679  -0.00821   6.26480
    R3        7.25265  -0.00009   0.00374   0.00157   0.00530   7.25796
    R4        6.34787   0.00009  -0.00060   0.00235   0.00178   6.34965
    R5        6.54590  -0.00009  -0.00759  -0.00591  -0.01349   6.53240
    R6        5.99806  -0.00005  -0.01243   0.00220  -0.01024   5.98782
    R7        6.69916  -0.00006  -0.00132  -0.00387  -0.00519   6.69396
    R8        6.23146  -0.00003  -0.00071   0.00043  -0.00028   6.23118
    R9        6.66482   0.00000  -0.00284  -0.00163  -0.00447   6.66036
   R10        6.08193   0.00002  -0.00207  -0.00331  -0.00538   6.07655
   R11        6.95828  -0.00002   0.00211   0.00143   0.00353   6.96181
   R12        6.02396   0.00001   0.00411   0.00191   0.00603   6.02999
   R13        6.88565  -0.00015  -0.00412  -0.00280  -0.00691   6.87873
   R14        6.19954   0.00001  -0.00242   0.00282   0.00044   6.19997
   R15        6.88110   0.00005  -0.00311   0.00378   0.00070   6.88180
   R16        5.96527  -0.00003  -0.00290  -0.00052  -0.00342   5.96185
   R17        6.68939   0.00003   0.00010   0.00235   0.00246   6.69185
   R18        6.58313  -0.00012   0.00843  -0.00235   0.00615   6.58928
   R19        6.21252  -0.00004   0.00259   0.00477   0.00752   6.22003
   R20        6.57590   0.00024   0.01835   0.00201   0.02036   6.59625
   R21        6.12232   0.00007  -0.02071  -0.00895  -0.02980   6.09252
   R22        7.00814  -0.00002  -0.01048   0.00487  -0.00541   7.00273
   R23        6.01713  -0.00012  -0.00871   0.00793  -0.00080   6.01633
   R24        2.34986  -0.00017   0.00006  -0.00014  -0.00008   2.34978
   R25        2.57124   0.00004   0.00007  -0.00016  -0.00009   2.57115
   R26        2.09502  -0.00004  -0.00025   0.00006  -0.00019   2.09483
   R27        2.76395   0.00015   0.00115  -0.00009   0.00105   2.76501
   R28        2.76763   0.00007   0.00057  -0.00014   0.00043   2.76806
   R29        2.07663   0.00000  -0.00010  -0.00007  -0.00017   2.07645
   R30        2.08305  -0.00014  -0.00045   0.00049   0.00005   2.08310
   R31        2.08299  -0.00001  -0.00007   0.00015   0.00008   2.08307
   R32        2.08031   0.00004   0.00014  -0.00020  -0.00005   2.08026
   R33        2.07457   0.00003   0.00011   0.00001   0.00012   2.07469
   R34        2.08353   0.00000  -0.00006   0.00009   0.00003   2.08356
   R35        2.34879  -0.00001   0.00005   0.00004   0.00008   2.34888
   R36        2.57172  -0.00002  -0.00009   0.00003  -0.00008   2.57165
   R37        2.09428   0.00001  -0.00005  -0.00004  -0.00010   2.09419
   R38        2.76833   0.00004   0.00029   0.00013   0.00043   2.76876
   R39        2.76492  -0.00001   0.00002  -0.00003  -0.00002   2.76490
   R40        2.08205  -0.00005  -0.00028   0.00017  -0.00013   2.08192
   R41        2.08409  -0.00001  -0.00005  -0.00007  -0.00011   2.08398
   R42        2.07408  -0.00002   0.00007   0.00009   0.00017   2.07425
   R43        2.08318  -0.00001   0.00001  -0.00002  -0.00001   2.08317
   R44        2.08283   0.00011   0.00048   0.00014   0.00068   2.08351
   R45        2.07650   0.00002   0.00004   0.00000   0.00005   2.07655
   R46        2.34849  -0.00018  -0.00023   0.00009  -0.00014   2.34835
   R47        2.57218  -0.00017  -0.00024   0.00024  -0.00004   2.57215
   R48        2.09351   0.00001   0.00004  -0.00006  -0.00002   2.09348
   R49        2.76561  -0.00012  -0.00036  -0.00050  -0.00091   2.76469
   R50        2.76889  -0.00005  -0.00015  -0.00029  -0.00047   2.76842
   R51        2.08434   0.00003   0.00005  -0.00002   0.00002   2.08437
   R52        2.08259   0.00005   0.00005  -0.00014  -0.00013   2.08246
   R53        2.07572   0.00001   0.00005   0.00013   0.00018   2.07590
   R54        2.08518   0.00003   0.00005   0.00007   0.00011   2.08529
   R55        2.07368   0.00003   0.00009  -0.00010  -0.00001   2.07367
   R56        2.07786  -0.00001   0.00017   0.00014   0.00031   2.07817
   R57        2.34899   0.00053  -0.00030   0.00004  -0.00026   2.34874
   R58        2.57077   0.00014   0.00098   0.00004   0.00082   2.57158
   R59        2.09540  -0.00021  -0.00032   0.00034   0.00002   2.09542
   R60        2.77098   0.00037  -0.00001   0.00008  -0.00008   2.77090
   R61        2.76604  -0.00014  -0.00094   0.00032  -0.00081   2.76523
   R62        2.07512  -0.00007  -0.00051   0.00003  -0.00048   2.07464
   R63        2.08350   0.00003   0.00017  -0.00011   0.00006   2.08357
   R64        2.08034  -0.00036  -0.00104  -0.00038  -0.00149   2.07885
   R65        2.07579   0.00014   0.00038  -0.00013   0.00025   2.07604
   R66        2.08358   0.00030   0.00131   0.00003   0.00124   2.08482
   R67        2.08178   0.00013   0.00048   0.00007   0.00055   2.08233
    A1        0.67986   0.00003   0.00014  -0.00022  -0.00007   0.67978
    A2        0.95693   0.00002  -0.00047  -0.00023  -0.00070   0.95623
    A3        0.72565   0.00003   0.00094  -0.00018   0.00075   0.72640
    A4        1.01652   0.00005   0.00125   0.00008   0.00133   1.01786
    A5        2.34797  -0.00001  -0.00425  -0.00010  -0.00435   2.34362
    A6        2.03313  -0.00002  -0.00578   0.00019  -0.00559   2.02754
    A7        1.99356  -0.00004  -0.00697   0.00066  -0.00631   1.98725
    A8        1.70132  -0.00003  -0.00724   0.00073  -0.00651   1.69481
    A9        1.66065  -0.00001  -0.00482   0.00003  -0.00480   1.65585
   A10        1.38027  -0.00003  -0.00529   0.00016  -0.00516   1.37511
   A11        1.72558   0.00006   0.00303  -0.00049   0.00255   1.72813
   A12        2.02791   0.00006   0.00353   0.00008   0.00362   2.03153
   A13        1.93149   0.00005   0.00309   0.00072   0.00381   1.93531
   A14        2.01613   0.00005   0.00267  -0.00023   0.00244   2.01858
   A15        2.42409   0.00003   0.00326  -0.00037   0.00290   2.42698
   A16        1.60040  -0.00010  -0.01444   0.00035  -0.01415   1.58625
   A17        1.79127   0.00003  -0.00758  -0.00026  -0.00783   1.78343
   A18        1.55918   0.00000   0.00134  -0.00066   0.00066   1.55984
   A19        1.69845  -0.00002   0.00244  -0.00209   0.00036   1.69881
   A20        2.19393   0.00001  -0.00621  -0.00058  -0.00676   2.18717
   A21        2.40977   0.00004  -0.00308  -0.00152  -0.00455   2.40523
   A22        0.64229   0.00002   0.00036   0.00029   0.00064   0.64293
   A23        0.65693   0.00004   0.00089   0.00048   0.00137   0.65830
   A24        2.39623  -0.00001  -0.00285  -0.00012  -0.00295   2.39328
   A25        2.23078  -0.00002  -0.00576   0.00034  -0.00541   2.22537
   A26        2.33582  -0.00003  -0.00720   0.00063  -0.00656   2.32926
   A27        2.07272  -0.00002  -0.00747   0.00066  -0.00680   2.06592
   A28        1.82307  -0.00002  -0.00552   0.00043  -0.00508   1.81799
   A29        1.58399  -0.00004  -0.00639   0.00064  -0.00577   1.57823
   A30        1.33318   0.00005   0.00254  -0.00025   0.00231   1.33548
   A31        1.62954   0.00005   0.00335   0.00040   0.00377   1.63331
   A32        1.57714   0.00004   0.00351   0.00106   0.00458   1.58172
   A33        1.72562   0.00004   0.00356   0.00010   0.00367   1.72929
   A34        2.02785   0.00003   0.00294  -0.00006   0.00288   2.03074
   A35        1.86532  -0.00009  -0.01818   0.00002  -0.01822   1.84709
   A36        1.92319   0.00004  -0.01085  -0.00064  -0.01150   1.91169
   A37        1.56784   0.00000  -0.00441  -0.00076  -0.00522   1.56262
   A38        1.58515   0.00000  -0.00236  -0.00212  -0.00449   1.58066
   A39        2.27269   0.00005  -0.00525  -0.00116  -0.00639   2.26630
   A40        2.36267   0.00004  -0.00083  -0.00222  -0.00301   2.35967
   A41        0.68849   0.00003  -0.00013   0.00000  -0.00013   0.68836
   A42        0.74477   0.00004   0.00018  -0.00008   0.00010   0.74487
   A43        2.65839   0.00001  -0.00113  -0.00071  -0.00183   2.65656
   A44        2.60969   0.00001  -0.00582  -0.00004  -0.00585   2.60385
   A45        2.67134  -0.00001  -0.00659   0.00044  -0.00614   2.66520
   A46        2.36657   0.00000  -0.00639   0.00042  -0.00596   2.36061
   A47        2.20241   0.00001  -0.00579   0.00010  -0.00569   2.19672
   A48        1.96955  -0.00001  -0.00657   0.00031  -0.00627   1.96328
   A49        1.08929   0.00004   0.00349  -0.00028   0.00322   1.09251
   A50        1.44749   0.00003   0.00406   0.00016   0.00422   1.45172
   A51        1.54591   0.00003   0.00428   0.00051   0.00477   1.55068
   A52        1.77868   0.00004   0.00437  -0.00041   0.00394   1.78263
   A53        1.77670   0.00000   0.00326  -0.00032   0.00294   1.77964
   A54        1.72424  -0.00009  -0.02045   0.00056  -0.01993   1.70432
   A55        1.65090   0.00002  -0.01204  -0.00011  -0.01215   1.63875
   A56        1.24594  -0.00003  -0.00704  -0.00015  -0.00724   1.23870
   A57        1.21211  -0.00002  -0.00333  -0.00162  -0.00498   1.20714
   A58        1.93804   0.00003  -0.00420  -0.00071  -0.00489   1.93315
   A59        1.98400   0.00001  -0.00024  -0.00183  -0.00204   1.98196
   A60        0.83746   0.00002   0.00176   0.00130   0.00305   0.84051
   A61        0.77211   0.00003   0.00266   0.00134   0.00399   0.77610
   A62        2.59319   0.00001   0.00433   0.00074   0.00508   2.59827
   A63        2.77067   0.00000  -0.00156   0.00146  -0.00010   2.77057
   A64        2.62468  -0.00001  -0.00728  -0.00034  -0.00761   2.61708
   A65        2.39961   0.00000  -0.00370   0.00149  -0.00222   2.39739
   A66        2.20767  -0.00002  -0.00555   0.00138  -0.00419   2.20347
   A67        0.84490   0.00005   0.00587   0.00052   0.00639   0.85129
   A68        1.21961   0.00004   0.00650   0.00100   0.00749   1.22710
   A69        1.39656   0.00003   0.00743   0.00164   0.00905   1.40561
   A70        1.66553   0.00003   0.00770   0.00096   0.00863   1.67416
   A71        1.51278   0.00000   0.00471   0.00007   0.00478   1.51756
   A72        1.74229  -0.00008  -0.02364  -0.00099  -0.02464   1.71765
   A73        1.56474   0.00002  -0.01533  -0.00157  -0.01690   1.54784
   A74        1.13364  -0.00003  -0.01294  -0.00144  -0.01443   1.11921
   A75        1.02117   0.00000  -0.00792  -0.00259  -0.01054   1.01063
   A76        1.77273   0.00004  -0.00529  -0.00198  -0.00724   1.76549
   A77        1.76097   0.00001  -0.00091  -0.00277  -0.00366   1.75731
   A78        1.99813  -0.00001  -0.00232  -0.00064  -0.00296   1.99517
   A79        1.94862  -0.00002  -0.00492  -0.00007  -0.00499   1.94363
   A80        2.23133  -0.00002  -0.00623   0.00036  -0.00586   2.22547
   A81        2.09213   0.00000  -0.00712   0.00067  -0.00644   2.08568
   A82        1.56218  -0.00002  -0.00540   0.00021  -0.00519   1.55699
   A83        1.39799  -0.00003  -0.00649   0.00059  -0.00591   1.39208
   A84        1.19507   0.00001   0.00016  -0.00018   0.00000   1.19507
   A85        1.37678   0.00002   0.00139   0.00042   0.00181   1.37859
   A86        1.20703   0.00002   0.00198   0.00093   0.00291   1.20995
   A87        1.30911   0.00002   0.00252  -0.00018   0.00234   1.31145
   A88        1.80318   0.00001   0.00137   0.00021   0.00159   1.80477
   A89        2.29448  -0.00007  -0.01693   0.00036  -0.01660   2.27787
   A90        2.33243   0.00005  -0.01161  -0.00015  -0.01175   2.32068
   A91        1.93414   0.00000  -0.00754  -0.00013  -0.00769   1.92645
   A92        1.85847   0.00001  -0.00654  -0.00128  -0.00782   1.85065
   A93        2.61002   0.00006  -0.00362  -0.00067  -0.00424   2.60578
   A94        2.54819   0.00001   0.00133  -0.00151  -0.00014   2.54805
   A95        1.91429  -0.00002  -0.00104  -0.00062  -0.00166   1.91263
   A96        2.00027  -0.00002  -0.00358   0.00018  -0.00340   1.99688
   A97        2.37909  -0.00002  -0.00457   0.00059  -0.00396   2.37513
   A98        2.33815   0.00000  -0.00625   0.00112  -0.00512   2.33303
   A99        1.67474  -0.00002  -0.00471   0.00068  -0.00402   1.67072
   A100       1.58363  -0.00003  -0.00591   0.00117  -0.00475   1.57888
   A101       0.88997   0.00000  -0.00067  -0.00062  -0.00128   0.88869
   A102       1.05565   0.00000   0.00114   0.00002   0.00116   1.05681
   A103       0.92239   0.00000   0.00239   0.00061   0.00299   0.92538
   A104       1.07957   0.00001   0.00321  -0.00040   0.00279   1.08236
   A105       1.48200  -0.00001   0.00110  -0.00020   0.00089   1.48289
   A106       2.46827  -0.00006  -0.02009   0.00049  -0.01963   2.44864
   A107       2.33415   0.00004  -0.01288  -0.00027  -0.01314   2.32101
   A108       1.90107   0.00000  -0.01152  -0.00012  -0.01167   1.88939
   A109       1.73004   0.00003  -0.00974  -0.00115  -0.01090   1.71914
   A110       2.44456   0.00005  -0.00146  -0.00091  -0.00232   2.44224
   A111       2.28367  -0.00002   0.00191  -0.00163   0.00029   2.28396
   A112       0.71340   0.00001   0.00016   0.00039   0.00055   0.71395
   A113       1.00473   0.00000   0.00017   0.00047   0.00065   1.00538
   A114       0.69535   0.00000  -0.00005   0.00009   0.00004   0.69538
   A115       0.98268   0.00002   0.00007   0.00007   0.00015   0.98283
   A116       1.80839  -0.00005  -0.00122  -0.00027  -0.00149   1.80690
   A117       1.42752  -0.00003  -0.00129  -0.00049  -0.00177   1.42575
   A118       1.19851  -0.00002  -0.00282  -0.00090  -0.00370   1.19481
   A119       0.92803  -0.00002  -0.00348  -0.00021  -0.00367   0.92436
   A120       1.24761   0.00001   0.00094   0.00033   0.00128   1.24889
   A121       1.89809   0.00008   0.02120   0.00015   0.02139   1.91948
   A122       1.95215  -0.00004   0.01383   0.00079   0.01462   1.96677
   A123       2.31692   0.00000   0.00660   0.00089   0.00753   2.32446
   A124       2.23539   0.00003   0.00226   0.00223   0.00449   2.23987
   A125       1.61353  -0.00004   0.00831   0.00125   0.00955   1.62308
   A126       1.48261  -0.00003   0.00562   0.00214   0.00774   1.49035
   A127       0.65547   0.00001   0.00012   0.00021   0.00034   0.65580
   A128       0.66091   0.00002   0.00001  -0.00014  -0.00012   0.66079
   A129       2.17473  -0.00005  -0.00240   0.00013  -0.00227   2.17246
   A130       1.80123  -0.00003  -0.00196  -0.00003  -0.00198   1.79925
   A131       1.51290  -0.00002  -0.00386  -0.00012  -0.00395   1.50895
   A132       1.22221  -0.00002  -0.00424   0.00042  -0.00379   1.21842
   A133       1.64052   0.00001   0.00113   0.00051   0.00165   1.64217
   A134       1.74197   0.00006   0.02213  -0.00053   0.02163   1.76360
   A135       1.94752  -0.00002   0.01659   0.00010   0.01670   1.96422
   A136       2.37886   0.00002   0.01450  -0.00001   0.01454   2.39340
   A137       2.46099   0.00001   0.00933   0.00163   0.01100   2.47200
   A138       1.72234  -0.00004   0.00898   0.00075   0.00972   1.73206
   A139       1.68842  -0.00002   0.00624   0.00187   0.00810   1.69651
   A140       0.70440   0.00001   0.00011  -0.00008   0.00004   0.70443
   A141       0.83334   0.00001   0.00027  -0.00023   0.00005   0.83339
   A142       2.49616  -0.00004   0.00067  -0.00008   0.00061   2.49677
   A143       2.11817  -0.00002  -0.00012  -0.00039  -0.00050   2.11767
   A144       1.90785  -0.00001  -0.00301  -0.00035  -0.00334   1.90451
   A145       1.62616  -0.00001  -0.00376   0.00037  -0.00336   1.62280
   A146       1.83024   0.00001   0.00271  -0.00005   0.00266   1.83290
   A147       1.31692   0.00005   0.02181  -0.00069   0.02114   1.33806
   A148       1.56114  -0.00002   0.01662  -0.00025   0.01638   1.57752
   A149       1.99168   0.00002   0.01634  -0.00045   0.01592   2.00759
   A150       2.16969  -0.00001   0.01405   0.00064   0.01470   2.18439
   A151       1.42652  -0.00004   0.00829   0.00027   0.00856   1.43508
   A152       1.49022   0.00000   0.00583   0.00129   0.00712   1.49734
   A153       0.76570   0.00002  -0.00001   0.00003   0.00002   0.76572
   A154       0.76814   0.00002   0.00009  -0.00018  -0.00008   0.76806
   A155       2.80891  -0.00005  -0.00001   0.00008   0.00012   2.80903
   A156       2.42778  -0.00003  -0.00053  -0.00019  -0.00069   2.42709
   A157       2.16755  -0.00001  -0.00388   0.00017  -0.00367   2.16388
   A158       1.87552  -0.00001  -0.00422   0.00069  -0.00350   1.87203
   A159       2.13991   0.00000   0.00307  -0.00010   0.00299   2.14290
   A160       1.18154   0.00003   0.02018  -0.00108   0.01911   1.20065
   A161       1.51004  -0.00002   0.01595  -0.00073   0.01523   1.52528
   A162       1.90470   0.00002   0.01796  -0.00102   0.01696   1.92166
   A163       2.16438  -0.00003   0.01637  -0.00037   0.01600   2.18038
   A164       1.49968  -0.00005   0.00726  -0.00022   0.00705   1.50673
   A165       1.64068   0.00000   0.00536   0.00075   0.00612   1.64680
   A166       2.17187  -0.00006  -0.00559   0.00060  -0.00499   2.16689
   A167       1.87031  -0.00004  -0.00402   0.00070  -0.00331   1.86700
   A168       1.48777  -0.00002  -0.00506   0.00085  -0.00419   1.48359
   A169       1.20732  -0.00002  -0.00466   0.00098  -0.00366   1.20367
   A170       1.87009   0.00000  -0.00050   0.00105   0.00056   1.87065
   A171       1.94697   0.00005   0.01991  -0.00107   0.01889   1.96587
   A172       2.25620  -0.00001   0.01658  -0.00049   0.01611   2.27231
   A173       2.66986   0.00004   0.01784  -0.00094   0.01695   2.68681
   A174       2.11056  -0.00004   0.00872   0.00044   0.00916   2.11972
   A175       2.09634  -0.00002   0.00608   0.00176   0.00783   2.10417
   A176       2.28183  -0.00004  -0.00716   0.00092  -0.00623   2.27561
   A177       2.05846  -0.00002  -0.00496   0.00113  -0.00381   2.05464
   A178       1.64997   0.00000  -0.00549   0.00142  -0.00405   1.64592
   A179       1.39647   0.00001  -0.00460   0.00124  -0.00334   1.39314
   A180       2.13640   0.00002  -0.00104   0.00126   0.00024   2.13664
   A181       1.88316   0.00002   0.01633  -0.00143   0.01496   1.89812
   A182       2.25855   0.00001   0.01474  -0.00110   0.01369   2.27224
   A183       2.57326   0.00003   0.01643  -0.00164   0.01485   2.58810
   A184       2.25059  -0.00003   0.00809  -0.00017   0.00796   2.25855
   A185       2.31405   0.00001   0.00623   0.00130   0.00756   2.32161
   A186       0.69102  -0.00004   0.00010  -0.00010  -0.00002   0.69100
   A187       0.98145  -0.00004   0.00026  -0.00036  -0.00013   0.98132
   A188       0.69944  -0.00003   0.00017   0.00008   0.00024   0.69968
   A189       2.11815   0.00003  -0.00926   0.00050  -0.00872   2.10942
   A190       1.73412   0.00003  -0.00613   0.00025  -0.00590   1.72822
   A191       1.41101   0.00001  -0.01122   0.00063  -0.01062   1.40039
   A192       1.10475   0.00008  -0.00935   0.00045  -0.00892   1.09583
   A193       1.61311   0.00005   0.00259  -0.00014   0.00243   1.61554
   A194       1.40083  -0.00001   0.00345  -0.00085   0.00257   1.40340
   A195       0.66665  -0.00002   0.00021  -0.00021  -0.00002   0.66663
   A196       2.25776   0.00004  -0.00269  -0.00010  -0.00270   2.25506
   A197       1.85973  -0.00001  -0.00326  -0.00010  -0.00337   1.85635
   A198       1.64960  -0.00001  -0.01079   0.00049  -0.01034   1.63926
   A199       1.32824   0.00007  -0.00923   0.00076  -0.00848   1.31976
   A200       1.60457   0.00002   0.00371  -0.00043   0.00326   1.60783
   A201       1.33772  -0.00004   0.00371  -0.00080   0.00288   1.34059
   A202       0.70936   0.00000   0.00036  -0.00043  -0.00008   0.70928
   A203       2.63747   0.00003   0.00171  -0.00078   0.00111   2.63858
   A204       2.25499  -0.00003  -0.00185  -0.00055  -0.00239   2.25261
   A205       2.05981  -0.00003  -0.01084   0.00021  -0.01066   2.04914
   A206       1.73878   0.00004  -0.00921   0.00041  -0.00882   1.72996
   A207       1.94436  -0.00001   0.00453  -0.00079   0.00371   1.94808
   A208       1.66241  -0.00006   0.00399  -0.00087   0.00309   1.66549
   A209       0.83491   0.00000   0.00043   0.00039   0.00080   0.83571
   A210       2.66624   0.00005   0.01117  -0.00013   0.01114   2.67738
   A211       2.38170  -0.00005   0.00158   0.00018   0.00175   2.38346
   A212       2.30312  -0.00003  -0.00999   0.00043  -0.00961   2.29351
   A213       1.98471   0.00004  -0.00869   0.00084  -0.00789   1.97682
   A214       2.00330  -0.00003   0.00488   0.00031   0.00516   2.00845
   A215       1.72603  -0.00007   0.00373   0.00052   0.00420   1.73022
   A216       1.92906   0.00004   0.00252  -0.00041   0.00215   1.93121
   A217       1.56352  -0.00004  -0.00052  -0.00028  -0.00082   1.56270
   A218       1.50038  -0.00004  -0.00892   0.00014  -0.00880   1.49158
   A219       1.20633   0.00003  -0.00773   0.00096  -0.00678   1.19954
   A220       1.23540   0.00000   0.00414  -0.00035   0.00376   1.23916
   A221       0.95460  -0.00005   0.00366  -0.00048   0.00315   0.95775
   A222       0.72513   0.00000  -0.00127   0.00002  -0.00128   0.72386
   A223       1.01528  -0.00005  -0.00073   0.00018  -0.00058   1.01470
   A224       0.69740   0.00005   0.00020  -0.00017   0.00002   0.69742
   A225       0.98057   0.00010   0.00097  -0.00019   0.00078   0.98134
   A226       0.65500  -0.00002   0.00081   0.00028   0.00105   0.65606
   A227       0.66331   0.00001  -0.00001  -0.00051  -0.00058   0.66273
   A228       0.70499   0.00005  -0.00024  -0.00041  -0.00068   0.70431
   A229       0.85350   0.00004  -0.00273  -0.00103  -0.00381   0.84970
   A230       0.75241   0.00004   0.00386   0.00058   0.00439   0.75680
   A231       0.77800   0.00004   0.00122  -0.00007   0.00110   0.77910
   A232       1.59568  -0.00019  -0.00767   0.00195  -0.00572   1.58996
   A233       1.85503   0.00002   0.00629   0.00186   0.00813   1.86316
   A234       2.19110  -0.00010  -0.00100  -0.00013  -0.00114   2.18996
   A235       2.12889   0.00006   0.00052   0.00014   0.00065   2.12954
   A236       1.96287   0.00004   0.00043  -0.00004   0.00041   1.96328
   A237       2.12326  -0.00001   0.00051   0.00079   0.00130   2.12456
   A238       2.12562   0.00006   0.00077  -0.00022   0.00055   2.12617
   A239       2.03351  -0.00004  -0.00137  -0.00017  -0.00157   2.03195
   A240       1.81820   0.00007   0.01172   0.00647   0.01818   1.83638
   A241       2.55721  -0.00014  -0.01295  -0.00658  -0.01953   2.53768
   A242       1.91319   0.00002   0.00043  -0.00020   0.00029   1.91348
   A243       1.91607   0.00006   0.00064   0.00014   0.00076   1.91683
   A244       1.92028  -0.00006  -0.00313  -0.00120  -0.00442   1.91586
   A245       1.90814   0.00004   0.00162   0.00118   0.00279   1.91094
   A246       1.90684   0.00007   0.00131   0.00029   0.00161   1.90845
   A247       1.89917  -0.00013  -0.00086  -0.00020  -0.00101   1.89816
   A248       1.28085   0.00003   0.00164  -0.00274  -0.00109   1.27975
   A249       1.90252   0.00005   0.00058   0.00073   0.00131   1.90383
   A250       1.90903  -0.00003   0.00036   0.00050   0.00085   1.90987
   A251       1.92924  -0.00001  -0.00086  -0.00043  -0.00129   1.92796
   A252       1.91151   0.00001   0.00003  -0.00056  -0.00051   1.91100
   A253       1.89856  -0.00001  -0.00028   0.00011  -0.00018   1.89838
   A254       1.91285   0.00000   0.00017  -0.00035  -0.00018   1.91267
   A255       1.72394  -0.00002  -0.00132  -0.00214  -0.00346   1.72048
   A256       1.76298  -0.00002   0.00109   0.00081   0.00190   1.76488
   A257       2.19085   0.00000   0.00005  -0.00003   0.00003   2.19087
   A258       2.12959   0.00002   0.00024   0.00019   0.00043   2.13001
   A259       1.96255  -0.00002  -0.00029  -0.00016  -0.00046   1.96209
   A260       2.12554   0.00001  -0.00049   0.00028  -0.00021   2.12533
   A261       2.12247  -0.00002   0.00015   0.00000   0.00014   2.12261
   A262       2.03490   0.00001   0.00033  -0.00033   0.00000   2.03490
   A263       1.35232   0.00002  -0.00156   0.00024  -0.00131   1.35101
   A264       1.90047   0.00003  -0.00012   0.00014   0.00004   1.90051
   A265       1.93117  -0.00001   0.00026  -0.00019   0.00007   1.93124
   A266       1.91040  -0.00001  -0.00054  -0.00004  -0.00059   1.90981
   A267       1.89688   0.00000   0.00031  -0.00004   0.00026   1.89714
   A268       1.91311   0.00000   0.00011  -0.00005   0.00005   1.91316
   A269       1.91167  -0.00001  -0.00001   0.00019   0.00018   1.91184
   A270       2.66336   0.00003  -0.00008   0.00019   0.00012   2.66347
   A271       1.69986  -0.00002   0.00037  -0.00012   0.00025   1.70011
   A272       1.92471   0.00000  -0.00050  -0.00023  -0.00073   1.92398
   A273       1.91335   0.00001   0.00040  -0.00016   0.00027   1.91362
   A274       1.91318   0.00001   0.00030   0.00000   0.00030   1.91348
   A275       1.89411  -0.00001   0.00020   0.00022   0.00041   1.89451
   A276       1.91080  -0.00001  -0.00003   0.00005   0.00001   1.91081
   A277       1.90750  -0.00001  -0.00038   0.00013  -0.00026   1.90724
   A278       1.80327  -0.00001   0.00193  -0.00359  -0.00167   1.80159
   A279       1.75656   0.00001  -0.00155   0.00134  -0.00021   1.75635
   A280       2.19011  -0.00004  -0.00010   0.00045   0.00037   2.19048
   A281       2.13030   0.00001   0.00023  -0.00043  -0.00021   2.13009
   A282       1.96268   0.00003  -0.00012  -0.00003  -0.00015   1.96253
   A283       2.12387  -0.00005  -0.00099  -0.00005  -0.00106   2.12281
   A284       2.11588  -0.00005  -0.00006   0.00015   0.00009   2.11597
   A285       2.04025   0.00010   0.00108   0.00006   0.00116   2.04141
   A286       2.68863   0.00005   0.00200  -0.00396  -0.00195   2.68668
   A287       1.67158  -0.00004  -0.00191   0.00349   0.00158   1.67316
   A288       1.92400   0.00002   0.00143   0.00043   0.00187   1.92587
   A289       1.91664  -0.00005  -0.00016   0.00018  -0.00001   1.91663
   A290       1.91321  -0.00001  -0.00069   0.00001  -0.00066   1.91256
   A291       1.89055   0.00006   0.00036  -0.00046  -0.00010   1.89045
   A292       1.91216  -0.00001  -0.00029   0.00020  -0.00009   1.91207
   A293       1.90706  -0.00001  -0.00065  -0.00038  -0.00102   1.90603
   A294       1.35608  -0.00002   0.00178   0.00436   0.00614   1.36221
   A295       1.15028   0.00001  -0.00105  -0.00356  -0.00461   1.14567
   A296       1.93143   0.00003   0.00043  -0.00024   0.00020   1.93163
   A297       1.90680   0.00006   0.00032  -0.00015   0.00016   1.90695
   A298       1.90286  -0.00006  -0.00026   0.00054   0.00028   1.90313
   A299       1.90941  -0.00001   0.00007   0.00008   0.00016   1.90957
   A300       1.89788  -0.00001  -0.00023  -0.00054  -0.00077   1.89711
   A301       1.91541  -0.00001  -0.00034   0.00031  -0.00002   1.91539
   A302       1.64923   0.00013   0.00815   0.00182   0.00996   1.65919
   A303       1.80606  -0.00004  -0.00565  -0.00534  -0.01101   1.79505
   A304       2.18526   0.00032   0.00405   0.00049   0.00444   2.18970
   A305       2.12981  -0.00002  -0.00005  -0.00002  -0.00002   2.12980
   A306       1.96770  -0.00030  -0.00397  -0.00048  -0.00440   1.96330
   A307       2.12481  -0.00032   0.00077  -0.00008   0.00069   2.12550
   A308       2.12338   0.00022  -0.00048   0.00002  -0.00039   2.12298
   A309       2.03253   0.00011  -0.00013  -0.00022  -0.00031   2.03221
   A310       1.26933   0.00021   0.02343   0.00418   0.02749   1.29682
   A311       3.09165  -0.00014  -0.02433  -0.00581  -0.03011   3.06154
   A312       1.91270   0.00010  -0.00035   0.00012  -0.00025   1.91244
   A313       1.92008   0.00011   0.00531   0.00064   0.00665   1.92673
   A314       1.90163  -0.00011   0.00021   0.00058   0.00078   1.90241
   A315       1.91334  -0.00010  -0.00216  -0.00006  -0.00252   1.91082
   A316       1.91277   0.00004  -0.00070  -0.00080  -0.00153   1.91124
   A317       1.90323  -0.00004  -0.00236  -0.00049  -0.00316   1.90007
   A318       1.79276   0.00002  -0.01087  -0.00171  -0.01257   1.78019
   A319       1.91494   0.00007   0.00055  -0.00011   0.00042   1.91536
   A320       1.91583  -0.00008  -0.00124   0.00054  -0.00074   1.91510
   A321       1.91943   0.00006   0.00139  -0.00032   0.00107   1.92049
   A322       1.90533   0.00010   0.00103   0.00057   0.00164   1.90697
   A323       1.91149  -0.00009  -0.00074  -0.00059  -0.00132   1.91018
   A324       1.89663  -0.00007  -0.00101  -0.00009  -0.00108   1.89555
   A325       2.95049  -0.00002  -0.00745   0.00043  -0.00701   2.94348
   A326       3.35910  -0.00003  -0.00238  -0.00206  -0.00444   3.35465
   A327       3.07872  -0.00006  -0.00285  -0.00192  -0.00480   3.07392
   A328       3.19369   0.00002   0.00182  -0.00309  -0.00127   3.19242
   A329       3.26399   0.00001  -0.00157   0.00043  -0.00114   3.26285
   A330       3.26549  -0.00003   0.00185   0.00445   0.00630   3.27178
   A331       3.70425  -0.00007  -0.01161  -0.00230  -0.01389   3.69036
   A332       3.21778   0.00001   0.00062   0.00211   0.00273   3.22051
   A333       2.96601  -0.00003   0.01538  -0.00071   0.01468   2.98069
   A334       2.89764  -0.00003   0.01692  -0.00120   0.01572   2.91337
   A335       3.22659  -0.00002   0.00229  -0.00278  -0.00049   3.22610
   A336       3.07995   0.00002  -0.00017  -0.00079  -0.00097   3.07899
   A337       3.10231  -0.00002  -0.00052  -0.00229  -0.00281   3.09951
   A338       3.04790  -0.00006  -0.00308   0.00121  -0.00190   3.04601
    D1        2.75650   0.00000   0.00133  -0.00067   0.00066   2.75717
    D2       -1.36252   0.00000   0.00043   0.00062   0.00107  -1.36146
    D3        2.77548   0.00000   0.00529   0.00128   0.00657   2.78204
    D4       -1.34355  -0.00001   0.00439   0.00257   0.00697  -1.33658
    D5        1.65978   0.00000   0.00240  -0.00096   0.00145   1.66123
    D6       -2.45925  -0.00001   0.00150   0.00034   0.00185  -2.45740
    D7        1.84143  -0.00001   0.00239  -0.00042   0.00197   1.84340
    D8       -2.27760  -0.00002   0.00149   0.00088   0.00237  -2.27523
    D9        0.32398  -0.00003  -0.00012   0.00040   0.00028   0.32425
   D10        2.48813  -0.00003  -0.00101   0.00170   0.00068   2.48881
   D11        0.02963  -0.00001   0.00336  -0.00056   0.00279   0.03242
   D12        2.19379  -0.00002   0.00246   0.00073   0.00319   2.19698
   D13       -0.44230  -0.00001   0.00467  -0.00083   0.00384  -0.43846
   D14        1.72186  -0.00002   0.00377   0.00046   0.00424   1.72610
   D15       -0.56574  -0.00001   0.00532  -0.00123   0.00408  -0.56167
   D16        1.59841  -0.00001   0.00442   0.00006   0.00448   1.60289
   D17        0.20384   0.00001   0.00490  -0.00121   0.00369   0.20753
   D18        2.36799   0.00000   0.00400   0.00009   0.00409   2.37209
   D19        0.13547   0.00001   0.00644  -0.00170   0.00473   0.14020
   D20        2.29963   0.00001   0.00554  -0.00040   0.00513   2.30476
   D21        2.40415  -0.00004  -0.00146  -0.00069  -0.00215   2.40200
   D22       -1.71488  -0.00005  -0.00236   0.00061  -0.00175  -1.71663
   D23        2.15845  -0.00003  -0.00144  -0.00036  -0.00179   2.15666
   D24       -1.96058  -0.00003  -0.00234   0.00094  -0.00139  -1.96197
   D25        1.71960  -0.00001  -0.00213  -0.00023  -0.00234   1.71726
   D26       -2.39943  -0.00001  -0.00303   0.00107  -0.00194  -2.40137
   D27        1.41435  -0.00002  -0.00283  -0.00009  -0.00289   1.41146
   D28       -2.70468  -0.00002  -0.00373   0.00121  -0.00249  -2.70716
   D29        2.36119   0.00003  -0.00008   0.00035   0.00027   2.36146
   D30       -1.75784   0.00002  -0.00098   0.00165   0.00068  -1.75717
   D31       -1.74778  -0.00003  -0.01337  -0.00017  -0.01355  -1.76133
   D32        0.41637  -0.00003  -0.01427   0.00113  -0.01314   0.40323
   D33       -2.10320   0.00001  -0.00864  -0.00061  -0.00926  -2.11246
   D34        0.06096   0.00001  -0.00954   0.00069  -0.00886   0.05210
   D35       -2.47183  -0.00003  -0.01272  -0.00014  -0.01290  -2.48473
   D36       -0.30767  -0.00003  -0.01362   0.00116  -0.01250  -0.32017
   D37       -2.76217   0.00004  -0.01048  -0.00050  -0.01099  -2.77317
   D38       -0.59802   0.00003  -0.01138   0.00080  -0.01059  -0.60861
   D39       -2.14263   0.00007   0.00234  -0.00140   0.00093  -2.14170
   D40        0.02153   0.00007   0.00144  -0.00011   0.00133   0.02286
   D41       -2.39082   0.00000   0.00678  -0.00261   0.00418  -2.38664
   D42       -0.22666   0.00000   0.00588  -0.00131   0.00458  -0.22208
   D43        1.26938   0.00000  -0.00640  -0.00329  -0.00969   1.25969
   D44       -1.92947   0.00001  -0.00283   0.00230  -0.00052  -1.92999
   D45        2.46182   0.00001  -0.00473  -0.00344  -0.00818   2.45364
   D46       -0.73702   0.00002  -0.00115   0.00215   0.00099  -0.73604
   D47        2.94702   0.00000  -0.00430  -0.00275  -0.00705   2.93997
   D48       -0.25182   0.00002  -0.00072   0.00284   0.00211  -0.24971
   D49        2.88346   0.00002  -0.01523  -0.00310  -0.01833   2.86513
   D50       -0.31539   0.00003  -0.01166   0.00249  -0.00916  -0.32455
   D51        2.06040   0.00000  -0.00879  -0.00319  -0.01200   2.04839
   D52       -1.13845   0.00001  -0.00522   0.00240  -0.00284  -1.14129
   D53        1.15404  -0.00003   0.00138  -0.00367  -0.00227   1.15177
   D54       -2.04480  -0.00001   0.00496   0.00192   0.00689  -2.03791
   D55        1.01195  -0.00002   0.00075  -0.00418  -0.00342   1.00853
   D56       -2.18689   0.00000   0.00432   0.00141   0.00574  -2.18116
   D57        2.02463   0.00001  -0.00495  -0.00397  -0.00893   2.01570
   D58       -1.17422   0.00003  -0.00138   0.00162   0.00023  -1.17399
   D59        1.82791   0.00000  -0.00322  -0.00430  -0.00753   1.82037
   D60       -1.37094   0.00002   0.00035   0.00129   0.00163  -1.36931
   D61       -2.26713  -0.00004  -0.00861  -0.00339  -0.01200  -2.27913
   D62        0.81721  -0.00003  -0.00503   0.00220  -0.00284   0.81437
   D63       -2.40635  -0.00001  -0.00747  -0.00298  -0.01045  -2.41680
   D64        0.67799   0.00001  -0.00390   0.00261  -0.00129   0.67671
   D65       -2.80905   0.00002  -0.00745  -0.00254  -0.00998  -2.81904
   D66        0.27529   0.00003  -0.00388   0.00305  -0.00082   0.27447
   D67       -2.98814   0.00002  -0.00766  -0.00305  -0.01069  -2.99884
   D68        0.09620   0.00003  -0.00409   0.00254  -0.00153   0.09467
   D69       -2.13386   0.00002  -0.00648  -0.00272  -0.00921  -2.14307
   D70        0.95048   0.00004  -0.00291   0.00287  -0.00005   0.95043
   D71       -0.15724   0.00003  -0.00898  -0.00308  -0.01201  -0.16926
   D72        2.92710   0.00005  -0.00540   0.00251  -0.00285   2.92425
   D73       -0.55376  -0.00002  -0.00933  -0.00306  -0.01239  -0.56615
   D74        2.53058   0.00000  -0.00576   0.00253  -0.00323   2.52736
   D75       -0.70978  -0.00002  -0.01933  -0.00249  -0.02183  -0.73161
   D76        2.37456  -0.00001  -0.01576   0.00310  -0.01266   2.36190
   D77       -1.04918   0.00005  -0.01868  -0.00214  -0.02084  -1.07002
   D78        2.03516   0.00007  -0.01510   0.00345  -0.01168   2.02348
   D79       -0.84678   0.00002  -0.00141  -0.00328  -0.00471  -0.85148
   D80        2.23757   0.00004   0.00216   0.00231   0.00446   2.24202
   D81       -1.14913  -0.00004  -0.00122  -0.00329  -0.00456  -1.15370
   D82        1.93521  -0.00002   0.00235   0.00230   0.00460   1.93981
   D83       -1.53461   0.00001   0.00064  -0.00209  -0.00143  -1.53605
   D84       -2.61121   0.00000   0.00105  -0.00186  -0.00081  -2.61202
   D85       -2.95206   0.00002   0.00388  -0.00053   0.00334  -2.94872
   D86        0.74087   0.00000  -0.00374  -0.00147  -0.00521   0.73567
   D87        0.31553   0.00000  -0.00279  -0.00174  -0.00453   0.31101
   D88       -0.05685   0.00000  -0.00321  -0.00152  -0.00472  -0.06158
   D89       -0.39864   0.00000  -0.00129  -0.00192  -0.00321  -0.40184
   D90        0.18163   0.00001  -0.00068  -0.00225  -0.00293   0.17870
   D91       -0.05688  -0.00001  -0.00018  -0.00249  -0.00267  -0.05955
   D92        2.41020  -0.00005  -0.00426  -0.00163  -0.00589   2.40432
   D93        2.05964  -0.00002  -0.00376  -0.00161  -0.00535   2.05428
   D94        1.66687   0.00000  -0.00401  -0.00139  -0.00537   1.66149
   D95        1.37798   0.00000  -0.00377  -0.00131  -0.00504   1.37293
   D96        2.05813   0.00001  -0.00244  -0.00110  -0.00353   2.05460
   D97       -1.89283   0.00000  -0.01533  -0.00112  -0.01650  -1.90933
   D98       -2.43722  -0.00002  -0.00701  -0.00136  -0.00837  -2.44560
   D99       -2.64163  -0.00002  -0.01349  -0.00089  -0.01441  -2.65604
   D100      -2.97153   0.00005  -0.01127  -0.00023  -0.01151  -2.98304
   D101      -2.92227   0.00001   0.00870  -0.00129   0.00747  -2.91480
   D102       2.83770  -0.00009   0.00636   0.00003   0.00628   2.84398
   D103      -2.92174   0.00004   0.00751  -0.00296   0.00455  -2.91718
   D104       1.17617   0.00004   0.00736  -0.00268   0.00468   1.18085
   D105       2.78778   0.00004   0.00953  -0.00244   0.00710   2.79488
   D106       0.60250   0.00003   0.00938  -0.00216   0.00723   0.60973
   D107       2.28339  -0.00001   0.01425  -0.00227   0.01196   2.29535
   D108       0.09811  -0.00001   0.01410  -0.00199   0.01209   0.11020
   D109       1.73034   0.00000   0.01115  -0.00309   0.00805   1.73839
   D110      -0.45494   0.00000   0.01100  -0.00281   0.00817  -0.44676
   D111       2.57315   0.00001   0.00690  -0.00213   0.00477   2.57792
   D112       0.38787   0.00000   0.00676  -0.00185   0.00490   0.39277
   D113       2.23765   0.00000   0.00640  -0.00251   0.00388   2.24153
   D114       0.05237  -0.00001   0.00625  -0.00223   0.00401   0.05637
   D115      -1.61102  -0.00001  -0.00018  -0.00095  -0.00113  -1.61216
   D116       2.48688  -0.00001  -0.00033  -0.00068  -0.00101   2.48588
   D117      -1.77203   0.00001  -0.00048  -0.00089  -0.00137  -1.77340
   D118       2.32588   0.00001  -0.00063  -0.00061  -0.00124   2.32464
   D119      -2.73432  -0.00002  -0.00029  -0.00046  -0.00074  -2.73506
   D120       1.36359  -0.00002  -0.00044  -0.00018  -0.00062   1.36297
   D121      -2.69873  -0.00001  -0.00051  -0.00047  -0.00099  -2.69972
   D122       1.39917  -0.00001  -0.00066  -0.00019  -0.00086   1.39831
   D123       1.31185   0.00002   0.00746  -0.00176   0.00569   1.31754
   D124      -0.87343   0.00001   0.00731  -0.00149   0.00582  -0.86762
   D125       1.28588   0.00000   0.00534  -0.00253   0.00279   1.28867
   D126      -0.89940   0.00000   0.00519  -0.00226   0.00292  -0.89648
   D127       1.64277  -0.00002   0.00467  -0.00316   0.00149   1.64426
   D128      -0.54251  -0.00002   0.00452  -0.00289   0.00162  -0.54089
   D129       1.77240  -0.00002   0.00354  -0.00247   0.00104   1.77344
   D130      -0.41288  -0.00002   0.00339  -0.00219   0.00117  -0.41171
   D131       0.88776  -0.00001   0.00429  -0.00269   0.00160   0.88936
   D132      -1.29752  -0.00001   0.00414  -0.00241   0.00173  -1.29580
   D133      -0.96351  -0.00003   0.00649  -0.00229   0.00419  -0.95932
   D134       3.13439  -0.00004   0.00634  -0.00201   0.00432   3.13871
   D135      -0.53998   0.00002   0.00996  -0.00221   0.00777  -0.53221
   D136      -2.72526   0.00002   0.00981  -0.00193   0.00789  -2.71736
   D137      -0.25987   0.00004   0.02262  -0.00261   0.02003  -0.23984
   D138      -2.44515   0.00004   0.02247  -0.00233   0.02015  -2.42499
   D139       0.14997  -0.00004   0.02050  -0.00196   0.01856   0.16854
   D140      -2.03530  -0.00005   0.02035  -0.00169   0.01869  -2.01661
   D141      -0.31289  -0.00003   0.00283  -0.00190   0.00095  -0.31195
   D142      -2.49817  -0.00003   0.00268  -0.00163   0.00107  -2.49710
   D143      -0.06154   0.00003   0.00224  -0.00148   0.00079  -0.06075
   D144      -2.24682   0.00003   0.00209  -0.00120   0.00092  -2.24590
   D145      -2.48023   0.00001   0.00097  -0.00145  -0.00049  -2.48072
   D146      -2.73093   0.00001   0.00117  -0.00089   0.00028  -2.73065
   D147      -2.40081   0.00003  -0.00459  -0.00118  -0.00580  -2.40662
   D148       2.99259  -0.00001   0.00350  -0.00160   0.00190   2.99449
   D149       2.60532  -0.00002   0.00606  -0.00224   0.00381   2.60913
   D150       1.51768  -0.00001  -0.00021  -0.00038  -0.00059   1.51709
   D151       2.61919  -0.00003  -0.00049  -0.00046  -0.00095   2.61824
   D152       2.99262   0.00000  -0.00052  -0.00031  -0.00083   2.99180
   D153       1.15949   0.00004   0.01220  -0.00172   0.01046   1.16995
   D154       1.23305   0.00000   0.00632  -0.00214   0.00417   1.23722
   D155       1.62842  -0.00002   0.00432  -0.00261   0.00170   1.63012
   D156       1.71086  -0.00003   0.00217  -0.00161   0.00056   1.71142
   D157       0.88897  -0.00002   0.00338  -0.00214   0.00124   0.89021
   D158      -0.99274  -0.00007  -0.00320  -0.00157  -0.00478  -0.99752
   D159      -0.67173   0.00003  -0.00052  -0.00178  -0.00227  -0.67400
   D160      -0.72089   0.00001   0.00761  -0.00215   0.00547  -0.71542
   D161      -0.41326  -0.00007   0.00990  -0.00333   0.00656  -0.40670
   D162      -0.28913   0.00000  -0.00320  -0.00187  -0.00504  -0.29417
   D163      -0.01139   0.00004  -0.00207  -0.00216  -0.00419  -0.01558
   D164      -1.29334   0.00003   0.00212  -0.00280  -0.00070  -1.29404
   D165       1.65351   0.00003   0.00494  -0.00155   0.00338   1.65689
   D166      -1.66374   0.00002   0.00186  -0.00229  -0.00043  -1.66418
   D167       1.28311   0.00002   0.00468  -0.00104   0.00364   1.28675
   D168      -1.74081   0.00000   0.00149  -0.00233  -0.00084  -1.74165
   D169       1.20604   0.00000   0.00432  -0.00108   0.00324   1.20928
   D170      -2.00451   0.00001   0.00636  -0.00073   0.00564  -1.99887
   D171       0.94234   0.00001   0.00919   0.00052   0.00971   0.95206
   D172      -2.01319   0.00000   0.00139  -0.00264  -0.00126  -2.01446
   D173       0.93366   0.00000   0.00421  -0.00139   0.00281   0.93647
   D174      -2.31503  -0.00002   0.00137  -0.00292  -0.00156  -2.31659
   D175       0.63182  -0.00002   0.00419  -0.00166   0.00252   0.63434
   D176       1.98202  -0.00001  -0.00294  -0.00101  -0.00396   1.97806
   D177      -1.35432  -0.00001  -0.00012   0.00024   0.00012  -1.35419
   D178       0.83620  -0.00002  -0.00316  -0.00168  -0.00485   0.83135
   D179      -2.50014  -0.00002  -0.00034  -0.00043  -0.00077  -2.50091
   D180       0.37244   0.00000  -0.00333  -0.00178  -0.00512   0.36732
   D181      -2.96389   0.00000  -0.00051  -0.00053  -0.00104  -2.96493
   D182      -3.11627  -0.00002   0.00334  -0.00237   0.00096  -3.11531
   D183      -0.16942  -0.00002   0.00616  -0.00112   0.00503  -0.16438
   D184       2.90510  -0.00002   0.00133  -0.00310  -0.00177   2.90333
   D185      -0.43123  -0.00002   0.00415  -0.00185   0.00231  -0.42892
   D186       3.06352  -0.00002  -0.00098  -0.00358  -0.00455   3.05897
   D187      -0.27281  -0.00002   0.00184  -0.00233  -0.00048  -0.27329
   D188       2.97625  -0.00003  -0.00301  -0.00247  -0.00547   2.97078
   D189      -0.36008  -0.00003  -0.00019  -0.00122  -0.00139  -0.36147
   D190       2.45851   0.00000   0.00168  -0.00300  -0.00132   2.45719
   D191      -0.87782   0.00000   0.00450  -0.00175   0.00275  -0.87506
   D192       0.34505  -0.00008  -0.01339  -0.00253  -0.01591   0.32913
   D193      -2.99129  -0.00008  -0.01056  -0.00128  -0.01183  -3.00312
   D194       0.64283   0.00005  -0.00596  -0.00332  -0.00923   0.63359
   D195      -2.69351   0.00005  -0.00313  -0.00207  -0.00516  -2.69866
   D196       0.42898   0.00003   0.00233  -0.00459  -0.00234   0.42664
   D197      -2.90735   0.00003   0.00515  -0.00334   0.00173  -2.90562
   D198       1.10613   0.00000  -0.00456  -0.00324  -0.00776   1.09837
   D199      -2.23020   0.00000  -0.00174  -0.00199  -0.00369  -2.23389
   D200       1.43483   0.00005  -0.00235  -0.00298  -0.00530   1.42953
   D201      -1.90150   0.00005   0.00047  -0.00173  -0.00122  -1.90272
   D202       1.61645   0.00001  -0.00078  -0.00344  -0.00422   1.61222
   D203      -0.59720  -0.00001  -0.00115  -0.00207  -0.00322  -0.60042
   D204       1.68946   0.00000  -0.00207  -0.00386  -0.00594   1.68352
   D205      -0.52418  -0.00001  -0.00244  -0.00248  -0.00494  -0.52911
   D206       1.36913  -0.00003  -0.00228  -0.00342  -0.00571   1.36343
   D207      -0.84451  -0.00004  -0.00265  -0.00205  -0.00470  -0.84921
   D208       1.20865  -0.00002  -0.00585  -0.00535  -0.01119   1.19746
   D209      -1.00499  -0.00004  -0.00622  -0.00398  -0.01018  -1.01517
   D210       2.12089   0.00000  -0.00256  -0.00336  -0.00592   2.11497
   D211      -0.09276  -0.00001  -0.00292  -0.00198  -0.00491  -0.09766
   D212       2.23980  -0.00001  -0.00423  -0.00336  -0.00759   2.23221
   D213       0.02616  -0.00002  -0.00460  -0.00198  -0.00658   0.01957
   D214      -2.22015   0.00000  -0.00465  -0.00398  -0.00862  -2.22877
   D215       1.84940  -0.00001  -0.00501  -0.00260  -0.00762   1.84178
   D216      -2.38030   0.00000  -0.00794  -0.00358  -0.01152  -2.39182
   D217       1.68924  -0.00001  -0.00831  -0.00221  -0.01051   1.67873
   D218      -1.98184  -0.00003  -0.01274  -0.00301  -0.01574  -1.99758
   D219       2.08770  -0.00004  -0.01311  -0.00164  -0.01473   2.07297
   D220      -2.07051  -0.00003  -0.02528  -0.00161  -0.02691  -2.09742
   D221       1.99903  -0.00005  -0.02565  -0.00024  -0.02590   1.97313
   D222      -2.87708   0.00002  -0.00632  -0.00358  -0.00991  -2.88699
   D223       1.19246   0.00001  -0.00669  -0.00221  -0.00890   1.18356
   D224       3.06839   0.00001  -0.00559  -0.00360  -0.00920   3.05919
   D225       0.85475   0.00000  -0.00596  -0.00222  -0.00820   0.84655
   D226      -2.71499   0.00003   0.00039  -0.00165  -0.00128  -2.71627
   D227       1.35455   0.00001   0.00002  -0.00027  -0.00027   1.35428
   D228      -2.66236   0.00003   0.00040  -0.00334  -0.00294  -2.66530
   D229       1.40718   0.00002   0.00003  -0.00197  -0.00193   1.40524
   D230      -1.56902   0.00008   0.00080  -0.00239  -0.00160  -1.57062
   D231       2.50052   0.00006   0.00043  -0.00102  -0.00059   2.49992
   D232      -0.08490   0.00008   0.01664  -0.00367   0.01305  -0.07184
   D233      -2.29854   0.00007   0.01627  -0.00230   0.01406  -2.28448
   D234      -0.20706  -0.00004   0.00767  -0.00312   0.00454  -0.20252
   D235      -2.42071  -0.00005   0.00730  -0.00175   0.00555  -2.41516
   D236       0.08271   0.00001   0.00022  -0.00295  -0.00272   0.07999
   D237      -2.13093   0.00000  -0.00015  -0.00157  -0.00171  -2.13264
   D238      -0.02014   0.00005  -0.00085  -0.00139  -0.00224  -0.02238
   D239      -2.23378   0.00004  -0.00122  -0.00002  -0.00124  -2.23502
   D240      -0.59508  -0.00003   0.00448  -0.00274   0.00172  -0.59336
   D241      -2.80872  -0.00004   0.00411  -0.00136   0.00273  -2.80599
   D242      -0.78325  -0.00002   0.00241  -0.00190   0.00048  -0.78278
   D243      -2.99690  -0.00004   0.00204  -0.00053   0.00148  -2.99541
   D244      -2.93725   0.00002   0.00409   0.00209   0.00618  -2.93108
   D245      -0.01220   0.00002   0.00164   0.00032   0.00197  -0.01023
   D246      -3.12498   0.00002   0.00260   0.00207   0.00467  -3.12032
   D247      -0.19993   0.00002   0.00016   0.00030   0.00045  -0.19947
   D248       2.77388  -0.00001   0.00272   0.00244   0.00516   2.77904
   D249      -0.58425  -0.00001   0.00027   0.00067   0.00095  -0.58330
   D250       2.53871   0.00001   0.00142   0.00167   0.00309   2.54180
   D251      -0.81942   0.00001  -0.00103  -0.00010  -0.00112  -0.82054
   D252      -2.89479   0.00002   0.00088   0.00258   0.00348  -2.89131
   D253       0.03027   0.00002  -0.00157   0.00082  -0.00073   0.02953
   D254      -3.06727   0.00002  -0.00060   0.00234   0.00177  -3.06550
   D255      -0.14221   0.00002  -0.00304   0.00058  -0.00245  -0.14466
   D256      -0.64920   0.00000  -0.00158   0.00170   0.00013  -0.64907
   D257       2.27586   0.00000  -0.00402  -0.00006  -0.00409   2.27177
   D258      -0.89335   0.00000  -0.00328   0.00234  -0.00093  -0.89428
   D259       2.03170   0.00000  -0.00572   0.00057  -0.00514   2.02656
   D260      -0.72692   0.00000  -0.00486   0.00320  -0.00165  -0.72856
   D261       2.19814   0.00000  -0.00730   0.00144  -0.00586   2.19228
   D262      -0.92812   0.00002  -0.00610   0.00391  -0.00219  -0.93032
   D263       1.99694   0.00002  -0.00855   0.00214  -0.00641   1.99053
   D264      -1.30156   0.00000  -0.00318   0.00240  -0.00077  -1.30234
   D265       1.62350   0.00000  -0.00562   0.00063  -0.00499   1.61851
   D266      -1.54045  -0.00002  -0.00359   0.00280  -0.00080  -1.54125
   D267       1.38461  -0.00002  -0.00604   0.00103  -0.00501   1.37960
   D268       1.97399   0.00001   0.00296   0.00393   0.00687   1.98086
   D269      -1.38414   0.00001   0.00051   0.00216   0.00266  -1.38148
   D270       0.85300   0.00003   0.00300   0.00339   0.00638   0.85938
   D271      -2.50513   0.00003   0.00056   0.00162   0.00217  -2.50296
   D272       0.92823   0.00011   0.03743   0.00068   0.03801   0.96624
   D273      -2.42990   0.00011   0.03498  -0.00109   0.03380  -2.39610
   D274       1.11999  -0.00006   0.01485   0.00219   0.01705   1.13704
   D275      -2.23813  -0.00006   0.01241   0.00042   0.01283  -2.22530
   D276       1.58738   0.00000   0.00582   0.00236   0.00824   1.59562
   D277      -1.77075   0.00000   0.00338   0.00059   0.00402  -1.76672
   D278       1.57177   0.00001   0.00452   0.00403   0.00856   1.58033
   D279      -1.78636   0.00001   0.00208   0.00226   0.00435  -1.78201
   D280       0.81760  -0.00005   0.00488   0.00310   0.00797   0.82558
   D281      -2.54052  -0.00005   0.00243   0.00134   0.00376  -2.53676
   D282       0.79040  -0.00002   0.00248   0.00425   0.00672   0.79712
   D283      -2.56773  -0.00002   0.00004   0.00248   0.00251  -2.56522
   D284       1.58916  -0.00003  -0.00260  -0.00465  -0.00725   1.58191
   D285      -2.62679  -0.00003  -0.00361  -0.00527  -0.00888  -2.63567
   D286       1.64986  -0.00001  -0.00329  -0.00465  -0.00795   1.64191
   D287      -2.56609  -0.00001  -0.00431  -0.00527  -0.00958  -2.57568
   D288       1.33924  -0.00003  -0.00368  -0.00394  -0.00762   1.33161
   D289      -2.87671  -0.00003  -0.00470  -0.00455  -0.00926  -2.88597
   D290       1.25328  -0.00001  -0.00665  -0.00533  -0.01197   1.24130
   D291      -2.96268  -0.00002  -0.00767  -0.00594  -0.01361  -2.97628
   D292       2.04482   0.00000  -0.00337  -0.00397  -0.00733   2.03749
   D293      -2.17113   0.00000  -0.00438  -0.00458  -0.00897  -2.18010
   D294       2.02699   0.00001  -0.00430  -0.00399  -0.00829   2.01870
   D295      -2.18896   0.00001  -0.00532  -0.00461  -0.00992  -2.19888
   D296      -2.28868  -0.00001  -0.00608  -0.00466  -0.01074  -2.29942
   D297      -0.22145  -0.00001  -0.00710  -0.00528  -0.01237  -0.23382
   D298      -2.25982  -0.00001  -0.00793  -0.00385  -0.01177  -2.27160
   D299      -0.19259  -0.00001  -0.00894  -0.00447  -0.01341  -0.20600
   D300      -1.87075   0.00000  -0.00834  -0.00344  -0.01176  -1.88252
   D301       0.19648  -0.00001  -0.00936  -0.00405  -0.01340   0.18308
   D302      -1.80586   0.00001  -0.00979  -0.00273  -0.01250  -1.81836
   D303       0.26137   0.00001  -0.01080  -0.00334  -0.01413   0.24724
   D304      -2.60376  -0.00002  -0.00887  -0.00340  -0.01227  -2.61604
   D305      -0.53653  -0.00002  -0.00989  -0.00402  -0.01391  -0.55044
   D306      -2.72666  -0.00002  -0.01051  -0.00287  -0.01340  -2.74006
   D307      -0.65943  -0.00003  -0.01153  -0.00349  -0.01503  -0.67446
   D308       1.52320   0.00007  -0.00043  -0.00305  -0.00348   1.51972
   D309      -2.69275   0.00007  -0.00145  -0.00367  -0.00512  -2.69787
   D310       2.62381   0.00003  -0.00065  -0.00294  -0.00362   2.62019
   D311      -1.59215   0.00002  -0.00167  -0.00356  -0.00525  -1.59740
   D312       3.00549   0.00003  -0.00060  -0.00417  -0.00479   3.00069
   D313      -1.21046   0.00002  -0.00162  -0.00478  -0.00643  -1.21689
   D314      -0.47901   0.00007   0.01685  -0.00429   0.01258  -0.46643
   D315       1.58822   0.00006   0.01583  -0.00491   0.01094   1.59917
   D316      -0.31188  -0.00004   0.00870  -0.00377   0.00494  -0.30693
   D317       1.75536  -0.00004   0.00769  -0.00438   0.00331   1.75867
   D318       0.11706   0.00001   0.00638  -0.00387   0.00254   0.11961
   D319       2.18430   0.00001   0.00537  -0.00449   0.00091   2.18521
   D320       0.25040  -0.00001   0.00541  -0.00266   0.00276   0.25315
   D321       2.31763  -0.00002   0.00440  -0.00328   0.00112   2.31875
   D322      -0.55269  -0.00006   0.00128  -0.00324  -0.00196  -0.55464
   D323       1.51455  -0.00006   0.00026  -0.00386  -0.00359   1.51096
   D324      -0.59420  -0.00004  -0.00107  -0.00193  -0.00301  -0.59721
   D325       1.47304  -0.00004  -0.00209  -0.00254  -0.00465   1.46839
   D326       0.11240  -0.00002  -0.01646   0.00121  -0.01521   0.09719
   D327       2.28472  -0.00001  -0.01517   0.00042  -0.01471   2.27001
   D328       0.41578  -0.00002  -0.01361   0.00110  -0.01249   0.40329
   D329       2.58809  -0.00001  -0.01232   0.00031  -0.01199   2.57610
   D330       0.78425   0.00000  -0.01624   0.00098  -0.01527   0.76898
   D331       2.95656   0.00001  -0.01495   0.00020  -0.01477   2.94179
   D332       1.06480  -0.00002  -0.01745   0.00113  -0.01635   1.04845
   D333      -3.04607   0.00000  -0.01616   0.00034  -0.01585  -3.06192
   D334       0.34733  -0.00001  -0.00608   0.00054  -0.00546   0.34187
   D335       2.51965   0.00000  -0.00478  -0.00024  -0.00496   2.51468
   D336       0.74367  -0.00003  -0.01033   0.00132  -0.00904   0.73464
   D337       2.91599  -0.00002  -0.00903   0.00054  -0.00854   2.90745
   D338      -2.30791   0.00001  -0.01266   0.00106  -0.01160  -2.31951
   D339      -0.13559   0.00002  -0.01137   0.00028  -0.01110  -0.14669
   D340      -1.93410   0.00001  -0.00995   0.00101  -0.00898  -1.94308
   D341       0.23821   0.00002  -0.00866   0.00022  -0.00848   0.22973
   D342      -1.88785  -0.00001  -0.01105   0.00056  -0.01053  -1.89838
   D343       0.28447   0.00000  -0.00975  -0.00023  -0.01004   0.27443
   D344      -1.58734  -0.00003  -0.01377   0.00054  -0.01330  -1.60064
   D345       0.58497  -0.00002  -0.01248  -0.00025  -0.01280   0.57217
   D346      -1.56683   0.00003  -0.00648   0.00112  -0.00543  -1.57226
   D347       0.60549   0.00004  -0.00519   0.00033  -0.00494   0.60056
   D348      -1.26771   0.00005  -0.00523   0.00088  -0.00442  -1.27213
   D349       0.90461   0.00006  -0.00394   0.00009  -0.00392   0.90069
   D350       1.88320  -0.00001  -0.02308   0.00093  -0.02223   1.86097
   D351      -2.22767   0.00000  -0.02178   0.00014  -0.02173  -2.24940
   D352       2.32094  -0.00002  -0.02789   0.00164  -0.02629   2.29465
   D353      -1.78993  -0.00001  -0.02660   0.00085  -0.02579  -1.81572
   D354       2.58530  -0.00009  -0.04489   0.00268  -0.04210   2.54320
   D355      -1.52556  -0.00008  -0.04360   0.00189  -0.04161  -1.56717
   D356      -3.06971  -0.00004  -0.03879   0.00105  -0.03753  -3.10724
   D357      -0.89739  -0.00003  -0.03749   0.00026  -0.03704  -0.93443
   D358       2.63760  -0.00003  -0.02088   0.00076  -0.02010   2.61751
   D359      -1.47326  -0.00002  -0.01959  -0.00003  -0.01960  -1.49287
   D360       1.63224   0.00010   0.00183  -0.00019   0.00171   1.63395
   D361      -2.47863   0.00011   0.00313  -0.00098   0.00220  -2.47642
   D362       1.81510   0.00002  -0.00450  -0.00148  -0.00592   1.80918
   D363      -2.29577   0.00003  -0.00321  -0.00227  -0.00543  -2.30119
   D364       2.74605   0.00014   0.00228  -0.00078   0.00152   2.74757
   D365      -1.36482   0.00016   0.00357  -0.00157   0.00202  -1.36280
   D366       2.75074   0.00006  -0.00300  -0.00158  -0.00456   2.74618
   D367      -1.36013   0.00007  -0.00171  -0.00237  -0.00407  -1.36420
   D368       0.07158  -0.00005  -0.01178   0.00412  -0.00767   0.06391
   D369      -2.46927  -0.00004  -0.04117   0.02655  -0.01463  -2.48391
   D370       0.47054  -0.00005  -0.01146   0.00381  -0.00765   0.46289
   D371      -2.07031  -0.00003  -0.04084   0.02625  -0.01460  -2.08492
   D372       0.68666  -0.00003  -0.01569   0.00418  -0.01150   0.67516
   D373      -1.85419  -0.00002  -0.04508   0.02661  -0.01846  -1.87265
   D374       0.96026  -0.00004  -0.01804   0.00372  -0.01430   0.94596
   D375      -1.58059  -0.00002  -0.04742   0.02615  -0.02126  -1.60185
   D376       0.70706  -0.00001  -0.00587   0.00353  -0.00231   0.70474
   D377      -1.83380   0.00000  -0.03526   0.02597  -0.00927  -1.84307
   D378       1.04749   0.00000  -0.00714   0.00396  -0.00316   1.04433
   D379      -1.49337   0.00002  -0.03652   0.02639  -0.01011  -1.50348
   D380      -2.73472  -0.00005  -0.02054   0.00392  -0.01662  -2.75134
   D381       1.00762  -0.00003  -0.04993   0.02635  -0.02358   0.98403
   D382      -2.18526  -0.00004  -0.01634   0.00469  -0.01158  -2.19683
   D383       1.55708  -0.00003  -0.04572   0.02713  -0.01853   1.53854
   D384      -1.95966  -0.00002  -0.00815   0.00380  -0.00433  -1.96399
   D385       1.78267   0.00000  -0.03754   0.02623  -0.01129   1.77138
   D386      -1.63336  -0.00003  -0.00522   0.00361  -0.00159  -1.63495
   D387       2.10897  -0.00001  -0.03460   0.02605  -0.00855   2.10042
   D388      -1.67483  -0.00005  -0.00967   0.00569  -0.00389  -1.67872
   D389       2.06750  -0.00003  -0.03905   0.02812  -0.01085   2.05665
   D390      -1.12014   0.00003   0.00759   0.00387   0.01133  -1.10881
   D391       2.62219   0.00004  -0.02179   0.02631   0.00437   2.62657
   D392       1.80108   0.00001  -0.00850   0.00370  -0.00479   1.79629
   D393      -0.73977   0.00002  -0.03789   0.02614  -0.01175  -0.75152
   D394       2.10003   0.00000  -0.00839   0.00416  -0.00424   2.09579
   D395      -0.44082   0.00002  -0.03778   0.02659  -0.01120  -0.45202
   D396       2.04695   0.00000  -0.00977   0.00461  -0.00519   2.04176
   D397      -0.49390   0.00002  -0.03916   0.02705  -0.01215  -0.50606
   D398       2.24751   0.00000  -0.01243   0.00332  -0.00916   2.23835
   D399      -0.29334   0.00002  -0.04181   0.02576  -0.01612  -0.30946
   D400       2.49985  -0.00002  -0.00772   0.00381  -0.00392   2.49593
   D401      -0.04100   0.00000  -0.03711   0.02624  -0.01088  -0.05188
   D402      -1.55699   0.00010   0.01147   0.00283   0.01436  -1.54263
   D403       2.18535   0.00012  -0.01791   0.02527   0.00740   2.19274
   D404      -2.65291   0.00005   0.01006   0.00287   0.01291  -2.64000
   D405       1.08942   0.00006  -0.01933   0.02530   0.00596   1.09538
   D406      -2.99820  -0.00003   0.00608   0.00211   0.00819  -2.99000
   D407       0.74414  -0.00001  -0.02330   0.02455   0.00123   0.74537
   D408       1.94404  -0.00008  -0.02114   0.00277  -0.01837   1.92567
   D409       2.44254  -0.00006  -0.02328   0.00217  -0.02114   2.42140
   D410       2.66737  -0.00002  -0.02222   0.00217  -0.02005   2.64732
   D411       2.89986  -0.00002  -0.02400   0.00118  -0.02280   2.87706
   D412       2.87726  -0.00001  -0.02763   0.00174  -0.02595   2.85131
   D413      -2.92022   0.00004  -0.02659   0.00178  -0.02481  -2.94503
   D414      -0.73539  -0.00001  -0.01732   0.00173  -0.01560  -0.75100
   D415      -0.35477  -0.00001  -0.01710   0.00215  -0.01496  -0.36974
   D416      -0.04499   0.00000  -0.01744   0.00185  -0.01560  -0.06059
   D417       0.26353  -0.00001  -0.01735   0.00204  -0.01531   0.24822
   D418      -0.22039  -0.00002  -0.01636   0.00287  -0.01352  -0.23391
   D419       0.08837   0.00000  -0.01394   0.00328  -0.01069   0.07769
   D420      -2.54608   0.00004  -0.01674   0.00193  -0.01479  -2.56087
   D421      -2.16416   0.00002  -0.01645   0.00219  -0.01424  -2.17840
   D422      -1.92256   0.00002  -0.01719   0.00210  -0.01508  -1.93764
   D423      -1.61030   0.00003  -0.01645   0.00135  -0.01511  -1.62541
   D424      -1.94698  -0.00003  -0.01588   0.00192  -0.01395  -1.96092
   D425       1.30216   0.00014   0.00675   0.00042   0.00722   1.30938
   D426       2.46629   0.00006   0.00459   0.00091   0.00553   2.47182
   D427       2.94641  -0.00007   0.00022   0.00023   0.00049   2.94690
   D428      -3.07716   0.00025   0.00740  -0.00581   0.00159  -3.07557
   D429       0.02033   0.00023   0.00499   0.00528   0.01028   0.03061
   D430       0.03728   0.00001   0.00576  -0.00713  -0.00137   0.03591
   D431       3.13477   0.00000   0.00335   0.00396   0.00731  -3.14110
   D432      -0.07505  -0.00005  -0.01361   0.00175  -0.01185  -0.08689
   D433       2.02122   0.00004  -0.01093   0.00317  -0.00775   2.01347
   D434      -2.17233  -0.00012  -0.01355   0.00227  -0.01126  -2.18359
   D435       3.10844  -0.00004  -0.01137  -0.00877  -0.02014   3.08830
   D436      -1.07848   0.00005  -0.00869  -0.00736  -0.01604  -1.09452
   D437       1.01115  -0.00010  -0.01131  -0.00826  -0.01955   0.99160
   D438      -2.37257  -0.00001   0.00549  -0.01059  -0.00511  -2.37768
   D439      -0.28300   0.00002   0.00609  -0.01053  -0.00444  -0.28744
   D440       1.82470  -0.00001   0.00599  -0.01092  -0.00493   1.81977
   D441       0.72707  -0.00002   0.00324  -0.00003   0.00320   0.73027
   D442       2.81665   0.00001   0.00384   0.00004   0.00388   2.82052
   D443      -1.35885  -0.00002   0.00374  -0.00035   0.00339  -1.35546
   D444       0.00115  -0.00001  -0.00043   0.00046   0.00003   0.00118
   D445       3.11628  -0.00002  -0.00045  -0.00223  -0.00268   3.11360
   D446      -3.11882   0.00002  -0.00026   0.00049   0.00023  -3.11859
   D447      -0.00369   0.00001  -0.00029  -0.00220  -0.00248  -0.00617
   D448       2.42515  -0.00003   0.00012  -0.00333  -0.00321   2.42195
   D449      -1.77429  -0.00002   0.00058  -0.00341  -0.00282  -1.77711
   D450       0.33405  -0.00004   0.00038  -0.00333  -0.00294   0.33111
   D451      -0.69123  -0.00002   0.00015  -0.00078  -0.00063  -0.69187
   D452       1.39251   0.00000   0.00061  -0.00086  -0.00025   1.39226
   D453      -2.78234  -0.00003   0.00041  -0.00078  -0.00036  -2.78270
   D454       2.06530  -0.00002  -0.00062   0.00150   0.00087   2.06617
   D455      -2.13345  -0.00002  -0.00044   0.00152   0.00109  -2.13236
   D456      -0.03966  -0.00001  -0.00046   0.00159   0.00112  -0.03853
   D457      -1.10145  -0.00003  -0.00066  -0.00104  -0.00170  -1.10315
   D458       0.98298  -0.00003  -0.00047  -0.00102  -0.00149   0.98150
   D459       3.07678  -0.00003  -0.00050  -0.00096  -0.00145   3.07533
   D460      -3.08653   0.00007   0.00206  -0.00431  -0.00224  -3.08877
   D461      -0.03323   0.00006   0.00240  -0.00198   0.00042  -0.03281
   D462       0.06953   0.00000   0.00061  -0.00329  -0.00269   0.06685
   D463       3.12283  -0.00001   0.00095  -0.00097  -0.00002   3.12281
   D464       1.94240  -0.00003  -0.00055   0.00701   0.00646   1.94886
   D465      -2.25912   0.00002   0.00068   0.00683   0.00749  -2.25162
   D466      -0.16382  -0.00003  -0.00065   0.00648   0.00582  -0.15800
   D467      -1.11454  -0.00001  -0.00083   0.00478   0.00396  -1.11059
   D468       0.96713   0.00004   0.00040   0.00460   0.00498   0.97211
   D469       3.06243  -0.00001  -0.00093   0.00425   0.00331   3.06574
   D470      -1.64424  -0.00001  -0.00238  -0.00819  -0.01057  -1.65481
   D471       0.45913   0.00003  -0.00181  -0.00833  -0.01015   0.44898
   D472       2.55231   0.00002  -0.00220  -0.00772  -0.00992   2.54240
   D473       1.41311  -0.00003  -0.00215  -0.00599  -0.00813   1.40498
   D474      -2.76670   0.00002  -0.00158  -0.00613  -0.00771  -2.77441
   D475      -0.67352   0.00000  -0.00196  -0.00551  -0.00748  -0.68100
   D476       0.00957   0.00004   0.00132  -0.00704  -0.00575   0.00382
   D477      -3.05379  -0.00004  -0.00286  -0.00267  -0.00555  -3.05933
   D478       3.12058   0.00014   0.00267  -0.00766  -0.00498   3.11559
   D479       0.05722   0.00006  -0.00151  -0.00330  -0.00479   0.05244
   D480      -0.35717   0.00011   0.01903   0.00950   0.02847  -0.32870
   D481       1.74770   0.00012   0.01950   0.00991   0.02939   1.77708
   D482      -2.44994   0.00007   0.01994   0.01005   0.03001  -2.41992
   D483       2.71005   0.00020   0.02300   0.00536   0.02827   2.73832
   D484      -1.46828   0.00021   0.02346   0.00577   0.02919  -1.43909
   D485       0.61728   0.00015   0.02391   0.00591   0.02982   0.64709
   D486      -0.09192  -0.00001   0.01129  -0.00127   0.01000  -0.08191
   D487       2.00184   0.00011   0.01213  -0.00030   0.01182   2.01366
   D488      -2.19552   0.00002   0.01098  -0.00028   0.01069  -2.18483
   D489       3.12399  -0.00007   0.00725   0.00287   0.01015   3.13414
   D490      -1.06544   0.00005   0.00809   0.00384   0.01197  -1.05347
   D491       1.02039  -0.00004   0.00693   0.00387   0.01084   1.03122
         Item               Value     Threshold  Converged?
 Maximum Force            0.000532     0.000450     NO 
 RMS     Force            0.000057     0.000300     YES
 Maximum Displacement     0.117327     0.001800     NO 
 RMS     Displacement     0.011469     0.001200     NO 
 Predicted change in Energy=-5.265543D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:34:36 2016, MaxMem=  2952790016 cpu:         7.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833153   -0.597241    1.671182
      2          6           0       -2.068121    1.114044   -1.365589
      3          8           0       -2.615190    0.134920   -1.902433
      4          7           0       -0.778398    1.159943   -0.934633
      5          1           0       -2.617428    2.054821   -1.160511
      6          6           0       -0.240670    2.329553   -0.239108
      7          1           0       -0.994696    3.128664   -0.223224
      8          1           0        0.029576    2.058322    0.794587
      9          1           0        0.662326    2.689806   -0.758643
     10          6           0        0.132982    0.025625   -1.102950
     11          1           0        0.700482   -0.121391   -0.171206
     12          1           0       -0.447511   -0.879394   -1.325006
     13          1           0        0.842934    0.220069   -1.923822
     14          6           0       -1.997519   -4.010032    2.605894
     15          8           0       -2.109883   -3.860464    3.834708
     16          7           0       -2.947148   -3.700745    1.681515
     17          1           0       -1.070100   -4.403095    2.143844
     18          6           0       -4.243931   -3.137746    2.066337
     19          1           0       -4.514184   -2.343705    1.352039
     20          1           0       -5.026834   -3.914117    2.044785
     21          1           0       -4.173167   -2.715671    3.077115
     22          6           0       -2.710351   -3.880495    0.248915
     23          1           0       -3.427502   -4.606536   -0.167944
     24          1           0       -2.842768   -2.917971   -0.272257
     25          1           0       -1.685758   -4.242950    0.086644
     26          6           0        1.541746    0.383559    2.618910
     27          8           0        1.358647    1.398016    3.312913
     28          7           0        1.172130   -0.882252    2.956192
     29          1           0        2.027517    0.431530    1.624426
     30          6           0        1.488250   -2.027145    2.101968
     31          1           0        2.230400   -2.678729    2.593153
     32          1           0        0.576794   -2.618338    1.917250
     33          1           0        1.888848   -1.671446    1.142938
     34          6           0        0.533125   -1.169753    4.242736
     35          1           0        1.282746   -1.487017    4.987788
     36          1           0        0.020839   -0.268252    4.601924
     37          1           0       -0.195568   -1.982270    4.107786
     38          6           0       -4.607484    1.112583    2.911353
     39          8           0       -4.864962    1.693385    1.843099
     40          7           0       -3.528994    1.358870    3.703844
     41          1           0       -5.245191    0.295269    3.304897
     42          6           0       -2.532866    2.377676    3.357738
     43          1           0       -2.607928    2.617384    2.289008
     44          1           0       -2.695948    3.291970    3.951997
     45          1           0       -1.528603    1.985581    3.576596
     46          6           0       -3.251996    0.554970    4.894748
     47          1           0       -4.067303   -0.163652    5.055262
     48          1           0       -2.304210    0.006267    4.761465
     49          1           0       -3.159208    1.207709    5.777670
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.493664   0.000000
     3  O    3.730733   1.243451   0.000000
     4  N    3.315189   1.360594   2.315409   0.000000
     5  H    3.958157   1.108538   2.058269   2.057635   0.000000
     6  C    3.840747   2.466982   3.636126   1.463179   2.563872
     7  H    4.263116   2.552632   3.795820   2.104459   2.159839
     8  H    3.360089   3.155687   4.238890   2.109528   3.290753
     9  H    4.789169   3.210412   4.310198   2.108824   3.364743
    10  C    3.456799   2.469512   2.864187   1.464794   3.418436
    11  H    3.168617   3.258529   3.749203   2.100410   4.089395
    12  H    3.313119   2.569400   2.461928   2.102564   3.653110
    13  H    4.555600   3.095974   3.459239   2.119098   3.990372
    14  C    3.542294   6.483350   6.155255   6.383591   7.166068
    15  O    3.925053   7.196566   7.009509   7.051521   7.758892
    16  N    3.297397   5.765390   5.259962   5.930766   6.427469
    17  H    3.910266   6.614453   6.273217   6.364708   7.417390
    18  C    3.524509   5.881325   5.395765   6.283778   6.326200
    19  H    3.215573   5.032371   4.510138   5.608967   5.409031
    20  H    4.619615   6.757740   6.147460   7.257564   7.190785
    21  H    3.455438   6.231818   5.945507   6.529851   6.567753
    22  C    3.684030   5.288148   4.556415   5.526232   6.101073
    23  H    4.690285   6.000609   5.113678   6.392014   6.783442
    24  H    3.190935   4.248835   3.468344   4.618414   5.056524
    25  H    3.977898   5.563503   4.897552   5.572931   6.487320
    26  C    3.640068   5.425954   6.146908   4.314337   5.863093
    27  O    4.106571   5.806183   6.677322   4.760807   6.020971
    28  N    3.280885   5.758664   6.243771   4.807664   6.319366
    29  H    3.995664   5.116665   5.837931   3.866849   5.653889
    30  C    3.641692   5.876972   6.127641   4.951380   6.645510
    31  H    4.657798   6.966638   7.183777   6.019430   7.745832
    32  H    3.154873   5.630567   5.688512   4.923940   6.443142
    33  H    3.909764   5.450621   5.729189   4.409906   6.284701
    34  C    3.541176   6.590563   7.026889   5.826897   7.036969
    35  H    4.636852   7.639321   8.080825   6.806598   8.096762
    36  H    3.483500   6.471917   7.029784   5.773386   6.750021
    37  H    3.246078   6.561360   6.816142   5.969856   7.065300
    38  C    3.486895   4.973993   5.300716   5.427315   4.629061
    39  O    3.803734   4.295770   4.638889   4.969945   3.768782
    40  N    3.291499   5.281406   5.810631   5.396371   4.997725
    41  H    3.886850   5.707680   5.836001   6.218803   5.471840
    42  C    3.490588   4.911474   5.718927   4.794317   4.530558
    43  H    3.363897   3.988421   4.871433   3.982860   3.495103
    44  H    4.590479   5.780506   6.651905   5.665835   5.260650
    45  H    3.224023   5.047361   5.884333   4.647114   4.861123
    46  C    3.705683   6.395776   6.839856   6.361318   6.270438
    47  H    4.078164   6.845185   7.113880   6.960433   6.757188
    48  H    3.183703   6.230867   6.672391   6.008711   6.274112
    49  H    4.677554   7.226714   7.773726   7.122187   7.010669
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098811   0.000000
     8  H    1.102327   1.797416   0.000000
     9  H    1.102316   1.795826   1.792113   0.000000
    10  C    2.488759   3.416786   2.782661   2.737994   0.000000
    11  H    2.626310   3.665950   2.476696   2.872170   1.100825
    12  H    3.394009   4.192596   3.653829   3.780436   1.097880
    13  H    2.909017   3.837818   3.380899   2.736761   1.102575
    14  C    7.167349   7.744065   6.649427   7.955043   5.880569
    15  O    7.642397   8.158331   6.989395   8.466997   6.671776
    16  N    6.883190   7.353973   6.543270   7.734456   5.579093
    17  H    7.189921   7.895321   6.691763   7.857160   5.621623
    18  C    7.157690   7.420749   6.846848   8.124791   6.261682
    19  H    6.529472   6.694406   6.350933   7.522463   5.765140
    20  H    8.191883   8.426314   7.924665   9.156285   7.214812
    21  H    7.205286   7.426383   6.757513   8.204523   6.597770
    22  C    6.700909   7.231507   6.563117   7.453789   5.016957
    23  H    7.633498   8.108941   7.569557   8.385238   5.916773
    24  H    5.857348   6.322940   5.843972   6.630944   4.267305
    25  H    6.737372   7.410416   6.568834   7.368250   4.789956
    26  C    3.890008   4.695409   2.901662   4.183302   3.995619
    27  O    4.005300   4.586680   2.923080   4.327949   4.783885
    28  N    4.745696   5.557992   3.824257   5.178754   4.287272
    29  H    3.495700   4.452203   2.706816   3.555639   3.345535
    30  C    5.239334   6.176885   4.530785   5.578070   4.040064
    31  H    6.261850   7.215195   5.524320   6.520318   5.037248
    32  H    5.458915   6.330817   4.840555   5.945091   4.038455
    33  H    4.738448   5.763878   4.182035   4.913337   3.317700
    34  C    5.738539   6.383998   4.750133   6.318756   5.492304
    35  H    6.648868   7.324336   5.632299   7.131075   6.380214
    36  H    5.500233   5.987688   4.461932   6.156077   5.713539
    37  H    6.122853   6.746695   5.230139   6.800470   5.593868
    38  C    5.520460   5.190606   5.184346   6.612669   6.306197
    39  O    5.111201   4.616132   5.018870   6.189735   6.036561
    40  N    5.225148   4.997670   4.649347   6.265169   6.188124
    41  H    6.460922   6.208259   6.101900   7.559426   6.958920
    42  C    4.265416   3.969035   3.638384   5.220274   5.704088
    43  H    3.475360   3.029065   3.082575   4.470792   5.072985
    44  H    4.951767   4.511474   4.349667   5.816419   6.650139
    45  H    4.041866   4.003789   3.189480   4.908197   5.338580
    46  C    6.210773   6.157349   5.462609   7.200019   6.907291
    47  H    6.992105   6.938492   6.314660   8.019544   7.456661
    48  H    5.887409   6.025887   5.039207   6.817133   6.350720
    49  H    6.780709   6.662275   5.976872   7.715187   7.718729
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795470   0.000000
    13  H    1.791242   1.797957   0.000000
    14  C    5.487534   5.258840   6.817643   0.000000
    15  O    6.158422   6.186510   7.650525   1.242972   0.000000
    16  N    5.435950   4.821553   6.537274   1.360856   2.315764
    17  H    5.179518   4.983674   6.448197   1.108195   2.057819
    18  C    6.209044   5.569036   7.285087   2.469488   2.864196
    19  H    5.869557   5.084152   6.782545   3.268394   3.774237
    20  H    7.217863   6.444783   8.203385   3.082336   3.422763
    21  H    6.405805   6.052362   7.667412   2.575046   2.478233
    22  C    5.093245   4.074834   5.844762   2.465818   3.635777
    23  H    6.095637   4.910267   6.679510   3.177239   4.279482
    24  H    4.515052   3.316825   5.114622   3.192303   4.276982
    25  H    4.769473   3.852209   5.509518   2.549131   3.791327
    26  C    2.957608   4.594199   4.599073   5.641827   5.729248
    27  O    3.857572   5.473491   5.392301   6.403961   6.320964
    28  N    3.252996   4.577325   5.013782   4.466811   4.518091
    29  H    2.300226   4.067362   3.746733   6.073852   6.358037
    30  C    3.069169   4.099836   4.655468   4.041828   4.394315
    31  H    4.064764   5.075508   5.543568   4.432588   4.666477
    32  H    3.257560   3.819077   4.783431   3.006349   3.526720
    33  H    2.354116   3.489509   3.751904   4.765824   5.294079
    34  C    4.539819   5.660893   6.328825   4.141328   3.793666
    35  H    5.368351   6.573763   7.132876   4.774847   4.297996
    36  H    4.823511   5.976734   6.595427   4.696683   4.246479
    37  H    4.751374   5.549328   6.504542   3.100730   2.695698
    38  C    6.260940   6.262594   7.340474   5.757291   5.641080
    39  O    6.190719   6.014146   6.995744   6.429079   6.511698
    40  N    5.924159   6.308304   7.216734   5.689993   5.410401
    41  H    6.899850   6.770049   8.025611   5.437977   5.232683
    42  C    5.399382   6.073327   6.629191   6.454044   6.270630
    43  H    4.949658   5.473203   5.950084   6.663007   6.678305
    44  H    6.339367   7.092426   7.515685   7.457817   7.177363
    45  H    4.842951   5.779493   6.244663   6.091758   5.880540
    46  C    6.460917   6.971935   7.960748   5.258499   4.682325
    47  H    7.074569   7.370413   8.541971   5.007799   4.357484
    48  H    5.777173   6.424707   7.392110   4.568502   3.980986
    49  H    7.214766   7.883990   8.735305   6.215666   5.528342
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056783   0.000000
    18  C    1.465163   3.417649   0.000000
    19  H    2.098979   4.090203   1.101707   0.000000
    20  H    2.121931   3.988065   1.102794   1.791341   0.000000
    21  H    2.102663   3.653412   1.097646   1.797370   1.797423
    22  C    1.463122   2.560135   2.491299   2.613890   2.931275
    23  H    2.114639   3.308036   2.795695   2.934558   2.816642
    24  H    2.107334   3.344472   2.735065   2.400365   3.336336
    25  H    2.104448   2.153313   3.418320   3.634329   3.886545
    26  C    6.140880   5.473525   6.795512   6.761450   7.870571
    27  O    6.870131   6.396751   7.315461   7.234338   8.402457
    28  N    5.151423   4.252510   5.934039   6.086322   6.960606
    29  H    6.467321   5.765295   7.229528   7.111257   8.296097
    30  C    4.759252   3.491711   5.838888   6.057377   6.783087
    31  H    5.355614   3.750815   6.511927   6.866004   7.382028
    32  H    3.693960   2.439049   4.850917   5.129614   5.752909
    33  H    5.272094   4.149589   6.372887   6.441620   7.325952
    34  C    5.007801   4.174946   5.606244   5.933769   6.578425
    35  H    5.807239   4.703978   6.465596   6.896156   7.373119
    36  H    5.396271   4.932467   5.731620   5.952788   6.731293
    37  H    4.051066   3.237633   4.678876   5.135681   5.597244
    38  C    5.238066   6.597337   4.348737   3.792899   5.118057
    39  O    5.727194   7.187385   4.875996   4.081945   5.613463
    40  N    5.479786   6.456005   4.838607   4.495625   5.727163
    41  H    4.887177   6.391718   3.784461   3.363363   4.399375
    42  C    6.318904   7.042165   5.917376   5.499080   6.894229
    43  H    6.356325   7.188402   5.987287   5.396677   6.969309
    44  H    7.356374   8.070119   6.877005   6.467348   7.810133
    45  H    6.159375   6.563397   5.991858   5.710083   7.027838
    46  C    5.341246   6.075406   4.756048   4.748286   5.589730
    47  H    5.014772   5.952517   4.220202   4.320439   4.904046
    48  H    4.862242   5.274225   4.572860   4.693670   5.492035
    49  H    6.396591   7.003584   5.816665   5.833927   6.607236
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390481   0.000000
    23  H    3.829072   1.102367   0.000000
    24  H    3.609596   1.102546   1.789985   0.000000
    25  H    4.178839   1.098861   1.797410   1.795285   0.000000
    26  C    6.517315   6.471426   7.573706   6.203459   6.183343
    27  O    6.897752   7.335360   8.430791   7.009499   7.176191
    28  N    5.652278   5.602898   6.692319   5.539534   5.262710
    29  H    7.103778   6.552327   7.638844   6.207756   6.164734
    30  C    5.785899   4.949441   5.997532   5.018788   4.364133
    31  H    6.421935   5.599170   6.584220   5.831367   4.905677
    32  H    4.890489   3.896370   4.933088   4.071501   3.333110
    33  H    6.448214   5.179942   6.212628   5.093603   4.528377
    34  C    5.088979   5.815398   6.852163   5.902379   5.625040
    35  H    5.909927   6.643077   7.648490   6.836341   6.358332
    36  H    5.089655   6.281432   7.311868   6.243308   6.252876
    37  H    4.173901   4.981794   5.967750   5.202690   4.847775
    38  C    3.856375   5.968125   6.601723   5.430926   6.722885
    39  O    4.630459   6.184813   6.767539   5.461557   6.959349
    40  N    4.172484   6.329112   7.112461   5.879767   6.918239
    41  H    3.204197   5.762070   6.276329   5.375182   6.604706
    42  C    5.358313   6.990063   7.874644   6.427813   7.433057
    43  H    5.613605   6.811380   7.674199   6.103719   7.263951
    44  H    6.248146   8.072006   8.938427   7.511940   8.528566
    45  H    5.417099   6.846958   7.815587   6.370676   7.141362
    46  C    3.853496   6.445967   7.232067   6.239129   6.970724
    47  H    3.230646   6.225529   6.886976   6.121129   6.855625
    48  H    3.706613   5.969504   6.843889   5.846330   6.347620
    49  H    4.869704   7.527179   8.320322   7.329597   8.016764
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242694   0.000000
    28  N    1.361122   2.315526   0.000000
    29  H    1.107824   2.057297   2.057015   0.000000
    30  C    2.466086   3.635232   1.463013   2.562018   0.000000
    31  H    3.138871   4.230586   2.116379   3.263940   1.103000
    32  H    3.230301   4.323224   2.108985   3.389991   1.101991
    33  H    2.553824   3.796249   2.103426   2.161844   1.098517
    34  C    2.463109   2.852981   1.464985   3.413630   2.496051
    35  H    3.029475   3.336823   2.122583   3.943059   2.943115
    36  H    2.582704   2.495542   2.100215   3.658135   3.390690
    37  H    3.291224   3.804437   2.099240   4.115291   2.619267
    38  C    6.199195   5.986439   6.114354   6.792883   6.904417
    39  O    6.585091   6.401633   6.657279   7.010447   7.366998
    40  N    5.276430   4.903407   5.261386   6.004895   6.261297
    41  H    6.822088   6.695282   6.533771   7.465577   7.223564
    42  C    4.596176   4.013181   4.951300   5.252518   6.094980
    43  H    4.724257   4.274220   5.194365   5.167879   6.195588
    44  H    5.309805   4.520535   5.777351   5.992564   7.015918
    45  H    3.593143   2.958205   3.987898   4.344195   5.232389
    46  C    5.309311   4.946814   5.039495   6.211562   6.077571
    47  H    6.139762   5.908936   5.689828   7.019381   6.561914
    48  H    4.418628   4.177535   4.016644   5.365234   5.058700
    49  H    5.723282   5.149977   5.575767   6.689844   6.750847
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787430   0.000000
    33  H    1.798443   1.793781   0.000000
    34  C    2.806934   2.740108   3.420297   0.000000
    35  H    2.837693   3.347604   3.896696   1.103490   0.000000
    36  H    3.837671   3.611020   4.174086   1.097341   1.796299
    37  H    2.943550   2.408230   3.637544   1.099722   1.790276
    38  C    7.825085   6.464112   7.285632   5.779922   6.764932
    39  O    8.367922   6.943281   7.578012   6.564690   7.602522
    40  N    7.120847   5.988956   6.715212   4.815096   5.735889
    41  H    8.076862   6.656589   7.709510   6.034465   6.972993
    42  C    6.988599   6.058477   6.391579   4.771559   5.670257
    43  H    7.179884   6.139498   6.318903   5.293928   6.266328
    44  H    7.859046   7.055690   7.317559   5.515289   6.304093
    45  H    6.070671   5.327494   5.565565   3.827610   4.685519
    46  C    6.768369   5.796120   6.742499   4.210336   4.974159
    47  H    7.214475   6.118842   7.283918   4.778741   5.511703
    48  H    5.698550   4.824759   5.787072   3.114896   3.891963
    49  H    7.368407   6.595391   7.433246   4.652061   5.255133
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796904   0.000000
    38  C    5.117237   5.520378   0.000000
    39  O    5.943921   6.359441   1.242897   0.000000
    40  N    4.006918   4.736888   1.360824   2.314970   0.000000
    41  H    5.452606   5.597366   1.108850   2.058193   2.058091
    42  C    3.882054   5.003465   2.470579   2.863749   1.466297
    43  H    4.537278   5.503113   2.578753   2.479277   2.105703
    44  H    4.525319   5.838987   3.080038   3.421629   2.119533
    45  H    2.920930   4.219358   3.268666   3.771164   2.100124
    46  C    3.387461   4.049525   2.466199   3.634585   1.463296
    47  H    4.114531   4.381257   2.552825   3.795107   2.105748
    48  H    2.346630   2.971187   3.154666   4.233282   2.109073
    49  H    3.697775   4.663437   3.212838   4.315823   2.111952
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419929   0.000000
    43  H    3.657787   1.097852   0.000000
    44  H    3.987178   1.102576   1.796760   0.000000
    45  H    4.091943   1.100082   1.794993   1.791723   0.000000
    46  C    2.562791   2.490343   3.385005   2.947734   2.598895
    47  H    2.159121   3.419712   4.185224   3.878031   3.640144
    48  H    3.294614   2.765197   3.608770   3.406543   2.433755
    49  H    3.361320   2.759927   3.802875   2.809241   2.847575
                   46         47         48         49
    46  C    0.000000
    47  H    1.098593   0.000000
    48  H    1.103239   1.795462   0.000000
    49  H    1.101920   1.796424   1.790853   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2142877      0.1942574      0.1848012
 Leave Link  202 at Mon Nov 14 03:34:36 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.9828808411 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840669801 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.7988138610 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4040
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.10D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     228
 GePol: Fraction of low-weight points (<1% of avg)   =       5.64%
 GePol: Cavity surface area                          =    467.540 Ang**2
 GePol: Cavity volume                                =    458.037 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039929351 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.7948209259 Hartrees.
 Leave Link  301 at Mon Nov 14 03:34:36 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37498.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:34:38 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:34:38 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.003848   -0.004430    0.000021
         Rot=    1.000000    0.000194   -0.000347    0.000313 Ang=   0.06 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50898383667    
 Leave Link  401 at Mon Nov 14 03:34:45 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48964800.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   1842.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.74D-15 for   1895    718.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.22D-15 for   1962.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.26D-10 for   2193   1655.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.13D-14 for   2108.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.29D-14 for   2441    163.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for    197.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.86D-16 for   2429    152.
 E= -1013.45044223976    
 DIIS: error= 8.90D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45044223976     IErMin= 1 ErrMin= 8.90D-04
 ErrMax= 8.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.10D-04 BMatP= 6.10D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.90D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.34D-04 MaxDP=4.79D-03              OVMax= 6.89D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.34D-04    CP:  1.00D+00
 E= -1013.45136755005     Delta-E=       -0.000925310288 Rises=F Damp=F
 DIIS: error= 1.37D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45136755005     IErMin= 2 ErrMin= 1.37D-04
 ErrMax= 1.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-05 BMatP= 6.10D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.37D-03
 Coeff-Com:  0.353D-01 0.965D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.352D-01 0.965D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.48D-05 MaxDP=2.48D-03 DE=-9.25D-04 OVMax= 3.42D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.39D-05    CP:  1.00D+00  9.45D-01
 E= -1013.45129775236     Delta-E=        0.000069797688 Rises=F Damp=F
 DIIS: error= 4.44D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45136755005     IErMin= 2 ErrMin= 1.37D-04
 ErrMax= 4.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-04 BMatP= 1.66D-05
 IDIUse=3 WtCom= 3.22D-01 WtEn= 6.78D-01
 Coeff-Com:  0.313D-02 0.719D+00 0.278D+00
 Coeff-En:   0.000D+00 0.801D+00 0.199D+00
 Coeff:      0.101D-02 0.775D+00 0.224D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.10D-05 MaxDP=1.55D-03 DE= 6.98D-05 OVMax= 2.50D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.95D-06    CP:  1.00D+00  9.65D-01  4.24D-01
 E= -1013.45137949401     Delta-E=       -0.000081741649 Rises=F Damp=F
 DIIS: error= 5.25D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45137949401     IErMin= 4 ErrMin= 5.25D-05
 ErrMax= 5.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-06 BMatP= 1.66D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-04 0.289D+00 0.879D-02 0.702D+00
 Coeff:     -0.109D-04 0.289D+00 0.879D-02 0.702D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.84D-06 MaxDP=2.98D-04 DE=-8.17D-05 OVMax= 4.17D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.33D-06    CP:  1.00D+00  9.74D-01  3.12D-01  7.84D-01
 E= -1013.45138130011     Delta-E=       -0.000001806100 Rises=F Damp=F
 DIIS: error= 4.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45138130011     IErMin= 5 ErrMin= 4.05D-05
 ErrMax= 4.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-07 BMatP= 2.53D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.541D-04 0.148D+00-0.139D-01 0.481D+00 0.385D+00
 Coeff:     -0.541D-04 0.148D+00-0.139D-01 0.481D+00 0.385D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=1.02D-04 DE=-1.81D-06 OVMax= 1.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.79D-07    CP:  1.00D+00  9.74D-01  3.07D-01  7.95D-01  5.69D-01
 E= -1013.45138155652     Delta-E=       -0.000000256412 Rises=F Damp=F
 DIIS: error= 1.48D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45138155652     IErMin= 6 ErrMin= 1.48D-06
 ErrMax= 1.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-09 BMatP= 2.95D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.234D-04 0.369D-01-0.474D-02 0.130D+00 0.126D+00 0.711D+00
 Coeff:     -0.234D-04 0.369D-01-0.474D-02 0.130D+00 0.126D+00 0.711D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.74D-07 MaxDP=6.00D-06 DE=-2.56D-07 OVMax= 9.12D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.48D-07    CP:  1.00D+00  9.74D-01  3.08D-01  8.02D-01  5.76D-01
                    CP:  8.93D-01
 E= -1013.45138155745     Delta-E=       -0.000000000927 Rises=F Damp=F
 DIIS: error= 4.52D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45138155745     IErMin= 7 ErrMin= 4.52D-07
 ErrMax= 4.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.05D-10 BMatP= 1.30D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D-04 0.107D-01-0.169D-02 0.407D-01 0.445D-01 0.407D+00
 Coeff-Com:  0.499D+00
 Coeff:     -0.123D-04 0.107D-01-0.169D-02 0.407D-01 0.445D-01 0.407D+00
 Coeff:      0.499D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.72D-08 MaxDP=3.29D-06 DE=-9.27D-10 OVMax= 4.00D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.61D-08    CP:  1.00D+00  9.74D-01  3.08D-01  8.03D-01  5.75D-01
                    CP:  9.05D-01  6.76D-01
 E= -1013.45138155781     Delta-E=       -0.000000000364 Rises=F Damp=F
 DIIS: error= 3.24D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45138155781     IErMin= 8 ErrMin= 3.24D-07
 ErrMax= 3.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.68D-11 BMatP= 4.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.700D-05 0.443D-02-0.766D-03 0.176D-01 0.206D-01 0.227D+00
 Coeff-Com:  0.353D+00 0.378D+00
 Coeff:     -0.700D-05 0.443D-02-0.766D-03 0.176D-01 0.206D-01 0.227D+00
 Coeff:      0.353D+00 0.378D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.11D-08 MaxDP=1.68D-06 DE=-3.64D-10 OVMax= 2.89D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.31D-08    CP:  1.00D+00  9.74D-01  3.08D-01  8.02D-01  5.75D-01
                    CP:  9.07D-01  6.77D-01  5.53D-01
 E= -1013.45138155786     Delta-E=       -0.000000000044 Rises=F Damp=F
 DIIS: error= 1.34D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45138155786     IErMin= 9 ErrMin= 1.34D-07
 ErrMax= 1.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-11 BMatP= 8.68D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.260D-05 0.623D-03-0.124D-03 0.291D-02 0.422D-02 0.665D-01
 Coeff-Com:  0.139D+00 0.291D+00 0.495D+00
 Coeff:     -0.260D-05 0.623D-03-0.124D-03 0.291D-02 0.422D-02 0.665D-01
 Coeff:      0.139D+00 0.291D+00 0.495D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.09D-08 MaxDP=5.23D-07 DE=-4.37D-11 OVMax= 9.36D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.22D-09    CP:  1.00D+00  9.74D-01  3.08D-01  8.02D-01  5.76D-01
                    CP:  9.07D-01  6.80D-01  6.26D-01  6.53D-01
 E= -1013.45138155785     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 9.08D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1013.45138155786     IErMin=10 ErrMin= 9.08D-09
 ErrMax= 9.08D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-13 BMatP= 1.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.696D-06 0.484D-04-0.122D-04 0.350D-03 0.729D-03 0.157D-01
 Coeff-Com:  0.387D-01 0.956D-01 0.193D+00 0.656D+00
 Coeff:     -0.696D-06 0.484D-04-0.122D-04 0.350D-03 0.729D-03 0.157D-01
 Coeff:      0.387D-01 0.956D-01 0.193D+00 0.656D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.51D-09 MaxDP=8.05D-08 DE= 7.73D-12 OVMax= 6.85D-08

 Error on total polarization charges =  0.04320
 SCF Done:  E(RB97D) =  -1013.45138156     A.U. after   10 cycles
            NFock= 10  Conv=0.15D-08     -V/T= 2.0213
 KE= 9.923507434651D+02 PE=-6.029153036145D+03 EE= 2.174556090196D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:36:45 2016, MaxMem=  2952790016 cpu:      1380.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37498.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 03:36:53 2016, MaxMem=  2952790016 cpu:        97.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:36:53 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:37:30 2016, MaxMem=  2952790016 cpu:       441.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23636064D+00-2.55618053D+00 3.32500546D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000261913    0.000629129   -0.000021016
      2        6          -0.000034067   -0.000060833    0.000139461
      3        8          -0.000012295    0.000074684    0.000010608
      4        7           0.000102298   -0.000002295   -0.000043377
      5        1          -0.000005408    0.000024321   -0.000047376
      6        6           0.000094830   -0.000085172    0.000173338
      7        1           0.000002996    0.000042570    0.000120640
      8        1          -0.000056629    0.000148200   -0.000192510
      9        1          -0.000043146    0.000058216    0.000040589
     10        6          -0.000028903   -0.000049082   -0.000154150
     11        1           0.000022298   -0.000043728    0.000063930
     12        1          -0.000002963    0.000065065   -0.000018674
     13        1           0.000039179    0.000016699    0.000027902
     14        6          -0.000046245    0.000032678    0.000001354
     15        8          -0.000010748   -0.000033209   -0.000050026
     16        7           0.000007733    0.000024589   -0.000004869
     17        1           0.000015283   -0.000008679   -0.000020936
     18        6           0.000081911    0.000063166   -0.000101827
     19        1           0.000002198   -0.000027958   -0.000012968
     20        1           0.000007285   -0.000017385   -0.000053399
     21        1          -0.000032804   -0.000062561   -0.000033496
     22        6          -0.000010589    0.000003735   -0.000044428
     23        1           0.000054091    0.000015596   -0.000087347
     24        1           0.000027849   -0.000020862   -0.000014458
     25        1           0.000039584    0.000029903   -0.000021806
     26        6          -0.000052611   -0.000028649   -0.000043383
     27        8          -0.000017863   -0.000085356    0.000118389
     28        7           0.000046439    0.000092294    0.000049842
     29        1           0.000037176   -0.000010811    0.000049950
     30        6           0.000017227   -0.000057250   -0.000014127
     31        1           0.000034032    0.000061619    0.000031986
     32        1          -0.000070160   -0.000039663    0.000090157
     33        1          -0.000024680    0.000016412   -0.000004849
     34        6          -0.000028528   -0.000007800    0.000068209
     35        1          -0.000017074   -0.000010192    0.000005003
     36        1          -0.000095810   -0.000015865   -0.000002118
     37        1           0.000009582   -0.000012018    0.000005298
     38        6          -0.000043810   -0.000163097   -0.000079058
     39        8           0.000061645   -0.000076682   -0.000074106
     40        7           0.000146389   -0.000062171   -0.000022298
     41        1          -0.000040792    0.000098031   -0.000012372
     42        6          -0.000686602   -0.000174583    0.000172372
     43        1          -0.000168780   -0.000041321    0.000000036
     44        1           0.000329764    0.000087247   -0.000026497
     45        1           0.000165645   -0.000131015    0.000147887
     46        6          -0.000050956   -0.000028238   -0.000038199
     47        1          -0.000013803   -0.000081371    0.000004356
     48        1           0.000001493   -0.000114733   -0.000080638
     49        1          -0.000013575   -0.000031579   -0.000000997
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000686602 RMS     0.000107218
 Leave Link  716 at Mon Nov 14 03:37:30 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000169799 RMS     0.000019771
 Search for a local minimum.
 Step number  76 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .19771D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   46   56   60   61   62
                                                     63   64   65   66   67
                                                     68   69   70   71   72
                                                     73   74   75   76
 DE= -5.52D-05 DEPred=-5.27D-05 R= 1.05D+00
 TightC=F SS=  1.41D+00  RLast= 2.67D-01 DXNew= 8.9789D-02 8.0080D-01
 Trust test= 1.05D+00 RLast= 2.67D-01 DXMaxT set to 8.98D-02
 ITU=  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0
 ITU=  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00010   0.00027   0.00067   0.00125   0.00163
     Eigenvalues ---    0.00190   0.00211   0.00222   0.00333   0.00409
     Eigenvalues ---    0.00420   0.00551   0.00595   0.00656   0.00683
     Eigenvalues ---    0.00715   0.00797   0.00858   0.00978   0.00998
     Eigenvalues ---    0.01050   0.01096   0.01135   0.01230   0.01294
     Eigenvalues ---    0.01316   0.01449   0.01501   0.01521   0.01607
     Eigenvalues ---    0.01661   0.01735   0.01798   0.01827   0.01843
     Eigenvalues ---    0.01909   0.02005   0.02101   0.02132   0.02178
     Eigenvalues ---    0.02259   0.02471   0.02568   0.02782   0.02962
     Eigenvalues ---    0.03068   0.03499   0.03818   0.04235   0.04335
     Eigenvalues ---    0.04501   0.05084   0.05405   0.05812   0.06138
     Eigenvalues ---    0.06204   0.06347   0.06374   0.06532   0.06666
     Eigenvalues ---    0.07031   0.07257   0.07349   0.07632   0.07990
     Eigenvalues ---    0.08055   0.08122   0.08160   0.08278   0.08452
     Eigenvalues ---    0.08593   0.08765   0.08892   0.08979   0.09251
     Eigenvalues ---    0.09619   0.09708   0.09819   0.09949   0.10057
     Eigenvalues ---    0.10219   0.10440   0.10461   0.10797   0.10886
     Eigenvalues ---    0.11170   0.11268   0.11369   0.11720   0.13214
     Eigenvalues ---    0.13366   0.14171   0.14282   0.15074   0.15231
     Eigenvalues ---    0.15520   0.16102   0.21149   0.21468   0.22494
     Eigenvalues ---    0.23531   0.24127   0.24760   0.25640   0.26023
     Eigenvalues ---    0.26906   0.27366   0.28179   0.29109   0.29599
     Eigenvalues ---    0.29795   0.30449   0.32773   0.32776   0.32823
     Eigenvalues ---    0.32830   0.33296   0.33336   0.33357   0.33374
     Eigenvalues ---    0.33393   0.33421   0.33450   0.33517   0.33691
     Eigenvalues ---    0.33793   0.33812   0.33829   0.33922   0.33934
     Eigenvalues ---    0.34015   0.34154   0.34198   0.37255   0.38612
     Eigenvalues ---    0.39908   0.40803   0.85844   0.86012   0.86347
     Eigenvalues ---    0.87615
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    76   75   74   73   72
 RFO step:  Lambda=-1.47714910D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  9.16D-06 SmlDif=  1.00D-05
 RMS Error=  0.1158484577D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    0.84273    0.10791   -0.01355    0.01790    0.04501
 Iteration  1 RMS(Cart)=  0.00227092 RMS(Int)=  0.00003644
 Iteration  2 RMS(Cart)=  0.00000446 RMS(Int)=  0.00000942
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000942
 ITry= 1 IFail=0 DXMaxC= 1.67D-02 DCOld= 1.00D+10 DXMaxT= 8.98D-02 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.60207  -0.00006   0.00014  -0.00302  -0.00288   6.59919
    R2        6.26480  -0.00002   0.00216   0.00172   0.00388   6.26868
    R3        7.25796  -0.00003   0.00061   0.00292   0.00354   7.26150
    R4        6.34965   0.00008   0.00147   0.00293   0.00440   6.35405
    R5        6.53240   0.00005   0.00195   0.00204   0.00399   6.53640
    R6        5.98782   0.00000   0.00084  -0.00201  -0.00118   5.98664
    R7        6.69396  -0.00001   0.00045   0.00111   0.00156   6.69552
    R8        6.23118  -0.00002  -0.00011  -0.00153  -0.00165   6.22953
    R9        6.66036  -0.00001   0.00085   0.00104   0.00189   6.66224
   R10        6.07655   0.00001   0.00063   0.00054   0.00117   6.07773
   R11        6.96181  -0.00001  -0.00060  -0.00391  -0.00451   6.95730
   R12        6.02999   0.00000  -0.00084  -0.00361  -0.00445   6.02554
   R13        6.87873  -0.00002   0.00096   0.00375   0.00472   6.88345
   R14        6.19997   0.00002  -0.00044   0.00000  -0.00043   6.19954
   R15        6.88180   0.00001  -0.00053  -0.00254  -0.00307   6.87873
   R16        5.96185  -0.00001   0.00053   0.00062   0.00115   5.96300
   R17        6.69185   0.00001  -0.00032   0.00005  -0.00027   6.69159
   R18        6.58928  -0.00008  -0.00572   0.00131  -0.00442   6.58486
   R19        6.22003  -0.00006   0.00012  -0.00574  -0.00560   6.21443
   R20        6.59625  -0.00003  -0.00081   0.00224   0.00146   6.59772
   R21        6.09252  -0.00003   0.00227   0.00241   0.00467   6.09719
   R22        7.00273  -0.00005   0.00295  -0.00593  -0.00293   6.99979
   R23        6.01633  -0.00007   0.00128  -0.00320  -0.00194   6.01439
   R24        2.34978  -0.00002   0.00004   0.00014   0.00018   2.34996
   R25        2.57115   0.00005  -0.00006   0.00045   0.00039   2.57154
   R26        2.09483   0.00000   0.00001  -0.00018  -0.00017   2.09467
   R27        2.76501   0.00004  -0.00012   0.00092   0.00079   2.76580
   R28        2.76806   0.00001  -0.00006   0.00029   0.00023   2.76829
   R29        2.07645   0.00002   0.00001  -0.00004  -0.00003   2.07643
   R30        2.08310  -0.00016  -0.00019   0.00028   0.00008   2.08318
   R31        2.08307  -0.00003  -0.00002  -0.00003  -0.00005   2.08303
   R32        2.08026   0.00008  -0.00002   0.00042   0.00040   2.08066
   R33        2.07469  -0.00001  -0.00001  -0.00001  -0.00001   2.07468
   R34        2.08356   0.00000  -0.00001  -0.00001  -0.00002   2.08355
   R35        2.34888  -0.00002   0.00000  -0.00004  -0.00005   2.34883
   R36        2.57165   0.00000   0.00001   0.00017   0.00019   2.57184
   R37        2.09419   0.00000   0.00002   0.00001   0.00003   2.09421
   R38        2.76876  -0.00002  -0.00004  -0.00001  -0.00004   2.76871
   R39        2.76490   0.00003   0.00000   0.00022   0.00023   2.76513
   R40        2.08192  -0.00003  -0.00001   0.00008   0.00007   2.08199
   R41        2.08398   0.00000   0.00001   0.00003   0.00004   2.08402
   R42        2.07425  -0.00001  -0.00003  -0.00002  -0.00005   2.07420
   R43        2.08317   0.00000   0.00000   0.00005   0.00005   2.08323
   R44        2.08351  -0.00002  -0.00003  -0.00012  -0.00013   2.08338
   R45        2.07655   0.00001   0.00000   0.00001   0.00001   2.07655
   R46        2.34835  -0.00002  -0.00001  -0.00013  -0.00014   2.34821
   R47        2.57215  -0.00009  -0.00002  -0.00036  -0.00040   2.57175
   R48        2.09348   0.00000   0.00001   0.00004   0.00005   2.09354
   R49        2.76469   0.00001   0.00013   0.00001   0.00012   2.76482
   R50        2.76842   0.00002   0.00006  -0.00012  -0.00007   2.76835
   R51        2.08437   0.00000   0.00001   0.00004   0.00004   2.08441
   R52        2.08246   0.00003   0.00001  -0.00039  -0.00038   2.08208
   R53        2.07590   0.00001  -0.00004  -0.00004  -0.00008   2.07582
   R54        2.08529  -0.00001  -0.00002  -0.00001  -0.00003   2.08526
   R55        2.07367   0.00003   0.00004   0.00013   0.00017   2.07384
   R56        2.07817  -0.00002  -0.00003  -0.00009  -0.00012   2.07805
   R57        2.34874   0.00001   0.00006   0.00002   0.00008   2.34882
   R58        2.57158   0.00004   0.00002  -0.00073  -0.00077   2.57082
   R59        2.09542  -0.00007  -0.00006  -0.00029  -0.00036   2.09507
   R60        2.77090  -0.00011  -0.00012   0.00076   0.00061   2.77151
   R61        2.76523   0.00000   0.00004  -0.00117  -0.00115   2.76407
   R62        2.07464   0.00002  -0.00004  -0.00023  -0.00028   2.07436
   R63        2.08357   0.00001   0.00002  -0.00019  -0.00017   2.08340
   R64        2.07885   0.00017   0.00005   0.00008   0.00009   2.07895
   R65        2.07604   0.00002   0.00003   0.00011   0.00014   2.07618
   R66        2.08482   0.00002   0.00003   0.00009   0.00008   2.08490
   R67        2.08233   0.00000  -0.00009   0.00019   0.00010   2.08243
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    A2        0.95623  -0.00001  -0.00007  -0.00001  -0.00009   0.95614
    A3        0.72640   0.00001  -0.00014   0.00004  -0.00010   0.72630
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    A5        2.34362   0.00000   0.00034  -0.00005   0.00029   2.34391
    A6        2.02754  -0.00001   0.00045  -0.00079  -0.00034   2.02720
    A7        1.98725  -0.00001   0.00054  -0.00175  -0.00121   1.98604
    A8        1.69481  -0.00001   0.00063  -0.00181  -0.00118   1.69363
    A9        1.65585  -0.00001   0.00037  -0.00063  -0.00026   1.65558
   A10        1.37511  -0.00001   0.00037  -0.00087  -0.00050   1.37462
   A11        1.72813   0.00002  -0.00027   0.00054   0.00028   1.72841
   A12        2.03153   0.00002  -0.00045   0.00015  -0.00031   2.03122
   A13        1.93531   0.00002  -0.00058  -0.00018  -0.00076   1.93454
   A14        2.01858   0.00002  -0.00034   0.00109   0.00075   2.01932
   A15        2.42698   0.00002  -0.00033   0.00012  -0.00020   2.42678
   A16        1.58625  -0.00001   0.00078   0.00147   0.00224   1.58849
   A17        1.78343   0.00000   0.00027   0.00175   0.00201   1.78545
   A18        1.55984   0.00001  -0.00027   0.00163   0.00135   1.56119
   A19        1.69881   0.00003  -0.00035   0.00114   0.00079   1.69959
   A20        2.18717   0.00001  -0.00001   0.00193   0.00193   2.18910
   A21        2.40523   0.00001   0.00017   0.00191   0.00210   2.40732
   A22        0.64293  -0.00001  -0.00026   0.00022  -0.00004   0.64289
   A23        0.65830   0.00000  -0.00027   0.00008  -0.00019   0.65812
   A24        2.39328   0.00000   0.00036   0.00016   0.00053   2.39380
   A25        2.22537  -0.00001   0.00054  -0.00093  -0.00039   2.22499
   A26        2.32926  -0.00001   0.00059  -0.00181  -0.00121   2.32805
   A27        2.06592   0.00000   0.00067  -0.00184  -0.00116   2.06475
   A28        1.81799  -0.00001   0.00050  -0.00120  -0.00070   1.81729
   A29        1.57823  -0.00001   0.00050  -0.00142  -0.00092   1.57730
   A30        1.33548   0.00001  -0.00021   0.00033   0.00013   1.33561
   A31        1.63331   0.00001  -0.00042  -0.00006  -0.00048   1.63283
   A32        1.58172   0.00000  -0.00058  -0.00034  -0.00091   1.58081
   A33        1.72929   0.00001  -0.00037   0.00090   0.00053   1.72982
   A34        2.03074   0.00001  -0.00029  -0.00009  -0.00038   2.03036
   A35        1.84709   0.00000   0.00108   0.00167   0.00274   1.84983
   A36        1.91169   0.00001   0.00044   0.00193   0.00237   1.91406
   A37        1.56262   0.00002   0.00009   0.00174   0.00182   1.56444
   A38        1.58066   0.00003  -0.00004   0.00116   0.00112   1.58178
   A39        2.26630   0.00002  -0.00014   0.00198   0.00185   2.26814
   A40        2.35967   0.00002   0.00033   0.00127   0.00161   2.36128
   A41        0.68836   0.00002  -0.00011  -0.00004  -0.00015   0.68821
   A42        0.74487   0.00002  -0.00020   0.00036   0.00016   0.74503
   A43        2.65656   0.00001   0.00037   0.00023   0.00060   2.65717
   A44        2.60385   0.00000   0.00056  -0.00102  -0.00046   2.60339
   A45        2.66520   0.00000   0.00040  -0.00152  -0.00112   2.66408
   A46        2.36061   0.00000   0.00041  -0.00139  -0.00098   2.35963
   A47        2.19672   0.00000   0.00052  -0.00136  -0.00084   2.19588
   A48        1.96328   0.00000   0.00049  -0.00147  -0.00099   1.96229
   A49        1.09251   0.00002  -0.00019   0.00037   0.00018   1.09269
   A50        1.45172   0.00001  -0.00034  -0.00002  -0.00036   1.45136
   A51        1.55068   0.00001  -0.00047  -0.00024  -0.00072   1.54997
   A52        1.78263   0.00002  -0.00030   0.00072   0.00042   1.78305
   A53        1.77964   0.00001  -0.00016  -0.00003  -0.00019   1.77944
   A54        1.70432   0.00000   0.00126   0.00155   0.00280   1.70711
   A55        1.63875   0.00000   0.00048   0.00186   0.00233   1.64109
   A56        1.23870   0.00001   0.00024   0.00173   0.00195   1.24065
   A57        1.20714   0.00002   0.00003   0.00120   0.00123   1.20837
   A58        1.93315   0.00001  -0.00022   0.00185   0.00164   1.93479
   A59        1.98196   0.00001   0.00035   0.00117   0.00153   1.98349
   A60        0.84051   0.00001  -0.00068   0.00087   0.00018   0.84070
   A61        0.77610   0.00002  -0.00088   0.00161   0.00073   0.77682
   A62        2.59827   0.00002  -0.00042   0.00138   0.00097   2.59924
   A63        2.77057   0.00000  -0.00010   0.00002  -0.00007   2.77050
   A64        2.61708  -0.00002   0.00059  -0.00165  -0.00105   2.61603
   A65        2.39739  -0.00001   0.00003  -0.00084  -0.00082   2.39658
   A66        2.20347  -0.00001   0.00014  -0.00115  -0.00101   2.20246
   A67        0.85129   0.00003  -0.00058   0.00105   0.00046   0.85175
   A68        1.22710   0.00002  -0.00075   0.00076   0.00000   1.22711
   A69        1.40561   0.00002  -0.00104   0.00089  -0.00016   1.40545
   A70        1.67416   0.00002  -0.00093   0.00166   0.00071   1.67488
   A71        1.51756   0.00002  -0.00036   0.00042   0.00006   1.51762
   A72        1.71765   0.00000   0.00206   0.00012   0.00218   1.71983
   A73        1.54784   0.00001   0.00123   0.00053   0.00176   1.54960
   A74        1.11921   0.00002   0.00114   0.00047   0.00159   1.12080
   A75        1.01063   0.00002   0.00076   0.00032   0.00106   1.01169
   A76        1.76549   0.00002   0.00034   0.00070   0.00105   1.76653
   A77        1.75731   0.00002   0.00081   0.00026   0.00107   1.75838
   A78        1.99517   0.00000   0.00050   0.00024   0.00075   1.99592
   A79        1.94363  -0.00002   0.00071  -0.00106  -0.00035   1.94329
   A80        2.22547  -0.00002   0.00077  -0.00201  -0.00124   2.22423
   A81        2.08568  -0.00002   0.00089  -0.00236  -0.00147   2.08421
   A82        1.55699  -0.00002   0.00071  -0.00172  -0.00101   1.55598
   A83        1.39208  -0.00002   0.00071  -0.00204  -0.00133   1.39075
   A84        1.19507   0.00002  -0.00009   0.00043   0.00034   1.19541
   A85        1.37859   0.00002  -0.00031   0.00009  -0.00021   1.37838
   A86        1.20995   0.00001  -0.00044  -0.00022  -0.00066   1.20928
   A87        1.31145   0.00002  -0.00022   0.00105   0.00083   1.31227
   A88        1.80477   0.00002  -0.00027   0.00007  -0.00020   1.80456
   A89        2.27787   0.00000   0.00088   0.00157   0.00243   2.28031
   A90        2.32068   0.00002   0.00034   0.00185   0.00219   2.32287
   A91        1.92645   0.00003   0.00014   0.00168   0.00181   1.92826
   A92        1.85065   0.00003   0.00010   0.00114   0.00125   1.85189
   A93        2.60578   0.00003  -0.00037   0.00161   0.00127   2.60705
   A94        2.54805   0.00002   0.00029   0.00022   0.00052   2.54857
   A95        1.91263  -0.00001   0.00056  -0.00014   0.00043   1.91306
   A96        1.99688  -0.00001   0.00075  -0.00152  -0.00077   1.99610
   A97        2.37513  -0.00002   0.00076  -0.00222  -0.00146   2.37367
   A98        2.33303  -0.00001   0.00088  -0.00277  -0.00189   2.33114
   A99        1.67072  -0.00002   0.00075  -0.00247  -0.00171   1.66901
   A100       1.57888  -0.00002   0.00071  -0.00271  -0.00200   1.57689
   A101       0.88869   0.00001   0.00003   0.00067   0.00070   0.88939
   A102       1.05681   0.00001  -0.00018   0.00016  -0.00002   1.05679
   A103       0.92538   0.00000  -0.00031  -0.00038  -0.00069   0.92469
   A104       1.08236   0.00001  -0.00010   0.00066   0.00056   1.08292
   A105       1.48289   0.00001  -0.00014   0.00014   0.00000   1.48289
   A106       2.44864   0.00001   0.00104   0.00191   0.00294   2.45158
   A107       2.32101   0.00002   0.00038   0.00204   0.00242   2.32343
   A108       1.88939   0.00004   0.00036   0.00195   0.00230   1.89169
   A109       1.71914   0.00002   0.00031   0.00149   0.00179   1.72093
   A110       2.44224   0.00002  -0.00035   0.00131   0.00099   2.44323
   A111       2.28396   0.00001   0.00037   0.00000   0.00038   2.28434
   A112       0.71395   0.00000  -0.00007  -0.00012  -0.00019   0.71376
   A113       1.00538   0.00000  -0.00008  -0.00006  -0.00014   1.00524
   A114       0.69538   0.00001   0.00001   0.00026   0.00027   0.69565
   A115       0.98283   0.00000   0.00002   0.00039   0.00041   0.98324
   A116       1.80690  -0.00001   0.00032  -0.00004   0.00028   1.80718
   A117       1.42575   0.00000   0.00037   0.00026   0.00064   1.42638
   A118       1.19481   0.00000   0.00062   0.00043   0.00106   1.19587
   A119       0.92436  -0.00001   0.00053  -0.00028   0.00026   0.92462
   A120       1.24889   0.00000  -0.00004   0.00020   0.00016   1.24905
   A121       1.91948  -0.00001  -0.00164  -0.00176  -0.00339   1.91609
   A122       1.96677  -0.00001  -0.00084  -0.00210  -0.00294   1.96383
   A123       2.32446  -0.00002  -0.00040  -0.00188  -0.00226   2.32220
   A124       2.23987  -0.00003  -0.00003  -0.00113  -0.00116   2.23872
   A125       1.62308  -0.00002  -0.00023  -0.00215  -0.00239   1.62069
   A126       1.49035  -0.00002  -0.00063  -0.00175  -0.00239   1.48796
   A127       0.65580   0.00000  -0.00002   0.00006   0.00004   0.65584
   A128       0.66079   0.00000   0.00006   0.00029   0.00035   0.66114
   A129       2.17246  -0.00001   0.00041  -0.00053  -0.00012   2.17234
   A130       1.79925   0.00000   0.00039  -0.00018   0.00021   1.79946
   A131       1.50895   0.00000   0.00062  -0.00041   0.00021   1.50916
   A132       1.21842  -0.00001   0.00054  -0.00082  -0.00028   1.21814
   A133       1.64217   0.00000  -0.00007   0.00026   0.00019   1.64235
   A134       1.76360  -0.00001  -0.00184  -0.00026  -0.00209   1.76150
   A135       1.96422  -0.00001  -0.00113  -0.00056  -0.00168   1.96253
   A136       2.39340  -0.00002  -0.00104  -0.00049  -0.00151   2.39188
   A137       2.47200  -0.00002  -0.00062  -0.00017  -0.00078   2.47121
   A138       1.73206  -0.00001  -0.00037  -0.00064  -0.00102   1.73105
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   A143       2.11767   0.00000   0.00023   0.00072   0.00095   2.11862
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   A184       2.25855  -0.00001  -0.00038   0.00112   0.00075   2.25930
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   A191       1.40039   0.00002   0.00064   0.00038   0.00101   1.40140
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   A194       1.40340  -0.00001   0.00034  -0.00095  -0.00062   1.40278
   A195       0.66663   0.00000   0.00003  -0.00021  -0.00019   0.66644
   A196       2.25506   0.00001   0.00056  -0.00054   0.00005   2.25511
   A197       1.85635  -0.00001   0.00036  -0.00040  -0.00005   1.85631
   A198       1.63926   0.00001   0.00077  -0.00016   0.00060   1.63986
   A199       1.31976  -0.00002   0.00069  -0.00006   0.00062   1.32038
   A200       1.60783  -0.00001  -0.00001  -0.00072  -0.00073   1.60709
   A201       1.34059  -0.00001   0.00046  -0.00132  -0.00088   1.33972
   A202       0.70928   0.00000   0.00005   0.00028   0.00033   0.70961
   A203       2.63858   0.00001   0.00040  -0.00062  -0.00017   2.63841
   A204       2.25261  -0.00001   0.00041  -0.00040   0.00002   2.25263
   A205       2.04914   0.00001   0.00080   0.00008   0.00087   2.05001
   A206       1.72996  -0.00002   0.00073   0.00015   0.00086   1.73082
   A207       1.94808  -0.00001   0.00019  -0.00085  -0.00067   1.94741
   A208       1.66549  -0.00001   0.00050  -0.00136  -0.00087   1.66463
   A209       0.83571   0.00000  -0.00012  -0.00072  -0.00085   0.83487
   A210       2.67738  -0.00001  -0.00040  -0.00253  -0.00289   2.67448
   A211       2.38346  -0.00002   0.00018  -0.00210  -0.00191   2.38154
   A212       2.29351   0.00000   0.00078  -0.00083  -0.00007   2.29345
   A213       1.97682  -0.00003   0.00071  -0.00057   0.00011   1.97694
   A214       2.00845  -0.00002   0.00014  -0.00255  -0.00242   2.00603
   A215       1.73022  -0.00003   0.00024  -0.00283  -0.00260   1.72763
   A216       1.93121   0.00000   0.00033  -0.00099  -0.00064   1.93057
   A217       1.56270  -0.00001   0.00037  -0.00095  -0.00058   1.56212
   A218       1.49158  -0.00001   0.00087  -0.00082   0.00005   1.49163
   A219       1.19954  -0.00003   0.00080  -0.00055   0.00025   1.19979
   A220       1.23916  -0.00001   0.00012  -0.00110  -0.00098   1.23818
   A221       0.95775  -0.00002   0.00045  -0.00159  -0.00115   0.95660
   A222       0.72386  -0.00001   0.00039  -0.00017   0.00021   0.72407
   A223       1.01470   0.00002   0.00033  -0.00015   0.00018   1.01488
   A224       0.69742   0.00001   0.00003   0.00016   0.00020   0.69762
   A225       0.98134   0.00002  -0.00021   0.00060   0.00040   0.98175
   A226       0.65606   0.00001  -0.00010   0.00014   0.00004   0.65609
   A227       0.66273   0.00001  -0.00005   0.00046   0.00039   0.66313
   A228       0.70431  -0.00001  -0.00025   0.00021  -0.00004   0.70427
   A229       0.84970   0.00000   0.00044   0.00016   0.00058   0.85028
   A230       0.75680   0.00000  -0.00048   0.00036  -0.00012   0.75667
   A231       0.77910  -0.00001   0.00041   0.00014   0.00053   0.77963
   A232       1.58996   0.00001   0.00014  -0.00071  -0.00057   1.58939
   A233       1.86316   0.00002  -0.00053   0.00091   0.00038   1.86355
   A234       2.18996   0.00000   0.00012  -0.00021  -0.00009   2.18988
   A235       2.12954  -0.00002  -0.00013   0.00024   0.00010   2.12964
   A236       1.96328   0.00002   0.00002   0.00003   0.00005   1.96333
   A237       2.12456  -0.00003  -0.00013   0.00027   0.00014   2.12470
   A238       2.12617  -0.00002  -0.00001  -0.00065  -0.00066   2.12551
   A239       2.03195   0.00005   0.00009   0.00033   0.00042   2.03237
   A240       1.83638  -0.00004  -0.00265   0.00358   0.00093   1.83731
   A241       2.53768   0.00005   0.00277  -0.00345  -0.00067   2.53701
   A242       1.91348   0.00000   0.00005  -0.00003   0.00002   1.91350
   A243       1.91683   0.00003  -0.00013   0.00133   0.00121   1.91804
   A244       1.91586   0.00001   0.00062  -0.00024   0.00038   1.91625
   A245       1.91094  -0.00003  -0.00035  -0.00002  -0.00037   1.91056
   A246       1.90845  -0.00001  -0.00016  -0.00014  -0.00030   1.90815
   A247       1.89816   0.00001  -0.00004  -0.00091  -0.00096   1.89720
   A248       1.27975   0.00001   0.00010   0.00174   0.00183   1.28159
   A249       1.90383  -0.00004  -0.00030   0.00003  -0.00028   1.90355
   A250       1.90987   0.00001  -0.00011  -0.00007  -0.00019   1.90968
   A251       1.92796   0.00004   0.00019   0.00029   0.00048   1.92844
   A252       1.91100   0.00000   0.00014  -0.00024  -0.00008   1.91092
   A253       1.89838   0.00001   0.00003  -0.00002   0.00000   1.89838
   A254       1.91267  -0.00001   0.00005   0.00001   0.00006   1.91273
   A255       1.72048   0.00001   0.00060   0.00247   0.00307   1.72355
   A256       1.76488   0.00000  -0.00049  -0.00152  -0.00201   1.76287
   A257       2.19087   0.00002   0.00005   0.00014   0.00019   2.19106
   A258       2.13001   0.00000  -0.00006  -0.00015  -0.00021   2.12980
   A259       1.96209  -0.00001   0.00001   0.00002   0.00003   1.96212
   A260       2.12533  -0.00001   0.00002  -0.00009  -0.00007   2.12526
   A261       2.12261   0.00001  -0.00006   0.00008   0.00003   2.12264
   A262       2.03490  -0.00001   0.00005   0.00003   0.00008   2.03497
   A263       1.35101   0.00003   0.00051   0.00123   0.00174   1.35275
   A264       1.90051   0.00002   0.00003  -0.00007  -0.00003   1.90048
   A265       1.93124   0.00000  -0.00001   0.00013   0.00012   1.93136
   A266       1.90981   0.00000   0.00002   0.00002   0.00005   1.90986
   A267       1.89714  -0.00001  -0.00004   0.00011   0.00007   1.89721
   A268       1.91316   0.00001   0.00002   0.00011   0.00013   1.91329
   A269       1.91184  -0.00002  -0.00003  -0.00030  -0.00033   1.91151
   A270       2.66347   0.00001  -0.00008   0.00131   0.00123   2.66471
   A271       1.70011  -0.00001   0.00006  -0.00147  -0.00140   1.69871
   A272       1.92398   0.00000   0.00002   0.00035   0.00037   1.92435
   A273       1.91362   0.00000   0.00007  -0.00002   0.00006   1.91368
   A274       1.91348   0.00000  -0.00002   0.00001  -0.00001   1.91348
   A275       1.89451   0.00000  -0.00003  -0.00017  -0.00020   1.89431
   A276       1.91081   0.00000  -0.00002  -0.00001  -0.00003   1.91078
   A277       1.90724   0.00000  -0.00003  -0.00017  -0.00020   1.90704
   A278       1.80159  -0.00001   0.00077   0.00409   0.00486   1.80645
   A279       1.75635   0.00002  -0.00029  -0.00242  -0.00271   1.75364
   A280       2.19048  -0.00002  -0.00005  -0.00114  -0.00119   2.18929
   A281       2.13009   0.00001   0.00009   0.00115   0.00124   2.13133
   A282       1.96253   0.00002  -0.00004   0.00001  -0.00003   1.96250
   A283       2.12281  -0.00001   0.00006  -0.00008  -0.00002   2.12278
   A284       2.11597   0.00000  -0.00002  -0.00062  -0.00064   2.11533
   A285       2.04141   0.00001  -0.00009   0.00064   0.00056   2.04197
   A286       2.68668   0.00002   0.00083   0.00472   0.00555   2.69223
   A287       1.67316  -0.00002  -0.00065  -0.00463  -0.00528   1.66788
   A288       1.92587   0.00000  -0.00016   0.00017   0.00000   1.92587
   A289       1.91663  -0.00003   0.00002  -0.00056  -0.00056   1.91607
   A290       1.91256  -0.00001   0.00002   0.00010   0.00013   1.91268
   A291       1.89045   0.00001   0.00010   0.00057   0.00068   1.89113
   A292       1.91207   0.00001  -0.00009  -0.00010  -0.00019   1.91188
   A293       1.90603   0.00002   0.00012  -0.00018  -0.00006   1.90597
   A294       1.36221  -0.00003  -0.00071  -0.00363  -0.00434   1.35787
   A295       1.14567   0.00001   0.00061   0.00245   0.00306   1.14874
   A296       1.93163  -0.00001   0.00000   0.00055   0.00056   1.93218
   A297       1.90695  -0.00001   0.00000   0.00002   0.00002   1.90697
   A298       1.90313   0.00000  -0.00004  -0.00070  -0.00074   1.90240
   A299       1.90957   0.00002  -0.00002  -0.00014  -0.00016   1.90941
   A300       1.89711   0.00000   0.00012   0.00046   0.00058   1.89769
   A301       1.91539  -0.00001  -0.00007  -0.00020  -0.00026   1.91512
   A302       1.65919  -0.00006  -0.00396   0.00063  -0.00332   1.65587
   A303       1.79505   0.00005   0.00206   0.00338   0.00542   1.80047
   A304       2.18970   0.00000  -0.00027   0.00053   0.00023   2.18993
   A305       2.12980   0.00000   0.00005  -0.00038  -0.00034   2.12946
   A306       1.96330   0.00000   0.00021  -0.00011   0.00013   1.96343
   A307       2.12550  -0.00002   0.00019   0.00013   0.00030   2.12580
   A308       2.12298   0.00001  -0.00002   0.00043   0.00043   2.12341
   A309       2.03221   0.00001  -0.00033  -0.00013  -0.00044   2.03178
   A310       1.29682   0.00001  -0.00109   0.00183   0.00073   1.29755
   A311       3.06154  -0.00007   0.00166  -0.00239  -0.00075   3.06078
   A312       1.91244  -0.00001   0.00035  -0.00106  -0.00068   1.91177
   A313       1.92673   0.00001  -0.00053   0.00087   0.00033   1.92706
   A314       1.90241  -0.00001   0.00016  -0.00090  -0.00071   1.90170
   A315       1.91082   0.00005  -0.00024   0.00140   0.00114   1.91196
   A316       1.91124   0.00002   0.00017   0.00104   0.00120   1.91244
   A317       1.90007  -0.00007   0.00008  -0.00135  -0.00128   1.89879
   A318       1.78019  -0.00001   0.00325  -0.00030   0.00294   1.78313
   A319       1.91536   0.00000   0.00007   0.00022   0.00028   1.91564
   A320       1.91510  -0.00002   0.00002   0.00041   0.00044   1.91554
   A321       1.92049   0.00000  -0.00017  -0.00024  -0.00042   1.92008
   A322       1.90697  -0.00001  -0.00015   0.00069   0.00054   1.90751
   A323       1.91018   0.00001   0.00015  -0.00038  -0.00023   1.90995
   A324       1.89555   0.00001   0.00009  -0.00070  -0.00062   1.89493
   A325       2.94348  -0.00002   0.00047  -0.00176  -0.00130   2.94219
   A326       3.35465   0.00002   0.00002   0.00050   0.00052   3.35518
   A327       3.07392   0.00002   0.00002   0.00027   0.00029   3.07421
   A328       3.19242  -0.00001   0.00015   0.00175   0.00189   3.19432
   A329       3.26285   0.00001   0.00048   0.00093   0.00142   3.26426
   A330       3.27178  -0.00001  -0.00073  -0.00377  -0.00450   3.26728
   A331       3.69036   0.00000   0.00339  -0.00068   0.00271   3.69308
   A332       3.22051   0.00000  -0.00033   0.00011  -0.00021   3.22029
   A333       2.98069   0.00001  -0.00121   0.00144   0.00023   2.98093
   A334       2.91337   0.00001  -0.00125   0.00168   0.00043   2.91379
   A335       3.22610   0.00002   0.00048   0.00123   0.00171   3.22781
   A336       3.07899   0.00000   0.00013   0.00042   0.00054   3.07953
   A337       3.09951   0.00001   0.00044   0.00129   0.00174   3.10124
   A338       3.04601   0.00000   0.00013   0.00062   0.00075   3.04676
    D1        2.75717   0.00001   0.00004  -0.00051  -0.00047   2.75670
    D2       -1.36146   0.00000  -0.00018  -0.00031  -0.00049  -1.36195
    D3        2.78204   0.00001  -0.00089   0.00100   0.00011   2.78215
    D4       -1.33658   0.00000  -0.00111   0.00119   0.00009  -1.33649
    D5        1.66123  -0.00001   0.00005  -0.00033  -0.00028   1.66095
    D6       -2.45740  -0.00002  -0.00016  -0.00013  -0.00029  -2.45769
    D7        1.84340  -0.00001   0.00008  -0.00096  -0.00088   1.84252
    D8       -2.27523  -0.00002  -0.00014  -0.00076  -0.00090  -2.27612
    D9        0.32425  -0.00001  -0.00029  -0.00092  -0.00121   0.32304
   D10        2.48881  -0.00002  -0.00050  -0.00073  -0.00123   2.48758
   D11        0.03242   0.00000  -0.00051   0.00045  -0.00006   0.03236
   D12        2.19698  -0.00001  -0.00072   0.00065  -0.00007   2.19691
   D13       -0.43846   0.00001  -0.00057   0.00089   0.00032  -0.43814
   D14        1.72610   0.00000  -0.00078   0.00108   0.00030   1.72640
   D15       -0.56167   0.00001  -0.00069   0.00123   0.00054  -0.56112
   D16        1.60289   0.00000  -0.00090   0.00143   0.00053   1.60342
   D17        0.20753   0.00001  -0.00057   0.00155   0.00097   0.20850
   D18        2.37209   0.00000  -0.00078   0.00174   0.00096   2.37304
   D19        0.14020   0.00001  -0.00062   0.00179   0.00117   0.14137
   D20        2.30476   0.00000  -0.00083   0.00198   0.00115   2.30591
   D21        2.40200   0.00000   0.00014  -0.00037  -0.00022   2.40177
   D22       -1.71663  -0.00001  -0.00007  -0.00017  -0.00024  -1.71687
   D23        2.15666   0.00001   0.00005  -0.00037  -0.00032   2.15634
   D24       -1.96197   0.00000  -0.00016  -0.00018  -0.00034  -1.96231
   D25        1.71726   0.00000   0.00012  -0.00049  -0.00036   1.71689
   D26       -2.40137   0.00000  -0.00009  -0.00029  -0.00038  -2.40175
   D27        1.41146   0.00000   0.00017  -0.00039  -0.00021   1.41125
   D28       -2.70716  -0.00001  -0.00005  -0.00019  -0.00023  -2.70739
   D29        2.36146   0.00002  -0.00031  -0.00035  -0.00067   2.36079
   D30       -1.75717   0.00001  -0.00053  -0.00016  -0.00069  -1.75785
   D31       -1.76133   0.00001   0.00110   0.00010   0.00120  -1.76013
   D32        0.40323   0.00001   0.00089   0.00030   0.00118   0.40441
   D33       -2.11246   0.00001   0.00045   0.00034   0.00079  -2.11167
   D34        0.05210   0.00000   0.00023   0.00054   0.00077   0.05287
   D35       -2.48473   0.00002   0.00076   0.00026   0.00101  -2.48371
   D36       -0.32017   0.00001   0.00055   0.00046   0.00100  -0.31917
   D37       -2.77317   0.00000   0.00064   0.00011   0.00074  -2.77242
   D38       -0.60861  -0.00001   0.00042   0.00031   0.00072  -0.60788
   D39       -2.14170   0.00002  -0.00043   0.00035  -0.00008  -2.14178
   D40        0.02286   0.00001  -0.00065   0.00054  -0.00010   0.02276
   D41       -2.38664   0.00002   0.00036  -0.00105  -0.00068  -2.38732
   D42       -0.22208   0.00001   0.00015  -0.00085  -0.00070  -0.22278
   D43        1.25969   0.00001   0.00153  -0.00232  -0.00080   1.25889
   D44       -1.92999   0.00000   0.00028  -0.00242  -0.00213  -1.93212
   D45        2.45364  -0.00001   0.00146  -0.00233  -0.00087   2.45277
   D46       -0.73604  -0.00001   0.00021  -0.00242  -0.00221  -0.73825
   D47        2.93997   0.00000   0.00137  -0.00269  -0.00132   2.93865
   D48       -0.24971  -0.00001   0.00013  -0.00278  -0.00266  -0.25237
   D49        2.86513   0.00001   0.00175  -0.00247  -0.00073   2.86440
   D50       -0.32455   0.00001   0.00050  -0.00257  -0.00207  -0.32662
   D51        2.04839   0.00000   0.00103  -0.00147  -0.00045   2.04794
   D52       -1.14129   0.00000  -0.00022  -0.00157  -0.00179  -1.14308
   D53        1.15177   0.00001   0.00025   0.00071   0.00096   1.15273
   D54       -2.03791   0.00000  -0.00099   0.00062  -0.00038  -2.03829
   D55        1.00853   0.00000   0.00040   0.00048   0.00087   1.00940
   D56       -2.18116   0.00000  -0.00085   0.00038  -0.00046  -2.18162
   D57        2.01570   0.00001   0.00100  -0.00032   0.00068   2.01638
   D58       -1.17399   0.00000  -0.00024  -0.00041  -0.00066  -1.17464
   D59        1.82037   0.00001   0.00099  -0.00032   0.00066   1.82104
   D60       -1.36931   0.00000  -0.00025  -0.00041  -0.00067  -1.36998
   D61       -2.27913   0.00000   0.00159  -0.00205  -0.00046  -2.27959
   D62        0.81437   0.00000   0.00034  -0.00214  -0.00179   0.81258
   D63       -2.41680   0.00001   0.00138  -0.00216  -0.00078  -2.41758
   D64        0.67671   0.00001   0.00014  -0.00226  -0.00212   0.67459
   D65       -2.81904   0.00001   0.00128  -0.00241  -0.00112  -2.82016
   D66        0.27447   0.00001   0.00003  -0.00250  -0.00246   0.27201
   D67       -2.99884   0.00002   0.00138  -0.00151  -0.00012  -2.99896
   D68        0.09467   0.00001   0.00014  -0.00161  -0.00146   0.09321
   D69       -2.14307   0.00002   0.00121  -0.00218  -0.00097  -2.14405
   D70        0.95043   0.00001  -0.00003  -0.00228  -0.00231   0.94812
   D71       -0.16926   0.00002   0.00188  -0.00278  -0.00089  -0.17014
   D72        2.92425   0.00001   0.00064  -0.00288  -0.00223   2.92202
   D73       -0.56615   0.00001   0.00167  -0.00277  -0.00109  -0.56724
   D74        2.52736   0.00000   0.00043  -0.00286  -0.00243   2.52493
   D75       -0.73161   0.00001   0.00228  -0.00260  -0.00032  -0.73193
   D76        2.36190   0.00001   0.00103  -0.00269  -0.00166   2.36024
   D77       -1.07002  -0.00002   0.00224  -0.00226  -0.00003  -1.07005
   D78        2.02348  -0.00002   0.00099  -0.00235  -0.00137   2.02211
   D79       -0.85148   0.00001   0.00126  -0.00317  -0.00191  -0.85339
   D80        2.24202   0.00000   0.00001  -0.00326  -0.00325   2.23877
   D81       -1.15370   0.00000   0.00163  -0.00397  -0.00235  -1.15605
   D82        1.93981  -0.00001   0.00038  -0.00406  -0.00369   1.93612
   D83       -1.53605   0.00000   0.00024   0.00133   0.00157  -1.53448
   D84       -2.61202  -0.00001   0.00023   0.00111   0.00134  -2.61068
   D85       -2.94872   0.00002  -0.00042   0.00224   0.00182  -2.94690
   D86        0.73567   0.00000   0.00027   0.00097   0.00124   0.73690
   D87        0.31101   0.00000   0.00015   0.00126   0.00142   0.31243
   D88       -0.06158   0.00000   0.00013   0.00073   0.00086  -0.06072
   D89       -0.40184   0.00001  -0.00006   0.00150   0.00144  -0.40041
   D90        0.17870   0.00001   0.00002   0.00231   0.00233   0.18103
   D91       -0.05955   0.00001   0.00003   0.00229   0.00231  -0.05724
   D92        2.40432   0.00000   0.00042   0.00102   0.00144   2.40576
   D93        2.05428   0.00001   0.00037   0.00124   0.00162   2.05590
   D94        1.66149   0.00001   0.00033   0.00118   0.00151   1.66301
   D95        1.37293   0.00001   0.00029   0.00146   0.00176   1.37470
   D96        2.05460   0.00001   0.00018   0.00125   0.00143   2.05603
   D97       -1.90933   0.00003   0.00139   0.00140   0.00277  -1.90657
   D98       -2.44560   0.00002   0.00059   0.00078   0.00136  -2.44423
   D99       -2.65604   0.00002   0.00107   0.00078   0.00184  -2.65420
   D100      -2.98304  -0.00002   0.00098   0.00087   0.00184  -2.98120
   D101      -2.91480   0.00001  -0.00002  -0.00111  -0.00109  -2.91590
   D102       2.84398  -0.00002   0.00029  -0.00222  -0.00197   2.84201
   D103      -2.91718   0.00002  -0.00036   0.00442   0.00406  -2.91312
   D104       1.18085   0.00002  -0.00034   0.00422   0.00387   1.18472
   D105       2.79488   0.00001  -0.00051   0.00412   0.00361   2.79849
   D106       0.60973   0.00001  -0.00049   0.00391   0.00342   0.61315
   D107       2.29535   0.00000  -0.00074   0.00421   0.00347   2.29882
   D108       0.11020   0.00000  -0.00072   0.00400   0.00329   0.11349
   D109       1.73839   0.00002  -0.00034   0.00305   0.00271   1.74110
   D110      -0.44676   0.00002  -0.00032   0.00285   0.00253  -0.44424
   D111       2.57792   0.00002  -0.00052   0.00413   0.00361   2.58153
   D112       0.39277   0.00002  -0.00050   0.00393   0.00343   0.39619
   D113       2.24153   0.00001  -0.00047   0.00434   0.00388   2.24540
   D114       0.05637   0.00001  -0.00045   0.00414   0.00369   0.06007
   D115      -1.61216  -0.00001   0.00013   0.00080   0.00093  -1.61122
   D116       2.48588  -0.00001   0.00015   0.00060   0.00075   2.48663
   D117      -1.77340   0.00000   0.00028   0.00113   0.00142  -1.77198
   D118       2.32464   0.00000   0.00030   0.00093   0.00123   2.32587
   D119      -2.73506  -0.00001   0.00007   0.00049   0.00057  -2.73450
   D120       1.36297  -0.00001   0.00009   0.00029   0.00038   1.36335
   D121      -2.69972   0.00000   0.00004   0.00111   0.00115  -2.69857
   D122       1.39831   0.00000   0.00006   0.00090   0.00096   1.39927
   D123       1.31754   0.00000  -0.00060   0.00364   0.00304   1.32058
   D124      -0.86762   0.00000  -0.00058   0.00344   0.00286  -0.86476
   D125       1.28867   0.00000  -0.00022   0.00396   0.00374   1.29241
   D126      -0.89648   0.00000  -0.00020   0.00375   0.00355  -0.89293
   D127       1.64426   0.00000  -0.00003   0.00427   0.00424   1.64850
   D128      -0.54089   0.00000  -0.00001   0.00406   0.00405  -0.53684
   D129       1.77344  -0.00001  -0.00008   0.00293   0.00285   1.77629
   D130      -0.41171  -0.00001  -0.00006   0.00273   0.00267  -0.40904
   D131       0.88936  -0.00001  -0.00005   0.00404   0.00399   0.89334
   D132      -1.29580  -0.00001  -0.00003   0.00383   0.00380  -1.29199
   D133      -0.95932  -0.00001  -0.00081   0.00463   0.00382  -0.95550
   D134       3.13871  -0.00001  -0.00079   0.00443   0.00363  -3.14084
   D135      -0.53221   0.00000  -0.00079   0.00420   0.00341  -0.52880
   D136      -2.71736   0.00000  -0.00078   0.00400   0.00322  -2.71414
   D137      -0.23984  -0.00001  -0.00169   0.00358   0.00189  -0.23795
   D138      -2.42499  -0.00001  -0.00167   0.00337   0.00170  -2.42329
   D139       0.16854   0.00001  -0.00153   0.00317   0.00164   0.17018
   D140      -2.01661   0.00001  -0.00151   0.00297   0.00146  -2.01515
   D141      -0.31195   0.00000  -0.00026   0.00436   0.00410  -0.30784
   D142      -2.49710   0.00000  -0.00024   0.00416   0.00392  -2.49318
   D143      -0.06075   0.00001  -0.00075   0.00508   0.00434  -0.05641
   D144      -2.24590   0.00001  -0.00073   0.00488   0.00416  -2.24174
   D145      -2.48072   0.00000  -0.00017   0.00161   0.00144  -2.47929
   D146      -2.73065  -0.00001  -0.00007   0.00132   0.00125  -2.72940
   D147      -2.40662   0.00000   0.00071  -0.00051   0.00019  -2.40642
   D148       2.99449   0.00000  -0.00025   0.00244   0.00219   2.99667
   D149       2.60913   0.00000  -0.00033   0.00320   0.00286   2.61199
   D150       1.51709  -0.00001  -0.00013  -0.00036  -0.00049   1.51659
   D151       2.61824   0.00000  -0.00007   0.00000  -0.00007   2.61817
   D152       2.99180   0.00000  -0.00011   0.00037   0.00026   2.99206
   D153       1.16995   0.00001  -0.00137   0.00418   0.00281   1.17276
   D154       1.23722   0.00000  -0.00060   0.00320   0.00260   1.23982
   D155       1.63012   0.00000  -0.00024   0.00307   0.00283   1.63295
   D156       1.71142  -0.00001  -0.00021   0.00128   0.00106   1.71248
   D157       0.89021  -0.00001  -0.00026   0.00248   0.00221   0.89243
   D158      -0.99752  -0.00001  -0.00028   0.00374   0.00345  -0.99407
   D159      -0.67400   0.00000  -0.00035   0.00341   0.00307  -0.67093
   D160      -0.71542   0.00000  -0.00085   0.00273   0.00188  -0.71353
   D161      -0.40670   0.00003  -0.00105   0.00221   0.00116  -0.40553
   D162      -0.29417   0.00001  -0.00030   0.00377   0.00348  -0.29069
   D163      -0.01558   0.00001  -0.00038   0.00401   0.00363  -0.01195
   D164      -1.29404   0.00001   0.00013   0.00385   0.00397  -1.29007
   D165       1.65689   0.00001  -0.00024   0.00182   0.00158   1.65847
   D166      -1.66418   0.00000   0.00020   0.00342   0.00362  -1.66055
   D167       1.28675   0.00000  -0.00016   0.00140   0.00123   1.28799
   D168      -1.74165   0.00001   0.00044   0.00277   0.00321  -1.73844
   D169       1.20928   0.00000   0.00007   0.00075   0.00082   1.21010
   D170      -1.99887   0.00003  -0.00028   0.00390   0.00362  -1.99525
   D171       0.95206   0.00003  -0.00065   0.00188   0.00123   0.95329
   D172      -2.01446   0.00001   0.00021   0.00399   0.00419  -2.01026
   D173       0.93647   0.00001  -0.00016   0.00196   0.00180   0.93827
   D174      -2.31659   0.00000   0.00035   0.00384   0.00419  -2.31240
   D175       0.63434   0.00000  -0.00001   0.00182   0.00180   0.63614
   D176       1.97806  -0.00001   0.00040   0.00105   0.00145   1.97951
   D177      -1.35419  -0.00001   0.00003  -0.00098  -0.00095  -1.35514
   D178       0.83135   0.00000   0.00053   0.00162   0.00216   0.83351
   D179      -2.50091   0.00000   0.00017  -0.00040  -0.00024  -2.50114
   D180       0.36732   0.00001   0.00066   0.00189   0.00255   0.36987
   D181      -2.96493   0.00001   0.00029  -0.00013   0.00015  -2.96478
   D182      -3.11531  -0.00001   0.00002   0.00411   0.00412  -3.11119
   D183      -0.16438  -0.00001  -0.00035   0.00208   0.00173  -0.16265
   D184       2.90333   0.00000   0.00034   0.00432   0.00466   2.90799
   D185      -0.42892   0.00000  -0.00002   0.00229   0.00227  -0.42666
   D186       3.05897   0.00000   0.00070   0.00409   0.00479   3.06376
   D187      -0.27329  -0.00001   0.00034   0.00206   0.00240  -0.27089
   D188       2.97078  -0.00002   0.00068   0.00231   0.00299   2.97377
   D189      -0.36147  -0.00002   0.00032   0.00028   0.00059  -0.36088
   D190       2.45719  -0.00001   0.00027   0.00449   0.00476   2.46195
   D191      -0.87506  -0.00001  -0.00009   0.00247   0.00237  -0.87270
   D192       0.32913  -0.00001   0.00092   0.00533   0.00625   0.33539
   D193      -3.00312  -0.00001   0.00056   0.00330   0.00386  -2.99926
   D194       0.63359   0.00001   0.00035   0.00599   0.00635   0.63994
   D195      -2.69866   0.00001  -0.00002   0.00396   0.00396  -2.69470
   D196       0.42664   0.00002  -0.00026   0.00672   0.00645   0.43309
   D197      -2.90562   0.00002  -0.00063   0.00469   0.00406  -2.90155
   D198       1.09837   0.00001   0.00018   0.00611   0.00630   1.10466
   D199      -2.23389   0.00001  -0.00018   0.00408   0.00391  -2.22998
   D200       1.42953   0.00001  -0.00025   0.00665   0.00641   1.43594
   D201      -1.90272   0.00001  -0.00062   0.00462   0.00401  -1.89871
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   D208       1.19746   0.00002   0.00187   0.00242   0.00429   1.20175
   D209      -1.01517   0.00000   0.00159   0.00052   0.00211  -1.01307
   D210       2.11497   0.00002   0.00092   0.00342   0.00434   2.11932
   D211      -0.09766   0.00000   0.00064   0.00152   0.00216  -0.09550
   D212       2.23221   0.00002   0.00087   0.00386   0.00473   2.23694
   D213       0.01957   0.00000   0.00059   0.00196   0.00255   0.02213
   D214      -2.22877   0.00002   0.00135   0.00374   0.00509  -2.22367
   D215       1.84178   0.00000   0.00107   0.00184   0.00291   1.84469
   D216      -2.39182   0.00001   0.00165   0.00251   0.00415  -2.38767
   D217       1.67873   0.00000   0.00136   0.00061   0.00197   1.68070
   D218      -1.99758   0.00000   0.00216   0.00075   0.00291  -1.99467
   D219       2.07297  -0.00001   0.00187  -0.00114   0.00073   2.07370
   D220      -2.09742   0.00001   0.00371  -0.00272   0.00098  -2.09644
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   D222      -2.88699   0.00001   0.00141   0.00256   0.00396  -2.88303
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   D224       3.05919   0.00002   0.00124   0.00272   0.00395   3.06314
   D225       0.84655   0.00001   0.00096   0.00082   0.00177   0.84832
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   D228      -2.66530   0.00003   0.00069   0.00449   0.00517  -2.66013
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   D230      -1.57062   0.00003   0.00045   0.00351   0.00396  -1.56666
   D231       2.49992   0.00002   0.00016   0.00162   0.00178   2.50170
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   D285      -2.63567  -0.00001   0.00128   0.00291   0.00418  -2.63149
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   D291      -2.97628   0.00000   0.00175   0.00184   0.00359  -2.97269
   D292       2.03749   0.00002   0.00089   0.00206   0.00295   2.04044
   D293      -2.18010   0.00001   0.00096   0.00292   0.00388  -2.17622
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   D299      -0.20600   0.00000   0.00163   0.00190   0.00353  -0.20247
   D300      -1.88252   0.00000   0.00155   0.00050   0.00205  -1.88047
   D301       0.18308   0.00000   0.00161   0.00136   0.00297   0.18605
   D302      -1.81836   0.00001   0.00172  -0.00015   0.00158  -1.81678
   D303       0.24724   0.00001   0.00179   0.00071   0.00250   0.24974
   D304      -2.61604   0.00000   0.00157   0.00007   0.00164  -2.61439
   D305      -0.55044   0.00000   0.00163   0.00093   0.00257  -0.54787
   D306      -2.74006   0.00000   0.00157  -0.00048   0.00110  -2.73896
   D307      -0.67446   0.00000   0.00164   0.00038   0.00202  -0.67244
   D308       1.51972   0.00002   0.00050   0.00204   0.00255   1.52226
   D309      -2.69787   0.00002   0.00057   0.00290   0.00347  -2.69440
   D310       2.62019   0.00000   0.00050   0.00191   0.00241   2.62259
   D311      -1.59740   0.00000   0.00057   0.00277   0.00333  -1.59407
   D312       3.00069   0.00001   0.00077   0.00302   0.00378   3.00448
   D313      -1.21689   0.00001   0.00083   0.00388   0.00471  -1.21219
   D314      -0.46643   0.00000  -0.00038   0.00069   0.00032  -0.46612
   D315       1.59917   0.00000  -0.00032   0.00155   0.00124   1.60041
   D316      -0.30693   0.00000   0.00047   0.00041   0.00088  -0.30605
   D317       1.75867  -0.00001   0.00053   0.00127   0.00180   1.76047
   D318       0.11961  -0.00002   0.00055   0.00052   0.00108   0.12069
   D319       2.18521  -0.00002   0.00061   0.00138   0.00200   2.18721
   D320       0.25315   0.00000   0.00056   0.00093   0.00149   0.25464
   D321       2.31875  -0.00001   0.00063   0.00179   0.00241   2.32117
   D322      -0.55464  -0.00001   0.00120   0.00025   0.00145  -0.55320
   D323       1.51096  -0.00001   0.00126   0.00111   0.00237   1.51333
   D324      -0.59721  -0.00001   0.00051   0.00059   0.00110  -0.59612
   D325       1.46839  -0.00001   0.00058   0.00145   0.00202   1.47041
   D326       0.09719  -0.00001   0.00258  -0.00052   0.00207   0.09926
   D327       2.27001  -0.00001   0.00182   0.00018   0.00202   2.27202
   D328       0.40329  -0.00001   0.00231  -0.00034   0.00197   0.40527
   D329       2.57610  -0.00001   0.00155   0.00036   0.00192   2.57802
   D330       0.76898   0.00000   0.00247  -0.00032   0.00214   0.77112
   D331       2.94179   0.00000   0.00171   0.00038   0.00208   2.94388
   D332       1.04845  -0.00002   0.00248  -0.00029   0.00218   1.05063
   D333      -3.06192  -0.00002   0.00172   0.00041   0.00212  -3.05980
   D334       0.34187  -0.00003   0.00181  -0.00055   0.00128   0.34315
   D335       2.51468  -0.00004   0.00106   0.00015   0.00123   2.51591
   D336       0.73464  -0.00003   0.00189  -0.00032   0.00155   0.73619
   D337       2.90745  -0.00003   0.00113   0.00038   0.00150   2.90895
   D338      -2.31951   0.00000   0.00247  -0.00053   0.00194  -2.31757
   D339      -0.14669   0.00000   0.00172   0.00017   0.00188  -0.14481
   D340      -1.94308   0.00000   0.00218  -0.00001   0.00215  -1.94093
   D341       0.22973   0.00000   0.00142   0.00069   0.00210   0.23183
   D342      -1.89838   0.00000   0.00208   0.00166   0.00372  -1.89465
   D343       0.27443   0.00000   0.00133   0.00236   0.00367   0.27810
   D344      -1.60064  -0.00001   0.00217   0.00202   0.00417  -1.59647
   D345       0.57217  -0.00001   0.00141   0.00273   0.00412   0.57629
   D346      -1.57226   0.00000   0.00199  -0.00053   0.00144  -1.57082
   D347       0.60056   0.00000   0.00123   0.00017   0.00139   0.60194
   D348      -1.27213   0.00000   0.00187  -0.00001   0.00185  -1.27028
   D349       0.90069   0.00000   0.00111   0.00070   0.00179   0.90248
   D350       1.86097   0.00001   0.00288   0.00103   0.00389   1.86486
   D351      -2.24940   0.00001   0.00213   0.00173   0.00384  -2.24556
   D352       2.29465   0.00000   0.00309   0.00086   0.00394   2.29859
   D353      -1.81572   0.00000   0.00234   0.00156   0.00389  -1.81184
   D354       2.54320   0.00001   0.00399   0.00177   0.00579   2.54899
   D355      -1.56717   0.00001   0.00323   0.00247   0.00574  -1.56143
   D356      -3.10724   0.00002   0.00440   0.00082   0.00528  -3.10196
   D357      -0.93443   0.00002   0.00365   0.00152   0.00523  -0.92920
   D358       2.61751   0.00000   0.00290   0.00007   0.00297   2.62048
   D359      -1.49287   0.00000   0.00214   0.00077   0.00291  -1.48995
   D360       1.63395   0.00002   0.00131   0.00027   0.00159   1.63554
   D361      -2.47642   0.00002   0.00056   0.00097   0.00153  -2.47489
   D362       1.80918   0.00003   0.00165  -0.00009   0.00158   1.81076
   D363      -2.30119   0.00003   0.00090   0.00061   0.00153  -2.29966
   D364       2.74757   0.00001   0.00057   0.00065   0.00122   2.74879
   D365      -1.36280   0.00001  -0.00019   0.00135   0.00117  -1.36163
   D366       2.74618   0.00001   0.00209  -0.00003   0.00206   2.74824
   D367      -1.36420   0.00000   0.00134   0.00067   0.00201  -1.36219
   D368       0.06391   0.00000   0.00050   0.00136   0.00186   0.06577
   D369      -2.48391  -0.00001   0.00036  -0.02619  -0.02583  -2.50974
   D370       0.46289   0.00001   0.00045   0.00156   0.00202   0.46491
   D371      -2.08492   0.00000   0.00031  -0.02599  -0.02568  -2.11060
   D372       0.67516   0.00001   0.00065   0.00137   0.00203   0.67719
   D373      -1.87265   0.00000   0.00050  -0.02618  -0.02567  -1.89832
   D374       0.94596  -0.00001   0.00099   0.00052   0.00154   0.94750
   D375      -1.60185  -0.00002   0.00085  -0.02703  -0.02616  -1.62801
   D376       0.70474   0.00000   0.00008   0.00157   0.00167   0.70641
   D377      -1.84307  -0.00001  -0.00006  -0.02598  -0.02603  -1.86910
   D378       1.04433   0.00001   0.00001   0.00172   0.00173   1.04606
   D379      -1.50348   0.00000  -0.00014  -0.02584  -0.02597  -1.52945
   D380      -2.75134   0.00003   0.00127   0.00194   0.00323  -2.74811
   D381       0.98403   0.00002   0.00113  -0.02561  -0.02447   0.95956
   D382      -2.19683   0.00001   0.00099   0.00088   0.00189  -2.19495
   D383       1.53854   0.00000   0.00085  -0.02668  -0.02581   1.51273
   D384      -1.96399   0.00001   0.00028   0.00245   0.00274  -1.96125
   D385       1.77138   0.00000   0.00014  -0.02510  -0.02495   1.74643
   D386      -1.63495   0.00001  -0.00002   0.00266   0.00264  -1.63231
   D387       2.10042   0.00000  -0.00017  -0.02489  -0.02506   2.07537
   D388      -1.67872   0.00000   0.00067  -0.00093  -0.00025  -1.67897
   D389       2.05665  -0.00001   0.00053  -0.02848  -0.02795   2.02870
   D390      -1.10881  -0.00001  -0.00059   0.00146   0.00084  -1.10797
   D391       2.62657  -0.00002  -0.00073  -0.02610  -0.02686   2.59970
   D392       1.79629   0.00002   0.00026   0.00161   0.00187   1.79816
   D393      -0.75152   0.00001   0.00011  -0.02594  -0.02583  -0.77735
   D394       2.09579   0.00002   0.00005   0.00162   0.00167   2.09745
   D395      -0.45202   0.00001  -0.00009  -0.02593  -0.02603  -0.47806
   D396       2.04176   0.00003  -0.00014   0.00208   0.00193   2.04369
   D397      -0.50606   0.00002  -0.00029  -0.02547  -0.02577  -0.53182
   D398       2.23835   0.00005   0.00019   0.00419   0.00436   2.24271
   D399      -0.30946   0.00004   0.00005  -0.02336  -0.02334  -0.33280
   D400       2.49593   0.00002   0.00012   0.00135   0.00147   2.49740
   D401      -0.05188   0.00001  -0.00002  -0.02620  -0.02623  -0.07811
   D402      -1.54263   0.00004  -0.00096   0.00097   0.00002  -1.54261
   D403       2.19274   0.00003  -0.00110  -0.02658  -0.02768   2.16507
   D404      -2.64000   0.00000  -0.00089   0.00071  -0.00018  -2.64018
   D405       1.09538  -0.00001  -0.00103  -0.02684  -0.02788   1.06750
   D406      -2.99000   0.00000   0.00012  -0.00001   0.00010  -2.98990
   D407       0.74537  -0.00001  -0.00002  -0.02756  -0.02760   0.71777
   D408       1.92567  -0.00001   0.00062   0.00032   0.00094   1.92661
   D409       2.42140   0.00000   0.00058   0.00134   0.00192   2.42332
   D410       2.64732   0.00000   0.00037   0.00122   0.00159   2.64891
   D411       2.87706  -0.00002   0.00078   0.00030   0.00109   2.87815
   D412       2.85131   0.00000   0.00050   0.00282   0.00329   2.85460
   D413      -2.94503   0.00003   0.00000   0.00335   0.00335  -2.94168
   D414      -0.75100   0.00000   0.00036   0.00108   0.00145  -0.74955
   D415      -0.36974   0.00000   0.00037   0.00056   0.00092  -0.36881
   D416      -0.06059   0.00001   0.00025   0.00172   0.00197  -0.05862
   D417       0.24822   0.00000   0.00025   0.00142   0.00167   0.24989
   D418      -0.23391   0.00000   0.00047  -0.00119  -0.00073  -0.23464
   D419       0.07769   0.00000   0.00040  -0.00141  -0.00102   0.07667
   D420      -2.56087   0.00002   0.00007   0.00126   0.00133  -2.55954
   D421      -2.17840   0.00001  -0.00001   0.00092   0.00091  -2.17749
   D422      -1.93764   0.00001  -0.00020   0.00140   0.00120  -1.93644
   D423      -1.62541   0.00001  -0.00008   0.00180   0.00172  -1.62369
   D424      -1.96092   0.00000   0.00028   0.00024   0.00053  -1.96040
   D425       1.30938   0.00001  -0.00206   0.00091  -0.00113   1.30825
   D426       2.47182  -0.00001  -0.00121   0.00032  -0.00088   2.47094
   D427       2.94690   0.00003  -0.00085  -0.00002  -0.00084   2.94606
   D428      -3.07557   0.00000   0.00036   0.00021   0.00057  -3.07500
   D429       0.03061  -0.00001  -0.00125  -0.00153  -0.00277   0.02784
   D430       0.03591   0.00005   0.00081   0.00240   0.00322   0.03912
   D431      -3.14110   0.00004  -0.00079   0.00067  -0.00012  -3.14122
   D432      -0.08689   0.00000   0.00180  -0.00631  -0.00451  -0.09140
   D433       2.01347  -0.00002   0.00133  -0.00553  -0.00420   2.00927
   D434      -2.18359   0.00001   0.00158  -0.00598  -0.00439  -2.18799
   D435       3.08830   0.00002   0.00333  -0.00465  -0.00132   3.08698
   D436      -1.09452   0.00000   0.00285  -0.00386  -0.00101  -1.09553
   D437       0.99160   0.00003   0.00311  -0.00431  -0.00121   0.99039
   D438      -2.37768   0.00002   0.00122   0.00447   0.00569  -2.37199
   D439      -0.28744   0.00000   0.00115   0.00416   0.00531  -0.28213
   D440       1.81977   0.00001   0.00126   0.00431   0.00557   1.82534
   D441       0.73027   0.00000  -0.00031   0.00283   0.00252   0.73280
   D442       2.82052  -0.00002  -0.00038   0.00251   0.00214   2.82266
   D443      -1.35546   0.00000  -0.00027   0.00266   0.00240  -1.35306
   D444       0.00118   0.00000   0.00002   0.00067   0.00069   0.00187
   D445       3.11360   0.00000   0.00051   0.00182   0.00233   3.11594
   D446      -3.11859  -0.00001   0.00006   0.00037   0.00044  -3.11816
   D447      -0.00617  -0.00001   0.00055   0.00152   0.00207  -0.00410
   D448       2.42195   0.00000   0.00013   0.00093   0.00106   2.42301
   D449      -1.77711   0.00000   0.00010   0.00110   0.00121  -1.77591
   D450       0.33111  -0.00002   0.00008   0.00083   0.00090   0.33201
   D451      -0.69187   0.00000  -0.00033  -0.00016  -0.00050  -0.69236
   D452       1.39226   0.00000  -0.00036   0.00001  -0.00036   1.39191
   D453      -2.78270  -0.00003  -0.00039  -0.00027  -0.00066  -2.78336
   D454       2.06617  -0.00001  -0.00002  -0.00181  -0.00183   2.06434
   D455      -2.13236  -0.00001  -0.00001  -0.00181  -0.00181  -2.13417
   D456      -0.03853  -0.00002   0.00000  -0.00202  -0.00202  -0.04056
   D457      -1.10315  -0.00001   0.00044  -0.00071  -0.00027  -1.10343
   D458       0.98150  -0.00001   0.00046  -0.00071  -0.00025   0.98125
   D459       3.07533  -0.00001   0.00046  -0.00093  -0.00046   3.07486
   D460      -3.08877   0.00001   0.00096   0.00487   0.00583  -3.08294
   D461      -0.03281   0.00002   0.00028   0.00401   0.00428  -0.02853
   D462       0.06685  -0.00003   0.00083   0.00326   0.00409   0.07094
   D463       3.12281  -0.00002   0.00015   0.00240   0.00255   3.12535
   D464       1.94886  -0.00001  -0.00164  -0.00646  -0.00810   1.94076
   D465      -2.25162  -0.00002  -0.00161  -0.00600  -0.00761  -2.25923
   D466      -0.15800  -0.00002  -0.00144  -0.00651  -0.00795  -0.16595
   D467      -1.11059  -0.00002  -0.00099  -0.00558  -0.00657  -1.11715
   D468       0.97211  -0.00003  -0.00095  -0.00512  -0.00607   0.96604
   D469       3.06574  -0.00003  -0.00079  -0.00563  -0.00641   3.05932
   D470      -1.65481   0.00001   0.00163   0.00622   0.00786  -1.64696
   D471       0.44898   0.00003   0.00160   0.00642   0.00802   0.45700
   D472       2.54240   0.00001   0.00150   0.00577   0.00727   2.54966
   D473       1.40498   0.00001   0.00098   0.00537   0.00636   1.41134
   D474      -2.77441   0.00003   0.00096   0.00557   0.00652  -2.76789
   D475      -0.68100   0.00002   0.00085   0.00492   0.00577  -0.67523
   D476       0.00382   0.00009   0.00147   0.00653   0.00801   0.01183
   D477      -3.05933   0.00008   0.00354  -0.00019   0.00334  -3.05599
   D478       3.11559   0.00008   0.00106   0.00788   0.00895   3.12454
   D479       0.05244   0.00007   0.00313   0.00116   0.00429   0.05673
   D480      -0.32870   0.00001   0.00174  -0.00389  -0.00215  -0.33085
   D481       1.77708   0.00008   0.00133  -0.00229  -0.00096   1.77612
   D482      -2.41992  -0.00001   0.00122  -0.00397  -0.00277  -2.42270
   D483       2.73832   0.00002  -0.00021   0.00252   0.00232   2.74063
   D484      -1.43909   0.00009  -0.00061   0.00412   0.00351  -1.43558
   D485       0.64709   0.00000  -0.00073   0.00243   0.00170   0.64879
   D486      -0.08191   0.00000  -0.00559   0.00383  -0.00176  -0.08367
   D487       2.01366  -0.00002  -0.00572   0.00507  -0.00065   2.01301
   D488      -2.18483  -0.00002  -0.00571   0.00431  -0.00139  -2.18622
   D489       3.13414  -0.00001  -0.00366  -0.00255  -0.00622   3.12792
   D490      -1.05347  -0.00003  -0.00379  -0.00131  -0.00511  -1.05858
   D491       1.03122  -0.00003  -0.00378  -0.00207  -0.00585   1.02538
         Item               Value     Threshold  Converged?
 Maximum Force            0.000170     0.000450     YES
 RMS     Force            0.000020     0.000300     YES
 Maximum Displacement     0.016739     0.001800     NO 
 RMS     Displacement     0.002271     0.001200     NO 
 Predicted change in Energy=-5.962683D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:37:31 2016, MaxMem=  2952790016 cpu:        10.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.833507   -0.596065    1.671012
      2          6           0       -2.067331    1.112544   -1.365601
      3          8           0       -2.614621    0.132808   -1.901320
      4          7           0       -0.776488    1.159656   -0.937486
      5          1           0       -2.616314    2.053654   -1.161664
      6          6           0       -0.238178    2.329695   -0.242250
      7          1           0       -0.991301    3.129671   -0.228117
      8          1           0        0.031157    2.060363    0.792223
      9          1           0        0.665836    2.688785   -0.760764
     10          6           0        0.133997    0.024393   -1.105322
     11          1           0        0.699412   -0.124169   -0.172305
     12          1           0       -0.447291   -0.879656   -1.329214
     13          1           0        0.845963    0.218453   -1.924527
     14          6           0       -2.002042   -4.008463    2.609533
     15          8           0       -2.118740   -3.861153    3.838191
     16          7           0       -2.948605   -3.698243    1.682175
     17          1           0       -1.072751   -4.400347    2.150217
     18          6           0       -4.246796   -3.136018    2.063279
     19          1           0       -4.515288   -2.341876    1.348374
     20          1           0       -5.029320   -3.912733    2.039330
     21          1           0       -4.179361   -2.714356    3.074429
     22          6           0       -2.707563   -3.878098    0.250171
     23          1           0       -3.422724   -4.604847   -0.168944
     24          1           0       -2.839325   -2.915892   -0.271604
     25          1           0       -1.682118   -4.239477    0.090880
     26          6           0        1.544072    0.383784    2.619764
     27          8           0        1.367063    1.396118    3.318303
     28          7           0        1.171770   -0.881460    2.955365
     29          1           0        2.026938    0.432454    1.623867
     30          6           0        1.486284   -2.026088    2.100082
     31          1           0        2.232996   -2.675306    2.587523
     32          1           0        0.575190   -2.619146    1.920823
     33          1           0        1.880654   -1.670062    1.138643
     34          6           0        0.533064   -1.168458    4.242129
     35          1           0        1.283028   -1.480700    4.988931
     36          1           0        0.016472   -0.268246    4.598640
     37          1           0       -0.192251   -1.984006    4.107783
     38          6           0       -4.607521    1.107433    2.914018
     39          8           0       -4.865091    1.684868    1.843911
     40          7           0       -3.528466    1.354723    3.704729
     41          1           0       -5.246676    0.293202    3.311057
     42          6           0       -2.535869    2.377844    3.359847
     43          1           0       -2.612758    2.618542    2.291620
     44          1           0       -2.700889    3.290215    3.956356
     45          1           0       -1.530444    1.988486    3.578501
     46          6           0       -3.249199    0.552499    4.895482
     47          1           0       -4.064539   -0.165468    5.059223
     48          1           0       -2.301586    0.003594    4.761440
     49          1           0       -3.154175    1.206677    5.777166
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.492140   0.000000
     3  O    3.728666   1.243545   0.000000
     4  N    3.317244   1.360801   2.315626   0.000000
     5  H    3.957000   1.108449   2.058335   2.057778   0.000000
     6  C    3.842619   2.467626   3.636799   1.463599   2.564577
     7  H    4.265808   2.553529   3.796836   2.104830   2.161016
     8  H    3.362417   3.155665   4.239196   2.110796   3.290414
     9  H    4.790667   3.212564   4.312225   2.109447   3.366990
    10  C    3.458912   2.469345   2.863611   1.464914   3.418375
    11  H    3.167993   3.257036   3.746778   2.100473   4.088494
    12  H    3.317134   2.568019   2.459615   2.102526   3.651992
    13  H    4.557510   3.098238   3.461721   2.119542   3.992153
    14  C    3.543118   6.483107   6.154118   6.386923   7.165788
    15  O    3.929227   7.198595   7.009965   7.058134   7.760868
    16  N    3.296525   5.762748   5.256418   5.931264   6.425119
    17  H    3.909085   6.613784   6.272305   6.366735   7.416554
    18  C    3.525506   5.878568   5.391406   6.284938   6.323877
    19  H    3.216194   5.029034   4.505232   5.609324   5.406207
    20  H    4.620516   6.754283   6.142140   7.257902   7.187957
    21  H    3.458290   6.230547   5.942460   6.533221   6.566698
    22  C    3.681644   5.284612   4.552463   5.524359   6.098138
    23  H    4.688431   5.996470   5.108770   6.389266   6.780223
    24  H    3.188577   4.245127   3.464251   4.616144   5.053546
    25  H    3.974190   5.560023   4.894415   5.570309   6.484218
    26  C    3.642564   5.427381   6.148001   4.317523   5.864851
    27  O    4.114123   5.815018   6.685374   4.771003   6.030734
    28  N    3.280656   5.756612   6.241225   4.807926   6.317785
    29  H    3.995386   5.114928   5.836164   3.866336   5.652191
    30  C    3.640065   5.872831   6.122864   4.949335   6.641881
    31  H    4.658291   6.961883   7.178760   6.015780   7.741787
    32  H    3.155484   5.631075   5.688314   4.927099   6.443794
    33  H    3.902804   5.440655   5.718322   4.402047   6.275364
    34  C    3.541036   6.588753   7.024470   5.827818   7.035735
    35  H    4.637235   7.637401   8.079024   6.807018   8.094834
    36  H    3.478634   6.466915   7.023743   5.772034   6.745656
    37  H    3.249300   6.562201   6.816017   5.973163   7.067237
    38  C    3.484556   4.976719   5.301794   5.432644   4.633726
    39  O    3.797770   4.296042   4.636837   4.972795   3.771800
    40  N    3.288536   5.282217   5.809990   5.400148   5.000231
    41  H    3.889765   5.714078   5.841431   6.227635   5.479345
    42  C    3.491362   4.914303   5.720687   4.800674   4.533832
    43  H    3.365425   3.992591   4.874384   3.990910   3.499182
    44  H    4.591113   5.785056   6.655001   5.673825   5.265963
    45  H    3.226494   5.049719   5.886205   4.652907   4.863386
    46  C    3.704132   6.396220   6.839251   6.364468   6.272402
    47  H    4.079570   6.848396   7.116206   6.966187   6.761752
    48  H    3.182677   6.230994   6.671361   6.011669   6.275744
    49  H    4.674884   7.225594   7.771966   7.123353   7.010993
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098797   0.000000
     8  H    1.102369   1.797202   0.000000
     9  H    1.102290   1.795605   1.791509   0.000000
    10  C    2.489543   3.417387   2.785037   2.738714   0.000000
    11  H    2.627816   3.667301   2.479729   2.874043   1.101039
    12  H    3.394872   4.193217   3.656928   3.781000   1.097874
    13  H    2.909083   3.837777   3.381904   2.736664   1.102566
    14  C    7.170505   7.747698   6.653357   7.957990   5.884449
    15  O    7.649387   8.165636   6.997452   8.473839   6.679119
    16  N    6.883739   7.355315   6.544657   7.734744   5.579480
    17  H    7.191237   7.897106   6.693544   7.858263   5.624332
    18  C    7.159504   7.423449   6.849732   8.126346   6.262554
    19  H    6.530493   6.696390   6.352887   7.523302   5.765042
    20  H    8.193202   8.428663   7.927268   9.157257   7.214544
    21  H    7.209421   7.431231   6.762756   8.208446   6.601222
    22  C    6.699033   7.230708   6.561991   7.451561   5.014106
    23  H    7.631159   8.107903   7.568234   8.382342   5.912439
    24  H    5.855170   6.321861   5.842475   6.628562   4.263919
    25  H    6.734238   7.408328   6.566215   7.364713   4.786415
    26  C    3.892828   4.698770   2.905122   4.184770   3.999218
    27  O    4.015707   4.598281   2.933759   4.336069   4.792759
    28  N    4.745968   5.559012   3.825507   5.178053   4.287975
    29  H    3.494663   4.451359   2.706448   3.553885   3.346374
    30  C    5.237665   6.175823   4.530669   5.575625   4.038288
    31  H    6.258143   7.212605   5.522477   6.514636   5.033019
    32  H    5.461820   6.334093   4.844327   5.947542   4.042339
    33  H    4.732269   5.757916   4.178123   4.907451   3.310191
    34  C    5.739473   6.385977   4.751741   6.318615   5.493395
    35  H    6.648190   7.324321   5.631932   7.129132   6.381653
    36  H    5.499851   5.988241   4.462223   6.155397   5.712673
    37  H    6.126411   6.751904   5.234478   6.802502   5.596121
    38  C    5.526944   5.199953   5.189164   6.619139   6.309522
    39  O    5.116267   4.624608   5.021980   6.195428   6.037055
    40  N    5.230221   5.005490   4.653121   6.269970   6.190316
    41  H    6.469803   6.219287   6.109247   7.568114   6.966226
    42  C    4.272798   3.977992   3.644600   5.227527   5.710048
    43  H    3.484617   3.039646   3.090314   4.480085   5.080697
    44  H    4.961435   4.523084   4.357562   5.826473   6.657534
    45  H    4.047779   4.010401   3.194856   4.913582   5.344737
    46  C    6.214577   6.163700   5.465448   7.203079   6.909020
    47  H    6.998035   6.946848   6.319520   8.024678   7.460923
    48  H    5.891122   6.031989   5.042486   6.819867   6.352275
    49  H    6.782151   6.666285   5.977020   7.715806   7.718712
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795586   0.000000
    13  H    1.791410   1.797984   0.000000
    14  C    5.488553   5.265018   6.821705   0.000000
    15  O    6.163693   6.195575   7.657779   1.242948   0.000000
    16  N    5.433335   4.823844   6.538161   1.360959   2.315949
    17  H    5.178839   4.989280   6.451227   1.108209   2.057688
    18  C    6.207579   5.571034   7.286375   2.469508   2.864394
    19  H    5.867179   5.084897   6.783081   3.268706   3.775027
    20  H    7.215463   6.445280   8.203524   3.081997   3.421993
    21  H    6.407244   6.056943   7.671038   2.575181   2.478837
    22  C    5.087037   4.073566   5.842824   2.466038   3.636054
    23  H    6.088390   4.906779   6.675926   3.177097   4.279087
    24  H    4.508463   3.314608   5.112497   3.193071   4.278221
    25  H    4.762007   3.850956   5.506923   2.549378   3.791584
    26  C    2.960932   4.599591   4.600573   5.645075   5.737618
    27  O    3.865407   5.483653   5.398677   6.408020   6.329298
    28  N    3.252527   4.580282   5.012914   4.468874   4.526082
    29  H    2.301823   4.069906   3.745878   6.076674   6.365921
    30  C    3.065975   4.100376   4.652467   4.044474   4.402805
    31  H    4.059166   5.074359   5.536813   4.439971   4.680600
    32  H    3.259068   3.825445   4.786648   3.007765   3.532159
    33  H    2.345997   3.483445   3.744340   4.765183   5.299396
    34  C    4.539322   5.664307   6.328435   4.142193   3.800768
    35  H    5.368346   6.578314   7.132605   4.779415   4.308456
    36  H    4.821729   5.977320   6.593682   4.692566   4.248106
    37  H    4.751127   5.553879   6.505189   3.101375   2.703280
    38  C    6.261451   6.265865   7.344542   5.749228   5.633381
    39  O    6.188815   6.013524   6.997688   6.418508   6.502150
    40  N    5.923974   6.310838   7.219091   5.682709   5.404674
    41  H    6.903910   6.778039   8.033504   5.433609   5.226904
    42  C    5.403999   6.079536   6.635086   6.452353   6.271195
    43  H    4.956193   5.480609   5.958110   6.662675   6.679999
    44  H    6.345542   7.099562   7.523342   7.454731   7.175997
    45  H    4.848103   5.786633   6.250091   6.093004   5.884880
    46  C    6.460021   6.974855   7.962064   5.251984   4.677192
    47  H    7.075720   7.376089   8.545946   5.002348   4.351453
    48  H    5.776171   6.427644   7.392928   4.562568   3.977699
    49  H    7.212314   7.885471   8.734630   6.209588   5.524006
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056901   0.000000
    18  C    1.465141   3.417696   0.000000
    19  H    2.098964   4.090393   1.101743   0.000000
    20  H    2.122014   3.988045   1.102817   1.791434   0.000000
    21  H    2.102657   3.653459   1.097620   1.797457   1.797211
    22  C    1.463245   2.560377   2.491442   2.614173   2.931356
    23  H    2.115033   3.307976   2.796314   2.935471   2.817205
    24  H    2.107432   3.345087   2.735162   2.400558   3.336193
    25  H    2.104553   2.153619   3.418413   3.634423   3.886769
    26  C    6.142163   5.473221   6.799473   6.764725   7.874418
    27  O    6.874185   6.396571   7.323302   7.242602   8.410314
    28  N    5.150997   4.250730   5.936304   6.087518   6.962848
    29  H    6.467000   5.765508   7.230962   7.111507   8.297231
    30  C    4.758044   3.491172   5.839649   6.056703   6.783525
    31  H    5.358642   3.754327   6.517269   6.869207   7.387353
    32  H    3.693038   2.437419   4.851700   5.130063   5.753081
    33  H    5.265993   4.147330   6.367858   6.434547   7.320420
    34  C    5.007513   4.171312   5.609433   5.936041   6.582058
    35  H    5.810236   4.704501   6.471357   6.900416   7.379747
    36  H    5.390949   4.924981   5.729540   5.949876   6.729961
    37  H    4.052119   3.232035   4.684705   5.141114   5.603189
    38  C    5.231058   6.588902   4.342897   3.789127   5.113224
    39  O    5.716377   7.176734   4.865322   4.072173   5.603418
    40  N    5.473520   6.447315   4.834987   4.493447   5.724701
    41  H    4.885286   6.387378   3.783683   3.366109   4.399366
    42  C    6.316942   7.039019   5.917011   5.499080   6.894375
    43  H    6.354997   7.187240   5.986416   5.395840   6.968570
    44  H    7.353353   8.065836   6.875320   6.466379   7.808907
    45  H    6.160041   6.562519   5.994581   5.712687   7.031043
    46  C    5.337087   6.066637   4.756230   4.749986   5.591487
    47  H    5.013009   5.945361   4.222921   4.325544   4.908417
    48  H    4.858405   5.265284   4.573956   4.695820   5.494364
    49  H    6.392921   6.994698   5.817711   5.836013   6.610290
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390711   0.000000
    23  H    3.829611   1.102396   0.000000
    24  H    3.610021   1.102475   1.789822   0.000000
    25  H    4.178969   1.098865   1.797418   1.795104   0.000000
    26  C    6.524024   6.469545   7.571817   6.201778   6.178843
    27  O    6.907843   7.337123   8.432944   7.012458   7.174517
    28  N    5.657587   5.598852   6.688371   5.535443   5.256066
    29  H    7.108073   6.548542   7.634618   6.203608   6.159066
    30  C    5.789870   4.943729   5.991397   5.012737   4.356002
    31  H    6.430936   5.596342   6.580913   5.827601   4.899794
    32  H    4.893427   3.892622   4.928839   4.068625   3.327101
    33  H    6.446829   5.168805   6.200691   5.081249   4.515866
    34  C    5.095123   5.812017   6.849423   5.899180   5.618813
    35  H    5.918186   6.642904   7.649057   6.835700   6.355615
    36  H    5.090353   6.273801   7.305069   6.235775   6.243059
    37  H    4.183095   4.979513   5.966168   5.201389   4.841731
    38  C    3.849042   5.963342   6.598374   5.427877   6.716959
    39  O    4.619262   6.175883   6.759625   5.454001   6.949985
    40  N    4.168734   6.323786   7.108657   5.875738   6.911149
    41  H    3.200088   5.763321   6.279179   5.378577   6.604604
    42  C    5.358454   6.988302   7.873808   6.426753   7.429937
    43  H    5.613096   6.810494   7.673837   6.103393   7.262353
    44  H    6.246483   8.069731   8.937066   7.510697   8.525025
    45  H    5.421031   6.846911   7.816400   6.370981   7.139609
    46  C    3.854060   6.442241   7.230265   6.236707   6.964407
    47  H    3.232557   6.225110   6.888668   6.122394   6.852584
    48  H    3.709353   5.965224   6.841298   5.843295   6.340467
    49  H    4.871374   7.523435   8.318783   7.326822   8.010080
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242621   0.000000
    28  N    1.360911   2.314568   0.000000
    29  H    1.107853   2.057959   2.056835   0.000000
    30  C    2.465946   3.634524   1.463079   2.561936   0.000000
    31  H    3.135871   4.226153   2.116457   3.260255   1.103024
    32  H    3.231848   4.324622   2.108492   3.392347   1.101791
    33  H    2.554465   3.796861   2.103542   2.162733   1.098475
    34  C    2.462451   2.850625   1.464949   3.413192   2.496502
    35  H    3.026119   3.327783   2.122935   3.941727   2.946898
    36  H    2.583535   2.496691   2.100261   3.658172   3.390154
    37  H    3.291724   3.805256   2.098625   4.115084   2.617272
    38  C    6.200997   5.995202   6.112088   6.792359   6.900428
    39  O    6.585753   6.410691   6.653199   7.008354   7.360487
    40  N    5.277359   4.910932   5.258734   6.003590   6.257195
    41  H    6.826445   6.705075   6.534738   7.468030   7.223456
    42  C    4.601078   4.024723   4.953105   5.255224   6.095845
    43  H    4.730862   4.288050   5.197424   5.172200   6.197694
    44  H    5.315404   4.532433   5.779476   5.996637   7.017210
    45  H    3.598179   2.968863   3.990845   4.347044   5.234803
    46  C    5.308748   4.950663   5.036393   6.209307   6.073562
    47  H    6.140779   5.913684   5.688391   7.018923   6.559730
    48  H    4.418190   4.180999   4.013655   5.363246   5.054739
    49  H    5.720128   5.150096   5.571057   6.685301   6.745781
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787726   0.000000
    33  H    1.798309   1.793545   0.000000
    34  C    2.810353   2.737651   3.420414   0.000000
    35  H    2.845397   3.348191   3.900991   1.103473   0.000000
    36  H    3.840769   3.606882   4.172750   1.097428   1.796256
    37  H    2.944641   2.403157   3.634734   1.099658   1.790583
    38  C    7.823579   6.460211   7.277558   5.776606   6.760345
    39  O    8.363427   6.937370   7.566904   6.559954   7.596798
    40  N    7.119251   5.984475   6.707660   4.811576   5.730556
    41  H    8.079668   6.656474   7.705363   6.033965   6.971300
    42  C    6.990914   6.059652   6.389441   4.772109   5.668002
    43  H    7.182876   6.142790   6.317612   5.295474   6.265494
    44  H    7.861575   7.056673   7.316720   5.515422   6.300748
    45  H    6.074246   5.330277   5.565381   3.829460   4.684035
    46  C    6.767559   5.790844   6.735652   4.206432   4.968270
    47  H    7.215784   6.115323   7.278741   4.776147   5.507381
    48  H    5.697793   4.819098   5.780736   3.111049   3.886429
    49  H    7.366493   6.589117   7.425700   4.646863   5.247102
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796758   0.000000
    38  C    5.109967   5.520569   0.000000
    39  O    5.935726   6.357766   1.242941   0.000000
    40  N    3.999962   4.737076   1.360418   2.314780   0.000000
    41  H    5.447369   5.600684   1.108662   2.057878   2.057680
    42  C    3.879541   5.007762   2.470718   2.864184   1.466618
    43  H    4.535277   5.508243   2.578742   2.478950   2.105384
    44  H    4.523187   5.842396   3.079976   3.423935   2.119983
    45  H    2.920012   4.225114   3.268975   3.771055   2.099925
    46  C    3.380288   4.049599   2.465602   3.633931   1.462684
    47  H    4.108206   4.382572   2.552844   3.795110   2.105471
    48  H    2.339614   2.971045   3.154167   4.232047   2.108891
    49  H    3.690166   4.662648   3.212426   4.315831   2.111162
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420027   0.000000
    43  H    3.658413   1.097705   0.000000
    44  H    3.984912   1.102486   1.797292   0.000000
    45  H    4.093396   1.100131   1.795672   1.790870   0.000000
    46  C    2.562724   2.489759   3.384330   2.945792   2.598195
    47  H    2.159609   3.419524   4.185452   3.875254   3.640562
    48  H    3.295609   2.767023   3.610373   3.407269   2.435940
    49  H    3.360757   2.756332   3.799411   2.803916   2.842861
                   46         47         48         49
    46  C    0.000000
    47  H    1.098666   0.000000
    48  H    1.103283   1.795901   0.000000
    49  H    1.101973   1.796381   1.790535   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2142545      0.1942254      0.1848036
 Leave Link  202 at Mon Nov 14 03:37:31 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.8858502890 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840203592 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.7018299298 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4038
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.26D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     224
 GePol: Fraction of low-weight points (<1% of avg)   =       5.55%
 GePol: Cavity surface area                          =    467.807 Ang**2
 GePol: Cavity volume                                =    458.178 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040075568 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.6978223730 Hartrees.
 Leave Link  301 at Mon Nov 14 03:37:31 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:37:32 2016, MaxMem=  2952790016 cpu:        13.2
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:37:33 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000180   -0.000816    0.000660
         Rot=    1.000000   -0.000001    0.000029    0.000069 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 03:37:33 2016, MaxMem=  2952790016 cpu:         8.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48916332.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   1911.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.49D-15 for   2553   1460.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.22D-15 for   2316.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.58D-11 for   1460   1429.
 E= -1013.45129597501    
 DIIS: error= 1.77D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45129597501     IErMin= 1 ErrMin= 1.77D-04
 ErrMax= 1.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.13D-05 BMatP= 5.13D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.77D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.31D-05 MaxDP=1.39D-03              OVMax= 2.60D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.31D-05    CP:  1.00D+00
 E= -1013.45138362686     Delta-E=       -0.000087651849 Rises=F Damp=F
 DIIS: error= 4.61D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45138362686     IErMin= 2 ErrMin= 4.61D-05
 ErrMax= 4.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-06 BMatP= 5.13D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.357D-01 0.964D+00
 Coeff:      0.357D-01 0.964D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.01D-05 MaxDP=4.58D-04 DE=-8.77D-05 OVMax= 9.25D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.68D-06    CP:  1.00D+00  9.35D-01
 E= -1013.45137879624     Delta-E=        0.000004830613 Rises=F Damp=F
 DIIS: error= 1.21D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45138362686     IErMin= 2 ErrMin= 4.61D-05
 ErrMax= 1.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.28D-06 BMatP= 1.57D-06
 IDIUse=3 WtCom= 4.76D-01 WtEn= 5.24D-01
 Coeff-Com:  0.379D-02 0.695D+00 0.302D+00
 Coeff-En:   0.000D+00 0.775D+00 0.225D+00
 Coeff:      0.180D-02 0.737D+00 0.261D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.54D-06 MaxDP=3.57D-04 DE= 4.83D-06 OVMax= 7.17D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.00D-06    CP:  1.00D+00  9.57D-01  4.07D-01
 E= -1013.45138492582     Delta-E=       -0.000006129575 Rises=F Damp=F
 DIIS: error= 8.97D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45138492582     IErMin= 4 ErrMin= 8.97D-06
 ErrMax= 8.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-07 BMatP= 1.57D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.436D-04 0.277D+00 0.110D+00 0.614D+00
 Coeff:     -0.436D-04 0.277D+00 0.110D+00 0.614D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.47D-06 MaxDP=6.00D-05 DE=-6.13D-06 OVMax= 5.60D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.59D-07    CP:  1.00D+00  9.66D-01  3.61D-01  6.29D-01
 E= -1013.45138499609     Delta-E=       -0.000000070278 Rises=F Damp=F
 DIIS: error= 7.37D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45138499609     IErMin= 5 ErrMin= 7.37D-06
 ErrMax= 7.37D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-08 BMatP= 1.02D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.777D-05 0.154D+00 0.607D-01 0.403D+00 0.383D+00
 Coeff:      0.777D-05 0.154D+00 0.607D-01 0.403D+00 0.383D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.12D-07 MaxDP=2.71D-05 DE=-7.03D-08 OVMax= 2.69D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.66D-07    CP:  1.00D+00  9.66D-01  3.58D-01  6.44D-01  5.94D-01
 E= -1013.45138501849     Delta-E=       -0.000000022400 Rises=F Damp=F
 DIIS: error= 7.20D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45138501849     IErMin= 6 ErrMin= 7.20D-07
 ErrMax= 7.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.57D-10 BMatP= 2.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.459D-05 0.516D-01 0.208D-01 0.143D+00 0.171D+00 0.614D+00
 Coeff:     -0.459D-05 0.516D-01 0.208D-01 0.143D+00 0.171D+00 0.614D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.23D-08 MaxDP=2.92D-06 DE=-2.24D-08 OVMax= 3.87D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.38D-08    CP:  1.00D+00  9.66D-01  3.59D-01  6.49D-01  5.83D-01
                    CP:  8.99D-01
 E= -1013.45138501889     Delta-E=       -0.000000000397 Rises=F Damp=F
 DIIS: error= 2.94D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45138501889     IErMin= 7 ErrMin= 2.94D-07
 ErrMax= 2.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-11 BMatP= 3.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.100D-04 0.140D-01 0.587D-02 0.413D-01 0.585D-01 0.339D+00
 Coeff-Com:  0.541D+00
 Coeff:     -0.100D-04 0.140D-01 0.587D-02 0.413D-01 0.585D-01 0.339D+00
 Coeff:      0.541D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.56D-08 MaxDP=1.06D-06 DE=-3.97D-10 OVMax= 1.26D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.74D-08    CP:  1.00D+00  9.66D-01  3.59D-01  6.49D-01  5.90D-01
                    CP:  8.91D-01  7.26D-01
 E= -1013.45138501893     Delta-E=       -0.000000000043 Rises=F Damp=F
 DIIS: error= 5.24D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45138501893     IErMin= 8 ErrMin= 5.24D-08
 ErrMax= 5.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-12 BMatP= 5.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.474D-05 0.248D-02 0.110D-02 0.792D-02 0.131D-01 0.101D+00
 Coeff-Com:  0.230D+00 0.645D+00
 Coeff:     -0.474D-05 0.248D-02 0.110D-02 0.792D-02 0.131D-01 0.101D+00
 Coeff:      0.230D+00 0.645D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.51D-09 MaxDP=4.50D-07 DE=-4.27D-11 OVMax= 6.33D-07

 Error on total polarization charges =  0.04319
 SCF Done:  E(RB97D) =  -1013.45138502     A.U. after    8 cycles
            NFock=  8  Conv=0.75D-08     -V/T= 2.0213
 KE= 9.923508639964D+02 PE=-6.028953140175D+03 EE= 2.174453068786D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:39:11 2016, MaxMem=  2952790016 cpu:      1109.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37495.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 03:39:19 2016, MaxMem=  2952790016 cpu:        97.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:39:19 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:39:56 2016, MaxMem=  2952790016 cpu:       441.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23881069D+00-2.53847602D+00 3.31824163D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000477676    0.000593416   -0.000067019
      2        6           0.000147033    0.000013544   -0.000130402
      3        8           0.000003752    0.000178618    0.000160144
      4        7           0.000080622    0.000007376    0.000084158
      5        1          -0.000044743    0.000025951    0.000038264
      6        6           0.000053413   -0.000151928    0.000121713
      7        1          -0.000041724    0.000024302    0.000096409
      8        1          -0.000150210   -0.000015368   -0.000187737
      9        1          -0.000074197    0.000006913   -0.000055558
     10        6           0.000013463   -0.000024886    0.000108123
     11        1          -0.000007317    0.000005911   -0.000051229
     12        1          -0.000000879    0.000071432    0.000003680
     13        1           0.000013791    0.000063852    0.000030697
     14        6          -0.000049694   -0.000013216   -0.000029976
     15        8           0.000004980    0.000015251   -0.000078519
     16        7           0.000035884   -0.000030938   -0.000009599
     17        1          -0.000003588   -0.000007011   -0.000038478
     18        6           0.000064290    0.000053492   -0.000111080
     19        1           0.000014820   -0.000043506    0.000007712
     20        1           0.000012922   -0.000014032   -0.000066208
     21        1          -0.000006686   -0.000035381   -0.000026591
     22        6           0.000004351   -0.000009971   -0.000010065
     23        1           0.000050439    0.000014902   -0.000038218
     24        1           0.000001440    0.000007345   -0.000032797
     25        1           0.000043044    0.000023676   -0.000015729
     26        6           0.000061528   -0.000125212    0.000113595
     27        8          -0.000046053    0.000148251   -0.000078447
     28        7          -0.000014257   -0.000055773   -0.000048612
     29        1           0.000013185    0.000075217    0.000051796
     30        6           0.000041386   -0.000010139    0.000040638
     31        1          -0.000007174    0.000019081    0.000027981
     32        1          -0.000140816   -0.000115502    0.000051982
     33        1           0.000019386    0.000034123    0.000016819
     34        6          -0.000060714   -0.000023117    0.000067287
     35        1          -0.000016668   -0.000020511    0.000015767
     36        1          -0.000035180   -0.000055158   -0.000016522
     37        1          -0.000025218   -0.000012241    0.000024217
     38        6          -0.000304949   -0.000135395   -0.000226721
     39        8           0.000067074    0.000053516   -0.000090516
     40        7           0.000289556    0.000484749    0.000068738
     41        1          -0.000023296   -0.000080244   -0.000032249
     42        6          -0.000616666   -0.000566132    0.000216024
     43        1          -0.000056979    0.000028217   -0.000059256
     44        1           0.000174892    0.000122535   -0.000039211
     45        1           0.000146181   -0.000134542   -0.000034660
     46        6          -0.000088589   -0.000080834    0.000353079
     47        1           0.000052574   -0.000095478   -0.000023072
     48        1          -0.000045583   -0.000151009   -0.000113275
     49        1          -0.000026500   -0.000064148    0.000012924
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000616666 RMS     0.000132365
 Leave Link  716 at Mon Nov 14 03:39:56 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000254053 RMS     0.000026094
 Search for a local minimum.
 Step number  77 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .26094D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   46   49   51   53   55
                                                     56   57   59   60   61
                                                     62   63   64   65   66
                                                     67   68   69   70   71
                                                     72   73   74   75   76
                                                     77
 DE= -3.46D-06 DEPred=-5.96D-06 R= 5.80D-01
 TightC=F SS=  1.41D+00  RLast= 1.35D-01 DXNew= 1.5101D-01 4.0551D-01
 Trust test= 5.80D-01 RLast= 1.35D-01 DXMaxT set to 1.51D-01
 ITU=  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0
 ITU=  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00015   0.00038   0.00097   0.00134   0.00137
     Eigenvalues ---    0.00186   0.00200   0.00254   0.00331   0.00389
     Eigenvalues ---    0.00424   0.00438   0.00574   0.00670   0.00701
     Eigenvalues ---    0.00717   0.00796   0.00854   0.00945   0.01010
     Eigenvalues ---    0.01067   0.01124   0.01180   0.01230   0.01293
     Eigenvalues ---    0.01298   0.01432   0.01517   0.01598   0.01640
     Eigenvalues ---    0.01707   0.01712   0.01785   0.01826   0.01849
     Eigenvalues ---    0.01904   0.01977   0.02086   0.02114   0.02174
     Eigenvalues ---    0.02254   0.02392   0.02582   0.02681   0.02937
     Eigenvalues ---    0.03070   0.03264   0.03834   0.04221   0.04338
     Eigenvalues ---    0.04490   0.05115   0.05520   0.05787   0.06104
     Eigenvalues ---    0.06204   0.06317   0.06355   0.06513   0.06675
     Eigenvalues ---    0.07035   0.07241   0.07344   0.07681   0.07994
     Eigenvalues ---    0.08050   0.08113   0.08164   0.08256   0.08456
     Eigenvalues ---    0.08632   0.08760   0.08967   0.08993   0.09232
     Eigenvalues ---    0.09592   0.09701   0.09863   0.09944   0.10052
     Eigenvalues ---    0.10205   0.10440   0.10453   0.10796   0.10853
     Eigenvalues ---    0.11177   0.11276   0.11380   0.11711   0.13235
     Eigenvalues ---    0.13406   0.14238   0.14502   0.15079   0.15150
     Eigenvalues ---    0.15541   0.15886   0.20931   0.21693   0.22383
     Eigenvalues ---    0.23558   0.24088   0.24633   0.25553   0.26090
     Eigenvalues ---    0.26882   0.27377   0.28107   0.29140   0.29547
     Eigenvalues ---    0.29872   0.31038   0.32761   0.32812   0.32823
     Eigenvalues ---    0.32854   0.33298   0.33342   0.33364   0.33374
     Eigenvalues ---    0.33396   0.33419   0.33426   0.33516   0.33690
     Eigenvalues ---    0.33791   0.33816   0.33832   0.33923   0.33950
     Eigenvalues ---    0.34032   0.34163   0.34310   0.37254   0.38864
     Eigenvalues ---    0.40199   0.40574   0.85891   0.86092   0.86221
     Eigenvalues ---    0.87925
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    77   76   75   74   73
 RFO step:  Lambda=-2.11402513D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.00D-04 SmlDif=  1.00D-05
 RMS Error=  0.1518761472D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.69067    0.42630    0.03436   -0.15143    0.00009
 Iteration  1 RMS(Cart)=  0.00282292 RMS(Int)=  0.00017216
 Iteration  2 RMS(Cart)=  0.00001291 RMS(Int)=  0.00000710
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000710
 ITry= 1 IFail=0 DXMaxC= 2.22D-02 DCOld= 1.00D+10 DXMaxT= 1.51D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59919  -0.00003   0.00214   0.00059   0.00273   6.60192
    R2        6.26868  -0.00002  -0.00171   0.00416   0.00244   6.27113
    R3        7.26150  -0.00008   0.00048   0.00628   0.00674   7.26824
    R4        6.35405  -0.00007   0.00286   0.01402   0.01688   6.37093
    R5        6.53640  -0.00003  -0.00123   0.00047  -0.00076   6.53564
    R6        5.98664   0.00001   0.00216  -0.00012   0.00203   5.98867
    R7        6.69552  -0.00003  -0.00132   0.00017  -0.00115   6.69438
    R8        6.22953  -0.00001   0.00092  -0.00323  -0.00231   6.22722
    R9        6.66224  -0.00003   0.00016  -0.00075  -0.00060   6.66164
   R10        6.07773   0.00000  -0.00012  -0.00406  -0.00417   6.07355
   R11        6.95730  -0.00001   0.00069  -0.00335  -0.00266   6.95464
   R12        6.02554   0.00001   0.00037  -0.00100  -0.00063   6.02491
   R13        6.88345   0.00002  -0.00147  -0.00131  -0.00278   6.88067
   R14        6.19954  -0.00001   0.00014   0.00041   0.00055   6.20009
   R15        6.87873   0.00002   0.00000   0.00157   0.00157   6.88029
   R16        5.96300  -0.00001  -0.00110   0.00570   0.00459   5.96759
   R17        6.69159  -0.00003   0.00091  -0.00375  -0.00284   6.68875
   R18        6.58486   0.00002   0.00125  -0.00077   0.00049   6.58534
   R19        6.21443   0.00002   0.00333   0.00116   0.00450   6.21893
   R20        6.59772  -0.00008   0.00174  -0.00618  -0.00447   6.59325
   R21        6.09719  -0.00010  -0.00209  -0.02354  -0.02565   6.07154
   R22        6.99979   0.00010  -0.00036  -0.00200  -0.00235   6.99744
   R23        6.01439  -0.00005  -0.00081  -0.00848  -0.00929   6.00510
   R24        2.34996  -0.00018  -0.00010  -0.00001  -0.00012   2.34984
   R25        2.57154  -0.00003  -0.00025  -0.00006  -0.00030   2.57124
   R26        2.09467   0.00004   0.00013   0.00007   0.00020   2.09486
   R27        2.76580  -0.00012  -0.00009  -0.00148  -0.00156   2.76424
   R28        2.76829  -0.00004  -0.00009  -0.00037  -0.00046   2.76782
   R29        2.07643   0.00004  -0.00001   0.00017   0.00016   2.07659
   R30        2.08318  -0.00013  -0.00099  -0.00203  -0.00299   2.08019
   R31        2.08303  -0.00003  -0.00004  -0.00003  -0.00007   2.08296
   R32        2.08066  -0.00003   0.00003   0.00028   0.00031   2.08097
   R33        2.07468  -0.00002   0.00000  -0.00007  -0.00006   2.07462
   R34        2.08355  -0.00001   0.00002   0.00003   0.00005   2.08360
   R35        2.34883  -0.00004   0.00003  -0.00004  -0.00001   2.34882
   R36        2.57184  -0.00003  -0.00007  -0.00014  -0.00020   2.57164
   R37        2.09421  -0.00001  -0.00002   0.00004   0.00002   2.09423
   R38        2.76871  -0.00002  -0.00002  -0.00024  -0.00026   2.76846
   R39        2.76513  -0.00001  -0.00011  -0.00021  -0.00032   2.76481
   R40        2.08199  -0.00004  -0.00021  -0.00037  -0.00058   2.08141
   R41        2.08402   0.00000  -0.00002   0.00005   0.00002   2.08404
   R42        2.07420   0.00000  -0.00002  -0.00001  -0.00003   2.07417
   R43        2.08323  -0.00002  -0.00004  -0.00001  -0.00005   2.08318
   R44        2.08338   0.00002   0.00001  -0.00001   0.00000   2.08338
   R45        2.07655   0.00001   0.00002   0.00003   0.00005   2.07660
   R46        2.34821   0.00006   0.00005   0.00023   0.00028   2.34850
   R47        2.57175   0.00007   0.00013  -0.00018  -0.00005   2.57170
   R48        2.09354  -0.00001  -0.00003   0.00000  -0.00003   2.09351
   R49        2.76482  -0.00002  -0.00004   0.00007   0.00002   2.76484
   R50        2.76835   0.00006  -0.00002   0.00014   0.00012   2.76847
   R51        2.08441  -0.00001   0.00000   0.00003   0.00003   2.08445
   R52        2.08208   0.00008   0.00024   0.00052   0.00075   2.08283
   R53        2.07582   0.00001   0.00001   0.00000   0.00001   2.07583
   R54        2.08526   0.00001   0.00001  -0.00009  -0.00008   2.08518
   R55        2.07384  -0.00003  -0.00007   0.00021   0.00014   2.07398
   R56        2.07805   0.00000   0.00002  -0.00004  -0.00002   2.07804
   R57        2.34882   0.00009   0.00012   0.00067   0.00080   2.34961
   R58        2.57082   0.00024   0.00017   0.00059   0.00077   2.57159
   R59        2.09507   0.00004   0.00020   0.00002   0.00022   2.09528
   R60        2.77151  -0.00025  -0.00058  -0.00091  -0.00149   2.77002
   R61        2.76407   0.00020   0.00018   0.00086   0.00104   2.76511
   R62        2.07436   0.00009   0.00005   0.00001   0.00005   2.07442
   R63        2.08340   0.00005   0.00007   0.00002   0.00008   2.08348
   R64        2.07895   0.00014   0.00024   0.00107   0.00136   2.08030
   R65        2.07618  -0.00002  -0.00008   0.00003  -0.00005   2.07613
   R66        2.08490   0.00001  -0.00033   0.00015  -0.00015   2.08475
   R67        2.08243  -0.00001  -0.00003  -0.00008  -0.00011   2.08232
    A1        0.67981  -0.00003  -0.00009  -0.00087  -0.00095   0.67886
    A2        0.95614  -0.00004  -0.00015  -0.00096  -0.00110   0.95504
    A3        0.72630   0.00000  -0.00006  -0.00025  -0.00031   0.72599
    A4        1.01772   0.00000  -0.00013  -0.00019  -0.00032   1.01741
    A5        2.34391   0.00002   0.00021   0.00136   0.00157   2.34548
    A6        2.02720   0.00002   0.00040   0.00069   0.00108   2.02828
    A7        1.98604   0.00001   0.00064  -0.00062   0.00002   1.98606
    A8        1.69363   0.00002   0.00075  -0.00050   0.00025   1.69388
    A9        1.65558   0.00002   0.00034   0.00097   0.00131   1.65689
   A10        1.37462   0.00002   0.00042   0.00070   0.00111   1.37573
   A11        1.72841  -0.00001  -0.00022   0.00032   0.00009   1.72850
   A12        2.03122   0.00000  -0.00010   0.00089   0.00078   2.03200
   A13        1.93454   0.00001  -0.00005   0.00182   0.00177   1.93631
   A14        2.01932   0.00003  -0.00037   0.00375   0.00338   2.02270
   A15        2.42678   0.00001  -0.00015   0.00067   0.00052   2.42730
   A16        1.58849  -0.00003  -0.00053  -0.00470  -0.00523   1.58325
   A17        1.78545  -0.00002  -0.00087  -0.00377  -0.00464   1.78081
   A18        1.56119  -0.00001  -0.00098  -0.00244  -0.00341   1.55777
   A19        1.69959  -0.00001  -0.00140  -0.00237  -0.00378   1.69581
   A20        2.18910   0.00001  -0.00080  -0.00339  -0.00419   2.18491
   A21        2.40732   0.00000  -0.00131  -0.00174  -0.00306   2.40426
   A22        0.64289  -0.00003  -0.00016  -0.00149  -0.00165   0.64124
   A23        0.65812   0.00000  -0.00009  -0.00009  -0.00019   0.65793
   A24        2.39380   0.00001   0.00017   0.00138   0.00155   2.39535
   A25        2.22499   0.00000   0.00048   0.00046   0.00094   2.22593
   A26        2.32805   0.00000   0.00065  -0.00078  -0.00013   2.32792
   A27        2.06475   0.00001   0.00074  -0.00063   0.00010   2.06485
   A28        1.81729   0.00001   0.00054   0.00032   0.00086   1.81814
   A29        1.57730   0.00000   0.00062   0.00011   0.00072   1.57802
   A30        1.33561  -0.00001  -0.00007   0.00057   0.00049   1.33610
   A31        1.63283   0.00000   0.00002   0.00091   0.00093   1.63376
   A32        1.58081   0.00001   0.00002   0.00142   0.00144   1.58224
   A33        1.72982   0.00002  -0.00031   0.00301   0.00269   1.73251
   A34        2.03036   0.00001  -0.00001   0.00094   0.00092   2.03128
   A35        1.84983  -0.00002  -0.00060  -0.00391  -0.00450   1.84533
   A36        1.91406  -0.00001  -0.00088  -0.00251  -0.00339   1.91067
   A37        1.56444   0.00001  -0.00079  -0.00157  -0.00236   1.56208
   A38        1.58178   0.00000  -0.00119  -0.00160  -0.00280   1.57899
   A39        2.26814   0.00002  -0.00092  -0.00142  -0.00234   2.26580
   A40        2.36128   0.00002  -0.00142   0.00145   0.00003   2.36131
   A41        0.68821  -0.00001  -0.00011  -0.00038  -0.00049   0.68772
   A42        0.74503   0.00000  -0.00050   0.00007  -0.00043   0.74460
   A43        2.65717   0.00001  -0.00009   0.00110   0.00100   2.65817
   A44        2.60339  -0.00001   0.00037  -0.00014   0.00023   2.60362
   A45        2.66408  -0.00001   0.00053  -0.00146  -0.00092   2.66315
   A46        2.35963  -0.00001   0.00058  -0.00128  -0.00070   2.35894
   A47        2.19588  -0.00001   0.00044  -0.00037   0.00007   2.19595
   A48        1.96229  -0.00001   0.00052  -0.00055  -0.00004   1.96225
   A49        1.09269   0.00001  -0.00028   0.00056   0.00028   1.09298
   A50        1.45136   0.00002  -0.00019   0.00066   0.00047   1.45182
   A51        1.54997   0.00002  -0.00027   0.00080   0.00053   1.55049
   A52        1.78305   0.00003  -0.00053   0.00192   0.00139   1.78443
   A53        1.77944   0.00003  -0.00013   0.00074   0.00061   1.78005
   A54        1.70711  -0.00001  -0.00027  -0.00256  -0.00282   1.70429
   A55        1.64109  -0.00001  -0.00055  -0.00117  -0.00173   1.63936
   A56        1.24065   0.00002  -0.00044  -0.00069  -0.00113   1.23951
   A57        1.20837   0.00001  -0.00097  -0.00085  -0.00182   1.20655
   A58        1.93479   0.00002  -0.00070   0.00003  -0.00068   1.93412
   A59        1.98349   0.00003  -0.00125   0.00251   0.00126   1.98474
   A60        0.84070  -0.00002  -0.00023  -0.00213  -0.00235   0.83835
   A61        0.77682   0.00000  -0.00071  -0.00205  -0.00275   0.77408
   A62        2.59924   0.00002  -0.00024  -0.00087  -0.00111   2.59813
   A63        2.77050  -0.00001   0.00022  -0.00204  -0.00182   2.76868
   A64        2.61603  -0.00002   0.00046  -0.00046  -0.00002   2.61601
   A65        2.39658  -0.00002   0.00039  -0.00233  -0.00194   2.39464
   A66        2.20246  -0.00002   0.00048  -0.00199  -0.00152   2.20094
   A67        0.85175   0.00002  -0.00035  -0.00073  -0.00106   0.85069
   A68        1.22711   0.00003  -0.00026  -0.00084  -0.00109   1.22602
   A69        1.40545   0.00003  -0.00040  -0.00151  -0.00190   1.40356
   A70        1.67488   0.00004  -0.00059  -0.00086  -0.00144   1.67343
   A71        1.51762   0.00004  -0.00012   0.00002  -0.00009   1.51753
   A72        1.71983  -0.00001  -0.00002   0.00078   0.00076   1.72059
   A73        1.54960  -0.00001  -0.00025   0.00192   0.00167   1.55127
   A74        1.12080   0.00003  -0.00005   0.00191   0.00185   1.12265
   A75        1.01169   0.00002  -0.00061   0.00124   0.00063   1.01233
   A76        1.76653   0.00003  -0.00048   0.00280   0.00232   1.76886
   A77        1.75838   0.00004  -0.00105   0.00467   0.00362   1.76201
   A78        1.99592   0.00001   0.00007   0.00141   0.00148   1.99739
   A79        1.94329   0.00000   0.00048   0.00031   0.00078   1.94407
   A80        2.22423   0.00000   0.00071  -0.00076  -0.00006   2.22416
   A81        2.08421   0.00000   0.00092  -0.00075   0.00016   2.08437
   A82        1.55598   0.00001   0.00062  -0.00024   0.00038   1.55636
   A83        1.39075   0.00000   0.00075  -0.00051   0.00024   1.39099
   A84        1.19541   0.00000   0.00008   0.00157   0.00165   1.19706
   A85        1.37838   0.00000   0.00009   0.00191   0.00200   1.38038
   A86        1.20928   0.00002   0.00003   0.00216   0.00219   1.21147
   A87        1.31227   0.00002  -0.00037   0.00354   0.00318   1.31545
   A88        1.80456   0.00002   0.00003   0.00216   0.00219   1.80675
   A89        2.28031  -0.00002  -0.00054  -0.00429  -0.00482   2.27549
   A90        2.32287  -0.00001  -0.00073  -0.00194  -0.00267   2.32020
   A91        1.92826   0.00002  -0.00053  -0.00101  -0.00154   1.92672
   A92        1.85189  -0.00001  -0.00080  -0.00078  -0.00159   1.85031
   A93        2.60705   0.00001  -0.00073   0.00055  -0.00019   2.60686
   A94        2.54857   0.00001  -0.00094   0.00437   0.00343   2.55200
   A95        1.91306   0.00000   0.00041   0.00103   0.00144   1.91449
   A96        1.99610   0.00000   0.00092  -0.00003   0.00089   1.99699
   A97        2.37367  -0.00001   0.00109  -0.00069   0.00040   2.37407
   A98        2.33114   0.00000   0.00132  -0.00077   0.00055   2.33168
   A99        1.66901   0.00000   0.00115  -0.00085   0.00029   1.66930
   A100       1.57689   0.00000   0.00125  -0.00099   0.00025   1.57714
   A101       0.88939   0.00001  -0.00015   0.00179   0.00165   0.89103
   A102       1.05679   0.00001  -0.00001   0.00185   0.00183   1.05862
   A103       0.92469   0.00001   0.00009   0.00167   0.00176   0.92645
   A104       1.08292   0.00002  -0.00015   0.00265   0.00250   1.08542
   A105       1.48289   0.00002  -0.00007   0.00210   0.00202   1.48492
   A106       2.45158  -0.00001  -0.00077  -0.00262  -0.00340   2.44818
   A107       2.32343  -0.00001  -0.00091   0.00021  -0.00071   2.32272
   A108       1.89169   0.00003  -0.00068   0.00013  -0.00055   1.89114
   A109       1.72093   0.00000  -0.00089   0.00017  -0.00072   1.72021
   A110       2.44323   0.00001  -0.00085   0.00284   0.00199   2.44522
   A111       2.28434   0.00002  -0.00095   0.00526   0.00432   2.28865
   A112       0.71376   0.00000   0.00007   0.00006   0.00012   0.71389
   A113       1.00524  -0.00001   0.00004   0.00030   0.00034   1.00558
   A114       0.69565   0.00000  -0.00004   0.00011   0.00008   0.69573
   A115       0.98324   0.00000  -0.00008   0.00033   0.00026   0.98350
   A116       1.80718   0.00000   0.00024   0.00098   0.00122   1.80840
   A117       1.42638  -0.00001   0.00011   0.00091   0.00102   1.42740
   A118       1.19587  -0.00001   0.00017   0.00081   0.00098   1.19685
   A119       0.92462  -0.00002   0.00035  -0.00008   0.00027   0.92489
   A120       1.24905  -0.00001   0.00001   0.00074   0.00074   1.24979
   A121       1.91609   0.00000   0.00036   0.00124   0.00159   1.91769
   A122       1.96383   0.00001   0.00067   0.00068   0.00135   1.96518
   A123       2.32220  -0.00002   0.00066   0.00034   0.00100   2.32320
   A124       2.23872  -0.00001   0.00119   0.00092   0.00211   2.24083
   A125       1.62069  -0.00003   0.00075   0.00017   0.00092   1.62161
   A126       1.48796  -0.00002   0.00126  -0.00134  -0.00008   1.48788
   A127       0.65584   0.00000  -0.00003   0.00054   0.00050   0.65635
   A128       0.66114   0.00000  -0.00009   0.00017   0.00008   0.66123
   A129       2.17234   0.00000   0.00051   0.00089   0.00140   2.17374
   A130       1.79946  -0.00001   0.00033   0.00083   0.00116   1.80063
   A131       1.50916  -0.00001   0.00050   0.00075   0.00125   1.51041
   A132       1.21814  -0.00002   0.00058   0.00031   0.00089   1.21903
   A133       1.64235  -0.00002   0.00004   0.00072   0.00076   1.64312
   A134       1.76150   0.00000  -0.00021   0.00051   0.00030   1.76180
   A135       1.96253   0.00001   0.00002   0.00005   0.00007   1.96260
   A136       2.39188  -0.00002  -0.00016   0.00014  -0.00003   2.39185
   A137       2.47121   0.00000   0.00058   0.00094   0.00152   2.47274
   A138       1.73105  -0.00002   0.00028  -0.00049  -0.00021   1.73084
   A139       1.69539  -0.00002   0.00090  -0.00220  -0.00131   1.69408
   A140       0.70467   0.00000  -0.00006   0.00015   0.00010   0.70477
   A141       0.83349   0.00000  -0.00005  -0.00025  -0.00029   0.83319
   A142       2.49734   0.00000   0.00003   0.00110   0.00113   2.49847
   A143       2.11862  -0.00001  -0.00003   0.00103   0.00100   2.11962
   A144       1.90514  -0.00001   0.00032   0.00085   0.00117   1.90631
   A145       1.62263  -0.00002   0.00050   0.00018   0.00068   1.62331
   A146       1.83407  -0.00001  -0.00033   0.00084   0.00052   1.83458
   A147       1.33623   0.00000  -0.00025   0.00039   0.00014   1.33637
   A148       1.57655   0.00002  -0.00023  -0.00024  -0.00047   1.57608
   A149       2.00661  -0.00002  -0.00048   0.00004  -0.00044   2.00617
   A150       2.18417   0.00001  -0.00012   0.00083   0.00071   2.18487
   A151       1.43530  -0.00001  -0.00009  -0.00093  -0.00102   1.43428
   A152       1.49776  -0.00001   0.00040  -0.00281  -0.00241   1.49535
   A153       0.76616   0.00000   0.00000   0.00101   0.00101   0.76717
   A154       0.76833   0.00000   0.00005   0.00052   0.00057   0.76890
   A155       2.80939   0.00000   0.00012   0.00118   0.00129   2.81068
   A156       2.42782  -0.00001   0.00003   0.00113   0.00116   2.42898
   A157       2.16403  -0.00001   0.00051   0.00132   0.00182   2.16586
   A158       1.87174  -0.00002   0.00058   0.00099   0.00156   1.87330
   A159       2.14405  -0.00002  -0.00044   0.00056   0.00011   2.14417
   A160       1.19968  -0.00001  -0.00065  -0.00110  -0.00174   1.19794
   A161       1.52505   0.00002  -0.00070  -0.00163  -0.00233   1.52272
   A162       1.92106  -0.00002  -0.00093  -0.00100  -0.00193   1.91913
   A163       2.18029   0.00001  -0.00077  -0.00039  -0.00117   2.17912
   A164       1.50771  -0.00001  -0.00052  -0.00228  -0.00281   1.50490
   A165       1.64792  -0.00002  -0.00007  -0.00393  -0.00401   1.64391
   A166       2.16574   0.00000   0.00096   0.00048   0.00144   2.16718
   A167       1.86609  -0.00001   0.00072   0.00054   0.00126   1.86734
   A168       1.48248  -0.00001   0.00082   0.00051   0.00133   1.48381
   A169       1.20278  -0.00002   0.00067   0.00081   0.00148   1.20426
   A170       1.87003  -0.00001   0.00031   0.00066   0.00097   1.87100
   A171       1.96544  -0.00001  -0.00068  -0.00016  -0.00084   1.96460
   A172       2.27198   0.00001  -0.00045  -0.00027  -0.00073   2.27125
   A173       2.68658  -0.00002  -0.00088   0.00005  -0.00083   2.68574
   A174       2.11956  -0.00002   0.00007  -0.00052  -0.00046   2.11911
   A175       2.10341  -0.00002   0.00083  -0.00203  -0.00120   2.10221
   A176       2.27430   0.00000   0.00110   0.00083   0.00193   2.27622
   A177       2.05351   0.00000   0.00084   0.00100   0.00183   2.05535
   A178       1.64455   0.00000   0.00089   0.00105   0.00193   1.64648
   A179       1.39242  -0.00001   0.00061   0.00170   0.00231   1.39473
   A180       2.13599  -0.00001   0.00036   0.00110   0.00146   2.13746
   A181       1.89851  -0.00002  -0.00092  -0.00148  -0.00240   1.89611
   A182       2.27283   0.00001  -0.00087  -0.00149  -0.00235   2.27048
   A183       2.58860  -0.00002  -0.00129  -0.00093  -0.00222   2.58638
   A184       2.25930  -0.00001  -0.00029  -0.00146  -0.00175   2.25755
   A185       2.32166  -0.00002   0.00053  -0.00275  -0.00222   2.31944
   A186       0.69087   0.00001   0.00010   0.00005   0.00015   0.69102
   A187       0.98128   0.00002   0.00013   0.00011   0.00024   0.98151
   A188       0.69922   0.00002   0.00008   0.00025   0.00034   0.69955
   A189       2.11035   0.00002  -0.00019   0.00063   0.00044   2.11080
   A190       1.72872  -0.00002  -0.00015   0.00096   0.00081   1.72953
   A191       1.40140   0.00002   0.00013  -0.00018  -0.00005   1.40135
   A192       1.09667  -0.00001   0.00007  -0.00055  -0.00046   1.09621
   A193       1.61506   0.00000  -0.00036   0.00190   0.00155   1.61660
   A194       1.40278   0.00001  -0.00063   0.00351   0.00289   1.40567
   A195       0.66644   0.00000   0.00012  -0.00047  -0.00035   0.66609
   A196       2.25511   0.00003   0.00013   0.00169   0.00182   2.25693
   A197       1.85631  -0.00001   0.00022   0.00143   0.00165   1.85795
   A198       1.63986   0.00002   0.00046  -0.00001   0.00045   1.64031
   A199       1.32038  -0.00001   0.00055  -0.00026   0.00030   1.32068
   A200       1.60709  -0.00001  -0.00001   0.00206   0.00205   1.60914
   A201       1.33972   0.00000  -0.00013   0.00304   0.00292   1.34263
   A202       0.70961   0.00000  -0.00008   0.00007  -0.00002   0.70960
   A203       2.63841   0.00002   0.00026   0.00200   0.00226   2.64067
   A204       2.25263  -0.00001   0.00032   0.00141   0.00173   2.25436
   A205       2.05001   0.00002   0.00041  -0.00010   0.00030   2.05031
   A206       1.73082  -0.00001   0.00049  -0.00038   0.00012   1.73094
   A207       1.94741  -0.00002   0.00021   0.00184   0.00205   1.94946
   A208       1.66463  -0.00001   0.00024   0.00231   0.00255   1.66717
   A209       0.83487   0.00000   0.00021  -0.00114  -0.00093   0.83393
   A210       2.67448   0.00001   0.00089   0.00093   0.00182   2.67630
   A211       2.38154  -0.00001   0.00093   0.00016   0.00109   2.38263
   A212       2.29345   0.00002   0.00076  -0.00079  -0.00004   2.29341
   A213       1.97694  -0.00001   0.00087  -0.00094  -0.00006   1.97688
   A214       2.00603  -0.00003   0.00084   0.00009   0.00093   2.00696
   A215       1.72763  -0.00002   0.00098   0.00000   0.00099   1.72861
   A216       1.93057   0.00002   0.00039   0.00204   0.00242   1.93299
   A217       1.56212  -0.00001   0.00055   0.00146   0.00201   1.56412
   A218       1.49163   0.00001   0.00079   0.00004   0.00083   1.49245
   A219       1.19979  -0.00001   0.00106   0.00000   0.00107   1.20086
   A220       1.23818  -0.00002   0.00027   0.00179   0.00206   1.24024
   A221       0.95660  -0.00001   0.00024   0.00236   0.00261   0.95922
   A222       0.72407  -0.00001  -0.00028   0.00027  -0.00001   0.72406
   A223       1.01488   0.00003  -0.00023   0.00107   0.00083   1.01571
   A224       0.69762   0.00005   0.00007   0.00047   0.00054   0.69816
   A225       0.98175   0.00004   0.00000   0.00020   0.00020   0.98195
   A226       0.65609  -0.00001  -0.00009   0.00126   0.00116   0.65726
   A227       0.66313   0.00001  -0.00009   0.00054   0.00044   0.66357
   A228       0.70427   0.00000  -0.00015   0.00027   0.00013   0.70439
   A229       0.85028   0.00001  -0.00044   0.00123   0.00079   0.85107
   A230       0.75667   0.00002   0.00007   0.00164   0.00171   0.75838
   A231       0.77963   0.00002  -0.00022   0.00296   0.00275   0.78239
   A232       1.58939  -0.00005   0.00146  -0.00595  -0.00448   1.58491
   A233       1.86355  -0.00001  -0.00139   0.00683   0.00544   1.86899
   A234       2.18988  -0.00004   0.00011   0.00004   0.00015   2.19002
   A235       2.12964   0.00000  -0.00037  -0.00145  -0.00180   2.12784
   A236       1.96333   0.00003   0.00023   0.00143   0.00165   1.96498
   A237       2.12470  -0.00006   0.00029  -0.00096  -0.00067   2.12403
   A238       2.12551   0.00003   0.00022  -0.00058  -0.00036   2.12515
   A239       2.03237   0.00003  -0.00041   0.00150   0.00109   2.03346
   A240       1.83731  -0.00004   0.00034  -0.00826  -0.00792   1.82939
   A241       2.53701   0.00003  -0.00030   0.00893   0.00862   2.54563
   A242       1.91350   0.00000   0.00042   0.00059   0.00100   1.91450
   A243       1.91804  -0.00001   0.00023  -0.00012   0.00011   1.91815
   A244       1.91625  -0.00001  -0.00090   0.00251   0.00163   1.91788
   A245       1.91056  -0.00002  -0.00010  -0.00219  -0.00228   1.90829
   A246       1.90815   0.00001   0.00004  -0.00069  -0.00065   1.90750
   A247       1.89720   0.00003   0.00030  -0.00013   0.00015   1.89736
   A248       1.28159  -0.00001  -0.00169  -0.00116  -0.00285   1.27874
   A249       1.90355   0.00002  -0.00043   0.00084   0.00041   1.90396
   A250       1.90968   0.00000  -0.00007  -0.00048  -0.00055   1.90913
   A251       1.92844  -0.00002   0.00010   0.00010   0.00020   1.92864
   A252       1.91092  -0.00001   0.00028  -0.00045  -0.00018   1.91074
   A253       1.89838   0.00000   0.00012  -0.00010   0.00002   1.89841
   A254       1.91273   0.00001   0.00001   0.00010   0.00010   1.91283
   A255       1.72355  -0.00003  -0.00071   0.00117   0.00046   1.72401
   A256       1.76287   0.00000  -0.00021   0.00019  -0.00002   1.76286
   A257       2.19106   0.00000   0.00012   0.00051   0.00063   2.19169
   A258       2.12980   0.00001   0.00006  -0.00024  -0.00018   2.12962
   A259       1.96212  -0.00001  -0.00019  -0.00026  -0.00045   1.96166
   A260       2.12526   0.00000   0.00006   0.00038   0.00044   2.12570
   A261       2.12264   0.00001  -0.00014  -0.00019  -0.00033   2.12231
   A262       2.03497  -0.00001   0.00005  -0.00013  -0.00008   2.03489
   A263       1.35275   0.00001  -0.00001   0.00413   0.00412   1.35687
   A264       1.90048   0.00003   0.00022   0.00094   0.00114   1.90162
   A265       1.93136  -0.00001  -0.00013  -0.00051  -0.00064   1.93072
   A266       1.90986   0.00000  -0.00001   0.00042   0.00041   1.91027
   A267       1.89721  -0.00001  -0.00011  -0.00036  -0.00047   1.89674
   A268       1.91329   0.00000  -0.00010  -0.00008  -0.00017   1.91312
   A269       1.91151   0.00000   0.00013  -0.00041  -0.00028   1.91124
   A270       2.66471   0.00001  -0.00011   0.00191   0.00179   2.66649
   A271       1.69871  -0.00001   0.00015  -0.00204  -0.00189   1.69682
   A272       1.92435   0.00000  -0.00012   0.00006  -0.00006   1.92429
   A273       1.91368   0.00000   0.00003  -0.00022  -0.00020   1.91348
   A274       1.91348  -0.00001  -0.00002   0.00006   0.00004   1.91352
   A275       1.89431  -0.00001   0.00009  -0.00008   0.00001   1.89433
   A276       1.91078   0.00000  -0.00003   0.00020   0.00017   1.91095
   A277       1.90704   0.00000   0.00006  -0.00002   0.00004   1.90708
   A278       1.80645  -0.00003  -0.00089  -0.00143  -0.00232   1.80413
   A279       1.75364   0.00004   0.00030   0.00065   0.00095   1.75459
   A280       2.18929   0.00001   0.00045  -0.00003   0.00042   2.18971
   A281       2.13133  -0.00002  -0.00029  -0.00001  -0.00030   2.13103
   A282       1.96250   0.00001  -0.00016   0.00004  -0.00012   1.96237
   A283       2.12278   0.00002   0.00006   0.00038   0.00044   2.12322
   A284       2.11533   0.00000   0.00011   0.00000   0.00011   2.11544
   A285       2.04197  -0.00002  -0.00013  -0.00022  -0.00036   2.04161
   A286       2.69223  -0.00001  -0.00107   0.00424   0.00317   2.69539
   A287       1.66788   0.00001   0.00106  -0.00428  -0.00322   1.66466
   A288       1.92587   0.00001   0.00005   0.00015   0.00019   1.92607
   A289       1.91607  -0.00001   0.00024  -0.00105  -0.00082   1.91526
   A290       1.91268  -0.00001  -0.00012  -0.00007  -0.00020   1.91248
   A291       1.89113  -0.00001  -0.00015   0.00033   0.00018   1.89131
   A292       1.91188   0.00001  -0.00005   0.00029   0.00024   1.91211
   A293       1.90597   0.00002   0.00004   0.00037   0.00041   1.90638
   A294       1.35787  -0.00003   0.00198  -0.00526  -0.00328   1.35459
   A295       1.14874   0.00001  -0.00126   0.00262   0.00136   1.15010
   A296       1.93218   0.00000  -0.00019   0.00031   0.00012   1.93230
   A297       1.90697  -0.00001  -0.00020  -0.00019  -0.00039   1.90658
   A298       1.90240   0.00001   0.00042  -0.00014   0.00028   1.90268
   A299       1.90941   0.00001   0.00006   0.00007   0.00012   1.90953
   A300       1.89769  -0.00001  -0.00015   0.00054   0.00040   1.89809
   A301       1.91512  -0.00001   0.00006  -0.00059  -0.00053   1.91459
   A302       1.65587  -0.00004   0.00192  -0.00107   0.00085   1.65672
   A303       1.80047  -0.00002  -0.00326   0.00218  -0.00108   1.79939
   A304       2.18993  -0.00002  -0.00007   0.00032   0.00025   2.19017
   A305       2.12946   0.00002   0.00019   0.00023   0.00042   2.12988
   A306       1.96343  -0.00001  -0.00012  -0.00051  -0.00062   1.96281
   A307       2.12580  -0.00004  -0.00022  -0.00040  -0.00063   2.12517
   A308       2.12341  -0.00003   0.00023   0.00055   0.00076   2.12417
   A309       2.03178   0.00006  -0.00019  -0.00049  -0.00069   2.03108
   A310       1.29755   0.00001   0.00134   0.00623   0.00757   1.30511
   A311       3.06078  -0.00002  -0.00112  -0.00881  -0.00993   3.05085
   A312       1.91177   0.00004  -0.00011  -0.00119  -0.00136   1.91041
   A313       1.92706  -0.00004   0.00024  -0.00182  -0.00148   1.92558
   A314       1.90170   0.00004   0.00024   0.00058   0.00082   1.90252
   A315       1.91196   0.00000  -0.00082   0.00128   0.00044   1.91240
   A316       1.91244  -0.00003  -0.00001   0.00048   0.00050   1.91294
   A317       1.89879  -0.00001   0.00046   0.00068   0.00110   1.89990
   A318       1.78313  -0.00003  -0.00111   0.00388   0.00276   1.78589
   A319       1.91564   0.00003   0.00007  -0.00001   0.00005   1.91569
   A320       1.91554  -0.00009   0.00041   0.00021   0.00062   1.91616
   A321       1.92008   0.00004  -0.00006  -0.00003  -0.00009   1.91999
   A322       1.90751  -0.00003  -0.00011  -0.00061  -0.00073   1.90679
   A323       1.90995   0.00001  -0.00019   0.00047   0.00029   1.91024
   A324       1.89493   0.00005  -0.00012  -0.00003  -0.00015   1.89478
   A325       2.94219  -0.00003   0.00050  -0.00158  -0.00109   2.94110
   A326       3.35518   0.00001  -0.00106  -0.00140  -0.00247   3.35271
   A327       3.07421   0.00001  -0.00098  -0.00167  -0.00267   3.07154
   A328       3.19432   0.00001  -0.00168  -0.00107  -0.00274   3.19157
   A329       3.26426   0.00000   0.00012   0.00372   0.00384   3.26810
   A330       3.26728  -0.00001   0.00204  -0.00520  -0.00316   3.26412
   A331       3.69308  -0.00002  -0.00130   0.00435   0.00305   3.69613
   A332       3.22029   0.00000   0.00020  -0.00278  -0.00258   3.21771
   A333       2.98093   0.00001  -0.00093  -0.00002  -0.00096   2.97997
   A334       2.91379   0.00001  -0.00107  -0.00003  -0.00110   2.91269
   A335       3.22781  -0.00002  -0.00105   0.00111   0.00007   3.22787
   A336       3.07953   0.00001  -0.00024  -0.00028  -0.00052   3.07901
   A337       3.10124   0.00000  -0.00051   0.00077   0.00026   3.10150
   A338       3.04676  -0.00004  -0.00095  -0.00258  -0.00353   3.04323
    D1        2.75670   0.00000  -0.00042   0.00225   0.00182   2.75852
    D2       -1.36195  -0.00001  -0.00058   0.00001  -0.00058  -1.36253
    D3        2.78215   0.00001  -0.00054  -0.00016  -0.00070   2.78145
    D4       -1.33649  -0.00001  -0.00069  -0.00240  -0.00310  -1.33959
    D5        1.66095   0.00000  -0.00033   0.00215   0.00181   1.66277
    D6       -2.45769  -0.00002  -0.00049  -0.00009  -0.00059  -2.45828
    D7        1.84252   0.00000   0.00026   0.00207   0.00233   1.84485
    D8       -2.27612  -0.00002   0.00010  -0.00017  -0.00007  -2.27620
    D9        0.32304   0.00001  -0.00011   0.00159   0.00147   0.32451
   D10        2.48758   0.00000  -0.00027  -0.00065  -0.00093   2.48665
   D11        0.03236   0.00001  -0.00062   0.00253   0.00191   0.03427
   D12        2.19691   0.00000  -0.00078   0.00029  -0.00049   2.19641
   D13       -0.43814   0.00001  -0.00074   0.00262   0.00188  -0.43626
   D14        1.72640   0.00000  -0.00090   0.00038  -0.00052   1.72588
   D15       -0.56112   0.00001  -0.00091   0.00257   0.00167  -0.55946
   D16        1.60342   0.00000  -0.00107   0.00033  -0.00074   1.60268
   D17        0.20850   0.00002  -0.00088   0.00368   0.00280   0.21130
   D18        2.37304   0.00000  -0.00104   0.00144   0.00040   2.37344
   D19        0.14137   0.00001  -0.00101   0.00366   0.00265   0.14402
   D20        2.30591   0.00000  -0.00117   0.00142   0.00025   2.30616
   D21        2.40177   0.00002   0.00015   0.00450   0.00465   2.40643
   D22       -1.71687   0.00000  -0.00001   0.00226   0.00225  -1.71462
   D23        2.15634   0.00002   0.00011   0.00511   0.00522   2.16156
   D24       -1.96231   0.00000  -0.00005   0.00287   0.00282  -1.95949
   D25        1.71689   0.00002   0.00012   0.00471   0.00483   1.72173
   D26       -2.40175   0.00000  -0.00004   0.00247   0.00243  -2.39932
   D27        1.41125   0.00001   0.00007   0.00470   0.00477   1.41602
   D28       -2.70739  -0.00001  -0.00009   0.00246   0.00237  -2.70502
   D29        2.36079   0.00003   0.00003   0.00680   0.00683   2.36762
   D30       -1.75785   0.00002  -0.00013   0.00456   0.00443  -1.75342
   D31       -1.76013   0.00003  -0.00017   0.00425   0.00409  -1.75604
   D32        0.40441   0.00001  -0.00033   0.00201   0.00169   0.40610
   D33       -2.11167   0.00000  -0.00024   0.00481   0.00456  -2.10711
   D34        0.05287  -0.00002  -0.00040   0.00257   0.00216   0.05503
   D35       -2.48371   0.00004   0.00013   0.00391   0.00404  -2.47967
   D36       -0.31917   0.00002  -0.00003   0.00167   0.00164  -0.31753
   D37       -2.77242   0.00000   0.00005   0.00370   0.00376  -2.76867
   D38       -0.60788  -0.00001  -0.00010   0.00146   0.00136  -0.60653
   D39       -2.14178   0.00001  -0.00069   0.00618   0.00549  -2.13630
   D40        0.02276  -0.00001  -0.00085   0.00394   0.00309   0.02584
   D41       -2.38732   0.00002  -0.00113   0.00997   0.00884  -2.37849
   D42       -0.22278   0.00000  -0.00129   0.00773   0.00643  -0.21635
   D43        1.25889  -0.00001   0.00054   0.00432   0.00486   1.26376
   D44       -1.93212  -0.00001   0.00313   0.00332   0.00645  -1.92567
   D45        2.45277   0.00001   0.00060   0.00491   0.00551   2.45828
   D46       -0.73825   0.00002   0.00319   0.00391   0.00710  -0.73115
   D47        2.93865   0.00001   0.00108   0.00490   0.00598   2.94463
   D48       -0.25237   0.00001   0.00367   0.00390   0.00756  -0.24480
   D49        2.86440  -0.00002   0.00100   0.00476   0.00576   2.87016
   D50       -0.32662  -0.00001   0.00358   0.00376   0.00734  -0.31928
   D51        2.04794  -0.00001   0.00052   0.00439   0.00492   2.05286
   D52       -1.14308   0.00000   0.00311   0.00339   0.00650  -1.13658
   D53        1.15273   0.00001  -0.00017   0.00534   0.00518   1.15791
   D54       -2.03829   0.00001   0.00242   0.00434   0.00676  -2.03152
   D55        1.00940   0.00001  -0.00027   0.00510   0.00483   1.01423
   D56       -2.18162   0.00001   0.00231   0.00409   0.00642  -2.17520
   D57        2.01638   0.00000   0.00018   0.00600   0.00618   2.02255
   D58       -1.17464   0.00000   0.00276   0.00500   0.00776  -1.16688
   D59        1.82104   0.00000   0.00009   0.00580   0.00589   1.82693
   D60       -1.36998   0.00000   0.00268   0.00480   0.00748  -1.36250
   D61       -2.27959   0.00001   0.00112   0.00701   0.00813  -2.27146
   D62        0.81258   0.00001   0.00371   0.00601   0.00972   0.82230
   D63       -2.41758   0.00000   0.00096   0.00710   0.00807  -2.40951
   D64        0.67459   0.00000   0.00355   0.00610   0.00965   0.68424
   D65       -2.82016   0.00001   0.00095   0.00726   0.00820  -2.81195
   D66        0.27201   0.00001   0.00353   0.00626   0.00979   0.28180
   D67       -2.99896   0.00000   0.00064   0.00832   0.00896  -2.99000
   D68        0.09321   0.00000   0.00323   0.00732   0.01055   0.10375
   D69       -2.14405   0.00000   0.00080   0.00740   0.00820  -2.13585
   D70        0.94812   0.00001   0.00338   0.00640   0.00978   0.95790
   D71       -0.17014   0.00003   0.00110   0.00898   0.01007  -0.16007
   D72        2.92202   0.00003   0.00368   0.00798   0.01166   2.93368
   D73       -0.56724  -0.00001   0.00123   0.00870   0.00993  -0.55731
   D74        2.52493   0.00000   0.00382   0.00770   0.01151   2.53644
   D75       -0.73193   0.00001   0.00159   0.00697   0.00856  -0.72337
   D76        2.36024   0.00002   0.00418   0.00597   0.01015   2.37039
   D77       -1.07005  -0.00001   0.00166   0.00661   0.00829  -1.06177
   D78        2.02211  -0.00001   0.00425   0.00561   0.00987   2.03199
   D79       -0.85339  -0.00001   0.00097   0.00957   0.01054  -0.84285
   D80        2.23877   0.00000   0.00355   0.00857   0.01212   2.25090
   D81       -1.15605   0.00000   0.00106   0.01018   0.01124  -1.14480
   D82        1.93612   0.00001   0.00364   0.00918   0.01283   1.94895
   D83       -1.53448  -0.00002  -0.00099   0.00074  -0.00025  -1.53473
   D84       -2.61068   0.00002  -0.00096   0.00178   0.00081  -2.60986
   D85       -2.94690   0.00004  -0.00102   0.00004  -0.00098  -2.94788
   D86        0.73690   0.00001  -0.00073   0.00140   0.00067   0.73758
   D87        0.31243   0.00001  -0.00090   0.00143   0.00052   0.31295
   D88       -0.06072   0.00000  -0.00077   0.00036  -0.00042  -0.06113
   D89       -0.40041   0.00001  -0.00101   0.00064  -0.00037  -0.40078
   D90        0.18103   0.00001  -0.00117   0.00253   0.00135   0.18239
   D91       -0.05724   0.00001  -0.00119   0.00237   0.00118  -0.05606
   D92        2.40576   0.00001  -0.00044   0.00269   0.00225   2.40801
   D93        2.05590   0.00000  -0.00057   0.00298   0.00241   2.05831
   D94        1.66301   0.00000  -0.00053   0.00321   0.00268   1.66568
   D95        1.37470  -0.00001  -0.00068   0.00375   0.00307   1.37776
   D96        2.05603   0.00000  -0.00069   0.00327   0.00258   2.05861
   D97       -1.90657   0.00003  -0.00058   0.00499   0.00440  -1.90217
   D98       -2.44423  -0.00001  -0.00020   0.00669   0.00647  -2.43776
   D99       -2.65420   0.00002   0.00006   0.00388   0.00393  -2.65027
   D100      -2.98120  -0.00001   0.00030   0.00364   0.00395  -2.97725
   D101      -2.91590  -0.00002   0.00003   0.01033   0.01036  -2.90554
   D102       2.84201  -0.00001   0.00096   0.00730   0.00830   2.85031
   D103      -2.91312   0.00000  -0.00155   0.00288   0.00134  -2.91179
   D104       1.18472   0.00000  -0.00130   0.00267   0.00137   1.18610
   D105       2.79849   0.00000  -0.00148   0.00219   0.00071   2.79920
   D106       0.61315   0.00000  -0.00123   0.00198   0.00075   0.61390
   D107       2.29882   0.00002  -0.00169   0.00243   0.00075   2.29957
   D108       0.11349   0.00002  -0.00144   0.00222   0.00078   0.11427
   D109       1.74110   0.00004  -0.00131   0.00358   0.00228   1.74337
   D110      -0.44424   0.00004  -0.00107   0.00338   0.00231  -0.44193
   D111       2.58153   0.00000  -0.00146   0.00238   0.00093   2.58246
   D112       0.39619   0.00000  -0.00121   0.00217   0.00097   0.39716
   D113       2.24540   0.00000  -0.00173   0.00231   0.00059   2.24599
   D114       0.06007   0.00000  -0.00148   0.00210   0.00062   0.06069
   D115      -1.61122  -0.00001  -0.00046  -0.00030  -0.00076  -1.61198
   D116       2.48663  -0.00001  -0.00021  -0.00051  -0.00073   2.48590
   D117      -1.77198   0.00000  -0.00038   0.00084   0.00046  -1.77152
   D118       2.32587   0.00000  -0.00013   0.00063   0.00049   2.32636
   D119      -2.73450  -0.00001  -0.00034  -0.00044  -0.00078  -2.73528
   D120       1.36335  -0.00001  -0.00009  -0.00065  -0.00075   1.36261
   D121      -2.69857   0.00000  -0.00045   0.00040  -0.00005  -2.69863
   D122       1.39927   0.00000  -0.00020   0.00019  -0.00001   1.39926
   D123       1.32058   0.00000  -0.00165   0.00011  -0.00154   1.31904
   D124      -0.86476   0.00000  -0.00140  -0.00010  -0.00150  -0.86626
   D125       1.29241   0.00000  -0.00159   0.00015  -0.00145   1.29096
   D126      -0.89293   0.00000  -0.00135  -0.00006  -0.00141  -0.89434
   D127       1.64850  -0.00001  -0.00158  -0.00012  -0.00170   1.64680
   D128      -0.53684  -0.00001  -0.00133  -0.00033  -0.00166  -0.53850
   D129       1.77629  -0.00001  -0.00114  -0.00195  -0.00310   1.77320
   D130      -0.40904  -0.00001  -0.00090  -0.00216  -0.00306  -0.41210
   D131       0.89334  -0.00001  -0.00147   0.00002  -0.00145   0.89189
   D132      -1.29199  -0.00001  -0.00123  -0.00018  -0.00141  -1.29341
   D133      -0.95550  -0.00003  -0.00181  -0.00210  -0.00391  -0.95942
   D134      -3.14084  -0.00003  -0.00157  -0.00231  -0.00387   3.13847
   D135      -0.52880   0.00001  -0.00184  -0.00173  -0.00357  -0.53238
   D136      -2.71414   0.00001  -0.00160  -0.00194  -0.00354  -2.71768
   D137      -0.23795  -0.00003  -0.00220  -0.00064  -0.00284  -0.24079
   D138      -2.42329  -0.00003  -0.00196  -0.00084  -0.00280  -2.42609
   D139       0.17018   0.00001  -0.00182   0.00015  -0.00168   0.16850
   D140      -2.01515   0.00001  -0.00157  -0.00006  -0.00164  -2.01680
   D141      -0.30784   0.00001  -0.00148  -0.00196  -0.00344  -0.31128
   D142      -2.49318   0.00001  -0.00123  -0.00217  -0.00340  -2.49658
   D143      -0.05641   0.00000  -0.00129  -0.00306  -0.00435  -0.06076
   D144      -2.24174   0.00000  -0.00105  -0.00326  -0.00432  -2.24606
   D145      -2.47929   0.00001  -0.00056   0.00165   0.00109  -2.47820
   D146      -2.72940   0.00000  -0.00035   0.00167   0.00132  -2.72808
   D147      -2.40642  -0.00001  -0.00006   0.00086   0.00079  -2.40563
   D148       2.99667   0.00000  -0.00081   0.00226   0.00146   2.99813
   D149       2.61199   0.00000  -0.00105   0.00255   0.00151   2.61350
   D150       1.51659  -0.00001  -0.00012  -0.00120  -0.00132   1.51527
   D151       2.61817  -0.00001  -0.00019  -0.00116  -0.00135   2.61682
   D152       2.99206   0.00000  -0.00025  -0.00042  -0.00067   2.99139
   D153       1.17276   0.00000  -0.00212  -0.00094  -0.00306   1.16970
   D154       1.23982   0.00000  -0.00145  -0.00089  -0.00234   1.23748
   D155       1.63295  -0.00001  -0.00120  -0.00095  -0.00215   1.63080
   D156       1.71248  -0.00001  -0.00061  -0.00252  -0.00312   1.70935
   D157       0.89243   0.00000  -0.00105  -0.00122  -0.00227   0.89016
   D158      -0.99407  -0.00003  -0.00146  -0.00330  -0.00475  -0.99883
   D159      -0.67093   0.00000  -0.00155  -0.00267  -0.00422  -0.67515
   D160      -0.71353   0.00000  -0.00166  -0.00168  -0.00333  -0.71686
   D161      -0.40553   0.00001  -0.00211  -0.00184  -0.00398  -0.40951
   D162      -0.29069   0.00002  -0.00139  -0.00259  -0.00397  -0.29467
   D163      -0.01195   0.00001  -0.00157  -0.00239  -0.00397  -0.01591
   D164      -1.29007   0.00000  -0.00065   0.00105   0.00040  -1.28967
   D165       1.65847   0.00000  -0.00055   0.00140   0.00085   1.65932
   D166      -1.66055   0.00000  -0.00044   0.00082   0.00037  -1.66018
   D167       1.28799   0.00000  -0.00035   0.00117   0.00082   1.28881
   D168      -1.73844   0.00001  -0.00042   0.00067   0.00025  -1.73819
   D169       1.21010   0.00001  -0.00033   0.00102   0.00069   1.21079
   D170      -1.99525   0.00003  -0.00046  -0.00136  -0.00180  -1.99706
   D171       0.95329   0.00003  -0.00037  -0.00100  -0.00136   0.95193
   D172      -2.01026   0.00000  -0.00063   0.00145   0.00081  -2.00945
   D173       0.93827   0.00000  -0.00054   0.00180   0.00126   0.93953
   D174      -2.31240   0.00000  -0.00058   0.00121   0.00063  -2.31177
   D175       0.63614   0.00000  -0.00049   0.00157   0.00107   0.63721
   D176       1.97951  -0.00001   0.00019  -0.00148  -0.00129   1.97822
   D177      -1.35514  -0.00001   0.00029  -0.00113  -0.00084  -1.35598
   D178       0.83351  -0.00001   0.00001  -0.00138  -0.00137   0.83213
   D179      -2.50114   0.00000   0.00010  -0.00103  -0.00093  -2.50207
   D180       0.36987   0.00000   0.00008  -0.00068  -0.00060   0.36927
   D181      -2.96478   0.00000   0.00018  -0.00033  -0.00015  -2.96493
   D182      -3.11119   0.00000  -0.00087  -0.00017  -0.00104  -3.11223
   D183      -0.16265   0.00000  -0.00077   0.00018  -0.00059  -0.16325
   D184       2.90799   0.00000  -0.00087  -0.00044  -0.00131   2.90668
   D185      -0.42666   0.00000  -0.00077  -0.00009  -0.00086  -0.42752
   D186       3.06376  -0.00001  -0.00062  -0.00075  -0.00137   3.06238
   D187      -0.27089  -0.00001  -0.00052  -0.00040  -0.00093  -0.27182
   D188       2.97377  -0.00002  -0.00005  -0.00253  -0.00259   2.97118
   D189      -0.36088  -0.00002   0.00004  -0.00218  -0.00214  -0.36302
   D190       2.46195  -0.00002  -0.00088  -0.00078  -0.00166   2.46029
   D191      -0.87270  -0.00001  -0.00079  -0.00043  -0.00122  -0.87391
   D192       0.33539  -0.00003  -0.00116  -0.00368  -0.00483   0.33055
   D193      -2.99926  -0.00002  -0.00107  -0.00332  -0.00439  -3.00365
   D194       0.63994   0.00001  -0.00171  -0.00332  -0.00503   0.63491
   D195      -2.69470   0.00001  -0.00162  -0.00297  -0.00458  -2.69929
   D196       0.43309   0.00002  -0.00255  -0.00254  -0.00508   0.42801
   D197      -2.90155   0.00002  -0.00245  -0.00219  -0.00464  -2.90619
   D198       1.10466   0.00002  -0.00139  -0.00317  -0.00456   1.10010
   D199      -2.22998   0.00003  -0.00129  -0.00282  -0.00411  -2.23410
   D200       1.43594   0.00001  -0.00133  -0.00385  -0.00518   1.43076
   D201      -1.89871   0.00001  -0.00123  -0.00350  -0.00473  -1.90344
   D202       1.61667  -0.00003  -0.00094  -0.00274  -0.00368   1.61299
   D203      -0.59815  -0.00001  -0.00038  -0.00242  -0.00280  -0.60095
   D204       1.68809  -0.00002  -0.00085  -0.00184  -0.00268   1.68540
   D205      -0.52673   0.00000  -0.00028  -0.00153  -0.00181  -0.52854
   D206       1.36806  -0.00001  -0.00055  -0.00085  -0.00140   1.36666
   D207      -0.84676   0.00001   0.00001  -0.00054  -0.00053  -0.84729
   D208       1.20175   0.00000  -0.00027   0.00242   0.00215   1.20390
   D209      -1.01307   0.00002   0.00029   0.00273   0.00302  -1.01004
   D210       2.11932  -0.00002  -0.00070  -0.00182  -0.00252   2.11679
   D211      -0.09550   0.00000  -0.00014  -0.00150  -0.00165  -0.09715
   D212       2.23694  -0.00001  -0.00103  -0.00109  -0.00212   2.23482
   D213       0.02213   0.00001  -0.00047  -0.00078  -0.00125   0.02088
   D214      -2.22367  -0.00001  -0.00070  -0.00045  -0.00115  -2.22483
   D215       1.84469   0.00001  -0.00014  -0.00014  -0.00028   1.84441
   D216      -2.38767  -0.00002  -0.00019  -0.00070  -0.00089  -2.38856
   D217       1.68070   0.00000   0.00037  -0.00038  -0.00002   1.68068
   D218      -1.99467  -0.00002   0.00063  -0.00055   0.00008  -1.99459
   D219       2.07370   0.00000   0.00119  -0.00024   0.00096   2.07465
   D220      -2.09644  -0.00001   0.00265   0.00190   0.00457  -2.09187
   D221       1.97192   0.00001   0.00322   0.00221   0.00545   1.97737
   D222      -2.88303  -0.00001  -0.00038  -0.00114  -0.00153  -2.88456
   D223       1.18534   0.00001   0.00018  -0.00083  -0.00066   1.18468
   D224       3.06314  -0.00002  -0.00051  -0.00151  -0.00204   3.06111
   D225       0.84832   0.00000   0.00005  -0.00120  -0.00116   0.84716
   D226      -2.71334   0.00000  -0.00078  -0.00023  -0.00101  -2.71436
   D227       1.35502   0.00002  -0.00022   0.00008  -0.00014   1.35488
   D228      -2.66013   0.00000  -0.00126   0.00157   0.00031  -2.65982
   D229       1.40824   0.00002  -0.00070   0.00189   0.00119   1.40942
   D230      -1.56666  -0.00002  -0.00107  -0.00035  -0.00142  -1.56808
   D231       2.50170   0.00000  -0.00051  -0.00004  -0.00054   2.50116
   D232      -0.07044   0.00001  -0.00013   0.00251   0.00238  -0.06806
   D233      -2.28526   0.00003   0.00043   0.00282   0.00325  -2.28201
   D234      -0.20031  -0.00001   0.00004   0.00090   0.00093  -0.19938
   D235      -2.41513   0.00001   0.00060   0.00121   0.00181  -2.41333
   D236       0.08293  -0.00003   0.00000  -0.00014  -0.00014   0.08279
   D237      -2.13189  -0.00001   0.00056   0.00017   0.00073  -2.13116
   D238      -0.01879  -0.00002   0.00053   0.00017   0.00071  -0.01809
   D239      -2.23361   0.00000   0.00109   0.00048   0.00158  -2.23203
   D240      -0.59082  -0.00004   0.00001   0.00025   0.00025  -0.59057
   D241      -2.80564  -0.00002   0.00057   0.00056   0.00112  -2.80452
   D242      -0.78041  -0.00004   0.00040  -0.00112  -0.00072  -0.78112
   D243      -2.99522  -0.00002   0.00097  -0.00081   0.00016  -2.99507
   D244      -2.93232  -0.00002   0.00084  -0.00536  -0.00452  -2.93684
   D245      -0.01195  -0.00002   0.00052  -0.00387  -0.00335  -0.01531
   D246      -3.12160   0.00000   0.00099  -0.00444  -0.00345  -3.12505
   D247      -0.20124   0.00000   0.00067  -0.00295  -0.00228  -0.20352
   D248       2.77781   0.00001   0.00111  -0.00372  -0.00261   2.77520
   D249      -0.58501   0.00001   0.00079  -0.00223  -0.00145  -0.58646
   D250       2.54032   0.00003   0.00126  -0.00208  -0.00081   2.53951
   D251      -0.82250   0.00003   0.00094  -0.00059   0.00036  -0.82214
   D252      -2.89261   0.00000   0.00116  -0.00359  -0.00243  -2.89504
   D253       0.02775   0.00000   0.00084  -0.00210  -0.00126   0.02649
   D254      -3.06625   0.00001   0.00071  -0.00236  -0.00165  -3.06790
   D255      -0.14589   0.00001   0.00039  -0.00087  -0.00048  -0.14637
   D256      -0.64968   0.00000   0.00110  -0.00409  -0.00299  -0.65267
   D257       2.27069   0.00000   0.00078  -0.00260  -0.00182   2.26886
   D258      -0.89589   0.00000   0.00146  -0.00410  -0.00265  -0.89854
   D259       2.02447   0.00000   0.00114  -0.00261  -0.00148   2.02299
   D260      -0.73145   0.00000   0.00186  -0.00425  -0.00239  -0.73384
   D261       2.18892   0.00000   0.00154  -0.00276  -0.00122   2.18769
   D262      -0.93380   0.00001   0.00222  -0.00343  -0.00122  -0.93502
   D263       1.98656   0.00001   0.00190  -0.00194  -0.00005   1.98651
   D264      -1.30423   0.00000   0.00152  -0.00424  -0.00273  -1.30696
   D265       1.61613   0.00001   0.00120  -0.00275  -0.00156   1.61457
   D266      -1.54354   0.00000   0.00162  -0.00421  -0.00260  -1.54614
   D267       1.37683   0.00000   0.00130  -0.00272  -0.00143   1.37540
   D268       1.97823   0.00002   0.00108  -0.00354  -0.00246   1.97577
   D269      -1.38459   0.00002   0.00076  -0.00205  -0.00129  -1.38588
   D270       0.85772  -0.00001   0.00095  -0.00389  -0.00294   0.85477
   D271      -2.50511  -0.00001   0.00063  -0.00240  -0.00177  -2.50688
   D272       0.96050  -0.00001   0.00207  -0.00067   0.00142   0.96191
   D273      -2.40233  -0.00001   0.00175   0.00082   0.00258  -2.39974
   D274       1.13338   0.00001   0.00203  -0.00291  -0.00088   1.13250
   D275      -2.22944   0.00001   0.00171  -0.00142   0.00028  -2.22916
   D276       1.59275  -0.00002   0.00187  -0.00341  -0.00154   1.59121
   D277      -1.77007  -0.00002   0.00155  -0.00192  -0.00037  -1.77044
   D278       1.57805   0.00000   0.00218  -0.00304  -0.00085   1.57720
   D279      -1.78478   0.00000   0.00186  -0.00155   0.00032  -1.78446
   D280       0.82296  -0.00002   0.00195  -0.00434  -0.00238   0.82057
   D281      -2.53987  -0.00002   0.00163  -0.00285  -0.00122  -2.54108
   D282       0.79444  -0.00002   0.00239  -0.00637  -0.00398   0.79046
   D283      -2.56839  -0.00002   0.00207  -0.00488  -0.00281  -2.57120
   D284       1.58517  -0.00002  -0.00114  -0.00138  -0.00252   1.58265
   D285      -2.63149  -0.00002  -0.00170  -0.00007  -0.00176  -2.63325
   D286       1.64509   0.00000  -0.00109   0.00064  -0.00045   1.64464
   D287      -2.57157   0.00000  -0.00164   0.00195   0.00031  -2.57127
   D288       1.33476   0.00000  -0.00083   0.00164   0.00082   1.33557
   D289      -2.88191   0.00000  -0.00138   0.00295   0.00157  -2.88034
   D290       1.24397   0.00001  -0.00066   0.00438   0.00372   1.24770
   D291      -2.97269   0.00001  -0.00121   0.00569   0.00448  -2.96821
   D292       2.04044   0.00000  -0.00096   0.00144   0.00048   2.04093
   D293      -2.17622   0.00000  -0.00152   0.00275   0.00124  -2.17498
   D294       2.02210   0.00000  -0.00136   0.00235   0.00099   2.02310
   D295      -2.19456   0.00000  -0.00192   0.00366   0.00175  -2.19281
   D296      -2.29560   0.00000  -0.00089   0.00246   0.00157  -2.29403
   D297      -0.22908   0.00000  -0.00145   0.00377   0.00232  -0.22676
   D298      -2.26899   0.00000  -0.00044   0.00236   0.00192  -2.26707
   D299      -0.20247   0.00000  -0.00100   0.00367   0.00267  -0.19980
   D300      -1.88047   0.00000  -0.00029   0.00239   0.00210  -1.87837
   D301       0.18605   0.00000  -0.00085   0.00370   0.00285   0.18891
   D302      -1.81678   0.00000   0.00008   0.00356   0.00363  -1.81315
   D303       0.24974   0.00000  -0.00048   0.00487   0.00439   0.25413
   D304      -2.61439   0.00001  -0.00020   0.00205   0.00185  -2.61254
   D305      -0.54787   0.00000  -0.00075   0.00336   0.00261  -0.54526
   D306      -2.73896   0.00001   0.00004   0.00238   0.00242  -2.73654
   D307      -0.67244   0.00001  -0.00052   0.00370   0.00317  -0.66927
   D308       1.52226   0.00000  -0.00132   0.00218   0.00086   1.52312
   D309      -2.69440  -0.00001  -0.00188   0.00349   0.00161  -2.69279
   D310       2.62259   0.00000  -0.00115   0.00203   0.00089   2.62348
   D311      -1.59407   0.00000  -0.00171   0.00335   0.00164  -1.59243
   D312       3.00448   0.00002  -0.00140   0.00344   0.00204   3.00651
   D313      -1.21219   0.00002  -0.00196   0.00475   0.00279  -1.20940
   D314      -0.46612   0.00000  -0.00059   0.00354   0.00295  -0.46317
   D315       1.60041   0.00000  -0.00115   0.00485   0.00370   1.60411
   D316      -0.30605   0.00002  -0.00038   0.00253   0.00215  -0.30390
   D317       1.76047   0.00001  -0.00094   0.00384   0.00290   1.76337
   D318       0.12069  -0.00002  -0.00059   0.00247   0.00188   0.12257
   D319       2.18721  -0.00002  -0.00115   0.00378   0.00263   2.18984
   D320       0.25464   0.00001  -0.00025   0.00304   0.00279   0.25743
   D321       2.32117   0.00001  -0.00080   0.00435   0.00354   2.32471
   D322      -0.55320  -0.00001  -0.00015   0.00164   0.00149  -0.55171
   D323       1.51333  -0.00001  -0.00071   0.00295   0.00224   1.51557
   D324      -0.59612  -0.00001   0.00063  -0.00084  -0.00021  -0.59633
   D325       1.47041  -0.00002   0.00007   0.00047   0.00054   1.47095
   D326       0.09926   0.00000   0.00004  -0.00106  -0.00101   0.09825
   D327       2.27202   0.00001   0.00004  -0.00060  -0.00056   2.27146
   D328       0.40527  -0.00001  -0.00010  -0.00207  -0.00216   0.40310
   D329       2.57802  -0.00001  -0.00011  -0.00161  -0.00172   2.57631
   D330       0.77112  -0.00003  -0.00011  -0.00251  -0.00261   0.76851
   D331       2.94388  -0.00002  -0.00012  -0.00205  -0.00216   2.94172
   D332       1.05063  -0.00005  -0.00019  -0.00291  -0.00311   1.04752
   D333      -3.05980  -0.00004  -0.00020  -0.00245  -0.00266  -3.06246
   D334       0.34315  -0.00003  -0.00024  -0.00386  -0.00408   0.33907
   D335       2.51591  -0.00002  -0.00025  -0.00341  -0.00364   2.51228
   D336       0.73619  -0.00005  -0.00008  -0.00674  -0.00679   0.72940
   D337       2.90895  -0.00005  -0.00009  -0.00628  -0.00634   2.90260
   D338      -2.31757   0.00000  -0.00004  -0.00052  -0.00056  -2.31813
   D339      -0.14481   0.00000  -0.00005  -0.00006  -0.00011  -0.14492
   D340      -1.94093  -0.00001  -0.00021  -0.00077  -0.00098  -1.94191
   D341       0.23183   0.00000  -0.00022  -0.00031  -0.00053   0.23130
   D342      -1.89465  -0.00002  -0.00077  -0.00158  -0.00235  -1.89701
   D343       0.27810  -0.00001  -0.00078  -0.00112  -0.00190   0.27620
   D344      -1.59647  -0.00003  -0.00098  -0.00240  -0.00339  -1.59985
   D345       0.57629  -0.00002  -0.00099  -0.00194  -0.00294   0.57335
   D346      -1.57082  -0.00001  -0.00005  -0.00013  -0.00019  -1.57101
   D347       0.60194   0.00000  -0.00006   0.00033   0.00026   0.60220
   D348      -1.27028  -0.00001  -0.00026  -0.00026  -0.00052  -1.27080
   D349       0.90248   0.00000  -0.00026   0.00020  -0.00007   0.90241
   D350       1.86486  -0.00003  -0.00056  -0.00349  -0.00405   1.86081
   D351      -2.24556  -0.00002  -0.00057  -0.00303  -0.00360  -2.24917
   D352       2.29859  -0.00001  -0.00056  -0.00356  -0.00412   2.29447
   D353      -1.81184  -0.00001  -0.00057  -0.00310  -0.00367  -1.81550
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   D355      -1.56143   0.00001  -0.00107  -0.00412  -0.00520  -1.56663
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   D359      -1.48995   0.00001  -0.00028  -0.00182  -0.00210  -1.49205
   D360       1.63554   0.00003  -0.00084   0.00059  -0.00024   1.63529
   D361      -2.47489   0.00003  -0.00085   0.00105   0.00021  -2.47468
   D362       1.81076   0.00001  -0.00126  -0.00099  -0.00226   1.80850
   D363      -2.29966   0.00001  -0.00127  -0.00053  -0.00181  -2.30147
   D364       2.74879   0.00001  -0.00092   0.00053  -0.00039   2.74840
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   D367      -1.36219   0.00002  -0.00145   0.00267   0.00122  -1.36097
   D368       0.06577   0.00001   0.00165   0.00184   0.00348   0.06925
   D369      -2.50974   0.00001   0.01068  -0.00104   0.00964  -2.50010
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   D371      -2.11060   0.00000   0.01055  -0.00113   0.00943  -2.10117
   D372       0.67719   0.00000   0.00190   0.00193   0.00384   0.68103
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   D374       0.94750  -0.00002   0.00205   0.00296   0.00499   0.95249
   D375      -1.62801  -0.00003   0.01109   0.00008   0.01115  -1.61686
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   D377      -1.86910  -0.00001   0.01026  -0.00237   0.00790  -1.86120
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   D379      -1.52945   0.00000   0.01030  -0.00227   0.00804  -1.52141
   D380      -2.74811   0.00002   0.00202   0.00377   0.00579  -2.74232
   D381       0.95956   0.00002   0.01106   0.00089   0.01195   0.97151
   D382      -2.19495   0.00001   0.00246   0.00392   0.00638  -2.18856
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   D384      -1.96125   0.00001   0.00153   0.00378   0.00531  -1.95594
   D385       1.74643   0.00000   0.01056   0.00090   0.01147   1.75790
   D386      -1.63231   0.00000   0.00124   0.00330   0.00453  -1.62778
   D387       2.07537   0.00000   0.01028   0.00042   0.01069   2.08606
   D388      -1.67897  -0.00002   0.00320   0.00464   0.00783  -1.67115
   D389       2.02870  -0.00002   0.01223   0.00176   0.01399   2.04269
   D390      -1.10797  -0.00002   0.00164   0.00408   0.00570  -1.10227
   D391       2.59970  -0.00003   0.01067   0.00120   0.01186   2.61156
   D392       1.79816   0.00000   0.00159   0.00260   0.00418   1.80234
   D393      -0.77735   0.00000   0.01062  -0.00028   0.01034  -0.76701
   D394       2.09745   0.00001   0.00149   0.00255   0.00403   2.10149
   D395      -0.47806   0.00001   0.01052  -0.00033   0.01019  -0.46786
   D396       2.04369   0.00003   0.00112   0.00254   0.00366   2.04735
   D397      -0.53182   0.00002   0.01016  -0.00034   0.00982  -0.52200
   D398       2.24271   0.00005   0.00052   0.00424   0.00476   2.24746
   D399      -0.33280   0.00005   0.00956   0.00136   0.01092  -0.32189
   D400       2.49740   0.00002   0.00155   0.00283   0.00437   2.50177
   D401      -0.07811   0.00002   0.01058  -0.00005   0.01053  -0.06757
   D402      -1.54261   0.00005   0.00134   0.00619   0.00752  -1.53508
   D403       2.16507   0.00005   0.01037   0.00331   0.01369   2.17875
   D404      -2.64018  -0.00003   0.00092   0.00578   0.00669  -2.63349
   D405       1.06750  -0.00003   0.00996   0.00290   0.01286   1.08035
   D406      -2.98990  -0.00001   0.00069   0.00731   0.00800  -2.98190
   D407       0.71777  -0.00001   0.00972   0.00443   0.01416   0.73193
   D408       1.92661   0.00001   0.00182  -0.00522  -0.00339   1.92322
   D409       2.42332   0.00001   0.00134  -0.00677  -0.00541   2.41791
   D410       2.64891  -0.00001   0.00145  -0.00550  -0.00405   2.64485
   D411       2.87815  -0.00002   0.00150  -0.00348  -0.00199   2.87616
   D412       2.85460   0.00003   0.00071  -0.01126  -0.01055   2.84405
   D413      -2.94168   0.00003   0.00028  -0.00772  -0.00745  -2.94913
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   D415      -0.36881   0.00000   0.00160  -0.00285  -0.00125  -0.37006
   D416      -0.05862   0.00000   0.00122  -0.00323  -0.00201  -0.06063
   D417       0.24989   0.00000   0.00128  -0.00295  -0.00168   0.24821
   D418      -0.23464  -0.00002   0.00212  -0.00213  -0.00001  -0.23465
   D419       0.07667  -0.00002   0.00227  -0.00134   0.00093   0.07759
   D420      -2.55954   0.00000   0.00111  -0.00412  -0.00301  -2.56255
   D421      -2.17749   0.00001   0.00124  -0.00402  -0.00277  -2.18026
   D422      -1.93644   0.00002   0.00091  -0.00377  -0.00285  -1.93929
   D423      -1.62369   0.00003   0.00082  -0.00299  -0.00216  -1.62585
   D424      -1.96040   0.00001   0.00161  -0.00406  -0.00245  -1.96285
   D425       1.30825   0.00002   0.00094  -0.00146  -0.00052   1.30774
   D426       2.47094  -0.00004   0.00052  -0.00157  -0.00104   2.46990
   D427       2.94606   0.00000   0.00034  -0.00202  -0.00169   2.94436
   D428      -3.07500   0.00004  -0.00275   0.00602   0.00327  -3.07173
   D429       0.02784   0.00004   0.00039   0.00460   0.00498   0.03283
   D430       0.03912  -0.00002  -0.00413   0.00697   0.00285   0.04197
   D431      -3.14122  -0.00002  -0.00099   0.00555   0.00456  -3.13666
   D432      -0.09140   0.00003   0.00253   0.00964   0.01218  -0.07923
   D433       2.00927   0.00000   0.00281   0.00724   0.01006   2.01933
   D434      -2.18799   0.00003   0.00277   0.00856   0.01133  -2.17665
   D435       3.08698   0.00003  -0.00046   0.01103   0.01057   3.09755
   D436      -1.09553   0.00000  -0.00018   0.00863   0.00846  -1.08707
   D437       0.99039   0.00003  -0.00022   0.00995   0.00973   1.00013
   D438      -2.37199   0.00000  -0.00402   0.00220  -0.00181  -2.37380
   D439      -0.28213   0.00000  -0.00398   0.00187  -0.00211  -0.28424
   D440       1.82534   0.00000  -0.00396   0.00174  -0.00222   1.82312
   D441       0.73280  -0.00001  -0.00102   0.00081  -0.00022   0.73258
   D442       2.82266   0.00000  -0.00098   0.00047  -0.00052   2.82214
   D443      -1.35306   0.00000  -0.00096   0.00034  -0.00062  -1.35368
   D444       0.00187  -0.00002   0.00050  -0.00152  -0.00102   0.00086
   D445       3.11594  -0.00003  -0.00097   0.00100   0.00003   3.11597
   D446      -3.11816   0.00000   0.00071  -0.00164  -0.00093  -3.11909
   D447      -0.00410  -0.00001  -0.00076   0.00088   0.00012  -0.00398
   D448       2.42301  -0.00001  -0.00137  -0.00141  -0.00277   2.42024
   D449      -1.77591  -0.00001  -0.00145  -0.00157  -0.00302  -1.77893
   D450       0.33201  -0.00002  -0.00137  -0.00213  -0.00351   0.32851
   D451      -0.69236   0.00000   0.00004  -0.00381  -0.00377  -0.69613
   D452       1.39191   0.00000  -0.00004  -0.00397  -0.00402   1.38789
   D453      -2.78336  -0.00001   0.00003  -0.00453  -0.00450  -2.78786
   D454       2.06434  -0.00001   0.00119  -0.00362  -0.00243   2.06191
   D455      -2.13417  -0.00001   0.00124  -0.00382  -0.00258  -2.13675
   D456      -0.04056  -0.00001   0.00132  -0.00395  -0.00263  -0.04318
   D457      -1.10343  -0.00001  -0.00021  -0.00121  -0.00143  -1.10486
   D458       0.98125  -0.00002  -0.00016  -0.00142  -0.00157   0.97967
   D459       3.07486  -0.00002  -0.00009  -0.00154  -0.00162   3.07324
   D460      -3.08294  -0.00003  -0.00148  -0.00126  -0.00274  -3.08568
   D461      -0.02853  -0.00003  -0.00093   0.00091  -0.00001  -0.02854
   D462       0.07094  -0.00001  -0.00116  -0.00085  -0.00201   0.06893
   D463       3.12535  -0.00001  -0.00061   0.00133   0.00072   3.12607
   D464       1.94076   0.00000   0.00208  -0.00423  -0.00215   1.93861
   D465      -2.25923  -0.00001   0.00207  -0.00440  -0.00232  -2.26156
   D466      -0.16595   0.00000   0.00219  -0.00464  -0.00244  -0.16839
   D467      -1.11715   0.00000   0.00154  -0.00633  -0.00479  -1.12194
   D468       0.96604  -0.00001   0.00153  -0.00649  -0.00496   0.96108
   D469       3.05932   0.00000   0.00165  -0.00674  -0.00508   3.05424
   D470      -1.64696   0.00000  -0.00285   0.00355   0.00070  -1.64626
   D471       0.45700   0.00001  -0.00303   0.00370   0.00067   0.45768
   D472       2.54966   0.00000  -0.00282   0.00278  -0.00004   2.54962
   D473       1.41134   0.00000  -0.00232   0.00566   0.00334   1.41468
   D474      -2.76789   0.00001  -0.00249   0.00581   0.00331  -2.76458
   D475      -0.67523   0.00000  -0.00229   0.00489   0.00260  -0.67263
   D476       0.01183   0.00002  -0.00416  -0.00263  -0.00680   0.00503
   D477      -3.05599   0.00007  -0.00105   0.00320   0.00216  -3.05384
   D478       3.12454  -0.00004  -0.00427  -0.00075  -0.00503   3.11951
   D479       0.05673   0.00000  -0.00116   0.00508   0.00392   0.06065
   D480      -0.33085   0.00005   0.00320   0.01225   0.01545  -0.31540
   D481       1.77612   0.00005   0.00227   0.01193   0.01419   1.79031
   D482      -2.42270   0.00004   0.00313   0.01203   0.01516  -2.40754
   D483       2.74063   0.00000   0.00026   0.00676   0.00701   2.74764
   D484      -1.43558   0.00000  -0.00068   0.00643   0.00575  -1.42983
   D485       0.64879  -0.00001   0.00019   0.00653   0.00672   0.65550
   D486      -0.08367   0.00001  -0.00086  -0.00676  -0.00762  -0.09130
   D487       2.01301  -0.00006  -0.00071  -0.00739  -0.00810   2.00491
   D488      -2.18622  -0.00004  -0.00064  -0.00731  -0.00796  -2.19418
   D489       3.12792   0.00006   0.00210  -0.00123   0.00087   3.12879
   D490      -1.05858  -0.00001   0.00225  -0.00186   0.00040  -1.05818
   D491       1.02538   0.00001   0.00232  -0.00179   0.00054   1.02592
         Item               Value     Threshold  Converged?
 Maximum Force            0.000254     0.000450     YES
 RMS     Force            0.000026     0.000300     YES
 Maximum Displacement     0.022161     0.001800     NO 
 RMS     Displacement     0.002823     0.001200     NO 
 Predicted change in Energy=-9.893500D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:39:57 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.830964   -0.598405    1.672962
      2          6           0       -2.069311    1.117040   -1.361107
      3          8           0       -2.620551    0.137026   -1.892106
      4          7           0       -0.777713    1.161998   -0.935550
      5          1           0       -2.616856    2.059742   -1.160106
      6          6           0       -0.237037    2.331284   -0.242622
      7          1           0       -0.992864    3.128519   -0.216466
      8          1           0        0.042884    2.060485    0.786963
      9          1           0        0.660052    2.697073   -0.768354
     10          6           0        0.130357    0.025575   -1.106456
     11          1           0        0.699125   -0.124110   -0.175467
     12          1           0       -0.453555   -0.877349   -1.327883
     13          1           0        0.839567    0.218157   -1.928429
     14          6           0       -2.001591   -4.010332    2.610528
     15          8           0       -2.116775   -3.863836    3.839418
     16          7           0       -2.948181   -3.698522    1.683889
     17          1           0       -1.073156   -4.402927    2.150066
     18          6           0       -4.246050   -3.136180    2.065398
     19          1           0       -4.513761   -2.339223    1.353816
     20          1           0       -5.029030   -3.912313    2.037316
     21          1           0       -4.179972   -2.718733    3.078368
     22          6           0       -2.707671   -3.878069    0.251929
     23          1           0       -3.422177   -4.605669   -0.166753
     24          1           0       -2.841047   -2.915957   -0.269611
     25          1           0       -1.681790   -4.238030    0.092060
     26          6           0        1.544663    0.383180    2.621213
     27          8           0        1.364274    1.396226    3.318118
     28          7           0        1.174696   -0.882558    2.957437
     29          1           0        2.028500    0.431927    1.625808
     30          6           0        1.490142   -2.027305    2.102634
     31          1           0        2.239819   -2.674116    2.588765
     32          1           0        0.579431   -2.622741    1.926907
     33          1           0        1.880848   -1.671085    1.139767
     34          6           0        0.534338   -1.169895    4.243377
     35          1           0        1.283661   -1.478999    4.992062
     36          1           0        0.014507   -0.270505    4.597477
     37          1           0       -0.188910   -1.987222    4.108777
     38          6           0       -4.606738    1.109517    2.906657
     39          8           0       -4.860929    1.687722    1.835669
     40          7           0       -3.530677    1.357068    3.702055
     41          1           0       -5.247374    0.295453    3.301969
     42          6           0       -2.534115    2.375183    3.357137
     43          1           0       -2.616981    2.621461    2.290600
     44          1           0       -2.691721    3.284992    3.959616
     45          1           0       -1.528925    1.978765    3.567645
     46          6           0       -3.252926    0.552641    4.892354
     47          1           0       -4.070685   -0.162429    5.056533
     48          1           0       -2.307894   -0.000279    4.757271
     49          1           0       -3.154171    1.205886    5.774247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.493585   0.000000
     3  O    3.724784   1.243484   0.000000
     4  N    3.318538   1.360641   2.315516   0.000000
     5  H    3.963540   1.108555   2.057346   2.058838   0.000000
     6  C    3.846185   2.466297   3.635478   1.462775   2.564966
     7  H    4.261727   2.552448   3.795545   2.104894   2.161040
     8  H    3.371350   3.156843   4.239220   2.108960   3.296255
     9  H    4.798475   3.208938   4.310338   2.109877   3.361218
    10  C    3.458511   2.468741   2.863068   1.464670   3.418756
    11  H    3.169068   3.257366   3.746370   2.100679   4.090777
    12  H    3.313629   2.566975   2.458287   2.101889   3.651647
    13  H    4.557250   3.097001   3.461259   2.119490   3.991066
    14  C    3.542511   6.486017   6.152837   6.389487   7.172310
    15  O    3.929155   7.201170   7.007929   7.060625   7.767504
    16  N    3.295303   5.764899   5.254190   5.932710   6.430839
    17  H    3.908489   6.617454   6.272540   6.369985   7.423365
    18  C    3.525188   5.879542   5.386833   6.285649   6.328962
    19  H    3.213985   5.029105   4.500229   5.608725   5.410078
    20  H    4.619781   6.753045   6.135005   7.256739   7.190796
    21  H    3.462484   6.235141   5.940771   6.538117   6.575851
    22  C    3.680237   5.287769   4.552522   5.526039   6.104071
    23  H    4.687716   6.000511   5.110050   6.391418   6.786973
    24  H    3.188246   4.248766   3.464364   4.618500   5.059726
    25  H    3.970941   5.562252   4.894824   5.570784   6.488775
    26  C    3.641091   5.427544   6.146515   4.318629   5.867493
    27  O    4.110308   5.810559   6.679135   4.768298   6.028610
    28  N    3.280946   5.759496   6.241916   4.811181   6.323540
    29  H    3.994905   5.116941   5.837495   3.868900   5.656008
    30  C    3.640895   5.878275   6.126995   4.954330   6.649576
    31  H    4.660315   6.967277   7.183586   6.020138   7.749241
    32  H    3.157915   5.640287   5.695705   4.935560   6.455351
    33  H    3.900319   5.443507   5.720499   4.404685   6.279955
    34  C    3.539532   6.589333   7.021789   5.829279   7.039760
    35  H    4.636028   7.638363   8.077510   6.808870   8.098512
    36  H    3.473625   6.463150   7.016003   5.770102   6.745657
    37  H    3.249361   6.564449   6.814389   5.975744   7.073470
    38  C    3.484813   4.965118   5.283824   5.424642   4.626135
    39  O    3.799150   4.282311   4.617386   4.962730   3.761507
    40  N    3.290915   5.275303   5.797540   5.396689   4.996943
    41  H    3.889023   5.702575   5.822689   6.219753   5.471970
    42  C    3.488996   4.905180   5.707133   4.794156   4.528999
    43  H    3.371474   3.987253   4.864921   3.990111   3.496127
    44  H    4.588079   5.779058   6.645104   5.668614   5.264827
    45  H    3.212920   5.032611   5.864514   4.637908   4.851987
    46  C    3.702886   6.389465   6.826531   6.361011   6.269626
    47  H    4.081051   6.843146   7.104656   6.964397   6.760049
    48  H    3.177763   6.224136   6.658139   6.008374   6.273316
    49  H    4.671925   7.217900   7.758877   7.118346   7.007355
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098882   0.000000
     8  H    1.100787   1.794530   0.000000
     9  H    1.102255   1.795232   1.790294   0.000000
    10  C    2.489475   3.417890   2.780926   2.744412   0.000000
    11  H    2.628663   3.666620   2.475759   2.883075   1.101201
    12  H    3.394112   4.192026   3.653751   3.785458   1.097841
    13  H    2.909696   3.841722   3.376719   2.742813   1.102591
    14  C    7.174273   7.744199   6.660337   7.968091   5.886401
    15  O    7.653495   8.161275   7.005655   8.484567   6.681227
    16  N    6.886241   7.351402   6.551116   7.741866   5.579635
    17  H    7.195391   7.894910   6.699201   7.869637   5.627167
    18  C    7.161865   7.418665   6.858184   8.131841   6.261812
    19  H    6.530896   6.690194   6.359384   7.525704   5.763075
    20  H    8.194133   8.422796   7.934861   9.160865   7.211764
    21  H    7.216535   7.429936   6.776724   8.219128   6.604764
    22  C    6.701095   7.228570   6.566448   7.457548   5.013785
    23  H    7.633623   8.106893   7.573232   8.387882   5.912018
    24  H    5.857912   6.320942   5.847939   6.634196   4.264055
    25  H    6.734628   7.405124   6.567243   7.370224   4.785253
    26  C    3.895012   4.693437   2.903992   4.198310   4.002956
    27  O    4.014648   4.588052   2.931563   4.345963   4.793547
    28  N    4.749963   5.555242   3.827984   5.192315   4.293085
    29  H    3.497319   4.449069   2.701580   3.568690   3.351617
    30  C    5.242201   6.174631   4.531620   5.590293   4.044947
    31  H    6.261437   7.210418   5.521726   6.528061   5.039129
    32  H    5.469538   6.335863   4.849739   5.964173   4.051733
    33  H    4.734490   5.756196   4.174590   4.920577   3.314875
    34  C    5.742601   6.379570   4.756437   6.331406   5.496642
    35  H    6.650766   7.317141   5.634744   7.142189   6.386374
    36  H    5.500831   5.978479   4.467029   6.165663   5.712788
    37  H    6.130782   6.747213   5.241385   6.815407   5.599280
    38  C    5.523129   5.185591   5.197733   6.615521   6.302386
    39  O    5.110170   4.609672   5.028530   6.187161   6.027583
    40  N    5.230453   4.993330   4.665073   6.272351   6.188524
    41  H    6.466235   6.205361   6.117796   7.565249   6.958953
    42  C    4.270451   3.964039   3.653184   5.227427   5.704711
    43  H    3.487915   3.029892   3.106526   4.483511   5.081976
    44  H    4.959217   4.511126   4.363853   5.825267   6.652294
    45  H    4.038734   3.991089   3.195224   4.910038   5.330608
    46  C    6.215073   6.151672   5.476331   7.207885   6.907251
    47  H    6.999750   6.935982   6.331827   8.030314   7.461001
    48  H    5.892670   6.021357   5.053341   6.827660   6.350514
    49  H    6.780774   6.652549   5.985358   7.718651   7.715266
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795579   0.000000
    13  H    1.791577   1.798042   0.000000
    14  C    5.491661   5.265271   6.823081   0.000000
    15  O    6.167183   6.195677   7.659680   1.242940   0.000000
    16  N    5.434746   4.822131   6.537298   1.360852   2.316219
    17  H    5.182408   4.990966   6.453453   1.108218   2.057588
    18  C    6.208767   5.567737   7.284624   2.469596   2.865387
    19  H    5.866822   5.080733   6.780224   3.268475   3.774680
    20  H    7.215168   6.439763   8.199290   3.082786   3.425077
    21  H    6.412885   6.057386   7.673924   2.575354   2.479363
    22  C    5.087349   4.071997   5.840884   2.465570   3.635855
    23  H    6.088479   4.905233   6.673475   3.175812   4.278294
    24  H    4.509555   3.313002   5.110898   3.193360   4.278688
    25  H    4.760741   3.849542   5.504291   2.548882   3.791033
    26  C    2.965416   4.601866   4.606912   5.646147   5.738231
    27  O    3.867684   5.482607   5.402724   6.407854   6.329116
    28  N    3.258297   4.584234   5.019520   4.471254   4.527658
    29  H    2.306730   4.074198   3.753912   6.078237   6.366864
    30  C    3.072068   4.107165   4.659917   4.047536   4.404443
    31  H    4.064141   5.081610   5.543554   4.446965   4.686094
    32  H    3.267638   3.834985   4.796039   3.009056   3.530941
    33  H    2.349349   3.488374   3.750644   4.765348   5.298799
    34  C    4.543897   5.665727   6.333329   4.143092   3.801171
    35  H    5.374082   6.581915   7.139381   4.782492   4.310336
    36  H    4.824016   5.974717   6.595981   4.690301   4.246062
    37  H    4.755474   5.555099   6.509172   3.102182   2.703867
    38  C    6.258874   6.255229   7.337221   5.752159   5.639521
    39  O    6.183979   6.001049   6.987396   6.422152   6.508855
    40  N    5.926238   6.305679   7.217930   5.686697   5.410715
    41  H    6.901408   6.766956   8.025826   5.436265   5.233468
    42  C    5.401814   6.071005   6.631116   6.451031   6.271534
    43  H    4.961472   5.478641   5.960185   6.667963   6.686413
    44  H    6.341824   7.091694   7.519611   7.451045   7.172919
    45  H    4.837062   5.768882   6.238295   6.083483   5.878385
    46  C    6.462159   6.969412   7.961373   5.252931   4.680255
    47  H    7.079998   7.372619   8.546644   5.007039   4.358847
    48  H    5.778356   6.421598   7.392754   4.558821   3.975683
    49  H    7.212203   7.878670   8.732512   6.208582   5.524658
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056509   0.000000
    18  C    1.465005   3.417466   0.000000
    19  H    2.099448   4.090312   1.101435   0.000000
    20  H    2.121450   3.987776   1.102828   1.790891   0.000000
    21  H    2.102823   3.653842   1.097605   1.797087   1.797031
    22  C    1.463077   2.559305   2.491120   2.616135   2.928736
    23  H    2.114820   3.305550   2.796545   2.939467   2.814364
    24  H    2.107143   3.345349   2.734008   2.401272   3.331953
    25  H    2.104457   2.152444   3.418123   3.635596   3.885117
    26  C    6.142029   5.475561   6.799057   6.761824   7.874366
    27  O    6.872004   6.398092   7.320365   7.236252   8.408055
    28  N    5.152640   4.254137   5.937932   6.087036   6.965074
    29  H    6.467715   5.768095   7.231501   7.110163   8.297620
    30  C    4.760990   3.495186   5.842507   6.058454   6.786540
    31  H    5.365031   3.762585   6.523336   6.873724   7.394146
    32  H    3.695999   2.439242   4.854695   5.133168   5.755869
    33  H    5.265558   4.148470   6.367274   6.432981   7.319503
    34  C    5.007282   4.173545   5.609098   5.932975   6.583208
    35  H    5.811951   4.709658   6.472195   6.898327   7.382521
    36  H    5.386819   4.924402   5.725021   5.941897   6.727143
    37  H    4.052432   3.233275   4.685711   5.139849   5.605684
    38  C    5.230985   6.591333   4.343242   3.783353   5.113987
    39  O    5.717803   7.179281   4.868355   4.070502   5.606185
    40  N    5.474604   6.451792   4.835255   4.488123   5.725626
    41  H    4.884292   6.389503   3.782573   3.357827   4.399127
    42  C    6.313565   7.038053   5.913919   5.491622   6.891962
    43  H    6.357671   7.193412   5.987906   5.392932   6.969386
    44  H    7.349434   8.062154   6.872806   6.460791   7.807654
    45  H    6.147716   6.553109   5.983492   5.696955   7.021214
    46  C    5.334744   6.068706   4.752407   4.740657   5.589418
    47  H    5.013850   5.951012   4.221473   4.317969   4.908739
    48  H    4.851046   5.263592   4.564702   4.681881   5.486962
    49  H    6.389576   6.994576   5.813888   5.827220   6.608760
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391237   0.000000
    23  H    3.829568   1.102369   0.000000
    24  H    3.611175   1.102475   1.789810   0.000000
    25  H    4.179380   1.098891   1.797524   1.795149   0.000000
    26  C    6.527044   6.469473   7.571715   6.202872   6.177555
    27  O    6.908620   7.334878   8.430729   7.010810   7.171527
    28  N    5.662034   5.600503   6.689796   5.538479   5.256338
    29  H    7.112082   6.549421   7.635478   6.205919   6.158500
    30  C    5.794853   4.946925   5.994077   5.017614   4.357851
    31  H    6.438588   5.602496   6.586499   5.834724   4.904934
    32  H    4.897652   3.896978   4.932371   4.075578   3.330006
    33  H    6.448975   5.168514   6.200069   5.082554   4.514342
    34  C    5.097143   5.811754   6.848928   5.899918   5.617661
    35  H    5.920342   6.644932   7.650775   6.838368   6.357371
    36  H    5.088730   6.269654   7.300845   6.232268   6.238386
    37  H    4.186338   4.979431   5.965772   5.202564   4.840335
    38  C    3.855789   5.960708   6.596392   5.423171   6.713682
    39  O    4.628699   6.174365   6.759177   5.450320   6.947059
    40  N    4.174054   6.323557   7.108705   5.874391   6.910541
    41  H    3.205411   5.759437   6.275697   5.372127   6.600710
    42  C    5.360461   6.983953   7.870118   6.422124   7.424404
    43  H    5.619714   6.812363   7.675828   6.104743   7.263662
    44  H    6.247897   8.065770   8.934374   7.507359   8.519027
    45  H    5.416081   6.832709   7.802878   6.356454   7.124015
    46  C    3.853809   6.439102   7.227127   6.232712   6.961452
    47  H    3.234156   6.224789   6.888081   6.120599   6.852980
    48  H    3.703159   5.957783   6.833539   5.835665   6.333619
    49  H    4.870592   7.519439   8.315136   7.322285   8.005709
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242771   0.000000
    28  N    1.360887   2.314927   0.000000
    29  H    1.107838   2.057908   2.056718   0.000000
    30  C    2.466238   3.635080   1.463093   2.562228   0.000000
    31  H    3.135498   4.226845   2.116622   3.258749   1.103042
    32  H    3.232537   4.324760   2.108215   3.394328   1.102189
    33  H    2.554938   3.797429   2.103415   2.163492   1.098480
    34  C    2.462563   2.851294   1.465013   3.413213   2.496296
    35  H    3.026013   3.327988   2.123043   3.941839   2.948231
    36  H    2.583467   2.497323   2.100090   3.657923   3.389408
    37  H    3.291949   3.805948   2.098878   4.115134   2.616377
    38  C    6.200708   5.992035   6.115220   6.791618   6.903481
    39  O    6.584111   6.405917   6.655334   7.006089   7.362662
    40  N    5.279750   4.910141   5.264116   6.005925   6.262648
    41  H    6.826631   6.702675   6.538301   7.467695   7.226875
    42  C    4.598488   4.019616   4.952566   5.252732   6.095106
    43  H    4.736929   4.290383   5.205731   5.178465   6.206031
    44  H    5.306486   4.519962   5.772523   5.988917   7.011195
    45  H    3.590065   2.961793   3.983602   4.338054   5.225860
    46  C    5.310712   4.950595   5.040589   6.211148   6.077446
    47  H    6.144966   5.915258   5.695508   7.023047   6.567045
    48  H    4.421762   4.184041   4.018239   5.366300   5.057767
    49  H    5.718174   5.146372   5.570916   6.683460   6.745658
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788179   0.000000
    33  H    1.798478   1.794137   0.000000
    34  C    2.812310   2.734745   3.420041   0.000000
    35  H    2.849277   3.346530   3.903038   1.103430   0.000000
    36  H    3.842432   3.603346   4.171405   1.097503   1.796359
    37  H    2.946351   2.398914   3.633024   1.099649   1.790795
    38  C    7.828938   6.464210   7.276154   5.780416   6.763588
    39  O    8.367401   6.941609   7.564220   6.562922   7.599140
    40  N    7.126604   5.990244   6.709668   4.816941   5.734566
    41  H    8.086102   6.660203   7.704151   6.038351   6.975637
    42  C    6.991156   6.059618   6.385994   4.771625   5.665961
    43  H    7.191700   6.152315   6.323041   5.302691   6.271099
    44  H    7.855590   7.052210   7.309080   5.507631   6.290089
    45  H    6.067202   5.320812   5.553607   3.824621   4.679288
    46  C    6.774122   5.793435   6.736654   4.210899   4.971733
    47  H    7.226404   6.121378   7.282709   4.783560   5.514212
    48  H    5.703816   4.819223   5.781305   3.116147   3.891145
    49  H    7.368639   6.587883   7.423395   4.646827   5.245453
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796476   0.000000
    38  C    5.110698   5.527395   0.000000
    39  O    5.935665   6.363961   1.243362   0.000000
    40  N    4.002388   4.745220   1.360826   2.315664   0.000000
    41  H    5.448489   5.607994   1.108777   2.058589   2.057703
    42  C    3.877316   5.009544   2.469942   2.863832   1.465832
    43  H    4.539810   5.517360   2.573836   2.472677   2.103743
    44  H    4.513546   5.838027   3.083619   3.430436   2.118272
    45  H    2.915811   4.221080   3.265797   3.766523   2.100377
    46  C    3.382402   4.056241   2.466964   3.635575   1.463236
    47  H    4.112324   4.392754   2.554832   3.797566   2.105965
    48  H    2.343523   2.976337   3.152951   4.231205   2.109756
    49  H    3.688501   4.665030   3.215946   4.319442   2.111537
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419078   0.000000
    43  H    3.654058   1.097734   0.000000
    44  H    3.987632   1.102531   1.797630   0.000000
    45  H    4.090352   1.100848   1.796599   1.792196   0.000000
    46  C    2.563843   2.489024   3.384312   2.941207   2.600166
    47  H    2.161654   3.418841   4.184935   3.871626   3.641709
    48  H    3.293312   2.766653   3.612965   3.402438   2.436928
    49  H    3.364899   2.755748   3.798449   2.798111   2.847430
                   46         47         48         49
    46  C    0.000000
    47  H    1.098640   0.000000
    48  H    1.103201   1.795351   0.000000
    49  H    1.101916   1.796496   1.790324   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144200      0.1943489      0.1846607
 Leave Link  202 at Mon Nov 14 03:39:57 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.9771725129 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1840597819 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.7931127311 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4040
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.27D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     226
 GePol: Fraction of low-weight points (<1% of avg)   =       5.59%
 GePol: Cavity surface area                          =    467.718 Ang**2
 GePol: Cavity volume                                =    458.115 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039974698 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.7891152612 Hartrees.
 Leave Link  301 at Mon Nov 14 03:39:57 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37494.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:39:58 2016, MaxMem=  2952790016 cpu:        15.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:39:59 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001361   -0.000697    0.001422
         Rot=    1.000000    0.000024    0.000042   -0.000009 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50903438849    
 Leave Link  401 at Mon Nov 14 03:40:05 2016, MaxMem=  2952790016 cpu:        78.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48964800.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.99D-15 for   2596.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.34D-15 for   1903    990.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.22D-15 for   3657.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.62D-06 for   2483   2474.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.07D-14 for     48.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.23D-14 for   1974    291.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for    205.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.01D-15 for   3190    423.
 E= -1013.45127012615    
 DIIS: error= 1.95D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45127012615     IErMin= 1 ErrMin= 1.95D-04
 ErrMax= 1.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.43D-05 BMatP= 6.43D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.95D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.93D-05 MaxDP=1.49D-03              OVMax= 2.45D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.92D-05    CP:  1.00D+00
 E= -1013.45138505205     Delta-E=       -0.000114925899 Rises=F Damp=F
 DIIS: error= 5.43D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45138505205     IErMin= 2 ErrMin= 5.43D-05
 ErrMax= 5.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-06 BMatP= 6.43D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.462D-01 0.954D+00
 Coeff:      0.462D-01 0.954D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=7.39D-04 DE=-1.15D-04 OVMax= 1.43D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.33D-05    CP:  1.00D+00  9.53D-01
 E= -1013.45137378999     Delta-E=        0.000011262059 Rises=F Damp=F
 DIIS: error= 1.56D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45138505205     IErMin= 2 ErrMin= 5.43D-05
 ErrMax= 1.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-05 BMatP= 2.43D-06
 IDIUse=3 WtCom= 4.44D-01 WtEn= 5.56D-01
 Coeff-Com:  0.328D-02 0.723D+00 0.274D+00
 Coeff-En:   0.000D+00 0.803D+00 0.197D+00
 Coeff:      0.146D-02 0.768D+00 0.231D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.54D-06 MaxDP=5.12D-04 DE= 1.13D-05 OVMax= 9.79D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.66D-06    CP:  1.00D+00  9.75D-01  3.95D-01
 E= -1013.45138693223     Delta-E=       -0.000013142243 Rises=F Damp=F
 DIIS: error= 1.64D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45138693223     IErMin= 4 ErrMin= 1.64D-05
 ErrMax= 1.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-07 BMatP= 2.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.841D-04 0.287D+00 0.265D-01 0.687D+00
 Coeff:     -0.841D-04 0.287D+00 0.265D-01 0.687D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.64D-06 MaxDP=6.99D-05 DE=-1.31D-05 OVMax= 9.46D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.54D-07    CP:  1.00D+00  9.80D-01  2.94D-01  8.09D-01
 E= -1013.45138716394     Delta-E=       -0.000000231708 Rises=F Damp=F
 DIIS: error= 3.05D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45138716394     IErMin= 5 ErrMin= 3.05D-06
 ErrMax= 3.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-08 BMatP= 2.70D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.123D-04 0.136D+00 0.466D-02 0.396D+00 0.464D+00
 Coeff:     -0.123D-04 0.136D+00 0.466D-02 0.396D+00 0.464D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.20D-07 MaxDP=1.94D-05 DE=-2.32D-07 OVMax= 1.61D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.51D-07    CP:  1.00D+00  9.81D-01  2.94D-01  8.04D-01  7.41D-01
 E= -1013.45138717586     Delta-E=       -0.000000011919 Rises=F Damp=F
 DIIS: error= 6.25D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45138717586     IErMin= 6 ErrMin= 6.25D-07
 ErrMax= 6.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-10 BMatP= 1.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.166D-04 0.516D-01 0.121D-02 0.158D+00 0.218D+00 0.571D+00
 Coeff:     -0.166D-04 0.516D-01 0.121D-02 0.158D+00 0.218D+00 0.571D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.92D-08 MaxDP=3.12D-06 DE=-1.19D-08 OVMax= 4.44D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.35D-08    CP:  1.00D+00  9.80D-01  2.94D-01  8.03D-01  7.46D-01
                    CP:  8.95D-01
 E= -1013.45138717601     Delta-E=       -0.000000000145 Rises=F Damp=F
 DIIS: error= 4.44D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45138717601     IErMin= 7 ErrMin= 4.44D-07
 ErrMax= 4.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-10 BMatP= 2.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-04 0.131D-01 0.403D-04 0.439D-01 0.753D-01 0.401D+00
 Coeff-Com:  0.467D+00
 Coeff:     -0.128D-04 0.131D-01 0.403D-04 0.439D-01 0.753D-01 0.401D+00
 Coeff:      0.467D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.08D-08 MaxDP=2.11D-06 DE=-1.45D-10 OVMax= 2.65D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.33D-08    CP:  1.00D+00  9.81D-01  2.95D-01  8.04D-01  7.43D-01
                    CP:  9.03D-01  6.92D-01
 E= -1013.45138717609     Delta-E=       -0.000000000083 Rises=F Damp=F
 DIIS: error= 2.09D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45138717609     IErMin= 8 ErrMin= 2.09D-07
 ErrMax= 2.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-11 BMatP= 1.22D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.865D-05 0.532D-02-0.442D-04 0.187D-01 0.356D-01 0.234D+00
 Coeff-Com:  0.324D+00 0.382D+00
 Coeff:     -0.865D-05 0.532D-02-0.442D-04 0.187D-01 0.356D-01 0.234D+00
 Coeff:      0.324D+00 0.382D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.26D-08 MaxDP=8.66D-07 DE=-8.28D-11 OVMax= 1.56D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.44D-09    CP:  1.00D+00  9.81D-01  2.95D-01  8.04D-01  7.47D-01
                    CP:  8.97D-01  7.06D-01  6.81D-01
 E= -1013.45138717612     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 6.62D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45138717612     IErMin= 9 ErrMin= 6.62D-08
 ErrMax= 6.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-12 BMatP= 1.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.254D-05 0.530D-03-0.419D-04 0.253D-02 0.718D-02 0.719D-01
 Coeff-Com:  0.122D+00 0.285D+00 0.510D+00
 Coeff:     -0.254D-05 0.530D-03-0.419D-04 0.253D-02 0.718D-02 0.719D-01
 Coeff:      0.122D+00 0.285D+00 0.510D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.01D-09 MaxDP=2.86D-07 DE=-3.27D-11 OVMax= 5.33D-07

 Error on total polarization charges =  0.04322
 SCF Done:  E(RB97D) =  -1013.45138718     A.U. after    9 cycles
            NFock=  9  Conv=0.50D-08     -V/T= 2.0213
 KE= 9.923518646569D+02 PE=-6.029142376192D+03 EE= 2.174550009098D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:41:56 2016, MaxMem=  2952790016 cpu:      1271.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37494.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 03:42:04 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:42:05 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:42:41 2016, MaxMem=  2952790016 cpu:       442.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23421075D+00-2.54980968D+00 3.31801231D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000426385    0.000746656   -0.000316320
      2        6          -0.000269562   -0.000009448   -0.000039743
      3        8           0.000070073    0.000014562   -0.000070795
      4        7          -0.000167882   -0.000034494   -0.000029167
      5        1           0.000176075    0.000028000    0.000169457
      6        6          -0.000027683    0.000598122   -0.000361943
      7        1          -0.000056827   -0.000037435   -0.000092987
      8        1           0.000095310   -0.000430673    0.000736909
      9        1           0.000017687   -0.000048910   -0.000113215
     10        6           0.000128520   -0.000105959    0.000255052
     11        1          -0.000019440    0.000036075   -0.000063191
     12        1           0.000045478    0.000006518   -0.000023696
     13        1           0.000003485    0.000072863    0.000034660
     14        6           0.000106323   -0.000046173    0.000023665
     15        8          -0.000064487    0.000028004   -0.000100797
     16        7          -0.000008648    0.000023964    0.000036351
     17        1           0.000029052   -0.000003926   -0.000007522
     18        6          -0.000044983   -0.000164589    0.000080316
     19        1           0.000039602    0.000076632   -0.000166128
     20        1          -0.000008606   -0.000004041   -0.000048113
     21        1           0.000049052   -0.000025848   -0.000017964
     22        6          -0.000009068   -0.000006240   -0.000090093
     23        1           0.000043937    0.000000176   -0.000071407
     24        1           0.000018207   -0.000022207   -0.000046640
     25        1           0.000015152    0.000024366   -0.000026371
     26        6          -0.000002269   -0.000011439    0.000032863
     27        8           0.000005262   -0.000028582   -0.000098871
     28        7          -0.000102842   -0.000077923    0.000050127
     29        1           0.000023122    0.000055268    0.000041068
     30        6          -0.000123504   -0.000072234    0.000005267
     31        1          -0.000024545    0.000014755    0.000015432
     32        1           0.000047427    0.000024955    0.000008986
     33        1           0.000010748    0.000015244   -0.000010692
     34        6          -0.000095447    0.000122122    0.000103223
     35        1          -0.000020956   -0.000032072    0.000025556
     36        1          -0.000022014   -0.000062734    0.000015176
     37        1           0.000011576   -0.000031610   -0.000008197
     38        6          -0.000384754    0.000072054   -0.000253655
     39        8           0.000232872   -0.000389028    0.000459862
     40        7           0.000160872   -0.000127634   -0.000016064
     41        1          -0.000003996   -0.000015158   -0.000102474
     42        6          -0.000354215   -0.000361804    0.000253053
     43        1           0.000102153    0.000097182   -0.000022230
     44        1           0.000385682    0.000139860   -0.000093704
     45        1          -0.000107869    0.000151444    0.000021858
     46        6          -0.000297280   -0.000052680    0.000097735
     47        1          -0.000016909   -0.000057867   -0.000030409
     48        1           0.000046063   -0.000058606   -0.000123213
     49        1          -0.000056329   -0.000029508   -0.000021013
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000746656 RMS     0.000164573
 Leave Link  716 at Mon Nov 14 03:42:42 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000624685 RMS     0.000038294
 Search for a local minimum.
 Step number  78 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .38294D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   46   49   51   56   57
                                                     59   60   61   62   63
                                                     64   65   66   67   68
                                                     69   70   71   72   73
                                                     74   75   76   77   78
 DE= -2.16D-06 DEPred=-9.89D-06 R= 2.18D-01
 Trust test= 2.18D-01 RLast= 1.14D-01 DXMaxT set to 1.51D-01
 ITU=  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0
 ITU=  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00008   0.00052   0.00077   0.00116   0.00149
     Eigenvalues ---    0.00180   0.00194   0.00268   0.00323   0.00382
     Eigenvalues ---    0.00415   0.00429   0.00575   0.00663   0.00684
     Eigenvalues ---    0.00717   0.00824   0.00839   0.00945   0.01014
     Eigenvalues ---    0.01082   0.01104   0.01165   0.01234   0.01281
     Eigenvalues ---    0.01306   0.01442   0.01512   0.01577   0.01637
     Eigenvalues ---    0.01668   0.01709   0.01773   0.01827   0.01876
     Eigenvalues ---    0.01905   0.01967   0.02069   0.02114   0.02195
     Eigenvalues ---    0.02304   0.02406   0.02577   0.02666   0.02933
     Eigenvalues ---    0.03087   0.03362   0.03847   0.04290   0.04329
     Eigenvalues ---    0.04491   0.05172   0.05487   0.05792   0.06058
     Eigenvalues ---    0.06155   0.06290   0.06353   0.06524   0.06682
     Eigenvalues ---    0.07040   0.07293   0.07495   0.07727   0.07990
     Eigenvalues ---    0.08055   0.08137   0.08176   0.08380   0.08519
     Eigenvalues ---    0.08650   0.08742   0.08935   0.09036   0.09317
     Eigenvalues ---    0.09649   0.09705   0.09864   0.09961   0.10047
     Eigenvalues ---    0.10256   0.10445   0.10463   0.10812   0.10866
     Eigenvalues ---    0.11193   0.11281   0.11379   0.11733   0.13241
     Eigenvalues ---    0.13417   0.14263   0.14579   0.15111   0.15278
     Eigenvalues ---    0.15575   0.16099   0.21401   0.22159   0.23011
     Eigenvalues ---    0.23639   0.24264   0.24750   0.25555   0.26186
     Eigenvalues ---    0.26888   0.27426   0.28169   0.29210   0.29584
     Eigenvalues ---    0.29831   0.30970   0.32763   0.32813   0.32823
     Eigenvalues ---    0.32891   0.33299   0.33340   0.33362   0.33374
     Eigenvalues ---    0.33394   0.33422   0.33466   0.33527   0.33688
     Eigenvalues ---    0.33794   0.33817   0.33831   0.33924   0.33948
     Eigenvalues ---    0.34035   0.34168   0.34195   0.37241   0.38797
     Eigenvalues ---    0.40041   0.40582   0.85906   0.86107   0.86314
     Eigenvalues ---    0.90223
 Eigenvalue     1 is   8.29D-05 Eigenvector:
                         D381      D383      D399      D397      D373
   1                   -0.20833  -0.20675  -0.20327  -0.20251  -0.20242
                         D389      D375      D369      D395      D371
   1                   -0.20228  -0.19988  -0.19725  -0.19690  -0.19688
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    78   77   76   75   74
 RFO step:  Lambda=-3.05832240D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC= -6.20D-06 SmlDif=  1.00D-05
 RMS Error=  0.1252853634D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.56900    0.33854    0.03967    0.03515    0.01765
 Iteration  1 RMS(Cart)=  0.00240485 RMS(Int)=  0.00005043
 Iteration  2 RMS(Cart)=  0.00003546 RMS(Int)=  0.00000373
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000373
 ITry= 1 IFail=0 DXMaxC= 2.26D-02 DCOld= 1.00D+10 DXMaxT= 1.51D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.60192  -0.00002  -0.00117  -0.00096  -0.00212   6.59980
    R2        6.27113   0.00000  -0.00103  -0.00463  -0.00566   6.26546
    R3        7.26824   0.00012  -0.00362  -0.00125  -0.00488   7.26336
    R4        6.37093  -0.00025  -0.00824  -0.00097  -0.00921   6.36172
    R5        6.53564  -0.00005   0.00049  -0.00488  -0.00440   6.53124
    R6        5.98867   0.00001  -0.00057  -0.00414  -0.00471   5.98396
    R7        6.69438  -0.00002   0.00065  -0.00160  -0.00094   6.69343
    R8        6.22722   0.00001   0.00111  -0.00110   0.00001   6.22723
    R9        6.66164   0.00003   0.00017  -0.00100  -0.00083   6.66081
   R10        6.07355  -0.00002   0.00187  -0.00367  -0.00179   6.07176
   R11        6.95464   0.00003   0.00151  -0.00111   0.00040   6.95504
   R12        6.02491   0.00005   0.00056   0.00060   0.00116   6.02607
   R13        6.88067  -0.00002   0.00104  -0.00074   0.00029   6.88096
   R14        6.20009  -0.00005  -0.00021   0.00140   0.00118   6.20127
   R15        6.88029  -0.00005  -0.00031   0.00114   0.00083   6.88112
   R16        5.96759  -0.00001  -0.00187  -0.00002  -0.00189   5.96571
   R17        6.68875  -0.00001   0.00106  -0.00038   0.00067   6.68942
   R18        6.58534  -0.00006  -0.00003  -0.00305  -0.00308   6.58226
   R19        6.21893  -0.00004  -0.00190   0.00077  -0.00113   6.21780
   R20        6.59325  -0.00002   0.00074  -0.00462  -0.00387   6.58938
   R21        6.07154   0.00008   0.01187  -0.01081   0.00106   6.07260
   R22        6.99744   0.00003   0.00165   0.00199   0.00363   7.00107
   R23        6.00510  -0.00008   0.00438   0.00259   0.00696   6.01206
   R24        2.34984   0.00002   0.00004  -0.00012  -0.00008   2.34977
   R25        2.57124  -0.00002   0.00011   0.00009   0.00020   2.57143
   R26        2.09486  -0.00005  -0.00007   0.00001  -0.00006   2.09480
   R27        2.76424   0.00005   0.00054  -0.00005   0.00049   2.76473
   R28        2.76782   0.00008   0.00016  -0.00002   0.00014   2.76797
   R29        2.07659   0.00000  -0.00006  -0.00001  -0.00006   2.07652
   R30        2.08019   0.00053   0.00139   0.00023   0.00162   2.08181
   R31        2.08296   0.00006   0.00004   0.00005   0.00009   2.08305
   R32        2.08097  -0.00008  -0.00019   0.00006  -0.00012   2.08085
   R33        2.07462   0.00002   0.00002   0.00001   0.00003   2.07465
   R34        2.08360  -0.00002  -0.00002   0.00002   0.00000   2.08360
   R35        2.34882  -0.00005   0.00001  -0.00003  -0.00002   2.34879
   R36        2.57164   0.00002   0.00007   0.00000   0.00007   2.57171
   R37        2.09423   0.00001   0.00000  -0.00002  -0.00002   2.09421
   R38        2.76846   0.00001   0.00010   0.00005   0.00016   2.76862
   R39        2.76481   0.00007   0.00012   0.00001   0.00013   2.76494
   R40        2.08141   0.00011   0.00027   0.00009   0.00036   2.08178
   R41        2.08404   0.00001  -0.00001  -0.00003  -0.00003   2.08401
   R42        2.07417   0.00002   0.00001   0.00002   0.00004   2.07421
   R43        2.08318   0.00001   0.00002   0.00000   0.00002   2.08319
   R44        2.08338  -0.00001  -0.00001   0.00021   0.00021   2.08359
   R45        2.07660  -0.00001  -0.00003   0.00002  -0.00001   2.07659
   R46        2.34850  -0.00010  -0.00011   0.00002  -0.00008   2.34841
   R47        2.57170   0.00006   0.00006   0.00004   0.00010   2.57180
   R48        2.09351   0.00001   0.00001  -0.00004  -0.00003   2.09348
   R49        2.76484   0.00001   0.00001  -0.00024  -0.00022   2.76463
   R50        2.76847   0.00004  -0.00002  -0.00010  -0.00012   2.76836
   R51        2.08445  -0.00002  -0.00002   0.00000  -0.00003   2.08442
   R52        2.08283  -0.00007  -0.00030  -0.00013  -0.00043   2.08241
   R53        2.07583   0.00002   0.00000   0.00007   0.00007   2.07590
   R54        2.08518   0.00001   0.00003   0.00004   0.00007   2.08525
   R55        2.07398  -0.00003  -0.00007   0.00000  -0.00008   2.07390
   R56        2.07804   0.00000   0.00001   0.00000   0.00001   2.07804
   R57        2.34961  -0.00062  -0.00036   0.00031  -0.00005   2.34957
   R58        2.57159   0.00005  -0.00029   0.00012  -0.00017   2.57142
   R59        2.09528  -0.00004  -0.00007  -0.00008  -0.00015   2.09513
   R60        2.77002   0.00010   0.00063   0.00022   0.00085   2.77087
   R61        2.76511  -0.00004  -0.00029  -0.00021  -0.00051   2.76461
   R62        2.07442   0.00006   0.00003   0.00002   0.00004   2.07446
   R63        2.08348   0.00001  -0.00002  -0.00013  -0.00016   2.08332
   R64        2.08030  -0.00014  -0.00057  -0.00017  -0.00077   2.07953
   R65        2.07613   0.00001   0.00000   0.00001   0.00001   2.07614
   R66        2.08475   0.00007   0.00005   0.00042   0.00047   2.08522
   R67        2.08232  -0.00002   0.00002   0.00015   0.00017   2.08249
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    A2        0.95504   0.00006   0.00053   0.00018   0.00071   0.95575
    A3        0.72599   0.00002   0.00012   0.00028   0.00040   0.72639
    A4        1.01741   0.00001   0.00012   0.00067   0.00078   1.01819
    A5        2.34548   0.00000  -0.00057   0.00040  -0.00016   2.34532
    A6        2.02828  -0.00001  -0.00025   0.00020  -0.00005   2.02823
    A7        1.98606   0.00000   0.00032  -0.00014   0.00018   1.98624
    A8        1.69388  -0.00002   0.00021  -0.00009   0.00013   1.69401
    A9        1.65689  -0.00001  -0.00038   0.00024  -0.00014   1.65675
   A10        1.37573  -0.00001  -0.00026   0.00012  -0.00014   1.37559
   A11        1.72850   0.00001  -0.00015  -0.00011  -0.00026   1.72824
   A12        2.03200   0.00002  -0.00043   0.00037  -0.00006   2.03194
   A13        1.93631   0.00002  -0.00081   0.00102   0.00021   1.93652
   A14        2.02270   0.00001  -0.00160   0.00130  -0.00030   2.02240
   A15        2.42730   0.00003  -0.00029  -0.00002  -0.00031   2.42699
   A16        1.58325   0.00002   0.00258   0.00192   0.00450   1.58776
   A17        1.78081   0.00001   0.00215   0.00169   0.00384   1.78465
   A18        1.55777   0.00001   0.00139   0.00113   0.00252   1.56029
   A19        1.69581   0.00000   0.00168   0.00035   0.00203   1.69785
   A20        2.18491   0.00000   0.00192   0.00148   0.00340   2.18831
   A21        2.40426   0.00001   0.00138   0.00096   0.00234   2.40660
   A22        0.64124   0.00006   0.00071   0.00042   0.00113   0.64238
   A23        0.65793   0.00001   0.00006   0.00070   0.00077   0.65870
   A24        2.39535   0.00000  -0.00064   0.00023  -0.00041   2.39494
   A25        2.22593  -0.00001  -0.00020   0.00012  -0.00008   2.22585
   A26        2.32792  -0.00001   0.00039  -0.00010   0.00029   2.32821
   A27        2.06485  -0.00003   0.00029   0.00001   0.00030   2.06515
   A28        1.81814  -0.00001  -0.00014   0.00005  -0.00009   1.81805
   A29        1.57802  -0.00001  -0.00004   0.00008   0.00004   1.57806
   A30        1.33610   0.00001  -0.00031  -0.00023  -0.00054   1.33557
   A31        1.63376   0.00003  -0.00049   0.00024  -0.00025   1.63351
   A32        1.58224   0.00002  -0.00068   0.00084   0.00016   1.58240
   A33        1.73251   0.00001  -0.00133   0.00106  -0.00028   1.73223
   A34        2.03128   0.00003  -0.00046  -0.00006  -0.00052   2.03076
   A35        1.84533   0.00002   0.00237   0.00261   0.00498   1.85031
   A36        1.91067   0.00001   0.00171   0.00232   0.00403   1.91470
   A37        1.56208   0.00000   0.00108   0.00178   0.00286   1.56494
   A38        1.57899   0.00000   0.00138   0.00080   0.00218   1.58117
   A39        2.26580   0.00002   0.00113   0.00179   0.00292   2.26872
   A40        2.36131   0.00002   0.00006   0.00079   0.00086   2.36216
   A41        0.68772   0.00000   0.00025   0.00030   0.00055   0.68827
   A42        0.74460   0.00000   0.00022   0.00076   0.00097   0.74558
   A43        2.65817   0.00000  -0.00043  -0.00014  -0.00056   2.65761
   A44        2.60362  -0.00001   0.00015   0.00002   0.00016   2.60378
   A45        2.66315  -0.00001   0.00072   0.00004   0.00076   2.66391
   A46        2.35894  -0.00002   0.00059   0.00011   0.00070   2.35964
   A47        2.19595  -0.00002   0.00025  -0.00005   0.00020   2.19615
   A48        1.96225  -0.00001   0.00033   0.00005   0.00038   1.96262
   A49        1.09298   0.00001  -0.00024  -0.00030  -0.00054   1.09244
   A50        1.45182   0.00002  -0.00030  -0.00002  -0.00032   1.45150
   A51        1.55049   0.00002  -0.00029   0.00047   0.00018   1.55068
   A52        1.78443   0.00001  -0.00074   0.00057  -0.00017   1.78426
   A53        1.78005   0.00002  -0.00034  -0.00048  -0.00081   1.77924
   A54        1.70429   0.00003   0.00167   0.00315   0.00482   1.70911
   A55        1.63936   0.00002   0.00098   0.00263   0.00362   1.64298
   A56        1.23951   0.00000   0.00057   0.00211   0.00268   1.24219
   A57        1.20655   0.00000   0.00093   0.00096   0.00190   1.20845
   A58        1.93412   0.00003   0.00035   0.00185   0.00221   1.93632
   A59        1.98474   0.00002  -0.00051   0.00078   0.00027   1.98501
   A60        0.83835   0.00002   0.00090   0.00124   0.00213   0.84048
   A61        0.77408   0.00000   0.00102   0.00183   0.00285   0.77692
   A62        2.59813  -0.00004   0.00018   0.00055   0.00073   2.59887
   A63        2.76868   0.00001   0.00077   0.00083   0.00161   2.77029
   A64        2.61601   0.00004   0.00039  -0.00026   0.00012   2.61613
   A65        2.39464   0.00002   0.00098   0.00068   0.00166   2.39630
   A66        2.20094   0.00003   0.00090   0.00068   0.00158   2.20251
   A67        0.85069  -0.00005   0.00019   0.00021   0.00040   0.85109
   A68        1.22602  -0.00004   0.00021   0.00047   0.00068   1.22670
   A69        1.40356  -0.00003   0.00053   0.00118   0.00171   1.40527
   A70        1.67343  -0.00003   0.00026   0.00125   0.00151   1.67494
   A71        1.51753  -0.00004  -0.00014  -0.00031  -0.00046   1.51708
   A72        1.72059   0.00004   0.00036   0.00208   0.00244   1.72303
   A73        1.55127   0.00001  -0.00026   0.00155   0.00129   1.55256
   A74        1.12265  -0.00001  -0.00043   0.00121   0.00077   1.12342
   A75        1.01233  -0.00003   0.00007   0.00028   0.00035   1.01267
   A76        1.76886   0.00000  -0.00080   0.00079  -0.00001   1.76885
   A77        1.76201  -0.00002  -0.00143  -0.00007  -0.00150   1.76050
   A78        1.99739  -0.00001  -0.00063  -0.00026  -0.00088   1.99651
   A79        1.94407   0.00000  -0.00015  -0.00043  -0.00058   1.94348
   A80        2.22416   0.00000   0.00033  -0.00055  -0.00021   2.22395
   A81        2.08437  -0.00001   0.00027  -0.00029  -0.00002   2.08435
   A82        1.55636  -0.00001   0.00010  -0.00055  -0.00046   1.55591
   A83        1.39099   0.00000   0.00021  -0.00039  -0.00017   1.39081
   A84        1.19706  -0.00001  -0.00076  -0.00007  -0.00083   1.19622
   A85        1.38038   0.00000  -0.00092   0.00038  -0.00054   1.37984
   A86        1.21147  -0.00001  -0.00097   0.00077  -0.00020   1.21127
   A87        1.31545  -0.00001  -0.00152   0.00088  -0.00064   1.31481
   A88        1.80675   0.00001  -0.00098   0.00038  -0.00061   1.80615
   A89        2.27549   0.00004   0.00248   0.00279   0.00527   2.28076
   A90        2.32020   0.00002   0.00142   0.00286   0.00427   2.32447
   A91        1.92672   0.00000   0.00080   0.00244   0.00323   1.92995
   A92        1.85031   0.00000   0.00092   0.00151   0.00244   1.85274
   A93        2.60686   0.00003   0.00017   0.00206   0.00223   2.60909
   A94        2.55200   0.00001  -0.00143   0.00059  -0.00084   2.55116
   A95        1.91449   0.00000  -0.00066  -0.00092  -0.00158   1.91291
   A96        1.99699   0.00000  -0.00026  -0.00100  -0.00125   1.99574
   A97        2.37407   0.00001   0.00004  -0.00096  -0.00091   2.37316
   A98        2.33168  -0.00001   0.00005  -0.00047  -0.00042   2.33127
   A99        1.66930   0.00000   0.00012  -0.00106  -0.00094   1.66836
   A100       1.57714   0.00000   0.00019  -0.00066  -0.00048   1.57666
   A101       0.89103  -0.00001  -0.00073  -0.00014  -0.00088   0.89016
   A102       1.05862   0.00001  -0.00083   0.00006  -0.00077   1.05786
   A103       0.92645   0.00001  -0.00080   0.00021  -0.00058   0.92587
   A104       1.08542   0.00000  -0.00124   0.00016  -0.00108   1.08434
   A105       1.48492   0.00002  -0.00090   0.00006  -0.00084   1.48408
   A106       2.44818   0.00003   0.00195   0.00387   0.00582   2.45400
   A107       2.32272   0.00001   0.00061   0.00331   0.00392   2.32665
   A108       1.89114  -0.00001   0.00048   0.00299   0.00347   1.89461
   A109       1.72021  -0.00001   0.00061   0.00197   0.00258   1.72279
   A110       2.44522   0.00002  -0.00080   0.00165   0.00085   2.44607
   A111       2.28865   0.00001  -0.00181   0.00023  -0.00158   2.28707
   A112       0.71389   0.00000  -0.00006   0.00020   0.00014   0.71402
   A113       1.00558   0.00001  -0.00016   0.00034   0.00018   1.00576
   A114       0.69573   0.00001  -0.00006   0.00012   0.00005   0.69578
   A115       0.98350   0.00001  -0.00016   0.00027   0.00011   0.98360
   A116       1.80840  -0.00001  -0.00053  -0.00027  -0.00080   1.80760
   A117       1.42740  -0.00001  -0.00046  -0.00030  -0.00077   1.42663
   A118       1.19685  -0.00001  -0.00043  -0.00068  -0.00111   1.19574
   A119       0.92489  -0.00001  -0.00005  -0.00068  -0.00073   0.92415
   A120       1.24979  -0.00001  -0.00039   0.00035  -0.00004   1.24975
   A121       1.91769  -0.00003  -0.00113  -0.00297  -0.00411   1.91358
   A122       1.96518  -0.00001  -0.00085  -0.00258  -0.00344   1.96174
   A123       2.32320   0.00000  -0.00051  -0.00196  -0.00247   2.32073
   A124       2.24083   0.00000  -0.00108  -0.00080  -0.00188   2.23895
   A125       1.62161  -0.00002  -0.00055  -0.00203  -0.00258   1.61903
   A126       1.48788  -0.00001  -0.00011  -0.00126  -0.00137   1.48651
   A127       0.65635   0.00000  -0.00023   0.00031   0.00008   0.65643
   A128       0.66123   0.00001  -0.00007   0.00008   0.00001   0.66124
   A129       2.17374   0.00000  -0.00056  -0.00028  -0.00084   2.17290
   A130       1.80063  -0.00001  -0.00049  -0.00022  -0.00071   1.79991
   A131       1.51041  -0.00001  -0.00047  -0.00053  -0.00100   1.50941
   A132       1.21903   0.00000  -0.00027  -0.00043  -0.00070   1.21833
   A133       1.64312   0.00000  -0.00042   0.00044   0.00002   1.64313
   A134       1.76180  -0.00003  -0.00068  -0.00270  -0.00339   1.75842
   A135       1.96260  -0.00001  -0.00047  -0.00236  -0.00284   1.95977
   A136       2.39185   0.00001  -0.00034  -0.00204  -0.00238   2.38947
   A137       2.47274   0.00000  -0.00105  -0.00098  -0.00204   2.47070
   A138       1.73084  -0.00002  -0.00019  -0.00169  -0.00189   1.72895
   A139       1.69408  -0.00001   0.00029  -0.00085  -0.00056   1.69352
   A140       0.70477   0.00001  -0.00007   0.00010   0.00003   0.70480
   A141       0.83319   0.00001   0.00012  -0.00016  -0.00004   0.83315
   A142       2.49847   0.00000  -0.00059   0.00010  -0.00049   2.49798
   A143       2.11962  -0.00002  -0.00053  -0.00007  -0.00060   2.11902
   A144       1.90631  -0.00001  -0.00049  -0.00047  -0.00097   1.90534
   A145       1.62331   0.00000  -0.00020  -0.00042  -0.00062   1.62269
   A146       1.83458  -0.00002  -0.00044   0.00046   0.00002   1.83460
   A147       1.33637  -0.00003  -0.00062  -0.00270  -0.00333   1.33304
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   A149       2.00617   0.00001  -0.00025  -0.00194  -0.00219   2.00398
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   A157       2.16586   0.00000  -0.00072  -0.00018  -0.00091   2.16495
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   A159       2.14417   0.00000  -0.00026   0.00037   0.00011   2.14428
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   A161       1.52272   0.00000   0.00052  -0.00197  -0.00145   1.52127
   A162       1.91913   0.00002   0.00035  -0.00192  -0.00157   1.91756
   A163       2.17912   0.00001  -0.00002  -0.00130  -0.00132   2.17780
   A164       1.50490  -0.00002   0.00087  -0.00104  -0.00017   1.50474
   A165       1.64391   0.00000   0.00135  -0.00017   0.00118   1.64509
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   A169       1.20426   0.00000  -0.00046  -0.00014  -0.00061   1.20365
   A170       1.87100   0.00001  -0.00040   0.00047   0.00007   1.87107
   A171       1.96460  -0.00002  -0.00025  -0.00195  -0.00220   1.96240
   A172       2.27125   0.00000  -0.00022  -0.00184  -0.00207   2.26918
   A173       2.68574   0.00002  -0.00017  -0.00151  -0.00169   2.68406
   A174       2.11911  -0.00002  -0.00015  -0.00144  -0.00159   2.11752
   A175       2.10221  -0.00001   0.00021  -0.00077  -0.00056   2.10165
   A176       2.27622   0.00000  -0.00055  -0.00032  -0.00086   2.27536
   A177       2.05535   0.00000  -0.00059   0.00013  -0.00047   2.05488
   A178       1.64648   0.00000  -0.00060   0.00017  -0.00044   1.64604
   A179       1.39473   0.00000  -0.00084   0.00045  -0.00040   1.39433
   A180       2.13746   0.00001  -0.00060   0.00079   0.00019   2.13764
   A181       1.89611  -0.00001   0.00051  -0.00162  -0.00111   1.89500
   A182       2.27048   0.00000   0.00050  -0.00148  -0.00098   2.26950
   A183       2.58638   0.00002   0.00046  -0.00099  -0.00053   2.58585
   A184       2.25755  -0.00002   0.00038  -0.00122  -0.00084   2.25671
   A185       2.31944  -0.00001   0.00059  -0.00059   0.00000   2.31944
   A186       0.69102   0.00000  -0.00006  -0.00006  -0.00012   0.69090
   A187       0.98151   0.00000  -0.00011  -0.00019  -0.00029   0.98122
   A188       0.69955   0.00002  -0.00010   0.00003  -0.00008   0.69948
   A189       2.11080   0.00002   0.00005   0.00196   0.00201   2.11281
   A190       1.72953   0.00000  -0.00016   0.00156   0.00140   1.73093
   A191       1.40135  -0.00001   0.00029   0.00169   0.00198   1.40334
   A192       1.09621   0.00000   0.00043   0.00134   0.00176   1.09797
   A193       1.61660   0.00003  -0.00066   0.00073   0.00007   1.61667
   A194       1.40567   0.00001  -0.00119   0.00009  -0.00111   1.40457
   A195       0.66609   0.00000   0.00016  -0.00022  -0.00006   0.66603
   A196       2.25693   0.00000  -0.00070   0.00021  -0.00049   2.25644
   A197       1.85795  -0.00001  -0.00060   0.00013  -0.00047   1.85749
   A198       1.64031  -0.00002   0.00008   0.00073   0.00082   1.64113
   A199       1.32068   0.00000   0.00006   0.00063   0.00068   1.32136
   A200       1.60914   0.00001  -0.00092  -0.00060  -0.00151   1.60763
   A201       1.34263   0.00000  -0.00124  -0.00094  -0.00218   1.34045
   A202       0.70960   0.00002  -0.00002  -0.00002  -0.00004   0.70956
   A203       2.64067  -0.00001  -0.00103  -0.00092  -0.00195   2.63872
   A204       2.25436  -0.00001  -0.00069  -0.00050  -0.00119   2.25317
   A205       2.05031  -0.00001   0.00013   0.00080   0.00093   2.05125
   A206       1.73094   0.00001   0.00013   0.00063   0.00075   1.73169
   A207       1.94946   0.00001  -0.00097  -0.00145  -0.00242   1.94704
   A208       1.66717   0.00000  -0.00114  -0.00159  -0.00272   1.66445
   A209       0.83393   0.00001   0.00045  -0.00005   0.00041   0.83434
   A210       2.67630  -0.00002  -0.00095  -0.00310  -0.00405   2.67224
   A211       2.38263  -0.00001  -0.00040  -0.00186  -0.00227   2.38036
   A212       2.29341  -0.00002   0.00031   0.00003   0.00034   2.29375
   A213       1.97688   0.00000   0.00022   0.00015   0.00036   1.97724
   A214       2.00696   0.00000  -0.00039  -0.00231  -0.00270   2.00426
   A215       1.72861   0.00000  -0.00037  -0.00212  -0.00248   1.72613
   A216       1.93299  -0.00003  -0.00109  -0.00120  -0.00229   1.93070
   A217       1.56412  -0.00003  -0.00082  -0.00118  -0.00200   1.56212
   A218       1.49245  -0.00003  -0.00011  -0.00076  -0.00087   1.49158
   A219       1.20086  -0.00001  -0.00035  -0.00050  -0.00086   1.20000
   A220       1.24024  -0.00001  -0.00094  -0.00136  -0.00230   1.23794
   A221       0.95922  -0.00002  -0.00113  -0.00146  -0.00259   0.95662
   A222       0.72406   0.00004   0.00006   0.00048   0.00054   0.72460
   A223       1.01571   0.00002  -0.00033   0.00071   0.00039   1.01610
   A224       0.69816  -0.00002  -0.00027   0.00004  -0.00023   0.69793
   A225       0.98195  -0.00001  -0.00017   0.00006  -0.00011   0.98184
   A226       0.65726   0.00000  -0.00054   0.00060   0.00007   0.65732
   A227       0.66357  -0.00001  -0.00021  -0.00022  -0.00042   0.66314
   A228       0.70439   0.00002  -0.00001  -0.00004  -0.00004   0.70435
   A229       0.85107   0.00000  -0.00022  -0.00034  -0.00056   0.85051
   A230       0.75838   0.00003  -0.00090   0.00043  -0.00047   0.75791
   A231       0.78239   0.00002  -0.00127   0.00001  -0.00126   0.78112
   A232       1.58491   0.00000   0.00206  -0.00144   0.00062   1.58553
   A233       1.86899  -0.00006  -0.00255   0.00190  -0.00065   1.86834
   A234       2.19002  -0.00001  -0.00002  -0.00028  -0.00030   2.18972
   A235       2.12784   0.00003   0.00078  -0.00006   0.00071   2.12855
   A236       1.96498  -0.00002  -0.00076   0.00031  -0.00045   1.96454
   A237       2.12403   0.00000   0.00019   0.00010   0.00028   2.12431
   A238       2.12515   0.00004   0.00019  -0.00030  -0.00011   2.12504
   A239       2.03346  -0.00004  -0.00042   0.00030  -0.00012   2.03334
   A240       1.82939   0.00001   0.00254   0.00371   0.00625   1.83565
   A241       2.54563  -0.00004  -0.00283  -0.00374  -0.00657   2.53907
   A242       1.91450  -0.00001  -0.00049  -0.00010  -0.00059   1.91391
   A243       1.91815  -0.00015  -0.00026   0.00054   0.00027   1.91842
   A244       1.91788   0.00001  -0.00048  -0.00075  -0.00123   1.91665
   A245       1.90829   0.00007   0.00093   0.00020   0.00114   1.90942
   A246       1.90750   0.00003   0.00025   0.00009   0.00034   1.90785
   A247       1.89736   0.00004   0.00006   0.00003   0.00010   1.89745
   A248       1.27874  -0.00001   0.00123   0.00037   0.00160   1.28034
   A249       1.90396   0.00003  -0.00014   0.00086   0.00072   1.90468
   A250       1.90913  -0.00003   0.00024   0.00000   0.00024   1.90937
   A251       1.92864  -0.00004  -0.00011  -0.00037  -0.00048   1.92816
   A252       1.91074   0.00003   0.00007  -0.00034  -0.00027   1.91047
   A253       1.89841   0.00000  -0.00002  -0.00009  -0.00011   1.89830
   A254       1.91283   0.00001  -0.00005  -0.00006  -0.00010   1.91273
   A255       1.72401  -0.00003  -0.00037  -0.00010  -0.00048   1.72353
   A256       1.76286   0.00000   0.00022   0.00006   0.00028   1.76313
   A257       2.19169  -0.00003  -0.00031   0.00012  -0.00019   2.19150
   A258       2.12962   0.00001   0.00008   0.00007   0.00014   2.12977
   A259       1.96166   0.00001   0.00023  -0.00019   0.00005   1.96171
   A260       2.12570   0.00000  -0.00018   0.00020   0.00003   2.12572
   A261       2.12231   0.00000   0.00015  -0.00011   0.00004   2.12235
   A262       2.03489   0.00000   0.00002  -0.00010  -0.00008   2.03481
   A263       1.35687  -0.00002  -0.00195   0.00162  -0.00033   1.35654
   A264       1.90162  -0.00005  -0.00052   0.00019  -0.00032   1.90130
   A265       1.93072   0.00003   0.00027  -0.00008   0.00019   1.93092
   A266       1.91027  -0.00001  -0.00016  -0.00021  -0.00037   1.90990
   A267       1.89674   0.00001   0.00020  -0.00002   0.00018   1.89692
   A268       1.91312   0.00001   0.00007   0.00011   0.00018   1.91330
   A269       1.91124   0.00000   0.00014   0.00001   0.00015   1.91138
   A270       2.66649   0.00002  -0.00092   0.00141   0.00049   2.66698
   A271       1.69682  -0.00001   0.00097  -0.00134  -0.00037   1.69645
   A272       1.92429   0.00002   0.00002  -0.00008  -0.00006   1.92423
   A273       1.91348   0.00000   0.00006   0.00002   0.00009   1.91357
   A274       1.91352  -0.00001  -0.00003   0.00003   0.00000   1.91352
   A275       1.89433   0.00001  -0.00001   0.00009   0.00008   1.89441
   A276       1.91095  -0.00001  -0.00007   0.00001  -0.00006   1.91089
   A277       1.90708  -0.00001   0.00001  -0.00007  -0.00005   1.90703
   A278       1.80413   0.00001   0.00054  -0.00118  -0.00064   1.80349
   A279       1.75459   0.00002  -0.00009   0.00046   0.00037   1.75496
   A280       2.18971  -0.00002  -0.00010   0.00006  -0.00004   2.18968
   A281       2.13103  -0.00002   0.00001   0.00001   0.00003   2.13105
   A282       1.96237   0.00004   0.00008  -0.00007   0.00001   1.96238
   A283       2.12322  -0.00004  -0.00015  -0.00008  -0.00022   2.12300
   A284       2.11544   0.00001   0.00002  -0.00014  -0.00012   2.11531
   A285       2.04161   0.00003   0.00005   0.00035   0.00040   2.04201
   A286       2.69539  -0.00001  -0.00188   0.00006  -0.00182   2.69357
   A287       1.66466   0.00000   0.00188  -0.00029   0.00159   1.66625
   A288       1.92607   0.00000  -0.00016   0.00030   0.00014   1.92621
   A289       1.91526   0.00001   0.00040  -0.00033   0.00007   1.91532
   A290       1.91248   0.00001   0.00011  -0.00012  -0.00001   1.91247
   A291       1.89131  -0.00001  -0.00014   0.00028   0.00013   1.89144
   A292       1.91211   0.00001  -0.00007   0.00013   0.00006   1.91218
   A293       1.90638   0.00000  -0.00014  -0.00026  -0.00040   1.90598
   A294       1.35459   0.00001   0.00150  -0.00051   0.00099   1.35558
   A295       1.15010   0.00000  -0.00065  -0.00026  -0.00091   1.14919
   A296       1.93230   0.00001  -0.00011   0.00024   0.00013   1.93243
   A297       1.90658   0.00002   0.00018  -0.00017   0.00001   1.90659
   A298       1.90268  -0.00003  -0.00009   0.00009   0.00001   1.90268
   A299       1.90953   0.00000  -0.00005   0.00002  -0.00002   1.90951
   A300       1.89809  -0.00001  -0.00020  -0.00014  -0.00034   1.89775
   A301       1.91459   0.00001   0.00026  -0.00005   0.00021   1.91480
   A302       1.65672  -0.00012  -0.00055  -0.00405  -0.00460   1.65212
   A303       1.79939   0.00001   0.00058   0.00260   0.00318   1.80257
   A304       2.19017  -0.00008  -0.00030   0.00041   0.00011   2.19028
   A305       2.12988   0.00003  -0.00016   0.00001  -0.00015   2.12973
   A306       1.96281   0.00004   0.00044  -0.00044  -0.00001   1.96280
   A307       2.12517   0.00005   0.00023  -0.00006   0.00018   2.12535
   A308       2.12417  -0.00009  -0.00039   0.00026  -0.00013   2.12404
   A309       2.03108   0.00004   0.00039  -0.00045  -0.00006   2.03103
   A310       1.30511   0.00003  -0.00459   0.00090  -0.00368   1.30143
   A311       3.05085  -0.00004   0.00569  -0.00297   0.00271   3.05356
   A312       1.91041   0.00002   0.00069  -0.00056   0.00017   1.91058
   A313       1.92558   0.00002   0.00031  -0.00030  -0.00002   1.92556
   A314       1.90252   0.00003  -0.00032   0.00040   0.00009   1.90261
   A315       1.91240   0.00000  -0.00014   0.00094   0.00080   1.91319
   A316       1.91294   0.00000  -0.00031  -0.00039  -0.00072   1.91222
   A317       1.89990  -0.00008  -0.00024  -0.00009  -0.00033   1.89957
   A318       1.78589  -0.00001  -0.00095   0.00018  -0.00077   1.78512
   A319       1.91569   0.00004  -0.00008   0.00039   0.00030   1.91599
   A320       1.91616  -0.00009  -0.00034  -0.00029  -0.00063   1.91553
   A321       1.91999  -0.00002   0.00006  -0.00002   0.00004   1.92003
   A322       1.90679   0.00003   0.00019   0.00046   0.00066   1.90745
   A323       1.91024   0.00001  -0.00002  -0.00025  -0.00028   1.90996
   A324       1.89478   0.00003   0.00020  -0.00030  -0.00010   1.89469
   A325       2.94110   0.00006   0.00085   0.00004   0.00089   2.94199
   A326       3.35271  -0.00001   0.00130   0.00059   0.00189   3.35459
   A327       3.07154  -0.00001   0.00142   0.00047   0.00189   3.07343
   A328       3.19157   0.00000   0.00119   0.00031   0.00149   3.19307
   A329       3.26810  -0.00001  -0.00181   0.00163  -0.00018   3.26793
   A330       3.26412   0.00000   0.00146  -0.00048   0.00097   3.26509
   A331       3.69613   0.00000  -0.00097  -0.00007  -0.00104   3.69509
   A332       3.21771  -0.00001   0.00101   0.00093   0.00194   3.21965
   A333       2.97997   0.00000  -0.00008  -0.00079  -0.00087   2.97910
   A334       2.91269   0.00000  -0.00007  -0.00108  -0.00115   2.91154
   A335       3.22787  -0.00003  -0.00011  -0.00038  -0.00049   3.22738
   A336       3.07901  -0.00002   0.00022  -0.00062  -0.00040   3.07861
   A337       3.10150  -0.00001  -0.00017  -0.00074  -0.00090   3.10060
   A338       3.04323   0.00002   0.00161   0.00027   0.00189   3.04512
    D1        2.75852  -0.00001  -0.00070   0.00037  -0.00033   2.75819
    D2       -1.36253   0.00001   0.00034   0.00019   0.00053  -1.36200
    D3        2.78145  -0.00002   0.00009   0.00183   0.00192   2.78337
    D4       -1.33959   0.00000   0.00113   0.00164   0.00277  -1.33682
    D5        1.66277   0.00000  -0.00076   0.00018  -0.00059   1.66218
    D6       -2.45828   0.00002   0.00028  -0.00001   0.00026  -2.45801
    D7        1.84485   0.00000  -0.00100  -0.00013  -0.00113   1.84372
    D8       -2.27620   0.00002   0.00004  -0.00032  -0.00028  -2.27647
    D9        0.32451  -0.00001  -0.00048   0.00089   0.00042   0.32493
   D10        2.48665   0.00001   0.00056   0.00071   0.00127   2.48792
   D11        0.03427  -0.00001  -0.00085   0.00096   0.00010   0.03438
   D12        2.19641   0.00001   0.00019   0.00077   0.00096   2.19737
   D13       -0.43626  -0.00001  -0.00092   0.00090  -0.00002  -0.43628
   D14        1.72588   0.00001   0.00012   0.00071   0.00084   1.72671
   D15       -0.55946   0.00000  -0.00084   0.00073  -0.00011  -0.55957
   D16        1.60268   0.00002   0.00020   0.00055   0.00074   1.60343
   D17        0.21130  -0.00001  -0.00137   0.00123  -0.00015   0.21115
   D18        2.37344   0.00001  -0.00033   0.00104   0.00071   2.37415
   D19        0.14402   0.00000  -0.00136   0.00093  -0.00043   0.14360
   D20        2.30616   0.00002  -0.00032   0.00075   0.00043   2.30659
   D21        2.40643  -0.00001  -0.00191   0.00063  -0.00128   2.40514
   D22       -1.71462   0.00001  -0.00087   0.00044  -0.00043  -1.71505
   D23        2.16156  -0.00001  -0.00215   0.00114  -0.00101   2.16055
   D24       -1.95949   0.00001  -0.00111   0.00096  -0.00016  -1.95964
   D25        1.72173  -0.00001  -0.00196   0.00096  -0.00100   1.72073
   D26       -2.39932   0.00001  -0.00092   0.00078  -0.00014  -2.39946
   D27        1.41602  -0.00001  -0.00192   0.00106  -0.00087   1.41515
   D28       -2.70502   0.00001  -0.00088   0.00087  -0.00002  -2.70504
   D29        2.36762   0.00002  -0.00287   0.00238  -0.00049   2.36713
   D30       -1.75342   0.00004  -0.00183   0.00220   0.00036  -1.75306
   D31       -1.75604   0.00001  -0.00137   0.00298   0.00162  -1.75442
   D32        0.40610   0.00003  -0.00033   0.00280   0.00247   0.40857
   D33       -2.10711   0.00000  -0.00168   0.00258   0.00090  -2.10621
   D34        0.05503   0.00002  -0.00064   0.00239   0.00176   0.05679
   D35       -2.47967  -0.00002  -0.00138   0.00253   0.00115  -2.47852
   D36       -0.31753   0.00000  -0.00034   0.00235   0.00200  -0.31553
   D37       -2.76867   0.00000  -0.00129   0.00202   0.00072  -2.76794
   D38       -0.60653   0.00001  -0.00025   0.00183   0.00158  -0.60495
   D39       -2.13630   0.00003  -0.00231   0.00188  -0.00043  -2.13672
   D40        0.02584   0.00005  -0.00127   0.00169   0.00043   0.02627
   D41       -2.37849   0.00002  -0.00375   0.00071  -0.00304  -2.38152
   D42       -0.21635   0.00004  -0.00271   0.00053  -0.00218  -0.21853
   D43        1.26376  -0.00002  -0.00168  -0.00233  -0.00401   1.25975
   D44       -1.92567   0.00000  -0.00285   0.00017  -0.00268  -1.92835
   D45        2.45828   0.00002  -0.00201  -0.00221  -0.00422   2.45406
   D46       -0.73115   0.00004  -0.00319   0.00029  -0.00290  -0.73405
   D47        2.94463   0.00000  -0.00226  -0.00219  -0.00445   2.94018
   D48       -0.24480   0.00002  -0.00343   0.00031  -0.00312  -0.24793
   D49        2.87016  -0.00003  -0.00179  -0.00092  -0.00270   2.86745
   D50       -0.31928  -0.00001  -0.00296   0.00158  -0.00138  -0.32065
   D51        2.05286  -0.00003  -0.00165  -0.00108  -0.00273   2.05013
   D52       -1.13658  -0.00001  -0.00282   0.00142  -0.00141  -1.13798
   D53        1.15791  -0.00001  -0.00225  -0.00129  -0.00354   1.15437
   D54       -2.03152   0.00001  -0.00342   0.00120  -0.00221  -2.03374
   D55        1.01423  -0.00001  -0.00203  -0.00184  -0.00387   1.01036
   D56       -2.17520   0.00002  -0.00320   0.00065  -0.00255  -2.17775
   D57        2.02255  -0.00002  -0.00242  -0.00119  -0.00361   2.01895
   D58       -1.16688   0.00000  -0.00359   0.00131  -0.00228  -1.16916
   D59        1.82693  -0.00002  -0.00234  -0.00169  -0.00403   1.82290
   D60       -1.36250   0.00000  -0.00351   0.00080  -0.00271  -1.36521
   D61       -2.27146  -0.00002  -0.00311  -0.00211  -0.00522  -2.27668
   D62        0.82230   0.00001  -0.00428   0.00039  -0.00389   0.81840
   D63       -2.40951  -0.00001  -0.00308  -0.00156  -0.00464  -2.41415
   D64        0.68424   0.00001  -0.00425   0.00094  -0.00331   0.68093
   D65       -2.81195  -0.00001  -0.00311  -0.00132  -0.00443  -2.81638
   D66        0.28180   0.00001  -0.00428   0.00118  -0.00310   0.27869
   D67       -2.99000  -0.00001  -0.00350  -0.00097  -0.00448  -2.99448
   D68        0.10375   0.00001  -0.00468   0.00152  -0.00315   0.10060
   D69       -2.13585   0.00000  -0.00314  -0.00102  -0.00416  -2.14001
   D70        0.95790   0.00003  -0.00431   0.00148  -0.00284   0.95507
   D71       -0.16007  -0.00001  -0.00388  -0.00149  -0.00537  -0.16544
   D72        2.93368   0.00001  -0.00506   0.00101  -0.00404   2.92964
   D73       -0.55731  -0.00002  -0.00380  -0.00170  -0.00550  -0.56281
   D74        2.53644   0.00000  -0.00497   0.00079  -0.00417   2.53227
   D75       -0.72337  -0.00004  -0.00298  -0.00110  -0.00408  -0.72745
   D76        2.37039  -0.00001  -0.00415   0.00139  -0.00276   2.36763
   D77       -1.06177  -0.00001  -0.00295  -0.00091  -0.00387  -1.06563
   D78        2.03199   0.00001  -0.00412   0.00159  -0.00254   2.02944
   D79       -0.84285   0.00000  -0.00423  -0.00243  -0.00666  -0.84951
   D80        2.25090   0.00003  -0.00540   0.00006  -0.00533   2.24556
   D81       -1.14480  -0.00001  -0.00449  -0.00283  -0.00732  -1.15212
   D82        1.94895   0.00002  -0.00566  -0.00033  -0.00599   1.94296
   D83       -1.53473   0.00000   0.00008   0.00032   0.00040  -1.53433
   D84       -2.60986   0.00003  -0.00038   0.00048   0.00010  -2.60976
   D85       -2.94788  -0.00006   0.00018   0.00145   0.00162  -2.94625
   D86        0.73758   0.00001  -0.00016   0.00113   0.00097   0.73854
   D87        0.31295   0.00000  -0.00013   0.00111   0.00098   0.31393
   D88       -0.06113   0.00001   0.00034   0.00098   0.00132  -0.05981
   D89       -0.40078   0.00000   0.00022   0.00091   0.00113  -0.39965
   D90        0.18239  -0.00001  -0.00063   0.00126   0.00063   0.18302
   D91       -0.05606  -0.00001  -0.00056   0.00091   0.00035  -0.05571
   D92        2.40801   0.00000  -0.00087   0.00088   0.00000   2.40801
   D93        2.05831  -0.00001  -0.00097   0.00106   0.00009   2.05840
   D94        1.66568  -0.00001  -0.00108   0.00107  -0.00001   1.66567
   D95        1.37776   0.00000  -0.00127   0.00134   0.00007   1.37783
   D96        2.05861   0.00000  -0.00108   0.00163   0.00056   2.05917
   D97       -1.90217   0.00001  -0.00154   0.00321   0.00169  -1.90048
   D98       -2.43776  -0.00002  -0.00261   0.00160  -0.00101  -2.43877
   D99       -2.65027  -0.00003  -0.00137   0.00153   0.00015  -2.65012
   D100      -2.97725   0.00000  -0.00152   0.00142  -0.00011  -2.97736
   D101      -2.90554  -0.00001  -0.00462  -0.00080  -0.00543  -2.91097
   D102       2.85031  -0.00003  -0.00368  -0.00145  -0.00514   2.84518
   D103      -2.91179   0.00002  -0.00110   0.00033  -0.00077  -2.91255
   D104       1.18610   0.00002  -0.00112   0.00028  -0.00085   1.18525
   D105       2.79920   0.00002  -0.00088  -0.00006  -0.00094   2.79826
   D106       0.61390   0.00002  -0.00090  -0.00012  -0.00102   0.61288
   D107       2.29957   0.00003  -0.00104  -0.00062  -0.00166   2.29791
   D108       0.11427   0.00003  -0.00106  -0.00068  -0.00174   0.11253
   D109       1.74337  -0.00007  -0.00149  -0.00136  -0.00286   1.74052
   D110      -0.44193  -0.00007  -0.00152  -0.00141  -0.00294  -0.44486
   D111       2.58246   0.00000  -0.00088   0.00031  -0.00057   2.58189
   D112       0.39716  -0.00001  -0.00091   0.00025  -0.00065   0.39651
   D113       2.24599   0.00001  -0.00070   0.00027  -0.00043   2.24556
   D114       0.06069   0.00000  -0.00073   0.00021  -0.00051   0.06018
   D115      -1.61198   0.00002   0.00031  -0.00028   0.00002  -1.61196
   D116       2.48590   0.00001   0.00028  -0.00034  -0.00006   2.48584
   D117      -1.77152   0.00000  -0.00028   0.00017  -0.00011  -1.77163
   D118       2.32636   0.00000  -0.00031   0.00012  -0.00019   2.32617
   D119      -2.73528   0.00001   0.00033  -0.00022   0.00011  -2.73517
   D120       1.36261   0.00001   0.00031  -0.00028   0.00003   1.36264
   D121      -2.69863   0.00001  -0.00004   0.00025   0.00021  -2.69841
   D122       1.39926   0.00001  -0.00006   0.00019   0.00013   1.39939
   D123       1.31904   0.00001   0.00024   0.00052   0.00076   1.31980
   D124      -0.86626   0.00001   0.00021   0.00047   0.00068  -0.86558
   D125       1.29096   0.00000   0.00022  -0.00004   0.00018   1.29114
   D126      -0.89434   0.00000   0.00019  -0.00009   0.00010  -0.89423
   D127       1.64680   0.00001   0.00031  -0.00039  -0.00007   1.64673
   D128      -0.53850   0.00000   0.00029  -0.00044  -0.00015  -0.53865
   D129       1.77320   0.00001   0.00106  -0.00078   0.00029   1.77348
   D130      -0.41210   0.00000   0.00104  -0.00083   0.00021  -0.41190
   D131       0.89189  -0.00001   0.00022  -0.00034  -0.00012   0.89178
   D132      -1.29341  -0.00002   0.00020  -0.00039  -0.00020  -1.29360
   D133      -0.95942   0.00001   0.00124   0.00016   0.00139  -0.95802
   D134       3.13847   0.00001   0.00122   0.00010   0.00131   3.13978
   D135      -0.53238   0.00002   0.00101  -0.00017   0.00084  -0.53154
   D136      -2.71768   0.00001   0.00099  -0.00022   0.00076  -2.71692
   D137      -0.24079   0.00004   0.00045  -0.00112  -0.00067  -0.24146
   D138      -2.42609   0.00004   0.00043  -0.00118  -0.00075  -2.42684
   D139       0.16850   0.00001   0.00000  -0.00106  -0.00105   0.16745
   D140      -2.01680   0.00001  -0.00003  -0.00111  -0.00113  -2.01793
   D141      -0.31128  -0.00001   0.00109   0.00029   0.00138  -0.30991
   D142      -2.49658  -0.00001   0.00106   0.00023   0.00130  -2.49529
   D143      -0.06076   0.00000   0.00144   0.00073   0.00217  -0.05859
   D144      -2.24606   0.00000   0.00141   0.00068   0.00209  -2.24397
   D145      -2.47820   0.00000  -0.00057  -0.00030  -0.00087  -2.47907
   D146      -2.72808   0.00000  -0.00070  -0.00047  -0.00117  -2.72925
   D147      -2.40563  -0.00001  -0.00013  -0.00100  -0.00113  -2.40677
   D148       2.99813  -0.00002  -0.00089  -0.00063  -0.00152   2.99662
   D149       2.61350  -0.00001  -0.00104  -0.00107  -0.00211   2.61139
   D150       1.51527   0.00000   0.00067  -0.00102  -0.00035   1.51493
   D151       2.61682   0.00001   0.00065  -0.00103  -0.00038   2.61644
   D152       2.99139   0.00000   0.00031  -0.00054  -0.00023   2.99117
   D153       1.16970   0.00000   0.00080   0.00027   0.00106   1.17076
   D154       1.23748  -0.00002   0.00068  -0.00070  -0.00003   1.23745
   D155       1.63080  -0.00001   0.00064  -0.00117  -0.00053   1.63027
   D156       1.70935  -0.00001   0.00126  -0.00151  -0.00025   1.70910
   D157       0.89016  -0.00002   0.00077  -0.00124  -0.00048   0.88968
   D158      -0.99883   0.00000   0.00196   0.00065   0.00261  -0.99621
   D159      -0.67515   0.00001   0.00169   0.00056   0.00226  -0.67290
   D160      -0.71686   0.00001   0.00117  -0.00003   0.00114  -0.71573
   D161      -0.40951  -0.00001   0.00155  -0.00084   0.00073  -0.40878
   D162      -0.29467  -0.00001   0.00163   0.00076   0.00238  -0.29228
   D163      -0.01591  -0.00001   0.00159   0.00059   0.00218  -0.01373
   D164      -1.28967   0.00001  -0.00058  -0.00077  -0.00135  -1.29102
   D165       1.65932   0.00001  -0.00064  -0.00014  -0.00078   1.65854
   D166      -1.66018   0.00002  -0.00056  -0.00099  -0.00155  -1.66173
   D167       1.28881   0.00001  -0.00061  -0.00036  -0.00097   1.28783
   D168      -1.73819   0.00002  -0.00044  -0.00144  -0.00188  -1.74007
   D169       1.21079   0.00002  -0.00049  -0.00082  -0.00131   1.20949
   D170      -1.99706  -0.00006   0.00015  -0.00071  -0.00056  -1.99762
   D171       0.95193  -0.00007   0.00009  -0.00008   0.00001   0.95194
   D172      -2.00945  -0.00001  -0.00077  -0.00094  -0.00170  -2.01116
   D173       0.93953  -0.00001  -0.00082  -0.00031  -0.00113   0.93840
   D174      -2.31177   0.00000  -0.00068  -0.00141  -0.00209  -2.31387
   D175       0.63721   0.00000  -0.00073  -0.00079  -0.00152   0.63569
   D176       1.97822   0.00001   0.00050  -0.00121  -0.00071   1.97751
   D177      -1.35598   0.00001   0.00045  -0.00058  -0.00013  -1.35612
   D178       0.83213   0.00002   0.00050  -0.00138  -0.00088   0.83126
   D179      -2.50207   0.00002   0.00045  -0.00075  -0.00030  -2.50237
   D180       0.36927  -0.00001   0.00012  -0.00114  -0.00102   0.36825
   D181      -2.96493  -0.00001   0.00007  -0.00051  -0.00045  -2.96538
   D182      -3.11223   0.00001  -0.00002  -0.00064  -0.00066  -3.11289
   D183      -0.16325   0.00001  -0.00007  -0.00002  -0.00009  -0.16333
   D184       2.90668  -0.00001   0.00014  -0.00118  -0.00105   2.90563
   D185      -0.42752  -0.00001   0.00008  -0.00056  -0.00047  -0.42799
   D186       3.06238   0.00000   0.00023  -0.00176  -0.00153   3.06085
   D187      -0.27182   0.00000   0.00017  -0.00113  -0.00095  -0.27277
   D188       2.97118   0.00000   0.00095  -0.00210  -0.00114   2.97004
   D189      -0.36302   0.00000   0.00090  -0.00147  -0.00057  -0.36359
   D190       2.46029  -0.00002   0.00026  -0.00119  -0.00093   2.45936
   D191      -0.87391  -0.00002   0.00020  -0.00056  -0.00036  -0.87427
   D192       0.33055   0.00002   0.00204   0.00121   0.00325   0.33381
   D193      -3.00365   0.00002   0.00198   0.00184   0.00382  -2.99982
   D194       0.63491   0.00002   0.00191   0.00102   0.00293   0.63785
   D195      -2.69929   0.00001   0.00186   0.00165   0.00351  -2.69578
   D196       0.42801   0.00001   0.00175   0.00174   0.00348   0.43149
   D197      -2.90619   0.00001   0.00169   0.00237   0.00405  -2.90214
   D198       1.10010  -0.00001   0.00162   0.00043   0.00205   1.10215
   D199      -2.23410  -0.00001   0.00157   0.00105   0.00262  -2.23148
   D200       1.43076   0.00000   0.00177   0.00028   0.00205   1.43281
   D201      -1.90344   0.00000   0.00171   0.00091   0.00262  -1.90082
   D202       1.61299  -0.00001   0.00129  -0.00228  -0.00099   1.61200
   D203      -0.60095   0.00000   0.00109  -0.00200  -0.00092  -0.60187
   D204       1.68540  -0.00001   0.00090  -0.00226  -0.00136   1.68405
   D205      -0.52854   0.00000   0.00070  -0.00199  -0.00129  -0.52983
   D206       1.36666   0.00000   0.00030  -0.00219  -0.00189   1.36477
   D207      -0.84729   0.00001   0.00010  -0.00191  -0.00182  -0.84911
   D208       1.20390  -0.00003  -0.00101  -0.00357  -0.00458   1.19932
   D209      -1.01004  -0.00002  -0.00121  -0.00330  -0.00451  -1.01455
   D210       2.11679   0.00000   0.00084  -0.00182  -0.00098   2.11582
   D211      -0.09715   0.00001   0.00064  -0.00155  -0.00091  -0.09806
   D212       2.23482  -0.00001   0.00072  -0.00103  -0.00031   2.23452
   D213       0.02088   0.00000   0.00052  -0.00076  -0.00024   0.02064
   D214      -2.22483  -0.00001   0.00026  -0.00202  -0.00176  -2.22658
   D215       1.84441   0.00000   0.00006  -0.00175  -0.00168   1.84273
   D216      -2.38856  -0.00001   0.00032  -0.00233  -0.00200  -2.39056
   D217       1.68068   0.00000   0.00012  -0.00205  -0.00193   1.67875
   D218      -1.99459  -0.00001   0.00013  -0.00282  -0.00268  -1.99727
   D219       2.07465   0.00001  -0.00007  -0.00255  -0.00261   2.07204
   D220      -2.09187  -0.00004  -0.00135  -0.00286  -0.00421  -2.09608
   D221       1.97737  -0.00003  -0.00155  -0.00259  -0.00414   1.97323
   D222      -2.88456  -0.00002   0.00058  -0.00225  -0.00167  -2.88623
   D223       1.18468  -0.00001   0.00038  -0.00198  -0.00160   1.18308
   D224       3.06111  -0.00001   0.00079  -0.00223  -0.00144   3.05967
   D225       0.84716   0.00000   0.00059  -0.00196  -0.00137   0.84580
   D226      -2.71436   0.00001   0.00020  -0.00049  -0.00029  -2.71465
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   D228      -2.65982   0.00000  -0.00054  -0.00060  -0.00114  -2.66095
   D229       1.40942   0.00001  -0.00074  -0.00033  -0.00106   1.40836
   D230      -1.56808   0.00002   0.00029  -0.00049  -0.00020  -1.56828
   D231       2.50116   0.00003   0.00009  -0.00022  -0.00013   2.50103
   D232      -0.06806  -0.00003  -0.00170  -0.00494  -0.00664  -0.07470
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   D246      -3.12505   0.00002   0.00135  -0.00033   0.00102  -3.12402
   D247      -0.20352   0.00002   0.00111  -0.00129  -0.00018  -0.20369
   D248       2.77520   0.00002   0.00095  -0.00027   0.00068   2.77588
   D249      -0.58646   0.00002   0.00071  -0.00123  -0.00052  -0.58698
   D250       2.53951  -0.00003   0.00027  -0.00082  -0.00055   2.53896
   D251      -0.82214  -0.00003   0.00003  -0.00178  -0.00175  -0.82389
   D252      -2.89504   0.00001   0.00094   0.00017   0.00111  -2.89392
   D253       0.02649   0.00001   0.00070  -0.00079  -0.00009   0.02641
   D254      -3.06790   0.00000   0.00065   0.00075   0.00140  -3.06649
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   D258      -0.89854   0.00001   0.00121  -0.00025   0.00096  -0.89757
   D259       2.02299   0.00001   0.00097  -0.00121  -0.00024   2.02275
   D260      -0.73384   0.00001   0.00125  -0.00019   0.00106  -0.73278
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   D262      -0.93502   0.00000   0.00080   0.00029   0.00109  -0.93393
   D263       1.98651   0.00000   0.00056  -0.00067  -0.00011   1.98640
   D264      -1.30696   0.00000   0.00127  -0.00035   0.00093  -1.30603
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   D266      -1.54614   0.00000   0.00126  -0.00019   0.00107  -1.54507
   D267       1.37540   0.00000   0.00102  -0.00115  -0.00013   1.37526
   D268       1.97577   0.00002   0.00100   0.00117   0.00218   1.97795
   D269      -1.38588   0.00002   0.00076   0.00021   0.00097  -1.38491
   D270       0.85477   0.00001   0.00112   0.00107   0.00220   0.85697
   D271      -2.50688   0.00001   0.00088   0.00011   0.00099  -2.50589
   D272       0.96191  -0.00007  -0.00160  -0.00745  -0.00904   0.95287
   D273      -2.39974  -0.00007  -0.00184  -0.00842  -0.01025  -2.40999
   D274       1.13250  -0.00002  -0.00005  -0.00403  -0.00408   1.12842
   D275      -2.22916  -0.00002  -0.00029  -0.00499  -0.00528  -2.23444
   D276       1.59121   0.00000   0.00049  -0.00278  -0.00229   1.58892
   D277      -1.77044   0.00000   0.00025  -0.00374  -0.00349  -1.77393
   D278       1.57720   0.00001   0.00007  -0.00128  -0.00122   1.57598
   D279      -1.78446   0.00001  -0.00017  -0.00224  -0.00242  -1.78688
   D280       0.82057  -0.00002   0.00082  -0.00228  -0.00145   0.81912
   D281      -2.54108  -0.00002   0.00058  -0.00324  -0.00265  -2.54373
   D282       0.79046   0.00000   0.00152  -0.00107   0.00045   0.79091
   D283      -2.57120  -0.00001   0.00128  -0.00203  -0.00075  -2.57195
   D284       1.58265  -0.00001   0.00108  -0.00304  -0.00196   1.58069
   D285      -2.63325  -0.00001   0.00077  -0.00265  -0.00188  -2.63514
   D286       1.64464   0.00000   0.00022  -0.00228  -0.00206   1.64258
   D287      -2.57127   0.00000  -0.00009  -0.00189  -0.00198  -2.57325
   D288       1.33557   0.00000  -0.00036  -0.00184  -0.00220   1.33338
   D289      -2.88034   0.00000  -0.00067  -0.00144  -0.00212  -2.88246
   D290       1.24770   0.00000  -0.00140  -0.00266  -0.00406   1.24364
   D291      -2.96821   0.00000  -0.00172  -0.00226  -0.00398  -2.97219
   D292       2.04093   0.00001  -0.00019  -0.00157  -0.00176   2.03917
   D293      -2.17498   0.00001  -0.00050  -0.00118  -0.00168  -2.17666
   D294       2.02310   0.00000  -0.00038  -0.00080  -0.00118   2.02192
   D295      -2.19281   0.00000  -0.00070  -0.00040  -0.00110  -2.19391
   D296      -2.29403  -0.00001  -0.00064  -0.00190  -0.00254  -2.29657
   D297      -0.22676  -0.00001  -0.00096  -0.00151  -0.00246  -0.22922
   D298      -2.26707   0.00001  -0.00065  -0.00182  -0.00247  -2.26954
   D299      -0.19980   0.00001  -0.00096  -0.00143  -0.00239  -0.20219
   D300      -1.87837   0.00001  -0.00067  -0.00171  -0.00238  -1.88075
   D301       0.18891   0.00001  -0.00099  -0.00132  -0.00231   0.18660
   D302      -1.81315   0.00001  -0.00129  -0.00114  -0.00243  -1.81558
   D303       0.25413   0.00001  -0.00160  -0.00075  -0.00236   0.25178
   D304      -2.61254   0.00001  -0.00051  -0.00192  -0.00243  -2.61496
   D305      -0.54526   0.00000  -0.00082  -0.00153  -0.00235  -0.54761
   D306      -2.73654   0.00001  -0.00066  -0.00164  -0.00230  -2.73885
   D307      -0.66927   0.00001  -0.00098  -0.00125  -0.00223  -0.67149
   D308       1.52312   0.00003  -0.00041  -0.00035  -0.00076   1.52236
   D309      -2.69279   0.00003  -0.00072   0.00004  -0.00068  -2.69347
   D310       2.62348   0.00001  -0.00042  -0.00047  -0.00088   2.62260
   D311      -1.59243   0.00001  -0.00073  -0.00007  -0.00080  -1.59323
   D312       3.00651  -0.00001  -0.00101  -0.00065  -0.00166   3.00486
   D313      -1.20940  -0.00001  -0.00133  -0.00026  -0.00158  -1.21098
   D314      -0.46317  -0.00003  -0.00173  -0.00476  -0.00650  -0.46967
   D315       1.60411  -0.00003  -0.00205  -0.00437  -0.00642   1.59769
   D316      -0.30390  -0.00001  -0.00119  -0.00427  -0.00546  -0.30937
   D317       1.76337  -0.00001  -0.00150  -0.00388  -0.00538   1.75799
   D318       0.12257   0.00001  -0.00098  -0.00390  -0.00488   0.11769
   D319       2.18984   0.00001  -0.00129  -0.00351  -0.00480   2.18504
   D320       0.25743   0.00001  -0.00147  -0.00299  -0.00447   0.25296
   D321       2.32471   0.00001  -0.00179  -0.00260  -0.00439   2.32032
   D322      -0.55171  -0.00002  -0.00073  -0.00379  -0.00453  -0.55623
   D323       1.51557  -0.00002  -0.00105  -0.00340  -0.00445   1.51112
   D324      -0.59633  -0.00001  -0.00001  -0.00317  -0.00318  -0.59950
   D325       1.47095  -0.00001  -0.00032  -0.00278  -0.00310   1.46785
   D326       0.09825  -0.00001   0.00076   0.00231   0.00307   0.10133
   D327       2.27146  -0.00002   0.00056   0.00163   0.00218   2.27364
   D328       0.40310  -0.00002   0.00118   0.00197   0.00315   0.40625
   D329       2.57631  -0.00003   0.00097   0.00128   0.00226   2.57857
   D330       0.76851  -0.00002   0.00146   0.00237   0.00384   0.77235
   D331       2.94172  -0.00003   0.00126   0.00169   0.00295   2.94466
   D332       1.04752   0.00005   0.00172   0.00265   0.00437   1.05189
   D333      -3.06246   0.00004   0.00152   0.00196   0.00348  -3.05898
   D334       0.33907  -0.00001   0.00184   0.00055   0.00238   0.34145
   D335       2.51228  -0.00002   0.00163  -0.00014   0.00148   2.51376
   D336       0.72940  -0.00001   0.00309   0.00141   0.00450   0.73390
   D337       2.90260  -0.00001   0.00289   0.00073   0.00361   2.90621
   D338      -2.31813  -0.00001   0.00045   0.00205   0.00250  -2.31562
   D339      -0.14492  -0.00002   0.00025   0.00136   0.00161  -0.14331
   D340      -1.94191  -0.00001   0.00052   0.00198   0.00250  -1.93940
   D341       0.23130  -0.00002   0.00032   0.00129   0.00161   0.23291
   D342      -1.89701  -0.00001   0.00104   0.00270   0.00374  -1.89327
   D343       0.27620  -0.00002   0.00083   0.00201   0.00285   0.27905
   D344      -1.59985   0.00002   0.00156   0.00307   0.00463  -1.59522
   D345       0.57335   0.00001   0.00135   0.00238   0.00374   0.57709
   D346      -1.57101  -0.00001   0.00012   0.00136   0.00147  -1.56953
   D347       0.60220  -0.00001  -0.00009   0.00067   0.00058   0.60278
   D348      -1.27080  -0.00001   0.00019   0.00144   0.00163  -1.26917
   D349       0.90241  -0.00002  -0.00001   0.00075   0.00074   0.90315
   D350       1.86081   0.00001   0.00218   0.00361   0.00581   1.86662
   D351      -2.24917   0.00000   0.00198   0.00293   0.00491  -2.24425
   D352       2.29447   0.00003   0.00236   0.00492   0.00729   2.30176
   D353      -1.81550   0.00003   0.00216   0.00424   0.00640  -1.80911
   D354       2.54335   0.00007   0.00346   0.00887   0.01232   2.55567
   D355      -1.56663   0.00006   0.00326   0.00819   0.01143  -1.55520
   D356      -3.10446   0.00004   0.00193   0.00659   0.00851  -3.09595
   D357      -0.93125   0.00003   0.00173   0.00591   0.00762  -0.92363
   D358       2.61792   0.00001   0.00154   0.00291   0.00445   2.62237
   D359      -1.49205   0.00001   0.00133   0.00223   0.00356  -1.48849
   D360       1.63529  -0.00001  -0.00007   0.00187   0.00181   1.63710
   D361      -2.47468  -0.00002  -0.00027   0.00119   0.00091  -2.47377
   D362       1.80850  -0.00003   0.00115   0.00147   0.00263   1.81114
   D363      -2.30147  -0.00003   0.00094   0.00079   0.00174  -2.29973
   D364       2.74840   0.00000   0.00006   0.00142   0.00147   2.74988
   D365      -1.36157  -0.00001  -0.00015   0.00073   0.00058  -1.36099
   D366       2.74901  -0.00001  -0.00025   0.00121   0.00096   2.74997
   D367      -1.36097  -0.00002  -0.00046   0.00052   0.00007  -1.36090
   D368       0.06925  -0.00003  -0.00163   0.00343   0.00179   0.07105
   D369      -2.50010  -0.00001  -0.00151   0.01605   0.01454  -2.48556
   D370       0.46818  -0.00003  -0.00155   0.00353   0.00199   0.47017
   D371      -2.10117  -0.00001  -0.00142   0.01615   0.01473  -2.08644
   D372       0.68103  -0.00004  -0.00169   0.00392   0.00224   0.68327
   D373      -1.88832  -0.00002  -0.00156   0.01654   0.01498  -1.87334
   D374       0.95249   0.00003  -0.00203   0.00341   0.00138   0.95388
   D375      -1.61686   0.00005  -0.00191   0.01603   0.01413  -1.60273
   D376       0.70815   0.00000  -0.00102   0.00321   0.00219   0.71034
   D377      -1.86120   0.00002  -0.00089   0.01583   0.01494  -1.84626
   D378       1.04794  -0.00001  -0.00106   0.00390   0.00285   1.05079
   D379      -1.52141   0.00001  -0.00093   0.01652   0.01559  -1.50582
   D380      -2.74232  -0.00004  -0.00250   0.00427   0.00177  -2.74055
   D381       0.97151  -0.00002  -0.00237   0.01689   0.01452   0.98603
   D382      -2.18856  -0.00004  -0.00283   0.00329   0.00047  -2.18810
   D383       1.52527  -0.00002  -0.00270   0.01591   0.01321   1.53848
   D384      -1.95594  -0.00003  -0.00265   0.00342   0.00077  -1.95516
   D385       1.75790  -0.00001  -0.00253   0.01604   0.01352   1.77142
   D386      -1.62778  -0.00001  -0.00238   0.00317   0.00080  -1.62698
   D387       2.08606   0.00001  -0.00225   0.01579   0.01354   2.09960
   D388      -1.67115  -0.00003  -0.00356   0.00105  -0.00249  -1.67364
   D389       2.04269  -0.00001  -0.00344   0.01368   0.01025   2.05294
   D390      -1.10227  -0.00001  -0.00320   0.00051  -0.00270  -1.10497
   D391       2.61156   0.00001  -0.00308   0.01313   0.01005   2.62161
   D392       1.80234  -0.00002  -0.00204   0.00305   0.00101   1.80335
   D393      -0.76701   0.00000  -0.00192   0.01567   0.01376  -0.75325
   D394       2.10149  -0.00001  -0.00196   0.00389   0.00193   2.10342
   D395      -0.46786   0.00001  -0.00184   0.01651   0.01468  -0.45318
   D396       2.04735  -0.00001  -0.00175   0.00540   0.00365   2.05100
   D397      -0.52200   0.00001  -0.00163   0.01802   0.01639  -0.50561
   D398       2.24746  -0.00002  -0.00231   0.00656   0.00425   2.25171
   D399      -0.32189   0.00000  -0.00219   0.01918   0.01699  -0.30489
   D400       2.50177   0.00000  -0.00210   0.00334   0.00124   2.50302
   D401      -0.06757   0.00002  -0.00198   0.01597   0.01398  -0.05359
   D402      -1.53508  -0.00004  -0.00396   0.00183  -0.00213  -1.53722
   D403       2.17875  -0.00002  -0.00384   0.01446   0.01061   2.18936
   D404      -2.63349   0.00003  -0.00347   0.00210  -0.00137  -2.63486
   D405       1.08035   0.00005  -0.00335   0.01472   0.01137   1.09172
   D406      -2.98190   0.00001  -0.00386   0.00173  -0.00213  -2.98403
   D407       0.73193   0.00003  -0.00374   0.01436   0.01062   0.74255
   D408       1.92322  -0.00003   0.00185   0.00206   0.00390   1.92712
   D409       2.41791  -0.00004   0.00276   0.00277   0.00553   2.42343
   D410       2.64485  -0.00002   0.00216   0.00308   0.00524   2.65009
   D411       2.87616   0.00005   0.00144   0.00248   0.00392   2.88007
   D412       2.84405   0.00001   0.00506   0.00414   0.00921   2.85327
   D413      -2.94913   0.00000   0.00372   0.00564   0.00937  -2.93976
   D414      -0.75118  -0.00001   0.00097   0.00243   0.00339  -0.74779
   D415      -0.37006   0.00000   0.00082   0.00236   0.00317  -0.36689
   D416      -0.06063  -0.00001   0.00108   0.00289   0.00396  -0.05666
   D417       0.24821   0.00000   0.00096   0.00288   0.00384   0.25205
   D418      -0.23465   0.00001   0.00038   0.00168   0.00206  -0.23259
   D419       0.07759   0.00000  -0.00011   0.00149   0.00137   0.07896
   D420      -2.56255   0.00000   0.00157   0.00277   0.00435  -2.55820
   D421      -2.18026   0.00001   0.00149   0.00282   0.00431  -2.17595
   D422      -1.93929   0.00001   0.00156   0.00383   0.00539  -1.93390
   D423      -1.62585   0.00001   0.00121   0.00361   0.00482  -1.62103
   D424      -1.96285  -0.00001   0.00135   0.00152   0.00286  -1.95999
   D425       1.30774  -0.00002  -0.00002   0.00016   0.00013   1.30786
   D426       2.46990   0.00004   0.00029   0.00099   0.00127   2.47116
   D427       2.94436   0.00000   0.00078   0.00094   0.00174   2.94610
   D428      -3.07173  -0.00006  -0.00122   0.00059  -0.00064  -3.07237
   D429       0.03283  -0.00005  -0.00224   0.00357   0.00133   0.03416
   D430       0.04197  -0.00010  -0.00111  -0.00085  -0.00196   0.04001
   D431      -3.13666  -0.00010  -0.00212   0.00214   0.00001  -3.13664
   D432      -0.07923   0.00001  -0.00450  -0.00175  -0.00625  -0.08548
   D433       2.01933   0.00001  -0.00382  -0.00123  -0.00505   2.01428
   D434      -2.17665  -0.00002  -0.00420  -0.00133  -0.00553  -2.18219
   D435       3.09755   0.00001  -0.00355  -0.00458  -0.00812   3.08943
   D436      -1.08707   0.00001  -0.00287  -0.00406  -0.00693  -1.09400
   D437       1.00013  -0.00003  -0.00325  -0.00416  -0.00741   0.99272
   D438      -2.37380   0.00001   0.00072  -0.00123  -0.00051  -2.37431
   D439      -0.28424   0.00004   0.00087  -0.00113  -0.00026  -0.28450
   D440       1.82312   0.00001   0.00089  -0.00143  -0.00054   1.82258
   D441       0.73258   0.00001  -0.00024   0.00161   0.00137   0.73395
   D442       2.82214   0.00005  -0.00009   0.00171   0.00162   2.82376
   D443      -1.35368   0.00001  -0.00006   0.00141   0.00134  -1.35234
   D444       0.00086  -0.00003   0.00029   0.00009   0.00038   0.00124
   D445       3.11597  -0.00003  -0.00010  -0.00028  -0.00038   3.11559
   D446      -3.11909   0.00000   0.00025  -0.00002   0.00023  -3.11886
   D447      -0.00398  -0.00001  -0.00013  -0.00040  -0.00053  -0.00451
   D448       2.42024  -0.00001   0.00134  -0.00221  -0.00086   2.41937
   D449      -1.77893  -0.00001   0.00143  -0.00216  -0.00073  -1.77966
   D450       0.32851   0.00001   0.00167  -0.00234  -0.00066   0.32784
   D451      -0.69613   0.00000   0.00171  -0.00185  -0.00014  -0.69628
   D452       1.38789   0.00000   0.00179  -0.00180  -0.00001   1.38788
   D453      -2.78786   0.00002   0.00204  -0.00198   0.00006  -2.78781
   D454       2.06191   0.00000   0.00111  -0.00131  -0.00019   2.06171
   D455      -2.13675   0.00002   0.00116  -0.00123  -0.00008  -2.13683
   D456      -0.04318   0.00000   0.00120  -0.00128  -0.00009  -0.04327
   D457      -1.10486  -0.00001   0.00074  -0.00166  -0.00091  -1.10577
   D458       0.97967   0.00001   0.00079  -0.00158  -0.00080   0.97887
   D459       3.07324   0.00000   0.00083  -0.00164  -0.00081   3.07243
   D460      -3.08568   0.00000   0.00069  -0.00160  -0.00090  -3.08659
   D461      -0.02854   0.00000  -0.00045   0.00028  -0.00017  -0.02872
   D462       0.06893  -0.00001   0.00058  -0.00149  -0.00091   0.06802
   D463       3.12607  -0.00001  -0.00057   0.00039  -0.00018   3.12589
   D464       1.93861   0.00001   0.00147   0.00112   0.00259   1.94120
   D465      -2.26156  -0.00001   0.00145   0.00144   0.00289  -2.25867
   D466      -0.16839   0.00000   0.00159   0.00084   0.00243  -0.16596
   D467      -1.12194   0.00001   0.00257  -0.00066   0.00192  -1.12003
   D468       0.96108   0.00000   0.00255  -0.00033   0.00221   0.96329
   D469       3.05424   0.00000   0.00269  -0.00094   0.00175   3.05600
   D470      -1.64626   0.00000  -0.00056  -0.00132  -0.00189  -1.64815
   D471       0.45768   0.00002  -0.00057  -0.00126  -0.00183   0.45585
   D472       2.54962   0.00002  -0.00020  -0.00136  -0.00156   2.54807
   D473       1.41468  -0.00001  -0.00167   0.00045  -0.00122   1.41346
   D474      -2.76458   0.00001  -0.00167   0.00052  -0.00116  -2.76573
   D475      -0.67263   0.00001  -0.00130   0.00041  -0.00089  -0.67352
   D476       0.00503   0.00010   0.00261   0.00098   0.00360   0.00863
   D477      -3.05384   0.00009  -0.00102   0.00473   0.00371  -3.05013
   D478       3.11951  -0.00002   0.00171   0.00015   0.00186   3.12138
   D479       0.06065  -0.00004  -0.00192   0.00390   0.00198   0.06262
   D480      -0.31540   0.00005  -0.00787   0.00557  -0.00230  -0.31770
   D481       1.79031   0.00007  -0.00741   0.00619  -0.00122   1.78909
   D482      -2.40754   0.00001  -0.00772   0.00614  -0.00157  -2.40911
   D483       2.74764   0.00005  -0.00446   0.00205  -0.00241   2.74523
   D484      -1.42983   0.00008  -0.00399   0.00266  -0.00133  -1.43116
   D485       0.65550   0.00002  -0.00430   0.00262  -0.00168   0.65382
   D486      -0.09130   0.00004   0.00322  -0.00137   0.00185  -0.08945
   D487       2.00491   0.00004   0.00319  -0.00074   0.00246   2.00737
   D488      -2.19418   0.00001   0.00326  -0.00129   0.00197  -2.19220
   D489       3.12879   0.00003  -0.00022   0.00217   0.00194   3.13074
   D490      -1.05818   0.00003  -0.00025   0.00280   0.00255  -1.05563
   D491       1.02592   0.00000  -0.00018   0.00225   0.00207   1.02798
         Item               Value     Threshold  Converged?
 Maximum Force            0.000625     0.000450     NO 
 RMS     Force            0.000038     0.000300     YES
 Maximum Displacement     0.022629     0.001800     NO 
 RMS     Displacement     0.002440     0.001200     NO 
 Predicted change in Energy=-7.032621D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:42:42 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.831253   -0.595258    1.670746
      2          6           0       -2.066880    1.117235   -1.363910
      3          8           0       -2.617963    0.137331   -1.895178
      4          7           0       -0.775929    1.160960   -0.935937
      5          1           0       -2.613629    2.060425   -1.163216
      6          6           0       -0.234464    2.330429   -0.243390
      7          1           0       -0.987152    3.130809   -0.225519
      8          1           0        0.038669    2.061800    0.789497
      9          1           0        0.667327    2.689671   -0.765678
     10          6           0        0.131497    0.023780   -1.105872
     11          1           0        0.699192   -0.127206   -0.174513
     12          1           0       -0.452609   -0.878716   -1.328608
     13          1           0        0.841768    0.216453   -1.926910
     14          6           0       -2.002337   -4.006144    2.610123
     15          8           0       -2.117769   -3.858338    3.838821
     16          7           0       -2.948914   -3.695216    1.683119
     17          1           0       -1.073947   -4.399373    2.150142
     18          6           0       -4.246680   -3.131979    2.063975
     19          1           0       -4.513509   -2.335159    1.351609
     20          1           0       -5.030159   -3.907595    2.036242
     21          1           0       -4.180243   -2.713977    3.076715
     22          6           0       -2.708229   -3.875747    0.251241
     23          1           0       -3.422444   -4.603969   -0.166884
     24          1           0       -2.841845   -2.914002   -0.271148
     25          1           0       -1.682231   -4.235508    0.091713
     26          6           0        1.545781    0.383236    2.617775
     27          8           0        1.365973    1.397771    3.312582
     28          7           0        1.174417   -0.881530    2.956323
     29          1           0        2.030192    0.429559    1.622549
     30          6           0        1.488377   -2.027839    2.103266
     31          1           0        2.235519   -2.676191    2.591212
     32          1           0        0.576605   -2.620855    1.926275
     33          1           0        1.881541   -1.673552    1.140642
     34          6           0        0.533338   -1.165554    4.242569
     35          1           0        1.281760   -1.475794    4.991741
     36          1           0        0.015909   -0.264390    4.595545
     37          1           0       -0.191879   -1.981319    4.109057
     38          6           0       -4.608418    1.101611    2.911935
     39          8           0       -4.863787    1.675747    1.839071
     40          7           0       -3.531905    1.352454    3.705538
     41          1           0       -5.247415    0.287590    3.309757
     42          6           0       -2.537953    2.373049    3.358510
     43          1           0       -2.621108    2.616824    2.291397
     44          1           0       -2.697738    3.283254    3.959662
     45          1           0       -1.531948    1.980030    3.569371
     46          6           0       -3.250555    0.549599    4.895723
     47          1           0       -4.065236   -0.168814    5.060657
     48          1           0       -2.302765    0.001070    4.760030
     49          1           0       -3.154204    1.203472    5.777528
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.492462   0.000000
     3  O    3.724434   1.243443   0.000000
     4  N    3.315540   1.360745   2.315393   0.000000
     5  H    3.961831   1.108522   2.057687   2.058600   0.000000
     6  C    3.843605   2.466810   3.635814   1.463032   2.565036
     7  H    4.265197   2.552690   3.795815   2.104665   2.161117
     8  H    3.366477   3.156375   4.238957   2.110025   3.293596
     9  H    4.792684   3.210346   4.310840   2.109250   3.364321
    10  C    3.456184   2.468823   2.862766   1.464745   3.418615
    11  H    3.166576   3.257982   3.746222   2.101218   4.091215
    12  H    3.313176   2.567281   2.458070   2.102142   3.651836
    13  H    4.554893   3.096548   3.460781   2.119213   3.990392
    14  C    3.542012   6.484298   6.151839   6.385733   7.170427
    15  O    3.928146   7.199120   7.006733   7.056359   7.765179
    16  N    3.295308   5.763857   5.253775   5.929903   6.429731
    17  H    3.908277   6.615696   6.271386   6.366318   7.421452
    18  C    3.524751   5.878584   5.386650   6.282906   6.327929
    19  H    3.213036   5.027829   4.499770   5.605820   5.408794
    20  H    4.619325   6.752109   6.134833   7.254141   7.189813
    21  H    3.461715   6.234071   5.940572   6.534972   6.574664
    22  C    3.680447   5.286767   4.551929   5.523729   6.103095
    23  H    4.688127   6.000216   5.110197   6.389826   6.786826
    24  H    3.188859   4.248008   3.463846   4.616846   5.058932
    25  H    3.970765   5.560454   4.893368   5.567702   6.486996
    26  C    3.641247   5.426222   6.145240   4.315561   5.865966
    27  O    4.109750   5.807990   6.676916   4.763794   6.025704
    28  N    3.281572   5.758948   6.241577   4.808878   6.322579
    29  H    3.995413   5.116428   5.836535   3.867184   5.655553
    30  C    3.641333   5.878150   6.126789   4.953007   6.649080
    31  H    4.660062   6.967331   7.183306   6.019413   7.748903
    32  H    3.156916   5.637964   5.693536   4.931909   6.452668
    33  H    3.902380   5.445300   5.721978   4.405540   6.281473
    34  C    3.539888   6.588237   7.021406   5.826129   7.037959
    35  H    4.636292   7.637505   8.077107   6.806168   8.097061
    36  H    3.475043   6.462352   7.016277   5.766794   6.744076
    37  H    3.248703   6.562776   6.813618   5.972185   7.070886
    38  C    3.483182   4.974185   5.291510   5.431171   4.637388
    39  O    3.792368   4.288789   4.621153   4.967520   3.771593
    40  N    3.290315   5.282133   5.803433   5.401422   5.004920
    41  H    3.890493   5.713780   5.833348   6.227590   5.485186
    42  C    3.486949   4.909199   5.710173   4.797517   4.533153
    43  H    3.365493   3.989637   4.865727   3.992482   3.499141
    44  H    4.586152   5.781872   6.646980   5.671365   5.267473
    45  H    3.213482   5.036648   5.868242   4.641146   4.855294
    46  C    3.704807   6.395804   6.832750   6.364417   6.276864
    47  H    4.082160   6.849994   7.111397   6.967566   6.768550
    48  H    3.181447   6.229295   6.664061   6.010043   6.278729
    49  H    4.674536   7.224254   7.764961   7.122402   7.014308
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098848   0.000000
     8  H    1.101644   1.795925   0.000000
     9  H    1.102300   1.795459   1.791089   0.000000
    10  C    2.489665   3.417606   2.784703   2.740406   0.000000
    11  H    2.629910   3.668926   2.481402   2.878417   1.101137
    12  H    3.394686   4.192711   3.657097   3.782133   1.097856
    13  H    2.908850   3.838378   3.380701   2.737827   1.102592
    14  C    7.170779   7.746456   6.655850   7.959716   5.882360
    15  O    7.649322   8.163660   6.999760   8.475529   6.676828
    16  N    6.883899   7.354320   6.547323   7.735669   5.576588
    17  H    7.191937   7.896515   6.695971   7.860572   5.623078
    18  C    7.159589   7.422185   6.853018   8.126870   6.259008
    19  H    6.528550   6.693231   6.353861   7.521495   5.760199
    20  H    8.191969   8.426186   7.929759   9.156201   7.209112
    21  H    7.213757   7.433849   6.770423   8.213545   6.601549
    22  C    6.699313   7.230576   6.564269   7.452061   5.011199
    23  H    7.632492   8.109308   7.571423   8.383434   5.910013
    24  H    5.856899   6.323109   5.846447   6.630234   4.262405
    25  H    6.732002   7.405835   6.565401   7.362992   4.781773
    26  C    3.891928   4.695661   2.903716   4.187968   3.999370
    27  O    4.009512   4.588984   2.927222   4.334664   4.789000
    28  N    4.747609   5.558360   3.827303   5.183041   4.290536
    29  H    3.496241   4.451570   2.706354   3.559373   3.348728
    30  C    5.241133   6.177632   4.533519   5.582102   4.043369
    31  H    6.261153   7.213934   5.524571   6.520768   5.038371
    32  H    5.466305   6.336970   4.848597   5.954538   4.047979
    33  H    4.735492   5.760007   4.179992   4.913867   3.315179
    34  C    5.738924   6.382354   4.752286   6.321650   5.493798
    35  H    6.647772   7.320421   5.631936   7.132776   6.383786
    36  H    5.496459   5.981318   4.460681   6.155772   5.709865
    37  H    6.126727   6.749435   5.236358   6.805838   5.596470
    38  C    5.531505   5.203349   5.198281   6.624217   6.306449
    39  O    5.118191   4.626882   5.028391   6.197255   6.029473
    40  N    5.236753   5.009144   4.664275   6.278014   6.191572
    41  H    6.475162   6.223497   6.119004   7.573858   6.964200
    42  C    4.275695   3.977996   3.651806   5.232876   5.707516
    43  H    3.493314   3.044481   3.104540   4.490525   5.083518
    44  H    4.963995   4.523836   4.362318   5.831367   6.654952
    45  H    4.042696   4.002785   3.193935   4.912540   5.334029
    46  C    6.219216   6.165449   5.474198   7.209797   6.908974
    47  H    7.003852   6.950236   6.329335   8.032077   7.461618
    48  H    5.893895   6.031734   5.049164   6.825209   6.350981
    49  H    6.785748   6.666882   5.984281   7.721815   7.718077
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795368   0.000000
    13  H    1.791458   1.797991   0.000000
    14  C    5.486221   5.262706   6.819379   0.000000
    15  O    6.161450   6.192999   7.655484   1.242928   0.000000
    16  N    5.430485   4.820239   6.534732   1.360889   2.316131
    17  H    5.176819   4.988265   6.449664   1.108206   2.057649
    18  C    6.204929   5.566129   7.282271   2.469720   2.865299
    19  H    5.863135   5.078947   6.777788   3.268337   3.774369
    20  H    7.211397   6.438190   8.197187   3.083303   3.425454
    21  H    6.408646   6.055601   7.671002   2.575010   2.478743
    22  C    5.083635   4.070128   5.838914   2.465687   3.635887
    23  H    6.085174   4.903777   6.672155   3.175824   4.278295
    24  H    4.507162   3.311958   5.109824   3.193629   4.278773
    25  H    4.756069   3.846731   5.501397   2.549013   3.791144
    26  C    2.962117   4.600002   4.601914   5.644100   5.736158
    27  O    3.863934   5.479988   5.396534   6.406346   6.327722
    28  N    3.255301   4.583433   5.016193   4.469322   4.525338
    29  H    2.304557   4.072494   3.749190   6.075529   6.364236
    30  C    3.069772   4.106783   4.658033   4.044216   4.400814
    31  H    4.062864   5.081529   5.542866   4.441684   4.680290
    32  H    3.262916   3.832570   4.792459   3.006264   3.528293
    33  H    2.349206   3.489587   3.750083   4.762864   5.296031
    34  C    4.540517   5.665014   6.329893   4.142883   3.800324
    35  H    5.371058   6.581136   7.136178   4.781221   4.308427
    36  H    4.820700   5.974319   6.592091   4.692115   4.247549
    37  H    4.751917   5.554450   6.506268   3.102334   2.702828
    38  C    6.261539   6.258965   7.341829   5.742117   5.627036
    39  O    6.184811   6.001496   6.990386   6.408300   6.493513
    40  N    5.928437   6.308946   7.221079   5.679268   5.400917
    41  H    6.904660   6.772360   8.031556   5.427354   5.221428
    42  C    5.404871   6.073854   6.633935   6.445236   6.263979
    43  H    4.963346   5.479564   5.962164   6.659442   6.676495
    44  H    6.345217   7.094251   7.522307   7.445815   7.166122
    45  H    4.840981   5.773005   6.241301   6.080765   5.873868
    46  C    6.462652   6.972151   7.962815   5.247553   4.672275
    47  H    7.078737   7.374127   8.547117   4.998577   4.347195
    48  H    5.777363   6.424065   7.392540   4.557425   3.972138
    49  H    7.214302   7.882340   8.735008   6.204785   5.518578
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056562   0.000000
    18  C    1.465089   3.417594   0.000000
    19  H    2.099431   4.090137   1.101628   0.000000
    20  H    2.121647   3.988287   1.102810   1.791146   0.000000
    21  H    2.102644   3.653515   1.097625   1.797375   1.797127
    22  C    1.463145   2.559470   2.491189   2.615961   2.928925
    23  H    2.114846   3.305436   2.796936   2.940024   2.814862
    24  H    2.107348   3.345809   2.733838   2.400595   3.331665
    25  H    2.104513   2.152671   3.418185   3.635216   3.885530
    26  C    6.140817   5.473116   6.798238   6.760758   7.873526
    27  O    6.871092   6.396198   7.319804   7.235225   8.407524
    28  N    5.151673   4.252092   5.937096   6.086103   6.964222
    29  H    6.465982   5.764774   7.230389   7.108945   8.296421
    30  C    4.758804   3.491686   5.840509   6.056572   6.784489
    31  H    5.361099   3.757188   6.519557   6.870393   7.390158
    32  H    3.693597   2.436712   4.852246   5.130412   5.753573
    33  H    5.264475   4.145371   6.366683   6.432643   7.318788
    34  C    5.007599   4.173631   5.609070   5.932646   6.583249
    35  H    5.811318   4.708647   6.471353   6.897406   7.381664
    36  H    5.389152   4.926039   5.727266   5.943637   6.729471
    37  H    4.052635   3.234559   4.684846   5.138599   5.605003
    38  C    5.222402   6.582829   4.332802   3.775581   5.102631
    39  O    5.704235   7.167059   4.852384   4.055574   5.589299
    40  N    5.468915   6.445489   4.828641   4.483639   5.718342
    41  H    4.877684   6.382019   3.774506   3.354367   4.389604
    42  C    6.308697   7.033432   5.907698   5.486137   6.885200
    43  H    6.349748   7.186145   5.978540   5.383913   6.959646
    44  H    7.344711   8.058152   6.866445   6.454884   7.800515
    45  H    6.146068   6.551393   5.980687   5.694649   7.017984
    46  C    5.332004   6.063676   4.750272   4.741058   5.586610
    47  H    5.008937   5.942772   4.218219   4.318685   4.904758
    48  H    4.852568   5.261692   4.567659   4.686436   5.489569
    49  H    6.387760   6.991228   5.812066   5.827382   6.606015
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391140   0.000000
    23  H    3.829786   1.102378   0.000000
    24  H    3.611025   1.102586   1.789959   0.000000
    25  H    4.179157   1.098886   1.797491   1.795202   0.000000
    26  C    6.526155   6.468077   7.570323   6.202332   6.175261
    27  O    6.908155   7.333548   8.429501   7.010010   7.169336
    28  N    5.660807   5.599799   6.688954   5.538761   5.255055
    29  H    7.110971   6.547425   7.633459   6.205017   6.155355
    30  C    5.792378   4.945327   5.992176   5.017364   4.355790
    31  H    6.434216   5.599558   6.583005   5.833462   4.901809
    32  H    4.894873   3.894949   4.930157   4.074359   3.327922
    33  H    6.447952   5.167852   6.199131   5.083527   4.512687
    34  C    5.096535   5.812366   6.849392   5.901065   5.618093
    35  H    5.918944   6.644707   7.650256   6.838901   6.357008
    36  H    5.090678   6.271826   7.303077   6.234733   6.240029
    37  H    4.184443   4.980323   5.966448   5.203692   4.841649
    38  C    3.843071   5.955174   6.590850   5.420142   6.708282
    39  O    4.611797   6.163336   6.748048   5.441237   6.936749
    40  N    4.165528   6.320181   7.105393   5.873062   6.906978
    41  H    3.194146   5.756332   6.272551   5.372135   6.597330
    42  C    5.352976   6.980799   7.866988   6.420255   7.421405
    43  H    5.609372   6.806122   7.669754   6.099622   7.257723
    44  H    6.240528   8.062492   8.930950   7.505098   8.516106
    45  H    5.412012   6.832550   7.802731   6.357433   7.123875
    46  C    3.850200   6.438091   7.226258   6.233790   6.959555
    47  H    3.229104   6.222001   6.885562   6.120530   6.848877
    48  H    3.705395   5.960141   6.836267   5.839606   6.334575
    49  H    4.867603   7.519122   8.314707   7.323772   8.004855
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242727   0.000000
    28  N    1.360940   2.314914   0.000000
    29  H    1.107824   2.057871   2.056759   0.000000
    30  C    2.466029   3.634864   1.462978   2.561925   0.000000
    31  H    3.136325   4.227724   2.116613   3.259778   1.103029
    32  H    3.231413   4.323690   2.107992   3.392666   1.101962
    33  H    2.554414   3.796862   2.103336   2.162731   1.098518
    34  C    2.462468   2.851104   1.464951   3.413131   2.496449
    35  H    3.026783   3.329271   2.123111   3.942331   2.948006
    36  H    2.582925   2.496286   2.100012   3.657540   3.389598
    37  H    3.291581   3.805197   2.098833   4.114930   2.616988
    38  C    6.202964   5.995129   6.113591   6.795977   6.900602
    39  O    6.584795   6.407684   6.651904   7.009052   7.357740
    40  N    5.282567   4.913825   5.263219   6.010615   6.260742
    41  H    6.829019   6.705923   6.536948   7.471973   7.224107
    42  C    4.602709   4.024166   4.953356   5.259150   6.095473
    43  H    4.739030   4.292519   5.204480   5.183249   6.204527
    44  H    5.312083   4.526313   5.774574   5.996582   7.012666
    45  H    3.595511   2.966970   3.986071   4.345447   5.228273
    46  C    5.312398   4.953591   5.038828   6.214046   6.074413
    47  H    6.144587   5.916754   5.691235   7.023736   6.560850
    48  H    4.421156   4.183960   4.015363   5.366741   5.054466
    49  H    5.722472   5.152253   5.571660   6.688852   6.745008
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788071   0.000000
    33  H    1.798538   1.793728   0.000000
    34  C    2.811837   2.735871   3.420185   0.000000
    35  H    2.848360   3.347460   3.902540   1.103468   0.000000
    36  H    3.841979   3.604484   4.171651   1.097462   1.796343
    37  H    2.946008   2.400856   3.633907   1.099654   1.790614
    38  C    7.823945   6.458539   7.277264   5.774796   6.757425
    39  O    8.360935   6.932983   7.563402   6.555818   7.592054
    40  N    7.122842   5.986051   6.711244   4.811961   5.729282
    41  H    8.080508   6.655244   7.705398   6.033147   6.969125
    42  C    6.990680   6.057296   6.389511   4.768239   5.663147
    43  H    7.189765   6.147516   6.324983   5.297545   6.266877
    44  H    7.856505   7.050850   7.313453   5.505614   6.288889
    45  H    6.068854   5.321080   5.558713   3.822735   4.677906
    46  C    6.768568   5.789348   6.736576   4.205497   4.965210
    47  H    7.216967   6.114208   7.279761   4.775944   5.504844
    48  H    5.698028   4.816163   5.780376   3.110025   3.883765
    49  H    7.365698   6.586088   7.425410   4.643958   5.241536
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796578   0.000000
    38  C    5.107337   5.517551   0.000000
    39  O    5.930743   6.352455   1.243336   0.000000
    40  N    3.999159   4.736311   1.360738   2.315627   0.000000
    41  H    5.446146   5.598684   1.108697   2.058415   2.057560
    42  C    3.874086   5.002790   2.470386   2.864337   1.466282
    43  H    4.534793   5.508898   2.574944   2.473829   2.104275
    44  H    4.511541   5.832442   3.083504   3.431145   2.118584
    45  H    2.913127   4.216554   3.266268   3.766653   2.100529
    46  C    3.379715   4.047208   2.466561   3.635086   1.462968
    47  H    4.108674   4.381051   2.554610   3.797198   2.105955
    48  H    2.339609   2.968075   3.153201   4.230293   2.109260
    49  H    3.687996   4.658547   3.215079   4.319394   2.111397
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419459   0.000000
    43  H    3.655116   1.097757   0.000000
    44  H    3.987133   1.102447   1.798085   0.000000
    45  H    4.091020   1.100442   1.795827   1.791588   0.000000
    46  C    2.563471   2.489135   3.384100   2.941884   2.599799
    47  H    2.161366   3.419205   4.184983   3.872855   3.641293
    48  H    3.294897   2.765114   3.610770   3.401371   2.434772
    49  H    3.363073   2.756687   3.799324   2.799730   2.847932
                   46         47         48         49
    46  C    0.000000
    47  H    1.098647   0.000000
    48  H    1.103451   1.795979   0.000000
    49  H    1.102004   1.796399   1.790537   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144445      0.1944542      0.1848221
 Leave Link  202 at Mon Nov 14 03:42:42 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.2725162139 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1841815259 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0883346880 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4034
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.51D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     222
 GePol: Fraction of low-weight points (<1% of avg)   =       5.50%
 GePol: Cavity surface area                          =    467.522 Ang**2
 GePol: Cavity volume                                =    458.114 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039916144 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.0843430736 Hartrees.
 Leave Link  301 at Mon Nov 14 03:42:43 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11988 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:42:44 2016, MaxMem=  2952790016 cpu:        14.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:42:44 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000668    0.001931   -0.001539
         Rot=    1.000000   -0.000034   -0.000048   -0.000097 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50893316242    
 Leave Link  401 at Mon Nov 14 03:42:51 2016, MaxMem=  2952790016 cpu:        81.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48819468.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   2373.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.81D-15 for   2300    514.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.07D-14 for   1906.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.28D-08 for   2503   2470.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.02D-14 for   2026.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.18D-14 for   1902    712.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.67D-15 for   2958.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.07D-15 for   1987    286.
 E= -1013.45134331787    
 DIIS: error= 1.80D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45134331787     IErMin= 1 ErrMin= 1.80D-04
 ErrMax= 1.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-05 BMatP= 3.16D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.80D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.13D-05 MaxDP=1.02D-03              OVMax= 1.38D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.13D-05    CP:  1.00D+00
 E= -1013.45139469466     Delta-E=       -0.000051376786 Rises=F Damp=F
 DIIS: error= 2.54D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45139469466     IErMin= 2 ErrMin= 2.54D-05
 ErrMax= 2.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.27D-07 BMatP= 3.16D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.298D-01 0.970D+00
 Coeff:      0.298D-01 0.970D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.33D-06 MaxDP=4.16D-04 DE=-5.14D-05 OVMax= 5.91D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.14D-06    CP:  1.00D+00  9.51D-01
 E= -1013.45139205616     Delta-E=        0.000002638500 Rises=F Damp=F
 DIIS: error= 6.80D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45139469466     IErMin= 2 ErrMin= 2.54D-05
 ErrMax= 6.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-06 BMatP= 7.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-02 0.708D+00 0.289D+00
 Coeff:      0.313D-02 0.708D+00 0.289D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.40D-06 MaxDP=3.33D-04 DE= 2.64D-06 OVMax= 5.36D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.04D-06    CP:  1.00D+00  9.70D-01  3.07D-01
 E= -1013.45139522187     Delta-E=       -0.000003165710 Rises=F Damp=F
 DIIS: error= 1.43D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45139522187     IErMin= 4 ErrMin= 1.43D-05
 ErrMax= 1.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-07 BMatP= 7.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.507D-05 0.311D+00 0.177D+00 0.512D+00
 Coeff:     -0.507D-05 0.311D+00 0.177D+00 0.512D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=5.40D-05 DE=-3.17D-06 OVMax= 1.10D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.79D-07    CP:  1.00D+00  9.73D-01  3.45D-01  5.87D-01
 E= -1013.45139530899     Delta-E=       -0.000000087124 Rises=F Damp=F
 DIIS: error= 5.56D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45139530899     IErMin= 5 ErrMin= 5.56D-06
 ErrMax= 5.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-08 BMatP= 1.11D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.173D-04 0.144D+00 0.915D-01 0.335D+00 0.429D+00
 Coeff:     -0.173D-04 0.144D+00 0.915D-01 0.335D+00 0.429D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.88D-07 MaxDP=1.95D-05 DE=-8.71D-08 OVMax= 2.65D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.80D-07    CP:  1.00D+00  9.74D-01  3.39D-01  6.05D-01  6.27D-01
 E= -1013.45139532131     Delta-E=       -0.000000012311 Rises=F Damp=F
 DIIS: error= 7.29D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45139532131     IErMin= 6 ErrMin= 7.29D-07
 ErrMax= 7.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.64D-10 BMatP= 1.40D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-04 0.631D-01 0.413D-01 0.157D+00 0.230D+00 0.509D+00
 Coeff:     -0.208D-04 0.631D-01 0.413D-01 0.157D+00 0.230D+00 0.509D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.41D-08 MaxDP=2.93D-06 DE=-1.23D-08 OVMax= 3.57D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.75D-08    CP:  1.00D+00  9.74D-01  3.40D-01  6.06D-01  6.41D-01
                    CP:  8.72D-01
 E= -1013.45139532149     Delta-E=       -0.000000000180 Rises=F Damp=F
 DIIS: error= 1.40D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45139532149     IErMin= 7 ErrMin= 1.40D-07
 ErrMax= 1.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.24D-11 BMatP= 3.64D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.150D-04 0.104D-01 0.741D-02 0.298D-01 0.522D-01 0.262D+00
 Coeff-Com:  0.638D+00
 Coeff:     -0.150D-04 0.104D-01 0.741D-02 0.298D-01 0.522D-01 0.262D+00
 Coeff:      0.638D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.79D-08 MaxDP=7.82D-07 DE=-1.80D-10 OVMax= 8.16D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.29D-08    CP:  1.00D+00  9.74D-01  3.40D-01  6.08D-01  6.39D-01
                    CP:  8.74D-01  7.56D-01
 E= -1013.45139532151     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 2.61D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45139532151     IErMin= 8 ErrMin= 2.61D-08
 ErrMax= 2.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-12 BMatP= 3.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.671D-05 0.259D-02 0.197D-02 0.801D-02 0.152D-01 0.953D-01
 Coeff-Com:  0.276D+00 0.601D+00
 Coeff:     -0.671D-05 0.259D-02 0.197D-02 0.801D-02 0.152D-01 0.953D-01
 Coeff:      0.276D+00 0.601D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.15D-09 MaxDP=2.72D-07 DE=-2.86D-11 OVMax= 4.67D-07

 Error on total polarization charges =  0.04321
 SCF Done:  E(RB97D) =  -1013.45139532     A.U. after    8 cycles
            NFock=  8  Conv=0.51D-08     -V/T= 2.0213
 KE= 9.923511808590D+02 PE=-6.029733172631D+03 EE= 2.174846253377D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:44:33 2016, MaxMem=  2952790016 cpu:      1167.6
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11988 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 03:44:41 2016, MaxMem=  2952790016 cpu:        97.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:44:42 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:45:18 2016, MaxMem=  2952790016 cpu:       441.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23367368D+00-2.53996165D+00 3.31911619D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000382994    0.000525351   -0.000097185
      2        6          -0.000112155   -0.000028952    0.000114231
      3        8          -0.000004090    0.000044126   -0.000093067
      4        7          -0.000082461    0.000003006   -0.000069007
      5        1           0.000118389    0.000040738    0.000087599
      6        6           0.000094875    0.000266754   -0.000124986
      7        1          -0.000044334   -0.000008998    0.000020341
      8        1          -0.000033575   -0.000211988    0.000214943
      9        1          -0.000028882    0.000008121   -0.000040696
     10        6           0.000142775   -0.000103445    0.000115511
     11        1          -0.000043796    0.000105330   -0.000031327
     12        1           0.000026799    0.000045508   -0.000026629
     13        1           0.000017950    0.000049096    0.000039956
     14        6           0.000022433   -0.000054189   -0.000001308
     15        8          -0.000032983    0.000021760   -0.000071472
     16        7          -0.000018220    0.000017963   -0.000013621
     17        1           0.000028270   -0.000002396   -0.000007005
     18        6           0.000026000   -0.000062698    0.000020687
     19        1           0.000028849   -0.000008444   -0.000075313
     20        1          -0.000003897   -0.000010544   -0.000056480
     21        1           0.000012954   -0.000040257   -0.000040578
     22        6          -0.000013614    0.000025756   -0.000084692
     23        1           0.000043635    0.000014311   -0.000077157
     24        1           0.000018285   -0.000069261    0.000004694
     25        1           0.000023342    0.000022092   -0.000023443
     26        6           0.000000409   -0.000058050    0.000078392
     27        8           0.000017078    0.000015817   -0.000050027
     28        7          -0.000060935    0.000037720    0.000029507
     29        1           0.000025261    0.000072290    0.000038171
     30        6          -0.000056107   -0.000033869   -0.000049167
     31        1          -0.000020753    0.000018824    0.000020301
     32        1          -0.000053757   -0.000073801    0.000017230
     33        1           0.000023447    0.000004335    0.000009591
     34        6          -0.000089840    0.000041028    0.000104336
     35        1          -0.000012690   -0.000015282    0.000000001
     36        1          -0.000022262   -0.000071210    0.000015086
     37        1           0.000001412   -0.000028402   -0.000003089
     38        6          -0.000286003   -0.000076879   -0.000362866
     39        8           0.000210328   -0.000161986    0.000413785
     40        7           0.000241664    0.000151964   -0.000112857
     41        1          -0.000051036   -0.000016816   -0.000075602
     42        6          -0.000605204   -0.000471773    0.000190217
     43        1           0.000031451    0.000154915    0.000006643
     44        1           0.000331940    0.000185503   -0.000119736
     45        1           0.000063274    0.000011360    0.000080623
     46        6          -0.000105124   -0.000050999    0.000286270
     47        1           0.000013835   -0.000078894   -0.000055316
     48        1          -0.000126866   -0.000083529   -0.000110585
     49        1          -0.000039067   -0.000061005   -0.000034904
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000605204 RMS     0.000128242
 Leave Link  716 at Mon Nov 14 03:45:19 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000475676 RMS     0.000024561
 Search for a local minimum.
 Step number  79 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .24561D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   46   56   60   61   62
                                                     64   65   66   67   68
                                                     69   70   71   72   73
                                                     74   75   76   77   78
                                                     79
 DE= -8.15D-06 DEPred=-7.03D-06 R= 1.16D+00
 TightC=F SS=  1.41D+00  RLast= 9.34D-02 DXNew= 2.5396D-01 2.8034D-01
 Trust test= 1.16D+00 RLast= 9.34D-02 DXMaxT set to 2.54D-01
 ITU=  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0
 ITU=  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00013   0.00061   0.00092   0.00142   0.00153
     Eigenvalues ---    0.00174   0.00187   0.00225   0.00291   0.00393
     Eigenvalues ---    0.00422   0.00440   0.00585   0.00656   0.00709
     Eigenvalues ---    0.00722   0.00840   0.00847   0.00951   0.01014
     Eigenvalues ---    0.01092   0.01112   0.01173   0.01232   0.01285
     Eigenvalues ---    0.01311   0.01470   0.01519   0.01573   0.01642
     Eigenvalues ---    0.01656   0.01715   0.01788   0.01836   0.01897
     Eigenvalues ---    0.01921   0.01999   0.02098   0.02119   0.02201
     Eigenvalues ---    0.02293   0.02365   0.02597   0.02677   0.02945
     Eigenvalues ---    0.03088   0.03373   0.03853   0.04252   0.04316
     Eigenvalues ---    0.04485   0.05197   0.05475   0.05686   0.06024
     Eigenvalues ---    0.06154   0.06236   0.06353   0.06612   0.06713
     Eigenvalues ---    0.07071   0.07254   0.07417   0.07706   0.08006
     Eigenvalues ---    0.08064   0.08144   0.08182   0.08326   0.08518
     Eigenvalues ---    0.08625   0.08757   0.08985   0.09024   0.09272
     Eigenvalues ---    0.09594   0.09734   0.09893   0.09989   0.10103
     Eigenvalues ---    0.10333   0.10448   0.10503   0.10818   0.11005
     Eigenvalues ---    0.11227   0.11318   0.11385   0.11708   0.13234
     Eigenvalues ---    0.13420   0.14307   0.14679   0.15180   0.15340
     Eigenvalues ---    0.15524   0.16104   0.21324   0.22407   0.22607
     Eigenvalues ---    0.23641   0.24211   0.24685   0.25614   0.26169
     Eigenvalues ---    0.26893   0.27454   0.28153   0.29181   0.29607
     Eigenvalues ---    0.29832   0.31461   0.32766   0.32815   0.32825
     Eigenvalues ---    0.32897   0.33298   0.33346   0.33373   0.33375
     Eigenvalues ---    0.33399   0.33423   0.33462   0.33569   0.33692
     Eigenvalues ---    0.33793   0.33818   0.33835   0.33923   0.33966
     Eigenvalues ---    0.34065   0.34187   0.34199   0.37253   0.38949
     Eigenvalues ---    0.40302   0.40496   0.85917   0.86120   0.86421
     Eigenvalues ---    0.90840
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    79   78   77   76   75
 RFO step:  Lambda=-1.38828876D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  5.52D-05 SmlDif=  1.00D-05
 RMS Error=  0.1036285839D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.32018   -0.17986   -0.05696   -0.06861   -0.01475
 Iteration  1 RMS(Cart)=  0.00253398 RMS(Int)=  0.00008635
 Iteration  2 RMS(Cart)=  0.00000800 RMS(Int)=  0.00000426
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000426
 ITry= 1 IFail=0 DXMaxC= 2.21D-02 DCOld= 1.00D+10 DXMaxT= 2.54D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59980  -0.00003  -0.00049  -0.00017  -0.00067   6.59913
    R2        6.26546   0.00001  -0.00127  -0.00309  -0.00437   6.26110
    R3        7.26336   0.00004  -0.00024  -0.01005  -0.01030   7.25306
    R4        6.36172  -0.00014  -0.00019  -0.01258  -0.01276   6.34896
    R5        6.53124   0.00003  -0.00138   0.00037  -0.00101   6.53023
    R6        5.98396   0.00001  -0.00147  -0.00306  -0.00453   5.97944
    R7        6.69343   0.00000  -0.00041   0.00169   0.00128   6.69471
    R8        6.22723   0.00001  -0.00046  -0.00039  -0.00086   6.22637
    R9        6.66081   0.00002  -0.00026  -0.00059  -0.00085   6.65997
   R10        6.07176   0.00000  -0.00114  -0.00061  -0.00175   6.07001
   R11        6.95504   0.00002  -0.00057  -0.00055  -0.00112   6.95392
   R12        6.02607   0.00003   0.00000   0.00020   0.00021   6.02628
   R13        6.88096   0.00003  -0.00001   0.00349   0.00348   6.88444
   R14        6.20127  -0.00003   0.00043  -0.00114  -0.00071   6.20056
   R15        6.88112  -0.00004   0.00024  -0.00251  -0.00227   6.87885
   R16        5.96571  -0.00002   0.00009   0.00039   0.00048   5.96618
   R17        6.68942   0.00000  -0.00017  -0.00433  -0.00451   6.68491
   R18        6.58226  -0.00003  -0.00120  -0.00606  -0.00726   6.57500
   R19        6.21780  -0.00003  -0.00009  -0.00028  -0.00038   6.21742
   R20        6.58938   0.00001  -0.00144  -0.00235  -0.00380   6.58558
   R21        6.07260   0.00003  -0.00331  -0.01472  -0.01801   6.05459
   R22        7.00107   0.00003   0.00051   0.00097   0.00147   7.00254
   R23        6.01206  -0.00006   0.00075   0.00182   0.00257   6.01464
   R24        2.34977   0.00004  -0.00003  -0.00004  -0.00006   2.34970
   R25        2.57143  -0.00002   0.00005   0.00014   0.00019   2.57162
   R26        2.09480  -0.00002  -0.00001  -0.00001  -0.00002   2.09479
   R27        2.76473   0.00003   0.00002  -0.00029  -0.00027   2.76446
   R28        2.76797   0.00006   0.00001  -0.00008  -0.00007   2.76790
   R29        2.07652   0.00001   0.00000   0.00002   0.00002   2.07654
   R30        2.08181   0.00016   0.00011   0.00134   0.00146   2.08326
   R31        2.08305   0.00000   0.00002   0.00009   0.00010   2.08315
   R32        2.08085  -0.00005   0.00004  -0.00017  -0.00013   2.08072
   R33        2.07465  -0.00001   0.00000  -0.00005  -0.00005   2.07460
   R34        2.08360  -0.00002   0.00001   0.00002   0.00003   2.08362
   R35        2.34879  -0.00003  -0.00001  -0.00005  -0.00006   2.34874
   R36        2.57171   0.00001   0.00001   0.00012   0.00014   2.57184
   R37        2.09421   0.00001   0.00000   0.00000   0.00000   2.09420
   R38        2.76862  -0.00002   0.00002  -0.00001   0.00001   2.76863
   R39        2.76494   0.00003   0.00002   0.00016   0.00019   2.76513
   R40        2.08178   0.00003   0.00004   0.00034   0.00038   2.08216
   R41        2.08401   0.00001  -0.00001   0.00001   0.00000   2.08401
   R42        2.07421  -0.00001   0.00001   0.00002   0.00002   2.07423
   R43        2.08319   0.00000   0.00000   0.00001   0.00002   2.08321
   R44        2.08359  -0.00004   0.00007   0.00003   0.00010   2.08368
   R45        2.07659   0.00000   0.00000   0.00000   0.00000   2.07660
   R46        2.34841  -0.00004   0.00000   0.00005   0.00005   2.34846
   R47        2.57180   0.00003  -0.00001   0.00020   0.00020   2.57200
   R48        2.09348   0.00001  -0.00001   0.00001   0.00000   2.09349
   R49        2.76463   0.00004  -0.00007   0.00020   0.00013   2.76476
   R50        2.76836   0.00005  -0.00003   0.00031   0.00028   2.76863
   R51        2.08442  -0.00002   0.00000  -0.00005  -0.00005   2.08437
   R52        2.08241   0.00001  -0.00006  -0.00019  -0.00024   2.08217
   R53        2.07590   0.00001   0.00002   0.00002   0.00004   2.07594
   R54        2.08525   0.00000   0.00001  -0.00006  -0.00005   2.08520
   R55        2.07390  -0.00004   0.00001  -0.00001   0.00000   2.07390
   R56        2.07804   0.00000  -0.00001  -0.00007  -0.00008   2.07796
   R57        2.34957  -0.00048   0.00010  -0.00021  -0.00011   2.34946
   R58        2.57142   0.00008   0.00000   0.00042   0.00043   2.57186
   R59        2.09513   0.00000  -0.00005  -0.00001  -0.00005   2.09508
   R60        2.77087  -0.00006   0.00011   0.00016   0.00028   2.77115
   R61        2.76461   0.00010  -0.00012   0.00027   0.00015   2.76476
   R62        2.07446   0.00005  -0.00001   0.00003   0.00003   2.07449
   R63        2.08332   0.00004  -0.00005  -0.00008  -0.00013   2.08319
   R64        2.07953   0.00005  -0.00007   0.00039   0.00035   2.07989
   R65        2.07614  -0.00001   0.00001  -0.00004  -0.00003   2.07611
   R66        2.08522  -0.00004   0.00015  -0.00017  -0.00001   2.08521
   R67        2.08249  -0.00004   0.00005  -0.00010  -0.00004   2.08244
    A1        0.67942  -0.00001   0.00005   0.00061   0.00066   0.68009
    A2        0.95575   0.00001   0.00006   0.00124   0.00129   0.95705
    A3        0.72639   0.00001   0.00009   0.00003   0.00011   0.72650
    A4        1.01819   0.00000   0.00022   0.00024   0.00045   1.01864
    A5        2.34532   0.00001   0.00013   0.00003   0.00016   2.34548
    A6        2.02823   0.00000   0.00003  -0.00055  -0.00052   2.02771
    A7        1.98624   0.00000  -0.00013  -0.00143  -0.00156   1.98468
    A8        1.69401   0.00000  -0.00012  -0.00174  -0.00186   1.69215
    A9        1.65675   0.00000   0.00004  -0.00025  -0.00021   1.65654
   A10        1.37559   0.00001  -0.00001  -0.00041  -0.00042   1.37517
   A11        1.72824   0.00000  -0.00001   0.00089   0.00089   1.72913
   A12        2.03194   0.00001   0.00012   0.00082   0.00094   2.03288
   A13        1.93652   0.00001   0.00031   0.00086   0.00117   1.93769
   A14        2.02240   0.00001   0.00048   0.00172   0.00219   2.02460
   A15        2.42699   0.00002   0.00000   0.00096   0.00096   2.42795
   A16        1.58776   0.00000   0.00069  -0.00118  -0.00049   1.58727
   A17        1.78465  -0.00001   0.00063  -0.00011   0.00053   1.78517
   A18        1.56029   0.00000   0.00045   0.00110   0.00155   1.56184
   A19        1.69785   0.00000   0.00019   0.00048   0.00067   1.69851
   A20        2.18831   0.00001   0.00056  -0.00004   0.00052   2.18883
   A21        2.40660   0.00000   0.00043   0.00044   0.00086   2.40746
   A22        0.64238   0.00001   0.00014   0.00063   0.00077   0.64314
   A23        0.65870  -0.00001   0.00022   0.00039   0.00062   0.65931
   A24        2.39494   0.00000   0.00009   0.00064   0.00073   2.39567
   A25        2.22585  -0.00001  -0.00001  -0.00033  -0.00034   2.22551
   A26        2.32821  -0.00001  -0.00012  -0.00130  -0.00142   2.32679
   A27        2.06515  -0.00001  -0.00009  -0.00174  -0.00182   2.06332
   A28        1.81805  -0.00001  -0.00004  -0.00036  -0.00040   1.81765
   A29        1.57806   0.00000  -0.00005  -0.00060  -0.00065   1.57741
   A30        1.33557   0.00001  -0.00006   0.00077   0.00071   1.33628
   A31        1.63351   0.00001   0.00007   0.00077   0.00084   1.63435
   A32        1.58240   0.00001   0.00024   0.00096   0.00120   1.58360
   A33        1.73223   0.00001   0.00039   0.00189   0.00227   1.73451
   A34        2.03076   0.00002  -0.00003   0.00090   0.00088   2.03164
   A35        1.85031   0.00001   0.00092  -0.00133  -0.00041   1.84990
   A36        1.91470   0.00000   0.00084  -0.00033   0.00051   1.91521
   A37        1.56494   0.00001   0.00066   0.00039   0.00105   1.56599
   A38        1.58117   0.00001   0.00033  -0.00028   0.00005   1.58121
   A39        2.26872   0.00002   0.00067   0.00035   0.00101   2.26973
   A40        2.36216   0.00002   0.00037   0.00098   0.00134   2.36351
   A41        0.68827   0.00000   0.00009   0.00074   0.00083   0.68909
   A42        0.74558  -0.00001   0.00027   0.00122   0.00149   0.74706
   A43        2.65761   0.00000  -0.00002   0.00145   0.00143   2.65904
   A44        2.60378   0.00000  -0.00004   0.00046   0.00042   2.60420
   A45        2.66391   0.00000  -0.00007  -0.00087  -0.00094   2.66297
   A46        2.35964  -0.00001  -0.00004  -0.00116  -0.00120   2.35844
   A47        2.19615  -0.00001  -0.00008   0.00035   0.00027   2.19642
   A48        1.96262   0.00000  -0.00006   0.00012   0.00006   1.96269
   A49        1.09244   0.00001  -0.00007   0.00067   0.00060   1.09304
   A50        1.45150   0.00001  -0.00001   0.00065   0.00065   1.45215
   A51        1.55068   0.00002   0.00014   0.00122   0.00136   1.55204
   A52        1.78426   0.00002   0.00023   0.00211   0.00235   1.78661
   A53        1.77924   0.00002  -0.00015   0.00041   0.00027   1.77951
   A54        1.70911   0.00001   0.00109  -0.00180  -0.00072   1.70839
   A55        1.64298  -0.00001   0.00093  -0.00108  -0.00015   1.64283
   A56        1.24219   0.00000   0.00075  -0.00068   0.00007   1.24227
   A57        1.20845   0.00000   0.00038  -0.00120  -0.00082   1.20763
   A58        1.93632   0.00002   0.00068  -0.00021   0.00046   1.93678
   A59        1.98501   0.00002   0.00036   0.00030   0.00066   1.98568
   A60        0.84048   0.00000   0.00041  -0.00030   0.00011   0.84059
   A61        0.77692  -0.00002   0.00065  -0.00019   0.00045   0.77738
   A62        2.59887  -0.00001   0.00024  -0.00069  -0.00046   2.59841
   A63        2.77029  -0.00001   0.00025  -0.00089  -0.00065   2.76964
   A64        2.61613   0.00001  -0.00016   0.00021   0.00004   2.61618
   A65        2.39630  -0.00001   0.00016  -0.00081  -0.00066   2.39564
   A66        2.20251   0.00001   0.00014  -0.00054  -0.00040   2.20211
   A67        0.85109  -0.00001   0.00011  -0.00063  -0.00051   0.85058
   A68        1.22670  -0.00001   0.00018  -0.00084  -0.00066   1.22603
   A69        1.40527   0.00000   0.00040  -0.00060  -0.00020   1.40507
   A70        1.67494   0.00000   0.00047   0.00002   0.00049   1.67543
   A71        1.51708   0.00000  -0.00008  -0.00071  -0.00079   1.51628
   A72        1.72303   0.00002   0.00071   0.00014   0.00085   1.72388
   A73        1.55256   0.00000   0.00055   0.00043   0.00098   1.55354
   A74        1.12342   0.00001   0.00043   0.00039   0.00082   1.12425
   A75        1.01267   0.00000   0.00013  -0.00053  -0.00039   1.01228
   A76        1.76885   0.00002   0.00030   0.00105   0.00135   1.77020
   A77        1.76050   0.00002   0.00006   0.00104   0.00111   1.76161
   A78        1.99651   0.00000  -0.00006   0.00075   0.00069   1.99721
   A79        1.94348   0.00000  -0.00018  -0.00021  -0.00039   1.94309
   A80        2.22395   0.00000  -0.00027  -0.00098  -0.00125   2.22270
   A81        2.08435   0.00000  -0.00020  -0.00175  -0.00195   2.08240
   A82        1.55591  -0.00001  -0.00025  -0.00055  -0.00080   1.55511
   A83        1.39081   0.00000  -0.00022  -0.00089  -0.00111   1.38971
   A84        1.19622   0.00000  -0.00001   0.00044   0.00044   1.19666
   A85        1.37984   0.00000   0.00012   0.00063   0.00074   1.38059
   A86        1.21127   0.00000   0.00023   0.00080   0.00103   1.21230
   A87        1.31481   0.00000   0.00034   0.00182   0.00216   1.31698
   A88        1.80615   0.00001   0.00012   0.00095   0.00107   1.80721
   A89        2.28076   0.00001   0.00097  -0.00129  -0.00032   2.28044
   A90        2.32447   0.00000   0.00100  -0.00035   0.00065   2.32512
   A91        1.92995   0.00001   0.00086   0.00002   0.00087   1.93082
   A92        1.85274   0.00000   0.00055  -0.00081  -0.00027   1.85248
   A93        2.60909   0.00002   0.00073   0.00070   0.00142   2.61051
   A94        2.55116   0.00002   0.00025   0.00131   0.00156   2.55272
   A95        1.91291   0.00002  -0.00029   0.00019  -0.00010   1.91281
   A96        1.99574   0.00001  -0.00039  -0.00084  -0.00124   1.99450
   A97        2.37316   0.00001  -0.00042  -0.00134  -0.00176   2.37140
   A98        2.33127   0.00000  -0.00029  -0.00221  -0.00250   2.32877
   A99        1.66836   0.00001  -0.00046  -0.00140  -0.00186   1.66649
   A100       1.57666   0.00001  -0.00035  -0.00168  -0.00204   1.57463
   A101       0.89016   0.00000  -0.00001   0.00071   0.00070   0.89086
   A102       1.05786   0.00001   0.00003   0.00069   0.00072   1.05858
   A103       0.92587   0.00002   0.00005   0.00061   0.00065   0.92652
   A104       1.08434   0.00003   0.00009   0.00138   0.00147   1.08582
   A105       1.48408   0.00002   0.00003   0.00101   0.00104   1.48512
   A106       2.45400   0.00000   0.00134  -0.00064   0.00071   2.45471
   A107       2.32665  -0.00002   0.00116   0.00034   0.00150   2.32815
   A108       1.89461  -0.00001   0.00105   0.00023   0.00128   1.89590
   A109       1.72279  -0.00001   0.00071  -0.00048   0.00024   1.72303
   A110       2.44607   0.00001   0.00060   0.00156   0.00216   2.44823
   A111       2.28707   0.00002   0.00013   0.00176   0.00189   2.28896
   A112       0.71402   0.00000   0.00005  -0.00006   0.00000   0.71402
   A113       1.00576   0.00000   0.00010  -0.00003   0.00008   1.00584
   A114       0.69578   0.00001   0.00005   0.00003   0.00008   0.69587
   A115       0.98360   0.00000   0.00011   0.00008   0.00019   0.98379
   A116       1.80760   0.00000  -0.00008  -0.00020  -0.00028   1.80732
   A117       1.42663   0.00000  -0.00008   0.00003  -0.00005   1.42659
   A118       1.19574  -0.00001  -0.00018  -0.00013  -0.00032   1.19542
   A119       0.92415  -0.00001  -0.00023  -0.00072  -0.00095   0.92321
   A120       1.24975  -0.00001   0.00012   0.00007   0.00019   1.24994
   A121       1.91358  -0.00001  -0.00106   0.00037  -0.00069   1.91289
   A122       1.96174   0.00000  -0.00094  -0.00039  -0.00133   1.96041
   A123       2.32073  -0.00001  -0.00073  -0.00107  -0.00180   2.31893
   A124       2.23895  -0.00001  -0.00034  -0.00050  -0.00083   2.23812
   A125       1.61903  -0.00002  -0.00076  -0.00094  -0.00169   1.61734
   A126       1.48651  -0.00002  -0.00053  -0.00112  -0.00165   1.48486
   A127       0.65643   0.00000   0.00011   0.00003   0.00013   0.65656
   A128       0.66124   0.00000   0.00004   0.00005   0.00009   0.66133
   A129       2.17290   0.00000  -0.00012  -0.00058  -0.00070   2.17220
   A130       1.79991   0.00000  -0.00008  -0.00029  -0.00036   1.79955
   A131       1.50941  -0.00001  -0.00018  -0.00066  -0.00085   1.50857
   A132       1.21833  -0.00001  -0.00018  -0.00102  -0.00120   1.21713
   A133       1.64313  -0.00001   0.00015   0.00003   0.00019   1.64332
   A134       1.75842  -0.00001  -0.00090   0.00098   0.00008   1.75850
   A135       1.95977   0.00001  -0.00079   0.00052  -0.00028   1.95949
   A136       2.38947   0.00000  -0.00068   0.00050  -0.00018   2.38929
   A137       2.47070   0.00000  -0.00034   0.00076   0.00042   2.47112
   A138       1.72895  -0.00002  -0.00057  -0.00041  -0.00099   1.72796
   A139       1.69352  -0.00002  -0.00034  -0.00072  -0.00105   1.69246
   A140       0.70480   0.00000   0.00004   0.00006   0.00010   0.70491
   A141       0.83315   0.00000  -0.00005  -0.00009  -0.00013   0.83302
   A142       2.49798   0.00000   0.00006   0.00015   0.00021   2.49819
   A143       2.11902  -0.00001   0.00002   0.00029   0.00031   2.11933
   A144       1.90534  -0.00001  -0.00014  -0.00034  -0.00048   1.90486
   A145       1.62269  -0.00002  -0.00017  -0.00089  -0.00106   1.62163
   A146       1.83460  -0.00002   0.00021   0.00056   0.00077   1.83537
   A147       1.33304  -0.00001  -0.00089   0.00100   0.00011   1.33315
   A148       1.57363   0.00001  -0.00069   0.00085   0.00016   1.57379
   A149       2.00398   0.00000  -0.00061   0.00110   0.00050   2.00447
   A150       2.18300   0.00000  -0.00030   0.00183   0.00153   2.18453
   A151       1.43312  -0.00002  -0.00037   0.00002  -0.00035   1.43277
   A152       1.49573  -0.00002  -0.00008  -0.00018  -0.00026   1.49547
   A153       0.76715   0.00000   0.00017  -0.00007   0.00010   0.76725
   A154       0.76872  -0.00001   0.00004  -0.00032  -0.00027   0.76845
   A155       2.81017   0.00000   0.00005   0.00003   0.00007   2.81024
   A156       2.42842   0.00000   0.00003   0.00020   0.00024   2.42865
   A157       2.16495  -0.00001  -0.00008  -0.00071  -0.00078   2.16416
   A158       1.87267  -0.00002  -0.00006  -0.00104  -0.00109   1.87158
   A159       2.14428  -0.00001   0.00019   0.00075   0.00094   2.14521
   A160       1.19566  -0.00001  -0.00077   0.00142   0.00064   1.19630
   A161       1.52127   0.00002  -0.00059   0.00150   0.00091   1.52218
   A162       1.91756   0.00000  -0.00057   0.00200   0.00142   1.91898
   A163       2.17780   0.00001  -0.00036   0.00262   0.00226   2.18006
   A164       1.50474  -0.00001  -0.00026   0.00062   0.00036   1.50510
   A165       1.64509  -0.00002   0.00000   0.00041   0.00041   1.64550
   A166       2.16618   0.00000  -0.00029  -0.00129  -0.00158   2.16459
   A167       1.86668   0.00000  -0.00016  -0.00093  -0.00109   1.86559
   A168       1.48306  -0.00001  -0.00021  -0.00125  -0.00146   1.48160
   A169       1.20365  -0.00001  -0.00011  -0.00112  -0.00124   1.20242
   A170       1.87107   0.00000   0.00012  -0.00036  -0.00024   1.87083
   A171       1.96240  -0.00001  -0.00058   0.00137   0.00079   1.96319
   A172       2.26918   0.00001  -0.00055   0.00112   0.00056   2.26975
   A173       2.68406   0.00000  -0.00043   0.00182   0.00139   2.68545
   A174       2.11752  -0.00001  -0.00045  -0.00017  -0.00062   2.11689
   A175       2.10165  -0.00001  -0.00030  -0.00065  -0.00095   2.10071
   A176       2.27536   0.00000  -0.00021  -0.00140  -0.00161   2.27375
   A177       2.05488   0.00000  -0.00004  -0.00104  -0.00108   2.05380
   A178       1.64604  -0.00001  -0.00004  -0.00129  -0.00134   1.64470
   A179       1.39433  -0.00001   0.00009  -0.00089  -0.00081   1.39352
   A180       2.13764   0.00000   0.00021  -0.00035  -0.00014   2.13750
   A181       1.89500  -0.00001  -0.00044   0.00131   0.00087   1.89586
   A182       2.26950   0.00001  -0.00039   0.00142   0.00103   2.27053
   A183       2.58585   0.00000  -0.00022   0.00246   0.00224   2.58809
   A184       2.25671  -0.00002  -0.00033   0.00009  -0.00024   2.25647
   A185       2.31944  -0.00002  -0.00019  -0.00043  -0.00063   2.31881
   A186       0.69090   0.00001  -0.00003  -0.00001  -0.00003   0.69087
   A187       0.98122   0.00001  -0.00007   0.00011   0.00005   0.98127
   A188       0.69948   0.00001  -0.00001   0.00002   0.00001   0.69949
   A189       2.11281   0.00001   0.00066   0.00009   0.00075   2.11356
   A190       1.73093  -0.00001   0.00052  -0.00006   0.00045   1.73138
   A191       1.40334   0.00000   0.00056  -0.00093  -0.00037   1.40296
   A192       1.09797  -0.00001   0.00044  -0.00120  -0.00076   1.09721
   A193       1.61667   0.00001   0.00023   0.00088   0.00112   1.61779
   A194       1.40457   0.00002   0.00004   0.00101   0.00105   1.40562
   A195       0.66603   0.00001  -0.00008   0.00005  -0.00003   0.66600
   A196       2.25644   0.00000   0.00006   0.00013   0.00019   2.25663
   A197       1.85749  -0.00001   0.00003  -0.00034  -0.00031   1.85717
   A198       1.64113  -0.00001   0.00022  -0.00143  -0.00121   1.63992
   A199       1.32136  -0.00001   0.00019  -0.00142  -0.00123   1.32013
   A200       1.60763  -0.00001  -0.00021   0.00050   0.00029   1.60793
   A201       1.34045   0.00001  -0.00032   0.00061   0.00029   1.34075
   A202       0.70956   0.00001   0.00001   0.00049   0.00050   0.71006
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   A204       2.25317  -0.00001  -0.00017  -0.00022  -0.00040   2.25277
   A205       2.05125   0.00000   0.00026  -0.00117  -0.00092   2.05033
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   A208       1.66445   0.00001  -0.00054   0.00040  -0.00015   1.66430
   A209       0.83434   0.00001  -0.00006  -0.00016  -0.00021   0.83413
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   A212       2.29375   0.00001  -0.00004  -0.00172  -0.00177   2.29198
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   A216       1.93070  -0.00001  -0.00042  -0.00012  -0.00053   1.93017
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   A220       1.23794  -0.00002  -0.00047  -0.00009  -0.00056   1.23738
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   A224       0.69793   0.00001   0.00002   0.00015   0.00017   0.69810
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   A229       0.85051   0.00001  -0.00008  -0.00038  -0.00045   0.85006
   A230       0.75791   0.00002   0.00014   0.00164   0.00178   0.75969
   A231       0.78112   0.00001   0.00004   0.00122   0.00127   0.78239
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   A239       2.03334  -0.00002   0.00013   0.00025   0.00037   2.03371
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   A241       2.53907   0.00001  -0.00124   0.00613   0.00489   2.54396
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   A243       1.91842  -0.00009   0.00021  -0.00158  -0.00137   1.91705
   A244       1.91665   0.00001  -0.00020   0.00081   0.00060   1.91725
   A245       1.90942   0.00003   0.00005   0.00008   0.00012   1.90954
   A246       1.90785   0.00002   0.00002   0.00002   0.00004   1.90789
   A247       1.89745   0.00004  -0.00004   0.00107   0.00104   1.89849
   A248       1.28034   0.00000   0.00025   0.00329   0.00354   1.28388
   A249       1.90468  -0.00003   0.00028   0.00035   0.00063   1.90531
   A250       1.90937  -0.00002   0.00000   0.00008   0.00008   1.90945
   A251       1.92816   0.00000  -0.00011  -0.00003  -0.00013   1.92803
   A252       1.91047   0.00004  -0.00013  -0.00012  -0.00024   1.91023
   A253       1.89830   0.00002  -0.00003  -0.00025  -0.00028   1.89802
   A254       1.91273   0.00000  -0.00002  -0.00004  -0.00005   1.91268
   A255       1.72353  -0.00003   0.00012   0.00059   0.00070   1.72424
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   A260       2.12572  -0.00001   0.00006  -0.00005   0.00001   2.12573
   A261       2.12235   0.00001  -0.00003   0.00018   0.00015   2.12250
   A262       2.03481   0.00001  -0.00003  -0.00011  -0.00014   2.03468
   A263       1.35654   0.00000   0.00060  -0.00040   0.00020   1.35674
   A264       1.90130  -0.00002   0.00006  -0.00030  -0.00025   1.90105
   A265       1.93092   0.00001  -0.00002   0.00022   0.00021   1.93112
   A266       1.90990   0.00000  -0.00007  -0.00007  -0.00013   1.90976
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   A268       1.91330   0.00001   0.00005   0.00006   0.00010   1.91340
   A269       1.91138   0.00000  -0.00002  -0.00001  -0.00003   1.91135
   A270       2.66698   0.00001   0.00051   0.00081   0.00133   2.66831
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   A272       1.92423   0.00001  -0.00001   0.00028   0.00027   1.92450
   A273       1.91357  -0.00001   0.00001   0.00001   0.00002   1.91359
   A274       1.91352  -0.00001   0.00001  -0.00008  -0.00008   1.91344
   A275       1.89441   0.00001   0.00002  -0.00009  -0.00008   1.89433
   A276       1.91089   0.00000   0.00000  -0.00003  -0.00003   1.91087
   A277       1.90703   0.00000  -0.00003  -0.00008  -0.00011   1.90691
   A278       1.80349   0.00002  -0.00015   0.00090   0.00075   1.80424
   A279       1.75496   0.00003   0.00002  -0.00025  -0.00023   1.75473
   A280       2.18968   0.00000  -0.00005  -0.00001  -0.00006   2.18962
   A281       2.13105  -0.00003   0.00007  -0.00045  -0.00039   2.13066
   A282       1.96238   0.00003  -0.00002   0.00045   0.00043   1.96281
   A283       2.12300  -0.00001  -0.00003  -0.00004  -0.00007   2.12293
   A284       2.11531   0.00002  -0.00008  -0.00022  -0.00030   2.11502
   A285       2.04201  -0.00001   0.00014   0.00026   0.00040   2.04240
   A286       2.69357  -0.00001   0.00030   0.00290   0.00320   2.69677
   A287       1.66625   0.00001  -0.00036  -0.00287  -0.00323   1.66302
   A288       1.92621   0.00000   0.00010  -0.00004   0.00007   1.92628
   A289       1.91532   0.00001  -0.00014  -0.00004  -0.00018   1.91514
   A290       1.91247   0.00000  -0.00003  -0.00008  -0.00011   1.91236
   A291       1.89144  -0.00002   0.00012   0.00013   0.00025   1.89169
   A292       1.91218   0.00000   0.00004   0.00004   0.00008   1.91225
   A293       1.90598   0.00001  -0.00009  -0.00001  -0.00010   1.90589
   A294       1.35558   0.00001  -0.00041  -0.00679  -0.00720   1.34838
   A295       1.14919   0.00000   0.00009   0.00440   0.00449   1.15368
   A296       1.93243  -0.00001   0.00011   0.00039   0.00051   1.93294
   A297       1.90659   0.00000  -0.00005  -0.00002  -0.00008   1.90651
   A298       1.90268   0.00000  -0.00002  -0.00063  -0.00067   1.90202
   A299       1.90951   0.00000   0.00000  -0.00010  -0.00010   1.90941
   A300       1.89775   0.00000  -0.00001   0.00056   0.00055   1.89831
   A301       1.91480   0.00001  -0.00003  -0.00020  -0.00022   1.91458
   A302       1.65212  -0.00004  -0.00148  -0.00323  -0.00471   1.64741
   A303       1.80257   0.00001   0.00116   0.00138   0.00254   1.80511
   A304       2.19028  -0.00006   0.00015  -0.00053  -0.00038   2.18990
   A305       2.12973   0.00002  -0.00002  -0.00035  -0.00036   2.12938
   A306       1.96280   0.00005  -0.00014   0.00087   0.00072   1.96352
   A307       2.12535   0.00003   0.00000   0.00055   0.00055   2.12589
   A308       2.12404  -0.00009   0.00009  -0.00062  -0.00053   2.12351
   A309       2.03103   0.00006  -0.00016  -0.00017  -0.00032   2.03070
   A310       1.30143   0.00008   0.00035   0.00643   0.00679   1.30822
   A311       3.05356  -0.00004  -0.00103  -0.00808  -0.00912   3.04445
   A312       1.91058   0.00005  -0.00020  -0.00001  -0.00024   1.91035
   A313       1.92556   0.00001  -0.00009  -0.00077  -0.00091   1.92465
   A314       1.90261   0.00000   0.00010   0.00125   0.00134   1.90395
   A315       1.91319  -0.00005   0.00037   0.00080   0.00121   1.91440
   A316       1.91222   0.00003  -0.00008  -0.00049  -0.00055   1.91167
   A317       1.89957  -0.00005  -0.00010  -0.00078  -0.00086   1.89871
   A318       1.78512  -0.00004   0.00020  -0.00200  -0.00179   1.78333
   A319       1.91599   0.00003   0.00013  -0.00018  -0.00005   1.91594
   A320       1.91553  -0.00008  -0.00009  -0.00063  -0.00071   1.91482
   A321       1.92003   0.00000  -0.00002   0.00024   0.00023   1.92025
   A322       1.90745  -0.00002   0.00018  -0.00044  -0.00026   1.90719
   A323       1.90996   0.00002  -0.00009   0.00047   0.00038   1.91034
   A324       1.89469   0.00004  -0.00012   0.00054   0.00042   1.89511
   A325       2.94199   0.00001  -0.00008  -0.00019  -0.00027   2.94173
   A326       3.35459   0.00000   0.00024   0.00023   0.00046   3.35505
   A327       3.07343   0.00001   0.00019   0.00007   0.00025   3.07368
   A328       3.19307   0.00000   0.00023   0.00326   0.00349   3.19656
   A329       3.26793   0.00000   0.00058  -0.00042   0.00017   3.26809
   A330       3.26509   0.00002  -0.00041  -0.00689  -0.00730   3.25779
   A331       3.69509  -0.00001   0.00012  -0.00153  -0.00141   3.69367
   A332       3.21965  -0.00002   0.00028  -0.00159  -0.00131   3.21834
   A333       2.97910   0.00001  -0.00018   0.00232   0.00214   2.98123
   A334       2.91154   0.00001  -0.00026   0.00267   0.00241   2.91395
   A335       3.22738  -0.00001  -0.00001   0.00027   0.00026   3.22764
   A336       3.07861  -0.00001  -0.00017  -0.00011  -0.00028   3.07834
   A337       3.10060   0.00001  -0.00015   0.00196   0.00181   3.10241
   A338       3.04512  -0.00001   0.00014   0.00056   0.00071   3.04582
    D1        2.75819   0.00000   0.00012  -0.00009   0.00003   2.75822
    D2       -1.36200   0.00001   0.00006   0.00117   0.00123  -1.36077
    D3        2.78337  -0.00001   0.00062  -0.00253  -0.00191   2.78146
    D4       -1.33682   0.00000   0.00056  -0.00128  -0.00071  -1.33753
    D5        1.66218   0.00000   0.00006  -0.00094  -0.00088   1.66130
    D6       -2.45801   0.00001   0.00001   0.00032   0.00032  -2.45769
    D7        1.84372   0.00001  -0.00008  -0.00189  -0.00197   1.84175
    D8       -2.27647   0.00002  -0.00014  -0.00063  -0.00077  -2.27724
    D9        0.32493   0.00000   0.00024  -0.00241  -0.00216   0.32276
   D10        2.48792   0.00000   0.00018  -0.00115  -0.00097   2.48695
   D11        0.03438   0.00000   0.00034  -0.00122  -0.00088   0.03350
   D12        2.19737   0.00001   0.00028   0.00004   0.00032   2.19769
   D13       -0.43628   0.00000   0.00034  -0.00095  -0.00060  -0.43688
   D14        1.72671   0.00001   0.00028   0.00031   0.00059   1.72731
   D15       -0.55957   0.00001   0.00030  -0.00032  -0.00001  -0.55958
   D16        1.60343   0.00001   0.00025   0.00094   0.00119   1.60461
   D17        0.21115   0.00000   0.00048  -0.00041   0.00008   0.21123
   D18        2.37415   0.00001   0.00042   0.00085   0.00127   2.37542
   D19        0.14360   0.00000   0.00040  -0.00006   0.00035   0.14394
   D20        2.30659   0.00001   0.00034   0.00120   0.00155   2.30814
   D21        2.40514   0.00000   0.00019  -0.00161  -0.00142   2.40372
   D22       -1.71505   0.00001   0.00013  -0.00036  -0.00023  -1.71527
   D23        2.16055   0.00001   0.00036  -0.00139  -0.00103   2.15952
   D24       -1.95964   0.00002   0.00030  -0.00013   0.00017  -1.95948
   D25        1.72073   0.00000   0.00029  -0.00179  -0.00150   1.71923
   D26       -2.39946   0.00000   0.00023  -0.00053  -0.00030  -2.39976
   D27        1.41515  -0.00001   0.00033  -0.00194  -0.00162   1.41353
   D28       -2.70504   0.00000   0.00027  -0.00069  -0.00042  -2.70546
   D29        2.36713   0.00002   0.00075  -0.00056   0.00019   2.36732
   D30       -1.75306   0.00002   0.00069   0.00069   0.00138  -1.75168
   D31       -1.75442   0.00001   0.00099  -0.00165  -0.00065  -1.75508
   D32        0.40857   0.00002   0.00093  -0.00039   0.00054   0.40912
   D33       -2.10621  -0.00001   0.00086  -0.00148  -0.00062  -2.10682
   D34        0.05679   0.00000   0.00080  -0.00022   0.00058   0.05737
   D35       -2.47852   0.00000   0.00083  -0.00241  -0.00158  -2.48010
   D36       -0.31553   0.00001   0.00077  -0.00115  -0.00038  -0.31591
   D37       -2.76794  -0.00001   0.00066  -0.00272  -0.00206  -2.77000
   D38       -0.60495   0.00000   0.00060  -0.00147  -0.00086  -0.60581
   D39       -2.13672   0.00002   0.00064   0.00016   0.00080  -2.13593
   D40        0.02627   0.00003   0.00058   0.00141   0.00199   0.02826
   D41       -2.38152   0.00003   0.00027   0.00092   0.00119  -2.38034
   D42       -0.21853   0.00004   0.00021   0.00217   0.00239  -0.21614
   D43        1.25975  -0.00001  -0.00081   0.00364   0.00283   1.26258
   D44       -1.92835   0.00000  -0.00014   0.00067   0.00053  -1.92782
   D45        2.45406   0.00002  -0.00077   0.00256   0.00179   2.45585
   D46       -0.73405   0.00002  -0.00010  -0.00041  -0.00051  -0.73456
   D47        2.94018   0.00000  -0.00080   0.00171   0.00091   2.94109
   D48       -0.24793   0.00001  -0.00013  -0.00126  -0.00139  -0.24932
   D49        2.86745  -0.00001  -0.00039   0.00317   0.00278   2.87023
   D50       -0.32065   0.00000   0.00028   0.00020   0.00048  -0.32017
   D51        2.05013  -0.00002  -0.00040   0.00212   0.00172   2.05185
   D52       -1.13798  -0.00001   0.00027  -0.00085  -0.00058  -1.13856
   D53        1.15437   0.00000  -0.00036   0.00204   0.00168   1.15605
   D54       -2.03374   0.00001   0.00031  -0.00093  -0.00062  -2.03436
   D55        1.01036   0.00000  -0.00054   0.00356   0.00302   1.01337
   D56       -2.17775   0.00001   0.00013   0.00059   0.00072  -2.17703
   D57        2.01895  -0.00001  -0.00036   0.00346   0.00309   2.02204
   D58       -1.16916   0.00000   0.00031   0.00049   0.00080  -1.16837
   D59        1.82290   0.00000  -0.00052   0.00366   0.00314   1.82603
   D60       -1.36521   0.00000   0.00015   0.00069   0.00084  -1.36437
   D61       -2.27668   0.00000  -0.00075   0.00212   0.00137  -2.27530
   D62        0.81840   0.00001  -0.00007  -0.00085  -0.00093   0.81748
   D63       -2.41415   0.00000  -0.00057   0.00281   0.00223  -2.41192
   D64        0.68093   0.00001   0.00010  -0.00016  -0.00007   0.68086
   D65       -2.81638  -0.00001  -0.00051   0.00276   0.00225  -2.81413
   D66        0.27869   0.00000   0.00016  -0.00021  -0.00004   0.27865
   D67       -2.99448  -0.00001  -0.00034   0.00353   0.00318  -2.99129
   D68        0.10060   0.00000   0.00033   0.00056   0.00089   0.10149
   D69       -2.14001   0.00001  -0.00040   0.00360   0.00320  -2.13681
   D70        0.95507   0.00001   0.00027   0.00064   0.00091   0.95597
   D71       -0.16544   0.00000  -0.00056   0.00306   0.00250  -0.16294
   D72        2.92964   0.00001   0.00011   0.00009   0.00021   2.92984
   D73       -0.56281  -0.00001  -0.00064   0.00260   0.00196  -0.56085
   D74        2.53227   0.00000   0.00003  -0.00037  -0.00034   2.53193
   D75       -0.72745  -0.00001  -0.00045   0.00116   0.00070  -0.72675
   D76        2.36763   0.00000   0.00022  -0.00181  -0.00160   2.36603
   D77       -1.06563  -0.00002  -0.00038   0.00109   0.00071  -1.06492
   D78        2.02944  -0.00001   0.00029  -0.00188  -0.00158   2.02786
   D79       -0.84951   0.00000  -0.00088   0.00362   0.00274  -0.84677
   D80        2.24556   0.00001  -0.00021   0.00066   0.00044   2.24601
   D81       -1.15212   0.00001  -0.00103   0.00374   0.00271  -1.14941
   D82        1.94296   0.00002  -0.00036   0.00077   0.00041   1.94337
   D83       -1.53433   0.00000   0.00020   0.00115   0.00135  -1.53298
   D84       -2.60976   0.00002   0.00025   0.00059   0.00084  -2.60892
   D85       -2.94625  -0.00001   0.00058  -0.00120  -0.00062  -2.94687
   D86        0.73854   0.00000   0.00043   0.00038   0.00081   0.73935
   D87        0.31393   0.00000   0.00044   0.00055   0.00099   0.31493
   D88       -0.05981   0.00001   0.00037  -0.00013   0.00024  -0.05957
   D89       -0.39965   0.00001   0.00038   0.00052   0.00090  -0.39875
   D90        0.18302   0.00000   0.00054   0.00139   0.00193   0.18494
   D91       -0.05571   0.00000   0.00043   0.00152   0.00195  -0.05376
   D92        2.40801   0.00000   0.00035   0.00007   0.00042   2.40843
   D93        2.05840   0.00000   0.00042   0.00050   0.00092   2.05932
   D94        1.66567  -0.00001   0.00042   0.00027   0.00069   1.66636
   D95        1.37783  -0.00001   0.00052   0.00053   0.00105   1.37888
   D96        2.05917   0.00000   0.00061   0.00094   0.00155   2.06071
   D97       -1.90048   0.00001   0.00115   0.00061   0.00176  -1.89872
   D98       -2.43877  -0.00002   0.00058   0.00060   0.00118  -2.43759
   D99       -2.65012   0.00000   0.00054  -0.00082  -0.00028  -2.65040
   D100      -2.97736  -0.00001   0.00050  -0.00056  -0.00005  -2.97741
   D101      -2.91097  -0.00002  -0.00027   0.00222   0.00196  -2.90901
   D102       2.84518  -0.00001  -0.00055   0.00117   0.00062   2.84579
   D103      -2.91255   0.00001   0.00035   0.00348   0.00383  -2.90872
   D104       1.18525   0.00001   0.00031   0.00349   0.00381   1.18906
   D105       2.79826   0.00001   0.00020   0.00329   0.00349   2.80176
   D106       0.61288   0.00001   0.00017   0.00330   0.00347   0.61635
   D107       2.29791   0.00002   0.00004   0.00200   0.00203   2.29994
   D108       0.11253   0.00002   0.00000   0.00201   0.00201   0.11453
   D109       1.74052  -0.00001  -0.00025   0.00143   0.00119   1.74171
   D110      -0.44486  -0.00001  -0.00028   0.00144   0.00117  -0.44370
   D111       2.58189   0.00000   0.00032   0.00276   0.00308   2.58497
   D112       0.39651   0.00000   0.00028   0.00277   0.00305   0.39956
   D113       2.24556   0.00000   0.00032   0.00297   0.00330   2.24885
   D114       0.06018   0.00000   0.00029   0.00298   0.00327   0.06345
   D115      -1.61196   0.00000  -0.00004   0.00047   0.00043  -1.61153
   D116       2.48584   0.00000  -0.00007   0.00048   0.00040   2.48625
   D117      -1.77163   0.00000   0.00013   0.00026   0.00039  -1.77124
   D118       2.32617   0.00000   0.00009   0.00027   0.00036   2.32654
   D119      -2.73517   0.00000  -0.00004   0.00034   0.00031  -2.73486
   D120       1.36264   0.00000  -0.00007   0.00035   0.00028   1.36292
   D121      -2.69841   0.00000   0.00014   0.00067   0.00081  -2.69761
   D122       1.39939   0.00000   0.00011   0.00068   0.00078   1.40018
   D123       1.31980   0.00000   0.00037   0.00227   0.00264   1.32244
   D124      -0.86558   0.00000   0.00033   0.00228   0.00261  -0.86296
   D125       1.29114   0.00000   0.00021   0.00225   0.00245   1.29360
   D126      -0.89423   0.00000   0.00017   0.00226   0.00243  -0.89181
   D127       1.64673   0.00001   0.00011   0.00239   0.00250   1.64923
   D128      -0.53865   0.00001   0.00008   0.00240   0.00248  -0.53617
   D129       1.77348   0.00001  -0.00009   0.00148   0.00139   1.77488
   D130      -0.41190   0.00001  -0.00012   0.00149   0.00137  -0.41053
   D131       0.89178  -0.00001   0.00011   0.00187   0.00198   0.89376
   D132      -1.29360  -0.00001   0.00008   0.00188   0.00196  -1.29164
   D133      -0.95802   0.00000   0.00028   0.00206   0.00234  -0.95568
   D134       3.13978   0.00000   0.00024   0.00207   0.00232  -3.14108
   D135      -0.53154   0.00002   0.00017   0.00259   0.00275  -0.52878
   D136      -2.71692   0.00001   0.00013   0.00260   0.00273  -2.71419
   D137      -0.24146   0.00001  -0.00016   0.00399   0.00383  -0.23763
   D138      -2.42684   0.00001  -0.00019   0.00400   0.00381  -2.42303
   D139       0.16745   0.00002  -0.00016   0.00391   0.00375   0.17120
   D140      -2.01793   0.00002  -0.00019   0.00392   0.00372  -2.01420
   D141      -0.30991   0.00000   0.00031   0.00160   0.00192  -0.30799
   D142      -2.49529   0.00000   0.00028   0.00161   0.00189  -2.49339
   D143      -0.05859  -0.00001   0.00046   0.00148   0.00194  -0.05665
   D144      -2.24397  -0.00001   0.00042   0.00149   0.00192  -2.24206
   D145      -2.47907   0.00000  -0.00001   0.00186   0.00184  -2.47722
   D146      -2.72925   0.00000  -0.00008   0.00220   0.00212  -2.72714
   D147      -2.40677   0.00000  -0.00032   0.00296   0.00264  -2.40412
   D148       2.99662  -0.00002  -0.00007   0.00261   0.00254   2.99916
   D149       2.61139   0.00001  -0.00017   0.00293   0.00276   2.61415
   D150       1.51493  -0.00001  -0.00035   0.00015  -0.00020   1.51473
   D151       2.61644   0.00001  -0.00033   0.00020  -0.00013   2.61631
   D152       2.99117   0.00000  -0.00016   0.00042   0.00027   2.99144
   D153       1.17076   0.00000   0.00030   0.00309   0.00340   1.17415
   D154       1.23745  -0.00001  -0.00006   0.00218   0.00212   1.23958
   D155       1.63027   0.00000  -0.00021   0.00202   0.00181   1.63208
   D156       1.70910   0.00000  -0.00042   0.00084   0.00041   1.70951
   D157       0.88968  -0.00001  -0.00027   0.00139   0.00112   0.89080
   D158      -0.99621   0.00000   0.00039   0.00139   0.00178  -0.99443
   D159      -0.67290   0.00000   0.00035   0.00197   0.00233  -0.67057
   D160      -0.71573   0.00000   0.00013   0.00301   0.00315  -0.71258
   D161      -0.40878   0.00001  -0.00013   0.00272   0.00258  -0.40620
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   D164      -1.29102   0.00001  -0.00006   0.00214   0.00209  -1.28893
   D165       1.65854   0.00001   0.00005   0.00173   0.00178   1.66032
   D166      -1.66173   0.00001  -0.00015   0.00204   0.00190  -1.65983
   D167       1.28783   0.00001  -0.00004   0.00163   0.00159   1.28942
   D168      -1.74007   0.00001  -0.00031   0.00188   0.00157  -1.73850
   D169       1.20949   0.00001  -0.00021   0.00147   0.00126   1.21075
   D170      -1.99762  -0.00001  -0.00005  -0.00068  -0.00073  -1.99835
   D171       0.95194  -0.00001   0.00006  -0.00110  -0.00104   0.95090
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   D174      -2.31387   0.00001  -0.00026   0.00198   0.00172  -2.31214
   D175       0.63569   0.00001  -0.00015   0.00156   0.00141   0.63711
   D176       1.97751   0.00000  -0.00035  -0.00010  -0.00044   1.97706
   D177      -1.35612   0.00000  -0.00024  -0.00051  -0.00075  -1.35687
   D178       0.83126   0.00001  -0.00037   0.00007  -0.00029   0.83096
   D179      -2.50237   0.00001  -0.00026  -0.00034  -0.00060  -2.50297
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   D181      -2.96538   0.00000  -0.00017  -0.00052  -0.00068  -2.96606
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   D189      -0.36359  -0.00001  -0.00045  -0.00032  -0.00077  -0.36436
   D190       2.45936  -0.00001  -0.00015   0.00137   0.00122   2.46057
   D191      -0.87427  -0.00001  -0.00005   0.00095   0.00091  -0.87336
   D192       0.33381   0.00001   0.00065   0.00091   0.00155   0.33536
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   D199      -2.23148   0.00001   0.00053   0.00129   0.00182  -2.22966
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   D201      -1.90082  -0.00001   0.00049   0.00115   0.00164  -1.89918
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   D205      -0.52983   0.00001  -0.00054  -0.00029  -0.00083  -0.53065
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   D207      -0.84911   0.00001  -0.00052  -0.00112  -0.00164  -0.85075
   D208       1.19932   0.00000  -0.00097   0.00018  -0.00079   1.19853
   D209      -1.01455   0.00001  -0.00099   0.00042  -0.00057  -1.01512
   D210       2.11582   0.00000  -0.00039  -0.00069  -0.00109   2.11473
   D211      -0.09806   0.00001  -0.00041  -0.00045  -0.00087  -0.09892
   D212       2.23452  -0.00003  -0.00011  -0.00020  -0.00032   2.23420
   D213       0.02064  -0.00001  -0.00013   0.00004  -0.00010   0.02054
   D214      -2.22658   0.00000  -0.00043   0.00023  -0.00020  -2.22678
   D215       1.84273   0.00001  -0.00045   0.00047   0.00002   1.84275
   D216      -2.39056  -0.00001  -0.00059  -0.00054  -0.00113  -2.39168
   D217       1.67875   0.00001  -0.00061  -0.00029  -0.00091   1.67785
   D218      -1.99727  -0.00001  -0.00084  -0.00172  -0.00256  -1.99983
   D219       2.07204   0.00000  -0.00086  -0.00148  -0.00234   2.06970
   D220      -2.09608  -0.00002  -0.00102  -0.00502  -0.00605  -2.10213
   D221       1.97323  -0.00001  -0.00104  -0.00478  -0.00582   1.96740
   D222      -2.88623  -0.00001  -0.00056  -0.00028  -0.00084  -2.88707
   D223       1.18308   0.00000  -0.00059  -0.00003  -0.00062   1.18246
   D224       3.05967   0.00000  -0.00055  -0.00008  -0.00063   3.05904
   D225       0.84580   0.00001  -0.00057   0.00017  -0.00041   0.84539
   D226      -2.71465   0.00000  -0.00001   0.00006   0.00005  -2.71460
   D227       1.35466   0.00001  -0.00003   0.00031   0.00027   1.35494
   D228      -2.66095   0.00000   0.00007   0.00126   0.00133  -2.65963
   D229       1.40836   0.00001   0.00005   0.00150   0.00155   1.40991
   D230      -1.56828   0.00000   0.00004   0.00090   0.00094  -1.56734
   D231       2.50103   0.00001   0.00002   0.00115   0.00117   2.50219
   D232      -0.07470  -0.00002  -0.00148   0.00061  -0.00088  -0.07558
   D233      -2.28858   0.00000  -0.00150   0.00085  -0.00065  -2.28923
   D234      -0.20457   0.00000  -0.00128  -0.00027  -0.00155  -0.20612
   D235      -2.41844   0.00001  -0.00130  -0.00003  -0.00133  -2.41978
   D236       0.07884  -0.00001  -0.00108  -0.00103  -0.00211   0.07673
   D237      -2.13503   0.00000  -0.00110  -0.00079  -0.00189  -2.13693
   D238      -0.02173  -0.00001  -0.00080  -0.00015  -0.00095  -0.02268
   D239      -2.23561   0.00000  -0.00082   0.00009  -0.00072  -2.23633
   D240      -0.59502  -0.00002  -0.00115  -0.00053  -0.00169  -0.59671
   D241      -2.80889  -0.00001  -0.00117  -0.00029  -0.00146  -2.81036
   D242      -0.78445  -0.00002  -0.00096  -0.00064  -0.00160  -0.78604
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   D244      -2.93546   0.00001  -0.00020  -0.00123  -0.00143  -2.93689
   D245      -0.01513   0.00000  -0.00053  -0.00122  -0.00175  -0.01688
   D246      -3.12402   0.00001  -0.00019  -0.00160  -0.00180  -3.12582
   D247      -0.20369   0.00001  -0.00052  -0.00159  -0.00211  -0.20581
   D248       2.77588   0.00001  -0.00017  -0.00235  -0.00252   2.77336
   D249      -0.58698   0.00001  -0.00050  -0.00234  -0.00284  -0.58982
   D250       2.53896   0.00000  -0.00037  -0.00182  -0.00218   2.53678
   D251      -0.82389   0.00000  -0.00069  -0.00181  -0.00250  -0.82639
   D252      -2.89392   0.00000  -0.00004  -0.00184  -0.00188  -2.89581
   D253       0.02641   0.00000  -0.00036  -0.00183  -0.00220   0.02421
   D254      -3.06649  -0.00001   0.00018  -0.00108  -0.00090  -3.06740
   D255      -0.14616  -0.00001  -0.00014  -0.00108  -0.00122  -0.14738
   D256      -0.65169   0.00001  -0.00015  -0.00138  -0.00153  -0.65322
   D257       2.26864   0.00001  -0.00048  -0.00137  -0.00185   2.26679
   D258      -0.89757   0.00000  -0.00021  -0.00198  -0.00219  -0.89976
   D259       2.02275   0.00000  -0.00053  -0.00197  -0.00250   2.02025
   D260      -0.73278   0.00001  -0.00026  -0.00269  -0.00295  -0.73573
   D261       2.18755   0.00000  -0.00058  -0.00269  -0.00327   2.18428
   D262      -0.93393   0.00000  -0.00014  -0.00341  -0.00355  -0.93748
   D263       1.98640   0.00000  -0.00047  -0.00340  -0.00387   1.98253
   D264      -1.30603   0.00000  -0.00025  -0.00203  -0.00229  -1.30832
   D265       1.61430   0.00000  -0.00058  -0.00202  -0.00260   1.61169
   D266      -1.54507   0.00001  -0.00022  -0.00215  -0.00238  -1.54744
   D267       1.37526   0.00001  -0.00055  -0.00214  -0.00269   1.37257
   D268       1.97795   0.00001   0.00023  -0.00161  -0.00138   1.97657
   D269      -1.38491   0.00001  -0.00009  -0.00160  -0.00169  -1.38660
   D270       0.85697   0.00000   0.00025  -0.00127  -0.00103   0.85594
   D271      -2.50589   0.00000  -0.00008  -0.00127  -0.00134  -2.50723
   D272       0.95287  -0.00004  -0.00262  -0.00097  -0.00358   0.94928
   D273      -2.40999  -0.00004  -0.00294  -0.00096  -0.00390  -2.41389
   D274       1.12842   0.00001  -0.00148  -0.00194  -0.00342   1.12499
   D275      -2.23444   0.00000  -0.00181  -0.00193  -0.00374  -2.23818
   D276       1.58892   0.00000  -0.00107  -0.00253  -0.00360   1.58533
   D277      -1.77393   0.00000  -0.00139  -0.00252  -0.00391  -1.77785
   D278       1.57598   0.00000  -0.00057  -0.00145  -0.00202   1.57395
   D279      -1.78688   0.00000  -0.00090  -0.00145  -0.00234  -1.78922
   D280       0.81912  -0.00002  -0.00090  -0.00268  -0.00358   0.81554
   D281      -2.54373  -0.00002  -0.00122  -0.00267  -0.00390  -2.54763
   D282       0.79091  -0.00001  -0.00054  -0.00278  -0.00331   0.78759
   D283      -2.57195  -0.00002  -0.00086  -0.00277  -0.00363  -2.57558
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   D285      -2.63514  -0.00001  -0.00063   0.00383   0.00320  -2.63194
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   D287      -2.57325   0.00000  -0.00039   0.00398   0.00358  -2.56967
   D288       1.33338   0.00000  -0.00044   0.00147   0.00103   1.33441
   D289      -2.88246   0.00000  -0.00026   0.00333   0.00307  -2.87939
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   D291      -2.97219   0.00001  -0.00055   0.00507   0.00453  -2.96766
   D292       2.03917   0.00001  -0.00036   0.00232   0.00196   2.04114
   D293      -2.17666   0.00001  -0.00017   0.00418   0.00400  -2.17266
   D294       2.02192  -0.00001  -0.00008   0.00309   0.00301   2.02493
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   D300      -1.88075   0.00000  -0.00047   0.00208   0.00161  -1.87915
   D301       0.18660   0.00000  -0.00029   0.00393   0.00365   0.19024
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   D303       0.25178   0.00000  -0.00014   0.00336   0.00322   0.25499
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   D309      -2.69347   0.00001   0.00022   0.00546   0.00568  -2.68780
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   D311      -1.59323   0.00000   0.00017   0.00507   0.00524  -1.58799
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   D318       0.11769   0.00000  -0.00117   0.00274   0.00157   0.11925
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   D320       0.25296   0.00001  -0.00087   0.00377   0.00290   0.25586
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   D376       0.71034  -0.00001   0.00105   0.00133   0.00238   0.71272
   D377      -1.84626   0.00001   0.00358  -0.00991  -0.00632  -1.85258
   D378       1.05079  -0.00002   0.00127   0.00125   0.00252   1.05331
   D379      -1.50582  -0.00001   0.00381  -0.00998  -0.00617  -1.51199
   D380      -2.74055  -0.00002   0.00140   0.00024   0.00164  -2.73891
   D381       0.98603   0.00000   0.00394  -0.01100  -0.00706   0.97897
   D382      -2.18810  -0.00001   0.00103  -0.00042   0.00061  -2.18749
   D383       1.53848   0.00000   0.00357  -0.01165  -0.00809   1.53039
   D384      -1.95516  -0.00002   0.00116   0.00140   0.00255  -1.95261
   D385       1.77142   0.00000   0.00369  -0.00984  -0.00615   1.76527
   D386      -1.62698  -0.00001   0.00109   0.00198   0.00306  -1.62392
   D387       2.09960   0.00000   0.00362  -0.00926  -0.00564   2.09397
   D388      -1.67364  -0.00001   0.00022  -0.00172  -0.00152  -1.67515
   D389       2.05294   0.00000   0.00276  -0.01296  -0.01021   2.04273
   D390      -1.10497  -0.00002   0.00017   0.00117   0.00135  -1.10362
   D391       2.62161  -0.00001   0.00271  -0.01006  -0.00735   2.61426
   D392       1.80335  -0.00001   0.00100   0.00135   0.00234   1.80569
   D393      -0.75325   0.00000   0.00353  -0.00989  -0.00635  -0.75961
   D394       2.10342  -0.00001   0.00126   0.00147   0.00273   2.10615
   D395      -0.45318   0.00001   0.00379  -0.00977  -0.00597  -0.45915
   D396       2.05100   0.00000   0.00177   0.00195   0.00372   2.05471
   D397      -0.50561   0.00001   0.00430  -0.00928  -0.00498  -0.51059
   D398       2.25171   0.00000   0.00226   0.00325   0.00550   2.25721
   D399      -0.30489   0.00002   0.00479  -0.00799  -0.00320  -0.30809
   D400       2.50302   0.00000   0.00108   0.00163   0.00270   2.50571
   D401      -0.05359   0.00002   0.00361  -0.00961  -0.00600  -0.05959
   D402      -1.53722  -0.00002   0.00059   0.00365   0.00424  -1.53298
   D403       2.18936   0.00000   0.00312  -0.00758  -0.00446   2.18490
   D404      -2.63486  -0.00001   0.00068   0.00394   0.00461  -2.63025
   D405       1.09172   0.00001   0.00321  -0.00730  -0.00409   1.08763
   D406      -2.98403   0.00001   0.00057   0.00355   0.00412  -2.97991
   D407       0.74255   0.00002   0.00310  -0.00769  -0.00458   0.73797
   D408       1.92712  -0.00001   0.00058  -0.00332  -0.00274   1.92438
   D409       2.42343  -0.00001   0.00086  -0.00327  -0.00241   2.42102
   D410       2.65009  -0.00001   0.00095  -0.00268  -0.00174   2.64836
   D411       2.88007   0.00001   0.00073  -0.00100  -0.00027   2.87980
   D412       2.85327   0.00002   0.00136  -0.00360  -0.00224   2.85103
   D413      -2.93976  -0.00001   0.00187  -0.00214  -0.00026  -2.94002
   D414      -0.74779   0.00000   0.00075  -0.00177  -0.00102  -0.74881
   D415      -0.36689   0.00000   0.00070  -0.00203  -0.00133  -0.36821
   D416      -0.05666  -0.00001   0.00092  -0.00156  -0.00064  -0.05730
   D417       0.25205   0.00000   0.00091  -0.00163  -0.00072   0.25133
   D418      -0.23259   0.00000   0.00040  -0.00262  -0.00222  -0.23482
   D419       0.07896  -0.00002   0.00033  -0.00271  -0.00238   0.07658
   D420      -2.55820   0.00000   0.00086  -0.00156  -0.00070  -2.55890
   D421      -2.17595   0.00000   0.00086  -0.00179  -0.00093  -2.17688
   D422      -1.93390   0.00001   0.00120  -0.00120   0.00000  -1.93390
   D423      -1.62103   0.00002   0.00116  -0.00071   0.00045  -1.62058
   D424      -1.95999   0.00000   0.00041  -0.00219  -0.00178  -1.96177
   D425       1.30786   0.00000  -0.00002  -0.00001  -0.00003   1.30783
   D426       2.47116   0.00000   0.00027   0.00101   0.00128   2.47244
   D427       2.94610   0.00000   0.00026   0.00017   0.00041   2.94651
   D428      -3.07237  -0.00007   0.00033  -0.00083  -0.00050  -3.07287
   D429       0.03416  -0.00008   0.00105  -0.00157  -0.00052   0.03364
   D430       0.04001  -0.00004   0.00002  -0.00019  -0.00017   0.03985
   D431      -3.13664  -0.00005   0.00074  -0.00093  -0.00018  -3.13683
   D432      -0.08548   0.00002  -0.00084   0.00602   0.00518  -0.08030
   D433       2.01428   0.00000  -0.00067   0.00488   0.00421   2.01849
   D434      -2.18219   0.00000  -0.00071   0.00573   0.00501  -2.17717
   D435       3.08943   0.00003  -0.00152   0.00672   0.00520   3.09463
   D436      -1.09400   0.00000  -0.00135   0.00559   0.00423  -1.08977
   D437       0.99272   0.00001  -0.00139   0.00643   0.00504   0.99776
   D438      -2.37431   0.00002  -0.00002   0.00101   0.00099  -2.37332
   D439      -0.28450   0.00003   0.00000   0.00112   0.00112  -0.28338
   D440       1.82258   0.00002  -0.00009   0.00111   0.00102   1.82360
   D441       0.73395   0.00001   0.00067   0.00029   0.00096   0.73491
   D442       2.82376   0.00002   0.00068   0.00041   0.00109   2.82485
   D443      -1.35234   0.00001   0.00059   0.00040   0.00099  -1.35135
   D444       0.00124  -0.00003   0.00004  -0.00015  -0.00012   0.00112
   D445       3.11559  -0.00003   0.00004   0.00067   0.00070   3.11629
   D446      -3.11886  -0.00001  -0.00002   0.00011   0.00009  -3.11877
   D447      -0.00451  -0.00001  -0.00002   0.00093   0.00091  -0.00360
   D448       2.41937   0.00000  -0.00062   0.00120   0.00058   2.41995
   D449      -1.77966  -0.00001  -0.00060   0.00128   0.00068  -1.77898
   D450       0.32784   0.00000  -0.00067   0.00136   0.00069   0.32853
   D451      -0.69628   0.00000  -0.00063   0.00042  -0.00021  -0.69648
   D452       1.38788   0.00000  -0.00060   0.00049  -0.00011   1.38777
   D453      -2.78781   0.00000  -0.00067   0.00057  -0.00010  -2.78790
   D454       2.06171   0.00000  -0.00054  -0.00174  -0.00229   2.05942
   D455      -2.13683   0.00001  -0.00052  -0.00168  -0.00220  -2.13903
   D456      -0.04327   0.00000  -0.00055  -0.00183  -0.00238  -0.04565
   D457      -1.10577  -0.00001  -0.00054  -0.00096  -0.00151  -1.10728
   D458       0.97887   0.00000  -0.00052  -0.00090  -0.00142   0.97745
   D459       3.07243   0.00000  -0.00055  -0.00105  -0.00160   3.07083
   D460      -3.08659   0.00001  -0.00022   0.00042   0.00020  -3.08639
   D461      -0.02872   0.00000   0.00031   0.00037   0.00067  -0.02805
   D462       0.06802  -0.00001  -0.00027   0.00166   0.00139   0.06941
   D463       3.12589  -0.00002   0.00026   0.00160   0.00186   3.12775
   D464       1.94120   0.00000  -0.00005  -0.00508  -0.00513   1.93607
   D465      -2.25867  -0.00002   0.00008  -0.00497  -0.00490  -2.26356
   D466      -0.16596   0.00000  -0.00014  -0.00506  -0.00520  -0.17116
   D467      -1.12003   0.00001  -0.00055  -0.00500  -0.00555  -1.12558
   D468       0.96329  -0.00002  -0.00042  -0.00490  -0.00532   0.95797
   D469       3.05600   0.00001  -0.00064  -0.00498  -0.00562   3.05038
   D470      -1.64815   0.00001  -0.00001   0.00899   0.00898  -1.63916
   D471       0.45585   0.00001   0.00003   0.00910   0.00913   0.46498
   D472       2.54807   0.00002  -0.00005   0.00846   0.00842   2.55648
   D473       1.41346   0.00000   0.00049   0.00893   0.00942   1.42287
   D474      -2.76573   0.00000   0.00052   0.00903   0.00956  -2.75617
   D475      -0.67352   0.00001   0.00045   0.00839   0.00885  -0.66467
   D476       0.00863   0.00004   0.00078  -0.00021   0.00057   0.00920
   D477      -3.05013   0.00003   0.00169   0.00336   0.00505  -3.04508
   D478       3.12138   0.00001   0.00056  -0.00056   0.00001   3.12138
   D479       0.06262   0.00000   0.00147   0.00302   0.00449   0.06711
   D480      -0.31770   0.00007   0.00167   0.01164   0.01332  -0.30438
   D481       1.78909   0.00005   0.00196   0.01214   0.01410   1.80319
   D482      -2.40911   0.00000   0.00183   0.01149   0.01333  -2.39579
   D483       2.74523   0.00007   0.00082   0.00822   0.00906   2.75429
   D484      -1.43116   0.00005   0.00110   0.00873   0.00983  -1.42133
   D485       0.65382   0.00000   0.00098   0.00807   0.00906   0.66288
   D486      -0.08945   0.00004  -0.00048  -0.00026  -0.00073  -0.09018
   D487       2.00737  -0.00001  -0.00023  -0.00130  -0.00153   2.00584
   D488      -2.19220  -0.00001  -0.00044  -0.00087  -0.00131  -2.19352
   D489       3.13074   0.00003   0.00038   0.00310   0.00348   3.13421
   D490      -1.05563  -0.00002   0.00062   0.00206   0.00268  -1.05295
   D491       1.02798  -0.00001   0.00041   0.00248   0.00289   1.03088
         Item               Value     Threshold  Converged?
 Maximum Force            0.000476     0.000450     NO 
 RMS     Force            0.000025     0.000300     YES
 Maximum Displacement     0.022131     0.001800     NO 
 RMS     Displacement     0.002534     0.001200     NO 
 Predicted change in Energy=-4.814120D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:45:19 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.830761   -0.594057    1.670368
      2          6           0       -2.068945    1.116566   -1.364738
      3          8           0       -2.619492    0.137824   -1.898619
      4          7           0       -0.778156    1.159996   -0.935935
      5          1           0       -2.615577    2.059399   -1.162104
      6          6           0       -0.238074    2.328514   -0.241006
      7          1           0       -0.993529    3.126158   -0.217835
      8          1           0        0.038278    2.055597    0.790723
      9          1           0        0.660979    2.692942   -0.764537
     10          6           0        0.129785    0.023516   -1.107470
     11          1           0        0.696580   -0.130139   -0.176079
     12          1           0       -0.453684   -0.878582   -1.333338
     13          1           0        0.841059    0.218554   -1.927097
     14          6           0       -2.003699   -4.004694    2.612859
     15          8           0       -2.121993   -3.856571    3.841216
     16          7           0       -2.948129   -3.693633    1.683608
     17          1           0       -1.074195   -4.398130    2.155314
     18          6           0       -4.246645   -3.130056    2.061423
     19          1           0       -4.511749   -2.333558    1.347741
     20          1           0       -5.030266   -3.905498    2.032712
     21          1           0       -4.182104   -2.711364    3.074013
     22          6           0       -2.704761   -3.875262    0.252222
     23          1           0       -3.417102   -4.604904   -0.166647
     24          1           0       -2.838799   -2.914180   -0.271384
     25          1           0       -1.677935   -4.233613    0.094854
     26          6           0        1.548982    0.382747    2.616573
     27          8           0        1.371089    1.398195    3.310586
     28          7           0        1.174465   -0.881000    2.955872
     29          1           0        2.033043    0.427859    1.621120
     30          6           0        1.486534   -2.028694    2.103862
     31          1           0        2.235730   -2.675616    2.590496
     32          1           0        0.574592   -2.622389    1.930863
     33          1           0        1.876229   -1.675760    1.139306
     34          6           0        0.531192   -1.162057    4.241843
     35          1           0        1.278739   -1.464290    4.995109
     36          1           0        0.007598   -0.262019    4.588550
     37          1           0       -0.189269   -1.982175    4.109609
     38          6           0       -4.604838    1.101414    2.909594
     39          8           0       -4.855122    1.673123    1.834304
     40          7           0       -3.530517    1.352830    3.706374
     41          1           0       -5.246710    0.289287    3.306576
     42          6           0       -2.533567    2.371237    3.360897
     43          1           0       -2.621609    2.622628    2.295932
     44          1           0       -2.686027    3.277203    3.970175
     45          1           0       -1.527526    1.973246    3.563062
     46          6           0       -3.251766    0.548529    4.896294
     47          1           0       -4.066551   -0.170423    5.058229
     48          1           0       -2.303735    0.000277    4.761215
     49          1           0       -3.157270    1.201154    5.779195
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.492110   0.000000
     3  O    3.727655   1.243409   0.000000
     4  N    3.313230   1.360843   2.315624   0.000000
     5  H    3.959756   1.108514   2.057892   2.058202   0.000000
     6  C    3.838154   2.466512   3.635651   1.462890   2.563858
     7  H    4.255146   2.551542   3.794592   2.104244   2.158856
     8  H    3.359724   3.157242   4.239593   2.109504   3.294919
     9  H    4.789769   3.209000   4.310018   2.109599   3.360841
    10  C    3.455650   2.468877   2.863129   1.464707   3.418306
    11  H    3.164181   3.258115   3.746369   2.101589   4.091053
    12  H    3.316556   2.567229   2.458322   2.102145   3.651689
    13  H    4.554197   3.096901   3.461610   2.119098   3.990271
    14  C    3.542689   6.484816   6.155737   6.385133   7.169238
    15  O    3.929554   7.199782   7.010592   7.056416   7.763733
    16  N    3.294853   5.762238   5.255513   5.926930   6.426978
    17  H    3.908777   6.617565   6.276718   6.366806   7.421645
    18  C    3.524303   5.874926   5.385963   6.278464   6.323128
    19  H    3.212110   5.022767   4.497468   5.599983   5.403042
    20  H    4.618849   6.747830   6.133159   7.249312   7.184537
    21  H    3.461506   6.230650   5.940260   6.531001   6.569541
    22  C    3.679853   5.285562   4.553927   5.520630   6.101514
    23  H    4.688069   5.999013   5.111690   6.386698   6.785743
    24  H    3.188968   4.246765   3.465648   4.613761   5.057638
    25  H    3.968875   5.559470   4.895909   5.564454   6.485455
    26  C    3.643090   5.429431   6.150050   4.317406   5.867974
    27  O    4.112326   5.811351   6.681997   4.765389   6.027907
    28  N    3.281194   5.760004   6.244853   4.808799   6.322032
    29  H    3.996964   5.120153   5.841127   3.870064   5.658439
    30  C    3.640129   5.879224   6.129690   4.953476   6.648786
    31  H    4.660029   6.968123   7.186152   6.019231   7.748390
    32  H    3.157168   5.641724   5.699639   4.935068   6.454670
    33  H    3.897933   5.443502   5.720977   4.403850   6.278872
    34  C    3.537503   6.586849   7.022946   5.823719   7.034386
    35  H    4.634674   7.636456   8.080004   6.804041   8.092797
    36  H    3.464910   6.454004   7.010338   5.758426   6.733502
    37  H    3.251348   6.565353   6.819031   5.973068   7.071935
    38  C    3.479341   4.970000   5.290465   5.425405   4.631806
    39  O    3.783351   4.278599   4.614097   4.955721   3.760749
    40  N    3.290116   5.282820   5.807077   5.400343   5.003842
    41  H    3.889240   5.709970   5.832604   6.222942   5.479531
    42  C    3.484939   4.911385   5.714720   4.797013   4.534480
    43  H    3.371029   3.996769   4.875295   3.997821   3.503609
    44  H    4.583367   5.788820   6.656040   5.673839   5.275254
    45  H    3.203949   5.030929   5.864394   4.632915   4.849585
    46  C    3.705584   6.397050   6.836613   6.364552   6.276277
    47  H    4.081155   6.848450   7.112434   6.965167   6.765351
    48  H    3.182810   6.231255   6.668734   6.010812   6.278769
    49  H    4.675989   7.226852   7.769730   7.124243   7.015102
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098856   0.000000
     8  H    1.102415   1.796640   0.000000
     9  H    1.102355   1.795537   1.792428   0.000000
    10  C    2.489798   3.417553   2.782240   2.743283   0.000000
    11  H    2.631116   3.669016   2.479014   2.883979   1.101070
    12  H    3.394870   4.192102   3.655553   3.784414   1.097831
    13  H    2.908498   3.839460   3.377236   2.739812   1.102606
    14  C    7.167392   7.738367   6.649585   7.960254   5.883798
    15  O    7.646500   8.155233   6.994713   8.476674   6.679451
    16  N    6.878575   7.344760   6.539840   7.733525   5.575022
    17  H    7.189520   7.890073   6.689566   7.862547   5.625503
    18  C    7.153028   7.410667   6.845892   8.122692   6.256200
    19  H    6.520992   6.681122   6.346470   7.515619   5.755666
    20  H    8.185219   8.414534   7.922582   9.151735   7.205832
    21  H    7.207295   7.421586   6.763797   8.209533   6.599754
    22  C    6.694376   7.222822   6.556625   7.450054   5.008382
    23  H    7.627846   8.102200   7.564289   8.381334   5.906591
    24  H    5.852396   6.316136   5.839891   6.628081   4.259294
    25  H    6.726628   7.398136   6.556202   7.361130   4.778764
    26  C    3.891701   4.693030   2.900756   4.190162   4.001458
    27  O    4.008579   4.585524   2.925453   4.334426   4.790594
    28  N    4.745132   5.552470   3.821307   5.184416   4.291882
    29  H    3.498282   4.452270   2.705213   3.564340   3.351282
    30  C    5.240033   6.173612   4.528047   5.585973   4.045366
    31  H    6.259267   7.209397   5.518365   6.523610   5.039372
    32  H    5.467073   6.334169   4.844698   5.960317   4.053410
    33  H    4.733894   5.756367   4.174039   4.918029   3.314454
    34  C    5.733393   6.371992   4.744101   6.319944   5.493802
    35  H    6.641008   7.308228   5.621851   7.130058   6.385541
    36  H    5.485967   5.965177   4.449245   6.149328   5.704481
    37  H    6.124727   6.743046   5.231672   6.807124   5.598438
    38  C    5.522743   5.188637   5.192168   6.615211   6.302009
    39  O    5.104271   4.608089   5.018038   6.182343   6.018682
    40  N    5.232012   4.998041   4.661673   6.273243   6.191767
    41  H    6.467629   6.209578   6.113956   7.566525   6.961403
    42  C    4.271396   3.968494   3.649632   5.227602   5.707148
    43  H    3.493394   3.036974   3.108404   4.488518   5.090058
    44  H    4.962513   4.519601   4.361545   5.827633   6.655656
    45  H    4.032349   3.988676   3.185026   4.902614   5.325598
    46  C    6.216312   6.156145   5.472783   7.207848   6.910550
    47  H    6.998844   6.938859   6.325851   8.028262   7.460743
    48  H    5.891508   6.023181   5.047195   6.824508   6.353269
    49  H    6.784945   6.659713   5.985520   7.721715   7.721251
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795139   0.000000
    13  H    1.791235   1.797948   0.000000
    14  C    5.484694   5.267599   6.821999   0.000000
    15  O    6.161925   6.199007   7.658965   1.242898   0.000000
    16  N    5.425941   4.821694   6.534550   1.360961   2.316101
    17  H    5.175595   4.994291   6.453529   1.108205   2.057531
    18  C    6.200113   5.565976   7.280536   2.469794   2.865246
    19  H    5.856943   5.076714   6.774245   3.268568   3.774642
    20  H    7.206168   6.437205   8.195141   3.083263   3.425074
    21  H    6.405262   6.056810   7.669921   2.575037   2.478741
    22  C    5.077255   4.069575   5.837945   2.465938   3.636048
    23  H    6.078321   4.901886   6.670597   3.175470   4.277882
    24  H    4.500986   3.310616   5.108499   3.194601   4.279649
    25  H    4.748708   3.846395   5.500491   2.549289   3.791382
    26  C    2.964549   4.604717   4.601418   5.645458   5.740002
    27  O    3.866213   5.484482   5.394980   6.408372   6.332121
    28  N    3.255961   4.587832   5.016329   4.469435   4.528189
    29  H    2.308121   4.076693   3.748930   6.076707   6.367848
    30  C    3.070288   4.111149   4.659977   4.042942   4.402385
    31  H    4.062311   5.085150   5.543461   4.442940   4.684945
    32  H    3.265792   3.840993   4.798522   3.003910   3.527637
    33  H    2.347500   3.489693   3.750043   4.759111   5.295473
    34  C    4.539851   5.668596   6.329133   4.142445   3.802670
    35  H    5.372156   6.587381   7.137259   4.785726   4.315027
    36  H    4.815992   5.971741   6.586293   4.685754   4.244345
    37  H    4.752041   5.559992   6.507427   3.102096   2.705701
    38  C    6.256448   6.257391   7.336949   5.738146   5.622638
    39  O    6.173718   5.993147   6.979283   6.401123   6.486540
    40  N    5.927984   6.312274   7.220336   5.677149   5.398147
    41  H    6.901269   6.772431   8.028528   5.425554   5.218988
    42  C    5.403789   6.076437   6.632121   6.441492   6.259847
    43  H    4.969804   5.489077   5.966876   6.663607   6.679636
    44  H    6.343772   7.097968   7.521535   7.438676   7.157199
    45  H    4.832397   5.767217   6.231451   6.071688   5.866646
    46  C    6.463667   6.976691   7.963589   5.244386   4.668456
    47  H    7.077219   7.376071   8.545801   4.993679   4.341672
    48  H    5.778908   6.429515   7.393977   4.554696   3.969220
    49  H    7.217326   7.888143   8.737223   6.201392   5.514358
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056806   0.000000
    18  C    1.465096   3.417787   0.000000
    19  H    2.099409   4.090405   1.101831   0.000000
    20  H    2.121804   3.988510   1.102812   1.791380   0.000000
    21  H    2.102564   3.653531   1.097637   1.797614   1.797120
    22  C    1.463244   2.560058   2.491174   2.615764   2.928998
    23  H    2.115134   3.305067   2.797787   2.941197   2.815786
    24  H    2.107485   3.347357   2.733244   2.399469   3.330780
    25  H    2.104545   2.153384   3.418114   3.634617   3.886010
    26  C    6.140953   5.472714   6.799799   6.761708   7.875051
    27  O    6.872366   6.396206   7.322869   7.237854   8.410675
    28  N    5.150276   4.250597   5.936895   6.085149   6.964086
    29  H    6.465499   5.764587   7.230983   7.108760   8.296850
    30  C    4.755509   3.489155   5.838162   6.053433   6.782044
    31  H    5.360149   3.756600   6.519787   6.869492   7.390428
    32  H    3.690293   2.433544   4.849650   5.127799   5.750754
    33  H    5.257614   4.141083   6.360414   6.425139   7.312289
    34  C    5.005909   4.171695   5.608474   5.931231   6.583049
    35  H    5.813986   4.712553   6.473884   6.898455   7.385041
    36  H    5.380612   4.919180   5.719317   5.934527   6.722151
    37  H    4.052885   3.230976   4.687750   5.141519   5.607844
    38  C    5.219215   6.578706   4.330478   3.774531   5.100890
    39  O    5.697491   7.159509   4.846891   4.050696   5.584894
    40  N    5.467865   6.443047   4.828558   4.485022   5.718426
    41  H    4.876592   6.380217   3.773916   3.355073   4.389282
    42  C    6.306173   7.029049   5.906564   5.486447   6.884401
    43  H    6.354267   7.190640   5.982400   5.388457   6.963284
    44  H    7.340957   8.049998   6.865263   6.456861   7.800026
    45  H    6.137099   6.540772   5.974297   5.688743   7.012188
    46  C    5.330055   6.060051   4.749554   4.741962   5.585831
    47  H    5.005191   5.937560   4.215769   4.317994   4.902374
    48  H    4.850968   5.258182   4.567578   4.687635   5.489424
    49  H    6.385649   6.987396   5.811020   5.828086   6.604705
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391121   0.000000
    23  H    3.830483   1.102387   0.000000
    24  H    3.610718   1.102637   1.789958   0.000000
    25  H    4.178934   1.098887   1.797481   1.795171   0.000000
    26  C    6.529021   6.466462   7.568682   6.201826   6.171129
    27  O    6.912481   7.333178   8.429420   7.010724   7.166222
    28  N    5.661892   5.596760   6.685811   5.536722   5.249917
    29  H    7.112923   6.545039   7.630786   6.203680   6.150624
    30  C    5.791432   4.940176   5.986460   5.013420   4.348752
    31  H    6.436122   5.595992   6.578639   5.830791   4.896158
    32  H    4.892941   3.891232   4.925803   4.072625   3.322778
    33  H    6.443521   5.158507   6.189083   5.074960   4.501730
    34  C    5.096994   5.809471   6.846678   5.898814   5.613575
    35  H    5.921707   6.646506   7.652327   6.840487   6.357954
    36  H    5.083967   6.262280   7.293909   6.225343   6.229597
    37  H    4.188903   4.979048   5.965231   5.204013   4.837702
    38  C    3.839663   5.953086   6.590603   5.418719   6.704628
    39  O    4.605818   6.157241   6.744281   5.435332   6.928906
    40  N    4.164387   6.320284   7.106880   5.874386   6.905323
    41  H    3.192394   5.756218   6.274061   5.372340   6.596055
    42  C    5.350963   6.979393   7.867067   6.420457   7.417762
    43  H    5.611775   6.812212   7.676869   6.106924   7.262459
    44  H    6.237330   8.061097   8.931706   7.506490   8.511564
    45  H    5.406619   6.822946   7.794439   6.348965   7.111694
    46  C    3.848784   6.437122   7.226242   6.234243   6.956985
    47  H    3.225964   6.219164   6.883729   6.118852   6.844712
    48  H    3.705121   5.959165   6.836015   5.840156   6.331855
    49  H    4.865808   7.518124   8.314497   7.324405   8.002303
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242753   0.000000
    28  N    1.361044   2.314997   0.000000
    29  H    1.107826   2.057676   2.057142   0.000000
    30  C    2.466135   3.634980   1.463049   2.562493   0.000000
    31  H    3.134626   4.226354   2.116703   3.257657   1.103003
    32  H    3.232719   4.324713   2.107825   3.395149   1.101834
    33  H    2.554772   3.797213   2.103338   2.163782   1.098541
    34  C    2.462481   2.850887   1.465098   3.413441   2.496938
    35  H    3.023575   3.322645   2.123579   3.941193   2.953141
    36  H    2.584623   2.499722   2.100084   3.658415   3.388520
    37  H    3.292951   3.807894   2.098444   4.115764   2.614097
    38  C    6.202567   5.996714   6.110028   6.795242   6.895766
    39  O    6.579480   6.404741   6.643597   7.003067   7.347973
    40  N    5.284888   4.917769   5.262139   6.013074   6.258878
    41  H    6.831271   6.710064   6.536364   7.473605   7.221920
    42  C    4.601664   4.024386   4.948796   5.259037   6.091038
    43  H    4.744861   4.297721   5.207793   5.190200   6.208746
    44  H    5.305225   4.519504   5.763927   5.992198   7.003280
    45  H    3.590325   2.965873   3.976953   4.340163   5.218175
    46  C    5.317122   4.960564   5.039871   6.218563   6.073816
    47  H    6.148324   5.923069   5.691491   7.026856   6.558827
    48  H    4.425969   4.190803   4.016688   5.371282   5.054146
    49  H    5.728942   5.161288   5.574087   6.695291   6.745733
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788107   0.000000
    33  H    1.798584   1.793579   0.000000
    34  C    2.814828   2.734060   3.420344   0.000000
    35  H    2.857500   3.350615   3.907548   1.103441   0.000000
    36  H    3.844768   3.599462   4.169860   1.097463   1.796259
    37  H    2.944348   2.395891   3.630823   1.099611   1.790912
    38  C    7.820559   6.453768   7.269859   5.768622   6.748977
    39  O    8.352457   6.924056   7.550439   6.545752   7.580126
    40  N    7.122020   5.983873   6.707839   4.807169   5.720661
    41  H    8.080243   6.652669   7.700307   6.030363   6.964745
    42  C    6.986446   6.053260   6.384352   4.759515   5.649389
    43  H    7.193879   6.152982   6.328070   5.296279   6.261084
    44  H    7.846225   7.042415   7.304782   5.489201   6.265111
    45  H    6.059695   5.310635   5.547557   3.811718   4.662890
    46  C    6.769374   5.787013   6.734891   4.202997   4.958496
    47  H    7.216955   6.110054   7.276031   4.773790   5.500019
    48  H    5.699050   4.813942   5.779224   3.107665   3.877342
    49  H    7.367604   6.584522   7.425720   4.642518   5.234268
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796407   0.000000
    38  C    5.094351   5.517772   0.000000
    39  O    5.914110   6.348890   1.243279   0.000000
    40  N    3.988012   4.738017   1.360967   2.315558   0.000000
    41  H    5.436465   5.601974   1.108668   2.058137   2.058223
    42  C    3.859882   5.000850   2.471090   2.864869   1.466430
    43  H    4.526590   5.514519   2.573688   2.470474   2.104245
    44  H    4.490445   5.823598   3.088806   3.440929   2.118010
    45  H    2.899077   4.211295   3.264500   3.761858   2.101768
    46  C    3.372706   4.049965   2.466467   3.634728   1.463049
    47  H    4.102156   4.383565   2.554203   3.796604   2.105979
    48  H    2.332568   2.970803   3.152155   4.227860   2.108812
    49  H    3.684413   4.661559   3.215588   4.320605   2.111613
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420324   0.000000
    43  H    3.654728   1.097771   0.000000
    44  H    3.990627   1.102378   1.798808   0.000000
    45  H    4.090701   1.100629   1.795643   1.791136   0.000000
    46  C    2.564022   2.489080   3.385390   2.936566   2.603907
    47  H    2.161573   3.419212   4.185603   3.869862   3.643829
    48  H    3.295544   2.763180   3.613225   3.392659   2.435299
    49  H    3.363199   2.757946   3.800085   2.793672   2.857173
                   46         47         48         49
    46  C    0.000000
    47  H    1.098631   0.000000
    48  H    1.103444   1.795794   0.000000
    49  H    1.101982   1.796610   1.790785   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2145564      0.1945058      0.1849555
 Leave Link  202 at Mon Nov 14 03:45:19 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.5777637540 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843566302 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.3934071239 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4033
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.10D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     221
 GePol: Fraction of low-weight points (<1% of avg)   =       5.48%
 GePol: Cavity surface area                          =    467.331 Ang**2
 GePol: Cavity volume                                =    458.160 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039856196 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.3894215043 Hartrees.
 Leave Link  301 at Mon Nov 14 03:45:20 2016, MaxMem=  2952790016 cpu:         1.9
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11986 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:45:21 2016, MaxMem=  2952790016 cpu:        15.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:45:21 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000724   -0.000437   -0.000931
         Rot=    1.000000    0.000082   -0.000029    0.000086 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50880792177    
 Leave Link  401 at Mon Nov 14 03:45:28 2016, MaxMem=  2952790016 cpu:        81.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48795267.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.13D-14 for   3665.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.87D-15 for   2179   1669.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.33D-15 for    612.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.23D-08 for   2460   2457.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.33D-15 for    197.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.35D-14 for   2318    122.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   2884.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.22D-15 for   1946    670.
 E= -1013.45130543749    
 DIIS: error= 2.15D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45130543749     IErMin= 1 ErrMin= 2.15D-04
 ErrMax= 2.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.22D-05 BMatP= 5.22D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.15D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.23D-05 MaxDP=1.16D-03              OVMax= 2.05D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.23D-05    CP:  1.00D+00
 E= -1013.45139858731     Delta-E=       -0.000093149820 Rises=F Damp=F
 DIIS: error= 4.42D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45139858731     IErMin= 2 ErrMin= 4.42D-05
 ErrMax= 4.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-06 BMatP= 5.22D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.268D-01 0.973D+00
 Coeff:      0.268D-01 0.973D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.22D-06 MaxDP=4.62D-04 DE=-9.31D-05 OVMax= 9.61D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.01D-06    CP:  1.00D+00  9.54D-01
 E= -1013.45139440384     Delta-E=        0.000004183468 Rises=F Damp=F
 DIIS: error= 1.16D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45139858731     IErMin= 2 ErrMin= 4.42D-05
 ErrMax= 1.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.10D-06 BMatP= 1.15D-06
 IDIUse=3 WtCom= 4.81D-01 WtEn= 5.19D-01
 Coeff-Com:  0.304D-02 0.708D+00 0.289D+00
 Coeff-En:   0.000D+00 0.789D+00 0.211D+00
 Coeff:      0.147D-02 0.750D+00 0.248D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.82D-06 MaxDP=3.58D-04 DE= 4.18D-06 OVMax= 7.38D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.46D-06    CP:  1.00D+00  9.70D-01  4.20D-01
 E= -1013.45139954115     Delta-E=       -0.000005137308 Rises=F Damp=F
 DIIS: error= 7.39D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45139954115     IErMin= 4 ErrMin= 7.39D-06
 ErrMax= 7.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.90D-08 BMatP= 1.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.367D-04 0.280D+00 0.832D-01 0.637D+00
 Coeff:     -0.367D-04 0.280D+00 0.832D-01 0.637D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.18D-06 MaxDP=6.57D-05 DE=-5.14D-06 OVMax= 3.57D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.42D-07    CP:  1.00D+00  9.76D-01  3.55D-01  6.97D-01
 E= -1013.45139959132     Delta-E=       -0.000000050179 Rises=F Damp=F
 DIIS: error= 4.63D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45139959132     IErMin= 5 ErrMin= 4.63D-06
 ErrMax= 4.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-08 BMatP= 6.90D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-04 0.152D+00 0.422D-01 0.412D+00 0.394D+00
 Coeff:     -0.182D-04 0.152D+00 0.422D-01 0.412D+00 0.394D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.18D-07 MaxDP=1.82D-05 DE=-5.02D-08 OVMax= 2.00D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.43D-07    CP:  1.00D+00  9.77D-01  3.50D-01  7.01D-01  6.90D-01
 E= -1013.45139960456     Delta-E=       -0.000000013240 Rises=F Damp=F
 DIIS: error= 4.94D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45139960456     IErMin= 6 ErrMin= 4.94D-07
 ErrMax= 4.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-10 BMatP= 1.59D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-04 0.559D-01 0.152D-01 0.159D+00 0.187D+00 0.583D+00
 Coeff:     -0.139D-04 0.559D-01 0.152D-01 0.159D+00 0.187D+00 0.583D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.59D-08 MaxDP=2.87D-06 DE=-1.32D-08 OVMax= 3.07D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.94D-08    CP:  1.00D+00  9.77D-01  3.51D-01  7.05D-01  6.91D-01
                    CP:  9.01D-01
 E= -1013.45139960467     Delta-E=       -0.000000000101 Rises=F Damp=F
 DIIS: error= 2.00D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45139960467     IErMin= 7 ErrMin= 2.00D-07
 ErrMax= 2.00D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.87D-11 BMatP= 2.76D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-04 0.128D-01 0.341D-02 0.394D-01 0.568D-01 0.334D+00
 Coeff-Com:  0.554D+00
 Coeff:     -0.109D-04 0.128D-01 0.341D-02 0.394D-01 0.568D-01 0.334D+00
 Coeff:      0.554D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.97D-08 MaxDP=1.27D-06 DE=-1.01D-10 OVMax= 1.04D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.51D-08    CP:  1.00D+00  9.77D-01  3.51D-01  7.05D-01  6.91D-01
                    CP:  9.02D-01  7.52D-01
 E= -1013.45139960484     Delta-E=       -0.000000000172 Rises=F Damp=F
 DIIS: error= 2.31D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45139960484     IErMin= 8 ErrMin= 2.31D-08
 ErrMax= 2.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.61D-13 BMatP= 4.87D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.325D-05 0.114D-02 0.324D-03 0.426D-02 0.856D-02 0.796D-01
 Coeff-Com:  0.191D+00 0.716D+00
 Coeff:     -0.325D-05 0.114D-02 0.324D-03 0.426D-02 0.856D-02 0.796D-01
 Coeff:      0.191D+00 0.716D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.68D-09 MaxDP=3.02D-07 DE=-1.72D-10 OVMax= 3.92D-07

 Error on total polarization charges =  0.04320
 SCF Done:  E(RB97D) =  -1013.45139960     A.U. after    8 cycles
            NFock=  8  Conv=0.57D-08     -V/T= 2.0213
 KE= 9.923494850964D+02 PE=-6.030336071628D+03 EE= 2.175145765423D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:47:11 2016, MaxMem=  2952790016 cpu:      1179.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11986 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 03:47:19 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:47:20 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:47:57 2016, MaxMem=  2952790016 cpu:       442.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24242362D+00-2.53974031D+00 3.32445369D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000433862    0.000308734   -0.000090685
      2        6          -0.000049483    0.000001612    0.000055668
      3        8           0.000007983    0.000083917   -0.000035378
      4        7          -0.000146131   -0.000083542   -0.000202797
      5        1           0.000034263    0.000007765    0.000070184
      6        6           0.000142839    0.000096242    0.000357022
      7        1           0.000006184    0.000020690    0.000046996
      8        1          -0.000036672    0.000096381   -0.000237394
      9        1          -0.000010410   -0.000044665    0.000037578
     10        6           0.000184881   -0.000091519    0.000003998
     11        1          -0.000020399    0.000175455    0.000068174
     12        1          -0.000008155    0.000048106   -0.000024720
     13        1           0.000015687    0.000043023    0.000039763
     14        6          -0.000017235   -0.000029438   -0.000032309
     15        8          -0.000015061    0.000020654   -0.000039443
     16        7          -0.000010969   -0.000030608   -0.000072210
     17        1          -0.000002139   -0.000006990   -0.000038862
     18        6           0.000026253    0.000028552   -0.000029076
     19        1           0.000038214   -0.000098062    0.000016027
     20        1           0.000003160   -0.000012595   -0.000063658
     21        1           0.000000594   -0.000036032   -0.000052919
     22        6           0.000022253    0.000045201   -0.000061810
     23        1           0.000031020    0.000016429   -0.000056005
     24        1           0.000011702   -0.000077192    0.000039523
     25        1           0.000029906    0.000014871   -0.000027248
     26        6          -0.000159283   -0.000086282    0.000033797
     27        8           0.000041300   -0.000049763    0.000020020
     28        7          -0.000044834    0.000141689   -0.000003314
     29        1           0.000049553   -0.000000484    0.000044281
     30        6           0.000021570    0.000032400   -0.000056224
     31        1          -0.000019287   -0.000023259    0.000013759
     32        1          -0.000105384   -0.000071377   -0.000002862
     33        1           0.000048735   -0.000001959    0.000030331
     34        6          -0.000058380    0.000028555    0.000044205
     35        1          -0.000012201   -0.000017195    0.000003868
     36        1           0.000013102   -0.000054813    0.000041195
     37        1          -0.000017149    0.000001611    0.000009617
     38        6          -0.000140023    0.000035731   -0.000369306
     39        8           0.000073645   -0.000105239    0.000331948
     40        7           0.000202777    0.000039923   -0.000098529
     41        1           0.000011067   -0.000008918    0.000006169
     42        6          -0.000660071   -0.000495917    0.000198418
     43        1          -0.000002853    0.000171119    0.000075903
     44        1           0.000315249    0.000240785   -0.000178060
     45        1           0.000001747   -0.000042192    0.000131179
     46        6          -0.000067869   -0.000017097    0.000187561
     47        1          -0.000006657   -0.000059156   -0.000029465
     48        1          -0.000131100   -0.000085932   -0.000077864
     49        1          -0.000025802   -0.000069217   -0.000027043
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000660071 RMS     0.000123318
 Leave Link  716 at Mon Nov 14 03:47:57 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000349712 RMS     0.000022251
 Search for a local minimum.
 Step number  80 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .22251D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   46   56   60   61   62
                                                     63   64   65   66   67
                                                     68   69   70   71   72
                                                     73   74   75   76   77
                                                     78   79   80
 DE= -4.28D-06 DEPred=-4.81D-06 R= 8.90D-01
 TightC=F SS=  1.41D+00  RLast= 7.63D-02 DXNew= 4.2711D-01 2.2890D-01
 Trust test= 8.90D-01 RLast= 7.63D-02 DXMaxT set to 2.54D-01
 ITU=  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1
 ITU=  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00013   0.00060   0.00104   0.00108   0.00145
     Eigenvalues ---    0.00185   0.00198   0.00216   0.00285   0.00392
     Eigenvalues ---    0.00418   0.00438   0.00586   0.00661   0.00714
     Eigenvalues ---    0.00730   0.00840   0.00849   0.00961   0.01013
     Eigenvalues ---    0.01080   0.01127   0.01173   0.01233   0.01286
     Eigenvalues ---    0.01310   0.01477   0.01515   0.01558   0.01630
     Eigenvalues ---    0.01661   0.01734   0.01794   0.01838   0.01903
     Eigenvalues ---    0.01923   0.01996   0.02094   0.02142   0.02191
     Eigenvalues ---    0.02299   0.02365   0.02597   0.02676   0.02952
     Eigenvalues ---    0.03097   0.03375   0.03851   0.04198   0.04312
     Eigenvalues ---    0.04480   0.05193   0.05432   0.05660   0.05985
     Eigenvalues ---    0.06207   0.06275   0.06356   0.06588   0.06736
     Eigenvalues ---    0.07064   0.07280   0.07472   0.07692   0.08020
     Eigenvalues ---    0.08064   0.08157   0.08175   0.08345   0.08517
     Eigenvalues ---    0.08631   0.08762   0.09011   0.09022   0.09325
     Eigenvalues ---    0.09586   0.09761   0.09912   0.09989   0.10122
     Eigenvalues ---    0.10373   0.10455   0.10564   0.10818   0.11114
     Eigenvalues ---    0.11268   0.11328   0.11383   0.11840   0.13316
     Eigenvalues ---    0.13426   0.14295   0.14770   0.15214   0.15408
     Eigenvalues ---    0.15547   0.16353   0.21241   0.22424   0.22855
     Eigenvalues ---    0.23635   0.24529   0.24711   0.26004   0.26482
     Eigenvalues ---    0.26959   0.27440   0.28307   0.29246   0.29755
     Eigenvalues ---    0.29837   0.31881   0.32775   0.32818   0.32827
     Eigenvalues ---    0.32907   0.33300   0.33354   0.33374   0.33382
     Eigenvalues ---    0.33403   0.33425   0.33494   0.33639   0.33693
     Eigenvalues ---    0.33794   0.33819   0.33837   0.33923   0.33966
     Eigenvalues ---    0.34093   0.34217   0.34283   0.37256   0.38914
     Eigenvalues ---    0.40325   0.40736   0.85932   0.86134   0.86427
     Eigenvalues ---    0.91690
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    80   79   78   77   76
 RFO step:  Lambda=-1.02180746D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.46D-06 SmlDif=  1.00D-05
 RMS Error=  0.9411060251D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    0.82389    0.61999   -0.19476   -0.23284   -0.01629
 Iteration  1 RMS(Cart)=  0.00169474 RMS(Int)=  0.00005357
 Iteration  2 RMS(Cart)=  0.00000330 RMS(Int)=  0.00000603
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000603
 ITry= 1 IFail=0 DXMaxC= 1.34D-02 DCOld= 1.00D+10 DXMaxT= 2.54D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59913   0.00002  -0.00019  -0.00009  -0.00028   6.59885
    R2        6.26110  -0.00001  -0.00107  -0.00177  -0.00284   6.25825
    R3        7.25306  -0.00004   0.00139   0.00342   0.00480   7.25786
    R4        6.34896   0.00004   0.00244   0.00700   0.00943   6.35839
    R5        6.53023   0.00006  -0.00190  -0.00283  -0.00472   6.52551
    R6        5.97944  -0.00002  -0.00081  -0.00599  -0.00680   5.97264
    R7        6.69471  -0.00001  -0.00090  -0.00085  -0.00175   6.69296
    R8        6.22637   0.00002  -0.00045   0.00094   0.00050   6.22687
    R9        6.65997   0.00001  -0.00034   0.00078   0.00044   6.66041
   R10        6.07001   0.00001  -0.00151  -0.00407  -0.00558   6.06443
   R11        6.95392   0.00002  -0.00036   0.00067   0.00031   6.95422
   R12        6.02628   0.00002   0.00025   0.00110   0.00135   6.02762
   R13        6.88444  -0.00002  -0.00110  -0.00090  -0.00201   6.88244
   R14        6.20056  -0.00002   0.00078   0.00017   0.00094   6.20150
   R15        6.87885  -0.00002   0.00111  -0.00080   0.00030   6.87915
   R16        5.96618  -0.00003   0.00024  -0.00137  -0.00113   5.96505
   R17        6.68491   0.00000   0.00038   0.00036   0.00074   6.68565
   R18        6.57500   0.00000  -0.00004  -0.00088  -0.00092   6.57408
   R19        6.21742  -0.00001   0.00059  -0.00024   0.00036   6.21778
   R20        6.58558   0.00004  -0.00214   0.00083  -0.00133   6.58425
   R21        6.05459   0.00003  -0.00267  -0.00179  -0.00448   6.05011
   R22        7.00254   0.00000   0.00072  -0.00201  -0.00128   7.00126
   R23        6.01464  -0.00005   0.00029  -0.00231  -0.00202   6.01262
   R24        2.34970  -0.00002  -0.00005   0.00006   0.00001   2.34971
   R25        2.57162  -0.00002  -0.00001   0.00014   0.00013   2.57175
   R26        2.09479  -0.00002   0.00002  -0.00008  -0.00006   2.09473
   R27        2.76446   0.00013  -0.00011   0.00080   0.00069   2.76516
   R28        2.76790   0.00006  -0.00004   0.00032   0.00028   2.76818
   R29        2.07654   0.00000   0.00001  -0.00008  -0.00007   2.07647
   R30        2.08326  -0.00020  -0.00028   0.00007  -0.00021   2.08306
   R31        2.08315  -0.00004   0.00000   0.00000   0.00000   2.08315
   R32        2.08072   0.00000   0.00005   0.00023   0.00028   2.08100
   R33        2.07460   0.00001   0.00001   0.00000   0.00001   2.07461
   R34        2.08362  -0.00002   0.00001  -0.00001   0.00000   2.08362
   R35        2.34874   0.00000   0.00000   0.00002   0.00002   2.34876
   R36        2.57184  -0.00001  -0.00004   0.00015   0.00011   2.57195
   R37        2.09420  -0.00001  -0.00001  -0.00003  -0.00004   2.09416
   R38        2.76863  -0.00002   0.00000   0.00001   0.00001   2.76864
   R39        2.76513  -0.00001  -0.00005   0.00018   0.00012   2.76525
   R40        2.08216  -0.00006  -0.00005   0.00009   0.00005   2.08221
   R41        2.08401   0.00000  -0.00001   0.00000  -0.00001   2.08400
   R42        2.07423  -0.00002   0.00001  -0.00007  -0.00007   2.07417
   R43        2.08321   0.00000  -0.00001   0.00000   0.00000   2.08321
   R44        2.08368  -0.00005   0.00007  -0.00017  -0.00009   2.08359
   R45        2.07660   0.00001   0.00001   0.00001   0.00002   2.07661
   R46        2.34846  -0.00005   0.00002  -0.00003  -0.00001   2.34845
   R47        2.57200  -0.00009  -0.00001  -0.00009  -0.00010   2.57191
   R48        2.09349   0.00001  -0.00002   0.00000  -0.00002   2.09347
   R49        2.76476   0.00005  -0.00011   0.00004  -0.00006   2.76470
   R50        2.76863   0.00003  -0.00007   0.00004  -0.00003   2.76861
   R51        2.08437   0.00001   0.00001   0.00000   0.00000   2.08438
   R52        2.08217   0.00005   0.00003  -0.00003   0.00002   2.08218
   R53        2.07594  -0.00001   0.00003   0.00002   0.00005   2.07599
   R54        2.08520   0.00000   0.00002  -0.00001   0.00001   2.08521
   R55        2.07390  -0.00003   0.00000  -0.00007  -0.00006   2.07384
   R56        2.07796  -0.00001   0.00001  -0.00001   0.00001   2.07797
   R57        2.34946  -0.00035   0.00020  -0.00039  -0.00019   2.34926
   R58        2.57186   0.00002   0.00003   0.00031   0.00035   2.57221
   R59        2.09508  -0.00002  -0.00001  -0.00002  -0.00003   2.09505
   R60        2.77115  -0.00009  -0.00003   0.00008   0.00005   2.77120
   R61        2.76476   0.00006  -0.00001  -0.00031  -0.00032   2.76444
   R62        2.07449  -0.00001   0.00002  -0.00001   0.00001   2.07450
   R63        2.08319   0.00006  -0.00003  -0.00001  -0.00004   2.08315
   R64        2.07989   0.00006  -0.00006   0.00021   0.00016   2.08005
   R65        2.07611   0.00000   0.00000  -0.00002  -0.00002   2.07609
   R66        2.08521  -0.00005   0.00017   0.00011   0.00029   2.08550
   R67        2.08244  -0.00004   0.00006   0.00002   0.00008   2.08252
    A1        0.68009   0.00002  -0.00010  -0.00004  -0.00014   0.67995
    A2        0.95705  -0.00001  -0.00019   0.00003  -0.00016   0.95689
    A3        0.72650   0.00002   0.00008   0.00029   0.00037   0.72687
    A4        1.01864   0.00000   0.00019   0.00045   0.00064   1.01928
    A5        2.34548   0.00000   0.00029   0.00019   0.00048   2.34596
    A6        2.02771  -0.00001   0.00034  -0.00012   0.00021   2.02793
    A7        1.98468   0.00000   0.00034  -0.00049  -0.00015   1.98453
    A8        1.69215   0.00000   0.00043  -0.00022   0.00021   1.69236
    A9        1.65654   0.00000   0.00029   0.00004   0.00033   1.65688
   A10        1.37517   0.00001   0.00028   0.00007   0.00035   1.37552
   A11        1.72913   0.00002  -0.00024   0.00039   0.00015   1.72927
   A12        2.03288   0.00001   0.00000   0.00082   0.00082   2.03370
   A13        1.93769   0.00001   0.00032   0.00132   0.00164   1.93933
   A14        2.02460   0.00001   0.00034   0.00159   0.00193   2.02652
   A15        2.42795   0.00001  -0.00018   0.00048   0.00030   2.42825
   A16        1.58727  -0.00001   0.00082  -0.00086  -0.00004   1.58723
   A17        1.78517  -0.00001   0.00049  -0.00011   0.00038   1.78555
   A18        1.56184   0.00000   0.00002   0.00066   0.00068   1.56252
   A19        1.69851   0.00001  -0.00014   0.00093   0.00078   1.69930
   A20        2.18883   0.00000   0.00040   0.00004   0.00045   2.18928
   A21        2.40746   0.00000   0.00016   0.00046   0.00062   2.40808
   A22        0.64314   0.00000  -0.00004  -0.00024  -0.00029   0.64286
   A23        0.65931  -0.00001   0.00018   0.00042   0.00060   0.65991
   A24        2.39567  -0.00001   0.00008   0.00027   0.00036   2.39602
   A25        2.22551  -0.00002   0.00025  -0.00011   0.00014   2.22565
   A26        2.32679  -0.00001   0.00033  -0.00048  -0.00016   2.32664
   A27        2.06332  -0.00001   0.00046  -0.00016   0.00030   2.06363
   A28        1.81765  -0.00001   0.00023  -0.00009   0.00015   1.81780
   A29        1.57741  -0.00001   0.00030  -0.00006   0.00024   1.57765
   A30        1.33628   0.00002  -0.00024   0.00032   0.00009   1.33637
   A31        1.63435   0.00001  -0.00003   0.00077   0.00073   1.63508
   A32        1.58360   0.00001   0.00020   0.00130   0.00150   1.58510
   A33        1.73451   0.00001   0.00016   0.00158   0.00173   1.73624
   A34        2.03164   0.00002  -0.00016   0.00048   0.00032   2.03196
   A35        1.84990   0.00000   0.00121  -0.00061   0.00060   1.85050
   A36        1.91521   0.00000   0.00089   0.00026   0.00115   1.91636
   A37        1.56599   0.00002   0.00053   0.00080   0.00132   1.56732
   A38        1.58121   0.00003   0.00028   0.00109   0.00137   1.58258
   A39        2.26973   0.00002   0.00057   0.00079   0.00135   2.27108
   A40        2.36351   0.00003   0.00018   0.00123   0.00141   2.36491
   A41        0.68909   0.00001  -0.00003  -0.00015  -0.00017   0.68892
   A42        0.74706  -0.00002   0.00007   0.00008   0.00015   0.74721
   A43        2.65904   0.00000  -0.00024  -0.00001  -0.00025   2.65878
   A44        2.60420   0.00000   0.00005  -0.00036  -0.00032   2.60389
   A45        2.66297   0.00001   0.00025  -0.00048  -0.00022   2.66275
   A46        2.35844   0.00002   0.00033  -0.00020   0.00014   2.35857
   A47        2.19642   0.00001   0.00004  -0.00036  -0.00032   2.19610
   A48        1.96269   0.00002   0.00013  -0.00027  -0.00014   1.96255
   A49        1.09304   0.00000  -0.00027   0.00037   0.00010   1.09313
   A50        1.45215  -0.00001  -0.00015   0.00059   0.00044   1.45260
   A51        1.55204   0.00000  -0.00004   0.00102   0.00098   1.55302
   A52        1.78661   0.00001  -0.00014   0.00119   0.00105   1.78766
   A53        1.77951  -0.00001  -0.00026   0.00022  -0.00004   1.77946
   A54        1.70839   0.00000   0.00161  -0.00001   0.00160   1.70999
   A55        1.64283  -0.00001   0.00124   0.00077   0.00201   1.64484
   A56        1.24227   0.00000   0.00093   0.00110   0.00203   1.24430
   A57        1.20763   0.00000   0.00056   0.00136   0.00192   1.20955
   A58        1.93678   0.00001   0.00076   0.00134   0.00209   1.93888
   A59        1.98568   0.00001   0.00034   0.00156   0.00190   1.98758
   A60        0.84059  -0.00001   0.00034  -0.00049  -0.00015   0.84044
   A61        0.77738  -0.00003   0.00051  -0.00044   0.00007   0.77745
   A62        2.59841   0.00001   0.00015  -0.00041  -0.00026   2.59814
   A63        2.76964  -0.00001   0.00037  -0.00075  -0.00038   2.76927
   A64        2.61618   0.00000   0.00003   0.00006   0.00008   2.61626
   A65        2.39564  -0.00001   0.00036  -0.00076  -0.00040   2.39525
   A66        2.20211  -0.00001   0.00037  -0.00053  -0.00015   2.20196
   A67        0.85058   0.00002   0.00001   0.00011   0.00012   0.85070
   A68        1.22603   0.00001   0.00015   0.00022   0.00037   1.22640
   A69        1.40507   0.00001   0.00032   0.00048   0.00081   1.40588
   A70        1.67543   0.00002   0.00024   0.00057   0.00081   1.67623
   A71        1.51628   0.00002  -0.00008  -0.00004  -0.00012   1.51616
   A72        1.72388   0.00000   0.00116   0.00068   0.00184   1.72572
   A73        1.55354   0.00000   0.00085   0.00132   0.00217   1.55571
   A74        1.12425   0.00002   0.00068   0.00144   0.00213   1.12637
   A75        1.01228   0.00002   0.00040   0.00165   0.00205   1.01434
   A76        1.77020   0.00002   0.00035   0.00185   0.00220   1.77240
   A77        1.76161   0.00003   0.00006   0.00188   0.00194   1.76355
   A78        1.99721  -0.00001  -0.00013   0.00010  -0.00003   1.99717
   A79        1.94309  -0.00001   0.00000  -0.00020  -0.00020   1.94289
   A80        2.22270   0.00000   0.00009  -0.00046  -0.00037   2.22233
   A81        2.08240   0.00000   0.00035   0.00001   0.00036   2.08276
   A82        1.55511   0.00000   0.00002  -0.00027  -0.00025   1.55485
   A83        1.38971   0.00000   0.00015  -0.00021  -0.00006   1.38965
   A84        1.19666   0.00000  -0.00003   0.00001  -0.00002   1.19664
   A85        1.38059   0.00000   0.00013   0.00057   0.00069   1.38128
   A86        1.21230  -0.00001   0.00026   0.00103   0.00129   1.21359
   A87        1.31698   0.00000   0.00014   0.00134   0.00148   1.31846
   A88        1.80721   0.00000   0.00009   0.00055   0.00064   1.80785
   A89        2.28044   0.00001   0.00123  -0.00042   0.00081   2.28125
   A90        2.32512   0.00000   0.00115   0.00057   0.00172   2.32684
   A91        1.93082   0.00001   0.00093   0.00095   0.00187   1.93270
   A92        1.85248   0.00002   0.00075   0.00117   0.00192   1.85440
   A93        2.61051   0.00002   0.00071   0.00134   0.00205   2.61256
   A94        2.55272   0.00002   0.00021   0.00154   0.00175   2.55446
   A95        1.91281   0.00002  -0.00032  -0.00008  -0.00040   1.91241
   A96        1.99450   0.00002  -0.00013  -0.00031  -0.00044   1.99406
   A97        2.37140   0.00002  -0.00002  -0.00048  -0.00050   2.37090
   A98        2.32877   0.00002   0.00036   0.00004   0.00040   2.32917
   A99        1.66649   0.00002  -0.00004  -0.00042  -0.00046   1.66603
   A100       1.57463   0.00002   0.00018  -0.00030  -0.00013   1.57450
   A101       0.89086  -0.00001  -0.00009  -0.00011  -0.00020   0.89066
   A102       1.05858   0.00000  -0.00001   0.00043   0.00042   1.05900
   A103       0.92652   0.00001   0.00005   0.00088   0.00094   0.92746
   A104       1.08582   0.00003  -0.00011   0.00114   0.00103   1.08685
   A105       1.48512   0.00001  -0.00005   0.00041   0.00035   1.48547
   A106       2.45471  -0.00002   0.00166   0.00005   0.00171   2.45642
   A107       2.32815  -0.00003   0.00134   0.00090   0.00224   2.33039
   A108       1.89590  -0.00001   0.00121   0.00096   0.00217   1.89807
   A109       1.72303  -0.00001   0.00095   0.00110   0.00205   1.72508
   A110       2.44823  -0.00001   0.00051   0.00149   0.00200   2.45022
   A111       2.28896   0.00000   0.00005   0.00139   0.00143   2.29039
   A112       0.71402  -0.00001   0.00009   0.00001   0.00010   0.71412
   A113       1.00584  -0.00002   0.00015   0.00012   0.00026   1.00610
   A114       0.69587   0.00000   0.00003   0.00006   0.00009   0.69596
   A115       0.98379  -0.00001   0.00008   0.00001   0.00009   0.98388
   A116       1.80732  -0.00001   0.00000  -0.00037  -0.00037   1.80695
   A117       1.42659   0.00001  -0.00007  -0.00038  -0.00045   1.42614
   A118       1.19542   0.00000  -0.00018  -0.00085  -0.00102   1.19440
   A119       0.92321  -0.00001  -0.00009  -0.00100  -0.00109   0.92212
   A120       1.24994   0.00000   0.00013   0.00020   0.00034   1.25028
   A121       1.91289   0.00000  -0.00136  -0.00003  -0.00139   1.91150
   A122       1.96041   0.00000  -0.00100  -0.00065  -0.00165   1.95876
   A123       2.31893  -0.00001  -0.00057  -0.00105  -0.00162   2.31731
   A124       2.23812  -0.00001  -0.00018  -0.00116  -0.00134   2.23678
   A125       1.61734  -0.00001  -0.00066  -0.00102  -0.00168   1.61566
   A126       1.48486  -0.00001  -0.00037  -0.00116  -0.00153   1.48333
   A127       0.65656  -0.00001   0.00014   0.00021   0.00035   0.65691
   A128       0.66133  -0.00001   0.00002  -0.00013  -0.00011   0.66121
   A129       2.17220  -0.00001   0.00010  -0.00044  -0.00034   2.17186
   A130       1.79955   0.00000   0.00004  -0.00035  -0.00031   1.79924
   A131       1.50857  -0.00001   0.00002  -0.00079  -0.00077   1.50780
   A132       1.21713  -0.00001   0.00012  -0.00084  -0.00073   1.21640
   A133       1.64332   0.00000   0.00017   0.00027   0.00044   1.64376
   A134       1.75850   0.00000  -0.00148  -0.00008  -0.00156   1.75693
   A135       1.95949   0.00001  -0.00122  -0.00058  -0.00180   1.95769
   A136       2.38929  -0.00001  -0.00106  -0.00069  -0.00175   2.38754
   A137       2.47112  -0.00001  -0.00061  -0.00100  -0.00161   2.46950
   A138       1.72796  -0.00001  -0.00073  -0.00108  -0.00181   1.72615
   A139       1.69246  -0.00001  -0.00041  -0.00118  -0.00159   1.69088
   A140       0.70491   0.00000   0.00002  -0.00006  -0.00003   0.70487
   A141       0.83302  -0.00001  -0.00007  -0.00025  -0.00031   0.83270
   A142       2.49819  -0.00002   0.00004  -0.00015  -0.00011   2.49808
   A143       2.11933   0.00000  -0.00006  -0.00029  -0.00035   2.11898
   A144       1.90486  -0.00001  -0.00004  -0.00085  -0.00089   1.90397
   A145       1.62163  -0.00002   0.00008  -0.00096  -0.00088   1.62075
   A146       1.83537  -0.00001   0.00002   0.00024   0.00026   1.83563
   A147       1.33315   0.00001  -0.00149  -0.00004  -0.00153   1.33162
   A148       1.57379   0.00001  -0.00125  -0.00047  -0.00172   1.57207
   A149       2.00447  -0.00001  -0.00118  -0.00043  -0.00162   2.00285
   A150       2.18453  -0.00001  -0.00093  -0.00066  -0.00159   2.18294
   A151       1.43277  -0.00001  -0.00070  -0.00100  -0.00171   1.43106
   A152       1.49547  -0.00002  -0.00038  -0.00107  -0.00145   1.49402
   A153       0.76725  -0.00001   0.00023   0.00049   0.00072   0.76797
   A154       0.76845  -0.00001   0.00011   0.00037   0.00049   0.76893
   A155       2.81024  -0.00003   0.00009  -0.00023  -0.00014   2.81010
   A156       2.42865  -0.00001   0.00001  -0.00030  -0.00029   2.42836
   A157       2.16416  -0.00002   0.00019  -0.00054  -0.00035   2.16381
   A158       1.87158  -0.00003   0.00030  -0.00056  -0.00027   1.87131
   A159       2.14521  -0.00002  -0.00007  -0.00001  -0.00009   2.14513
   A160       1.19630   0.00001  -0.00157  -0.00060  -0.00218   1.19412
   A161       1.52218   0.00001  -0.00139  -0.00095  -0.00234   1.51985
   A162       1.91898   0.00000  -0.00144  -0.00067  -0.00211   1.91688
   A163       2.18006   0.00000  -0.00128  -0.00090  -0.00218   2.17788
   A164       1.50510  -0.00001  -0.00082  -0.00152  -0.00234   1.50276
   A165       1.64550  -0.00002  -0.00053  -0.00154  -0.00207   1.64343
   A166       2.16459  -0.00001   0.00017  -0.00074  -0.00056   2.16403
   A167       1.86559   0.00000   0.00020  -0.00041  -0.00021   1.86537
   A168       1.48160  -0.00001   0.00024  -0.00067  -0.00044   1.48116
   A169       1.20242  -0.00002   0.00030  -0.00054  -0.00024   1.20218
   A170       1.87083   0.00000   0.00031   0.00025   0.00056   1.87139
   A171       1.96319   0.00000  -0.00133  -0.00013  -0.00146   1.96173
   A172       2.26975   0.00001  -0.00120  -0.00048  -0.00169   2.26806
   A173       2.68545  -0.00001  -0.00121  -0.00022  -0.00143   2.68402
   A174       2.11689  -0.00001  -0.00071  -0.00109  -0.00180   2.11509
   A175       2.10071  -0.00001  -0.00039  -0.00119  -0.00158   2.09912
   A176       2.27375  -0.00001   0.00036  -0.00065  -0.00029   2.27346
   A177       2.05380   0.00000   0.00042  -0.00027   0.00015   2.05396
   A178       1.64470  -0.00001   0.00050  -0.00039   0.00010   1.64481
   A179       1.39352  -0.00002   0.00053  -0.00020   0.00032   1.39384
   A180       2.13750   0.00000   0.00046   0.00029   0.00075   2.13826
   A181       1.89586   0.00000  -0.00124  -0.00034  -0.00158   1.89429
   A182       2.27053   0.00001  -0.00119  -0.00050  -0.00170   2.26883
   A183       2.58809   0.00000  -0.00117   0.00022  -0.00096   2.58713
   A184       2.25647  -0.00001  -0.00075  -0.00122  -0.00197   2.25450
   A185       2.31881  -0.00002  -0.00044  -0.00134  -0.00178   2.31703
   A186       0.69087   0.00000  -0.00001   0.00008   0.00007   0.69094
   A187       0.98127   0.00000  -0.00008   0.00008   0.00000   0.98127
   A188       0.69949   0.00000   0.00004   0.00003   0.00007   0.69956
   A189       2.11356   0.00000   0.00089   0.00098   0.00187   2.11543
   A190       1.73138   0.00000   0.00075   0.00108   0.00183   1.73321
   A191       1.40296   0.00002   0.00095   0.00066   0.00161   1.40458
   A192       1.09721   0.00001   0.00081   0.00079   0.00161   1.09882
   A193       1.61779   0.00001   0.00021   0.00150   0.00171   1.61950
   A194       1.40562   0.00001   0.00003   0.00144   0.00147   1.40709
   A195       0.66600   0.00002  -0.00011   0.00004  -0.00007   0.66593
   A196       2.25663  -0.00001   0.00020   0.00049   0.00070   2.25733
   A197       1.85717  -0.00001   0.00026   0.00035   0.00061   1.85778
   A198       1.63992   0.00000   0.00070  -0.00004   0.00066   1.64058
   A199       1.32013   0.00000   0.00060   0.00001   0.00062   1.32075
   A200       1.60793   0.00000  -0.00022   0.00059   0.00037   1.60829
   A201       1.34075   0.00001  -0.00031   0.00051   0.00021   1.34096
   A202       0.71006   0.00001  -0.00010   0.00006  -0.00004   0.71002
   A203       2.63877   0.00000  -0.00032   0.00022  -0.00011   2.63866
   A204       2.25277   0.00000  -0.00003   0.00014   0.00010   2.25287
   A205       2.05033   0.00001   0.00066   0.00015   0.00081   2.05114
   A206       1.73068   0.00001   0.00055   0.00019   0.00074   1.73142
   A207       1.94692   0.00000  -0.00055   0.00004  -0.00052   1.94640
   A208       1.66430   0.00001  -0.00056  -0.00008  -0.00064   1.66366
   A209       0.83413   0.00001  -0.00003   0.00003   0.00001   0.83413
   A210       2.67060   0.00000  -0.00110  -0.00068  -0.00179   2.66880
   A211       2.37851   0.00000  -0.00044  -0.00066  -0.00111   2.37740
   A212       2.29198   0.00002   0.00045  -0.00036   0.00008   2.29207
   A213       1.97572   0.00001   0.00041  -0.00024   0.00017   1.97589
   A214       2.00251  -0.00001  -0.00070  -0.00081  -0.00151   2.00100
   A215       1.72446   0.00001  -0.00060  -0.00084  -0.00144   1.72301
   A216       1.93017  -0.00001  -0.00033   0.00007  -0.00026   1.92991
   A217       1.56092  -0.00001  -0.00018  -0.00030  -0.00048   1.56044
   A218       1.48936   0.00000   0.00021  -0.00098  -0.00077   1.48859
   A219       1.19829  -0.00001   0.00019  -0.00101  -0.00082   1.19747
   A220       1.23738  -0.00001  -0.00042   0.00005  -0.00037   1.23701
   A221       0.95610   0.00000  -0.00043   0.00001  -0.00042   0.95568
   A222       0.72545  -0.00001   0.00009   0.00006   0.00015   0.72560
   A223       1.01760  -0.00001   0.00012   0.00012   0.00024   1.01784
   A224       0.69810   0.00000   0.00000   0.00017   0.00017   0.69828
   A225       0.98201  -0.00001  -0.00002   0.00026   0.00024   0.98225
   A226       0.65864  -0.00001   0.00009   0.00009   0.00017   0.65881
   A227       0.66290   0.00000  -0.00003   0.00012   0.00008   0.66298
   A228       0.70439   0.00001   0.00000   0.00005   0.00005   0.70444
   A229       0.85006   0.00000   0.00004  -0.00004   0.00000   0.85006
   A230       0.75969   0.00000  -0.00010   0.00024   0.00014   0.75983
   A231       0.78239   0.00000  -0.00009   0.00012   0.00003   0.78242
   A232       1.58859   0.00005  -0.00139  -0.00025  -0.00164   1.58695
   A233       1.86648  -0.00005   0.00140   0.00218   0.00358   1.87006
   A234       2.19001  -0.00001  -0.00015   0.00019   0.00003   2.19004
   A235       2.12898  -0.00001  -0.00021   0.00030   0.00009   2.12907
   A236       1.96383   0.00002   0.00034  -0.00045  -0.00011   1.96372
   A237       2.12394  -0.00001   0.00003   0.00036   0.00039   2.12432
   A238       2.12504   0.00007  -0.00015   0.00028   0.00013   2.12517
   A239       2.03371  -0.00006   0.00016  -0.00057  -0.00042   2.03329
   A240       1.83065   0.00000   0.00170  -0.00061   0.00109   1.83174
   A241       2.54396  -0.00002  -0.00164   0.00032  -0.00133   2.54263
   A242       1.91349  -0.00002   0.00006   0.00006   0.00011   1.91360
   A243       1.91705   0.00003   0.00041  -0.00028   0.00013   1.91719
   A244       1.91725  -0.00001  -0.00024  -0.00097  -0.00120   1.91605
   A245       1.90954   0.00000  -0.00009   0.00022   0.00013   1.90968
   A246       1.90789   0.00003  -0.00002   0.00043   0.00040   1.90829
   A247       1.89849  -0.00002  -0.00012   0.00055   0.00043   1.89892
   A248       1.28388   0.00001  -0.00059   0.00140   0.00081   1.28469
   A249       1.90531  -0.00007   0.00031  -0.00021   0.00009   1.90540
   A250       1.90945  -0.00004  -0.00005   0.00001  -0.00003   1.90941
   A251       1.92803   0.00002  -0.00013   0.00004  -0.00009   1.92794
   A252       1.91023   0.00006  -0.00012   0.00022   0.00010   1.91033
   A253       1.89802   0.00002   0.00001  -0.00009  -0.00008   1.89794
   A254       1.91268   0.00001  -0.00001   0.00003   0.00002   1.91270
   A255       1.72424  -0.00003  -0.00017  -0.00073  -0.00090   1.72334
   A256       1.76298   0.00000   0.00011   0.00010   0.00021   1.76319
   A257       2.19139   0.00000   0.00010  -0.00011  -0.00001   2.19138
   A258       2.12961   0.00001   0.00004   0.00002   0.00007   2.12967
   A259       1.96198  -0.00001  -0.00014   0.00009  -0.00005   1.96193
   A260       2.12573  -0.00002   0.00012  -0.00009   0.00003   2.12576
   A261       2.12250   0.00000  -0.00009   0.00009   0.00000   2.12250
   A262       2.03468   0.00002  -0.00003  -0.00003  -0.00006   2.03462
   A263       1.35674   0.00000   0.00087   0.00272   0.00360   1.36034
   A264       1.90105  -0.00001   0.00019   0.00022   0.00040   1.90146
   A265       1.93112   0.00000  -0.00011  -0.00007  -0.00018   1.93095
   A266       1.90976   0.00001  -0.00004  -0.00015  -0.00019   1.90957
   A267       1.89702   0.00000  -0.00006  -0.00017  -0.00022   1.89680
   A268       1.91340   0.00000   0.00002   0.00018   0.00020   1.91360
   A269       1.91135   0.00000   0.00000   0.00000  -0.00001   1.91135
   A270       2.66831   0.00000   0.00045   0.00077   0.00122   2.66953
   A271       1.69515  -0.00001  -0.00043  -0.00072  -0.00115   1.69400
   A272       1.92450   0.00000  -0.00008   0.00006  -0.00002   1.92448
   A273       1.91359  -0.00001  -0.00001  -0.00008  -0.00009   1.91350
   A274       1.91344   0.00000   0.00002  -0.00005  -0.00002   1.91342
   A275       1.89433   0.00001   0.00005   0.00013   0.00018   1.89451
   A276       1.91087   0.00000   0.00002  -0.00005  -0.00003   1.91084
   A277       1.90691   0.00001   0.00000  -0.00002  -0.00002   1.90690
   A278       1.80424   0.00003  -0.00091  -0.00097  -0.00188   1.80236
   A279       1.75473   0.00002   0.00040   0.00119   0.00158   1.75631
   A280       2.18962   0.00000   0.00008  -0.00034  -0.00026   2.18936
   A281       2.13066  -0.00002   0.00002   0.00022   0.00024   2.13091
   A282       1.96281   0.00002  -0.00010   0.00013   0.00003   1.96284
   A283       2.12293  -0.00001   0.00002  -0.00002   0.00000   2.12293
   A284       2.11502   0.00001   0.00001   0.00000   0.00001   2.11503
   A285       2.04240  -0.00001   0.00003   0.00008   0.00011   2.04251
   A286       2.69677  -0.00002  -0.00049   0.00009  -0.00040   2.69637
   A287       1.66302   0.00003   0.00039  -0.00019   0.00020   1.66322
   A288       1.92628   0.00000   0.00010   0.00000   0.00010   1.92638
   A289       1.91514   0.00000  -0.00015  -0.00008  -0.00022   1.91491
   A290       1.91236   0.00000  -0.00003   0.00010   0.00006   1.91243
   A291       1.89169  -0.00002   0.00007   0.00008   0.00014   1.89184
   A292       1.91225  -0.00001   0.00007   0.00002   0.00009   1.91234
   A293       1.90589   0.00002  -0.00006  -0.00012  -0.00018   1.90571
   A294       1.34838   0.00003   0.00082   0.00092   0.00174   1.35012
   A295       1.15368  -0.00001  -0.00081  -0.00067  -0.00148   1.15220
   A296       1.93294  -0.00001   0.00001  -0.00015  -0.00015   1.93279
   A297       1.90651   0.00001  -0.00008   0.00025   0.00017   1.90668
   A298       1.90202  -0.00001   0.00018  -0.00010   0.00007   1.90209
   A299       1.90941  -0.00001   0.00004   0.00008   0.00011   1.90953
   A300       1.89831   0.00000  -0.00014  -0.00008  -0.00021   1.89809
   A301       1.91458   0.00001   0.00000   0.00000   0.00000   1.91458
   A302       1.64741   0.00003  -0.00105   0.00114   0.00008   1.64749
   A303       1.80511  -0.00001   0.00078  -0.00112  -0.00033   1.80478
   A304       2.18990  -0.00001   0.00018   0.00034   0.00052   2.19042
   A305       2.12938   0.00000   0.00010  -0.00026  -0.00016   2.12921
   A306       1.96352   0.00001  -0.00028  -0.00007  -0.00035   1.96317
   A307       2.12589   0.00000  -0.00017   0.00002  -0.00016   2.12574
   A308       2.12351  -0.00005   0.00023   0.00002   0.00024   2.12375
   A309       2.03070   0.00005  -0.00015  -0.00009  -0.00024   2.03047
   A310       1.30822   0.00010  -0.00093   0.00170   0.00075   1.30896
   A311       3.04445  -0.00002   0.00032  -0.00184  -0.00154   3.04291
   A312       1.91035   0.00006  -0.00023   0.00018  -0.00008   1.91027
   A313       1.92465   0.00002  -0.00021   0.00191   0.00183   1.92647
   A314       1.90395  -0.00004   0.00000  -0.00024  -0.00023   1.90372
   A315       1.91440  -0.00008   0.00027  -0.00095  -0.00074   1.91367
   A316       1.91167   0.00006  -0.00008   0.00011   0.00002   1.91169
   A317       1.89871  -0.00001   0.00026  -0.00102  -0.00081   1.89790
   A318       1.78333  -0.00002   0.00071  -0.00011   0.00060   1.78393
   A319       1.91594   0.00002   0.00016   0.00021   0.00037   1.91631
   A320       1.91482  -0.00004   0.00001   0.00008   0.00009   1.91490
   A321       1.92025   0.00000  -0.00005   0.00008   0.00003   1.92028
   A322       1.90719  -0.00002   0.00017   0.00024   0.00040   1.90759
   A323       1.91034   0.00001  -0.00012  -0.00039  -0.00051   1.90984
   A324       1.89511   0.00002  -0.00016  -0.00023  -0.00039   1.89472
   A325       2.94173  -0.00002   0.00015  -0.00046  -0.00031   2.94142
   A326       3.35505   0.00001   0.00015   0.00097   0.00112   3.35617
   A327       3.07368   0.00002   0.00014   0.00100   0.00113   3.07481
   A328       3.19656   0.00002  -0.00060   0.00143   0.00083   3.19738
   A329       3.26809   0.00000   0.00087   0.00272   0.00359   3.27168
   A330       3.25779   0.00002   0.00086   0.00100   0.00186   3.25965
   A331       3.69367  -0.00001   0.00059  -0.00050   0.00009   3.69377
   A332       3.21834  -0.00001   0.00044  -0.00107  -0.00062   3.21772
   A333       2.98123  -0.00001  -0.00100  -0.00026  -0.00127   2.97997
   A334       2.91395   0.00000  -0.00120  -0.00023  -0.00143   2.91252
   A335       3.22764   0.00000  -0.00022   0.00115   0.00093   3.22857
   A336       3.07834   0.00000  -0.00025  -0.00137  -0.00162   3.07672
   A337       3.10241   0.00001  -0.00063  -0.00032  -0.00095   3.10146
   A338       3.04582  -0.00002  -0.00015  -0.00058  -0.00074   3.04509
    D1        2.75822   0.00000   0.00030   0.00000   0.00030   2.75852
    D2       -1.36077   0.00000  -0.00013   0.00072   0.00059  -1.36018
    D3        2.78146  -0.00001   0.00102  -0.00038   0.00064   2.78210
    D4       -1.33753  -0.00001   0.00059   0.00034   0.00092  -1.33661
    D5        1.66130   0.00000   0.00034   0.00046   0.00081   1.66211
    D6       -2.45769   0.00000  -0.00009   0.00118   0.00109  -2.45660
    D7        1.84175   0.00003   0.00041   0.00036   0.00078   1.84253
    D8       -2.27724   0.00003  -0.00002   0.00108   0.00106  -2.27618
    D9        0.32276  -0.00001   0.00091   0.00016   0.00108   0.32384
   D10        2.48695  -0.00001   0.00048   0.00088   0.00136   2.48832
   D11        0.03350   0.00000   0.00068   0.00053   0.00120   0.03470
   D12        2.19769   0.00000   0.00025   0.00124   0.00149   2.19917
   D13       -0.43688   0.00000   0.00057   0.00069   0.00126  -0.43562
   D14        1.72731   0.00000   0.00014   0.00141   0.00155   1.72886
   D15       -0.55958   0.00001   0.00038   0.00036   0.00074  -0.55884
   D16        1.60461   0.00001  -0.00005   0.00108   0.00102   1.60564
   D17        0.21123   0.00000   0.00063   0.00086   0.00149   0.21272
   D18        2.37542   0.00000   0.00020   0.00157   0.00178   2.37720
   D19        0.14394   0.00000   0.00043   0.00090   0.00133   0.14527
   D20        2.30814   0.00000   0.00000   0.00161   0.00161   2.30975
   D21        2.40372  -0.00001   0.00084   0.00019   0.00103   2.40475
   D22       -1.71527  -0.00001   0.00041   0.00091   0.00131  -1.71396
   D23        2.15952   0.00001   0.00103   0.00065   0.00167   2.16119
   D24       -1.95948   0.00001   0.00060   0.00136   0.00196  -1.95752
   D25        1.71923   0.00000   0.00102   0.00023   0.00125   1.72048
   D26       -2.39976  -0.00001   0.00059   0.00095   0.00154  -2.39822
   D27        1.41353  -0.00002   0.00108   0.00013   0.00121   1.41474
   D28       -2.70546  -0.00002   0.00065   0.00084   0.00149  -2.70397
   D29        2.36732   0.00002   0.00144   0.00177   0.00321   2.37053
   D30       -1.75168   0.00002   0.00101   0.00249   0.00350  -1.74818
   D31       -1.75508   0.00000   0.00187   0.00107   0.00295  -1.75213
   D32        0.40912   0.00000   0.00144   0.00179   0.00323   0.41235
   D33       -2.10682   0.00000   0.00166   0.00140   0.00306  -2.10377
   D34        0.05737   0.00000   0.00123   0.00211   0.00334   0.06071
   D35       -2.48010   0.00001   0.00181   0.00096   0.00277  -2.47733
   D36       -0.31591   0.00001   0.00138   0.00167   0.00305  -0.31286
   D37       -2.77000   0.00001   0.00163   0.00112   0.00276  -2.76725
   D38       -0.60581   0.00001   0.00120   0.00184   0.00304  -0.60277
   D39       -2.13593   0.00002   0.00104   0.00239   0.00342  -2.13250
   D40        0.02826   0.00001   0.00061   0.00310   0.00371   0.03197
   D41       -2.38034   0.00003   0.00063   0.00281   0.00344  -2.37689
   D42       -0.21614   0.00003   0.00020   0.00352   0.00373  -0.21242
   D43        1.26258  -0.00001  -0.00108   0.00030  -0.00078   1.26181
   D44       -1.92782  -0.00001   0.00029   0.00519   0.00548  -1.92235
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   D50       -0.32017   0.00001   0.00110   0.00559   0.00669  -0.31348
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   D54       -2.03436   0.00000   0.00081   0.00663   0.00744  -2.02692
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   D57        2.02204   0.00001  -0.00060   0.00125   0.00065   2.02269
   D58       -1.16837   0.00001   0.00077   0.00614   0.00691  -1.16146
   D59        1.82603   0.00001  -0.00086   0.00121   0.00035   1.82638
   D60       -1.36437   0.00001   0.00050   0.00610   0.00660  -1.35777
   D61       -2.27530  -0.00001  -0.00054   0.00062   0.00008  -2.27523
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   D81       -1.14941   0.00001  -0.00096   0.00160   0.00064  -1.14878
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   D83       -1.53298   0.00000  -0.00010   0.00063   0.00054  -1.53244
   D84       -2.60892  -0.00001   0.00012   0.00083   0.00095  -2.60798
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   D89       -0.39875   0.00002   0.00027   0.00053   0.00081  -0.39794
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   D91       -0.05376   0.00001   0.00014   0.00095   0.00109  -0.05267
   D92        2.40843  -0.00001   0.00051   0.00026   0.00077   2.40920
   D93        2.05932   0.00001   0.00050   0.00054   0.00105   2.06036
   D94        1.66636   0.00000   0.00057   0.00035   0.00092   1.66727
   D95        1.37888  -0.00001   0.00064   0.00058   0.00122   1.38010
   D96        2.06071   0.00000   0.00064   0.00118   0.00181   2.06253
   D97       -1.89872   0.00000   0.00158   0.00159   0.00318  -1.89554
   D98       -2.43759  -0.00001   0.00098   0.00156   0.00254  -2.43505
   D99       -2.65040   0.00001   0.00113   0.00054   0.00166  -2.64873
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   D101      -2.90901  -0.00002  -0.00019   0.00194   0.00175  -2.90727
   D102       2.84579  -0.00001  -0.00035   0.00044   0.00009   2.84588
   D103      -2.90872   0.00002  -0.00062   0.00109   0.00047  -2.90825
   D104       1.18906   0.00002  -0.00064   0.00129   0.00064   1.18970
   D105       2.80176   0.00003  -0.00080   0.00089   0.00010   2.80185
   D106       0.61635   0.00002  -0.00082   0.00109   0.00027   0.61662
   D107       2.29994  -0.00001  -0.00085   0.00086   0.00000   2.29994
   D108       0.11453  -0.00002  -0.00088   0.00105   0.00018   0.11471
   D109       1.74171   0.00004  -0.00087   0.00115   0.00028   1.74199
   D110      -0.44370   0.00003  -0.00089   0.00134   0.00045  -0.44324
   D111       2.58497   0.00000  -0.00051   0.00064   0.00014   2.58510
   D112       0.39956   0.00000  -0.00053   0.00084   0.00031   0.39987
   D113       2.24885  -0.00001  -0.00056   0.00055  -0.00002   2.24884
   D114       0.06345  -0.00001  -0.00059   0.00075   0.00016   0.06361
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   D116       2.48625   0.00000  -0.00026   0.00003  -0.00023   2.48601
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   D119      -2.73486   0.00000  -0.00019  -0.00001  -0.00021  -2.73507
   D120       1.36292  -0.00001  -0.00022   0.00018  -0.00003   1.36289
   D121      -2.69761   0.00000  -0.00004   0.00022   0.00018  -2.69743
   D122       1.40018   0.00000  -0.00007   0.00042   0.00035   1.40052
   D123       1.32244   0.00000  -0.00046   0.00077   0.00031   1.32275
   D124      -0.86296   0.00000  -0.00048   0.00097   0.00048  -0.86248
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   D126      -0.89181   0.00000  -0.00068   0.00042  -0.00026  -0.89206
   D127       1.64923   0.00000  -0.00083   0.00004  -0.00079   1.64845
   D128      -0.53617   0.00000  -0.00085   0.00024  -0.00061  -0.53678
   D129       1.77488   0.00001  -0.00084  -0.00033  -0.00117   1.77370
   D130      -0.41053   0.00001  -0.00087  -0.00013  -0.00100  -0.41153
   D131       0.89376  -0.00001  -0.00070  -0.00004  -0.00073   0.89303
   D132      -1.29164  -0.00001  -0.00072   0.00016  -0.00056  -1.29220
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   D135      -0.52878   0.00001  -0.00095  -0.00004  -0.00099  -0.52977
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   D137      -0.23763  -0.00001  -0.00165   0.00044  -0.00121  -0.23884
   D138      -2.42303  -0.00002  -0.00167   0.00063  -0.00104  -2.42407
   D139       0.17120  -0.00001  -0.00152  -0.00006  -0.00158   0.16962
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   D141      -0.30799   0.00000  -0.00052  -0.00051  -0.00102  -0.30901
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   D148       2.99916  -0.00001  -0.00072  -0.00103  -0.00175   2.99741
   D149       2.61415   0.00001  -0.00100  -0.00108  -0.00208   2.61207
   D150       1.51473   0.00000  -0.00046  -0.00178  -0.00223   1.51249
   D151       2.61631   0.00000  -0.00048  -0.00164  -0.00212   2.61419
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   D154       1.23958  -0.00001  -0.00093  -0.00125  -0.00218   1.23740
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   D259       2.02025   0.00000  -0.00007  -0.00143  -0.00150   2.01875
   D260      -0.73573   0.00000   0.00035  -0.00063  -0.00028  -0.73601
   D261       2.18428   0.00000   0.00015  -0.00145  -0.00130   2.18298
   D262      -0.93748   0.00001   0.00075   0.00018   0.00093  -0.93655
   D263       1.98253   0.00001   0.00056  -0.00064  -0.00008   1.98245
   D264      -1.30832   0.00000   0.00010  -0.00063  -0.00052  -1.30884
   D265       1.61169   0.00000  -0.00009  -0.00145  -0.00154   1.61015
   D266      -1.54744   0.00001   0.00021  -0.00040  -0.00019  -1.54763
   D267       1.37257   0.00001   0.00001  -0.00122  -0.00120   1.37137
   D268       1.97657   0.00000   0.00055   0.00070   0.00125   1.97782
   D269      -1.38660  -0.00001   0.00036  -0.00012   0.00023  -1.38637
   D270       0.85594   0.00001   0.00040   0.00075   0.00115   0.85709
   D271      -2.50723   0.00001   0.00020  -0.00007   0.00013  -2.50710
   D272       0.94928  -0.00001  -0.00312  -0.00217  -0.00529   0.94399
   D273      -2.41389  -0.00001  -0.00332  -0.00299  -0.00631  -2.42020
   D274       1.12499   0.00001  -0.00149  -0.00202  -0.00351   1.12148
   D275      -2.23818   0.00000  -0.00168  -0.00284  -0.00453  -2.24271
   D276       1.58533  -0.00001  -0.00081  -0.00201  -0.00282   1.58250
   D277      -1.77785  -0.00001  -0.00101  -0.00283  -0.00384  -1.78169
   D278       1.57395  -0.00001  -0.00043  -0.00175  -0.00218   1.57177
   D279      -1.78922  -0.00001  -0.00063  -0.00257  -0.00320  -1.79242
   D280       0.81554  -0.00001  -0.00065  -0.00208  -0.00273   0.81281
   D281      -2.54763  -0.00001  -0.00084  -0.00290  -0.00374  -2.55137
   D282       0.78759  -0.00001  -0.00025  -0.00186  -0.00211   0.78548
   D283      -2.57558  -0.00001  -0.00045  -0.00268  -0.00313  -2.57871
   D284       1.58185  -0.00001  -0.00165  -0.00269  -0.00434   1.57752
   D285      -2.63194  -0.00001  -0.00177  -0.00293  -0.00470  -2.63664
   D286       1.64413   0.00001  -0.00125  -0.00210  -0.00335   1.64078
   D287      -2.56967   0.00000  -0.00137  -0.00234  -0.00371  -2.57338
   D288       1.33441   0.00000  -0.00090  -0.00160  -0.00250   1.33190
   D289      -2.87939  -0.00001  -0.00102  -0.00184  -0.00287  -2.88225
   D290       1.24613   0.00001  -0.00127  -0.00099  -0.00226   1.24387
   D291      -2.96766   0.00001  -0.00139  -0.00123  -0.00262  -2.97028
   D292       2.04114   0.00001  -0.00096  -0.00170  -0.00266   2.03848
   D293      -2.17266   0.00000  -0.00108  -0.00194  -0.00302  -2.17568
   D294       2.02493  -0.00002  -0.00075  -0.00142  -0.00217   2.02276
   D295      -2.18886  -0.00003  -0.00087  -0.00166  -0.00253  -2.19140
   D296      -2.29413   0.00000  -0.00111  -0.00172  -0.00282  -2.29695
   D297      -0.22474   0.00000  -0.00123  -0.00196  -0.00318  -0.22792
   D298      -2.26774   0.00000  -0.00089  -0.00173  -0.00263  -2.27037
   D299      -0.19835   0.00000  -0.00101  -0.00197  -0.00299  -0.20134
   D300      -1.87915   0.00000  -0.00078  -0.00176  -0.00254  -1.88169
   D301       0.19024   0.00000  -0.00091  -0.00200  -0.00290   0.18734
   D302      -1.81440   0.00000  -0.00036  -0.00100  -0.00136  -1.81576
   D303       0.25499  -0.00001  -0.00048  -0.00124  -0.00172   0.25327
   D304      -2.61358   0.00000  -0.00083  -0.00175  -0.00258  -2.61616
   D305      -0.54418   0.00000  -0.00095  -0.00199  -0.00295  -0.54713
   D306      -2.73758   0.00001  -0.00063  -0.00155  -0.00218  -2.73976
   D307      -0.66819   0.00001  -0.00075  -0.00179  -0.00254  -0.67073
   D308       1.52600   0.00002  -0.00072  -0.00025  -0.00098   1.52502
   D309      -2.68780   0.00002  -0.00084  -0.00049  -0.00134  -2.68913
   D310       2.62580   0.00001  -0.00069  -0.00019  -0.00088   2.62492
   D311      -1.58799   0.00001  -0.00082  -0.00042  -0.00124  -1.58923
   D312       3.00881   0.00002  -0.00086  -0.00018  -0.00104   3.00776
   D313      -1.20499   0.00001  -0.00098  -0.00042  -0.00140  -1.20639
   D314      -0.46779   0.00000  -0.00247  -0.00170  -0.00418  -0.47197
   D315       1.60160   0.00000  -0.00260  -0.00194  -0.00454   1.59706
   D316      -0.30793   0.00001  -0.00213  -0.00233  -0.00446  -0.31238
   D317       1.76146   0.00000  -0.00225  -0.00257  -0.00482   1.75665
   D318       0.11925  -0.00001  -0.00196  -0.00246  -0.00441   0.11484
   D319       2.18864  -0.00001  -0.00208  -0.00270  -0.00478   2.18387
   D320       0.25586  -0.00001  -0.00178  -0.00261  -0.00439   0.25147
   D321       2.32526  -0.00001  -0.00190  -0.00285  -0.00475   2.32050
   D322      -0.55556  -0.00001  -0.00173  -0.00297  -0.00470  -0.56026
   D323       1.51384  -0.00001  -0.00186  -0.00321  -0.00507   1.50877
   D324      -0.59912  -0.00001  -0.00151  -0.00337  -0.00488  -0.60400
   D325       1.47027  -0.00002  -0.00163  -0.00361  -0.00524   1.46503
   D326       0.10008  -0.00001   0.00137  -0.00198  -0.00061   0.09947
   D327       2.27106   0.00000   0.00132  -0.00216  -0.00084   2.27023
   D328       0.40506  -0.00003   0.00110  -0.00217  -0.00107   0.40399
   D329       2.57605  -0.00002   0.00105  -0.00235  -0.00130   2.57475
   D330       0.77178   0.00000   0.00119  -0.00219  -0.00100   0.77078
   D331       2.94277   0.00001   0.00114  -0.00236  -0.00123   2.94154
   D332       1.05179  -0.00003   0.00122  -0.00216  -0.00094   1.05085
   D333      -3.06041  -0.00002   0.00117  -0.00234  -0.00117  -3.06158
   D334       0.33997  -0.00001   0.00032  -0.00251  -0.00220   0.33777
   D335       2.51096   0.00000   0.00027  -0.00269  -0.00243   2.50853
   D336       0.73152   0.00001   0.00075  -0.00279  -0.00205   0.72948
   D337       2.90251   0.00002   0.00070  -0.00297  -0.00228   2.90023
   D338      -2.31648  -0.00001   0.00116  -0.00171  -0.00055  -2.31703
   D339      -0.14550   0.00000   0.00111  -0.00188  -0.00078  -0.14627
   D340      -1.94002  -0.00001   0.00101  -0.00166  -0.00064  -1.94066
   D341       0.23097   0.00000   0.00096  -0.00183  -0.00087   0.23010
   D342      -1.89302  -0.00001   0.00109  -0.00170  -0.00061  -1.89363
   D343       0.27796   0.00000   0.00104  -0.00188  -0.00083   0.27713
   D344      -1.59465  -0.00002   0.00118  -0.00210  -0.00092  -1.59557
   D345       0.57634  -0.00001   0.00113  -0.00228  -0.00115   0.57519
   D346      -1.57040  -0.00001   0.00078  -0.00166  -0.00087  -1.57127
   D347       0.60059   0.00000   0.00073  -0.00183  -0.00110   0.59949
   D348      -1.26977  -0.00002   0.00073  -0.00178  -0.00105  -1.27082
   D349       0.90122  -0.00001   0.00068  -0.00195  -0.00127   0.89994
   D350       1.86621   0.00000   0.00170  -0.00192  -0.00021   1.86600
   D351      -2.24599   0.00001   0.00165  -0.00209  -0.00043  -2.24642
   D352       2.30147  -0.00001   0.00232  -0.00138   0.00095   2.30243
   D353      -1.81072   0.00000   0.00227  -0.00156   0.00072  -1.81000
   D354       2.55670   0.00000   0.00398   0.00008   0.00406   2.56076
   D355      -1.55549   0.00001   0.00393  -0.00009   0.00383  -1.55166
   D356      -3.09505   0.00002   0.00308   0.00000   0.00306  -3.09199
   D357      -0.92406   0.00003   0.00303  -0.00017   0.00283  -0.92123
   D358       2.62166  -0.00001   0.00151  -0.00194  -0.00042   2.62123
   D359      -1.49054   0.00000   0.00146  -0.00212  -0.00065  -1.49119
   D360       1.63880  -0.00001   0.00047  -0.00001   0.00046   1.63925
   D361      -2.47340   0.00000   0.00042  -0.00019   0.00023  -2.47317
   D362       1.81087   0.00000   0.00068  -0.00036   0.00032   1.81120
   D363      -2.30132   0.00001   0.00063  -0.00054   0.00009  -2.30123
   D364       2.75087   0.00001   0.00040  -0.00009   0.00031   2.75118
   D365      -1.36132   0.00002   0.00035  -0.00027   0.00008  -1.36124
   D366       2.75066   0.00001   0.00053  -0.00033   0.00021   2.75086
   D367      -1.36154   0.00002   0.00048  -0.00050  -0.00002  -1.36156
   D368       0.07275  -0.00002   0.00140  -0.00141  -0.00002   0.07273
   D369      -2.49256   0.00000   0.00967   0.01294   0.02260  -2.46995
   D370       0.47198  -0.00002   0.00141  -0.00137   0.00004   0.47202
   D371      -2.09332  -0.00001   0.00968   0.01298   0.02266  -2.07066
   D372       0.68486   0.00000   0.00170  -0.00132   0.00038   0.68525
   D373      -1.88044   0.00002   0.00997   0.01303   0.02300  -1.85744
   D374       0.95645  -0.00002   0.00143  -0.00123   0.00020   0.95665
   D375      -1.60885  -0.00001   0.00970   0.01312   0.02281  -1.58604
   D376       0.71272   0.00000   0.00102  -0.00114  -0.00012   0.71260
   D377      -1.85258   0.00001   0.00929   0.01321   0.02249  -1.83009
   D378       1.05331  -0.00001   0.00131  -0.00088   0.00044   1.05375
   D379      -1.51199   0.00000   0.00959   0.01347   0.02305  -1.48894
   D380      -2.73891   0.00001   0.00199  -0.00104   0.00095  -2.73796
   D381       0.97897   0.00002   0.01027   0.01331   0.02357   1.00254
   D382      -2.18749   0.00000   0.00172  -0.00151   0.00021  -2.18728
   D383       1.53039   0.00001   0.00999   0.01284   0.02283   1.55322
   D384      -1.95261  -0.00001   0.00126  -0.00111   0.00016  -1.95246
   D385       1.76527   0.00000   0.00953   0.01324   0.02277   1.78804
   D386      -1.62392  -0.00002   0.00099  -0.00139  -0.00040  -1.62432
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   D388      -1.67515  -0.00001   0.00111  -0.00278  -0.00167  -1.67682
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   D390      -1.10362  -0.00004   0.00000  -0.00255  -0.00255  -1.10617
   D391       2.61426  -0.00002   0.00827   0.01179   0.02007   2.63433
   D392       1.80569   0.00000   0.00111  -0.00115  -0.00004   1.80565
   D393      -0.75961   0.00001   0.00938   0.01319   0.02258  -0.73703
   D394       2.10615  -0.00001   0.00141  -0.00054   0.00087   2.10702
   D395      -0.45915   0.00001   0.00968   0.01381   0.02349  -0.43567
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   D397      -0.51059   0.00001   0.01018   0.01486   0.02504  -0.48555
   D398       2.25721   0.00001   0.00217   0.00141   0.00358   2.26079
   D399      -0.30809   0.00003   0.01045   0.01575   0.02620  -0.28190
   D400       2.50571   0.00000   0.00119  -0.00091   0.00028   2.50599
   D401      -0.05959   0.00001   0.00946   0.01344   0.02289  -0.03670
   D402      -1.53298  -0.00001   0.00018   0.00063   0.00081  -1.53217
   D403       2.18490   0.00001   0.00845   0.01498   0.02343   2.20833
   D404      -2.63025  -0.00002   0.00024   0.00042   0.00066  -2.62958
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   D407       0.73797   0.00002   0.00860   0.01454   0.02314   0.76111
   D408       1.92438  -0.00001   0.00139  -0.00215  -0.00076   1.92362
   D409       2.42102  -0.00002   0.00156  -0.00211  -0.00055   2.42047
   D410       2.64836   0.00001   0.00165  -0.00134   0.00030   2.64866
   D411       2.87980  -0.00001   0.00131  -0.00077   0.00053   2.88034
   D412       2.85103   0.00002   0.00191  -0.00201  -0.00011   2.85093
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   D426       2.47244  -0.00001   0.00006   0.00026   0.00032   2.47277
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   D428      -3.07287  -0.00002   0.00063  -0.00174  -0.00111  -3.07398
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   D430       0.03985  -0.00002  -0.00008  -0.00039  -0.00047   0.03938
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   D441       0.73491  -0.00002   0.00043   0.00365   0.00407   0.73898
   D442       2.82485  -0.00001   0.00043   0.00380   0.00423   2.82908
   D443      -1.35135  -0.00001   0.00031   0.00387   0.00417  -1.34718
   D444       0.00112  -0.00002  -0.00005   0.00009   0.00004   0.00116
   D445       3.11629  -0.00003  -0.00025  -0.00098  -0.00123   3.11506
   D446      -3.11877   0.00000  -0.00014   0.00015   0.00001  -3.11875
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   D449      -1.77898  -0.00001  -0.00118  -0.00413  -0.00530  -1.78428
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   D453      -2.78790   0.00000  -0.00109  -0.00325  -0.00434  -2.79225
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   D460      -3.08639   0.00004  -0.00102  -0.00157  -0.00259  -3.08898
   D461      -0.02805   0.00003  -0.00013  -0.00065  -0.00078  -0.02883
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   D463       3.12775  -0.00004  -0.00019  -0.00133  -0.00151   3.12624
   D464       1.93607   0.00001   0.00139   0.00070   0.00209   1.93816
   D465      -2.26356  -0.00001   0.00144   0.00075   0.00219  -2.26137
   D466      -0.17116   0.00002   0.00126   0.00061   0.00187  -0.16929
   D467      -1.12558   0.00002   0.00053  -0.00017   0.00035  -1.12522
   D468       0.95797   0.00000   0.00058  -0.00013   0.00046   0.95843
   D469       3.05038   0.00003   0.00040  -0.00026   0.00014   3.05051
   D470      -1.63916   0.00001  -0.00212  -0.00157  -0.00369  -1.64285
   D471       0.46498  -0.00001  -0.00212  -0.00140  -0.00352   0.46146
   D472       2.55648   0.00001  -0.00207  -0.00131  -0.00338   2.55310
   D473       1.42287  -0.00001  -0.00126  -0.00070  -0.00196   1.42091
   D474      -2.75617  -0.00002  -0.00127  -0.00053  -0.00180  -2.75797
   D475      -0.66467   0.00000  -0.00121  -0.00044  -0.00165  -0.66632
   D476       0.00920  -0.00001  -0.00007  -0.00124  -0.00132   0.00788
   D477      -3.04508  -0.00004   0.00135  -0.00052   0.00083  -3.04425
   D478       3.12138   0.00002  -0.00028  -0.00090  -0.00118   3.12020
   D479       0.06711  -0.00001   0.00113  -0.00017   0.00096   0.06807
   D480      -0.30438   0.00006   0.00045   0.00186   0.00230  -0.30207
   D481       1.80319   0.00000   0.00050   0.00201   0.00250   1.80569
   D482      -2.39579  -0.00003   0.00069   0.00177   0.00246  -2.39333
   D483       2.75429   0.00008  -0.00088   0.00118   0.00029   2.75458
   D484      -1.42133   0.00003  -0.00083   0.00133   0.00048  -1.42085
   D485       0.66288  -0.00001  -0.00064   0.00109   0.00044   0.66332
   D486      -0.09018   0.00003  -0.00098  -0.00073  -0.00171  -0.09189
   D487       2.00584  -0.00001  -0.00067  -0.00025  -0.00093   2.00491
   D488      -2.19352   0.00000  -0.00090  -0.00044  -0.00134  -2.19486
   D489       3.13421   0.00000   0.00037  -0.00005   0.00032   3.13454
   D490      -1.05295  -0.00004   0.00068   0.00042   0.00110  -1.05185
   D491       1.03088  -0.00003   0.00045   0.00024   0.00070   1.03157
         Item               Value     Threshold  Converged?
 Maximum Force            0.000350     0.000450     YES
 RMS     Force            0.000022     0.000300     YES
 Maximum Displacement     0.013390     0.001800     NO 
 RMS     Displacement     0.001694     0.001200     NO 
 Predicted change in Energy=-3.618719D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:47:58 2016, MaxMem=  2952790016 cpu:        12.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.829728   -0.592804    1.669984
      2          6           0       -2.069522    1.118548   -1.364412
      3          8           0       -2.621948    0.139599   -1.895980
      4          7           0       -0.778642    1.160508   -0.935517
      5          1           0       -2.614038    2.063192   -1.164695
      6          6           0       -0.235348    2.330236   -0.244365
      7          1           0       -0.989524    3.129049   -0.221522
      8          1           0        0.043058    2.059516    0.787274
      9          1           0        0.662902    2.691261   -0.771622
     10          6           0        0.128246    0.022981   -1.106956
     11          1           0        0.694517   -0.131683   -0.175237
     12          1           0       -0.456108   -0.878363   -1.333566
     13          1           0        0.840182    0.217636   -1.926101
     14          6           0       -2.003042   -4.002259    2.613202
     15          8           0       -2.120837   -3.852672    3.841440
     16          7           0       -2.947930   -3.692355    1.683944
     17          1           0       -1.073757   -4.396188    2.155686
     18          6           0       -4.246323   -3.128365    2.061594
     19          1           0       -4.509653   -2.329048    1.350373
     20          1           0       -5.030782   -3.902790    2.028857
     21          1           0       -4.182755   -2.713569    3.075809
     22          6           0       -2.704594   -3.874256    0.252522
     23          1           0       -3.416196   -4.604855   -0.165929
     24          1           0       -2.839663   -2.913485   -0.271288
     25          1           0       -1.677402   -4.231580    0.095137
     26          6           0        1.550167    0.381696    2.613930
     27          8           0        1.371183    1.398812    3.305202
     28          7           0        1.175571   -0.881153    2.956270
     29          1           0        2.035940    0.424109    1.619201
     30          6           0        1.485986   -2.030677    2.106176
     31          1           0        2.233968   -2.678139    2.593960
     32          1           0        0.572959   -2.622924    1.933894
     33          1           0        1.876353   -1.679959    1.141054
     34          6           0        0.531879   -1.159003    4.242711
     35          1           0        1.278849   -1.462956    4.995864
     36          1           0        0.011125   -0.257153    4.588879
     37          1           0       -0.191055   -1.977129    4.111613
     38          6           0       -4.605684    1.098670    2.909107
     39          8           0       -4.856079    1.671017    1.834301
     40          7           0       -3.532337    1.350427    3.707407
     41          1           0       -5.246795    0.285328    3.304785
     42          6           0       -2.535504    2.369418    3.363213
     43          1           0       -2.624076    2.622563    2.298699
     44          1           0       -2.685990    3.275139    3.973304
     45          1           0       -1.529400    1.970760    3.564198
     46          6           0       -3.252995    0.544623    4.895960
     47          1           0       -4.067225   -0.175060    5.057362
     48          1           0       -2.304221   -0.002505    4.760273
     49          1           0       -3.158962    1.195974    5.779902
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.491960   0.000000
     3  O    3.725604   1.243415   0.000000
     4  N    3.311725   1.360913   2.315712   0.000000
     5  H    3.962936   1.108483   2.057924   2.058163   0.000000
     6  C    3.840696   2.467162   3.636287   1.463257   2.564466
     7  H    4.258629   2.552393   3.795449   2.104617   2.159785
     8  H    3.364715   3.158824   4.241249   2.109838   3.297022
     9  H    4.791631   3.207954   4.308759   2.109055   3.359659
    10  C    3.453151   2.469157   2.863517   1.464857   3.418467
    11  H    3.160584   3.258393   3.746130   2.101899   4.091825
    12  H    3.315070   2.567433   2.458337   2.102254   3.652112
    13  H    4.551600   3.097340   3.463141   2.119164   3.989668
    14  C    3.541762   6.484481   6.153922   6.383316   7.171855
    15  O    3.927685   7.198372   7.007662   7.053565   7.765442
    16  N    3.295116   5.762713   5.254141   5.926016   6.430595
    17  H    3.908085   6.617775   6.275847   6.365493   7.424350
    18  C    3.524536   5.874712   5.383361   6.277094   6.326575
    19  H    3.209157   5.020977   4.494047   5.596672   5.404692
    20  H    4.618608   6.745159   6.127621   7.246047   7.185567
    21  H    3.465649   6.234295   5.940991   6.533544   6.577249
    22  C    3.680016   5.286387   4.553452   5.519926   6.104916
    23  H    4.688711   6.000603   5.112118   6.386577   6.789981
    24  H    3.189681   4.247979   3.465306   4.613722   5.061264
    25  H    3.967875   5.559488   4.895296   5.562790   6.487574
    26  C    3.642029   5.428840   6.148532   4.316071   5.869074
    27  O    4.109295   5.807090   6.677051   4.760487   6.025228
    28  N    3.281692   5.761747   6.245592   4.809712   6.325555
    29  H    3.997510   5.122403   5.842377   3.871788   5.662064
    30  C    3.640289   5.882537   6.132086   4.956218   6.653462
    31  H    4.660041   6.971626   7.188820   6.022312   7.753120
    32  H    3.156571   5.644479   5.701482   4.937074   6.458938
    33  H    3.898296   5.447837   5.724429   4.407879   6.284207
    34  C    3.537894   6.587439   7.022573   5.823370   7.037000
    35  H    4.634857   7.637334   8.079723   6.804198   8.095726
    36  H    3.467182   6.454713   7.010270   5.757816   6.736401
    37  H    3.250102   6.564960   6.817695   5.971897   7.073505
    38  C    3.478856   4.969454   5.286198   5.425053   4.636035
    39  O    3.782946   4.278070   4.609943   4.955603   3.764907
    40  N    3.290307   5.283649   5.804555   5.401449   5.008861
    41  H    3.888449   5.708828   5.827437   6.221776   5.483472
    42  C    3.484236   4.912458   5.713027   4.798656   4.538931
    43  H    3.371180   3.998496   4.874469   4.000422   3.508289
    44  H    4.582516   5.789829   6.654638   5.675047   5.279491
    45  H    3.201578   5.030824   5.861771   4.633311   4.852567
    46  C    3.704908   6.397050   6.833207   6.364578   6.280594
    47  H    4.081082   6.848607   7.108925   6.965136   6.770194
    48  H    3.181743   6.230860   6.665348   6.010159   6.282383
    49  H    4.675255   7.227315   7.766819   7.124887   7.019717
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098820   0.000000
     8  H    1.102306   1.796606   0.000000
     9  H    1.102358   1.795767   1.792614   0.000000
    10  C    2.489917   3.417756   2.782596   2.741901   0.000000
    11  H    2.632578   3.670218   2.480358   2.885426   1.101219
    12  H    3.395615   4.192914   3.657631   3.782880   1.097836
    13  H    2.906558   3.837934   3.374957   2.735520   1.102607
    14  C    7.168746   7.740699   6.653244   7.960370   5.880860
    15  O    7.647040   8.156712   6.997452   8.476591   6.675753
    16  N    6.880994   7.348313   6.544773   7.734240   5.572765
    17  H    7.190824   7.892236   6.692977   7.862382   5.623050
    18  C    7.155536   7.414485   6.851043   8.123770   6.253602
    19  H    6.520874   6.682288   6.348523   7.514099   5.751575
    20  H    8.186229   8.416812   7.926820   9.151078   7.201429
    21  H    7.214260   7.430027   6.773273   8.215553   6.600679
    22  C    6.696252   7.225819   6.560885   7.449491   5.006159
    23  H    7.630166   8.105868   7.568942   8.380884   5.904699
    24  H    5.854895   6.319629   5.844773   6.628082   4.257894
    25  H    6.726976   7.399480   6.558729   7.358941   4.775634
    26  C    3.892906   4.694439   2.902263   4.193244   3.999441
    27  O    4.005985   4.583060   2.922398   4.335042   4.785911
    28  N    4.748449   5.555872   3.825527   5.188655   4.292336
    29  H    3.502135   4.456275   2.708918   3.569488   3.351438
    30  C    5.244577   6.178114   4.533345   5.590696   4.047862
    31  H    6.263979   7.213963   5.523547   6.528847   5.042509
    32  H    5.471011   6.338166   4.849822   5.963930   4.055287
    33  H    4.739233   5.761633   4.179689   4.923246   3.318046
    34  C    5.735615   6.374279   4.747405   6.323388   5.493536
    35  H    6.643877   7.311165   5.625586   7.134480   6.385633
    36  H    5.487766   5.967211   4.451985   6.152473   5.703922
    37  H    6.126165   6.744380   5.234553   6.809486   5.597844
    38  C    5.528199   5.196142   5.199635   6.621338   6.300473
    39  O    5.109460   4.615465   5.024813   6.187963   6.017517
    40  N    5.238957   5.006583   4.670486   6.281686   6.191936
    41  H    6.472459   6.216586   6.121123   7.571666   6.958689
    42  C    4.278653   3.977111   3.657934   5.237389   5.708217
    43  H    3.501235   3.046276   3.116894   4.498424   5.092307
    44  H    4.968623   4.527240   4.367634   5.836978   6.656237
    45  H    4.038433   3.995594   3.192461   4.911685   5.325534
    46  C    6.222343   6.163698   5.480891   7.215524   6.909406
    47  H    7.004863   6.946654   6.334147   8.035357   7.459224
    48  H    5.896467   6.029373   5.054342   6.830964   6.351529
    49  H    6.791602   6.667857   5.993744   7.730782   7.720781
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795326   0.000000
    13  H    1.791303   1.797965   0.000000
    14  C    5.480290   5.265805   6.818849   0.000000
    15  O    6.156758   6.196654   7.655035   1.242908   0.000000
    16  N    5.422394   4.820072   6.532246   1.361019   2.316155
    17  H    5.171654   4.993141   6.450699   1.108184   2.057559
    18  C    6.196403   5.563753   7.278046   2.469872   2.865338
    19  H    5.851434   5.073386   6.770643   3.267640   3.772703
    20  H    7.201273   6.432782   8.190715   3.085217   3.428666
    21  H    6.404938   6.057927   7.670787   2.574078   2.476945
    22  C    5.073834   4.067768   5.835702   2.466043   3.636148
    23  H    6.075139   4.900228   6.668686   3.175483   4.278170
    24  H    4.498675   3.309303   5.107209   3.194628   4.279406
    25  H    4.744287   3.844062   5.497195   2.549368   3.791436
    26  C    2.962288   4.603870   4.598138   5.643080   5.736978
    27  O    3.861833   5.481122   5.389218   6.405921   6.329284
    28  N    3.255680   4.589671   5.015712   4.467951   4.525457
    29  H    2.308318   4.077447   3.747217   6.074055   6.364589
    30  C    3.072043   4.114776   4.661677   4.039496   4.397724
    31  H    4.064825   5.089319   5.546089   4.439135   4.679749
    32  H    3.266419   3.844316   4.799974   2.999967   3.522435
    33  H    2.350855   3.493805   3.752593   4.754998   5.290585
    34  C    4.538734   5.670075   6.328066   4.143094   3.801812
    35  H    5.371594   6.588893   7.136555   4.784971   4.312923
    36  H    4.814517   5.973238   6.584658   4.688922   4.246373
    37  H    4.750473   5.561252   6.506492   3.103173   2.704572
    38  C    6.254524   6.255231   7.335728   5.734176   5.617784
    39  O    6.172283   5.991199   6.978562   6.397856   6.482384
    40  N    5.927721   6.312061   7.220703   5.673383   5.392824
    41  H    6.898090   6.768986   8.026085   5.420666   5.213699
    42  C    5.404551   6.077146   6.633420   6.437724   6.254203
    43  H    4.971849   5.490894   5.969396   6.661296   6.675476
    44  H    6.343867   7.098368   7.522313   7.434838   7.151397
    45  H    4.832126   5.766936   6.231512   6.066768   5.859951
    46  C    6.461987   6.975275   7.962508   5.239036   4.661545
    47  H    7.075038   7.374196   8.544332   4.988208   4.334942
    48  H    5.776537   6.427872   7.392113   4.549578   3.962534
    49  H    7.216346   7.887314   8.736863   6.195624   5.506738
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056804   0.000000
    18  C    1.465104   3.417806   0.000000
    19  H    2.099728   4.089863   1.101856   0.000000
    20  H    2.121679   3.989683   1.102806   1.791251   0.000000
    21  H    2.102405   3.652903   1.097602   1.797734   1.797082
    22  C    1.463307   2.560092   2.491189   2.617477   2.927001
    23  H    2.115173   3.304611   2.798391   2.945186   2.813694
    24  H    2.107438   3.347691   2.732619   2.400046   3.327221
    25  H    2.104593   2.153449   3.418097   3.635504   3.884911
    26  C    6.139677   5.470204   6.798889   6.757671   7.874517
    27  O    6.870459   6.393836   7.321084   7.232049   8.409589
    28  N    5.150237   4.249222   5.936947   6.082523   6.964855
    29  H    6.464397   5.761363   7.230672   7.106120   8.296291
    30  C    4.753848   3.485740   5.836632   6.050451   6.780786
    31  H    5.358062   3.752975   6.517690   6.866207   7.388890
    32  H    3.688200   2.430089   4.847396   5.124432   5.748825
    33  H    5.255300   4.136488   6.358650   6.422321   7.310109
    34  C    5.007418   4.172901   5.609534   5.928884   6.585796
    35  H    5.814181   4.712241   6.473875   6.895395   7.386973
    36  H    5.384726   4.922297   5.723364   5.934484   6.727942
    37  H    4.054126   3.233676   4.687549   5.137955   5.609723
    38  C    5.215659   6.575379   4.326112   3.766712   5.096091
    39  O    5.694682   7.156830   4.843297   4.044096   5.579936
    40  N    5.464942   6.440190   4.824734   4.477644   5.714819
    41  H    4.871742   6.375834   3.768258   3.346351   4.383490
    42  C    6.303581   7.026254   5.903112   5.479449   6.880952
    43  H    6.353031   7.189354   5.980057   5.382674   6.960265
    44  H    7.338648   8.046880   6.862517   6.450769   7.797537
    45  H    6.133388   6.536783   5.969972   5.680781   7.008247
    46  C    5.325607   6.055558   4.744594   4.733746   5.582139
    47  H    5.000414   5.932832   4.210548   4.310124   4.898597
    48  H    4.846975   5.253796   4.563511   4.680187   5.486984
    49  H    6.381001   6.982499   5.805865   5.819868   6.600866
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391623   0.000000
    23  H    3.830593   1.102385   0.000000
    24  H    3.612053   1.102589   1.790035   0.000000
    25  H    4.179182   1.098896   1.797469   1.795130   0.000000
    26  C    6.531492   6.464701   7.566906   6.201073   6.167968
    27  O    6.914516   7.330489   8.426848   7.008453   7.162381
    28  N    5.664248   5.596839   6.685687   5.538015   5.248895
    29  H    7.116102   6.543426   7.629087   6.203628   6.147123
    30  C    5.791473   4.939209   5.985002   5.014273   4.346870
    31  H    6.434887   5.594857   6.576745   5.831532   4.894498
    32  H    4.891728   3.890398   4.924496   4.073480   3.321585
    33  H    6.443945   5.156501   6.186622   5.075146   4.498209
    34  C    5.099619   5.811107   6.848160   5.900991   5.614625
    35  H    5.922818   6.646915   7.652391   6.841716   6.357816
    36  H    5.090383   6.265984   7.297756   6.229311   6.232248
    37  H    4.189141   4.980919   5.966896   5.205930   4.839820
    38  C    3.839247   5.949923   6.587938   5.415822   6.701106
    39  O    4.606441   6.154751   6.742459   5.432964   6.925989
    40  N    4.163896   6.318126   7.105041   5.872884   6.902759
    41  H    3.190297   5.751629   6.269836   5.367960   6.591272
    42  C    5.350962   6.977711   7.865808   6.419593   7.415512
    43  H    5.613171   6.811901   7.677071   6.107303   7.261622
    44  H    6.237822   8.059679   8.930888   7.505947   8.509304
    45  H    5.405715   6.820007   7.791826   6.346936   7.108115
    46  C    3.846195   6.433409   7.222636   6.231357   6.952877
    47  H    3.222410   6.215087   6.879658   6.115586   6.840342
    48  H    3.703536   5.955719   6.832686   5.837561   6.327834
    49  H    4.862591   7.514360   8.310757   7.321646   7.998119
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242746   0.000000
    28  N    1.360994   2.314791   0.000000
    29  H    1.107817   2.057801   2.057108   0.000000
    30  C    2.466064   3.634864   1.463018   2.562336   0.000000
    31  H    3.135374   4.227504   2.116750   3.257808   1.103004
    32  H    3.231891   4.323425   2.107643   3.394666   1.101843
    33  H    2.554639   3.797047   2.103377   2.163607   1.098568
    34  C    2.462436   2.850574   1.465084   3.413392   2.496981
    35  H    3.024891   3.325144   2.123466   3.941580   2.952204
    36  H    2.584028   2.497960   2.100172   3.658275   3.388866
    37  H    3.292258   3.806293   2.098488   4.115528   2.614787
    38  C    6.204488   5.997492   6.111042   6.799269   6.895357
    39  O    6.581045   6.404408   6.644787   7.007209   7.348350
    40  N    5.288287   4.920226   5.263892   6.018670   6.259343
    41  H    6.832661   6.710997   6.536737   7.476542   7.220172
    42  C    4.604907   4.025872   4.950141   5.265349   6.092073
    43  H    4.748174   4.297989   5.210158   5.197178   6.211466
    44  H    5.307064   4.519692   5.763746   5.997232   7.003087
    45  H    3.593308   2.967757   3.977417   4.345893   5.218225
    46  C    5.320203   4.964189   5.040578   6.222901   6.072314
    47  H    6.151051   5.926502   5.692106   7.030546   6.556750
    48  H    4.428398   4.193986   4.016890   5.374508   5.052068
    49  H    5.732566   5.165994   5.574543   6.700314   6.744114
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788208   0.000000
    33  H    1.798663   1.793493   0.000000
    34  C    2.814828   2.734115   3.420421   0.000000
    35  H    2.856232   3.349547   3.906874   1.103445   0.000000
    36  H    3.844724   3.600205   4.170246   1.097429   1.796308
    37  H    2.945407   2.396503   3.631351   1.099614   1.790780
    38  C    7.819491   6.451328   7.270735   5.768027   6.748645
    39  O    8.352305   6.922593   7.552170   6.545193   7.579882
    40  N    7.121754   5.982167   6.709944   4.806417   5.720382
    41  H    8.077699   6.648820   7.699567   6.029832   6.964214
    42  C    6.986948   6.052187   6.387482   4.757322   5.648179
    43  H    7.196194   6.153799   6.332906   5.295232   6.260910
    44  H    7.845386   7.040389   7.306819   5.485333   6.262198
    45  H    6.059419   5.308458   5.549642   3.808499   4.661152
    46  C    6.766990   5.783174   6.734857   4.201707   4.957617
    47  H    7.213791   6.105685   7.275185   4.773213   5.499361
    48  H    5.696235   4.809697   5.778391   3.106256   3.876444
    49  H    7.364962   6.580500   7.425920   4.640170   5.232474
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796379   0.000000
    38  C    5.096549   5.513212   0.000000
    39  O    5.915676   6.344886   1.243177   0.000000
    40  N    3.989666   4.732883   1.361153   2.315944   0.000000
    41  H    5.439568   5.597338   1.108652   2.057940   2.058131
    42  C    3.858296   4.994899   2.471165   2.865381   1.466454
    43  H    4.525701   5.510301   2.573251   2.470414   2.104217
    44  H    4.486697   5.816369   3.091077   3.443520   2.119321
    45  H    2.895994   4.204362   3.263925   3.761541   2.101685
    46  C    3.375148   4.043502   2.466641   3.634887   1.462878
    47  H    4.105990   4.377966   2.554863   3.797159   2.106086
    48  H    2.335605   2.964013   3.152163   4.227762   2.108844
    49  H    3.685046   4.654056   3.216198   4.321301   2.111516
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420225   0.000000
    43  H    3.654249   1.097778   0.000000
    44  H    3.992945   1.102356   1.798330   0.000000
    45  H    4.089866   1.100713   1.795731   1.790663   0.000000
    46  C    2.564041   2.488771   3.385135   2.937432   2.603505
    47  H    2.162144   3.419164   4.185642   3.871288   3.643438
    48  H    3.295456   2.762478   3.612843   3.392347   2.434074
    49  H    3.363707   2.757908   3.800004   2.794714   2.857465
                   46         47         48         49
    46  C    0.000000
    47  H    1.098620   0.000000
    48  H    1.103599   1.796168   0.000000
    49  H    1.102023   1.796313   1.790691   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2146116      0.1946132      0.1849590
 Leave Link  202 at Mon Nov 14 03:47:58 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.6941247762 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843903203 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.5097344558 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4032
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.27D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     217
 GePol: Fraction of low-weight points (<1% of avg)   =       5.38%
 GePol: Cavity surface area                          =    467.212 Ang**2
 GePol: Cavity volume                                =    458.128 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039808858 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.5057535701 Hartrees.
 Leave Link  301 at Mon Nov 14 03:47:58 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11986 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:47:59 2016, MaxMem=  2952790016 cpu:        13.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:47:59 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000340    0.001215   -0.000646
         Rot=    1.000000   -0.000005   -0.000072   -0.000060 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 03:48:00 2016, MaxMem=  2952790016 cpu:         7.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48771072.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.55D-15 for   3412.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.13D-15 for   3400    443.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   3379.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.95D-10 for   2502   2469.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.02D-14 for    698.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.32D-14 for   1898    989.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   3188.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.99D-16 for   3635    975.
 E= -1013.45136794638    
 DIIS: error= 1.03D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45136794638     IErMin= 1 ErrMin= 1.03D-04
 ErrMax= 1.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-05 BMatP= 2.09D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.03D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.60D-05 MaxDP=7.60D-04              OVMax= 1.09D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.60D-05    CP:  1.00D+00
 E= -1013.45140219428     Delta-E=       -0.000034247894 Rises=F Damp=F
 DIIS: error= 2.07D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45140219428     IErMin= 2 ErrMin= 2.07D-05
 ErrMax= 2.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.97D-07 BMatP= 2.09D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.236D-01 0.976D+00
 Coeff:      0.236D-01 0.976D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.91D-06 MaxDP=2.99D-04 DE=-3.42D-05 OVMax= 4.04D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.82D-06    CP:  1.00D+00  9.65D-01
 E= -1013.45140111249     Delta-E=        0.000001081786 Rises=F Damp=F
 DIIS: error= 5.71D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45140219428     IErMin= 2 ErrMin= 2.07D-05
 ErrMax= 5.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-06 BMatP= 3.97D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.293D-02 0.690D+00 0.307D+00
 Coeff:      0.293D-02 0.690D+00 0.307D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.79D-06 MaxDP=2.66D-04 DE= 1.08D-06 OVMax= 3.73D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.84D-06    CP:  1.00D+00  9.74D-01  3.14D-01
 E= -1013.45140246690     Delta-E=       -0.000001354412 Rises=F Damp=F
 DIIS: error= 1.20D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45140246690     IErMin= 4 ErrMin= 1.20D-05
 ErrMax= 1.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.33D-08 BMatP= 3.97D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.370D-04 0.265D+00 0.204D+00 0.531D+00
 Coeff:      0.370D-04 0.265D+00 0.204D+00 0.531D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.37D-07 MaxDP=5.96D-05 DE=-1.35D-06 OVMax= 1.05D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.97D-07    CP:  1.00D+00  9.76D-01  3.87D-01  6.15D-01
 E= -1013.45140253919     Delta-E=       -0.000000072286 Rises=F Damp=F
 DIIS: error= 6.38D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45140253919     IErMin= 5 ErrMin= 6.38D-06
 ErrMax= 6.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-08 BMatP= 9.33D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.180D-04 0.139D+00 0.120D+00 0.362D+00 0.379D+00
 Coeff:      0.180D-04 0.139D+00 0.120D+00 0.362D+00 0.379D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.49D-07 MaxDP=2.26D-05 DE=-7.23D-08 OVMax= 2.60D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.58D-07    CP:  1.00D+00  9.77D-01  3.79D-01  6.26D-01  6.27D-01
 E= -1013.45140254868     Delta-E=       -0.000000009490 Rises=F Damp=F
 DIIS: error= 3.88D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45140254868     IErMin= 6 ErrMin= 3.88D-07
 ErrMax= 3.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.24D-11 BMatP= 1.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-04 0.389D-01 0.355D-01 0.109D+00 0.143D+00 0.674D+00
 Coeff:     -0.156D-04 0.389D-01 0.355D-01 0.109D+00 0.143D+00 0.674D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.70D-08 MaxDP=1.54D-06 DE=-9.49D-09 OVMax= 2.19D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.25D-08    CP:  1.00D+00  9.77D-01  3.81D-01  6.28D-01  6.27D-01
                    CP:  9.00D-01
 E= -1013.45140254872     Delta-E=       -0.000000000044 Rises=F Damp=F
 DIIS: error= 1.50D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45140254872     IErMin= 7 ErrMin= 1.50D-07
 ErrMax= 1.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-11 BMatP= 8.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-04 0.952D-02 0.930D-02 0.292D-01 0.454D-01 0.372D+00
 Coeff-Com:  0.534D+00
 Coeff:     -0.153D-04 0.952D-02 0.930D-02 0.292D-01 0.454D-01 0.372D+00
 Coeff:      0.534D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.31D-08 MaxDP=5.38D-07 DE=-4.37D-11 OVMax= 6.32D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.94D-09    CP:  1.00D+00  9.77D-01  3.81D-01  6.29D-01  6.27D-01
                    CP:  9.05D-01  7.46D-01
 E= -1013.45140254875     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 1.84D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45140254875     IErMin= 8 ErrMin= 1.84D-08
 ErrMax= 1.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.64D-13 BMatP= 1.85D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.539D-05 0.132D-02 0.147D-02 0.456D-02 0.890D-02 0.105D+00
 Coeff-Com:  0.218D+00 0.661D+00
 Coeff:     -0.539D-05 0.132D-02 0.147D-02 0.456D-02 0.890D-02 0.105D+00
 Coeff:      0.218D+00 0.661D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.05D-09 MaxDP=1.85D-07 DE=-2.46D-11 OVMax= 2.51D-07

 Error on total polarization charges =  0.04321
 SCF Done:  E(RB97D) =  -1013.45140255     A.U. after    8 cycles
            NFock=  8  Conv=0.40D-08     -V/T= 2.0213
 KE= 9.923484159136D+02 PE=-6.030574762767D+03 EE= 2.175269190734D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:49:43 2016, MaxMem=  2952790016 cpu:      1175.6
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11986 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 03:49:51 2016, MaxMem=  2952790016 cpu:        96.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:49:51 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:50:28 2016, MaxMem=  2952790016 cpu:       442.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23783193D+00-2.54148397D+00 3.32330576D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000367404    0.000237164   -0.000035473
      2        6           0.000046191    0.000039864    0.000062569
      3        8           0.000022111    0.000079765   -0.000034159
      4        7          -0.000069396   -0.000024069   -0.000187705
      5        1           0.000007120    0.000004654    0.000113765
      6        6           0.000081106   -0.000079100    0.000111109
      7        1          -0.000011968    0.000027887    0.000032852
      8        1          -0.000051039    0.000024766   -0.000182284
      9        1           0.000002641    0.000034683    0.000108764
     10        6           0.000168517   -0.000055471    0.000069089
     11        1          -0.000040453    0.000180017   -0.000005389
     12        1           0.000000954    0.000053201   -0.000014148
     13        1           0.000007521    0.000056922    0.000040064
     14        6          -0.000077112   -0.000023448   -0.000034162
     15        8           0.000003514   -0.000001738   -0.000046595
     16        7           0.000001476   -0.000008179   -0.000079492
     17        1           0.000002029   -0.000010576   -0.000036929
     18        6           0.000039213   -0.000004478   -0.000042051
     19        1           0.000033637   -0.000107872    0.000005233
     20        1           0.000004492   -0.000016653   -0.000059511
     21        1          -0.000005875   -0.000011387   -0.000051015
     22        6           0.000027023    0.000010904    0.000002520
     23        1           0.000023562    0.000028263   -0.000065190
     24        1           0.000003091   -0.000051800    0.000029616
     25        1           0.000027509    0.000015352   -0.000024955
     26        6          -0.000114970   -0.000089565    0.000124575
     27        8           0.000087801    0.000024726    0.000003790
     28        7          -0.000060172    0.000139902   -0.000026502
     29        1           0.000004489    0.000033892    0.000022566
     30        6          -0.000002323    0.000021933   -0.000071949
     31        1          -0.000027793   -0.000022915    0.000011513
     32        1          -0.000082644   -0.000078726   -0.000002735
     33        1           0.000043921    0.000008058    0.000030426
     34        6          -0.000065739   -0.000032612    0.000019889
     35        1          -0.000008560   -0.000009026   -0.000000368
     36        1           0.000002392   -0.000048460    0.000030835
     37        1          -0.000011301   -0.000017474    0.000013809
     38        6          -0.000130452   -0.000071283   -0.000172535
     39        8           0.000147361   -0.000015230    0.000281702
     40        7           0.000158897    0.000250658   -0.000252729
     41        1           0.000004296   -0.000025237    0.000014496
     42        6          -0.000509764   -0.000499010    0.000092933
     43        1           0.000026614    0.000133121    0.000047792
     44        1           0.000160008    0.000167146   -0.000083849
     45        1          -0.000017580   -0.000025722    0.000101953
     46        6           0.000018249   -0.000042998    0.000334207
     47        1          -0.000003007   -0.000079544   -0.000080992
     48        1          -0.000205629   -0.000061305   -0.000060300
     49        1          -0.000027360   -0.000059000   -0.000055050
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000509764 RMS     0.000106657
 Leave Link  716 at Mon Nov 14 03:50:28 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000279449 RMS     0.000021596
 Search for a local minimum.
 Step number  81 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .21596D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   56   60   61   62   64
                                                     65   66   67   68   69
                                                     70   71   72   73   74
                                                     75   76   77   78   79
                                                     80   81
 DE= -2.94D-06 DEPred=-3.62D-06 R= 8.14D-01
 TightC=F SS=  1.41D+00  RLast= 1.18D-01 DXNew= 4.2711D-01 3.5516D-01
 Trust test= 8.14D-01 RLast= 1.18D-01 DXMaxT set to 3.55D-01
 ITU=  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1
 ITU=  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0
 ITU=  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0
     Eigenvalues ---    0.00018   0.00060   0.00101   0.00109   0.00141
     Eigenvalues ---    0.00192   0.00198   0.00214   0.00290   0.00388
     Eigenvalues ---    0.00426   0.00444   0.00587   0.00656   0.00713
     Eigenvalues ---    0.00747   0.00832   0.00854   0.00965   0.01012
     Eigenvalues ---    0.01084   0.01136   0.01183   0.01222   0.01289
     Eigenvalues ---    0.01321   0.01478   0.01513   0.01544   0.01625
     Eigenvalues ---    0.01664   0.01736   0.01797   0.01837   0.01901
     Eigenvalues ---    0.01920   0.02004   0.02109   0.02134   0.02186
     Eigenvalues ---    0.02279   0.02346   0.02636   0.02682   0.02947
     Eigenvalues ---    0.03108   0.03413   0.03866   0.04095   0.04307
     Eigenvalues ---    0.04486   0.05191   0.05399   0.05646   0.05961
     Eigenvalues ---    0.06199   0.06286   0.06358   0.06606   0.06715
     Eigenvalues ---    0.07079   0.07284   0.07464   0.07726   0.08010
     Eigenvalues ---    0.08072   0.08166   0.08183   0.08347   0.08497
     Eigenvalues ---    0.08639   0.08761   0.08987   0.09062   0.09337
     Eigenvalues ---    0.09576   0.09785   0.09937   0.09992   0.10107
     Eigenvalues ---    0.10370   0.10468   0.10589   0.10829   0.11049
     Eigenvalues ---    0.11258   0.11357   0.11387   0.11755   0.13308
     Eigenvalues ---    0.13436   0.14299   0.14864   0.15193   0.15423
     Eigenvalues ---    0.15600   0.16281   0.21480   0.22426   0.23029
     Eigenvalues ---    0.23661   0.24531   0.24723   0.25866   0.26428
     Eigenvalues ---    0.26933   0.27462   0.28294   0.29255   0.29699
     Eigenvalues ---    0.29838   0.32177   0.32777   0.32821   0.32830
     Eigenvalues ---    0.32948   0.33299   0.33354   0.33374   0.33377
     Eigenvalues ---    0.33399   0.33424   0.33494   0.33671   0.33727
     Eigenvalues ---    0.33795   0.33818   0.33843   0.33921   0.33983
     Eigenvalues ---    0.34078   0.34214   0.34310   0.37277   0.38926
     Eigenvalues ---    0.40671   0.40903   0.85930   0.86155   0.86431
     Eigenvalues ---    0.90292
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    81   80   79   78   77
 RFO step:  Lambda=-9.38189252D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.16D-06 SmlDif=  1.00D-05
 RMS Error=  0.5920610273D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.08873    0.00676   -0.20702    0.03789    0.07364
 Iteration  1 RMS(Cart)=  0.00061627 RMS(Int)=  0.00000210
 Iteration  2 RMS(Cart)=  0.00000037 RMS(Int)=  0.00000102
 ITry= 1 IFail=0 DXMaxC= 4.68D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59885  -0.00001  -0.00005  -0.00176  -0.00181   6.59703
    R2        6.25825   0.00001  -0.00022   0.00011  -0.00011   6.25814
    R3        7.25786  -0.00005  -0.00051  -0.00228  -0.00279   7.25507
    R4        6.35839  -0.00001  -0.00060  -0.00285  -0.00345   6.35494
    R5        6.52551   0.00006   0.00003   0.00005   0.00008   6.52559
    R6        5.97264   0.00001  -0.00066  -0.00183  -0.00249   5.97015
    R7        6.69296   0.00000   0.00016   0.00086   0.00102   6.69398
    R8        6.22687   0.00002   0.00013   0.00082   0.00095   6.22782
    R9        6.66041   0.00001   0.00009   0.00078   0.00087   6.66128
   R10        6.06443   0.00002  -0.00015  -0.00004  -0.00020   6.06423
   R11        6.95422   0.00001   0.00007   0.00053   0.00060   6.95482
   R12        6.02762   0.00001   0.00006   0.00038   0.00044   6.02806
   R13        6.88244   0.00002   0.00033   0.00010   0.00043   6.88287
   R14        6.20150  -0.00003  -0.00016  -0.00111  -0.00127   6.20023
   R15        6.87915  -0.00005  -0.00040  -0.00147  -0.00187   6.87728
   R16        5.96505  -0.00003  -0.00018  -0.00181  -0.00200   5.96306
   R17        6.68565   0.00000  -0.00023  -0.00005  -0.00028   6.68538
   R18        6.57408  -0.00001  -0.00047   0.00051   0.00005   6.57413
   R19        6.21778   0.00000  -0.00021   0.00041   0.00020   6.21798
   R20        6.58425   0.00000   0.00028  -0.00045  -0.00016   6.58409
   R21        6.05011   0.00001  -0.00035  -0.00018  -0.00052   6.04959
   R22        7.00126   0.00003  -0.00020  -0.00012  -0.00032   7.00094
   R23        6.01262  -0.00002  -0.00003  -0.00085  -0.00087   6.01175
   R24        2.34971  -0.00002   0.00001  -0.00007  -0.00006   2.34965
   R25        2.57175  -0.00006   0.00003  -0.00010  -0.00007   2.57168
   R26        2.09473   0.00000  -0.00001   0.00003   0.00002   2.09475
   R27        2.76516   0.00003   0.00010   0.00004   0.00014   2.76529
   R28        2.76818   0.00001   0.00004   0.00006   0.00009   2.76827
   R29        2.07647   0.00002  -0.00001   0.00003   0.00002   2.07649
   R30        2.08306  -0.00014   0.00016  -0.00050  -0.00034   2.08271
   R31        2.08315  -0.00003   0.00001  -0.00009  -0.00008   2.08307
   R32        2.08100  -0.00005   0.00000  -0.00005  -0.00004   2.08096
   R33        2.07461   0.00000   0.00000   0.00000   0.00000   2.07461
   R34        2.08362  -0.00002   0.00000  -0.00006  -0.00006   2.08357
   R35        2.34876  -0.00001   0.00000  -0.00001  -0.00001   2.34875
   R36        2.57195  -0.00002   0.00003  -0.00009  -0.00006   2.57190
   R37        2.09416   0.00000   0.00000  -0.00001  -0.00001   2.09415
   R38        2.76864  -0.00003   0.00000  -0.00007  -0.00007   2.76858
   R39        2.76525  -0.00003   0.00004  -0.00011  -0.00007   2.76518
   R40        2.08221  -0.00006   0.00004  -0.00017  -0.00012   2.08208
   R41        2.08400   0.00001   0.00000   0.00001   0.00001   2.08401
   R42        2.07417  -0.00001  -0.00001  -0.00003  -0.00003   2.07413
   R43        2.08321   0.00000   0.00000  -0.00001  -0.00001   2.08320
   R44        2.08359  -0.00003  -0.00002   0.00001  -0.00001   2.08358
   R45        2.07661   0.00000   0.00000   0.00002   0.00002   2.07663
   R46        2.34845  -0.00001  -0.00001   0.00000  -0.00001   2.34844
   R47        2.57191  -0.00004   0.00000  -0.00009  -0.00009   2.57181
   R48        2.09347   0.00001   0.00000   0.00002   0.00002   2.09350
   R49        2.76470   0.00006   0.00003   0.00009   0.00012   2.76483
   R50        2.76861   0.00003   0.00003   0.00005   0.00008   2.76869
   R51        2.08438   0.00000   0.00000   0.00001   0.00000   2.08438
   R52        2.08218   0.00004  -0.00003   0.00011   0.00008   2.08226
   R53        2.07599  -0.00001   0.00000  -0.00001  -0.00002   2.07598
   R54        2.08521   0.00000  -0.00001   0.00000   0.00000   2.08521
   R55        2.07384  -0.00003  -0.00001  -0.00006  -0.00007   2.07377
   R56        2.07797   0.00000  -0.00001  -0.00002  -0.00003   2.07794
   R57        2.34926  -0.00028  -0.00008  -0.00012  -0.00020   2.34906
   R58        2.57221  -0.00006   0.00003   0.00013   0.00016   2.57237
   R59        2.09505   0.00000  -0.00001  -0.00003  -0.00004   2.09501
   R60        2.77120  -0.00016   0.00005  -0.00047  -0.00042   2.77077
   R61        2.76444   0.00013  -0.00003   0.00026   0.00023   2.76467
   R62        2.07450   0.00000  -0.00001   0.00002   0.00001   2.07451
   R63        2.08315   0.00007   0.00000   0.00016   0.00016   2.08331
   R64        2.08005   0.00005   0.00003   0.00002   0.00005   2.08010
   R65        2.07609   0.00000   0.00000   0.00002   0.00001   2.07610
   R66        2.08550  -0.00009  -0.00002  -0.00004  -0.00006   2.08544
   R67        2.08252  -0.00006  -0.00001  -0.00010  -0.00010   2.08242
    A1        0.67995  -0.00001   0.00006   0.00016   0.00022   0.68017
    A2        0.95689  -0.00003   0.00011   0.00016   0.00027   0.95716
    A3        0.72687   0.00001   0.00002   0.00020   0.00022   0.72709
    A4        1.01928  -0.00002   0.00004   0.00015   0.00018   1.01946
    A5        2.34596   0.00001  -0.00004   0.00010   0.00006   2.34602
    A6        2.02793   0.00001  -0.00011   0.00010  -0.00001   2.02792
    A7        1.98453   0.00001  -0.00018   0.00004  -0.00014   1.98439
    A8        1.69236   0.00002  -0.00019   0.00015  -0.00005   1.69231
    A9        1.65688   0.00001  -0.00007   0.00018   0.00011   1.65699
   A10        1.37552   0.00002  -0.00008   0.00021   0.00013   1.37565
   A11        1.72927   0.00000   0.00012   0.00007   0.00018   1.72946
   A12        2.03370   0.00000   0.00011   0.00011   0.00022   2.03392
   A13        1.93933   0.00000   0.00010   0.00021   0.00031   1.93964
   A14        2.02652   0.00001   0.00016   0.00024   0.00040   2.02692
   A15        2.42825   0.00000   0.00011   0.00008   0.00019   2.42844
   A16        1.58723   0.00001  -0.00017   0.00061   0.00044   1.58767
   A17        1.78555  -0.00002   0.00000   0.00066   0.00065   1.78620
   A18        1.56252  -0.00001   0.00018   0.00064   0.00082   1.56334
   A19        1.69930   0.00000   0.00018   0.00062   0.00080   1.70010
   A20        2.18928   0.00000   0.00002   0.00072   0.00074   2.19001
   A21        2.40808  -0.00001   0.00010   0.00059   0.00069   2.40876
   A22        0.64286  -0.00001   0.00004   0.00012   0.00017   0.64302
   A23        0.65991  -0.00002   0.00004   0.00000   0.00004   0.65995
   A24        2.39602   0.00000   0.00003  -0.00001   0.00002   2.39605
   A25        2.22565  -0.00001  -0.00008   0.00000  -0.00008   2.22556
   A26        2.32664  -0.00001  -0.00017   0.00001  -0.00016   2.32647
   A27        2.06363   0.00000  -0.00019   0.00016  -0.00003   2.06360
   A28        1.81780  -0.00001  -0.00008   0.00005  -0.00003   1.81777
   A29        1.57765   0.00000  -0.00010   0.00009  -0.00001   1.57764
   A30        1.33637   0.00001   0.00010   0.00000   0.00010   1.33647
   A31        1.63508   0.00000   0.00010   0.00003   0.00014   1.63521
   A32        1.58510   0.00000   0.00012   0.00012   0.00024   1.58534
   A33        1.73624   0.00001   0.00020   0.00017   0.00037   1.73661
   A34        2.03196   0.00001   0.00010   0.00002   0.00013   2.03208
   A35        1.85050   0.00001  -0.00021   0.00084   0.00062   1.85113
   A36        1.91636  -0.00001  -0.00005   0.00089   0.00084   1.91721
   A37        1.56732   0.00001   0.00007   0.00089   0.00096   1.56828
   A38        1.58258   0.00002   0.00009   0.00081   0.00090   1.58348
   A39        2.27108   0.00002   0.00006   0.00094   0.00100   2.27208
   A40        2.36491   0.00002   0.00016   0.00066   0.00081   2.36573
   A41        0.68892   0.00000   0.00004   0.00011   0.00015   0.68907
   A42        0.74721  -0.00003   0.00008   0.00003   0.00011   0.74732
   A43        2.65878   0.00000   0.00010   0.00010   0.00021   2.65899
   A44        2.60389   0.00000  -0.00002   0.00019   0.00017   2.60405
   A45        2.66275   0.00000  -0.00013   0.00021   0.00008   2.66283
   A46        2.35857   0.00001  -0.00013   0.00031   0.00018   2.35875
   A47        2.19610   0.00000  -0.00003   0.00024   0.00021   2.19631
   A48        1.96255   0.00001  -0.00005   0.00029   0.00024   1.96279
   A49        1.09313   0.00000   0.00011  -0.00005   0.00005   1.09319
   A50        1.45260  -0.00001   0.00010  -0.00003   0.00008   1.45267
   A51        1.55302   0.00000   0.00016   0.00018   0.00034   1.55336
   A52        1.78766   0.00001   0.00023   0.00029   0.00052   1.78818
   A53        1.77946   0.00000   0.00007  -0.00010  -0.00004   1.77942
   A54        1.70999   0.00001  -0.00026   0.00074   0.00048   1.71047
   A55        1.64484  -0.00001  -0.00011   0.00071   0.00060   1.64544
   A56        1.24430   0.00001  -0.00003   0.00072   0.00069   1.24498
   A57        1.20955   0.00001   0.00001   0.00061   0.00063   1.21017
   A58        1.93888   0.00001   0.00003   0.00070   0.00074   1.93962
   A59        1.98758   0.00001   0.00011   0.00042   0.00053   1.98811
   A60        0.84044  -0.00002  -0.00007  -0.00007  -0.00014   0.84030
   A61        0.77745  -0.00004  -0.00007  -0.00015  -0.00022   0.77723
   A62        2.59814   0.00001  -0.00007  -0.00016  -0.00023   2.59791
   A63        2.76927  -0.00001  -0.00014  -0.00008  -0.00023   2.76904
   A64        2.61626   0.00000   0.00000   0.00036   0.00036   2.61662
   A65        2.39525  -0.00001  -0.00014   0.00003  -0.00012   2.39513
   A66        2.20196  -0.00001  -0.00012   0.00014   0.00003   2.20199
   A67        0.85070   0.00002   0.00000  -0.00010  -0.00011   0.85059
   A68        1.22640   0.00001  -0.00003  -0.00012  -0.00014   1.22626
   A69        1.40588   0.00001   0.00000   0.00005   0.00005   1.40593
   A70        1.67623   0.00002   0.00006   0.00014   0.00019   1.67643
   A71        1.51616   0.00002  -0.00003  -0.00015  -0.00018   1.51598
   A72        1.72572   0.00000  -0.00008   0.00085   0.00077   1.72649
   A73        1.55571   0.00000   0.00002   0.00083   0.00085   1.55656
   A74        1.12637   0.00002   0.00004   0.00087   0.00091   1.12728
   A75        1.01434   0.00003   0.00006   0.00076   0.00082   1.01516
   A76        1.77240   0.00002   0.00015   0.00077   0.00093   1.77333
   A77        1.76355   0.00003   0.00018   0.00047   0.00065   1.76420
   A78        1.99717   0.00000   0.00005   0.00003   0.00008   1.99725
   A79        1.94289   0.00000  -0.00005   0.00005   0.00000   1.94289
   A80        2.22233   0.00000  -0.00012   0.00005  -0.00008   2.22226
   A81        2.08276   0.00001  -0.00016   0.00022   0.00006   2.08282
   A82        1.55485   0.00001  -0.00008   0.00009   0.00002   1.55487
   A83        1.38965   0.00001  -0.00011   0.00014   0.00003   1.38968
   A84        1.19664   0.00000   0.00001  -0.00019  -0.00018   1.19646
   A85        1.38128   0.00000   0.00005  -0.00011  -0.00006   1.38122
   A86        1.21359   0.00000   0.00007  -0.00001   0.00007   1.21366
   A87        1.31846   0.00000   0.00018   0.00010   0.00027   1.31873
   A88        1.80785   0.00000   0.00006  -0.00009  -0.00003   1.80782
   A89        2.28125   0.00001  -0.00019   0.00085   0.00066   2.28191
   A90        2.32684  -0.00002  -0.00007   0.00084   0.00078   2.32762
   A91        1.93270   0.00001   0.00000   0.00082   0.00082   1.93352
   A92        1.85440   0.00001  -0.00001   0.00069   0.00068   1.85507
   A93        2.61256   0.00000   0.00008   0.00072   0.00080   2.61336
   A94        2.55446   0.00002   0.00015   0.00021   0.00036   2.55482
   A95        1.91241   0.00003   0.00003   0.00006   0.00009   1.91250
   A96        1.99406   0.00002  -0.00008   0.00004  -0.00004   1.99402
   A97        2.37090   0.00002  -0.00014   0.00000  -0.00014   2.37077
   A98        2.32917   0.00001  -0.00020   0.00017  -0.00003   2.32915
   A99        1.66603   0.00002  -0.00014   0.00007  -0.00007   1.66596
   A100       1.57450   0.00002  -0.00017   0.00010  -0.00007   1.57443
   A101       0.89066   0.00000   0.00003  -0.00018  -0.00016   0.89050
   A102       1.05900   0.00001   0.00006  -0.00006   0.00000   1.05899
   A103       0.92746   0.00002   0.00008   0.00010   0.00018   0.92763
   A104       1.08685   0.00003   0.00017   0.00022   0.00039   1.08724
   A105       1.48547   0.00001   0.00008  -0.00005   0.00003   1.48550
   A106       2.45642  -0.00002  -0.00018   0.00077   0.00059   2.45701
   A107       2.33039  -0.00004  -0.00004   0.00065   0.00060   2.33100
   A108       1.89807  -0.00001  -0.00003   0.00069   0.00066   1.89873
   A109       1.72508  -0.00001  -0.00003   0.00057   0.00054   1.72563
   A110       2.45022  -0.00001   0.00014   0.00037   0.00051   2.45074
   A111       2.29039   0.00001   0.00017   0.00003   0.00020   2.29059
   A112       0.71412  -0.00001  -0.00002  -0.00013  -0.00014   0.71398
   A113       1.00610  -0.00002  -0.00001  -0.00017  -0.00018   1.00592
   A114       0.69596  -0.00001   0.00000  -0.00011  -0.00011   0.69585
   A115       0.98388  -0.00001   0.00000  -0.00015  -0.00015   0.98373
   A116       1.80695   0.00000  -0.00006  -0.00012  -0.00018   1.80676
   A117       1.42614   0.00001  -0.00003  -0.00008  -0.00012   1.42602
   A118       1.19440   0.00000  -0.00007  -0.00023  -0.00030   1.19410
   A119       0.92212  -0.00001  -0.00012  -0.00030  -0.00042   0.92170
   A120       1.25028   0.00000   0.00000  -0.00003  -0.00003   1.25025
   A121       1.91150  -0.00001   0.00015  -0.00081  -0.00066   1.91084
   A122       1.95876   0.00001   0.00001  -0.00088  -0.00087   1.95789
   A123       2.31731  -0.00001  -0.00011  -0.00087  -0.00098   2.31633
   A124       2.23678  -0.00001  -0.00014  -0.00073  -0.00088   2.23590
   A125       1.61566  -0.00001  -0.00009  -0.00093  -0.00102   1.61464
   A126       1.48333  -0.00001  -0.00014  -0.00071  -0.00085   1.48248
   A127       0.65691  -0.00002   0.00000  -0.00006  -0.00007   0.65684
   A128       0.66121  -0.00001  -0.00001  -0.00009  -0.00010   0.66111
   A129       2.17186   0.00000  -0.00011  -0.00022  -0.00033   2.17153
   A130       1.79924   0.00001  -0.00007  -0.00016  -0.00023   1.79900
   A131       1.50780  -0.00001  -0.00013  -0.00032  -0.00045   1.50734
   A132       1.21640  -0.00002  -0.00017  -0.00039  -0.00056   1.21584
   A133       1.64376   0.00000   0.00000  -0.00009  -0.00009   1.64367
   A134       1.75693   0.00000   0.00022  -0.00061  -0.00038   1.75655
   A135       1.95769   0.00002   0.00013  -0.00072  -0.00060   1.95710
   A136       2.38754  -0.00001   0.00010  -0.00078  -0.00069   2.38685
   A137       2.46950  -0.00001   0.00001  -0.00080  -0.00078   2.46872
   A138       1.72615  -0.00001  -0.00003  -0.00081  -0.00084   1.72531
   A139       1.69088  -0.00001  -0.00008  -0.00062  -0.00071   1.69017
   A140       0.70487  -0.00001   0.00000  -0.00006  -0.00007   0.70481
   A141       0.83270  -0.00001  -0.00001  -0.00010  -0.00011   0.83259
   A142       2.49808  -0.00001  -0.00002  -0.00020  -0.00022   2.49786
   A143       2.11898   0.00000  -0.00001  -0.00018  -0.00019   2.11879
   A144       1.90397  -0.00001  -0.00010  -0.00037  -0.00047   1.90350
   A145       1.62075  -0.00002  -0.00016  -0.00044  -0.00060   1.62014
   A146       1.83563  -0.00001   0.00006  -0.00010  -0.00005   1.83559
   A147       1.33162   0.00001   0.00024  -0.00052  -0.00028   1.33134
   A148       1.57207   0.00002   0.00017  -0.00056  -0.00039   1.57168
   A149       2.00285  -0.00001   0.00018  -0.00062  -0.00044   2.00242
   A150       2.18294  -0.00001   0.00016  -0.00063  -0.00046   2.18247
   A151       1.43106   0.00000   0.00002  -0.00059  -0.00057   1.43049
   A152       1.49402  -0.00002  -0.00002  -0.00040  -0.00042   1.49360
   A153       0.76797  -0.00001   0.00000   0.00004   0.00004   0.76801
   A154       0.76893  -0.00001   0.00000   0.00005   0.00005   0.76898
   A155       2.81010  -0.00002  -0.00004  -0.00028  -0.00033   2.80977
   A156       2.42836  -0.00001  -0.00003  -0.00025  -0.00028   2.42809
   A157       2.16381  -0.00002  -0.00014  -0.00038  -0.00052   2.16329
   A158       1.87131  -0.00003  -0.00017  -0.00045  -0.00062   1.87069
   A159       2.14513  -0.00002   0.00006  -0.00020  -0.00014   2.14499
   A160       1.19412   0.00002   0.00025  -0.00040  -0.00015   1.19397
   A161       1.51985   0.00002   0.00021  -0.00044  -0.00023   1.51962
   A162       1.91688   0.00000   0.00027  -0.00048  -0.00022   1.91666
   A163       2.17788   0.00000   0.00026  -0.00051  -0.00026   2.17762
   A164       1.50276   0.00000   0.00005  -0.00049  -0.00044   1.50231
   A165       1.64343  -0.00002   0.00002  -0.00036  -0.00034   1.64309
   A166       2.16403   0.00000  -0.00020  -0.00030  -0.00050   2.16353
   A167       1.86537   0.00000  -0.00014  -0.00023  -0.00037   1.86500
   A168       1.48116  -0.00001  -0.00019  -0.00037  -0.00056   1.48060
   A169       1.20218  -0.00002  -0.00018  -0.00043  -0.00061   1.20157
   A170       1.87139  -0.00001  -0.00005  -0.00016  -0.00022   1.87117
   A171       1.96173   0.00001   0.00025  -0.00035  -0.00010   1.96163
   A172       2.26806   0.00001   0.00019  -0.00053  -0.00034   2.26771
   A173       2.68402  -0.00001   0.00026  -0.00048  -0.00023   2.68380
   A174       2.11509  -0.00001  -0.00001  -0.00078  -0.00078   2.11431
   A175       2.09912  -0.00002  -0.00008  -0.00067  -0.00075   2.09837
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   A177       2.05396   0.00000  -0.00017  -0.00023  -0.00040   2.05356
   A178       1.64481  -0.00001  -0.00021  -0.00035  -0.00056   1.64425
   A179       1.39384  -0.00002  -0.00017  -0.00040  -0.00058   1.39327
   A180       2.13826  -0.00001  -0.00008  -0.00018  -0.00025   2.13800
   A181       1.89429   0.00001   0.00024  -0.00012   0.00012   1.89441
   A182       2.26883   0.00001   0.00023  -0.00024  -0.00001   2.26882
   A183       2.58713  -0.00001   0.00035   0.00002   0.00037   2.58750
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   A185       2.31703  -0.00002  -0.00005  -0.00058  -0.00064   2.31639
   A186       0.69094   0.00001   0.00001   0.00007   0.00008   0.69102
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   A191       1.40458   0.00001  -0.00011   0.00049   0.00038   1.40496
   A192       1.09882   0.00001  -0.00009   0.00046   0.00036   1.09918
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   A194       1.40709   0.00002   0.00014   0.00015   0.00029   1.40738
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   A197       1.85778  -0.00001  -0.00005  -0.00005  -0.00009   1.85769
   A198       1.64058   0.00001  -0.00018   0.00014  -0.00004   1.64054
   A199       1.32075   0.00000  -0.00016   0.00011  -0.00005   1.32069
   A200       1.60829  -0.00001   0.00008  -0.00016  -0.00008   1.60821
   A201       1.34096   0.00002   0.00007  -0.00019  -0.00012   1.34084
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   A250       1.90941  -0.00003   0.00002  -0.00017  -0.00015   1.90926
   A251       1.92794   0.00000   0.00002  -0.00014  -0.00012   1.92782
   A252       1.91033   0.00005   0.00003   0.00045   0.00048   1.91080
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   A271       1.69400   0.00000  -0.00005  -0.00008  -0.00012   1.69388
   A272       1.92448  -0.00001   0.00004  -0.00004   0.00000   1.92448
   A273       1.91350  -0.00001   0.00000  -0.00003  -0.00003   1.91346
   A274       1.91342   0.00000  -0.00001   0.00001  -0.00001   1.91342
   A275       1.89451   0.00000   0.00000  -0.00002  -0.00002   1.89450
   A276       1.91084   0.00001  -0.00001   0.00002   0.00001   1.91084
   A277       1.90690   0.00000  -0.00001   0.00007   0.00006   1.90695
   A278       1.80236   0.00008   0.00015   0.00035   0.00050   1.80286
   A279       1.75631   0.00000   0.00001   0.00031   0.00032   1.75664
   A280       2.18936   0.00003  -0.00006   0.00020   0.00014   2.18950
   A281       2.13091  -0.00003   0.00000  -0.00020  -0.00020   2.13071
   A282       1.96284   0.00000   0.00005   0.00000   0.00006   1.96289
   A283       2.12293   0.00001  -0.00001   0.00001   0.00000   2.12293
   A284       2.11503   0.00002  -0.00002   0.00006   0.00004   2.11508
   A285       2.04251  -0.00003   0.00003  -0.00013  -0.00010   2.04241
   A286       2.69637  -0.00002   0.00024  -0.00028  -0.00005   2.69633
   A287       1.66322   0.00003  -0.00023   0.00029   0.00006   1.66328
   A288       1.92638  -0.00001  -0.00001  -0.00003  -0.00004   1.92634
   A289       1.91491   0.00002   0.00002  -0.00001   0.00001   1.91492
   A290       1.91243   0.00000   0.00001  -0.00004  -0.00003   1.91240
   A291       1.89184  -0.00003   0.00001  -0.00007  -0.00006   1.89177
   A292       1.91234   0.00000  -0.00001  -0.00003  -0.00004   1.91231
   A293       1.90571   0.00002  -0.00001   0.00019   0.00017   1.90588
   A294       1.35012   0.00003  -0.00040   0.00051   0.00011   1.35023
   A295       1.15220   0.00000   0.00030   0.00001   0.00031   1.15250
   A296       1.93279  -0.00001   0.00001  -0.00012  -0.00010   1.93269
   A297       1.90668  -0.00001   0.00004   0.00000   0.00003   1.90671
   A298       1.90209   0.00001  -0.00008   0.00013   0.00005   1.90214
   A299       1.90953  -0.00001  -0.00001   0.00001   0.00000   1.90953
   A300       1.89809   0.00000   0.00004   0.00002   0.00006   1.89815
   A301       1.91458   0.00001  -0.00001  -0.00003  -0.00003   1.91455
   A302       1.64749   0.00000   0.00001  -0.00056  -0.00055   1.64694
   A303       1.80478  -0.00001  -0.00006   0.00054   0.00048   1.80526
   A304       2.19042  -0.00006  -0.00002  -0.00034  -0.00036   2.19006
   A305       2.12921   0.00002  -0.00006   0.00039   0.00033   2.12954
   A306       1.96317   0.00004   0.00008  -0.00005   0.00003   1.96320
   A307       2.12574   0.00004   0.00006  -0.00007  -0.00001   2.12573
   A308       2.12375  -0.00008  -0.00007  -0.00014  -0.00021   2.12354
   A309       2.03047   0.00004   0.00001   0.00018   0.00018   2.03065
   A310       1.30896   0.00007   0.00057   0.00012   0.00069   1.30966
   A311       3.04291  -0.00001  -0.00058   0.00028  -0.00029   3.04262
   A312       1.91027   0.00005   0.00005   0.00055   0.00060   1.91087
   A313       1.92647   0.00000   0.00019   0.00014   0.00030   1.92678
   A314       1.90372  -0.00001   0.00004   0.00009   0.00012   1.90384
   A315       1.91367  -0.00006  -0.00007  -0.00065  -0.00071   1.91296
   A316       1.91169   0.00004  -0.00001  -0.00006  -0.00007   1.91162
   A317       1.89790  -0.00002  -0.00020  -0.00007  -0.00026   1.89764
   A318       1.78393  -0.00004  -0.00024  -0.00097  -0.00121   1.78272
   A319       1.91631   0.00001  -0.00001  -0.00008  -0.00009   1.91622
   A320       1.91490  -0.00004  -0.00004  -0.00039  -0.00042   1.91448
   A321       1.92028  -0.00001   0.00003   0.00020   0.00023   1.92051
   A322       1.90759  -0.00004  -0.00001  -0.00039  -0.00040   1.90719
   A323       1.90984   0.00004   0.00000   0.00037   0.00037   1.91021
   A324       1.89472   0.00004   0.00003   0.00029   0.00031   1.89503
   A325       2.94142  -0.00002  -0.00007   0.00020   0.00012   2.94155
   A326       3.35617   0.00001   0.00011   0.00080   0.00091   3.35708
   A327       3.07481   0.00002   0.00011   0.00082   0.00093   3.07575
   A328       3.19738   0.00002   0.00044   0.00105   0.00149   3.19887
   A329       3.27168   0.00000   0.00007   0.00054   0.00061   3.27229
   A330       3.25965   0.00002  -0.00041   0.00052   0.00011   3.25976
   A331       3.69377   0.00000  -0.00024  -0.00060  -0.00084   3.69293
   A332       3.21772  -0.00002  -0.00021  -0.00030  -0.00050   3.21721
   A333       2.97997  -0.00001   0.00026  -0.00029  -0.00003   2.97994
   A334       2.91252  -0.00001   0.00031  -0.00026   0.00005   2.91257
   A335       3.22857  -0.00001   0.00016   0.00041   0.00057   3.22914
   A336       3.07672   0.00000  -0.00009  -0.00024  -0.00032   3.07640
   A337       3.10146   0.00002   0.00017   0.00032   0.00049   3.10195
   A338       3.04509  -0.00001   0.00005  -0.00034  -0.00029   3.04480
    D1        2.75852  -0.00001  -0.00007   0.00010   0.00003   2.75855
    D2       -1.36018  -0.00001   0.00015  -0.00025  -0.00010  -1.36028
    D3        2.78210  -0.00001  -0.00029  -0.00012  -0.00041   2.78169
    D4       -1.33661  -0.00001  -0.00007  -0.00047  -0.00053  -1.33714
    D5        1.66211   0.00000  -0.00008   0.00018   0.00010   1.66221
    D6       -2.45660   0.00000   0.00014  -0.00017  -0.00003  -2.45663
    D7        1.84253   0.00002  -0.00016   0.00018   0.00001   1.84254
    D8       -2.27618   0.00002   0.00006  -0.00017  -0.00012  -2.27630
    D9        0.32384   0.00000  -0.00027   0.00000  -0.00027   0.32357
   D10        2.48832  -0.00001  -0.00004  -0.00035  -0.00040   2.48792
   D11        0.03470   0.00000  -0.00013   0.00012  -0.00001   0.03468
   D12        2.19917   0.00000   0.00009  -0.00023  -0.00014   2.19903
   D13       -0.43562   0.00001  -0.00008   0.00018   0.00010  -0.43552
   D14        1.72886   0.00000   0.00014  -0.00017  -0.00003   1.72883
   D15       -0.55884   0.00001  -0.00005   0.00014   0.00010  -0.55874
   D16        1.60564   0.00001   0.00018  -0.00021  -0.00003   1.60561
   D17        0.21272   0.00000  -0.00005   0.00020   0.00015   0.21287
   D18        2.37720   0.00000   0.00017  -0.00015   0.00002   2.37722
   D19        0.14527   0.00000   0.00000   0.00022   0.00023   0.14550
   D20        2.30975   0.00000   0.00022  -0.00013   0.00010   2.30985
   D21        2.40475   0.00000  -0.00024  -0.00005  -0.00030   2.40445
   D22       -1.71396   0.00000  -0.00002  -0.00040  -0.00042  -1.71438
   D23        2.16119   0.00001  -0.00022   0.00007  -0.00015   2.16104
   D24       -1.95752   0.00001   0.00000  -0.00028  -0.00028  -1.95780
   D25        1.72048   0.00000  -0.00028  -0.00011  -0.00039   1.72009
   D26       -2.39822   0.00000  -0.00006  -0.00046  -0.00052  -2.39874
   D27        1.41474  -0.00001  -0.00030  -0.00021  -0.00051   1.41423
   D28       -2.70397  -0.00001  -0.00008  -0.00056  -0.00064  -2.70461
   D29        2.37053   0.00001  -0.00015   0.00025   0.00010   2.37063
   D30       -1.74818   0.00001   0.00008  -0.00010  -0.00003  -1.74821
   D31       -1.75213  -0.00001  -0.00028   0.00048   0.00020  -1.75193
   D32        0.41235  -0.00001  -0.00006   0.00013   0.00007   0.41242
   D33       -2.10377  -0.00001  -0.00022   0.00049   0.00027  -2.10350
   D34        0.06071  -0.00001   0.00000   0.00014   0.00014   0.06085
   D35       -2.47733   0.00002  -0.00033   0.00054   0.00021  -2.47712
   D36       -0.31286   0.00002  -0.00011   0.00019   0.00008  -0.31277
   D37       -2.76725   0.00001  -0.00031   0.00049   0.00018  -2.76707
   D38       -0.60277   0.00001  -0.00009   0.00014   0.00005  -0.60272
   D39       -2.13250   0.00000   0.00002   0.00056   0.00059  -2.13192
   D40        0.03197   0.00000   0.00024   0.00021   0.00046   0.03243
   D41       -2.37689   0.00003   0.00011   0.00030   0.00041  -2.37649
   D42       -0.21242   0.00003   0.00033  -0.00005   0.00028  -0.21214
   D43        1.26181  -0.00001   0.00029   0.00041   0.00070   1.26251
   D44       -1.92235  -0.00002   0.00036  -0.00052  -0.00016  -1.92251
   D45        2.45599   0.00000   0.00025   0.00055   0.00080   2.45678
   D46       -0.72816   0.00000   0.00032  -0.00039  -0.00007  -0.72823
   D47        2.94155   0.00000   0.00018   0.00046   0.00064   2.94220
   D48       -0.24260   0.00000   0.00025  -0.00047  -0.00022  -0.24282
   D49        2.87067  -0.00001   0.00018   0.00083   0.00101   2.87169
   D50       -0.31348  -0.00001   0.00025  -0.00010   0.00015  -0.31333
   D51        2.05248   0.00000   0.00016   0.00073   0.00089   2.05337
   D52       -1.13167   0.00000   0.00023  -0.00020   0.00003  -1.13164
   D53        1.15724   0.00001   0.00028   0.00054   0.00082   1.15805
   D54       -2.02692   0.00001   0.00035  -0.00039  -0.00004  -2.02696
   D55        1.01319   0.00001   0.00035   0.00040   0.00075   1.01394
   D56       -2.17096   0.00001   0.00042  -0.00053  -0.00011  -2.17107
   D57        2.02269   0.00000   0.00030   0.00070   0.00101   2.02370
   D58       -1.16146   0.00000   0.00037  -0.00023   0.00014  -1.16132
   D59        1.82638   0.00000   0.00035   0.00065   0.00100   1.82738
   D60       -1.35777   0.00000   0.00042  -0.00028   0.00013  -1.35764
   D61       -2.27523   0.00000   0.00012   0.00024   0.00036  -2.27487
   D62        0.82381   0.00000   0.00019  -0.00070  -0.00050   0.82330
   D63       -2.41124   0.00000   0.00020   0.00042   0.00061  -2.41062
   D64        0.68780   0.00000   0.00027  -0.00052  -0.00025   0.68755
   D65       -2.81327  -0.00001   0.00018   0.00036   0.00054  -2.81274
   D66        0.28576  -0.00001   0.00025  -0.00058  -0.00033   0.28543
   D67       -2.99021  -0.00001   0.00024   0.00037   0.00061  -2.98960
   D68        0.10882  -0.00002   0.00031  -0.00056  -0.00025   0.10857
   D69       -2.13563   0.00000   0.00027   0.00054   0.00081  -2.13482
   D70        0.96341   0.00000   0.00034  -0.00040  -0.00005   0.96335
   D71       -0.16158  -0.00002   0.00022   0.00031   0.00053  -0.16105
   D72        2.93745  -0.00002   0.00029  -0.00062  -0.00034   2.93712
   D73       -0.55974   0.00000   0.00017   0.00029   0.00046  -0.55928
   D74        2.53929  -0.00001   0.00024  -0.00064  -0.00040   2.53889
   D75       -0.72585   0.00001  -0.00003   0.00046   0.00043  -0.72541
   D76        2.37319   0.00001   0.00004  -0.00047  -0.00043   2.37276
   D77       -1.06381   0.00000  -0.00001   0.00052   0.00051  -1.06330
   D78        2.03522   0.00000   0.00006  -0.00041  -0.00036   2.03487
   D79       -0.84578  -0.00001   0.00032   0.00015   0.00047  -0.84531
   D80        2.25326  -0.00001   0.00039  -0.00078  -0.00040   2.25286
   D81       -1.14878   0.00002   0.00030   0.00008   0.00038  -1.14840
   D82        1.95026   0.00001   0.00037  -0.00086  -0.00048   1.94977
   D83       -1.53244  -0.00001   0.00015   0.00040   0.00055  -1.53190
   D84       -2.60798   0.00000   0.00009   0.00034   0.00043  -2.60754
   D85       -2.94595   0.00002  -0.00009   0.00021   0.00013  -2.94582
   D86        0.74054   0.00000   0.00003   0.00044   0.00046   0.74100
   D87        0.31603   0.00000   0.00004   0.00050   0.00055   0.31658
   D88       -0.05853   0.00001   0.00000   0.00059   0.00059  -0.05794
   D89       -0.39794   0.00002   0.00006   0.00057   0.00063  -0.39732
   D90        0.18621   0.00000   0.00013   0.00053   0.00065   0.18686
   D91       -0.05267   0.00001   0.00016   0.00053   0.00069  -0.05198
   D92        2.40920   0.00000  -0.00006   0.00020   0.00015   2.40935
   D93        2.06036   0.00001  -0.00001   0.00028   0.00027   2.06063
   D94        1.66727  -0.00001  -0.00005   0.00010   0.00005   1.66732
   D95        1.38010  -0.00002  -0.00003   0.00007   0.00004   1.38014
   D96        2.06253   0.00000   0.00006   0.00038   0.00043   2.06296
   D97       -1.89554  -0.00002  -0.00006   0.00053   0.00046  -1.89508
   D98       -2.43505  -0.00001  -0.00003   0.00012   0.00009  -2.43495
   D99       -2.64873   0.00001  -0.00019   0.00023   0.00004  -2.64869
   D100      -2.97602   0.00000  -0.00016   0.00015  -0.00001  -2.97603
   D101      -2.90727  -0.00002   0.00018  -0.00071  -0.00053  -2.90779
   D102       2.84588   0.00001   0.00003  -0.00083  -0.00080   2.84508
   D103      -2.90825   0.00000   0.00039   0.00012   0.00052  -2.90773
   D104       1.18970   0.00000   0.00041   0.00010   0.00051   1.19022
   D105       2.80185   0.00001   0.00039  -0.00003   0.00036   2.80221
   D106       0.61662   0.00002   0.00041  -0.00006   0.00036   0.61698
   D107       2.29994   0.00000   0.00032  -0.00040  -0.00007   2.29987
   D108       0.11471   0.00000   0.00034  -0.00042  -0.00007   0.11463
   D109       1.74199   0.00004   0.00029  -0.00021   0.00008   1.74207
   D110      -0.44324   0.00004   0.00031  -0.00023   0.00007  -0.44317
   D111       2.58510   0.00000   0.00030  -0.00016   0.00014   2.58524
   D112       0.39987   0.00000   0.00032  -0.00019   0.00013   0.40000
   D113       2.24884   0.00000   0.00032  -0.00013   0.00019   2.24903
   D114       0.06361   0.00000   0.00034  -0.00015   0.00018   0.06379
   D115      -1.61194   0.00000   0.00006  -0.00011  -0.00005  -1.61199
   D116       2.48601   0.00000   0.00008  -0.00013  -0.00005   2.48596
   D117      -1.77059   0.00000   0.00007   0.00005   0.00012  -1.77047
   D118       2.32737   0.00000   0.00009   0.00002   0.00012   2.32748
   D119      -2.73507  -0.00001   0.00006  -0.00018  -0.00012  -2.73519
   D120       1.36289  -0.00001   0.00008  -0.00020  -0.00012   1.36276
   D121      -2.69743   0.00000   0.00007  -0.00012  -0.00005  -2.69748
   D122       1.40052   0.00000   0.00009  -0.00014  -0.00005   1.40047
   D123       1.32275   0.00000   0.00031   0.00010   0.00040   1.32315
   D124      -0.86248   0.00000   0.00033   0.00007   0.00040  -0.86208
   D125       1.29317   0.00000   0.00028   0.00001   0.00029   1.29346
   D126      -0.89206   0.00000   0.00030  -0.00001   0.00029  -0.89177
   D127       1.64845   0.00001   0.00030   0.00006   0.00037   1.64881
   D128      -0.53678   0.00001   0.00032   0.00004   0.00036  -0.53642
   D129       1.77370   0.00001   0.00023   0.00010   0.00033   1.77403
   D130      -0.41153   0.00001   0.00024   0.00008   0.00032  -0.41121
   D131       0.89303   0.00000   0.00024  -0.00004   0.00020   0.89323
   D132      -1.29220   0.00000   0.00026  -0.00007   0.00020  -1.29201
   D133      -0.95656   0.00001   0.00028   0.00020   0.00047  -0.95609
   D134       3.14139   0.00001   0.00030   0.00017   0.00047  -3.14132
   D135      -0.52977   0.00000   0.00034   0.00005   0.00040  -0.52938
   D136      -2.71501   0.00000   0.00036   0.00003   0.00039  -2.71461
   D137      -0.23884  -0.00002   0.00054  -0.00026   0.00028  -0.23856
   D138      -2.42407  -0.00002   0.00056  -0.00028   0.00028  -2.42379
   D139       0.16962  -0.00002   0.00046  -0.00046   0.00000   0.16962
   D140      -2.01561  -0.00002   0.00048  -0.00048   0.00000  -2.01561
   D141      -0.30901   0.00000   0.00019   0.00004   0.00023  -0.30878
   D142      -2.49424   0.00000   0.00021   0.00002   0.00023  -2.49402
   D143      -0.05752  -0.00002   0.00019   0.00011   0.00029  -0.05723
   D144      -2.24275  -0.00002   0.00021   0.00008   0.00029  -2.24246
   D145      -2.47856   0.00001   0.00007  -0.00016  -0.00009  -2.47865
   D146      -2.72863  -0.00001   0.00010  -0.00040  -0.00030  -2.72893
   D147      -2.40682  -0.00001   0.00008  -0.00023  -0.00015  -2.40697
   D148       2.99741  -0.00001   0.00015  -0.00044  -0.00029   2.99712
   D149       2.61207   0.00002   0.00020  -0.00041  -0.00021   2.61186
   D150       1.51249   0.00000  -0.00008  -0.00032  -0.00040   1.51209
   D151       2.61419   0.00000  -0.00006  -0.00037  -0.00043   2.61376
   D152       2.98962   0.00000  -0.00006  -0.00037  -0.00043   2.98919
   D153       1.17315   0.00000   0.00034   0.00010   0.00044   1.17359
   D154       1.23740   0.00000   0.00018  -0.00015   0.00004   1.23743
   D155       1.62939   0.00001   0.00015  -0.00018  -0.00003   1.62937
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   D157       0.88812   0.00000   0.00009  -0.00023  -0.00014   0.88798
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   D212       2.23203  -0.00004  -0.00003  -0.00049  -0.00052   2.23151
   D213       0.01819  -0.00003  -0.00010  -0.00055  -0.00065   0.01754
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   D216      -2.39435   0.00000  -0.00006  -0.00037  -0.00043  -2.39478
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   D224       3.05675   0.00001   0.00005  -0.00009  -0.00004   3.05670
   D225       0.84291   0.00002  -0.00002  -0.00015  -0.00017   0.84273
   D226      -2.71503  -0.00001   0.00007  -0.00018  -0.00010  -2.71514
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   D228      -2.66025  -0.00001   0.00018  -0.00018   0.00000  -2.66025
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   D230      -1.56796  -0.00001   0.00016  -0.00010   0.00007  -1.56789
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   D232      -0.07891  -0.00002   0.00019  -0.00126  -0.00107  -0.07998
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   D235      -2.42362   0.00001  -0.00003  -0.00123  -0.00126  -2.42488
   D236       0.07294  -0.00001  -0.00009  -0.00113  -0.00122   0.07172
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   D251      -0.82740   0.00002  -0.00016  -0.00014  -0.00030  -0.82769
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   D264      -1.30884   0.00001  -0.00017   0.00013  -0.00004  -1.30888
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   D266      -1.54763   0.00001  -0.00017   0.00018   0.00001  -1.54762
   D267       1.37137   0.00001  -0.00024   0.00006  -0.00019   1.37118
   D268       1.97782  -0.00001  -0.00008   0.00020   0.00012   1.97795
   D269      -1.38637  -0.00001  -0.00015   0.00008  -0.00007  -1.38644
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   D372       0.68525   0.00000  -0.00035  -0.00003  -0.00037   0.68487
   D373      -1.85744   0.00001  -0.00104   0.00517   0.00412  -1.85331
   D374       0.95665  -0.00002  -0.00026  -0.00006  -0.00032   0.95633
   D375      -1.58604  -0.00001  -0.00096   0.00514   0.00418  -1.58186
   D376       0.71260  -0.00001  -0.00016   0.00004  -0.00011   0.71248
   D377      -1.83009   0.00000  -0.00086   0.00524   0.00438  -1.82570
   D378       1.05375  -0.00002  -0.00018   0.00007  -0.00010   1.05365
   D379      -1.48894  -0.00001  -0.00087   0.00527   0.00440  -1.48454
   D380      -2.73796   0.00001  -0.00038   0.00004  -0.00034  -2.73830
   D381       1.00254   0.00002  -0.00108   0.00524   0.00416   1.00670
   D382      -2.18728   0.00000  -0.00045  -0.00054  -0.00099  -2.18827
   D383       1.55322   0.00001  -0.00114   0.00465   0.00351   1.55673
   D384      -1.95246  -0.00001  -0.00022  -0.00042  -0.00064  -1.95310
   D385       1.78804   0.00000  -0.00092   0.00478   0.00386   1.79190
   D386      -1.62432  -0.00002  -0.00017  -0.00055  -0.00072  -1.62504
   D387       2.11618  -0.00001  -0.00087   0.00465   0.00378   2.11996
   D388      -1.67682  -0.00001  -0.00059  -0.00175  -0.00234  -1.67916
   D389       2.06368   0.00000  -0.00129   0.00345   0.00216   2.06584
   D390      -1.10617  -0.00003  -0.00022  -0.00171  -0.00193  -1.10810
   D391       2.63433  -0.00002  -0.00092   0.00349   0.00257   2.63690
   D392       1.80565   0.00000  -0.00020  -0.00024  -0.00044   1.80521
   D393      -0.73703   0.00001  -0.00090   0.00495   0.00405  -0.73298
   D394       2.10702  -0.00001  -0.00018  -0.00002  -0.00020   2.10682
   D395      -0.43567   0.00000  -0.00087   0.00518   0.00430  -0.43136
   D396       2.05714   0.00000  -0.00011   0.00048   0.00038   2.05751
   D397      -0.48555   0.00001  -0.00080   0.00568   0.00488  -0.48067
   D398       2.26079   0.00001   0.00002   0.00094   0.00096   2.26175
   D399      -0.28190   0.00002  -0.00068   0.00614   0.00546  -0.27644
   D400       2.50599   0.00000  -0.00018  -0.00016  -0.00034   2.50565
   D401      -0.03670   0.00001  -0.00088   0.00504   0.00416  -0.03253
   D402      -1.53217  -0.00003   0.00016  -0.00038  -0.00022  -1.53239
   D403       2.20833  -0.00001  -0.00054   0.00482   0.00428   2.21261
   D404      -2.62958  -0.00003   0.00016  -0.00042  -0.00026  -2.62985
   D405       1.11092  -0.00001  -0.00054   0.00477   0.00423   1.11515
   D406      -2.97939   0.00001   0.00009  -0.00045  -0.00037  -2.97976
   D407       0.76111   0.00002  -0.00061   0.00474   0.00413   0.76524
   D408       1.92362   0.00000  -0.00051   0.00021  -0.00031   1.92332
   D409       2.42047  -0.00001  -0.00050   0.00058   0.00008   2.42055
   D410       2.64866   0.00000  -0.00042   0.00070   0.00028   2.64894
   D411       2.88034  -0.00001  -0.00027   0.00079   0.00052   2.88085
   D412       2.85093   0.00002  -0.00047   0.00148   0.00101   2.85194
   D413      -2.93816  -0.00003  -0.00036   0.00145   0.00109  -2.93707
   D414      -0.74838   0.00000  -0.00032   0.00049   0.00017  -0.74821
   D415      -0.36770   0.00000  -0.00034   0.00035   0.00001  -0.36769
   D416      -0.05673  -0.00001  -0.00030   0.00047   0.00017  -0.05657
   D417       0.25198  -0.00002  -0.00032   0.00038   0.00006   0.25204
   D418      -0.23442  -0.00001  -0.00041   0.00001  -0.00039  -0.23481
   D419       0.07671  -0.00002  -0.00044  -0.00031  -0.00075   0.07596
   D420      -2.55811   0.00000  -0.00026   0.00066   0.00040  -2.55772
   D421      -2.17598  -0.00001  -0.00028   0.00061   0.00032  -2.17565
   D422      -1.93175   0.00001  -0.00020   0.00108   0.00088  -1.93087
   D423      -1.61846   0.00002  -0.00015   0.00114   0.00100  -1.61746
   D424      -1.96229   0.00000  -0.00035   0.00023  -0.00013  -1.96241
   D425       1.30806   0.00001   0.00004   0.00037   0.00041   1.30848
   D426       2.47277  -0.00002   0.00009   0.00021   0.00030   2.47307
   D427       2.94683  -0.00001   0.00000   0.00027   0.00027   2.94709
   D428      -3.07398  -0.00003  -0.00032   0.00079   0.00047  -3.07350
   D429       0.03624  -0.00006  -0.00034  -0.00149  -0.00182   0.03441
   D430       0.03938  -0.00005  -0.00005   0.00017   0.00012   0.03950
   D431      -3.13360  -0.00008  -0.00007  -0.00211  -0.00217  -3.13577
   D432      -0.07771  -0.00002   0.00052  -0.00091  -0.00038  -0.07809
   D433       2.02140  -0.00002   0.00048  -0.00102  -0.00054   2.02086
   D434      -2.17440  -0.00002   0.00051  -0.00089  -0.00038  -2.17478
   D435       3.09369   0.00000   0.00054   0.00124   0.00178   3.09547
   D436      -1.09038   0.00000   0.00050   0.00112   0.00162  -1.08876
   D437       0.99700   0.00001   0.00052   0.00126   0.00178   0.99879
   D438      -2.37278   0.00001   0.00033   0.00192   0.00225  -2.37053
   D439      -0.28269   0.00002   0.00035   0.00216   0.00252  -0.28017
   D440       1.82424   0.00002   0.00038   0.00218   0.00256   1.82680
   D441       0.73898  -0.00001   0.00032  -0.00024   0.00008   0.73906
   D442       2.82908  -0.00001   0.00034   0.00000   0.00034   2.82942
   D443      -1.34718  -0.00001   0.00036   0.00002   0.00038  -1.34680
   D444       0.00116  -0.00002   0.00002  -0.00028  -0.00026   0.00090
   D445       3.11506  -0.00001   0.00000  -0.00027  -0.00027   3.11479
   D446      -3.11875  -0.00001   0.00005  -0.00024  -0.00019  -3.11894
   D447      -0.00485  -0.00001   0.00003  -0.00022  -0.00020  -0.00505
   D448       2.41478   0.00001  -0.00010  -0.00044  -0.00055   2.41423
   D449      -1.78428   0.00000  -0.00010  -0.00054  -0.00064  -1.78492
   D450       0.32298   0.00001  -0.00009  -0.00054  -0.00064   0.32234
   D451      -0.70045   0.00001  -0.00008  -0.00046  -0.00053  -0.70098
   D452       1.38368   0.00000  -0.00008  -0.00055  -0.00063   1.38305
   D453      -2.79225   0.00000  -0.00007  -0.00055  -0.00062  -2.79287
   D454       2.05921   0.00000  -0.00004  -0.00006  -0.00010   2.05910
   D455      -2.13910  -0.00001  -0.00002  -0.00013  -0.00015  -2.13924
   D456      -0.04581   0.00000  -0.00004  -0.00007  -0.00010  -0.04591
   D457      -1.10870   0.00000  -0.00006  -0.00005  -0.00011  -1.10882
   D458       0.97618  -0.00001  -0.00004  -0.00012  -0.00016   0.97602
   D459       3.06947   0.00000  -0.00006  -0.00005  -0.00012   3.06935
   D460      -3.08898   0.00007   0.00009   0.00011   0.00020  -3.08878
   D461      -0.02883   0.00005   0.00002  -0.00072  -0.00071  -0.02953
   D462       0.06609   0.00001   0.00009  -0.00009   0.00000   0.06608
   D463       3.12624  -0.00001   0.00001  -0.00092  -0.00091   3.12533
   D464       1.93816   0.00000  -0.00044  -0.00016  -0.00059   1.93757
   D465      -2.26137  -0.00003  -0.00042  -0.00027  -0.00070  -2.26207
   D466      -0.16929   0.00001  -0.00042  -0.00008  -0.00050  -0.16979
   D467      -1.12522   0.00002  -0.00036   0.00063   0.00027  -1.12495
   D468       0.95843  -0.00001  -0.00035   0.00052   0.00017   0.95860
   D469       3.05051   0.00003  -0.00035   0.00071   0.00037   3.05088
   D470      -1.64285   0.00002   0.00069   0.00047   0.00116  -1.64168
   D471       0.46146   0.00000   0.00071   0.00041   0.00112   0.46257
   D472       2.55310   0.00002   0.00068   0.00045   0.00113   2.55423
   D473       1.42091   0.00000   0.00062  -0.00032   0.00030   1.42121
   D474      -2.75797  -0.00002   0.00064  -0.00038   0.00026  -2.75771
   D475      -0.66632   0.00000   0.00061  -0.00034   0.00026  -0.66606
   D476       0.00788  -0.00001   0.00004   0.00034   0.00038   0.00826
   D477      -3.04425  -0.00002  -0.00002   0.00087   0.00085  -3.04340
   D478       3.12020   0.00000   0.00006   0.00035   0.00041   3.12061
   D479       0.06807  -0.00001   0.00000   0.00088   0.00088   0.06895
   D480      -0.30207   0.00005   0.00059   0.00011   0.00071  -0.30137
   D481       1.80569   0.00000   0.00066  -0.00025   0.00041   1.80610
   D482      -2.39333  -0.00003   0.00055  -0.00020   0.00035  -2.39298
   D483       2.75458   0.00005   0.00064  -0.00041   0.00024   2.75482
   D484      -1.42085   0.00000   0.00071  -0.00077  -0.00006  -1.42091
   D485       0.66332  -0.00002   0.00060  -0.00072  -0.00012   0.66320
   D486      -0.09189   0.00005   0.00013   0.00092   0.00106  -0.09084
   D487       2.00491  -0.00002   0.00009   0.00015   0.00025   2.00516
   D488      -2.19486   0.00000   0.00012   0.00039   0.00051  -2.19434
   D489       3.13454   0.00003   0.00008   0.00144   0.00151   3.13605
   D490      -1.05185  -0.00004   0.00004   0.00067   0.00071  -1.05114
   D491       1.03157  -0.00002   0.00007   0.00090   0.00097   1.03254
         Item               Value     Threshold  Converged?
 Maximum Force            0.000279     0.000450     YES
 RMS     Force            0.000022     0.000300     YES
 Maximum Displacement     0.004677     0.001800     NO 
 RMS     Displacement     0.000616     0.001200     YES
 Predicted change in Energy=-1.562329D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:50:29 2016, MaxMem=  2952790016 cpu:         7.8
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.829524   -0.591925    1.669379
      2          6           0       -2.069459    1.118151   -1.364621
      3          8           0       -2.621959    0.139511   -1.896606
      4          7           0       -0.778299    1.160321   -0.936708
      5          1           0       -2.614238    2.062310   -1.163279
      6          6           0       -0.235405    2.329666   -0.244438
      7          1           0       -0.990080    3.127990   -0.220409
      8          1           0        0.043370    2.057999    0.786659
      9          1           0        0.662353    2.691661   -0.771779
     10          6           0        0.128938    0.022909   -1.107479
     11          1           0        0.693876   -0.131736   -0.174977
     12          1           0       -0.455175   -0.878261   -1.335407
     13          1           0        0.841978    0.218185   -1.925474
     14          6           0       -2.003443   -4.001536    2.613935
     15          8           0       -2.121578   -3.851321    3.842058
     16          7           0       -2.947932   -3.691933    1.684216
     17          1           0       -1.074088   -4.395799    2.156868
     18          6           0       -4.246396   -3.127817    2.061291
     19          1           0       -4.509245   -2.328361    1.350150
     20          1           0       -5.030953   -3.902123    2.027893
     21          1           0       -4.183280   -2.713325    3.075639
     22          6           0       -2.703990   -3.874307    0.252995
     23          1           0       -3.415350   -4.605115   -0.165490
     24          1           0       -2.838984   -2.913730   -0.271176
     25          1           0       -1.676690   -4.231590    0.096168
     26          6           0        1.550980    0.381676    2.612951
     27          8           0        1.373033    1.399287    3.303752
     28          7           0        1.175029   -0.880629    2.955616
     29          1           0        2.037147    0.423303    1.618367
     30          6           0        1.484602   -2.030825    2.106012
     31          1           0        2.232230   -2.678502    2.594057
     32          1           0        0.571160   -2.622650    1.934217
     33          1           0        1.875155   -1.680808    1.140719
     34          6           0        0.531625   -1.157614    4.242438
     35          1           0        1.278832   -1.461247    4.995483
     36          1           0        0.011176   -0.255498    4.588258
     37          1           0       -0.191523   -1.975645    4.112067
     38          6           0       -4.605698    1.098639    2.909325
     39          8           0       -4.855407    1.671365    1.834682
     40          7           0       -3.532380    1.350116    3.707898
     41          1           0       -5.247054    0.285405    3.304767
     42          6           0       -2.535706    2.369137    3.364288
     43          1           0       -2.624160    2.623687    2.300092
     44          1           0       -2.685785    3.274655    3.974930
     45          1           0       -1.529509    1.970413    3.564836
     46          6           0       -3.253033    0.543216    4.895857
     47          1           0       -4.066669   -0.177479    5.055780
     48          1           0       -2.303977   -0.003193    4.759498
     49          1           0       -3.159746    1.193499    5.780596
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.491000   0.000000
     3  O    3.725479   1.243383   0.000000
     4  N    3.311666   1.360876   2.315716   0.000000
     5  H    3.960390   1.108494   2.057908   2.058055   0.000000
     6  C    3.839219   2.467049   3.636217   1.463331   2.564097
     7  H    4.256023   2.552202   3.795217   2.104675   2.159298
     8  H    3.362889   3.158380   4.240811   2.109729   3.296233
     9  H    4.790682   3.207833   4.308759   2.108952   3.359376
    10  C    3.453192   2.469540   2.864218   1.464906   3.418667
    11  H    3.159268   3.257836   3.745976   2.101653   4.090745
    12  H    3.316559   2.567573   2.458811   2.102186   3.652142
    13  H    4.551502   3.098542   3.464950   2.119098   3.990886
    14  C    3.542299   6.484170   6.154332   6.383793   7.170122
    15  O    3.928039   7.197769   7.007808   7.053904   7.763191
    16  N    3.295620   5.762294   5.254380   5.926291   6.428911
    17  H    3.908681   6.617801   6.276590   6.366174   7.423113
    18  C    3.524999   5.874025   5.383231   6.277247   6.324493
    19  H    3.209053   5.020058   4.493736   5.596479   5.402441
    20  H    4.618992   6.744090   6.126969   7.245845   7.183213
    21  H    3.466709   6.234128   5.941348   6.534368   6.575486
    22  C    3.680335   5.286203   4.553926   5.520069   6.103876
    23  H    4.689060   6.000426   5.112505   6.386633   6.789103
    24  H    3.189912   4.247806   3.465746   4.613810   5.060369
    25  H    3.968062   5.559488   4.896040   5.562971   6.486785
    26  C    3.642257   5.428725   6.148834   4.316469   5.868005
    27  O    4.110046   5.807194   6.677628   4.760970   6.024309
    28  N    3.281021   5.760753   6.245146   4.809486   6.323348
    29  H    3.998054   5.123012   5.843187   3.872769   5.662092
    30  C    3.639302   5.881555   6.131488   4.956035   6.651504
    31  H    4.659043   6.970670   7.188212   6.022139   7.751202
    32  H    3.155515   5.643474   5.700943   4.937016   6.456787
    33  H    3.897409   5.447099   5.723892   4.407782   6.282833
    34  C    3.537748   6.586642   7.022498   5.823424   7.034638
    35  H    4.634714   7.636444   8.079572   6.804065   8.093318
    36  H    3.467162   6.453892   7.010198   5.757869   6.733885
    37  H    3.250301   6.564475   6.817994   5.972329   7.071343
    38  C    3.478881   4.969859   5.286976   5.426302   4.634725
    39  O    3.782297   4.278211   4.610572   4.956266   3.763435
    40  N    3.290411   5.284353   5.805592   5.403087   5.007850
    41  H    3.888922   5.709095   5.828095   6.222971   5.482021
    42  C    3.484149   4.913749   5.714514   4.800862   4.538631
    43  H    3.371855   4.000556   4.876824   4.003188   3.508586
    44  H    4.582487   5.791474   6.656436   5.677420   5.279781
    45  H    3.201303   5.031643   5.862848   4.635133   4.851819
    46  C    3.704738   6.397263   6.833650   6.365841   6.279238
    47  H    4.079742   6.847558   7.107977   6.965127   6.767784
    48  H    3.181281   6.230349   6.665223   6.010675   6.280275
    49  H    4.675396   7.228314   7.767852   7.127030   7.019245
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098833   0.000000
     8  H    1.102125   1.796409   0.000000
     9  H    1.102315   1.795808   1.792595   0.000000
    10  C    2.489722   3.417693   2.781488   2.742164   0.000000
    11  H    2.631898   3.669276   2.478475   2.885954   1.101195
    12  H    3.395483   4.192779   3.656957   3.782973   1.097837
    13  H    2.906026   3.838053   3.373181   2.735207   1.102576
    14  C    7.168010   7.738899   6.651793   7.960428   5.881507
    15  O    7.646024   8.154429   6.995893   8.476341   6.676256
    16  N    6.880201   7.346573   6.543334   7.734102   5.573216
    17  H    7.190378   7.890875   6.691614   7.862842   5.623896
    18  C    7.154618   7.412481   6.849779   8.123326   6.253937
    19  H    6.519634   6.680041   6.346966   7.513230   5.751621
    20  H    8.185106   8.414630   7.925431   9.150403   7.201452
    21  H    7.213902   7.428420   6.772705   8.215635   6.601566
    22  C    6.695568   7.224525   6.559347   7.449453   5.006462
    23  H    7.629513   8.104682   7.567458   8.380823   5.904907
    24  H    5.854275   6.318497   5.843378   6.627998   4.258146
    25  H    6.726321   7.398316   6.557005   7.359066   4.775962
    26  C    3.892366   4.693310   2.901429   4.193100   3.999065
    27  O    4.005288   4.581750   2.921928   4.334195   4.785515
    28  N    4.747174   5.553725   3.823684   5.188214   4.291786
    29  H    3.502678   4.456516   2.709080   3.570476   3.351391
    30  C    5.243751   6.176541   4.531702   5.591032   4.047490
    31  H    6.263228   7.212479   5.521978   6.529319   5.042106
    32  H    5.470148   6.336383   4.848085   5.964280   4.055424
    33  H    4.738885   5.760797   4.178454   4.924126   3.317578
    34  C    5.734240   6.371734   4.745626   6.322687   5.493396
    35  H    6.642342   7.308529   5.623670   7.133582   6.385227
    36  H    5.486239   5.964376   4.450332   6.151404   5.703753
    37  H    6.125093   6.742042   5.232953   6.809170   5.598265
    38  C    5.528209   5.194823   5.199991   6.621223   6.301483
    39  O    5.108866   4.613665   5.024525   6.187109   6.018091
    40  N    5.239324   5.005569   4.671266   6.281961   6.193108
    41  H    6.472441   6.215223   6.121401   7.571618   6.959750
    42  C    4.279701   3.976791   3.659591   5.238191   5.709800
    43  H    3.502461   3.045893   3.118686   4.499131   5.094619
    44  H    4.969953   4.527449   4.369624   5.837907   6.657883
    45  H    4.039100   3.994877   3.193726   4.912299   5.326701
    46  C    6.222548   6.162645   5.481455   7.215827   6.910028
    47  H    7.004047   6.944761   6.333654   8.034678   7.458488
    48  H    5.895811   6.027446   5.053909   6.830547   6.351471
    49  H    6.792913   6.667966   5.995558   7.732176   7.722131
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795610   0.000000
    13  H    1.791261   1.798049   0.000000
    14  C    5.479865   5.267759   6.819729   0.000000
    15  O    6.156189   6.198559   7.655584   1.242903   0.000000
    16  N    5.421658   4.821692   6.533170   1.360988   2.316150
    17  H    5.171599   4.995209   6.451796   1.108176   2.057561
    18  C    6.195457   5.565197   7.278845   2.469745   2.865213
    19  H    5.850098   5.074494   6.771277   3.267370   3.772263
    20  H    7.200148   6.433760   8.191298   3.085311   3.429030
    21  H    6.404511   6.059996   7.671904   2.573780   2.476499
    22  C    5.073016   4.068966   5.836789   2.465966   3.636084
    23  H    6.074286   4.901100   6.669829   3.175372   4.278142
    24  H    4.497760   3.310327   5.108334   3.194576   4.279304
    25  H    4.743618   3.845299   5.498293   2.549283   3.791336
    26  C    2.961547   4.604523   4.596380   5.643268   5.737303
    27  O    3.860938   5.481913   5.387191   6.406663   6.330162
    28  N    3.254683   4.590256   5.014314   4.467605   4.525307
    29  H    2.308361   4.078054   3.745572   6.074268   6.364919
    30  C    3.071595   4.115155   4.660889   4.038335   4.396884
    31  H    4.064493   5.089568   5.545246   4.437538   4.678531
    32  H    3.266254   3.845348   4.800094   2.998654   3.521410
    33  H    2.350766   3.493669   3.751689   4.753911   5.289823
    34  C    4.537874   5.671346   6.327106   4.143246   3.802084
    35  H    5.370608   6.589903   7.135193   4.785203   4.313424
    36  H    4.813502   5.974539   6.583563   4.689290   4.246809
    37  H    4.750019   5.563159   6.506375   3.103496   2.704842
    38  C    6.253977   6.257213   7.336733   5.733304   5.616311
    39  O    6.171259   5.992670   6.979305   6.397089   6.481006
    40  N    5.927381   6.314252   7.221576   5.672265   5.391040
    41  H    6.897629   6.771074   8.027220   5.419975   5.212464
    42  C    5.404716   6.079583   6.634525   6.436755   6.252508
    43  H    4.972694   5.494087   5.971261   6.661635   6.675026
    44  H    6.344079   7.100846   7.523422   7.433765   7.149511
    45  H    4.832046   5.769013   6.231994   6.065724   5.858325
    46  C    6.461192   6.976908   7.962745   5.236737   4.658609
    47  H    7.072885   7.374365   8.543376   4.984267   4.330544
    48  H    5.775179   6.428972   7.391542   4.547583   3.960183
    49  H    7.216335   7.889511   8.737765   6.192993   5.503265
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056724   0.000000
    18  C    1.465068   3.417667   0.000000
    19  H    2.099673   4.089669   1.101790   0.000000
    20  H    2.121620   3.989628   1.102812   1.791156   0.000000
    21  H    2.102336   3.652661   1.097583   1.797711   1.797098
    22  C    1.463270   2.559935   2.491224   2.617754   2.926737
    23  H    2.115135   3.304340   2.798500   2.945739   2.813415
    24  H    2.107375   3.347653   2.732590   2.400234   3.326766
    25  H    2.104562   2.153271   3.418101   3.635673   3.884739
    26  C    6.139792   5.470216   6.799297   6.757610   7.874965
    27  O    6.871256   6.394276   7.322320   7.232781   8.410933
    28  N    5.149630   4.248876   5.936457   6.081482   6.964503
    29  H    6.464559   5.761381   7.231152   7.106254   8.296690
    30  C    4.752320   3.484621   5.835215   6.048641   6.779404
    31  H    5.356205   3.751265   6.516006   6.864211   7.387261
    32  H    3.686445   2.429089   4.845637   5.122329   5.747130
    33  H    5.253778   4.135429   6.357254   6.420572   7.308601
    34  C    5.007454   4.172980   5.609687   5.928436   6.586260
    35  H    5.814291   4.712278   6.474186   6.895084   7.387683
    36  H    5.385059   4.922555   5.723871   5.934333   6.728774
    37  H    4.054367   3.234018   4.687769   5.137637   5.610274
    38  C    5.215234   6.574748   4.325643   3.766253   5.095623
    39  O    5.694389   7.156302   4.842974   4.043812   5.579598
    40  N    5.464351   6.439289   4.824212   4.477102   5.714381
    41  H    4.871485   6.375342   3.767975   3.346142   4.383206
    42  C    6.303106   7.025564   5.902607   5.478878   6.880473
    43  H    6.353833   7.190023   5.980676   5.383189   6.960815
    44  H    7.338218   8.046041   6.862155   6.450447   7.797237
    45  H    6.132766   6.535934   5.969428   5.680064   7.007780
    46  C    5.323928   6.053406   4.743207   4.732448   5.580972
    47  H    4.997040   5.929035   4.207584   4.307420   4.896010
    48  H    4.845497   5.251790   4.562520   4.679025   5.486321
    49  H    6.379078   6.980087   5.804120   5.818376   6.599208
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391680   0.000000
    23  H    3.830601   1.102381   0.000000
    24  H    3.612266   1.102582   1.790015   0.000000
    25  H    4.179159   1.098906   1.797478   1.795167   0.000000
    26  C    6.532599   6.464329   7.566522   6.200780   6.167193
    27  O    6.916518   7.330759   8.427164   7.008802   7.162135
    28  N    5.664332   5.595807   6.684660   5.536965   5.247635
    29  H    7.117288   6.543094   7.628687   6.203452   6.146357
    30  C    5.790584   4.937246   5.982994   5.012378   4.344721
    31  H    6.433654   5.592566   6.574352   5.829417   4.891951
    32  H    4.890375   3.888414   4.922520   4.071556   3.319630
    33  H    6.443186   5.154422   6.184432   5.073130   4.495907
    34  C    5.100195   5.810790   6.847898   5.900649   5.614048
    35  H    5.923526   6.646572   7.652117   6.841331   6.357137
    36  H    5.091403   6.265972   7.297833   6.229262   6.231939
    37  H    4.189567   4.980948   5.966965   5.205946   4.839675
    38  C    3.838902   5.950022   6.588188   5.416269   6.701066
    39  O    4.606218   6.155063   6.743045   5.433571   6.926150
    40  N    4.163530   6.318004   7.105042   5.873177   6.902437
    41  H    3.190063   5.751842   6.270169   5.368486   6.591347
    42  C    5.350630   6.977754   7.865959   6.420067   7.415397
    43  H    5.613914   6.813289   7.678585   6.109055   7.262907
    44  H    6.237558   8.059825   8.931188   7.506597   8.509218
    45  H    5.405480   6.819710   7.791617   6.347012   7.107613
    46  C    3.844946   6.432116   7.221419   6.230581   6.951305
    47  H    3.219483   6.212099   6.876761   6.113161   6.837073
    48  H    3.702969   5.954335   6.831424   5.836535   6.326095
    49  H    4.860832   7.512971   8.309344   7.320939   7.996484
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242741   0.000000
    28  N    1.360945   2.314827   0.000000
    29  H    1.107830   2.057697   2.057115   0.000000
    30  C    2.466081   3.634928   1.463083   2.562391   0.000000
    31  H    3.135147   4.227322   2.116777   3.257487   1.103006
    32  H    3.232136   4.323726   2.107735   3.395101   1.101883
    33  H    2.554681   3.797081   2.103405   2.163718   1.098560
    34  C    2.462463   2.850761   1.465128   3.413450   2.496994
    35  H    3.024382   3.324678   2.123429   3.941000   2.952254
    36  H    2.584342   2.498584   2.100205   3.658630   3.388851
    37  H    3.292511   3.806754   2.098548   4.115879   2.614708
    38  C    6.205365   5.999265   6.110356   6.800738   6.894245
    39  O    6.581094   6.405127   6.643442   7.007978   7.346805
    40  N    5.289361   4.922279   5.263256   6.020362   6.258348
    41  H    6.833824   6.713143   6.536413   7.478138   7.219220
    42  C    4.606030   4.027718   4.949500   5.267399   6.091453
    43  H    4.749347   4.299308   5.209970   5.199445   6.211609
    44  H    5.307965   4.521226   5.762922   5.999140   7.002364
    45  H    3.594382   2.969696   3.976696   4.347795   5.217560
    46  C    5.321306   4.966703   5.039802   6.224333   6.070759
    47  H    6.151264   5.928419   5.690387   7.030883   6.553826
    48  H    4.429050   4.196016   4.015890   5.375310   5.050309
    49  H    5.734455   5.169447   5.574298   6.702615   6.743056
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788201   0.000000
    33  H    1.798635   1.793630   0.000000
    34  C    2.814661   2.734186   3.420448   0.000000
    35  H    2.856138   3.349777   3.906790   1.103444   0.000000
    36  H    3.844589   3.600128   4.170305   1.097393   1.796278
    37  H    2.944986   2.396525   3.631391   1.099598   1.790803
    38  C    7.818149   6.449704   7.270127   5.767145   6.747797
    39  O    8.350604   6.920701   7.551100   6.543739   7.578444
    40  N    7.120474   5.980624   6.709572   4.805267   5.719214
    41  H    8.076482   6.647316   7.699024   6.029483   6.963943
    42  C    6.986067   6.051087   6.387645   4.755801   5.646534
    43  H    7.196121   6.153698   6.333772   5.294330   6.259806
    44  H    7.844346   7.039205   7.306952   5.483456   6.260071
    45  H    6.058506   5.307349   5.549729   3.806832   4.659380
    46  C    6.765047   5.780871   6.733918   4.200407   4.956370
    47  H    7.210501   6.101842   7.272756   4.771425   5.497825
    48  H    5.694172   4.807305   5.777119   3.104945   3.875324
    49  H    7.363411   6.578547   7.425653   4.638953   5.231162
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796315   0.000000
    38  C    5.095884   5.512054   0.000000
    39  O    5.914272   6.343420   1.243072   0.000000
    40  N    3.988712   4.731318   1.361238   2.315715   0.000000
    41  H    5.439569   5.596648   1.108631   2.058015   2.058211
    42  C    3.856607   4.993145   2.471037   2.864890   1.466230
    43  H    4.524424   5.509522   2.573602   2.470220   2.104463
    44  H    4.484613   5.814275   3.091380   3.443612   2.119405
    45  H    2.894094   4.202504   3.263836   3.760912   2.101602
    46  C    3.374556   4.041266   2.466679   3.634709   1.463000
    47  H    4.105300   4.375014   2.554663   3.796816   2.106134
    48  H    2.335148   2.961789   3.151998   4.227113   2.108621
    49  H    3.684564   4.651645   3.216205   4.321326   2.111744
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420072   0.000000
    43  H    3.654656   1.097786   0.000000
    44  H    3.993099   1.102438   1.797954   0.000000
    45  H    4.089870   1.100742   1.795719   1.790586   0.000000
    46  C    2.564011   2.488825   3.385534   2.937794   2.603660
    47  H    2.161855   3.419101   4.185831   3.871990   3.643287
    48  H    3.295639   2.761930   3.612713   3.391992   2.433545
    49  H    3.363215   2.758640   3.800815   2.795761   2.858472
                   46         47         48         49
    46  C    0.000000
    47  H    1.098626   0.000000
    48  H    1.103569   1.795896   0.000000
    49  H    1.101968   1.796510   1.790824   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2146222      0.1946150      0.1849776
 Leave Link  202 at Mon Nov 14 03:50:29 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.7400522316 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1844227868 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.5556294448 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4034
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.19D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     219
 GePol: Fraction of low-weight points (<1% of avg)   =       5.43%
 GePol: Cavity surface area                          =    467.182 Ang**2
 GePol: Cavity volume                                =    458.133 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039804857 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.5516489591 Hartrees.
 Leave Link  301 at Mon Nov 14 03:50:29 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11986 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:50:31 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:50:31 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000051    0.000258   -0.000618
         Rot=    1.000000    0.000026   -0.000025    0.000019 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 03:50:31 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48819468.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   1826.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.07D-14 for   1899    991.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.33D-15 for   2824.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.66D-08 for   1661   1653.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.66D-15 for   1850.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.05D-14 for   2227    503.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.22D-15 for   2358.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.61D-16 for   1806   1790.
 E= -1013.45140004763    
 DIIS: error= 4.68D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45140004763     IErMin= 1 ErrMin= 4.68D-05
 ErrMax= 4.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-06 BMatP= 3.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=4.02D-04              OVMax= 4.25D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.06D-05    CP:  1.00D+00
 E= -1013.45140514233     Delta-E=       -0.000005094696 Rises=F Damp=F
 DIIS: error= 1.05D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45140514233     IErMin= 2 ErrMin= 1.05D-05
 ErrMax= 1.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.57D-08 BMatP= 3.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.405D-01 0.960D+00
 Coeff:      0.405D-01 0.960D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.63D-06 MaxDP=1.69D-04 DE=-5.09D-06 OVMax= 2.80D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.57D-06    CP:  1.00D+00  9.46D-01
 E= -1013.45140477330     Delta-E=        0.000000369029 Rises=F Damp=F
 DIIS: error= 2.90D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45140514233     IErMin= 2 ErrMin= 1.05D-05
 ErrMax= 2.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-07 BMatP= 9.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.555D-02 0.711D+00 0.284D+00
 Coeff:      0.555D-02 0.711D+00 0.284D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.96D-06 MaxDP=1.42D-04 DE= 3.69D-07 OVMax= 2.33D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.36D-07    CP:  1.00D+00  9.63D-01  2.94D-01
 E= -1013.45140521815     Delta-E=       -0.000000444848 Rises=F Damp=F
 DIIS: error= 3.56D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45140521815     IErMin= 4 ErrMin= 3.56D-06
 ErrMax= 3.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-08 BMatP= 9.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.141D-03 0.264D+00 0.159D+00 0.577D+00
 Coeff:      0.141D-03 0.264D+00 0.159D+00 0.577D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.42D-07 MaxDP=1.64D-05 DE=-4.45D-07 OVMax= 3.03D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.73D-07    CP:  1.00D+00  9.69D-01  3.35D-01  6.35D-01
 E= -1013.45140522684     Delta-E=       -0.000000008693 Rises=F Damp=F
 DIIS: error= 1.08D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45140522684     IErMin= 5 ErrMin= 1.08D-06
 ErrMax= 1.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-09 BMatP= 1.08D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.911D-05 0.130D+00 0.859D-01 0.365D+00 0.419D+00
 Coeff:     -0.911D-05 0.130D+00 0.859D-01 0.365D+00 0.419D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.45D-08 MaxDP=5.08D-06 DE=-8.69D-09 OVMax= 5.64D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.27D-08    CP:  1.00D+00  9.68D-01  3.29D-01  6.44D-01  6.89D-01
 E= -1013.45140522785     Delta-E=       -0.000000001005 Rises=F Damp=F
 DIIS: error= 1.95D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45140522785     IErMin= 6 ErrMin= 1.95D-07
 ErrMax= 1.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-11 BMatP= 1.21D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-04 0.523D-01 0.354D-01 0.155D+00 0.217D+00 0.540D+00
 Coeff:     -0.175D-04 0.523D-01 0.354D-01 0.155D+00 0.217D+00 0.540D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.90D-08 MaxDP=9.83D-07 DE=-1.01D-09 OVMax= 1.31D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.57D-08    CP:  1.00D+00  9.68D-01  3.29D-01  6.48D-01  6.97D-01
                    CP:  8.43D-01
 E= -1013.45140522790     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 7.00D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45140522790     IErMin= 7 ErrMin= 7.00D-08
 ErrMax= 7.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.56D-12 BMatP= 3.47D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.150D-04 0.107D-01 0.766D-02 0.349D-01 0.603D-01 0.302D+00
 Coeff-Com:  0.584D+00
 Coeff:     -0.150D-04 0.107D-01 0.766D-02 0.349D-01 0.603D-01 0.302D+00
 Coeff:      0.584D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.50D-09 MaxDP=3.07D-07 DE=-5.73D-11 OVMax= 5.26D-07

 Error on total polarization charges =  0.04320
 SCF Done:  E(RB97D) =  -1013.45140523     A.U. after    7 cycles
            NFock=  7  Conv=0.65D-08     -V/T= 2.0213
 KE= 9.923495101390D+02 PE=-6.030664702493D+03 EE= 2.175312138167D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:52:05 2016, MaxMem=  2952790016 cpu:      1066.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11986 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     359
 Leave Link  701 at Mon Nov 14 03:52:13 2016, MaxMem=  2952790016 cpu:        96.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:52:14 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:52:50 2016, MaxMem=  2952790016 cpu:       440.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23940636D+00-2.54293776D+00 3.32396158D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000309872    0.000162195   -0.000012003
      2        6           0.000038575    0.000050711    0.000066932
      3        8           0.000015147    0.000041443   -0.000051357
      4        7          -0.000023333    0.000023849   -0.000106770
      5        1           0.000010080    0.000007065    0.000081345
      6        6          -0.000005179   -0.000067009   -0.000001417
      7        1           0.000003870    0.000031453    0.000021172
      8        1          -0.000000871    0.000017078   -0.000088045
      9        1           0.000028254    0.000052794    0.000122917
     10        6           0.000091204    0.000007566    0.000018259
     11        1          -0.000022891    0.000132762   -0.000006648
     12        1           0.000015648    0.000040232    0.000003194
     13        1           0.000017796    0.000044057    0.000029833
     14        6          -0.000052453   -0.000017030   -0.000033537
     15        8           0.000001942   -0.000007373   -0.000039446
     16        7           0.000003640    0.000004053   -0.000058097
     17        1           0.000008962   -0.000015953   -0.000029375
     18        6           0.000034135   -0.000026840   -0.000045748
     19        1           0.000024127   -0.000072977   -0.000021267
     20        1           0.000004896   -0.000015597   -0.000053371
     21        1          -0.000009125   -0.000005297   -0.000046812
     22        6           0.000019418    0.000011430   -0.000007231
     23        1           0.000021522    0.000025136   -0.000069801
     24        1           0.000004076   -0.000039591    0.000025680
     25        1           0.000022247    0.000019952   -0.000029737
     26        6          -0.000075222   -0.000047480    0.000093030
     27        8           0.000074542    0.000008542    0.000034936
     28        7          -0.000045385    0.000075042   -0.000001307
     29        1          -0.000015909    0.000021070    0.000015914
     30        6          -0.000011431    0.000025178   -0.000047624
     31        1          -0.000028497   -0.000023480    0.000012387
     32        1          -0.000044055   -0.000056367   -0.000003344
     33        1           0.000034483    0.000004490    0.000021784
     34        6          -0.000043737   -0.000030653   -0.000001906
     35        1          -0.000012715   -0.000012002    0.000003446
     36        1          -0.000004075   -0.000030556    0.000033695
     37        1          -0.000012515   -0.000019797    0.000006302
     38        6          -0.000000517   -0.000055490   -0.000077279
     39        8           0.000054415    0.000020424    0.000164210
     40        7           0.000033679    0.000147649   -0.000201442
     41        1          -0.000006635   -0.000036099   -0.000000214
     42        6          -0.000386218   -0.000332732    0.000113462
     43        1           0.000001375    0.000059564    0.000036486
     44        1           0.000146406    0.000111736   -0.000068290
     45        1          -0.000034829   -0.000033062    0.000089626
     46        6           0.000028721   -0.000050732    0.000213974
     47        1          -0.000016107   -0.000046883   -0.000056756
     48        1          -0.000169615   -0.000054597   -0.000015248
     49        1          -0.000027718   -0.000047876   -0.000034512
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000386218 RMS     0.000075023
 Leave Link  716 at Mon Nov 14 03:52:51 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000142540 RMS     0.000014358
 Search for a local minimum.
 Step number  82 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .14358D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   56   60   61   62   64
                                                     65   66   67   68   69
                                                     70   71   72   73   74
                                                     75   76   77   78   79
                                                     80   81   82
 DE= -2.68D-06 DEPred=-1.56D-06 R= 1.71D+00
 TightC=F SS=  1.41D+00  RLast= 2.55D-02 DXNew= 5.9730D-01 7.6440D-02
 Trust test= 1.71D+00 RLast= 2.55D-02 DXMaxT set to 3.55D-01
 ITU=  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1
 ITU= -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1
 ITU=  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0
     Eigenvalues ---    0.00017   0.00061   0.00100   0.00113   0.00141
     Eigenvalues ---    0.00182   0.00206   0.00217   0.00285   0.00378
     Eigenvalues ---    0.00427   0.00448   0.00579   0.00658   0.00704
     Eigenvalues ---    0.00754   0.00832   0.00844   0.00956   0.01023
     Eigenvalues ---    0.01085   0.01125   0.01176   0.01221   0.01284
     Eigenvalues ---    0.01323   0.01468   0.01492   0.01537   0.01633
     Eigenvalues ---    0.01700   0.01738   0.01792   0.01826   0.01863
     Eigenvalues ---    0.01920   0.02038   0.02056   0.02120   0.02206
     Eigenvalues ---    0.02216   0.02335   0.02620   0.02683   0.02909
     Eigenvalues ---    0.03121   0.03272   0.03655   0.03873   0.04307
     Eigenvalues ---    0.04486   0.05051   0.05434   0.05626   0.05955
     Eigenvalues ---    0.06193   0.06284   0.06345   0.06402   0.06711
     Eigenvalues ---    0.07076   0.07313   0.07556   0.07720   0.07956
     Eigenvalues ---    0.08082   0.08172   0.08205   0.08316   0.08379
     Eigenvalues ---    0.08638   0.08755   0.08924   0.09137   0.09291
     Eigenvalues ---    0.09418   0.09652   0.09888   0.09957   0.10045
     Eigenvalues ---    0.10163   0.10429   0.10476   0.10824   0.10869
     Eigenvalues ---    0.11186   0.11271   0.11389   0.11780   0.13255
     Eigenvalues ---    0.13425   0.14248   0.14903   0.15127   0.15371
     Eigenvalues ---    0.15543   0.16112   0.21485   0.22417   0.22936
     Eigenvalues ---    0.23610   0.24532   0.24682   0.25636   0.26451
     Eigenvalues ---    0.26962   0.27416   0.28423   0.29256   0.29676
     Eigenvalues ---    0.29841   0.30791   0.32794   0.32824   0.32829
     Eigenvalues ---    0.32932   0.33301   0.33352   0.33358   0.33375
     Eigenvalues ---    0.33395   0.33421   0.33490   0.33534   0.33697
     Eigenvalues ---    0.33797   0.33818   0.33838   0.33927   0.33952
     Eigenvalues ---    0.34056   0.34200   0.34234   0.37281   0.39004
     Eigenvalues ---    0.40564   0.40848   0.85933   0.86148   0.86544
     Eigenvalues ---    0.89360
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    82   81   80   79   78
 RFO step:  Lambda=-7.27772773D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  8.15D-06 SmlDif=  1.00D-05
 RMS Error=  0.7973876839D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.53898   -1.36916   -0.19327   -0.06589    0.08934
 Iteration  1 RMS(Cart)=  0.00132512 RMS(Int)=  0.00000383
 Iteration  2 RMS(Cart)=  0.00000323 RMS(Int)=  0.00000115
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000115
 ITry= 1 IFail=0 DXMaxC= 1.03D-02 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59703   0.00000  -0.00263   0.00077  -0.00186   6.59517
    R2        6.25814   0.00002  -0.00005   0.00060   0.00055   6.25869
    R3        7.25507  -0.00002  -0.00280   0.00069  -0.00212   7.25295
    R4        6.35494   0.00001  -0.00259   0.00067  -0.00191   6.35303
    R5        6.52559   0.00005  -0.00027   0.00088   0.00061   6.52620
    R6        5.97015   0.00001  -0.00445  -0.00033  -0.00479   5.96536
    R7        6.69398   0.00000   0.00132   0.00088   0.00220   6.69617
    R8        6.22782   0.00001   0.00157   0.00108   0.00265   6.23047
    R9        6.66128   0.00001   0.00151   0.00091   0.00243   6.66371
   R10        6.06423   0.00001  -0.00105   0.00091  -0.00014   6.06409
   R11        6.95482   0.00001   0.00097   0.00093   0.00190   6.95672
   R12        6.02806   0.00001   0.00079   0.00060   0.00139   6.02945
   R13        6.88287   0.00002   0.00021   0.00121   0.00142   6.88429
   R14        6.20023  -0.00002  -0.00188  -0.00089  -0.00278   6.19745
   R15        6.87728  -0.00004  -0.00284  -0.00189  -0.00473   6.87256
   R16        5.96306  -0.00002  -0.00311  -0.00208  -0.00519   5.95787
   R17        6.68538   0.00001  -0.00025  -0.00090  -0.00116   6.68422
   R18        6.57413   0.00000   0.00036   0.00087   0.00123   6.57536
   R19        6.21798   0.00000   0.00047   0.00062   0.00110   6.21907
   R20        6.58409   0.00000  -0.00004  -0.00053  -0.00058   6.58351
   R21        6.04959   0.00000  -0.00123   0.00076  -0.00047   6.04911
   R22        7.00094   0.00002  -0.00107   0.00304   0.00197   7.00291
   R23        6.01175   0.00001  -0.00237   0.00247   0.00010   6.01185
   R24        2.34965   0.00002  -0.00008   0.00005  -0.00003   2.34962
   R25        2.57168  -0.00004  -0.00011   0.00005  -0.00005   2.57163
   R26        2.09475   0.00000   0.00003  -0.00003   0.00000   2.09475
   R27        2.76529   0.00000   0.00029   0.00016   0.00046   2.76575
   R28        2.76827   0.00000   0.00018   0.00007   0.00025   2.76853
   R29        2.07649   0.00001   0.00003  -0.00003   0.00001   2.07650
   R30        2.08271  -0.00006  -0.00074   0.00038  -0.00035   2.08236
   R31        2.08307  -0.00001  -0.00013   0.00004  -0.00009   2.08298
   R32        2.08096  -0.00003  -0.00001   0.00004   0.00003   2.08099
   R33        2.07461   0.00000   0.00000  -0.00001  -0.00001   2.07460
   R34        2.08357  -0.00001  -0.00009   0.00001  -0.00008   2.08349
   R35        2.34875   0.00000  -0.00001   0.00001   0.00001   2.34875
   R36        2.57190  -0.00001  -0.00008   0.00005  -0.00003   2.57186
   R37        2.09415   0.00000  -0.00003   0.00002  -0.00001   2.09414
   R38        2.76858  -0.00002  -0.00012  -0.00003  -0.00014   2.76843
   R39        2.76518  -0.00001  -0.00010   0.00002  -0.00008   2.76510
   R40        2.08208  -0.00003  -0.00023   0.00005  -0.00017   2.08191
   R41        2.08401   0.00001   0.00002   0.00001   0.00003   2.08404
   R42        2.07413   0.00000  -0.00007   0.00001  -0.00006   2.07407
   R43        2.08320   0.00000  -0.00001   0.00002   0.00000   2.08320
   R44        2.08358  -0.00003  -0.00006  -0.00016  -0.00022   2.08336
   R45        2.07663   0.00000   0.00003  -0.00002   0.00001   2.07664
   R46        2.34844   0.00000  -0.00001  -0.00001  -0.00002   2.34842
   R47        2.57181  -0.00002  -0.00017   0.00005  -0.00012   2.57170
   R48        2.09350   0.00001   0.00004   0.00001   0.00005   2.09355
   R49        2.76483   0.00004   0.00020   0.00009   0.00029   2.76512
   R50        2.76869   0.00001   0.00013   0.00004   0.00017   2.76886
   R51        2.08438   0.00000   0.00001  -0.00001   0.00000   2.08438
   R52        2.08226   0.00001   0.00016  -0.00002   0.00015   2.08240
   R53        2.07598   0.00000  -0.00002   0.00001  -0.00001   2.07596
   R54        2.08521   0.00000  -0.00001  -0.00001  -0.00002   2.08519
   R55        2.07377  -0.00001  -0.00011   0.00003  -0.00008   2.07369
   R56        2.07794   0.00000  -0.00004   0.00000  -0.00005   2.07789
   R57        2.34906  -0.00014  -0.00033  -0.00009  -0.00042   2.34864
   R58        2.57237  -0.00008   0.00031  -0.00002   0.00029   2.57266
   R59        2.09501   0.00001  -0.00005   0.00007   0.00001   2.09502
   R60        2.77077  -0.00011  -0.00072   0.00014  -0.00058   2.77019
   R61        2.76467   0.00009   0.00034   0.00001   0.00035   2.76502
   R62        2.07451   0.00000   0.00002  -0.00003  -0.00001   2.07451
   R63        2.08331   0.00003   0.00025  -0.00003   0.00022   2.08353
   R64        2.08010   0.00003   0.00017   0.00008   0.00025   2.08035
   R65        2.07610   0.00000   0.00002  -0.00005  -0.00003   2.07607
   R66        2.08544  -0.00007  -0.00008  -0.00010  -0.00018   2.08526
   R67        2.08242  -0.00004  -0.00016  -0.00002  -0.00018   2.08223
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    A2        0.95716  -0.00002   0.00029   0.00004   0.00033   0.95749
    A3        0.72709   0.00000   0.00037  -0.00003   0.00034   0.72743
    A4        1.01946  -0.00001   0.00031  -0.00007   0.00023   1.01969
    A5        2.34602   0.00001   0.00018  -0.00001   0.00017   2.34619
    A6        2.02792   0.00001   0.00004  -0.00006  -0.00002   2.02790
    A7        1.98439   0.00001  -0.00022  -0.00015  -0.00038   1.98401
    A8        1.69231   0.00001   0.00000  -0.00016  -0.00016   1.69214
    A9        1.65699   0.00001   0.00024   0.00003   0.00027   1.65726
   A10        1.37565   0.00001   0.00028   0.00012   0.00040   1.37605
   A11        1.72946   0.00000   0.00031   0.00023   0.00055   1.73000
   A12        2.03392   0.00000   0.00046   0.00024   0.00071   2.03463
   A13        1.93964   0.00000   0.00071   0.00032   0.00103   1.94067
   A14        2.02692   0.00000   0.00092   0.00032   0.00124   2.02816
   A15        2.42844   0.00000   0.00035   0.00022   0.00057   2.42901
   A16        1.58767   0.00000   0.00028   0.00036   0.00064   1.58831
   A17        1.78620  -0.00001   0.00071   0.00039   0.00111   1.78731
   A18        1.56334   0.00000   0.00111   0.00049   0.00160   1.56494
   A19        1.70010   0.00000   0.00117   0.00093   0.00210   1.70220
   A20        2.19001   0.00000   0.00089   0.00018   0.00107   2.19108
   A21        2.40876   0.00000   0.00093   0.00068   0.00161   2.41037
   A22        0.64302  -0.00001   0.00009  -0.00008   0.00001   0.64304
   A23        0.65995  -0.00001   0.00008  -0.00004   0.00003   0.65998
   A24        2.39605   0.00000   0.00012   0.00007   0.00018   2.39623
   A25        2.22556   0.00000  -0.00009  -0.00007  -0.00016   2.22540
   A26        2.32647   0.00000  -0.00027  -0.00020  -0.00047   2.32600
   A27        2.06360   0.00000   0.00002  -0.00023  -0.00021   2.06338
   A28        1.81777   0.00000  -0.00001  -0.00001  -0.00002   1.81775
   A29        1.57764   0.00000   0.00003   0.00007   0.00010   1.57774
   A30        1.33647   0.00001   0.00020   0.00025   0.00045   1.33692
   A31        1.63521   0.00001   0.00034   0.00028   0.00062   1.63583
   A32        1.58534   0.00001   0.00059   0.00041   0.00100   1.58634
   A33        1.73661   0.00001   0.00084   0.00047   0.00131   1.73792
   A34        2.03208   0.00001   0.00028   0.00027   0.00054   2.03263
   A35        1.85113   0.00000   0.00063   0.00040   0.00103   1.85216
   A36        1.91721  -0.00001   0.00112   0.00048   0.00160   1.91881
   A37        1.56828   0.00001   0.00142   0.00053   0.00195   1.57023
   A38        1.58348   0.00002   0.00142   0.00101   0.00243   1.58591
   A39        2.27208   0.00001   0.00148   0.00033   0.00181   2.27389
   A40        2.36573   0.00001   0.00138   0.00116   0.00254   2.36826
   A41        0.68907  -0.00001   0.00013  -0.00013  -0.00001   0.68906
   A42        0.74732  -0.00002   0.00007  -0.00012  -0.00005   0.74728
   A43        2.65899   0.00000   0.00029   0.00006   0.00035   2.65934
   A44        2.60405   0.00000   0.00018  -0.00009   0.00008   2.60414
   A45        2.66283   0.00000   0.00004  -0.00015  -0.00011   2.66273
   A46        2.35875   0.00001   0.00027  -0.00012   0.00015   2.35890
   A47        2.19631   0.00000   0.00024  -0.00004   0.00020   2.19651
   A48        1.96279   0.00001   0.00032   0.00005   0.00037   1.96316
   A49        1.09319   0.00001   0.00013   0.00029   0.00042   1.09361
   A50        1.45267   0.00000   0.00021   0.00026   0.00047   1.45314
   A51        1.55336   0.00000   0.00064   0.00043   0.00107   1.55444
   A52        1.78818   0.00001   0.00094   0.00050   0.00144   1.78962
   A53        1.77942   0.00001   0.00000   0.00018   0.00019   1.77961
   A54        1.71047   0.00000   0.00060   0.00050   0.00110   1.71157
   A55        1.64544  -0.00001   0.00095   0.00057   0.00151   1.64695
   A56        1.24498   0.00001   0.00116   0.00057   0.00173   1.24671
   A57        1.21017   0.00001   0.00114   0.00103   0.00217   1.21234
   A58        1.93962   0.00001   0.00128   0.00043   0.00171   1.94132
   A59        1.98811   0.00001   0.00110   0.00123   0.00232   1.99043
   A60        0.84030  -0.00001  -0.00043  -0.00039  -0.00082   0.83948
   A61        0.77723  -0.00003  -0.00059  -0.00045  -0.00104   0.77619
   A62        2.59791   0.00000  -0.00046  -0.00025  -0.00070   2.59721
   A63        2.76904  -0.00001  -0.00054  -0.00041  -0.00095   2.76809
   A64        2.61662   0.00000   0.00056   0.00012   0.00068   2.61731
   A65        2.39513  -0.00001  -0.00038  -0.00032  -0.00070   2.39443
   A66        2.20199   0.00000  -0.00012  -0.00014  -0.00026   2.20172
   A67        0.85059   0.00001  -0.00017   0.00010  -0.00007   0.85052
   A68        1.22626   0.00000  -0.00020   0.00002  -0.00019   1.22607
   A69        1.40593   0.00001   0.00007   0.00012   0.00019   1.40612
   A70        1.67643   0.00001   0.00029   0.00018   0.00047   1.67689
   A71        1.51598   0.00001  -0.00024   0.00002  -0.00022   1.51576
   A72        1.72649   0.00000   0.00126   0.00085   0.00211   1.72860
   A73        1.55656   0.00000   0.00153   0.00089   0.00242   1.55898
   A74        1.12728   0.00002   0.00168   0.00085   0.00253   1.12981
   A75        1.01516   0.00002   0.00159   0.00123   0.00282   1.01798
   A76        1.77333   0.00002   0.00177   0.00071   0.00249   1.77582
   A77        1.76420   0.00003   0.00144   0.00146   0.00290   1.76710
   A78        1.99725   0.00001   0.00019   0.00016   0.00035   1.99761
   A79        1.94289   0.00000   0.00003   0.00004   0.00007   1.94296
   A80        2.22226   0.00000  -0.00013  -0.00011  -0.00024   2.22202
   A81        2.08282   0.00000   0.00020  -0.00022  -0.00002   2.08280
   A82        1.55487   0.00001   0.00004   0.00006   0.00010   1.55498
   A83        1.38968   0.00001   0.00008   0.00011   0.00020   1.38988
   A84        1.19646   0.00000  -0.00022   0.00003  -0.00019   1.19626
   A85        1.38122   0.00000   0.00005   0.00018   0.00023   1.38144
   A86        1.21366   0.00000   0.00032   0.00033   0.00065   1.21430
   A87        1.31873   0.00001   0.00068   0.00044   0.00111   1.31984
   A88        1.80782   0.00000   0.00010   0.00025   0.00034   1.80816
   A89        2.28191   0.00000   0.00069   0.00036   0.00105   2.28296
   A90        2.32762  -0.00001   0.00109   0.00043   0.00152   2.32915
   A91        1.93352   0.00000   0.00128   0.00044   0.00171   1.93523
   A92        1.85507   0.00001   0.00116   0.00085   0.00200   1.85708
   A93        2.61336   0.00000   0.00135   0.00032   0.00167   2.61502
   A94        2.55482   0.00001   0.00089   0.00116   0.00204   2.55686
   A95        1.91250   0.00002   0.00021   0.00019   0.00040   1.91289
   A96        1.99402   0.00002   0.00001   0.00003   0.00003   1.99405
   A97        2.37077   0.00001  -0.00017  -0.00011  -0.00029   2.37048
   A98        2.32915   0.00000   0.00012  -0.00029  -0.00016   2.32898
   A99        1.66596   0.00002  -0.00006   0.00000  -0.00006   1.66590
   A100       1.57443   0.00002  -0.00004   0.00002  -0.00001   1.57442
   A101       0.89050   0.00000  -0.00022   0.00004  -0.00018   0.89032
   A102       1.05899   0.00001   0.00012   0.00024   0.00036   1.05935
   A103       0.92763   0.00002   0.00047   0.00044   0.00091   0.92854
   A104       1.08724   0.00003   0.00084   0.00055   0.00140   1.08864
   A105       1.48550   0.00001   0.00016   0.00030   0.00046   1.48596
   A106       2.45701  -0.00002   0.00067   0.00038   0.00105   2.45806
   A107       2.33100  -0.00003   0.00093   0.00044   0.00137   2.33236
   A108       1.89873  -0.00001   0.00105   0.00040   0.00145   1.90018
   A109       1.72563   0.00000   0.00095   0.00075   0.00170   1.72732
   A110       2.45074  -0.00001   0.00100   0.00038   0.00138   2.45212
   A111       2.29059   0.00001   0.00065   0.00111   0.00175   2.29234
   A112       0.71398  -0.00001  -0.00022  -0.00011  -0.00032   0.71365
   A113       1.00592  -0.00001  -0.00025  -0.00016  -0.00041   1.00551
   A114       0.69585   0.00000  -0.00015  -0.00007  -0.00022   0.69563
   A115       0.98373  -0.00001  -0.00023  -0.00016  -0.00039   0.98334
   A116       1.80676   0.00000  -0.00027  -0.00025  -0.00052   1.80624
   A117       1.42602   0.00000  -0.00019  -0.00015  -0.00034   1.42568
   A118       1.19410   0.00000  -0.00052  -0.00035  -0.00088   1.19322
   A119       0.92170  -0.00001  -0.00074  -0.00043  -0.00117   0.92052
   A120       1.25025   0.00000   0.00001   0.00000   0.00002   1.25027
   A121       1.91084   0.00000  -0.00087  -0.00057  -0.00144   1.90940
   A122       1.95789   0.00001  -0.00128  -0.00059  -0.00187   1.95601
   A123       2.31633  -0.00001  -0.00152  -0.00058  -0.00211   2.31423
   A124       2.23590  -0.00001  -0.00139  -0.00095  -0.00234   2.23357
   A125       1.61464  -0.00001  -0.00158  -0.00039  -0.00197   1.61267
   A126       1.48248  -0.00001  -0.00140  -0.00100  -0.00240   1.48008
   A127       0.65684  -0.00001  -0.00005  -0.00013  -0.00018   0.65666
   A128       0.66111  -0.00001  -0.00018  -0.00016  -0.00034   0.66077
   A129       2.17153   0.00000  -0.00047  -0.00035  -0.00082   2.17071
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   A131       1.50734  -0.00001  -0.00072  -0.00045  -0.00117   1.50617
   A132       1.21584  -0.00001  -0.00089  -0.00053  -0.00142   1.21442
   A133       1.64367   0.00000  -0.00007  -0.00004  -0.00011   1.64356
   A134       1.75655   0.00001  -0.00055  -0.00040  -0.00095   1.75560
   A135       1.95710   0.00001  -0.00096  -0.00047  -0.00143   1.95566
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   A137       2.46872  -0.00001  -0.00131  -0.00093  -0.00224   2.46648
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   A176       2.27296   0.00000  -0.00070  -0.00034  -0.00104   2.27192
   A177       2.05356   0.00000  -0.00052  -0.00026  -0.00078   2.05278
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   A179       1.39327  -0.00001  -0.00078  -0.00046  -0.00124   1.39202
   A180       2.13800  -0.00001  -0.00028  -0.00011  -0.00039   2.13761
   A181       1.89441   0.00001   0.00000  -0.00012  -0.00012   1.89429
   A182       2.26882   0.00000  -0.00024  -0.00025  -0.00048   2.26834
   A183       2.58750  -0.00001   0.00040   0.00009   0.00048   2.58798
   A184       2.25394  -0.00001  -0.00112  -0.00042  -0.00153   2.25240
   A185       2.31639  -0.00002  -0.00127  -0.00130  -0.00257   2.31382
   A186       0.69102   0.00000   0.00015   0.00005   0.00020   0.69122
   A187       0.98143   0.00001   0.00028   0.00013   0.00040   0.98183
   A188       0.69955   0.00000   0.00001  -0.00003  -0.00002   0.69954
   A189       2.11580  -0.00001   0.00070   0.00047   0.00117   2.11697
   A190       1.73358   0.00000   0.00074   0.00048   0.00122   1.73480
   A191       1.40496   0.00001   0.00069   0.00045   0.00113   1.40609
   A192       1.09918   0.00001   0.00069   0.00052   0.00122   1.10040
   A193       1.61992   0.00000   0.00090   0.00042   0.00132   1.62124
   A194       1.40738   0.00001   0.00078   0.00104   0.00181   1.40920
   A195       0.66614   0.00001   0.00032   0.00022   0.00054   0.66668
   A196       2.25725  -0.00001   0.00005   0.00003   0.00007   2.25733
   A197       1.85769   0.00000   0.00001   0.00010   0.00011   1.85780
   A198       1.64054   0.00001   0.00000   0.00011   0.00011   1.64065
   A199       1.32069   0.00000  -0.00001   0.00004   0.00003   1.32073
   A200       1.60821   0.00000   0.00007   0.00014   0.00020   1.60842
   A201       1.34084   0.00001   0.00004   0.00057   0.00062   1.34146
   A202       0.71015   0.00000   0.00018   0.00018   0.00037   0.71052
   A203       2.63846  -0.00001  -0.00016  -0.00010  -0.00026   2.63820
   A204       2.25275   0.00001  -0.00006   0.00009   0.00003   2.25277
   A205       2.05130   0.00002   0.00033   0.00030   0.00063   2.05193
   A206       1.73157   0.00001   0.00031   0.00025   0.00055   1.73212
   A207       1.94611   0.00000  -0.00032   0.00005  -0.00027   1.94584
   A208       1.66337   0.00002  -0.00031   0.00029  -0.00002   1.66335
   A209       0.83428   0.00001   0.00020   0.00026   0.00046   0.83474
   A210       2.66800  -0.00001  -0.00114  -0.00064  -0.00178   2.66621
   A211       2.37685   0.00001  -0.00079  -0.00022  -0.00101   2.37583
   A212       2.29202   0.00002  -0.00005   0.00018   0.00013   2.29215
   A213       1.97589   0.00001   0.00003   0.00010   0.00013   1.97603
   A214       2.00030   0.00000  -0.00106  -0.00016  -0.00122   1.99908
   A215       1.72241   0.00001  -0.00091  -0.00010  -0.00101   1.72140
   A216       1.92952  -0.00001  -0.00043  -0.00034  -0.00077   1.92875
   A217       1.55998   0.00001  -0.00058  -0.00027  -0.00086   1.55912
   A218       1.48806   0.00001  -0.00081  -0.00032  -0.00113   1.48693
   A219       1.19695   0.00000  -0.00082  -0.00056  -0.00138   1.19557
   A220       1.23663   0.00000  -0.00043  -0.00010  -0.00053   1.23610
   A221       0.95532   0.00001  -0.00038   0.00021  -0.00017   0.95515
   A222       0.72557  -0.00002  -0.00009   0.00005  -0.00004   0.72553
   A223       1.01784  -0.00002  -0.00002  -0.00007  -0.00009   1.01775
   A224       0.69831  -0.00001   0.00009  -0.00025  -0.00016   0.69815
   A225       0.98225  -0.00002   0.00005  -0.00044  -0.00039   0.98186
   A226       0.65880  -0.00001  -0.00003  -0.00015  -0.00018   0.65862
   A227       0.66294   0.00000  -0.00001  -0.00011  -0.00012   0.66282
   A228       0.70449   0.00000   0.00008  -0.00019  -0.00011   0.70438
   A229       0.84994   0.00000  -0.00012   0.00031   0.00019   0.85013
   A230       0.75992  -0.00001   0.00017  -0.00050  -0.00033   0.75959
   A231       0.78233   0.00000  -0.00004   0.00014   0.00010   0.78243
   A232       1.58763   0.00003   0.00064   0.00064   0.00128   1.58891
   A233       1.86832  -0.00005  -0.00197  -0.00046  -0.00243   1.86589
   A234       2.19015   0.00000   0.00019  -0.00007   0.00012   2.19027
   A235       2.12908   0.00000  -0.00005   0.00026   0.00022   2.12929
   A236       1.96359   0.00000  -0.00015  -0.00018  -0.00033   1.96326
   A237       2.12411  -0.00001  -0.00028   0.00016  -0.00012   2.12399
   A238       2.12571   0.00004   0.00086   0.00022   0.00108   2.12679
   A239       2.03291  -0.00002  -0.00067  -0.00037  -0.00104   2.03186
   A240       1.83051   0.00000  -0.00216  -0.00062  -0.00278   1.82772
   A241       2.54374   0.00001   0.00196   0.00053   0.00249   2.54623
   A242       1.91357  -0.00001   0.00005  -0.00007  -0.00002   1.91356
   A243       1.91714   0.00001  -0.00004  -0.00036  -0.00040   1.91673
   A244       1.91586   0.00000  -0.00040   0.00001  -0.00039   1.91547
   A245       1.90959   0.00001  -0.00023   0.00042   0.00019   1.90978
   A246       1.90840   0.00000   0.00019   0.00010   0.00029   1.90869
   A247       1.89917  -0.00001   0.00043  -0.00010   0.00033   1.89950
   A248       1.28601   0.00000   0.00194   0.00076   0.00270   1.28871
   A249       1.90503  -0.00004  -0.00064  -0.00014  -0.00078   1.90425
   A250       1.90926  -0.00002  -0.00026   0.00020  -0.00006   1.90920
   A251       1.92782   0.00001  -0.00015  -0.00003  -0.00018   1.92764
   A252       1.91080   0.00003   0.00078   0.00005   0.00083   1.91164
   A253       1.89794   0.00002   0.00001  -0.00006  -0.00006   1.89788
   A254       1.91287   0.00001   0.00028  -0.00002   0.00025   1.91312
   A255       1.72320  -0.00001  -0.00034  -0.00033  -0.00067   1.72253
   A256       1.76328   0.00001   0.00015   0.00026   0.00041   1.76369
   A257       2.19142   0.00001   0.00009  -0.00004   0.00005   2.19147
   A258       2.12970   0.00000   0.00004  -0.00007  -0.00003   2.12966
   A259       1.96186  -0.00001  -0.00013   0.00011  -0.00002   1.96184
   A260       2.12566  -0.00001  -0.00015  -0.00004  -0.00019   2.12547
   A261       2.12247   0.00001  -0.00005   0.00010   0.00005   2.12252
   A262       2.03474   0.00000   0.00019  -0.00006   0.00013   2.03488
   A263       1.36091  -0.00001   0.00151  -0.00013   0.00138   1.36228
   A264       1.90149  -0.00001   0.00016  -0.00008   0.00008   1.90157
   A265       1.93090   0.00000  -0.00012   0.00003  -0.00009   1.93081
   A266       1.90954   0.00000  -0.00005   0.00009   0.00004   1.90958
   A267       1.89673   0.00000  -0.00017   0.00001  -0.00016   1.89657
   A268       1.91367   0.00000   0.00013  -0.00001   0.00012   1.91379
   A269       1.91139   0.00000   0.00005  -0.00004   0.00001   1.91140
   A270       2.66963   0.00000   0.00028   0.00008   0.00035   2.66998
   A271       1.69388   0.00000  -0.00032  -0.00015  -0.00046   1.69341
   A272       1.92448   0.00000  -0.00001   0.00009   0.00008   1.92456
   A273       1.91346  -0.00001  -0.00008  -0.00019  -0.00027   1.91319
   A274       1.91342   0.00000  -0.00001   0.00002   0.00001   1.91342
   A275       1.89450   0.00000   0.00000   0.00001   0.00001   1.89450
   A276       1.91084   0.00001   0.00001   0.00003   0.00004   1.91089
   A277       1.90695   0.00000   0.00009   0.00004   0.00013   1.90709
   A278       1.80286   0.00007   0.00049   0.00089   0.00138   1.80424
   A279       1.75664  -0.00002   0.00074  -0.00029   0.00044   1.75708
   A280       2.18950   0.00003   0.00018  -0.00009   0.00009   2.18959
   A281       2.13071  -0.00002  -0.00025  -0.00002  -0.00028   2.13044
   A282       1.96289   0.00000   0.00008   0.00011   0.00019   1.96309
   A283       2.12293   0.00001   0.00002   0.00000   0.00002   2.12295
   A284       2.11508   0.00001   0.00009  -0.00006   0.00003   2.11510
   A285       2.04241  -0.00002  -0.00019   0.00003  -0.00016   2.04224
   A286       2.69633  -0.00002  -0.00005  -0.00026  -0.00031   2.69601
   A287       1.66328   0.00002   0.00006   0.00015   0.00021   1.66349
   A288       1.92634  -0.00001  -0.00007   0.00006  -0.00001   1.92633
   A289       1.91492   0.00002  -0.00003   0.00022   0.00020   1.91512
   A290       1.91240   0.00000  -0.00004   0.00000  -0.00004   1.91236
   A291       1.89177  -0.00003  -0.00009  -0.00031  -0.00040   1.89138
   A292       1.91231   0.00000  -0.00005   0.00002  -0.00003   1.91228
   A293       1.90588   0.00001   0.00028   0.00000   0.00028   1.90616
   A294       1.35023   0.00003   0.00055  -0.00072  -0.00017   1.35006
   A295       1.15250   0.00000   0.00020   0.00072   0.00092   1.15342
   A296       1.93269  -0.00001  -0.00021  -0.00001  -0.00022   1.93247
   A297       1.90671   0.00000   0.00008   0.00015   0.00023   1.90694
   A298       1.90214   0.00000   0.00010  -0.00013  -0.00003   1.90211
   A299       1.90953  -0.00001   0.00003  -0.00010  -0.00007   1.90946
   A300       1.89815   0.00000   0.00007   0.00007   0.00013   1.89828
   A301       1.91455   0.00001  -0.00007   0.00002  -0.00004   1.91451
   A302       1.64694   0.00002  -0.00032   0.00034   0.00003   1.64697
   A303       1.80526  -0.00001   0.00033   0.00004   0.00037   1.80563
   A304       2.19006  -0.00003  -0.00047   0.00006  -0.00041   2.18966
   A305       2.12954   0.00001   0.00050  -0.00017   0.00033   2.12987
   A306       1.96320   0.00003  -0.00003   0.00012   0.00009   1.96329
   A307       2.12573   0.00003  -0.00006   0.00025   0.00019   2.12592
   A308       2.12354  -0.00004  -0.00026  -0.00007  -0.00033   2.12321
   A309       2.03065   0.00001   0.00025  -0.00012   0.00013   2.03078
   A310       1.30966   0.00004   0.00136  -0.00138  -0.00002   1.30964
   A311       3.04262  -0.00001  -0.00074   0.00103   0.00028   3.04289
   A312       1.91087   0.00002   0.00091  -0.00013   0.00077   1.91164
   A313       1.92678   0.00000   0.00080  -0.00007   0.00073   1.92750
   A314       1.90384  -0.00001   0.00011  -0.00045  -0.00034   1.90350
   A315       1.91296  -0.00002  -0.00131   0.00028  -0.00104   1.91192
   A316       1.91162   0.00003  -0.00002   0.00029   0.00027   1.91190
   A317       1.89764  -0.00001  -0.00049   0.00009  -0.00039   1.89724
   A318       1.78272  -0.00002  -0.00165   0.00248   0.00083   1.78355
   A319       1.91622   0.00001  -0.00010  -0.00021  -0.00031   1.91591
   A320       1.91448  -0.00001  -0.00057   0.00026  -0.00030   1.91418
   A321       1.92051  -0.00001   0.00035  -0.00019   0.00016   1.92067
   A322       1.90719  -0.00003  -0.00060   0.00018  -0.00042   1.90677
   A323       1.91021   0.00002   0.00050  -0.00008   0.00042   1.91063
   A324       1.89503   0.00002   0.00042   0.00004   0.00046   1.89549
   A325       2.94155  -0.00001   0.00007  -0.00011  -0.00005   2.94150
   A326       3.35708   0.00001   0.00141   0.00096   0.00238   3.35946
   A327       3.07575   0.00002   0.00145   0.00105   0.00250   3.07825
   A328       3.19887   0.00001   0.00222   0.00074   0.00296   3.20183
   A329       3.27229   0.00000   0.00156  -0.00017   0.00139   3.27369
   A330       3.25976   0.00002   0.00057  -0.00082  -0.00024   3.25952
   A331       3.69293   0.00001  -0.00115   0.00239   0.00125   3.69418
   A332       3.21721  -0.00001  -0.00103  -0.00062  -0.00164   3.21557
   A333       2.97994  -0.00001  -0.00023  -0.00029  -0.00052   2.97943
   A334       2.91257  -0.00001  -0.00012  -0.00028  -0.00040   2.91217
   A335       3.22914   0.00000   0.00107   0.00030   0.00136   3.23050
   A336       3.07640   0.00000  -0.00073  -0.00006  -0.00079   3.07561
   A337       3.10195   0.00001   0.00063   0.00046   0.00109   3.10304
   A338       3.04480   0.00000  -0.00076   0.00053  -0.00023   3.04457
    D1        2.75855  -0.00001   0.00012  -0.00042  -0.00029   2.75826
    D2       -1.36028  -0.00001  -0.00013   0.00000  -0.00013  -1.36041
    D3        2.78169  -0.00001  -0.00064  -0.00084  -0.00149   2.78021
    D4       -1.33714  -0.00001  -0.00090  -0.00042  -0.00132  -1.33846
    D5        1.66221   0.00000   0.00036  -0.00023   0.00014   1.66235
    D6       -2.45663   0.00000   0.00011   0.00020   0.00031  -2.45632
    D7        1.84254   0.00001   0.00030  -0.00030   0.00000   1.84253
    D8       -2.27630   0.00001   0.00004   0.00012   0.00016  -2.27614
    D9        0.32357   0.00000  -0.00022  -0.00052  -0.00074   0.32283
   D10        2.48792   0.00000  -0.00047  -0.00010  -0.00058   2.48734
   D11        0.03468   0.00000   0.00020  -0.00034  -0.00014   0.03455
   D12        2.19903   0.00000  -0.00006   0.00009   0.00003   2.19906
   D13       -0.43552   0.00000   0.00038  -0.00023   0.00016  -0.43536
   D14        1.72883   0.00000   0.00013   0.00019   0.00032   1.72915
   D15       -0.55874   0.00001   0.00029  -0.00010   0.00019  -0.55855
   D16        1.60561   0.00001   0.00003   0.00033   0.00036   1.60596
   D17        0.21287   0.00000   0.00050  -0.00028   0.00022   0.21309
   D18        2.37722   0.00000   0.00024   0.00014   0.00039   2.37761
   D19        0.14550   0.00000   0.00061  -0.00027   0.00034   0.14584
   D20        2.30985   0.00000   0.00035   0.00015   0.00050   2.31035
   D21        2.40445   0.00000  -0.00013  -0.00064  -0.00078   2.40368
   D22       -1.71438   0.00000  -0.00039  -0.00022  -0.00061  -1.71499
   D23        2.16104   0.00001   0.00016  -0.00050  -0.00034   2.16070
   D24       -1.95780   0.00001  -0.00009  -0.00007  -0.00017  -1.95797
   D25        1.72009   0.00000  -0.00027  -0.00073  -0.00100   1.71910
   D26       -2.39874  -0.00001  -0.00052  -0.00031  -0.00083  -2.39957
   D27        1.41423  -0.00001  -0.00047  -0.00086  -0.00133   1.41290
   D28       -2.70461  -0.00001  -0.00073  -0.00044  -0.00116  -2.70577
   D29        2.37063   0.00000   0.00074  -0.00016   0.00058   2.37121
   D30       -1.74821   0.00000   0.00049   0.00026   0.00075  -1.74746
   D31       -1.75193  -0.00001   0.00067  -0.00007   0.00061  -1.75133
   D32        0.41242  -0.00001   0.00042   0.00036   0.00077   0.41319
   D33       -2.10350   0.00000   0.00087   0.00000   0.00087  -2.10263
   D34        0.06085   0.00000   0.00061   0.00042   0.00104   0.06189
   D35       -2.47712   0.00001   0.00073  -0.00012   0.00061  -2.47651
   D36       -0.31277   0.00001   0.00048   0.00030   0.00078  -0.31199
   D37       -2.76707   0.00001   0.00073   0.00001   0.00073  -2.76633
   D38       -0.60272   0.00001   0.00047   0.00043   0.00090  -0.60182
   D39       -2.13192   0.00000   0.00150   0.00011   0.00161  -2.13031
   D40        0.03243   0.00000   0.00125   0.00053   0.00178   0.03421
   D41       -2.37649   0.00002   0.00145   0.00122   0.00268  -2.37380
   D42       -0.21214   0.00002   0.00120   0.00165   0.00285  -0.20929
   D43        1.26251  -0.00001   0.00124   0.00039   0.00163   1.26414
   D44       -1.92251  -0.00001   0.00091   0.00060   0.00151  -1.92100
   D45        2.45678   0.00000   0.00158   0.00046   0.00204   2.45882
   D46       -0.72823   0.00000   0.00125   0.00066   0.00191  -0.72632
   D47        2.94220   0.00000   0.00144   0.00043   0.00187   2.94407
   D48       -0.24282   0.00000   0.00111   0.00063   0.00175  -0.24107
   D49        2.87169  -0.00001   0.00181   0.00027   0.00208   2.87377
   D50       -0.31333  -0.00001   0.00148   0.00048   0.00196  -0.31137
   D51        2.05337   0.00000   0.00169   0.00045   0.00213   2.05551
   D52       -1.13164  -0.00001   0.00136   0.00065   0.00201  -1.12963
   D53        1.15805   0.00001   0.00174   0.00079   0.00253   1.16058
   D54       -2.02696   0.00001   0.00141   0.00100   0.00241  -2.02456
   D55        1.01394   0.00001   0.00140   0.00088   0.00228   1.01622
   D56       -2.17107   0.00001   0.00107   0.00108   0.00215  -2.16892
   D57        2.02370   0.00000   0.00191   0.00056   0.00246   2.02616
   D58       -1.16132   0.00000   0.00158   0.00076   0.00234  -1.15898
   D59        1.82738   0.00000   0.00188   0.00058   0.00246   1.82984
   D60       -1.35764   0.00000   0.00155   0.00079   0.00234  -1.35530
   D61       -2.27487   0.00000   0.00100   0.00021   0.00121  -2.27366
   D62        0.82330   0.00000   0.00067   0.00042   0.00109   0.82439
   D63       -2.41062   0.00000   0.00142   0.00041   0.00183  -2.40879
   D64        0.68755   0.00000   0.00109   0.00062   0.00171   0.68925
   D65       -2.81274  -0.00001   0.00131   0.00032   0.00163  -2.81110
   D66        0.28543  -0.00001   0.00098   0.00052   0.00151   0.28694
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   D285      -2.63727  -0.00001  -0.00167   0.00006  -0.00161  -2.63888
   D286       1.64061   0.00001  -0.00068   0.00002  -0.00067   1.63994
   D287      -2.57381   0.00000  -0.00120   0.00014  -0.00107  -2.57488
   D288       1.33152   0.00000  -0.00085   0.00009  -0.00076   1.33075
   D289      -2.88290   0.00000  -0.00137   0.00021  -0.00116  -2.88406
   D290       1.24384   0.00001  -0.00013   0.00047   0.00034   1.24419
   D291      -2.97058   0.00001  -0.00065   0.00059  -0.00005  -2.97063
   D292       2.03823   0.00000  -0.00072  -0.00001  -0.00073   2.03750
   D293      -2.17619   0.00000  -0.00124   0.00011  -0.00113  -2.17731
   D294       2.02252  -0.00002  -0.00070   0.00002  -0.00068   2.02184
   D295      -2.19190  -0.00002  -0.00122   0.00014  -0.00108  -2.19298
   D296      -2.29710   0.00000  -0.00054   0.00010  -0.00044  -2.29754
   D297      -0.22833   0.00000  -0.00106   0.00022  -0.00084  -0.22917
   D298      -2.27064   0.00000  -0.00069   0.00006  -0.00063  -2.27126
   D299      -0.20187   0.00000  -0.00121   0.00018  -0.00102  -0.20290
   D300      -1.88207   0.00000  -0.00084  -0.00002  -0.00086  -1.88293
   D301       0.18670   0.00000  -0.00136   0.00011  -0.00126   0.18544
   D302      -1.81610  -0.00001  -0.00056  -0.00013  -0.00070  -1.81680
   D303       0.25267  -0.00001  -0.00108  -0.00001  -0.00110   0.25157
   D304      -2.61645   0.00000  -0.00070   0.00011  -0.00059  -2.61703
   D305      -0.54768   0.00000  -0.00122   0.00024  -0.00098  -0.54867
   D306      -2.74003   0.00001  -0.00061   0.00025  -0.00036  -2.74039
   D307      -0.67126   0.00001  -0.00113   0.00038  -0.00076  -0.67202
   D308       1.52527   0.00000   0.00019   0.00068   0.00087   1.52614
   D309      -2.68915   0.00000  -0.00033   0.00080   0.00048  -2.68868
   D310       2.62521   0.00001   0.00030   0.00066   0.00096   2.62617
   D311      -1.58921   0.00000  -0.00022   0.00078   0.00056  -1.58865
   D312       3.00813   0.00001   0.00045   0.00063   0.00108   3.00921
   D313      -1.20629   0.00001  -0.00008   0.00076   0.00068  -1.20561
   D314      -0.47275   0.00000  -0.00138  -0.00044  -0.00182  -0.47458
   D315       1.59601   0.00000  -0.00190  -0.00032  -0.00222   1.59379
   D316      -0.31329   0.00001  -0.00170  -0.00043  -0.00213  -0.31542
   D317       1.75548   0.00001  -0.00222  -0.00031  -0.00253   1.75295
   D318       0.11387  -0.00001  -0.00184  -0.00039  -0.00223   0.11164
   D319       2.18264  -0.00001  -0.00236  -0.00027  -0.00263   2.18000
   D320       0.25057  -0.00001  -0.00181  -0.00076  -0.00257   0.24800
   D321       2.31933  -0.00001  -0.00233  -0.00064  -0.00296   2.31637
   D322      -0.56140   0.00000  -0.00217  -0.00030  -0.00247  -0.56387
   D323       1.50736   0.00000  -0.00269  -0.00018  -0.00287   1.50450
   D324      -0.60508  -0.00001  -0.00221  -0.00128  -0.00349  -0.60857
   D325       1.46369  -0.00001  -0.00273  -0.00116  -0.00389   1.45980
   D326       0.09861  -0.00001  -0.00167  -0.00029  -0.00195   0.09666
   D327       2.26965   0.00001  -0.00116  -0.00034  -0.00150   2.26815
   D328       0.40311  -0.00001  -0.00179  -0.00036  -0.00215   0.40096
   D329       2.57415   0.00000  -0.00129  -0.00041  -0.00170   2.57246
   D330       0.77017  -0.00001  -0.00144  -0.00030  -0.00174   0.76843
   D331       2.94121   0.00000  -0.00094  -0.00035  -0.00129   2.93992
   D332       1.05027  -0.00002  -0.00143  -0.00026  -0.00169   1.04858
   D333      -3.06188  -0.00001  -0.00093  -0.00031  -0.00124  -3.06311
   D334       0.33703   0.00000  -0.00169  -0.00036  -0.00205   0.33498
   D335       2.50807   0.00001  -0.00119  -0.00041  -0.00160   2.50648
   D336       0.72895   0.00000  -0.00150  -0.00033  -0.00183   0.72713
   D337       2.89999   0.00001  -0.00099  -0.00038  -0.00137   2.89862
   D338      -2.31792  -0.00002  -0.00166  -0.00024  -0.00189  -2.31981
   D339      -0.14688   0.00000  -0.00115  -0.00029  -0.00144  -0.14832
   D340      -1.94156  -0.00001  -0.00170  -0.00026  -0.00197  -1.94352
   D341       0.22948   0.00000  -0.00120  -0.00032  -0.00151   0.22797
   D342      -1.89425  -0.00001  -0.00140  -0.00006  -0.00146  -1.89571
   D343       0.27679   0.00000  -0.00089  -0.00012  -0.00101   0.27578
   D344      -1.59620  -0.00001  -0.00156   0.00003  -0.00154  -1.59774
   D345       0.57484   0.00000  -0.00106  -0.00002  -0.00108   0.57375
   D346      -1.57242  -0.00002  -0.00203  -0.00046  -0.00249  -1.57491
   D347       0.59862  -0.00001  -0.00153  -0.00051  -0.00204   0.59658
   D348      -1.27195  -0.00002  -0.00206  -0.00054  -0.00260  -1.27455
   D349       0.89909  -0.00001  -0.00155  -0.00059  -0.00215   0.89694
   D350       1.86569   0.00000  -0.00103   0.00028  -0.00075   1.86494
   D351      -2.24646   0.00001  -0.00052   0.00023  -0.00030  -2.24675
   D352       2.30230  -0.00001  -0.00068   0.00045  -0.00023   2.30206
   D353      -1.80985   0.00000  -0.00018   0.00040   0.00022  -1.80963
   D354       2.56168   0.00000   0.00098   0.00152   0.00250   2.56418
   D355      -1.55046   0.00001   0.00148   0.00147   0.00295  -1.54751
   D356      -3.09135   0.00000   0.00071   0.00134   0.00205  -3.08931
   D357      -0.92031   0.00001   0.00122   0.00129   0.00250  -0.91781
   D358       2.62069  -0.00001  -0.00129   0.00003  -0.00126   2.61942
   D359      -1.49146   0.00000  -0.00079  -0.00002  -0.00081  -1.49227
   D360       1.63914  -0.00002  -0.00030   0.00004  -0.00027   1.63887
   D361      -2.47301  -0.00001   0.00020  -0.00001   0.00019  -2.47282
   D362       1.81101   0.00000  -0.00046   0.00059   0.00013   1.81114
   D363      -2.30114   0.00001   0.00004   0.00054   0.00058  -2.30055
   D364       2.75114   0.00000  -0.00016  -0.00015  -0.00031   2.75083
   D365      -1.36100   0.00001   0.00034  -0.00020   0.00014  -1.36086
   D366       2.75057   0.00001  -0.00052   0.00091   0.00039   2.75097
   D367      -1.36157   0.00002  -0.00001   0.00086   0.00085  -1.36073
   D368       0.07225   0.00000  -0.00094  -0.00062  -0.00156   0.07069
   D369      -2.46593   0.00001   0.00889   0.00396   0.01285  -2.45308
   D370       0.47163  -0.00001  -0.00083  -0.00066  -0.00148   0.47014
   D371      -2.06656   0.00000   0.00900   0.00392   0.01292  -2.05364
   D372       0.68487   0.00000  -0.00075  -0.00065  -0.00139   0.68348
   D373      -1.85331   0.00000   0.00908   0.00393   0.01302  -1.84030
   D374       0.95633  -0.00001  -0.00064  -0.00054  -0.00118   0.95515
   D375      -1.58186   0.00000   0.00919   0.00404   0.01323  -1.56863
   D376       0.71248  -0.00001  -0.00045  -0.00057  -0.00102   0.71146
   D377      -1.82570   0.00000   0.00938   0.00401   0.01339  -1.81231
   D378       1.05365  -0.00002  -0.00039  -0.00059  -0.00098   1.05266
   D379      -1.48454  -0.00001   0.00943   0.00399   0.01342  -1.47112
   D380      -2.73830   0.00001  -0.00056  -0.00041  -0.00097  -2.73927
   D381       1.00670   0.00002   0.00927   0.00417   0.01344   1.02014
   D382      -2.18827   0.00000  -0.00154  -0.00080  -0.00234  -2.19061
   D383       1.55673   0.00001   0.00829   0.00378   0.01207   1.56880
   D384      -1.95310   0.00000  -0.00109  -0.00063  -0.00172  -1.95482
   D385       1.79190   0.00000   0.00874   0.00394   0.01268   1.80459
   D386      -1.62504  -0.00001  -0.00132  -0.00062  -0.00194  -1.62698
   D387       2.11996   0.00000   0.00851   0.00396   0.01247   2.13243
   D388      -1.67916  -0.00001  -0.00363  -0.00160  -0.00522  -1.68438
   D389       2.06584   0.00000   0.00620   0.00298   0.00919   2.07503
   D390      -1.10810  -0.00003  -0.00319  -0.00165  -0.00484  -1.11295
   D391       2.63690  -0.00002   0.00664   0.00293   0.00957   2.64646
   D392       1.80521   0.00000  -0.00084  -0.00048  -0.00132   1.80389
   D393      -0.73298   0.00001   0.00899   0.00410   0.01309  -0.71989
   D394       2.10682   0.00000  -0.00039  -0.00034  -0.00073   2.10610
   D395      -0.43136   0.00000   0.00944   0.00424   0.01368  -0.41768
   D396       2.05751   0.00000   0.00058   0.00009   0.00067   2.05818
   D397      -0.48067   0.00001   0.01041   0.00467   0.01508  -0.46560
   D398       2.26175   0.00001   0.00158   0.00048   0.00206   2.26381
   D399      -0.27644   0.00002   0.01141   0.00506   0.01647  -0.25997
   D400       2.50565   0.00000  -0.00065  -0.00043  -0.00107   2.50458
   D401      -0.03253   0.00001   0.00918   0.00415   0.01333  -0.01920
   D402      -1.53239  -0.00001  -0.00011  -0.00062  -0.00072  -1.53311
   D403       2.21261  -0.00001   0.00972   0.00396   0.01369   2.22630
   D404      -2.62985  -0.00002  -0.00028  -0.00027  -0.00055  -2.63040
   D405       1.11515  -0.00001   0.00955   0.00430   0.01386   1.12901
   D406      -2.97976   0.00001  -0.00038   0.00048   0.00010  -2.97965
   D407       0.76524   0.00002   0.00945   0.00506   0.01451   0.77975
   D408       1.92332   0.00000  -0.00089  -0.00173  -0.00262   1.92070
   D409       2.42055  -0.00001  -0.00041  -0.00172  -0.00213   2.41841
   D410       2.64894   0.00000   0.00005  -0.00152  -0.00147   2.64747
   D411       2.88085  -0.00001   0.00054  -0.00121  -0.00066   2.88019
   D412       2.85194   0.00000   0.00077  -0.00163  -0.00087   2.85107
   D413      -2.93707  -0.00003   0.00116  -0.00144  -0.00028  -2.93735
   D414      -0.74821   0.00000   0.00006  -0.00135  -0.00129  -0.74950
   D415      -0.36769   0.00000  -0.00015  -0.00142  -0.00157  -0.36926
   D416      -0.05657  -0.00001   0.00001  -0.00140  -0.00139  -0.05796
   D417       0.25204  -0.00001  -0.00012  -0.00147  -0.00159   0.25044
   D418      -0.23481  -0.00001  -0.00067  -0.00152  -0.00219  -0.23700
   D419       0.07596  -0.00001  -0.00119  -0.00171  -0.00290   0.07306
   D420      -2.55772   0.00000   0.00037  -0.00109  -0.00072  -2.55844
   D421      -2.17565   0.00000   0.00029  -0.00119  -0.00090  -2.17655
   D422      -1.93087   0.00001   0.00123  -0.00080   0.00043  -1.93044
   D423      -1.61746   0.00001   0.00145  -0.00069   0.00077  -1.61670
   D424      -1.96241   0.00000  -0.00050  -0.00148  -0.00198  -1.96439
   D425       1.30848   0.00001   0.00066  -0.00164  -0.00097   1.30751
   D426       2.47307  -0.00002   0.00037  -0.00120  -0.00083   2.47223
   D427       2.94709  -0.00001   0.00030  -0.00084  -0.00054   2.94655
   D428      -3.07350  -0.00003   0.00061  -0.00094  -0.00033  -3.07383
   D429       0.03441  -0.00005  -0.00247  -0.00070  -0.00318   0.03124
   D430       0.03950  -0.00003   0.00028  -0.00056  -0.00027   0.03922
   D431      -3.13577  -0.00005  -0.00279  -0.00033  -0.00312  -3.13889
   D432      -0.07809  -0.00002   0.00029   0.00086   0.00115  -0.07694
   D433       2.02086  -0.00001   0.00001   0.00111   0.00112   2.02198
   D434      -2.17478  -0.00001   0.00027   0.00077   0.00104  -2.17374
   D435       3.09547  -0.00001   0.00319   0.00063   0.00381   3.09929
   D436      -1.08876   0.00001   0.00291   0.00088   0.00379  -1.08497
   D437       0.99879   0.00000   0.00316   0.00054   0.00370   1.00249
   D438      -2.37053   0.00001   0.00358   0.00053   0.00411  -2.36642
   D439      -0.28017   0.00001   0.00399   0.00062   0.00462  -0.27555
   D440       1.82680   0.00001   0.00407   0.00071   0.00478   1.83158
   D441       0.73906  -0.00001   0.00066   0.00076   0.00142   0.74048
   D442       2.82942  -0.00001   0.00107   0.00085   0.00192   2.83134
   D443      -1.34680   0.00000   0.00115   0.00094   0.00209  -1.34471
   D444       0.00090  -0.00001  -0.00042  -0.00028  -0.00070   0.00020
   D445       3.11479  -0.00001  -0.00061  -0.00040  -0.00101   3.11378
   D446      -3.11894  -0.00001  -0.00031  -0.00024  -0.00055  -3.11950
   D447      -0.00505  -0.00001  -0.00049  -0.00037  -0.00086  -0.00592
   D448       2.41423   0.00001  -0.00166   0.00008  -0.00158   2.41266
   D449      -1.78492   0.00000  -0.00184   0.00006  -0.00178  -1.78670
   D450       0.32234   0.00001  -0.00188   0.00009  -0.00179   0.32055
   D451      -0.70098   0.00001  -0.00148   0.00020  -0.00128  -0.70226
   D452       1.38305   0.00000  -0.00166   0.00018  -0.00148   1.38157
   D453      -2.79287   0.00000  -0.00170   0.00021  -0.00150  -2.79437
   D454       2.05910   0.00000  -0.00012   0.00004  -0.00009   2.05902
   D455      -2.13924   0.00000  -0.00018  -0.00002  -0.00019  -2.13944
   D456      -0.04591   0.00000  -0.00012  -0.00007  -0.00019  -0.04610
   D457      -1.10882   0.00000  -0.00030  -0.00008  -0.00039  -1.10920
   D458       0.97602   0.00000  -0.00036  -0.00014  -0.00050   0.97553
   D459       3.06935   0.00000  -0.00030  -0.00019  -0.00049   3.06886
   D460      -3.08878   0.00006  -0.00005   0.00068   0.00063  -3.08815
   D461      -0.02953   0.00005  -0.00122   0.00019  -0.00103  -0.03057
   D462       0.06608   0.00002  -0.00052   0.00074   0.00022   0.06630
   D463       3.12533   0.00000  -0.00169   0.00024  -0.00144   3.12389
   D464       1.93757   0.00001  -0.00067  -0.00040  -0.00107   1.93649
   D465      -2.26207  -0.00002  -0.00084  -0.00060  -0.00144  -2.26351
   D466      -0.16979   0.00001  -0.00055  -0.00046  -0.00100  -0.17079
   D467      -1.12495   0.00002   0.00044   0.00008   0.00051  -1.12444
   D468       0.95860  -0.00001   0.00026  -0.00012   0.00014   0.95874
   D469       3.05088   0.00002   0.00056   0.00002   0.00058   3.05146
   D470      -1.64168   0.00002   0.00112   0.00200   0.00313  -1.63856
   D471       0.46257   0.00000   0.00107   0.00197   0.00304   0.46562
   D472       2.55423   0.00002   0.00110   0.00201   0.00311   2.55734
   D473       1.42121   0.00000   0.00002   0.00153   0.00155   1.42276
   D474      -2.75771  -0.00001  -0.00003   0.00149   0.00146  -2.75625
   D475      -0.66606   0.00000   0.00000   0.00154   0.00153  -0.66453
   D476       0.00826  -0.00003   0.00002  -0.00085  -0.00083   0.00743
   D477      -3.04340  -0.00004   0.00100  -0.00163  -0.00063  -3.04403
   D478       3.12061   0.00000   0.00026  -0.00050  -0.00024   3.12037
   D479       0.06895  -0.00001   0.00124  -0.00128  -0.00005   0.06891
   D480      -0.30137   0.00002   0.00137  -0.00118   0.00019  -0.30118
   D481       1.80610   0.00000   0.00083  -0.00097  -0.00015   1.80595
   D482      -2.39298  -0.00002   0.00078  -0.00118  -0.00040  -2.39338
   D483       2.75482   0.00003   0.00042  -0.00044  -0.00002   2.75480
   D484      -1.42091   0.00001  -0.00012  -0.00023  -0.00035  -1.42126
   D485       0.66320  -0.00002  -0.00017  -0.00044  -0.00061   0.66260
   D486      -0.09084   0.00002   0.00119  -0.00200  -0.00081  -0.09165
   D487       2.00516  -0.00002   0.00004  -0.00175  -0.00170   2.00345
   D488      -2.19434   0.00000   0.00041  -0.00165  -0.00123  -2.19558
   D489       3.13605   0.00001   0.00213  -0.00276  -0.00063   3.13542
   D490      -1.05114  -0.00003   0.00098  -0.00251  -0.00152  -1.05267
   D491       1.03254  -0.00001   0.00135  -0.00241  -0.00105   1.03149
         Item               Value     Threshold  Converged?
 Maximum Force            0.000143     0.000450     YES
 RMS     Force            0.000014     0.000300     YES
 Maximum Displacement     0.010271     0.001800     NO 
 RMS     Displacement     0.001328     0.001200     NO 
 Predicted change in Energy=-2.844374D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:52:51 2016, MaxMem=  2952790016 cpu:         9.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.828622   -0.590212    1.668360
      2          6           0       -2.069601    1.118167   -1.365379
      3          8           0       -2.622255    0.140077   -1.898177
      4          7           0       -0.777884    1.160595   -0.939260
      5          1           0       -2.614470    2.061752   -1.161607
      6          6           0       -0.234815    2.329642   -0.246114
      7          1           0       -0.990471    3.126941   -0.218988
      8          1           0        0.046472    2.056201    0.783631
      9          1           0        0.661244    2.693305   -0.775093
     10          6           0        0.130077    0.023432   -1.108996
     11          1           0        0.692559   -0.131227   -0.174990
     12          1           0       -0.453335   -0.877527   -1.339516
     13          1           0        0.845231    0.220029   -1.924769
     14          6           0       -2.003727   -4.000274    2.615433
     15          8           0       -2.122399   -3.848385    3.843302
     16          7           0       -2.947569   -3.691507    1.684807
     17          1           0       -1.074257   -4.395407    2.159368
     18          6           0       -4.246178   -3.127163    2.060747
     19          1           0       -4.507974   -2.327221    1.349905
     20          1           0       -5.030967   -3.901185    2.025758
     21          1           0       -4.184154   -2.713521    3.075474
     22          6           0       -2.702559   -3.874697    0.253917
     23          1           0       -3.413341   -4.606001   -0.164689
     24          1           0       -2.837665   -2.914490   -0.270659
     25          1           0       -1.674988   -4.231629    0.098026
     26          6           0        1.553630    0.381000    2.611028
     27          8           0        1.378468    1.399610    3.301047
     28          7           0        1.174258   -0.879991    2.954518
     29          1           0        2.040360    0.420782    1.616614
     30          6           0        1.481435   -2.031839    2.106021
     31          1           0        2.227913   -2.680430    2.594618
     32          1           0        0.566931   -2.622464    1.935260
     33          1           0        1.872510   -1.683606    1.140303
     34          6           0        0.531171   -1.154610    4.242106
     35          1           0        1.278725   -1.457069    4.995264
     36          1           0        0.011047   -0.251910    4.586755
     37          1           0       -0.192186   -1.972682    4.113366
     38          6           0       -4.606180    1.098244    2.909903
     39          8           0       -4.855452    1.672551    1.836261
     40          7           0       -3.533014    1.349089    3.709140
     41          1           0       -5.247660    0.284588    3.304299
     42          6           0       -2.536229    2.368038    3.366955
     43          1           0       -2.623621    2.624200    2.303062
     44          1           0       -2.685956    3.273559    3.977889
     45          1           0       -1.530238    1.968767    3.568184
     46          6           0       -3.254360    0.540754    4.896517
     47          1           0       -4.068720   -0.179323    5.055421
     48          1           0       -2.306234   -0.006796    4.759057
     49          1           0       -3.160185    1.189975    5.781821
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490014   0.000000
     3  O    3.726038   1.243367   0.000000
     4  N    3.311957   1.360849   2.315747   0.000000
     5  H    3.957168   1.108493   2.058016   2.057807   0.000000
     6  C    3.838096   2.467157   3.636396   1.463573   2.563718
     7  H    4.252271   2.552235   3.795227   2.104876   2.158826
     8  H    3.361878   3.158468   4.240959   2.109509   3.296149
     9  H    4.790760   3.207337   4.308324   2.108848   3.358356
    10  C    3.453515   2.470377   2.865614   1.465041   3.419072
    11  H    3.156733   3.256922   3.745794   2.101218   4.088888
    12  H    3.319831   2.568224   2.460047   2.102255   3.652603
    13  H    4.551545   3.100938   3.468510   2.119056   3.992980
    14  C    3.543463   6.484569   6.156115   6.385382   7.168486
    15  O    3.928406   7.197207   7.008728   7.054821   7.760217
    16  N    3.297020   5.762589   5.255915   5.927576   6.427521
    17  H    3.910200   6.619218   6.279378   6.368555   7.422670
    18  C    3.526282   5.873556   5.383778   6.278055   6.322253
    19  H    3.208978   5.018877   4.493721   5.596312   5.399642
    20  H    4.620096   6.742655   6.126251   7.245803   7.180207
    21  H    3.469429   6.234929   5.943042   6.536783   6.574191
    22  C    3.681338   5.286912   4.555915   5.521069   6.103514
    23  H    4.690198   6.001116   5.114298   6.387427   6.789032
    24  H    3.190647   4.248607   3.467794   4.614764   5.060295
    25  H    3.968560   5.560359   4.898362   5.563887   6.486597
    26  C    3.643008   5.429828   6.150527   4.318364   5.867773
    27  O    4.112236   5.808952   6.680130   4.763107   6.024721
    28  N    3.279552   5.759927   6.245213   4.810026   6.320663
    29  H    3.999227   5.125467   5.845728   3.875863   5.663809
    30  C    3.636800   5.880732   6.131157   4.956803   6.649158
    31  H    4.656441   6.969902   7.187808   6.023004   7.748947
    32  H    3.152770   5.642503   5.700682   4.937908   6.453974
    33  H    3.895219   5.446890   5.723730   4.408928   6.281678
    34  C    3.537137   6.585849   7.023060   5.824118   7.031369
    35  H    4.634150   7.635503   8.080102   6.804439   8.089879
    36  H    3.466390   6.452450   7.010155   5.757988   6.729788
    37  H    3.250723   6.564653   6.819650   5.974069   7.068908
    38  C    3.479532   4.971183   5.288825   5.429161   4.633838
    39  O    3.782854   4.280047   4.613206   4.959050   3.763069
    40  N    3.290991   5.286364   5.808028   5.406838   5.007573
    41  H    3.889910   5.709712   5.829185   6.225278   5.480541
    42  C    3.483845   4.916798   5.717764   4.805537   4.539582
    43  H    3.371545   4.004064   4.880704   4.007685   3.510038
    44  H    4.582322   5.794491   6.659649   5.681876   5.280910
    45  H    3.201052   5.035322   5.866660   4.640714   4.853362
    46  C    3.705781   6.399094   6.835786   6.369728   6.278834
    47  H    4.081551   6.848842   7.109628   6.968586   6.766735
    48  H    3.181335   6.231392   6.666348   6.014106   6.279185
    49  H    4.675755   7.230283   7.770072   7.130859   7.019187
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098835   0.000000
     8  H    1.101939   1.796381   0.000000
     9  H    1.102266   1.795956   1.792615   0.000000
    10  C    2.489239   3.417530   2.778700   2.742599   0.000000
    11  H    2.630771   3.667449   2.474111   2.887747   1.101214
    12  H    3.395469   4.192834   3.655724   3.783081   1.097833
    13  H    2.904281   3.837920   3.368231   2.733624   1.102535
    14  C    7.168356   7.736784   6.651293   7.962520   5.883426
    15  O    7.645542   8.150990   6.994978   8.477733   6.677565
    16  N    6.880533   7.344788   6.543130   7.735662   5.574766
    17  H    7.191474   7.889824   6.691183   7.865931   5.626612
    18  C    7.154674   7.410171   6.850192   8.124200   6.255009
    19  H    6.518707   6.676986   6.346498   7.512797   5.751807
    20  H    8.184601   8.411840   7.925510   9.150592   7.201783
    21  H    7.215519   7.427253   6.775026   8.218182   6.604036
    22  C    6.695790   7.223421   6.558453   7.450683   5.007671
    23  H    7.629731   8.103803   7.566673   8.381807   5.905859
    24  H    5.854601   6.317728   5.842734   6.629041   4.259306
    25  H    6.726277   7.397135   6.555172   7.360368   4.777102
    26  C    3.893456   4.692722   2.901241   4.196298   3.999116
    27  O    4.006244   4.581069   2.922791   4.336240   4.785480
    28  N    4.746711   5.550918   3.821762   5.190532   4.291693
    29  H    3.505699   4.458550   2.709989   3.575833   3.352017
    30  C    5.244098   6.174868   4.529889   5.594686   4.048041
    31  H    6.263833   7.211098   5.520328   6.533485   5.042672
    32  H    5.470333   6.334189   4.846342   5.967605   4.056982
    33  H    4.740161   5.760703   4.177054   4.928818   3.318041
    34  C    5.733312   6.367765   4.743973   6.324212   5.493901
    35  H    6.640936   7.304166   5.621331   7.134698   6.385395
    36  H    5.484659   5.959433   4.448863   6.151948   5.703645
    37  H    6.125102   6.738895   5.232206   6.811520   5.600123
    38  C    5.530427   5.194124   5.204410   6.623381   6.303880
    39  O    5.110611   4.612740   5.028327   6.188299   6.020767
    40  N    5.242484   5.005544   4.676679   6.285465   6.195969
    41  H    6.474280   6.214192   6.125375   7.573540   6.961712
    42  C    4.283953   3.977975   3.666217   5.242728   5.713187
    43  H    3.505918   3.046418   3.124211   4.502239   5.097939
    44  H    4.974061   4.528791   4.376232   5.842199   6.661064
    45  H    4.044406   3.996922   3.201155   4.918496   5.330758
    46  C    6.226109   6.162949   5.487066   7.220290   6.912902
    47  H    7.007140   6.944522   6.338814   8.038622   7.461303
    48  H    5.899276   6.027642   5.059169   6.835443   6.353784
    49  H    6.796516   6.668523   6.001241   7.736695   7.724636
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796151   0.000000
    13  H    1.791205   1.798173   0.000000
    14  C    5.479594   5.272275   6.822093   0.000000
    15  O    6.155317   6.202691   7.656989   1.242906   0.000000
    16  N    5.420791   4.825579   6.535633   1.360970   2.316164
    17  H    5.172437   5.000321   6.454988   1.108170   2.057539
    18  C    6.193971   5.568510   7.280830   2.469532   2.864979
    19  H    5.847499   5.076878   6.772650   3.266791   3.771199
    20  H    7.198238   6.436015   8.192727   3.085729   3.430164
    21  H    6.404381   6.064818   7.674820   2.573254   2.475543
    22  C    5.071918   4.071985   5.839544   2.465947   3.636064
    23  H    6.073065   4.903404   6.672622   3.175374   4.278377
    24  H    4.496464   3.313110   5.111264   3.194355   4.278836
    25  H    4.742691   3.848241   5.500951   2.549300   3.791325
    26  C    2.960695   4.606365   4.593604   5.643613   5.737542
    27  O    3.859633   5.484129   5.383764   6.408436   6.331790
    28  N    3.253690   4.592144   5.012559   4.466624   4.524295
    29  H    2.308924   4.079562   3.742998   6.074374   6.364943
    30  C    3.072078   4.116733   4.660787   4.034921   4.393814
    31  H    4.065277   5.090870   5.545208   4.432741   4.674242
    32  H    3.267293   3.848364   4.801776   2.994874   3.517954
    33  H    2.352054   3.494112   3.751506   4.750597   5.286943
    34  C    4.536970   5.674550   6.326027   4.143618   3.802223
    35  H    5.369635   6.592825   7.133544   4.786019   4.314285
    36  H    4.811782   5.977268   6.581683   4.689953   4.247228
    37  H    4.750129   5.567897   6.507172   3.104289   2.704980
    38  C    6.253384   6.261577   7.339156   5.731872   5.613336
    39  O    6.170832   5.997256   6.982332   6.396905   6.479084
    40  N    5.927332   6.319111   7.223901   5.670149   5.387167
    41  H    6.896707   6.775034   8.029362   5.418273   5.209535
    42  C    5.405254   6.084653   6.637060   6.434574   6.248366
    43  H    4.972944   5.499145   5.973905   6.660743   6.672175
    44  H    6.344552   7.105695   7.525604   7.431714   7.145475
    45  H    4.833441   5.774653   6.234860   6.063116   5.853683
    46  C    6.461417   6.981788   7.964889   5.233389   4.653509
    47  H    7.073140   7.379276   8.545728   4.981708   4.326595
    48  H    5.775211   6.433039   7.393018   4.542521   3.953506
    49  H    7.216149   7.893987   8.739319   6.188868   5.497266
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056692   0.000000
    18  C    1.464991   3.417492   0.000000
    19  H    2.099595   4.089381   1.101699   0.000000
    20  H    2.121500   3.989695   1.102828   1.790994   0.000000
    21  H    2.102273   3.652322   1.097551   1.797686   1.797093
    22  C    1.463227   2.559932   2.491224   2.618280   2.926022
    23  H    2.115155   3.304074   2.798776   2.947041   2.812746
    24  H    2.107055   3.347798   2.732141   2.400217   3.325308
    25  H    2.104535   2.153330   3.418060   3.635901   3.884320
    26  C    6.140358   5.470270   6.800573   6.757806   7.876330
    27  O    6.873595   6.395429   7.325753   7.235083   8.414610
    28  N    5.148422   4.248086   5.935464   6.079228   6.963837
    29  H    6.464906   5.761172   7.232270   7.106570   8.297619
    30  C    4.748473   3.481503   5.831581   6.044169   6.775860
    31  H    5.351228   3.746320   6.511408   6.859026   7.382763
    32  H    3.682022   2.426324   4.841124   5.117076   5.742802
    33  H    5.249887   4.132287   6.353693   6.416288   7.304772
    34  C    5.007719   4.173483   5.610023   5.927295   6.587356
    35  H    5.814929   4.713031   6.474964   6.894324   7.389445
    36  H    5.385679   4.923278   5.724662   5.933436   6.730366
    37  H    4.055169   3.235082   4.688382   5.136968   5.611688
    38  C    5.214745   6.574039   4.324897   3.765242   5.094747
    39  O    5.695268   7.156951   4.843435   4.044189   5.579718
    40  N    5.463358   6.437897   4.823135   4.475689   5.713407
    41  H    4.870576   6.374208   3.766887   3.344898   4.382046
    42  C    6.302135   7.024231   5.901469   5.477383   6.879367
    43  H    6.354159   7.189997   5.980767   5.382923   6.960809
    44  H    7.337494   8.044728   6.861412   6.449403   7.796593
    45  H    6.131446   6.534171   5.968014   5.678308   7.006462
    46  C    5.321770   6.050663   4.741193   4.730253   5.579285
    47  H    4.995344   5.926998   4.205868   4.305493   4.894593
    48  H    4.841427   5.247481   4.558613   4.674864   5.482825
    49  H    6.376488   6.976371   5.802021   5.816277   6.597556
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391848   0.000000
    23  H    3.830704   1.102383   0.000000
    24  H    3.612482   1.102465   1.789927   0.000000
    25  H    4.179206   1.098911   1.797511   1.795160   0.000000
    26  C    6.535590   6.463905   7.566081   6.200633   6.165671
    27  O    6.921813   7.331991   8.428530   7.010301   7.161968
    28  N    5.664719   5.593855   6.682714   5.535022   5.245114
    29  H    7.120162   6.542428   7.627873   6.203303   6.144498
    30  C    5.788214   4.932769   5.978400   5.008223   4.339830
    31  H    6.430157   5.587012   6.568512   5.824489   4.885880
    32  H    4.886838   3.883885   4.918004   4.067263   3.315274
    33  H    6.441179   5.149545   6.179289   5.068692   4.490379
    34  C    5.101522   5.810467   6.847709   5.900108   5.613250
    35  H    5.925142   6.646497   7.652214   6.840957   6.356536
    36  H    5.093448   6.265918   7.297997   6.228881   6.231337
    37  H    4.190689   4.981463   5.967576   5.206269   4.839886
    38  C    3.838628   5.950476   6.588959   5.417163   6.701200
    39  O    4.606942   6.157168   6.745643   5.436131   6.927925
    40  N    4.162969   6.317923   7.105207   5.873705   6.901943
    41  H    3.189367   5.751697   6.270285   5.368660   6.590933
    42  C    5.350033   6.977851   7.866324   6.420919   7.415068
    43  H    5.614547   6.814754   7.680446   6.111214   7.263916
    44  H    6.237313   8.060137   8.931826   7.507672   8.509010
    45  H    5.404613   6.819440   7.791533   6.347619   7.106888
    46  C    3.843309   6.430740   7.220123   6.229932   6.949502
    47  H    3.218024   6.211008   6.875650   6.112591   6.835708
    48  H    3.699648   5.950967   6.828005   5.833965   6.322412
    49  H    4.859023   7.511194   8.307732   7.320052   7.994068
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242729   0.000000
    28  N    1.360885   2.314814   0.000000
    29  H    1.107857   2.057552   2.057214   0.000000
    30  C    2.466179   3.635042   1.463236   2.562668   0.000000
    31  H    3.134849   4.226975   2.116908   3.257174   1.103008
    32  H    3.232806   4.324471   2.108067   3.396157   1.101960
    33  H    2.554860   3.797250   2.103504   2.164138   1.098552
    34  C    2.462506   2.850885   1.465216   3.413608   2.497076
    35  H    3.023021   3.322791   2.123342   3.939758   2.952826
    36  H    2.585274   2.500081   2.100415   3.659558   3.388839
    37  H    3.293131   3.807777   2.098588   4.116637   2.614180
    38  C    6.208626   6.004984   6.109735   6.805002   6.892220
    39  O    6.583669   6.409513   6.642542   7.011946   7.345162
    40  N    5.293108   4.928666   5.262761   6.025190   6.256625
    41  H    6.837213   6.719290   6.536025   7.482117   7.216816
    42  C    4.609414   4.033244   4.948485   5.272634   6.090197
    43  H    4.751444   4.302594   5.208419   5.203747   6.210395
    44  H    5.311243   4.526516   5.761989   6.004334   7.001306
    45  H    3.598249   2.975882   3.975714   4.353626   5.216602
    46  C    5.325951   4.974560   5.040092   6.229464   6.069008
    47  H    6.156285   5.936558   5.691533   7.036078   6.552481
    48  H    4.434294   4.204854   4.016547   5.380581   5.048349
    49  H    5.738330   5.176636   5.573669   6.707181   6.740640
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788009   0.000000
    33  H    1.798611   1.793865   0.000000
    34  C    2.814475   2.734485   3.420556   0.000000
    35  H    2.856689   3.350884   3.906997   1.103434   0.000000
    36  H    3.844582   3.599855   4.170471   1.097351   1.796189
    37  H    2.943531   2.396376   3.631203   1.099573   1.790860
    38  C    7.815536   6.446291   7.269360   5.765631   6.746145
    39  O    8.348509   6.918034   7.550736   6.541914   7.576408
    40  N    7.118107   5.977410   6.709385   4.803141   5.716771
    41  H    8.073362   6.643395   7.697629   6.028737   6.963221
    42  C    6.984309   6.048509   6.388331   4.752251   5.642403
    43  H    7.194545   6.151616   6.334382   5.290748   6.255639
    44  H    7.842801   7.036810   7.307872   5.479818   6.255605
    45  H    6.056943   5.305088   5.550957   3.802508   4.654373
    46  C    6.762402   5.777305   6.733625   4.199138   4.954786
    47  H    7.208237   6.098656   7.272498   4.771967   5.498311
    48  H    5.691361   4.803189   5.776588   3.104123   3.874405
    49  H    7.360020   6.574353   7.424902   4.636153   5.227756
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796234   0.000000
    38  C    5.094462   5.510196   0.000000
    39  O    5.911986   6.341844   1.242848   0.000000
    40  N    3.986699   4.728498   1.361393   2.315415   0.000000
    41  H    5.439350   5.595327   1.108639   2.058010   2.058414
    42  C    3.852357   4.989341   2.471026   2.864527   1.465922
    43  H    4.519816   5.506396   2.574361   2.470750   2.104746
    44  H    4.480344   5.810361   3.091902   3.443328   2.119746
    45  H    2.888677   4.197931   3.263827   3.760897   2.101185
    46  C    3.374485   4.038267   2.466749   3.634505   1.463187
    47  H    4.107240   4.373914   2.554269   3.796232   2.106062
    48  H    2.336570   2.958179   3.151228   4.226281   2.108492
    49  H    3.682924   4.647060   3.216711   4.321372   2.111948
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420021   0.000000
    43  H    3.655385   1.097781   0.000000
    44  H    3.993745   1.102555   1.797387   0.000000
    45  H    4.089660   1.100876   1.795999   1.790538   0.000000
    46  C    2.563986   2.488822   3.385939   2.938568   2.603130
    47  H    2.161375   3.418844   4.186111   3.872403   3.642808
    48  H    3.294422   2.762369   3.613140   3.393397   2.433762
    49  H    3.363836   2.758393   3.800877   2.796495   2.857172
                   46         47         48         49
    46  C    0.000000
    47  H    1.098610   0.000000
    48  H    1.103472   1.795538   0.000000
    49  H    1.101871   1.796682   1.790961   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2145799      0.1945768      0.1849557
 Leave Link  202 at Mon Nov 14 03:52:52 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.6470035591 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1844207616 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.4625827975 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4034
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.84D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     219
 GePol: Fraction of low-weight points (<1% of avg)   =       5.43%
 GePol: Cavity surface area                          =    467.265 Ang**2
 GePol: Cavity volume                                =    458.160 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039840950 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.4585987025 Hartrees.
 Leave Link  301 at Mon Nov 14 03:52:52 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:52:53 2016, MaxMem=  2952790016 cpu:        15.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:52:53 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000246    0.000739   -0.001154
         Rot=    1.000000    0.000027   -0.000067    0.000030 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 03:52:54 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48819468.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.03D-14 for   3791.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.88D-15 for   3625   2499.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.01D-14 for   3791.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.13D-09 for   2459   2458.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.07D-14 for    109.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.19D-14 for   2437    163.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.55D-15 for    448.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.88D-16 for   2425    152.
 E= -1013.45138638632    
 DIIS: error= 1.09D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45138638632     IErMin= 1 ErrMin= 1.09D-04
 ErrMax= 1.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-05 BMatP= 1.34D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.09D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.07D-05 MaxDP=6.43D-04              OVMax= 9.38D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.07D-05    CP:  1.00D+00
 E= -1013.45140821799     Delta-E=       -0.000021831662 Rises=F Damp=F
 DIIS: error= 2.27D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45140821799     IErMin= 2 ErrMin= 2.27D-05
 ErrMax= 2.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.59D-07 BMatP= 1.34D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.419D-01 0.958D+00
 Coeff:      0.419D-01 0.958D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.89D-06 MaxDP=3.98D-04 DE=-2.18D-05 OVMax= 6.40D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.79D-06    CP:  1.00D+00  9.48D-01
 E= -1013.45140631616     Delta-E=        0.000001901822 Rises=F Damp=F
 DIIS: error= 6.40D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45140821799     IErMin= 2 ErrMin= 2.27D-05
 ErrMax= 6.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-06 BMatP= 4.59D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.422D-02 0.716D+00 0.280D+00
 Coeff:      0.422D-02 0.716D+00 0.280D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.36D-06 MaxDP=3.26D-04 DE= 1.90D-06 OVMax= 5.21D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.55D-06    CP:  1.00D+00  9.67D-01  2.98D-01
 E= -1013.45140858208     Delta-E=       -0.000002265915 Rises=F Damp=F
 DIIS: error= 7.00D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45140858208     IErMin= 4 ErrMin= 7.00D-06
 ErrMax= 7.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-08 BMatP= 4.59D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.679D-04 0.265D+00 0.150D+00 0.585D+00
 Coeff:      0.679D-04 0.265D+00 0.150D+00 0.585D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.07D-07 MaxDP=2.93D-05 DE=-2.27D-06 OVMax= 5.98D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.43D-07    CP:  1.00D+00  9.72D-01  3.27D-01  6.21D-01
 E= -1013.45140861552     Delta-E=       -0.000000033439 Rises=F Damp=F
 DIIS: error= 2.61D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45140861552     IErMin= 5 ErrMin= 2.61D-06
 ErrMax= 2.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.59D-09 BMatP= 4.17D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-04 0.139D+00 0.833D-01 0.372D+00 0.406D+00
 Coeff:      0.172D-04 0.139D+00 0.833D-01 0.372D+00 0.406D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.62D-07 MaxDP=1.02D-05 DE=-3.34D-08 OVMax= 1.13D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.21D-07    CP:  1.00D+00  9.72D-01  3.22D-01  6.27D-01  7.01D-01
 E= -1013.45140861956     Delta-E=       -0.000000004041 Rises=F Damp=F
 DIIS: error= 3.77D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45140861956     IErMin= 6 ErrMin= 3.77D-07
 ErrMax= 3.77D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-10 BMatP= 4.59D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.150D-04 0.501D-01 0.309D-01 0.144D+00 0.197D+00 0.578D+00
 Coeff:     -0.150D-04 0.501D-01 0.309D-01 0.144D+00 0.197D+00 0.578D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.50D-08 MaxDP=1.86D-06 DE=-4.04D-09 OVMax= 2.38D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.91D-08    CP:  1.00D+00  9.72D-01  3.22D-01  6.32D-01  7.09D-01
                    CP:  8.57D-01
 E= -1013.45140861967     Delta-E=       -0.000000000114 Rises=F Damp=F
 DIIS: error= 1.18D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45140861967     IErMin= 7 ErrMin= 1.18D-07
 ErrMax= 1.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-11 BMatP= 1.10D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-04 0.114D-01 0.741D-02 0.362D-01 0.616D-01 0.336D+00
 Coeff-Com:  0.548D+00
 Coeff:     -0.156D-04 0.114D-01 0.741D-02 0.362D-01 0.616D-01 0.336D+00
 Coeff:      0.548D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.31D-08 MaxDP=5.99D-07 DE=-1.14D-10 OVMax= 1.06D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.74D-09    CP:  1.00D+00  9.72D-01  3.22D-01  6.32D-01  7.04D-01
                    CP:  8.65D-01  6.79D-01
 E= -1013.45140861961     Delta-E=        0.000000000058 Rises=F Damp=F
 DIIS: error= 3.94D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45140861967     IErMin= 8 ErrMin= 3.94D-08
 ErrMax= 3.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-12 BMatP= 1.94D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.900D-05 0.433D-02 0.289D-02 0.142D-01 0.259D-01 0.162D+00
 Coeff-Com:  0.308D+00 0.482D+00
 Coeff:     -0.900D-05 0.433D-02 0.289D-02 0.142D-01 0.259D-01 0.162D+00
 Coeff:      0.308D+00 0.482D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.86D-09 MaxDP=3.66D-07 DE= 5.82D-11 OVMax= 6.29D-07

 Error on total polarization charges =  0.04319
 SCF Done:  E(RB97D) =  -1013.45140862     A.U. after    8 cycles
            NFock=  8  Conv=0.49D-08     -V/T= 2.0213
 KE= 9.923501341429D+02 PE=-6.030475629517D+03 EE= 2.175215488052D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:54:37 2016, MaxMem=  2952790016 cpu:      1172.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 03:54:45 2016, MaxMem=  2952790016 cpu:        97.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:54:45 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:55:22 2016, MaxMem=  2952790016 cpu:       440.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24194340D+00-2.54603898D+00 3.32439668D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000160765    0.000041933    0.000002303
      2        6           0.000103212    0.000039272    0.000021230
      3        8           0.000009013    0.000015461   -0.000022982
      4        7           0.000090828    0.000106745    0.000042911
      5        1          -0.000012424    0.000004297    0.000043659
      6        6          -0.000157368   -0.000145706   -0.000161837
      7        1           0.000027958    0.000044721    0.000013050
      8        1           0.000035687    0.000033138    0.000024564
      9        1           0.000059470    0.000087320    0.000147383
     10        6          -0.000044889    0.000122574   -0.000030962
     11        1           0.000007101    0.000042367   -0.000023772
     12        1           0.000022037    0.000027331    0.000040998
     13        1           0.000027134    0.000030340    0.000014229
     14        6          -0.000026766    0.000007788   -0.000037478
     15        8          -0.000004241   -0.000027022   -0.000038061
     16        7           0.000029882    0.000020247   -0.000000695
     17        1           0.000006557   -0.000020408   -0.000028443
     18        6           0.000012999   -0.000047479   -0.000060729
     19        1           0.000010878   -0.000019109   -0.000059215
     20        1           0.000008937   -0.000013483   -0.000045505
     21        1          -0.000004062    0.000008106   -0.000039455
     22        6           0.000012298   -0.000023554    0.000023642
     23        1           0.000020091    0.000022595   -0.000069511
     24        1           0.000003095    0.000034379   -0.000024639
     25        1           0.000020600    0.000023568   -0.000036290
     26        6          -0.000027402    0.000010849    0.000062736
     27        8           0.000058257   -0.000008678    0.000069567
     28        7          -0.000006584   -0.000043058    0.000015062
     29        1          -0.000056449   -0.000006436    0.000006682
     30        6          -0.000027633    0.000016043   -0.000004596
     31        1          -0.000015616   -0.000009794    0.000018388
     32        1           0.000028598    0.000005196    0.000002074
     33        1           0.000015006    0.000006715    0.000006539
     34        6          -0.000002363   -0.000044712   -0.000039177
     35        1          -0.000020917   -0.000020413    0.000017395
     36        1          -0.000014860   -0.000006030    0.000024385
     37        1          -0.000013667   -0.000016180   -0.000001284
     38        6           0.000162197   -0.000033507    0.000175728
     39        8          -0.000035110    0.000098721   -0.000100053
     40        7          -0.000155622   -0.000001612   -0.000118448
     41        1           0.000004930   -0.000041494   -0.000012601
     42        6          -0.000185752   -0.000156923    0.000158304
     43        1          -0.000003399   -0.000039671    0.000000865
     44        1           0.000109737    0.000024450   -0.000037999
     45        1          -0.000106161    0.000007322    0.000023031
     46        6           0.000008432   -0.000059496    0.000017558
     47        1          -0.000034622   -0.000030694   -0.000011615
     48        1          -0.000069632   -0.000042384    0.000037223
     49        1          -0.000030160   -0.000023635   -0.000004160
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000185752 RMS     0.000058742
 Leave Link  716 at Mon Nov 14 03:55:22 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000140023 RMS     0.000011817
 Search for a local minimum.
 Step number  83 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .11817D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   56   60   61   62   64
                                                     67   68   69   70   71
                                                     72   73   74   75   76
                                                     77   78   79   80   81
                                                     82   83
 DE= -3.39D-06 DEPred=-2.84D-06 R= 1.19D+00
 TightC=F SS=  1.41D+00  RLast= 7.16D-02 DXNew= 5.9730D-01 2.1477D-01
 Trust test= 1.19D+00 RLast= 7.16D-02 DXMaxT set to 3.55D-01
 ITU=  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1
 ITU= -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1
 ITU=  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  0
     Eigenvalues ---    0.00016   0.00059   0.00106   0.00111   0.00139
     Eigenvalues ---    0.00175   0.00202   0.00211   0.00280   0.00373
     Eigenvalues ---    0.00427   0.00445   0.00576   0.00652   0.00689
     Eigenvalues ---    0.00751   0.00826   0.00841   0.00953   0.01019
     Eigenvalues ---    0.01045   0.01133   0.01185   0.01222   0.01281
     Eigenvalues ---    0.01308   0.01448   0.01488   0.01550   0.01626
     Eigenvalues ---    0.01701   0.01735   0.01782   0.01824   0.01852
     Eigenvalues ---    0.01916   0.02006   0.02056   0.02126   0.02198
     Eigenvalues ---    0.02252   0.02347   0.02629   0.02687   0.02883
     Eigenvalues ---    0.03103   0.03245   0.03609   0.03872   0.04314
     Eigenvalues ---    0.04481   0.05018   0.05498   0.05605   0.06014
     Eigenvalues ---    0.06190   0.06254   0.06318   0.06440   0.06712
     Eigenvalues ---    0.07076   0.07332   0.07504   0.07715   0.07896
     Eigenvalues ---    0.08071   0.08167   0.08203   0.08318   0.08364
     Eigenvalues ---    0.08654   0.08738   0.08933   0.09121   0.09233
     Eigenvalues ---    0.09400   0.09652   0.09889   0.09967   0.10150
     Eigenvalues ---    0.10163   0.10432   0.10500   0.10822   0.10889
     Eigenvalues ---    0.11187   0.11269   0.11398   0.11856   0.13299
     Eigenvalues ---    0.13433   0.14240   0.14906   0.15151   0.15538
     Eigenvalues ---    0.15547   0.16107   0.21564   0.22455   0.22936
     Eigenvalues ---    0.23682   0.24581   0.24711   0.25791   0.26637
     Eigenvalues ---    0.27139   0.27408   0.28572   0.29302   0.29836
     Eigenvalues ---    0.29866   0.30729   0.32795   0.32824   0.32831
     Eigenvalues ---    0.32936   0.33302   0.33355   0.33374   0.33388
     Eigenvalues ---    0.33412   0.33423   0.33517   0.33553   0.33696
     Eigenvalues ---    0.33797   0.33819   0.33839   0.33929   0.33953
     Eigenvalues ---    0.34086   0.34203   0.34267   0.37291   0.39082
     Eigenvalues ---    0.40510   0.41157   0.85942   0.86201   0.86526
     Eigenvalues ---    0.91564
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    83   82   81   80   79
 RFO step:  Lambda=-3.16283808D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  4.28D-06 SmlDif=  1.00D-05
 RMS Error=  0.4158572971D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.36951   -0.53840    0.05213    0.03177    0.08499
 Iteration  1 RMS(Cart)=  0.00058348 RMS(Int)=  0.00000359
 Iteration  2 RMS(Cart)=  0.00000272 RMS(Int)=  0.00000162
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000162
 ITry= 1 IFail=0 DXMaxC= 5.63D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59517  -0.00002  -0.00029  -0.00088  -0.00117   6.59400
    R2        6.25869   0.00003   0.00093   0.00056   0.00149   6.26018
    R3        7.25295   0.00000   0.00000   0.00085   0.00085   7.25380
    R4        6.35303   0.00003  -0.00014   0.00053   0.00039   6.35342
    R5        6.52620   0.00001   0.00085   0.00011   0.00096   6.52716
    R6        5.96536   0.00003  -0.00017   0.00015  -0.00002   5.96534
    R7        6.69617   0.00000   0.00074   0.00048   0.00122   6.69739
    R8        6.23047   0.00000   0.00083   0.00003   0.00087   6.23133
    R9        6.66371   0.00000   0.00077   0.00026   0.00103   6.66474
   R10        6.06409   0.00000   0.00078   0.00013   0.00091   6.06500
   R11        6.95672   0.00000   0.00066  -0.00019   0.00047   6.95719
   R12        6.02945  -0.00001   0.00026  -0.00006   0.00020   6.02965
   R13        6.88429   0.00001   0.00039   0.00037   0.00076   6.88505
   R14        6.19745   0.00000  -0.00086  -0.00002  -0.00088   6.19658
   R15        6.87256  -0.00003  -0.00127  -0.00064  -0.00191   6.87064
   R16        5.95787   0.00000  -0.00149  -0.00093  -0.00242   5.95546
   R17        6.68422   0.00002  -0.00008   0.00038   0.00029   6.68451
   R18        6.57536  -0.00001   0.00117  -0.00004   0.00113   6.57649
   R19        6.21907   0.00000   0.00036   0.00039   0.00074   6.21982
   R20        6.58351  -0.00002   0.00029  -0.00039  -0.00009   6.58342
   R21        6.04911  -0.00001   0.00197  -0.00106   0.00091   6.05002
   R22        7.00291   0.00000   0.00081   0.00109   0.00189   7.00480
   R23        6.01185   0.00003   0.00020   0.00166   0.00186   6.01371
   R24        2.34962   0.00003   0.00000   0.00001   0.00002   2.34964
   R25        2.57163  -0.00002  -0.00004  -0.00004  -0.00008   2.57155
   R26        2.09475   0.00000   0.00000  -0.00002  -0.00001   2.09474
   R27        2.76575  -0.00008   0.00009  -0.00018  -0.00010   2.76565
   R28        2.76853  -0.00004   0.00005  -0.00010  -0.00005   2.76848
   R29        2.07650   0.00000   0.00000   0.00001   0.00001   2.07651
   R30        2.08236   0.00002  -0.00017   0.00008  -0.00009   2.08227
   R31        2.08298   0.00001  -0.00003   0.00002  -0.00001   2.08297
   R32        2.08099  -0.00001   0.00000   0.00000  -0.00001   2.08099
   R33        2.07460   0.00000   0.00000  -0.00001  -0.00001   2.07460
   R34        2.08349   0.00001  -0.00002   0.00000  -0.00002   2.08347
   R35        2.34875   0.00000   0.00001  -0.00001   0.00000   2.34875
   R36        2.57186  -0.00001  -0.00003  -0.00005  -0.00008   2.57178
   R37        2.09414   0.00000   0.00000   0.00000   0.00000   2.09414
   R38        2.76843  -0.00001  -0.00004  -0.00006  -0.00010   2.76833
   R39        2.76510   0.00000  -0.00005  -0.00005  -0.00009   2.76501
   R40        2.08191   0.00000  -0.00008   0.00001  -0.00007   2.08184
   R41        2.08404   0.00000   0.00001   0.00000   0.00001   2.08406
   R42        2.07407   0.00001  -0.00001   0.00001   0.00000   2.07407
   R43        2.08320   0.00000   0.00000   0.00001   0.00001   2.08321
   R44        2.08336   0.00002  -0.00008   0.00009   0.00001   2.08337
   R45        2.07664   0.00000   0.00000   0.00000   0.00000   2.07664
   R46        2.34842   0.00001  -0.00001  -0.00001  -0.00001   2.34840
   R47        2.57170   0.00000  -0.00003   0.00000  -0.00003   2.57166
   R48        2.09355   0.00000   0.00002  -0.00001   0.00001   2.09356
   R49        2.76512   0.00000   0.00008  -0.00003   0.00005   2.76517
   R50        2.76886  -0.00002   0.00003  -0.00003   0.00000   2.76885
   R51        2.08438   0.00000   0.00001   0.00001   0.00001   2.08440
   R52        2.08240  -0.00003   0.00006  -0.00008  -0.00002   2.08238
   R53        2.07596   0.00000  -0.00001   0.00002   0.00001   2.07597
   R54        2.08519   0.00000   0.00000   0.00001   0.00001   2.08520
   R55        2.07369   0.00001  -0.00001   0.00000  -0.00001   2.07368
   R56        2.07789   0.00000  -0.00001  -0.00001  -0.00001   2.07788
   R57        2.34864   0.00014  -0.00009   0.00011   0.00002   2.34866
   R58        2.57266  -0.00013   0.00000  -0.00020  -0.00020   2.57246
   R59        2.09502   0.00001   0.00002  -0.00001   0.00001   2.09503
   R60        2.77019  -0.00003  -0.00017  -0.00013  -0.00031   2.76989
   R61        2.76502   0.00003   0.00012   0.00003   0.00014   2.76517
   R62        2.07451   0.00001  -0.00001   0.00003   0.00002   2.07452
   R63        2.08353  -0.00002   0.00007  -0.00003   0.00005   2.08357
   R64        2.08035  -0.00005   0.00004  -0.00016  -0.00012   2.08023
   R65        2.07607   0.00001  -0.00001   0.00002   0.00002   2.07609
   R66        2.08526  -0.00001  -0.00009   0.00002  -0.00007   2.08519
   R67        2.08223   0.00000  -0.00006   0.00001  -0.00005   2.08218
    A1        0.68041  -0.00001   0.00001  -0.00007  -0.00005   0.68035
    A2        0.95749  -0.00001  -0.00001  -0.00012  -0.00013   0.95736
    A3        0.72743  -0.00001   0.00003   0.00000   0.00004   0.72746
    A4        1.01969  -0.00001  -0.00006   0.00000  -0.00005   1.01964
    A5        2.34619   0.00001  -0.00002   0.00007   0.00006   2.34625
    A6        2.02790   0.00001   0.00001   0.00004   0.00005   2.02795
    A7        1.98401   0.00001   0.00003  -0.00008  -0.00005   1.98397
    A8        1.69214   0.00000   0.00008  -0.00009   0.00000   1.69214
    A9        1.65726   0.00001   0.00006   0.00007   0.00013   1.65739
   A10        1.37605   0.00000   0.00012   0.00005   0.00017   1.37622
   A11        1.73000   0.00000   0.00008   0.00007   0.00015   1.73015
   A12        2.03463   0.00000   0.00005   0.00013   0.00018   2.03481
   A13        1.94067   0.00000   0.00004   0.00025   0.00029   1.94096
   A14        2.02816   0.00000  -0.00002   0.00032   0.00030   2.02846
   A15        2.42901   0.00000   0.00006   0.00003   0.00009   2.42911
   A16        1.58831   0.00001   0.00021   0.00030   0.00050   1.58881
   A17        1.78731   0.00000   0.00021   0.00040   0.00061   1.78792
   A18        1.56494   0.00000   0.00024   0.00050   0.00074   1.56567
   A19        1.70220   0.00000   0.00049   0.00052   0.00101   1.70321
   A20        2.19108   0.00000   0.00018   0.00034   0.00051   2.19160
   A21        2.41037   0.00000   0.00033   0.00030   0.00064   2.41101
   A22        0.64304  -0.00001  -0.00006  -0.00006  -0.00011   0.64292
   A23        0.65998  -0.00001  -0.00012  -0.00003  -0.00015   0.65983
   A24        2.39623   0.00001  -0.00004   0.00005   0.00001   2.39624
   A25        2.22540   0.00001  -0.00003  -0.00001  -0.00004   2.22536
   A26        2.32600   0.00001  -0.00001  -0.00010  -0.00011   2.32589
   A27        2.06338   0.00000   0.00005  -0.00010  -0.00005   2.06333
   A28        1.81775   0.00001   0.00002  -0.00002   0.00000   1.81775
   A29        1.57774   0.00001   0.00007   0.00001   0.00007   1.57781
   A30        1.33692   0.00000   0.00008   0.00003   0.00011   1.33703
   A31        1.63583   0.00000   0.00005   0.00010   0.00015   1.63598
   A32        1.58634   0.00000   0.00005   0.00023   0.00028   1.58663
   A33        1.73792   0.00000   0.00002   0.00030   0.00033   1.73825
   A34        2.03263   0.00000   0.00007   0.00001   0.00008   2.03270
   A35        1.85216   0.00000   0.00024   0.00041   0.00065   1.85281
   A36        1.91881  -0.00001   0.00027   0.00055   0.00082   1.91963
   A37        1.57023   0.00000   0.00032   0.00061   0.00092   1.57115
   A38        1.58591   0.00000   0.00058   0.00062   0.00120   1.58711
   A39        2.27389   0.00000   0.00026   0.00050   0.00076   2.27466
   A40        2.36826   0.00000   0.00052   0.00040   0.00092   2.36918
   A41        0.68906  -0.00001  -0.00008  -0.00008  -0.00016   0.68891
   A42        0.74728  -0.00001  -0.00018  -0.00004  -0.00022   0.74705
   A43        2.65934   0.00000   0.00000  -0.00001  -0.00001   2.65934
   A44        2.60414   0.00000   0.00000  -0.00011  -0.00010   2.60404
   A45        2.66273  -0.00001   0.00005  -0.00013  -0.00008   2.66265
   A46        2.35890  -0.00001   0.00011  -0.00010   0.00001   2.35891
   A47        2.19651   0.00000   0.00005  -0.00011  -0.00006   2.19645
   A48        1.96316  -0.00001   0.00011  -0.00008   0.00002   1.96319
   A49        1.09361   0.00001   0.00009   0.00013   0.00022   1.09383
   A50        1.45314   0.00001   0.00005   0.00015   0.00020   1.45334
   A51        1.55444   0.00001   0.00011   0.00026   0.00037   1.55481
   A52        1.78962   0.00001   0.00012   0.00030   0.00042   1.79004
   A53        1.77961   0.00001   0.00006   0.00004   0.00010   1.77971
   A54        1.71157  -0.00001   0.00020   0.00047   0.00067   1.71224
   A55        1.64695   0.00000   0.00024   0.00063   0.00087   1.64782
   A56        1.24671   0.00001   0.00028   0.00068   0.00096   1.24767
   A57        1.21234   0.00001   0.00054   0.00071   0.00125   1.21359
   A58        1.94132   0.00001   0.00022   0.00059   0.00082   1.94214
   A59        1.99043   0.00001   0.00049   0.00048   0.00097   1.99140
   A60        0.83948  -0.00001  -0.00027   0.00007  -0.00020   0.83928
   A61        0.77619  -0.00001  -0.00040   0.00016  -0.00024   0.77595
   A62        2.59721   0.00000  -0.00015   0.00021   0.00006   2.59727
   A63        2.76809   0.00000  -0.00021   0.00006  -0.00015   2.76794
   A64        2.61731   0.00000   0.00018  -0.00019  -0.00001   2.61730
   A65        2.39443   0.00000  -0.00014  -0.00001  -0.00015   2.39428
   A66        2.20172   0.00000  -0.00005  -0.00001  -0.00006   2.20167
   A67        0.85052   0.00001   0.00002   0.00030   0.00032   0.85084
   A68        1.22607   0.00001  -0.00003   0.00031   0.00027   1.22635
   A69        1.40612   0.00001  -0.00002   0.00046   0.00044   1.40656
   A70        1.67689   0.00000   0.00000   0.00049   0.00049   1.67738
   A71        1.51576   0.00001   0.00003   0.00013   0.00017   1.51593
   A72        1.72860  -0.00001   0.00036   0.00024   0.00060   1.72920
   A73        1.55898   0.00000   0.00041   0.00042   0.00083   1.55981
   A74        1.12981   0.00001   0.00046   0.00044   0.00091   1.13072
   A75        1.01798   0.00001   0.00070   0.00056   0.00125   1.01923
   A76        1.77582   0.00000   0.00039   0.00044   0.00083   1.77665
   A77        1.76710   0.00001   0.00064   0.00037   0.00101   1.76811
   A78        1.99761   0.00001   0.00006   0.00006   0.00012   1.99773
   A79        1.94296   0.00001   0.00008  -0.00004   0.00004   1.94300
   A80        2.22202   0.00000   0.00007  -0.00016  -0.00008   2.22194
   A81        2.08280   0.00000   0.00011  -0.00019  -0.00009   2.08272
   A82        1.55498   0.00001   0.00013  -0.00008   0.00006   1.55503
   A83        1.38988   0.00000   0.00017  -0.00004   0.00013   1.39000
   A84        1.19626   0.00001  -0.00008   0.00000  -0.00008   1.19618
   A85        1.38144   0.00001  -0.00005   0.00012   0.00007   1.38152
   A86        1.21430   0.00001  -0.00001   0.00025   0.00024   1.21454
   A87        1.31984   0.00001   0.00001   0.00033   0.00034   1.32019
   A88        1.80816   0.00001  -0.00003   0.00009   0.00006   1.80822
   A89        2.28296  -0.00001   0.00021   0.00036   0.00057   2.28353
   A90        2.32915  -0.00001   0.00018   0.00055   0.00073   2.32987
   A91        1.93523   0.00000   0.00020   0.00059   0.00080   1.93603
   A92        1.85708   0.00000   0.00042   0.00062   0.00104   1.85812
   A93        2.61502   0.00000   0.00012   0.00051   0.00063   2.61566
   A94        2.55686   0.00001   0.00036   0.00033   0.00069   2.55755
   A95        1.91289   0.00001   0.00019   0.00003   0.00022   1.91311
   A96        1.99405   0.00001   0.00017  -0.00009   0.00009   1.99414
   A97        2.37048   0.00000   0.00012  -0.00017  -0.00005   2.37043
   A98        2.32898  -0.00001   0.00011  -0.00023  -0.00012   2.32886
   A99        1.66590   0.00000   0.00020  -0.00014   0.00006   1.66596
   A100       1.57442   0.00000   0.00019  -0.00009   0.00011   1.57453
   A101       0.89032   0.00001  -0.00007  -0.00001  -0.00008   0.89024
   A102       1.05935   0.00001   0.00002   0.00013   0.00015   1.05951
   A103       0.92854   0.00001   0.00014   0.00026   0.00040   0.92894
   A104       1.08864   0.00001   0.00020   0.00033   0.00054   1.08918
   A105       1.48596   0.00001   0.00004   0.00010   0.00013   1.48610
   A106       2.45806  -0.00001   0.00003   0.00043   0.00046   2.45852
   A107       2.33236   0.00000   0.00001   0.00055   0.00057   2.33293
   A108       1.90018   0.00000   0.00006   0.00056   0.00062   1.90081
   A109       1.72732   0.00001   0.00027   0.00058   0.00085   1.72817
   A110       2.45212   0.00000   0.00001   0.00044   0.00045   2.45257
   A111       2.29234   0.00001   0.00029   0.00027   0.00056   2.29290
   A112       0.71365   0.00000  -0.00011  -0.00005  -0.00015   0.71350
   A113       1.00551   0.00000  -0.00016  -0.00005  -0.00021   1.00530
   A114       0.69563   0.00000  -0.00008  -0.00002  -0.00010   0.69553
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   A116       1.80624  -0.00001  -0.00009  -0.00015  -0.00025   1.80600
   A117       1.42568  -0.00001  -0.00005  -0.00012  -0.00017   1.42552
   A118       1.19322  -0.00001  -0.00013  -0.00024  -0.00037   1.19285
   A119       0.92052   0.00000  -0.00016  -0.00027  -0.00043   0.92009
   A120       1.25027  -0.00001  -0.00005   0.00003  -0.00001   1.25026
   A121       1.90940   0.00000  -0.00020  -0.00047  -0.00066   1.90874
   A122       1.95601   0.00000  -0.00024  -0.00061  -0.00085   1.95517
   A123       2.31423  -0.00001  -0.00027  -0.00065  -0.00092   2.31331
   A124       2.23357  -0.00001  -0.00049  -0.00061  -0.00110   2.23247
   A125       1.61267   0.00000  -0.00022  -0.00055  -0.00076   1.61191
   A126       1.48008  -0.00001  -0.00042  -0.00044  -0.00087   1.47921
   A127       0.65666   0.00000  -0.00011  -0.00002  -0.00013   0.65653
   A128       0.66077   0.00000  -0.00010  -0.00001  -0.00011   0.66066
   A129       2.17071  -0.00001  -0.00015  -0.00024  -0.00039   2.17032
   A130       1.79844  -0.00001  -0.00010  -0.00018  -0.00028   1.79815
   A131       1.50617  -0.00001  -0.00019  -0.00031  -0.00051   1.50567
   A132       1.21442  -0.00001  -0.00024  -0.00032  -0.00057   1.21385
   A133       1.64356  -0.00001  -0.00009   0.00000  -0.00009   1.64346
   A134       1.75560   0.00001  -0.00011  -0.00032  -0.00043   1.75517
   A135       1.95566   0.00000  -0.00020  -0.00048  -0.00067   1.95499
   A136       2.38527  -0.00001  -0.00025  -0.00050  -0.00075   2.38451
   A137       2.46648  -0.00001  -0.00054  -0.00060  -0.00114   2.46533
   A138       1.72355   0.00000  -0.00021  -0.00047  -0.00069   1.72286
   A139       1.68777  -0.00001  -0.00049  -0.00038  -0.00088   1.68689
   A140       0.70458   0.00000  -0.00008  -0.00003  -0.00011   0.70447
   A141       0.83216   0.00000  -0.00009  -0.00011  -0.00021   0.83195
   A142       2.49729  -0.00001  -0.00018  -0.00012  -0.00030   2.49699
   A143       2.11827  -0.00001  -0.00014  -0.00012  -0.00026   2.11801
   A144       1.90224  -0.00001  -0.00024  -0.00031  -0.00055   1.90170
   A145       1.61857  -0.00001  -0.00029  -0.00034  -0.00062   1.61795
   A146       1.83550   0.00000  -0.00012   0.00007  -0.00006   1.83544
   A147       1.33063   0.00001  -0.00004  -0.00027  -0.00031   1.33032
   A148       1.57068   0.00000  -0.00012  -0.00036  -0.00048   1.57020
   A149       2.00138  -0.00001  -0.00016  -0.00036  -0.00052   2.00086
   A150       2.18096  -0.00001  -0.00043  -0.00042  -0.00085   2.18011
   A151       1.42919   0.00000  -0.00015  -0.00033  -0.00048   1.42871
   A152       1.49162  -0.00001  -0.00047  -0.00022  -0.00069   1.49093
   A153       0.76802  -0.00001  -0.00010  -0.00002  -0.00012   0.76790
   A154       0.76889  -0.00001  -0.00007  -0.00013  -0.00021   0.76869
   A155       2.80894  -0.00001  -0.00024  -0.00017  -0.00041   2.80853
   A156       2.42738  -0.00001  -0.00020  -0.00015  -0.00035   2.42703
   A157       2.16194  -0.00001  -0.00030  -0.00033  -0.00064   2.16131
   A158       1.86911  -0.00001  -0.00036  -0.00034  -0.00070   1.86841
   A159       2.14466   0.00000  -0.00017   0.00006  -0.00011   2.14455
   A160       1.19347   0.00002   0.00004  -0.00014  -0.00009   1.19338
   A161       1.51887   0.00000  -0.00004  -0.00021  -0.00025   1.51862
   A162       1.91604   0.00000  -0.00007  -0.00018  -0.00024   1.91580
   A163       2.17663  -0.00001  -0.00026  -0.00024  -0.00050   2.17614
   A164       1.50115   0.00000  -0.00011  -0.00020  -0.00031   1.50084
   A165       1.64118   0.00000  -0.00044  -0.00012  -0.00056   1.64063
   A166       2.16239   0.00000  -0.00014  -0.00034  -0.00048   2.16191
   A167       1.86420  -0.00001  -0.00011  -0.00023  -0.00034   1.86386
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   A170       1.87087  -0.00001  -0.00012  -0.00004  -0.00016   1.87071
   A171       1.96117   0.00001  -0.00005  -0.00015  -0.00020   1.96097
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   A173       2.68307  -0.00001  -0.00018  -0.00024  -0.00041   2.68266
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   A177       2.05278   0.00000  -0.00015  -0.00013  -0.00028   2.05250
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   A179       1.39202   0.00000  -0.00033  -0.00014  -0.00047   1.39155
   A180       2.13761   0.00000  -0.00018   0.00002  -0.00016   2.13745
   A181       1.89429   0.00001   0.00005  -0.00012  -0.00008   1.89422
   A182       2.26834  -0.00001  -0.00007  -0.00024  -0.00031   2.26803
   A183       2.58798  -0.00001   0.00004   0.00001   0.00005   2.58803
   A184       2.25240   0.00000  -0.00022  -0.00040  -0.00062   2.25178
   A185       2.31382  -0.00001  -0.00058  -0.00036  -0.00095   2.31288
   A186       0.69122   0.00000   0.00006   0.00001   0.00007   0.69128
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   A189       2.11697  -0.00001   0.00009   0.00036   0.00045   2.11742
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   A191       1.40609   0.00001   0.00020   0.00037   0.00057   1.40666
   A192       1.10040   0.00002   0.00027   0.00041   0.00067   1.10107
   A193       1.62124   0.00000   0.00012   0.00036   0.00048   1.62172
   A194       1.40920   0.00000   0.00036   0.00026   0.00062   1.40982
   A195       0.66668   0.00000   0.00017   0.00004   0.00021   0.66689
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   A197       1.85780   0.00001   0.00001   0.00005   0.00006   1.85786
   A198       1.64065   0.00001   0.00007   0.00007   0.00014   1.64079
   A199       1.32073   0.00002   0.00005   0.00008   0.00014   1.32086
   A200       1.60842   0.00000   0.00002   0.00003   0.00005   1.60847
   A201       1.34146   0.00000   0.00020  -0.00001   0.00019   1.34165
   A202       0.71052   0.00000   0.00008   0.00001   0.00009   0.71061
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   A204       2.25277   0.00001   0.00005  -0.00005   0.00001   2.25278
   A205       2.05193   0.00001   0.00019   0.00015   0.00034   2.05227
   A206       1.73212   0.00002   0.00018   0.00017   0.00034   1.73246
   A207       1.94584   0.00000   0.00002  -0.00015  -0.00013   1.94571
   A208       1.66335   0.00000   0.00013  -0.00016  -0.00004   1.66331
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   A211       2.37583   0.00001   0.00001  -0.00039  -0.00038   2.37545
   A212       2.29215   0.00001   0.00020  -0.00005   0.00015   2.29229
   A213       1.97603   0.00001   0.00016   0.00000   0.00016   1.97618
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   A303       1.80563  -0.00002  -0.00012   0.00022   0.00010   1.80573
   A304       2.18966   0.00001  -0.00012  -0.00013  -0.00025   2.18941
   A305       2.12987   0.00000   0.00012   0.00010   0.00021   2.13008
   A306       1.96329  -0.00001   0.00001   0.00003   0.00004   1.96333
   A307       2.12592   0.00001   0.00004  -0.00003   0.00001   2.12593
   A308       2.12321   0.00001  -0.00007   0.00015   0.00008   2.12329
   A309       2.03078  -0.00002   0.00007  -0.00013  -0.00005   2.03072
   A310       1.30964  -0.00002  -0.00079  -0.00001  -0.00079   1.30884
   A311       3.04289  -0.00002   0.00111  -0.00048   0.00063   3.04352
   A312       1.91164  -0.00002   0.00021   0.00006   0.00028   1.91192
   A313       1.92750  -0.00001   0.00008   0.00015   0.00019   1.92770
   A314       1.90350   0.00002  -0.00023  -0.00005  -0.00029   1.90321
   A315       1.91192   0.00003  -0.00028   0.00018  -0.00009   1.91183
   A316       1.91190   0.00000   0.00016  -0.00010   0.00006   1.91195
   A317       1.89724  -0.00002   0.00007  -0.00024  -0.00016   1.89708
   A318       1.78355   0.00001   0.00059  -0.00013   0.00046   1.78401
   A319       1.91591   0.00000  -0.00014   0.00006  -0.00008   1.91583
   A320       1.91418   0.00002   0.00001  -0.00003  -0.00002   1.91416
   A321       1.92067  -0.00001   0.00000  -0.00013  -0.00013   1.92054
   A322       1.90677  -0.00001  -0.00011   0.00005  -0.00006   1.90671
   A323       1.91063   0.00000   0.00012   0.00005   0.00017   1.91080
   A324       1.89549   0.00000   0.00013   0.00000   0.00013   1.89561
   A325       2.94150   0.00000   0.00002  -0.00020  -0.00018   2.94132
   A326       3.35946   0.00001   0.00055   0.00058   0.00114   3.36060
   A327       3.07825   0.00000   0.00061   0.00057   0.00118   3.07943
   A328       3.20183  -0.00002   0.00045  -0.00016   0.00029   3.20212
   A329       3.27369   0.00000  -0.00002   0.00015   0.00013   3.27381
   A330       3.25952   0.00000   0.00029   0.00010   0.00040   3.25992
   A331       3.69418   0.00002   0.00071  -0.00008   0.00063   3.69481
   A332       3.21557   0.00000  -0.00034   0.00005  -0.00028   3.21529
   A333       2.97943  -0.00001  -0.00022  -0.00016  -0.00038   2.97905
   A334       2.91217  -0.00002  -0.00019  -0.00023  -0.00042   2.91175
   A335       3.23050   0.00001   0.00028   0.00009   0.00037   3.23087
   A336       3.07561   0.00000  -0.00003   0.00004   0.00002   3.07562
   A337       3.10304   0.00000   0.00028   0.00001   0.00028   3.10332
   A338       3.04457   0.00001  -0.00001   0.00036   0.00036   3.04493
    D1        2.75826   0.00000  -0.00015   0.00004  -0.00011   2.75815
    D2       -1.36041   0.00000  -0.00020  -0.00022  -0.00043  -1.36084
    D3        2.78021   0.00000  -0.00039   0.00034  -0.00005   2.78016
    D4       -1.33846   0.00000  -0.00044   0.00008  -0.00036  -1.33883
    D5        1.66235   0.00000   0.00002   0.00013   0.00015   1.66250
    D6       -2.45632   0.00000  -0.00004  -0.00013  -0.00016  -2.45648
    D7        1.84253   0.00000   0.00007   0.00012   0.00019   1.84272
    D8       -2.27614   0.00000   0.00002  -0.00014  -0.00012  -2.27626
    D9        0.32283   0.00000  -0.00017   0.00011  -0.00006   0.32277
   D10        2.48734   0.00000  -0.00022  -0.00015  -0.00037   2.48698
   D11        0.03455   0.00000  -0.00011   0.00024   0.00013   0.03467
   D12        2.19906   0.00000  -0.00017  -0.00002  -0.00018   2.19888
   D13       -0.43536   0.00000  -0.00006   0.00029   0.00023  -0.43513
   D14        1.72915   0.00000  -0.00011   0.00003  -0.00008   1.72907
   D15       -0.55855   0.00000  -0.00003   0.00034   0.00031  -0.55824
   D16        1.60596   0.00000  -0.00008   0.00008   0.00000   1.60596
   D17        0.21309   0.00000  -0.00012   0.00032   0.00020   0.21329
   D18        2.37761   0.00000  -0.00018   0.00006  -0.00011   2.37750
   D19        0.14584   0.00000  -0.00010   0.00025   0.00016   0.14599
   D20        2.31035  -0.00001  -0.00015  -0.00001  -0.00016   2.31020
   D21        2.40368   0.00000  -0.00024   0.00001  -0.00023   2.40345
   D22       -1.71499  -0.00001  -0.00029  -0.00025  -0.00054  -1.71553
   D23        2.16070   0.00000  -0.00021   0.00014  -0.00007   2.16063
   D24       -1.95797  -0.00001  -0.00026  -0.00012  -0.00038  -1.95835
   D25        1.71910   0.00000  -0.00032   0.00002  -0.00030   1.71880
   D26       -2.39957  -0.00001  -0.00037  -0.00024  -0.00061  -2.40018
   D27        1.41290   0.00000  -0.00041   0.00000  -0.00040   1.41249
   D28       -2.70577   0.00000  -0.00046  -0.00026  -0.00071  -2.70649
   D29        2.37121  -0.00001  -0.00019   0.00038   0.00018   2.37139
   D30       -1.74746  -0.00001  -0.00025   0.00012  -0.00013  -1.74759
   D31       -1.75133  -0.00001  -0.00010   0.00044   0.00034  -1.75098
   D32        0.41319  -0.00002  -0.00015   0.00018   0.00003   0.41322
   D33       -2.10263   0.00001  -0.00003   0.00053   0.00050  -2.10213
   D34        0.06189   0.00000  -0.00008   0.00027   0.00019   0.06208
   D35       -2.47651   0.00001   0.00000   0.00046   0.00046  -2.47605
   D36       -0.31199   0.00000  -0.00005   0.00020   0.00015  -0.31184
   D37       -2.76633   0.00001   0.00009   0.00048   0.00058  -2.76576
   D38       -0.60182   0.00001   0.00004   0.00022   0.00026  -0.60155
   D39       -2.13031   0.00000   0.00003   0.00061   0.00064  -2.12967
   D40        0.03421   0.00000  -0.00002   0.00035   0.00032   0.03453
   D41       -2.37380   0.00000   0.00042   0.00050   0.00092  -2.37288
   D42       -0.20929   0.00000   0.00037   0.00024   0.00061  -0.20868
   D43        1.26414   0.00000   0.00033  -0.00051  -0.00017   1.26396
   D44       -1.92100  -0.00001  -0.00010  -0.00102  -0.00112  -1.92212
   D45        2.45882   0.00000   0.00045  -0.00038   0.00007   2.45889
   D46       -0.72632  -0.00001   0.00002  -0.00089  -0.00088  -0.72720
   D47        2.94407   0.00000   0.00045  -0.00036   0.00009   2.94415
   D48       -0.24107  -0.00001   0.00002  -0.00088  -0.00086  -0.24194
   D49        2.87377  -0.00001   0.00031  -0.00044  -0.00012   2.87365
   D50       -0.31137  -0.00002  -0.00012  -0.00095  -0.00107  -0.31244
   D51        2.05551   0.00000   0.00042  -0.00024   0.00018   2.05569
   D52       -1.12963  -0.00001  -0.00002  -0.00075  -0.00077  -1.13040
   D53        1.16058   0.00001   0.00052   0.00002   0.00053   1.16112
   D54       -2.02456   0.00000   0.00008  -0.00050  -0.00042  -2.02497
   D55        1.01622   0.00001   0.00048  -0.00005   0.00043   1.01666
   D56       -2.16892   0.00000   0.00004  -0.00056  -0.00052  -2.16943
   D57        2.02616   0.00000   0.00040  -0.00019   0.00021   2.02638
   D58       -1.15898  -0.00001  -0.00003  -0.00070  -0.00073  -1.15971
   D59        1.82984   0.00000   0.00043  -0.00029   0.00015   1.82999
   D60       -1.35530  -0.00001   0.00000  -0.00080  -0.00080  -1.35610
   D61       -2.27366   0.00000   0.00026  -0.00051  -0.00025  -2.27390
   D62        0.82439  -0.00001  -0.00017  -0.00102  -0.00120   0.82319
   D63       -2.40879   0.00000   0.00030  -0.00037  -0.00007  -2.40886
   D64        0.68925  -0.00001  -0.00013  -0.00089  -0.00102   0.68824
   D65       -2.81110   0.00000   0.00022  -0.00038  -0.00016  -2.81126
   D66        0.28694  -0.00001  -0.00021  -0.00089  -0.00111   0.28583
   D67       -2.98787   0.00000   0.00014  -0.00034  -0.00020  -2.98806
   D68        0.11018  -0.00001  -0.00030  -0.00085  -0.00115   0.10903
   D69       -2.13247  -0.00001   0.00032  -0.00028   0.00004  -2.13243
   D70        0.96558  -0.00001  -0.00011  -0.00080  -0.00091   0.96467
   D71       -0.15915  -0.00001   0.00024  -0.00036  -0.00012  -0.15927
   D72        2.93890  -0.00002  -0.00019  -0.00088  -0.00107   2.93783
   D73       -0.55747   0.00001   0.00030  -0.00038  -0.00008  -0.55755
   D74        2.54058   0.00000  -0.00014  -0.00089  -0.00103   2.53954
   D75       -0.72390   0.00000   0.00032  -0.00046  -0.00014  -0.72404
   D76        2.37415  -0.00001  -0.00011  -0.00098  -0.00109   2.37306
   D77       -1.06168   0.00001   0.00032  -0.00036  -0.00004  -1.06172
   D78        2.03637   0.00000  -0.00011  -0.00088  -0.00099   2.03538
   D79       -0.84328   0.00001   0.00032  -0.00035  -0.00003  -0.84331
   D80        2.25476   0.00000  -0.00011  -0.00087  -0.00098   2.25378
   D81       -1.14625   0.00001   0.00042  -0.00043  -0.00001  -1.14626
   D82        1.95179   0.00000  -0.00001  -0.00095  -0.00096   1.95083
   D83       -1.53102   0.00000   0.00006   0.00004   0.00010  -1.53092
   D84       -2.60681   0.00000   0.00001   0.00011   0.00012  -2.60669
   D85       -2.94607  -0.00001  -0.00017   0.00031   0.00014  -2.94593
   D86        0.74165   0.00000  -0.00005   0.00009   0.00004   0.74169
   D87        0.31738   0.00000  -0.00001   0.00014   0.00014   0.31752
   D88       -0.05713  -0.00001   0.00006   0.00009   0.00015  -0.05698
   D89       -0.39634   0.00000   0.00009   0.00017   0.00026  -0.39608
   D90        0.18798   0.00000  -0.00001   0.00023   0.00022   0.18819
   D91       -0.05074   0.00000   0.00005   0.00016   0.00021  -0.05053
   D92        2.40919  -0.00001  -0.00021  -0.00011  -0.00032   2.40887
   D93        2.06090  -0.00001  -0.00015   0.00000  -0.00015   2.06075
   D94        1.66703  -0.00001  -0.00028  -0.00008  -0.00036   1.66667
   D95        1.37987   0.00000  -0.00034  -0.00002  -0.00036   1.37951
   D96        2.06381   0.00000  -0.00010   0.00017   0.00007   2.06388
   D97       -1.89390  -0.00002  -0.00016   0.00034   0.00018  -1.89372
   D98       -2.43431   0.00002  -0.00017   0.00019   0.00001  -2.43430
   D99       -2.64854   0.00001  -0.00012   0.00000  -0.00012  -2.64866
   D100      -2.97625   0.00001  -0.00024  -0.00005  -0.00029  -2.97654
   D101      -2.90776   0.00002  -0.00027  -0.00005  -0.00032  -2.90808
   D102       2.84380   0.00002  -0.00040  -0.00033  -0.00073   2.84307
   D103      -2.90652   0.00000  -0.00002   0.00031   0.00029  -2.90622
   D104       1.19157   0.00000   0.00001   0.00022   0.00023   1.19180
   D105       2.80321   0.00000   0.00000   0.00022   0.00022   2.80342
   D106       0.61810   0.00000   0.00003   0.00013   0.00016   0.61826
   D107       2.30026   0.00001  -0.00002   0.00033   0.00032   2.30057
   D108       0.11516   0.00001   0.00001   0.00024   0.00025   0.11541
   D109       1.74302   0.00000   0.00021   0.00021   0.00041   1.74343
   D110      -0.44208   0.00000   0.00024   0.00011   0.00035  -0.44173
   D111       2.58571   0.00001  -0.00013   0.00027   0.00015   2.58585
   D112       0.40060   0.00001  -0.00010   0.00018   0.00008   0.40069
   D113       2.24957   0.00001  -0.00011   0.00028   0.00017   2.24974
   D114       0.06446   0.00001  -0.00008   0.00019   0.00011   0.06457
   D115      -1.61222   0.00000  -0.00007  -0.00002  -0.00009  -1.61232
   D116       2.48586   0.00000  -0.00003  -0.00012  -0.00015   2.48571
   D117      -1.77030  -0.00001  -0.00007   0.00000  -0.00007  -1.77037
   D118       2.32778  -0.00001  -0.00004  -0.00010  -0.00013   2.32765
   D119      -2.73544   0.00000  -0.00007  -0.00002  -0.00009  -2.73553
   D120       1.36265   0.00000  -0.00004  -0.00011  -0.00015   1.36250
   D121      -2.69747   0.00000  -0.00008   0.00015   0.00007  -2.69740
   D122       1.40062   0.00000  -0.00005   0.00005   0.00001   1.40063
   D123       1.32400   0.00000  -0.00001   0.00033   0.00032   1.32432
   D124      -0.86110   0.00000   0.00002   0.00024   0.00026  -0.86084
   D125       1.29394   0.00000  -0.00003   0.00021   0.00018   1.29412
   D126      -0.89116   0.00000   0.00000   0.00012   0.00012  -0.89104
   D127       1.64943   0.00000   0.00005   0.00019   0.00024   1.64967
   D128      -0.53567   0.00000   0.00008   0.00010   0.00018  -0.53549
   D129       1.77455   0.00001   0.00015   0.00012   0.00028   1.77482
   D130      -0.41056   0.00001   0.00019   0.00003   0.00021  -0.41034
   D131       0.89340   0.00001  -0.00005   0.00017   0.00012   0.89352
   D132      -1.29170   0.00000  -0.00002   0.00008   0.00005  -1.29165
   D133      -0.95543   0.00001   0.00007   0.00028   0.00035  -0.95508
   D134      -3.14053   0.00001   0.00010   0.00019   0.00029  -3.14025
   D135      -0.52897  -0.00001  -0.00004   0.00018   0.00014  -0.52883
   D136      -2.71407  -0.00001   0.00000   0.00008   0.00008  -2.71399
   D137      -0.23830  -0.00001  -0.00014   0.00012  -0.00002  -0.23832
   D138      -2.42340  -0.00001  -0.00011   0.00002  -0.00008  -2.42349
   D139       0.16912  -0.00002  -0.00032  -0.00012  -0.00044   0.16868
   D140      -2.01598  -0.00002  -0.00029  -0.00021  -0.00050  -2.01648
   D141      -0.30878   0.00000  -0.00008   0.00011   0.00003  -0.30876
   D142      -2.49388   0.00000  -0.00005   0.00001  -0.00004  -2.49392
   D143      -0.05770  -0.00001  -0.00029   0.00016  -0.00013  -0.05783
   D144      -2.24280  -0.00001  -0.00026   0.00006  -0.00020  -2.24300
   D145      -2.47865   0.00000   0.00001   0.00021   0.00022  -2.47842
   D146      -2.72924   0.00000  -0.00007   0.00011   0.00004  -2.72920
   D147      -2.40758  -0.00001  -0.00011  -0.00016  -0.00026  -2.40785
   D148       2.99690   0.00001  -0.00004   0.00024   0.00020   2.99710
   D149       2.61189   0.00001   0.00006   0.00029   0.00035   2.61224
   D150       1.51125   0.00000   0.00003  -0.00002   0.00001   1.51126
   D151       2.61294   0.00000   0.00003   0.00001   0.00003   2.61297
   D152       2.98840   0.00001  -0.00003   0.00014   0.00011   2.98851
   D153       1.17479   0.00000   0.00020   0.00062   0.00082   1.17561
   D154       1.23753   0.00000   0.00010   0.00028   0.00038   1.23791
   D155       1.62927   0.00000   0.00013   0.00017   0.00030   1.62957
   D156       1.70589   0.00000   0.00018   0.00005   0.00023   1.70612
   D157       0.88754   0.00001   0.00008   0.00015   0.00023   0.88777
   D158      -0.99565   0.00001   0.00022   0.00044   0.00066  -0.99499
   D159      -0.67113  -0.00001   0.00020   0.00048   0.00068  -0.67045
   D160      -0.71225   0.00000   0.00024   0.00058   0.00082  -0.71143
   D161      -0.40592  -0.00001   0.00042   0.00053   0.00095  -0.40497
   D162      -0.29084   0.00000   0.00015   0.00043   0.00057  -0.29027
   D163      -0.01233   0.00000   0.00014   0.00040   0.00054  -0.01179
   D164      -1.28685   0.00000   0.00031   0.00027   0.00059  -1.28626
   D165       1.66162   0.00000   0.00005  -0.00001   0.00004   1.66166
   D166      -1.65831   0.00000   0.00029   0.00020   0.00049  -1.65782
   D167       1.29016   0.00000   0.00003  -0.00009  -0.00005   1.29011
   D168      -1.73795   0.00001   0.00027   0.00015   0.00042  -1.73753
   D169       1.21052   0.00000   0.00001  -0.00014  -0.00013   1.21039
   D170      -1.99957   0.00000   0.00009   0.00037   0.00047  -1.99910
   D171       0.94890   0.00000  -0.00017   0.00009  -0.00008   0.94882
   D172      -2.00784   0.00001   0.00027   0.00029   0.00056  -2.00728
   D173       0.94063   0.00001   0.00001   0.00000   0.00001   0.94064
   D174      -2.31114   0.00001   0.00036   0.00027   0.00063  -2.31051
   D175       0.63733   0.00001   0.00010  -0.00001   0.00009   0.63742
   D176       1.97709   0.00000   0.00028   0.00003   0.00031   1.97739
   D177      -1.35763   0.00000   0.00002  -0.00025  -0.00024  -1.35787
   D178       0.83119   0.00000   0.00034   0.00007   0.00041   0.83160
   D179      -2.50353   0.00000   0.00008  -0.00021  -0.00013  -2.50366
   D180       0.36921   0.00000   0.00037   0.00008   0.00045   0.36965
   D181      -2.96551  -0.00001   0.00011  -0.00020  -0.00010  -2.96561
   D182      -3.11027  -0.00001   0.00021   0.00023   0.00044  -3.10983
   D183      -0.16180  -0.00001  -0.00005  -0.00005  -0.00010  -0.16190
   D184       2.90737   0.00000   0.00027   0.00016   0.00043   2.90780
   D185      -0.42734  -0.00001   0.00001  -0.00012  -0.00011  -0.42746
   D186       3.06111   0.00000   0.00029   0.00004   0.00033   3.06144
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   D188       2.96789   0.00000   0.00034  -0.00008   0.00026   2.96815
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   D405       1.12901   0.00000   0.00203   0.00377   0.00581   1.13481
   D406      -2.97965   0.00000  -0.00031  -0.00007  -0.00039  -2.98004
   D407       0.77975   0.00001   0.00235   0.00366   0.00601   0.78577
   D408       1.92070   0.00001  -0.00059  -0.00008  -0.00067   1.92002
   D409       2.41841   0.00000  -0.00053   0.00009  -0.00045   2.41797
   D410       2.64747  -0.00001  -0.00048   0.00014  -0.00033   2.64714
   D411       2.88019   0.00000  -0.00037   0.00001  -0.00036   2.87983
   D412       2.85107  -0.00002  -0.00029   0.00027  -0.00002   2.85106
   D413      -2.93735  -0.00002  -0.00048   0.00054   0.00006  -2.93729
   D414      -0.74950   0.00000  -0.00047   0.00018  -0.00029  -0.74979
   D415      -0.36926   0.00000  -0.00053   0.00010  -0.00043  -0.36969
   D416      -0.05796   0.00000  -0.00055   0.00020  -0.00035  -0.05831
   D417       0.25044   0.00000  -0.00061   0.00016  -0.00045   0.24999
   D418      -0.23700   0.00000  -0.00060  -0.00006  -0.00066  -0.23766
   D419       0.07306   0.00000  -0.00076  -0.00013  -0.00089   0.07218
   D420      -2.55844   0.00001  -0.00037   0.00035  -0.00002  -2.55846
   D421      -2.17655   0.00001  -0.00041   0.00031  -0.00010  -2.17665
   D422      -1.93044   0.00001  -0.00024   0.00064   0.00040  -1.93004
   D423      -1.61670   0.00001  -0.00017   0.00066   0.00049  -1.61621
   D424      -1.96439   0.00000  -0.00050  -0.00005  -0.00054  -1.96493
   D425       1.30751   0.00002  -0.00045   0.00016  -0.00029   1.30722
   D426       2.47223   0.00000  -0.00050   0.00024  -0.00026   2.47197
   D427       2.94655  -0.00001  -0.00032   0.00027  -0.00004   2.94650
   D428      -3.07383  -0.00001  -0.00003   0.00042   0.00039  -3.07344
   D429       0.03124  -0.00001  -0.00113  -0.00023  -0.00135   0.02988
   D430       0.03922  -0.00002  -0.00005   0.00031   0.00025   0.03948
   D431      -3.13889  -0.00002  -0.00115  -0.00035  -0.00149  -3.14039
   D432      -0.07694  -0.00002  -0.00025  -0.00140  -0.00165  -0.07860
   D433       2.02198   0.00000  -0.00019  -0.00127  -0.00146   2.02053
   D434      -2.17374   0.00000  -0.00030  -0.00143  -0.00173  -2.17547
   D435       3.09929  -0.00002   0.00078  -0.00078  -0.00001   3.09928
   D436      -1.08497   0.00001   0.00084  -0.00064   0.00019  -1.08478
   D437       1.00249   0.00000   0.00073  -0.00081  -0.00008   1.00241
   D438      -2.36642   0.00000   0.00099   0.00068   0.00167  -2.36475
   D439      -0.27555  -0.00002   0.00110   0.00067   0.00178  -0.27378
   D440       1.83158   0.00000   0.00117   0.00064   0.00182   1.83339
   D441       0.74048   0.00000  -0.00005   0.00006   0.00001   0.74049
   D442       2.83134  -0.00002   0.00007   0.00005   0.00012   2.83146
   D443      -1.34471   0.00000   0.00014   0.00002   0.00016  -1.34455
   D444       0.00020   0.00000  -0.00021  -0.00038  -0.00059  -0.00039
   D445       3.11378   0.00001  -0.00024  -0.00012  -0.00036   3.11341
   D446      -3.11950  -0.00001  -0.00018  -0.00047  -0.00065  -3.12015
   D447      -0.00592  -0.00001  -0.00022  -0.00021  -0.00043  -0.00635
   D448       2.41266   0.00001   0.00006   0.00017   0.00023   2.41289
   D449      -1.78670   0.00001   0.00001   0.00017   0.00018  -1.78652
   D450       0.32055   0.00001   0.00003   0.00012   0.00016   0.32070
   D451      -0.70226   0.00000   0.00010  -0.00008   0.00002  -0.70224
   D452       1.38157   0.00001   0.00005  -0.00008  -0.00004   1.38153
   D453      -2.79437   0.00001   0.00007  -0.00013  -0.00006  -2.79442
   D454       2.05902   0.00000   0.00021  -0.00046  -0.00025   2.05877
   D455      -2.13944   0.00000   0.00015  -0.00054  -0.00039  -2.13983
   D456      -0.04610   0.00000   0.00017  -0.00057  -0.00040  -0.04650
   D457      -1.10920   0.00000   0.00017  -0.00021  -0.00004  -1.10924
   D458       0.97553   0.00000   0.00011  -0.00029  -0.00018   0.97535
   D459       3.06886   0.00000   0.00013  -0.00032  -0.00019   3.06867
   D460      -3.08815   0.00005   0.00048   0.00057   0.00106  -3.08709
   D461      -0.03057   0.00005  -0.00023   0.00048   0.00025  -0.03032
   D462       0.06630   0.00004   0.00035   0.00053   0.00088   0.06718
   D463       3.12389   0.00004  -0.00036   0.00043   0.00007   3.12396
   D464       1.93649   0.00001  -0.00010   0.00014   0.00004   1.93653
   D465      -2.26351  -0.00001  -0.00026   0.00001  -0.00025  -2.26376
   D466      -0.17079   0.00001  -0.00006   0.00007   0.00001  -0.17078
   D467      -1.12444   0.00001   0.00058   0.00024   0.00081  -1.12363
   D468       0.95874   0.00000   0.00042   0.00010   0.00053   0.95926
   D469       3.05146   0.00001   0.00061   0.00017   0.00078   3.05224
   D470      -1.63856   0.00001   0.00063   0.00019   0.00082  -1.63774
   D471       0.46562   0.00000   0.00057   0.00016   0.00073   0.46635
   D472       2.55734   0.00001   0.00064   0.00016   0.00080   2.55814
   D473       1.42276   0.00000  -0.00005   0.00010   0.00005   1.42281
   D474      -2.75625   0.00000  -0.00011   0.00007  -0.00004  -2.75629
   D475      -0.66453   0.00000  -0.00004   0.00007   0.00003  -0.66450
   D476       0.00743  -0.00002  -0.00026  -0.00001  -0.00028   0.00715
   D477      -3.04403  -0.00002  -0.00090   0.00012  -0.00078  -3.04481
   D478       3.12037  -0.00001  -0.00002  -0.00009  -0.00011   3.12026
   D479       0.06891  -0.00001  -0.00066   0.00005  -0.00061   0.06830
   D480      -0.30118  -0.00001  -0.00145   0.00043  -0.00102  -0.30220
   D481       1.80595   0.00001  -0.00161   0.00078  -0.00083   1.80512
   D482      -2.39338  -0.00001  -0.00163   0.00054  -0.00109  -2.39447
   D483       2.75480  -0.00001  -0.00085   0.00031  -0.00054   2.75426
   D484      -1.42126   0.00001  -0.00101   0.00066  -0.00034  -1.42160
   D485       0.66260  -0.00001  -0.00103   0.00042  -0.00060   0.66199
   D486      -0.09165  -0.00001  -0.00022   0.00029   0.00007  -0.09158
   D487       2.00345   0.00000  -0.00043   0.00036  -0.00007   2.00338
   D488      -2.19558   0.00000  -0.00027   0.00027  -0.00001  -2.19558
   D489       3.13542  -0.00001  -0.00082   0.00041  -0.00041   3.13501
   D490      -1.05267  -0.00001  -0.00104   0.00049  -0.00055  -1.05322
   D491       1.03149   0.00000  -0.00088   0.00039  -0.00049   1.03100
         Item               Value     Threshold  Converged?
 Maximum Force            0.000140     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.005633     0.001800     NO 
 RMS     Displacement     0.000586     0.001200     YES
 Predicted change in Energy=-7.509410D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:55:23 2016, MaxMem=  2952790016 cpu:        10.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.828353   -0.589518    1.667888
      2          6           0       -2.069313    1.118084   -1.365577
      3          8           0       -2.622078    0.139792   -1.897909
      4          7           0       -0.777226    1.161003   -0.940766
      5          1           0       -2.614436    2.061353   -1.161064
      6          6           0       -0.234145    2.330004   -0.247660
      7          1           0       -0.989593    3.127521   -0.220865
      8          1           0        0.046941    2.056664    0.782114
      9          1           0        0.662223    2.693496   -0.776219
     10          6           0        0.130740    0.023785   -1.109895
     11          1           0        0.692750   -0.130553   -0.175556
     12          1           0       -0.452604   -0.877175   -1.340564
     13          1           0        0.846296    0.220283   -1.925327
     14          6           0       -2.003869   -3.999963    2.615921
     15          8           0       -2.122753   -3.847523    3.843699
     16          7           0       -2.947366   -3.691274    1.684983
     17          1           0       -1.074460   -4.395667    2.160220
     18          6           0       -4.246095   -3.127026    2.060441
     19          1           0       -4.507778   -2.327297    1.349375
     20          1           0       -5.030760   -3.901180    2.025340
     21          1           0       -4.184479   -2.713208    3.075121
     22          6           0       -2.702001   -3.874696    0.254235
     23          1           0       -3.412544   -4.606184   -0.164468
     24          1           0       -2.837305   -2.914561   -0.270435
     25          1           0       -1.674298   -4.231359    0.098593
     26          6           0        1.554681    0.380685    2.610342
     27          8           0        1.381449    1.399536    3.300479
     28          7           0        1.173954   -0.879808    2.954087
     29          1           0        2.040811    0.419821    1.615602
     30          6           0        1.480066   -2.032233    2.105939
     31          1           0        2.225765   -2.681461    2.594895
     32          1           0        0.565111   -2.622177    1.935323
     33          1           0        1.871673   -1.684722    1.140174
     34          6           0        0.531285   -1.153593    4.242059
     35          1           0        1.279024   -1.456150    4.995005
     36          1           0        0.011843   -0.250492    4.586669
     37          1           0       -0.192576   -1.971314    4.114002
     38          6           0       -4.606716    1.097962    2.910627
     39          8           0       -4.855951    1.673155    1.837437
     40          7           0       -3.533601    1.348427    3.709875
     41          1           0       -5.248126    0.284024    3.304567
     42          6           0       -2.536960    2.367454    3.368194
     43          1           0       -2.623473    2.623583    2.304211
     44          1           0       -2.687047    3.273099    3.978901
     45          1           0       -1.531192    1.968260    3.570329
     46          6           0       -3.255112    0.539931    4.897275
     47          1           0       -4.069648   -0.179992    5.056034
     48          1           0       -2.307176   -0.007856    4.759742
     49          1           0       -3.160808    1.189190    5.782505
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489394   0.000000
     3  O    3.725158   1.243375   0.000000
     4  N    3.312743   1.360807   2.315702   0.000000
     5  H    3.955757   1.108486   2.058008   2.057791   0.000000
     6  C    3.838546   2.467049   3.636286   1.463521   2.563642
     7  H    4.252915   2.552254   3.795262   2.104887   2.158889
     8  H    3.362083   3.157854   4.240352   2.109449   3.295283
     9  H    4.791118   3.207890   4.308855   2.108939   3.359197
    10  C    3.454022   2.470445   2.865734   1.465016   3.419107
    11  H    3.156722   3.256414   3.745353   2.101069   4.088172
    12  H    3.320574   2.568157   2.459974   2.102234   3.652490
    13  H    4.552002   3.101635   3.469416   2.118994   3.993783
    14  C    3.544109   6.484675   6.155844   6.386724   7.167842
    15  O    3.928794   7.196990   7.008143   7.055982   7.759138
    16  N    3.297480   5.762536   5.255473   5.928631   6.426783
    17  H    3.911204   6.619850   6.279643   6.370325   7.422638
    18  C    3.526829   5.873409   5.383128   6.279132   6.321367
    19  H    3.209461   5.018737   4.493022   5.597321   5.398823
    20  H    4.620637   6.742514   6.125609   7.246795   7.179386
    21  H    3.470114   6.234783   5.942368   6.538061   6.573183
    22  C    3.681585   5.286959   4.555680   5.521870   6.103066
    23  H    4.690501   6.001181   5.114092   6.388113   6.788684
    24  H    3.190753   4.248691   3.467574   4.615571   5.059902
    25  H    3.968554   5.560249   4.898088   5.564403   6.486048
    26  C    3.643410   5.430011   6.150421   4.319381   5.867681
    27  O    4.113942   5.810254   6.681199   4.764969   6.025816
    28  N    3.279088   5.759326   6.244302   4.810602   6.319556
    29  H    3.998991   5.125243   5.845144   3.876300   5.663552
    30  C    3.635788   5.879967   6.129933   4.957271   6.647985
    31  H    4.655259   6.969187   7.186539   6.023569   7.747842
    32  H    3.151491   5.641425   5.699150   4.938239   6.452332
    33  H    3.894631   5.446639   5.722989   4.409663   6.281237
    34  C    3.537291   6.585530   7.022518   5.825052   7.030304
    35  H    4.634279   7.635118   8.079473   6.805220   8.088821
    36  H    3.467065   6.452398   7.009965   5.759122   6.728922
    37  H    3.250938   6.564472   6.819261   5.975274   7.067823
    38  C    3.480128   4.972397   5.289508   5.431592   4.634217
    39  O    3.783489   4.281677   4.614564   4.961523   3.763787
    40  N    3.291385   5.287477   5.808521   5.409362   5.007911
    41  H    3.890584   5.710582   5.829467   6.227431   5.480609
    42  C    3.483798   4.918151   5.718528   4.808256   4.540251
    43  H    3.370630   4.005118   4.881295   4.009694   3.510600
    44  H    4.582352   5.795613   6.660235   5.684320   5.281367
    45  H    3.201534   5.037414   5.868131   4.644363   4.854705
    46  C    3.706783   6.400288   6.836327   6.372470   6.279224
    47  H    4.082971   6.850068   7.110207   6.971364   6.767095
    48  H    3.182321   6.232483   6.666729   6.016874   6.279488
    49  H    4.676463   7.231285   7.770471   7.133346   7.019425
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098841   0.000000
     8  H    1.101889   1.796414   0.000000
     9  H    1.102260   1.795910   1.792353   0.000000
    10  C    2.489023   3.417411   2.778367   2.742476   0.000000
    11  H    2.630337   3.667066   2.473483   2.887383   1.101211
    12  H    3.395315   4.192812   3.655505   3.782991   1.097828
    13  H    2.903935   3.837670   3.367715   2.733334   1.102525
    14  C    7.169414   7.738032   6.652173   7.963483   5.884625
    15  O    7.646431   8.152054   6.995735   8.478484   6.678575
    16  N    6.881313   7.345822   6.543688   7.736404   5.575639
    17  H    7.192960   7.891459   6.692481   7.867336   5.628296
    18  C    7.155575   7.411378   6.850907   8.125067   6.255824
    19  H    6.519579   6.678197   6.347154   7.513683   5.752517
    20  H    8.185457   8.413032   7.926195   9.151423   7.202509
    21  H    7.216648   7.428657   6.776023   8.219234   6.605044
    22  C    6.696306   7.224203   6.558687   7.451241   5.008336
    23  H    7.630193   8.104571   7.566876   8.382321   5.906379
    24  H    5.855120   6.318486   5.842929   6.629693   4.260031
    25  H    6.726472   7.397567   6.555082   7.360588   4.777537
    26  C    3.894602   4.694058   2.902517   4.196949   3.999394
    27  O    4.008143   4.583409   2.924874   4.337175   4.786268
    28  N    4.747296   5.551571   3.822368   5.190911   4.291937
    29  H    3.506562   4.459552   2.710992   3.576439   3.351649
    30  C    5.244718   6.175460   4.530501   5.595375   4.048392
    31  H    6.264668   7.211887   5.521167   6.534466   5.043110
    32  H    5.470679   6.334452   4.846643   5.968105   4.057480
    33  H    4.741158   5.761680   4.178017   4.929922   3.318532
    34  C    5.734014   6.368571   4.744635   6.324584   5.494549
    35  H    6.641549   7.304927   5.621951   7.134916   6.385810
    36  H    5.485455   5.960389   4.449589   6.152287   5.704403
    37  H    6.125942   6.739765   5.232920   6.812151   5.601255
    38  C    5.532818   5.197012   5.206361   6.625729   6.305707
    39  O    5.112746   4.615248   5.029824   6.190520   6.022813
    40  N    5.245187   5.008779   4.679067   6.288020   6.197762
    41  H    6.476446   6.216852   6.127215   7.575659   6.963290
    42  C    4.287046   3.981632   3.668916   5.245688   5.715128
    43  H    3.508151   3.049513   3.125586   4.504413   5.099094
    44  H    4.976944   4.532172   4.378795   5.845059   6.662868
    45  H    4.048485   4.001296   3.205068   4.922349   5.333620
    46  C    6.229042   6.166324   5.489861   7.223011   6.914947
    47  H    7.010017   6.947809   6.341556   8.041313   7.463476
    48  H    5.902298   6.031009   5.062177   6.838239   6.355870
    49  H    6.799243   6.671713   6.003838   7.739209   7.726424
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796252   0.000000
    13  H    1.791190   1.798195   0.000000
    14  C    5.480550   5.273708   6.823258   0.000000
    15  O    6.156082   6.203946   7.657935   1.242904   0.000000
    16  N    5.421327   4.826689   6.536551   1.360926   2.316129
    17  H    5.173981   5.002197   6.456624   1.108172   2.057543
    18  C    6.194411   5.569492   7.281708   2.469445   2.864910
    19  H    5.847785   5.077702   6.773474   3.266728   3.771085
    20  H    7.198620   6.436880   8.193535   3.085549   3.430132
    21  H    6.405027   6.065985   7.675842   2.573259   2.475499
    22  C    5.072244   4.072874   5.840356   2.465895   3.636003
    23  H    6.073289   4.904075   6.673315   3.175285   4.278380
    24  H    4.496776   3.314048   5.112224   3.194333   4.278680
    25  H    4.742857   3.848930   5.501524   2.549333   3.791340
    26  C    2.960662   4.606632   4.593455   5.643880   5.737808
    27  O    3.859831   5.485110   5.383871   6.409648   6.332942
    28  N    3.253860   4.592354   5.012608   4.466349   4.524049
    29  H    2.308339   4.078999   3.742307   6.074089   6.364739
    30  C    3.072698   4.116765   4.661180   4.033590   4.392653
    31  H    4.066038   5.090868   5.545760   4.430428   4.672133
    32  H    3.268072   3.848663   4.802423   2.993520   3.516815
    33  H    2.352966   3.494060   3.752031   4.749526   5.286039
    34  C    4.537401   5.675396   6.326407   4.144051   3.802614
    35  H    5.369881   6.593419   7.133630   4.786273   4.314656
    36  H    4.812152   5.978338   6.582100   4.691000   4.248193
    37  H    4.751054   5.569294   6.508137   3.104906   2.705330
    38  C    6.254447   6.263420   7.341124   5.731536   5.612355
    39  O    6.172000   5.999445   6.984615   6.397240   6.478684
    40  N    5.928406   6.320821   7.225767   5.669400   5.385750
    41  H    6.897618   6.776625   8.031054   5.417747   5.208484
    42  C    5.406406   6.086424   6.639136   6.433825   6.246889
    43  H    4.973112   5.500215   5.975294   6.659762   6.670530
    44  H    6.345659   7.107335   7.527556   7.431142   7.144226
    45  H    4.835555   5.777259   6.237797   6.062508   5.852180
    46  C    6.462877   6.983758   7.966908   5.232669   4.652098
    47  H    7.074773   7.381432   8.547873   4.981343   4.325615
    48  H    5.776831   6.434973   7.395038   4.541463   3.951733
    49  H    7.217348   7.895716   8.741071   6.188139   5.495908
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056647   0.000000
    18  C    1.464937   3.417408   0.000000
    19  H    2.099512   4.089412   1.101662   0.000000
    20  H    2.121422   3.989362   1.102835   1.790963   0.000000
    21  H    2.102271   3.652386   1.097550   1.797679   1.797083
    22  C    1.463178   2.559898   2.491108   2.618130   2.925856
    23  H    2.115165   3.303805   2.798739   2.946962   2.812635
    24  H    2.106907   3.348041   2.731816   2.399822   3.324943
    25  H    2.104526   2.153394   3.417973   3.635728   3.884225
    26  C    6.140486   5.470698   6.801135   6.758448   7.876841
    27  O    6.874941   6.396566   7.327804   7.237339   8.416649
    28  N    5.147839   4.248159   5.935109   6.078848   6.963456
    29  H    6.464350   5.761115   7.232094   7.106444   8.297351
    30  C    4.746765   3.480571   5.830057   6.042659   6.774239
    31  H    5.348734   3.744187   6.509159   6.856920   7.380329
    32  H    3.680100   2.425704   4.839239   5.115124   5.740881
    33  H    5.248449   4.131516   6.352498   6.415144   7.303409
    34  C    5.007942   4.174149   5.610460   5.927677   6.587824
    35  H    5.815015   4.713349   6.475371   6.894678   7.389888
    36  H    5.386621   4.924448   5.725933   5.934658   6.731699
    37  H    4.055522   3.236119   4.688688   5.137202   5.612032
    38  C    5.214636   6.574185   4.324741   3.765594   5.094602
    39  O    5.695879   7.157825   4.843903   4.045126   5.580240
    40  N    5.462824   6.437657   4.822651   4.475704   5.712926
    41  H    4.870271   6.374051   3.766586   3.345129   4.381735
    42  C    6.301573   7.024095   5.900904   5.477265   6.878813
    43  H    6.353406   7.189579   5.980120   5.382707   6.960268
    44  H    7.337051   8.044750   6.860956   6.449333   7.796132
    45  H    6.131102   6.534262   5.967613   5.678425   7.006019
    46  C    5.321337   6.050359   4.740912   4.730514   5.578925
    47  H    4.995258   5.926956   4.205915   4.306065   4.894495
    48  H    4.840615   5.246903   4.557944   4.674725   5.482046
    49  H    6.376062   6.975989   5.801838   5.816583   6.597338
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391783   0.000000
    23  H    3.830689   1.102388   0.000000
    24  H    3.612225   1.102472   1.789893   0.000000
    25  H    4.179175   1.098911   1.797552   1.795195   0.000000
    26  C    6.536525   6.463656   7.565829   6.200570   6.164912
    27  O    6.924233   7.332918   8.429526   7.011472   7.162167
    28  N    5.664698   5.592993   6.681858   5.534253   5.243975
    29  H    7.120414   6.541441   7.626825   6.202520   6.143031
    30  C    5.787064   4.930838   5.976421   5.006531   4.337696
    31  H    6.428285   5.584387   6.565758   5.822296   4.883052
    32  H    4.885287   3.881866   4.916009   4.065377   3.313306
    33  H    6.440403   5.147754   6.177377   5.067228   4.488225
    34  C    5.102213   5.810446   6.847749   5.900086   5.612981
    35  H    5.925876   6.646264   7.652038   6.840759   6.356000
    36  H    5.094984   6.266561   7.298753   6.229476   6.231629
    37  H    4.191058   4.981754   5.967917   5.206495   4.840125
    38  C    3.838016   5.950772   6.589351   5.417593   6.701364
    39  O    4.606834   6.158302   6.746937   5.437389   6.928909
    40  N    4.162144   6.317755   7.105110   5.873736   6.901622
    41  H    3.188635   5.751715   6.270383   5.368766   6.590842
    42  C    5.349144   6.977708   7.866256   6.421021   7.414770
    43  H    5.613589   6.814411   7.680270   6.111103   7.263327
    44  H    6.236585   8.060045   8.931795   7.507768   8.508780
    45  H    5.403824   6.819634   7.791760   6.348177   7.106948
    46  C    3.842771   6.430605   7.220009   6.230033   6.949211
    47  H    3.217824   6.211165   6.875799   6.112922   6.835752
    48  H    3.698803   5.950456   6.827467   5.833751   6.321773
    49  H    4.858656   7.511006   8.307600   7.320076   7.993679
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242721   0.000000
    28  N    1.360866   2.314833   0.000000
    29  H    1.107863   2.057524   2.057187   0.000000
    30  C    2.466204   3.635063   1.463264   2.562700   0.000000
    31  H    3.134857   4.226731   2.116903   3.257479   1.103015
    32  H    3.232968   4.324839   2.108179   3.396125   1.101947
    33  H    2.554953   3.797352   2.103563   2.164195   1.098555
    34  C    2.462488   2.850933   1.465215   3.413587   2.497039
    35  H    3.022675   3.322175   2.123336   3.939536   2.952794
    36  H    2.585460   2.500540   2.100444   3.659681   3.388850
    37  H    3.293297   3.808150   2.098617   4.116739   2.614146
    38  C    6.210272   6.008415   6.109796   6.806363   6.891630
    39  O    6.585140   6.412528   6.642611   7.013229   7.344870
    40  N    5.294914   4.932336   5.262824   6.026803   6.256064
    41  H    6.838822   6.722771   6.536088   7.483291   7.215977
    42  C    4.611195   4.036754   4.948442   5.274546   6.089913
    43  H    4.751977   4.304677   5.207354   5.204449   6.209265
    44  H    5.313311   4.530249   5.762309   6.006581   7.001383
    45  H    3.600636   2.979890   3.976061   4.356354   5.216901
    46  C    5.328183   4.978592   5.040661   6.231420   6.068731
    47  H    6.158640   5.940652   5.692388   7.038043   6.552342
    48  H    4.436759   4.209057   4.017332   5.382705   5.048166
    49  H    5.740395   5.180424   5.574124   6.709086   6.740357
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787826   0.000000
    33  H    1.798634   1.793932   0.000000
    34  C    2.814036   2.734761   3.420590   0.000000
    35  H    2.856263   3.351260   3.906815   1.103440   0.000000
    36  H    3.844246   3.600089   4.170649   1.097346   1.796134
    37  H    2.942851   2.396739   3.631379   1.099565   1.790857
    38  C    7.814508   6.445033   7.269619   5.765524   6.746114
    39  O    8.347882   6.917180   7.551320   6.541790   7.576324
    40  N    7.117126   5.976134   6.709720   4.802772   5.716517
    41  H    8.071976   6.641880   7.697539   6.028866   6.963438
    42  C    6.983773   6.047511   6.389073   4.751372   5.641648
    43  H    7.193268   6.149890   6.334257   5.289122   6.254124
    44  H    7.842702   7.036123   7.308918   5.479280   6.255235
    45  H    6.056905   5.304701   5.552425   3.801447   4.653342
    46  C    6.761533   5.776348   6.734153   4.199301   4.955025
    47  H    7.207412   6.097877   7.273065   4.772739   5.499145
    48  H    5.690544   4.802297   5.777191   3.104444   3.874756
    49  H    7.359210   6.573416   7.425394   4.636071   5.227818
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796227   0.000000
    38  C    5.094952   5.509374   0.000000
    39  O    5.912200   6.341290   1.242860   0.000000
    40  N    3.986914   4.727203   1.361289   2.315185   0.000000
    41  H    5.440291   5.594669   1.108644   2.058144   2.058355
    42  C    3.851586   4.987712   2.470803   2.864085   1.465761
    43  H    4.518275   5.504333   2.574590   2.470860   2.104815
    44  H    4.479852   5.809002   3.091531   3.442358   2.119762
    45  H    2.887345   4.196155   3.263660   3.760854   2.100788
    46  C    3.375535   4.037201   2.466780   3.634486   1.463264
    47  H    4.108995   4.373551   2.554287   3.796286   2.106076
    48  H    2.338092   2.956972   3.151181   4.226336   2.108517
    49  H    3.683533   4.645760   3.216622   4.321028   2.111901
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419817   0.000000
    43  H    3.655551   1.097791   0.000000
    44  H    3.993548   1.102580   1.797359   0.000000
    45  H    4.089363   1.100811   1.795990   1.790401   0.000000
    46  C    2.564043   2.488708   3.385934   2.938761   2.602462
    47  H    2.161425   3.418686   4.186166   3.872420   3.642261
    48  H    3.294224   2.762482   3.613052   3.393918   2.433494
    49  H    3.363986   2.757968   3.800623   2.796446   2.855927
                   46         47         48         49
    46  C    0.000000
    47  H    1.098619   0.000000
    48  H    1.103434   1.795474   0.000000
    49  H    1.101844   1.796777   1.790991   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2145378      0.1945429      0.1849283
 Leave Link  202 at Mon Nov 14 03:55:23 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.5506866551 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843854764 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.3663011787 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4035
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.14D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     221
 GePol: Fraction of low-weight points (<1% of avg)   =       5.48%
 GePol: Cavity surface area                          =    467.357 Ang**2
 GePol: Cavity volume                                =    458.178 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039881728 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.3623130059 Hartrees.
 Leave Link  301 at Mon Nov 14 03:55:23 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37497.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:55:24 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:55:25 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000104    0.000318   -0.000377
         Rot=    1.000000    0.000000   -0.000027    0.000013 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 03:55:25 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48843675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.07D-14 for   3301.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.98D-15 for   2232    133.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.55D-15 for   3301.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.15D-09 for   2460   2457.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.02D-14 for   1905.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.09D-14 for   2334    135.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   3190.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.13D-15 for   2440    150.
 E= -1013.45140547789    
 DIIS: error= 4.25D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45140547789     IErMin= 1 ErrMin= 4.25D-05
 ErrMax= 4.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-06 BMatP= 2.69D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.01D-05 MaxDP=4.06D-04              OVMax= 5.46D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.01D-05    CP:  1.00D+00
 E= -1013.45140994902     Delta-E=       -0.000004471127 Rises=F Damp=F
 DIIS: error= 1.26D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45140994902     IErMin= 2 ErrMin= 1.26D-05
 ErrMax= 1.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.51D-08 BMatP= 2.69D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.398D-01 0.960D+00
 Coeff:      0.398D-01 0.960D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.68D-06 MaxDP=1.73D-04 DE=-4.47D-06 OVMax= 2.71D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.62D-06    CP:  1.00D+00  9.42D-01
 E= -1013.45140959498     Delta-E=        0.000000354034 Rises=F Damp=F
 DIIS: error= 3.47D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45140994902     IErMin= 2 ErrMin= 1.26D-05
 ErrMax= 3.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.13D-07 BMatP= 9.51D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.403D-02 0.709D+00 0.287D+00
 Coeff:      0.403D-02 0.709D+00 0.287D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.95D-06 MaxDP=1.44D-04 DE= 3.54D-07 OVMax= 2.30D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.80D-07    CP:  1.00D+00  9.66D-01  3.23D-01
 E= -1013.45141002349     Delta-E=       -0.000000428506 Rises=F Damp=F
 DIIS: error= 3.76D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141002349     IErMin= 4 ErrMin= 3.76D-06
 ErrMax= 3.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-08 BMatP= 9.51D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.432D-05 0.268D+00 0.167D+00 0.565D+00
 Coeff:      0.432D-05 0.268D+00 0.167D+00 0.565D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.79D-07 MaxDP=1.81D-05 DE=-4.29D-07 OVMax= 3.10D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.72D-07    CP:  1.00D+00  9.71D-01  3.49D-01  5.81D-01
 E= -1013.45141003349     Delta-E=       -0.000000010001 Rises=F Damp=F
 DIIS: error= 1.55D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141003349     IErMin= 5 ErrMin= 1.55D-06
 ErrMax= 1.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-09 BMatP= 1.30D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.414D-04 0.152D+00 0.998D-01 0.374D+00 0.374D+00
 Coeff:      0.414D-04 0.152D+00 0.998D-01 0.374D+00 0.374D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.66D-08 MaxDP=4.35D-06 DE=-1.00D-08 OVMax= 6.07D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.38D-08    CP:  1.00D+00  9.71D-01  3.46D-01  5.89D-01  6.66D-01
 E= -1013.45141003450     Delta-E=       -0.000000001014 Rises=F Damp=F
 DIIS: error= 1.14D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141003450     IErMin= 6 ErrMin= 1.14D-07
 ErrMax= 1.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-11 BMatP= 1.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.105D-04 0.400D-01 0.267D-01 0.107D+00 0.143D+00 0.683D+00
 Coeff:     -0.105D-04 0.400D-01 0.267D-01 0.107D+00 0.143D+00 0.683D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.49D-08 MaxDP=6.04D-07 DE=-1.01D-09 OVMax= 8.72D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.28D-08    CP:  1.00D+00  9.71D-01  3.46D-01  5.94D-01  6.53D-01
                    CP:  9.03D-01
 E= -1013.45141003457     Delta-E=       -0.000000000063 Rises=F Damp=F
 DIIS: error= 4.51D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141003457     IErMin= 7 ErrMin= 4.51D-08
 ErrMax= 4.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-12 BMatP= 1.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-04 0.124D-01 0.843D-02 0.350D-01 0.542D-01 0.365D+00
 Coeff-Com:  0.525D+00
 Coeff:     -0.146D-04 0.124D-01 0.843D-02 0.350D-01 0.542D-01 0.365D+00
 Coeff:      0.525D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.52D-09 MaxDP=2.48D-07 DE=-6.28D-11 OVMax= 3.68D-07

 Error on total polarization charges =  0.04319
 SCF Done:  E(RB97D) =  -1013.45141003     A.U. after    7 cycles
            NFock=  7  Conv=0.55D-08     -V/T= 2.0213
 KE= 9.923510105295D+02 PE=-6.030282532409D+03 EE= 2.175117798839D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.50
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:56:59 2016, MaxMem=  2952790016 cpu:      1069.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37497.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 03:57:08 2016, MaxMem=  2952790016 cpu:        96.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:57:08 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 03:57:45 2016, MaxMem=  2952790016 cpu:       441.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24355424D+00-2.54647022D+00 3.32335617D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000118058    0.000026297    0.000021550
      2        6           0.000079575    0.000027447    0.000004272
      3        8           0.000004140    0.000012861   -0.000024653
      4        7           0.000105846    0.000111105    0.000080556
      5        1          -0.000005175    0.000013367    0.000026933
      6        6          -0.000149587   -0.000096121   -0.000155558
      7        1           0.000025767    0.000038900    0.000019213
      8        1           0.000022748    0.000021846    0.000071246
      9        1           0.000048635    0.000075946    0.000114471
     10        6          -0.000053364    0.000128291   -0.000046821
     11        1           0.000017061    0.000018727   -0.000014497
     12        1           0.000022119    0.000023110    0.000048493
     13        1           0.000030473    0.000024358    0.000012154
     14        6          -0.000004202    0.000005584   -0.000027626
     15        8          -0.000007698   -0.000030983   -0.000030389
     16        7           0.000026628    0.000023425    0.000003945
     17        1           0.000009431   -0.000012848   -0.000025072
     18        6          -0.000003352   -0.000042653   -0.000046383
     19        1           0.000006963    0.000003034   -0.000069463
     20        1           0.000007822   -0.000010680   -0.000044844
     21        1           0.000000469    0.000009282   -0.000041766
     22        6           0.000007014   -0.000009456   -0.000001749
     23        1           0.000022742    0.000018375   -0.000066422
     24        1           0.000011647    0.000031635   -0.000031895
     25        1           0.000019519    0.000022561   -0.000038048
     26        6           0.000001330    0.000031616    0.000051220
     27        8           0.000038874   -0.000019510    0.000066531
     28        7           0.000004209   -0.000075284    0.000026858
     29        1          -0.000058302   -0.000007122    0.000006373
     30        6          -0.000021822    0.000001556    0.000007270
     31        1          -0.000004047    0.000004468    0.000016256
     32        1           0.000031780    0.000012999   -0.000000841
     33        1           0.000005109    0.000010078    0.000003384
     34        6           0.000009165   -0.000042297   -0.000030030
     35        1          -0.000021857   -0.000023617    0.000015700
     36        1          -0.000023920   -0.000004474    0.000020133
     37        1          -0.000015896   -0.000016549   -0.000011283
     38        6           0.000145378   -0.000009766    0.000142337
     39        8          -0.000065544    0.000069497   -0.000120014
     40        7          -0.000149314   -0.000063369   -0.000031438
     41        1          -0.000000707   -0.000037926   -0.000028138
     42        6          -0.000135530   -0.000083847    0.000157283
     43        1          -0.000007706   -0.000053587    0.000001964
     44        1           0.000096058    0.000015423   -0.000042374
     45        1          -0.000072617    0.000001540    0.000007302
     46        6          -0.000015705   -0.000054721   -0.000043529
     47        1          -0.000033131   -0.000019887    0.000000215
     48        1          -0.000036693   -0.000041297    0.000034576
     49        1          -0.000032391   -0.000027336    0.000012594
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000157283 RMS     0.000052128
 Leave Link  716 at Mon Nov 14 03:57:45 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000149796 RMS     0.000010505
 Search for a local minimum.
 Step number  84 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .10505D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   56   60   61   62   67
                                                     68   69   70   71   72
                                                     73   74   75   76   77
                                                     78   79   80   81   82
                                                     83   84
 DE= -1.41D-06 DEPred=-7.51D-07 R= 1.88D+00
 TightC=F SS=  1.41D+00  RLast= 3.06D-02 DXNew= 5.9730D-01 9.1731D-02
 Trust test= 1.88D+00 RLast= 3.06D-02 DXMaxT set to 3.55D-01
 ITU=  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1
 ITU=  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0
 ITU=  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  0
     Eigenvalues ---    0.00014   0.00058   0.00103   0.00115   0.00139
     Eigenvalues ---    0.00176   0.00198   0.00211   0.00271   0.00354
     Eigenvalues ---    0.00425   0.00437   0.00547   0.00621   0.00674
     Eigenvalues ---    0.00767   0.00804   0.00838   0.00905   0.00978
     Eigenvalues ---    0.01033   0.01132   0.01198   0.01213   0.01236
     Eigenvalues ---    0.01300   0.01441   0.01499   0.01547   0.01613
     Eigenvalues ---    0.01688   0.01734   0.01786   0.01833   0.01863
     Eigenvalues ---    0.01909   0.01993   0.02087   0.02139   0.02186
     Eigenvalues ---    0.02308   0.02314   0.02648   0.02684   0.02828
     Eigenvalues ---    0.03061   0.03256   0.03559   0.03867   0.04323
     Eigenvalues ---    0.04480   0.04939   0.05428   0.05573   0.06028
     Eigenvalues ---    0.06135   0.06221   0.06331   0.06501   0.06719
     Eigenvalues ---    0.07078   0.07208   0.07485   0.07724   0.07784
     Eigenvalues ---    0.08077   0.08148   0.08196   0.08310   0.08381
     Eigenvalues ---    0.08620   0.08719   0.08966   0.09059   0.09344
     Eigenvalues ---    0.09410   0.09679   0.09894   0.09983   0.10134
     Eigenvalues ---    0.10275   0.10425   0.10496   0.10818   0.10946
     Eigenvalues ---    0.11122   0.11271   0.11391   0.11835   0.13319
     Eigenvalues ---    0.13445   0.14231   0.14906   0.15159   0.15498
     Eigenvalues ---    0.15666   0.16032   0.21076   0.22455   0.22925
     Eigenvalues ---    0.23721   0.24534   0.24709   0.25996   0.26476
     Eigenvalues ---    0.26956   0.27438   0.28278   0.29282   0.29783
     Eigenvalues ---    0.29837   0.31462   0.32794   0.32823   0.32826
     Eigenvalues ---    0.32930   0.33301   0.33355   0.33374   0.33387
     Eigenvalues ---    0.33405   0.33424   0.33510   0.33641   0.33696
     Eigenvalues ---    0.33797   0.33818   0.33842   0.33924   0.33958
     Eigenvalues ---    0.34123   0.34201   0.34293   0.37290   0.38951
     Eigenvalues ---    0.39845   0.40801   0.85941   0.86210   0.86501
     Eigenvalues ---    0.91469
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    84   83   82   81   80
 RFO step:  Lambda=-3.09458149D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.94D-06 SmlDif=  1.00D-05
 RMS Error=  0.5330158868D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.71243   -1.59440   -0.89481    0.72665    0.05012
 Iteration  1 RMS(Cart)=  0.00103194 RMS(Int)=  0.00000135
 Iteration  2 RMS(Cart)=  0.00000099 RMS(Int)=  0.00000086
 ITry= 1 IFail=0 DXMaxC= 1.16D-02 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59400  -0.00001  -0.00080   0.00071  -0.00010   6.59390
    R2        6.26018   0.00002   0.00284  -0.00001   0.00283   6.26301
    R3        7.25380   0.00001   0.00313  -0.00115   0.00199   7.25579
    R4        6.35342   0.00002   0.00265  -0.00175   0.00090   6.35431
    R5        6.52716   0.00000   0.00189   0.00015   0.00203   6.52919
    R6        5.96534   0.00002   0.00167   0.00033   0.00201   5.96735
    R7        6.69739   0.00000   0.00165   0.00033   0.00198   6.69937
    R8        6.23133  -0.00001   0.00103  -0.00020   0.00084   6.23217
    R9        6.66474   0.00000   0.00136  -0.00047   0.00088   6.66562
   R10        6.06500   0.00000   0.00198  -0.00009   0.00189   6.06689
   R11        6.95719   0.00000   0.00054  -0.00020   0.00034   6.95753
   R12        6.02965   0.00000   0.00010   0.00006   0.00016   6.02981
   R13        6.88505   0.00001   0.00123   0.00081   0.00204   6.88709
   R14        6.19658   0.00001  -0.00089   0.00015  -0.00074   6.19584
   R15        6.87064  -0.00002  -0.00240  -0.00054  -0.00294   6.86770
   R16        5.95546   0.00000  -0.00314  -0.00060  -0.00374   5.95171
   R17        6.68451   0.00002   0.00054  -0.00036   0.00018   6.68469
   R18        6.57649  -0.00001   0.00208  -0.00057   0.00152   6.57801
   R19        6.21982   0.00000   0.00123   0.00040   0.00163   6.22145
   R20        6.58342  -0.00002  -0.00003  -0.00073  -0.00075   6.58267
   R21        6.05002  -0.00001   0.00213  -0.00314  -0.00100   6.04902
   R22        7.00480   0.00000   0.00379   0.00055   0.00433   7.00914
   R23        6.01371   0.00002   0.00398  -0.00002   0.00396   6.01768
   R24        2.34964   0.00003   0.00007  -0.00001   0.00006   2.34970
   R25        2.57155   0.00000  -0.00009   0.00004  -0.00006   2.57150
   R26        2.09474   0.00000  -0.00003   0.00002  -0.00002   2.09472
   R27        2.76565  -0.00008  -0.00025  -0.00019  -0.00045   2.76521
   R28        2.76848  -0.00004  -0.00014  -0.00005  -0.00019   2.76829
   R29        2.07651   0.00000   0.00000   0.00001   0.00001   2.07652
   R30        2.08227   0.00005   0.00007   0.00003   0.00011   2.08237
   R31        2.08297   0.00001   0.00003   0.00000   0.00003   2.08300
   R32        2.08099   0.00000   0.00001   0.00004   0.00005   2.08104
   R33        2.07460   0.00000  -0.00002   0.00001  -0.00001   2.07459
   R34        2.08347   0.00001   0.00000   0.00001   0.00001   2.08348
   R35        2.34875   0.00000   0.00000   0.00001   0.00001   2.34876
   R36        2.57178   0.00000  -0.00010   0.00001  -0.00009   2.57169
   R37        2.09414   0.00000   0.00002  -0.00002   0.00000   2.09415
   R38        2.76833   0.00000  -0.00014   0.00001  -0.00013   2.76820
   R39        2.76501   0.00001  -0.00012   0.00004  -0.00008   2.76493
   R40        2.08184   0.00002  -0.00005   0.00000  -0.00005   2.08179
   R41        2.08406   0.00000   0.00002   0.00000   0.00002   2.08407
   R42        2.07407   0.00001   0.00002   0.00000   0.00002   2.07409
   R43        2.08321   0.00000   0.00002   0.00000   0.00002   2.08323
   R44        2.08337   0.00001   0.00001   0.00001   0.00001   2.08338
   R45        2.07664   0.00000  -0.00001   0.00001   0.00000   2.07664
   R46        2.34840   0.00000  -0.00002  -0.00003  -0.00004   2.34836
   R47        2.57166   0.00001   0.00000   0.00003   0.00003   2.57169
   R48        2.09356   0.00000   0.00001   0.00000   0.00001   2.09356
   R49        2.76517  -0.00002   0.00003  -0.00003   0.00000   2.76517
   R50        2.76885  -0.00002  -0.00005   0.00001  -0.00004   2.76881
   R51        2.08440   0.00000   0.00002   0.00000   0.00002   2.08441
   R52        2.08238  -0.00003  -0.00008  -0.00001  -0.00010   2.08228
   R53        2.07597   0.00001   0.00002   0.00002   0.00003   2.07600
   R54        2.08520   0.00000   0.00002   0.00000   0.00002   2.08522
   R55        2.07368   0.00002   0.00003   0.00002   0.00005   2.07373
   R56        2.07788   0.00000  -0.00001   0.00000  -0.00001   2.07786
   R57        2.34866   0.00015   0.00015   0.00005   0.00020   2.34886
   R58        2.57246  -0.00008  -0.00045   0.00002  -0.00043   2.57204
   R59        2.09503   0.00000   0.00005  -0.00005   0.00000   2.09503
   R60        2.76989   0.00001  -0.00027   0.00001  -0.00026   2.76963
   R61        2.76517   0.00000   0.00013  -0.00004   0.00008   2.76525
   R62        2.07452   0.00001   0.00002   0.00000   0.00002   2.07454
   R63        2.08357  -0.00002  -0.00001  -0.00002  -0.00004   2.08354
   R64        2.08023  -0.00003  -0.00023   0.00004  -0.00019   2.08005
   R65        2.07609   0.00000   0.00002  -0.00001   0.00001   2.07609
   R66        2.08519   0.00000  -0.00011   0.00006  -0.00005   2.08514
   R67        2.08218   0.00001  -0.00003   0.00002  -0.00001   2.08217
    A1        0.68035  -0.00001  -0.00023   0.00002  -0.00021   0.68014
    A2        0.95736   0.00000  -0.00038   0.00005  -0.00034   0.95702
    A3        0.72746  -0.00001  -0.00009  -0.00007  -0.00015   0.72731
    A4        1.01964  -0.00001  -0.00024  -0.00005  -0.00028   1.01936
    A5        2.34625   0.00001   0.00005   0.00002   0.00008   2.34632
    A6        2.02795   0.00001   0.00008  -0.00007   0.00002   2.02797
    A7        1.98397   0.00000   0.00000  -0.00022  -0.00022   1.98375
    A8        1.69214   0.00000   0.00000  -0.00032  -0.00032   1.69182
    A9        1.65739   0.00000   0.00015  -0.00003   0.00011   1.65750
   A10        1.37622   0.00000   0.00022  -0.00006   0.00016   1.37638
   A11        1.73015   0.00000   0.00016   0.00018   0.00034   1.73049
   A12        2.03481   0.00000   0.00018   0.00018   0.00036   2.03517
   A13        1.94096   0.00000   0.00030   0.00021   0.00051   1.94146
   A14        2.02846   0.00000   0.00025   0.00031   0.00056   2.02902
   A15        2.42911   0.00000   0.00006   0.00016   0.00022   2.42933
   A16        1.58881   0.00000   0.00060   0.00004   0.00064   1.58946
   A17        1.78792   0.00000   0.00066   0.00021   0.00087   1.78879
   A18        1.56567   0.00000   0.00078   0.00036   0.00115   1.56682
   A19        1.70321   0.00000   0.00132   0.00026   0.00157   1.70478
   A20        2.19160   0.00000   0.00041   0.00018   0.00059   2.19219
   A21        2.41101   0.00000   0.00072   0.00033   0.00105   2.41207
   A22        0.64292  -0.00001  -0.00031   0.00007  -0.00024   0.64268
   A23        0.65983  -0.00001  -0.00031   0.00000  -0.00031   0.65953
   A24        2.39624   0.00001   0.00000   0.00013   0.00013   2.39637
   A25        2.22536   0.00001  -0.00003  -0.00004  -0.00007   2.22529
   A26        2.32589   0.00001  -0.00011  -0.00022  -0.00033   2.32556
   A27        2.06333   0.00000  -0.00010  -0.00035  -0.00046   2.06288
   A28        1.81775   0.00001   0.00002  -0.00005  -0.00004   1.81771
   A29        1.57781   0.00001   0.00013  -0.00008   0.00005   1.57786
   A30        1.33703   0.00000   0.00016   0.00018   0.00034   1.33738
   A31        1.63598   0.00000   0.00019   0.00022   0.00040   1.63639
   A32        1.58663   0.00000   0.00034   0.00029   0.00063   1.58726
   A33        1.73825   0.00000   0.00034   0.00041   0.00074   1.73899
   A34        2.03270   0.00000   0.00008   0.00018   0.00027   2.03297
   A35        1.85281  -0.00001   0.00072   0.00002   0.00074   1.85355
   A36        1.91963   0.00000   0.00088   0.00020   0.00109   1.92072
   A37        1.57115   0.00000   0.00100   0.00030   0.00129   1.57244
   A38        1.58711   0.00000   0.00158   0.00019   0.00176   1.58887
   A39        2.27466   0.00000   0.00067   0.00025   0.00092   2.27558
   A40        2.36918   0.00000   0.00118   0.00048   0.00166   2.37085
   A41        0.68891  -0.00001  -0.00037   0.00008  -0.00029   0.68861
   A42        0.74705   0.00000  -0.00048   0.00010  -0.00038   0.74668
   A43        2.65934   0.00000  -0.00012   0.00025   0.00013   2.65947
   A44        2.60404   0.00000  -0.00028   0.00004  -0.00023   2.60380
   A45        2.66265  -0.00001  -0.00020  -0.00021  -0.00041   2.66224
   A46        2.35891  -0.00001  -0.00012  -0.00029  -0.00041   2.35850
   A47        2.19645   0.00000  -0.00023   0.00002  -0.00021   2.19624
   A48        1.96319  -0.00001  -0.00010  -0.00002  -0.00012   1.96307
   A49        1.09383   0.00001   0.00038   0.00025   0.00063   1.09447
   A50        1.45334   0.00001   0.00032   0.00026   0.00058   1.45392
   A51        1.55481   0.00001   0.00045   0.00038   0.00083   1.55563
   A52        1.79004   0.00000   0.00043   0.00048   0.00091   1.79095
   A53        1.77971   0.00001   0.00022   0.00015   0.00037   1.78008
   A54        1.71224  -0.00001   0.00083  -0.00003   0.00080   1.71304
   A55        1.64782   0.00001   0.00110   0.00013   0.00122   1.64904
   A56        1.24767   0.00001   0.00121   0.00018   0.00138   1.24905
   A57        1.21359   0.00001   0.00181   0.00009   0.00191   1.21550
   A58        1.94214   0.00001   0.00092   0.00020   0.00112   1.94326
   A59        1.99140   0.00001   0.00143   0.00043   0.00186   1.99326
   A60        0.83928   0.00000  -0.00033   0.00008  -0.00025   0.83903
   A61        0.77595   0.00000  -0.00036   0.00010  -0.00027   0.77569
   A62        2.59727   0.00000   0.00022   0.00019   0.00041   2.59768
   A63        2.76794   0.00000  -0.00018   0.00007  -0.00012   2.76782
   A64        2.61730   0.00000  -0.00022  -0.00023  -0.00045   2.61684
   A65        2.39428   0.00000  -0.00022  -0.00001  -0.00023   2.39405
   A66        2.20167   0.00000  -0.00014  -0.00002  -0.00016   2.20151
   A67        0.85084   0.00001   0.00061   0.00025   0.00087   0.85171
   A68        1.22635   0.00001   0.00054   0.00023   0.00077   1.22712
   A69        1.40656   0.00001   0.00070   0.00035   0.00104   1.40761
   A70        1.67738   0.00000   0.00071   0.00042   0.00113   1.67852
   A71        1.51593   0.00000   0.00041   0.00011   0.00052   1.51644
   A72        1.72920  -0.00001   0.00059   0.00001   0.00060   1.72980
   A73        1.55981   0.00000   0.00094   0.00014   0.00108   1.56089
   A74        1.13072   0.00000   0.00104   0.00013   0.00116   1.13188
   A75        1.01923   0.00000   0.00174   0.00005   0.00179   1.02102
   A76        1.77665   0.00000   0.00088   0.00023   0.00111   1.77776
   A77        1.76811   0.00001   0.00147   0.00044   0.00192   1.77003
   A78        1.99773   0.00001   0.00019   0.00016   0.00035   1.99808
   A79        1.94300   0.00001   0.00008  -0.00002   0.00006   1.94307
   A80        2.22194   0.00000  -0.00009  -0.00016  -0.00025   2.22168
   A81        2.08272   0.00000  -0.00021  -0.00038  -0.00060   2.08212
   A82        1.55503   0.00001   0.00011  -0.00009   0.00002   1.55505
   A83        1.39000   0.00000   0.00021  -0.00013   0.00009   1.39009
   A84        1.19618   0.00001  -0.00001   0.00009   0.00007   1.19626
   A85        1.38152   0.00001   0.00017   0.00019   0.00036   1.38187
   A86        1.21454   0.00001   0.00036   0.00027   0.00063   1.21517
   A87        1.32019   0.00001   0.00043   0.00041   0.00084   1.32103
   A88        1.80822   0.00001   0.00013   0.00021   0.00034   1.80856
   A89        2.28353  -0.00001   0.00055   0.00000   0.00055   2.28408
   A90        2.32987   0.00000   0.00073   0.00020   0.00093   2.33080
   A91        1.93603   0.00000   0.00083   0.00025   0.00108   1.93711
   A92        1.85812   0.00000   0.00140   0.00013   0.00152   1.85964
   A93        2.61566   0.00000   0.00055   0.00030   0.00086   2.61652
   A94        2.55755   0.00001   0.00106   0.00052   0.00158   2.55914
   A95        1.91311   0.00000   0.00038   0.00015   0.00053   1.91364
   A96        1.99414   0.00000   0.00021  -0.00003   0.00018   1.99432
   A97        2.37043   0.00000   0.00001  -0.00011  -0.00010   2.37033
   A98        2.32886  -0.00001  -0.00022  -0.00038  -0.00060   2.32827
   A99        1.66596   0.00000   0.00017  -0.00014   0.00004   1.66600
   A100       1.57453   0.00000   0.00024  -0.00017   0.00007   1.57460
   A101       0.89024   0.00001  -0.00003   0.00006   0.00003   0.89027
   A102       1.05951   0.00001   0.00029   0.00018   0.00047   1.05998
   A103       0.92894   0.00001   0.00061   0.00028   0.00089   0.92983
   A104       1.08918   0.00001   0.00073   0.00041   0.00114   1.09031
   A105       1.48610   0.00000   0.00024   0.00020   0.00044   1.48654
   A106       2.45852  -0.00001   0.00036   0.00006   0.00043   2.45894
   A107       2.33293   0.00001   0.00055   0.00023   0.00078   2.33372
   A108       1.90081   0.00000   0.00061   0.00020   0.00082   1.90163
   A109       1.72817   0.00001   0.00113   0.00009   0.00122   1.72940
   A110       2.45257   0.00001   0.00043   0.00033   0.00076   2.45333
   A111       2.29290   0.00001   0.00094   0.00049   0.00143   2.29433
   A112       0.71350   0.00000  -0.00019   0.00001  -0.00018   0.71332
   A113       1.00530   0.00000  -0.00028   0.00001  -0.00028   1.00503
   A114       0.69553   0.00000  -0.00012   0.00002  -0.00010   0.69543
   A115       0.98320   0.00001  -0.00018   0.00003  -0.00015   0.98306
   A116       1.80600  -0.00001  -0.00033  -0.00017  -0.00050   1.80550
   A117       1.42552  -0.00001  -0.00021  -0.00012  -0.00033   1.42519
   A118       1.19285  -0.00001  -0.00046  -0.00017  -0.00063   1.19223
   A119       0.92009   0.00000  -0.00049  -0.00024  -0.00073   0.91936
   A120       1.25026  -0.00001  -0.00002  -0.00003  -0.00005   1.25021
   A121       1.90874   0.00000  -0.00073  -0.00022  -0.00095   1.90779
   A122       1.95517  -0.00001  -0.00091  -0.00036  -0.00127   1.95389
   A123       2.31331  -0.00001  -0.00098  -0.00042  -0.00140   2.31190
   A124       2.23247   0.00000  -0.00141  -0.00028  -0.00169   2.23077
   A125       1.61191   0.00000  -0.00066  -0.00037  -0.00104   1.61087
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   A134       1.75517   0.00001  -0.00047  -0.00009  -0.00055   1.75462
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   A136       2.38451  -0.00001  -0.00086  -0.00019  -0.00105   2.38346
   A137       2.46533  -0.00001  -0.00153  -0.00013  -0.00167   2.46367
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   A216       1.92838   0.00000  -0.00039  -0.00008  -0.00047   1.92791
   A217       1.55881   0.00001  -0.00025  -0.00015  -0.00040   1.55842
   A218       1.48656   0.00001  -0.00032  -0.00029  -0.00061   1.48595
   A219       1.19507   0.00001  -0.00058  -0.00023  -0.00081   1.19426
   A220       1.23592   0.00001  -0.00006  -0.00005  -0.00011   1.23581
   A221       0.95511   0.00001   0.00021   0.00003   0.00024   0.95535
   A222       0.72540  -0.00001  -0.00021   0.00008  -0.00013   0.72527
   A223       1.01751  -0.00001  -0.00044   0.00016  -0.00028   1.01724
   A224       0.69798   0.00000  -0.00033  -0.00001  -0.00034   0.69764
   A225       0.98160   0.00000  -0.00051  -0.00006  -0.00056   0.98103
   A226       0.65840   0.00000  -0.00040   0.00017  -0.00023   0.65817
   A227       0.66269   0.00000  -0.00021  -0.00004  -0.00025   0.66244
   A228       0.70422   0.00000  -0.00032  -0.00003  -0.00035   0.70388
   A229       0.85007   0.00000   0.00001   0.00002   0.00004   0.85011
   A230       0.75918   0.00000  -0.00083   0.00019  -0.00063   0.75855
   A231       0.78216   0.00000  -0.00040   0.00029  -0.00011   0.78205
   A232       1.58865   0.00000  -0.00073   0.00050  -0.00023   1.58843
   A233       1.86502  -0.00001  -0.00060  -0.00066  -0.00126   1.86376
   A234       2.19025   0.00002  -0.00011   0.00012   0.00001   2.19025
   A235       2.12927   0.00000  -0.00001  -0.00009  -0.00010   2.12917
   A236       1.96330  -0.00002   0.00013  -0.00004   0.00009   1.96339
   A237       2.12395   0.00000   0.00006  -0.00008  -0.00001   2.12394
   A238       2.12698  -0.00003   0.00001  -0.00007  -0.00005   2.12693
   A239       2.03167   0.00003  -0.00014   0.00014   0.00001   2.03167
   A240       1.82794   0.00001   0.00094  -0.00017   0.00077   1.82871
   A241       2.54606   0.00001  -0.00079   0.00021  -0.00057   2.54549
   A242       1.91363   0.00002   0.00013   0.00007   0.00020   1.91383
   A243       1.91677   0.00001   0.00004  -0.00002   0.00002   1.91678
   A244       1.91567   0.00000   0.00049  -0.00006   0.00044   1.91611
   A245       1.90988   0.00000   0.00027  -0.00007   0.00021   1.91009
   A246       1.90862  -0.00002  -0.00019  -0.00005  -0.00024   1.90837
   A247       1.89916  -0.00001  -0.00076   0.00013  -0.00063   1.89854
   A248       1.28895  -0.00003  -0.00034  -0.00016  -0.00050   1.28845
   A249       1.90407   0.00001  -0.00010   0.00008  -0.00002   1.90406
   A250       1.90920   0.00001   0.00012  -0.00008   0.00005   1.90925
   A251       1.92759   0.00001   0.00000   0.00016   0.00016   1.92775
   A252       1.91180  -0.00003   0.00001  -0.00012  -0.00011   1.91170
   A253       1.89788  -0.00001  -0.00002  -0.00003  -0.00005   1.89782
   A254       1.91317   0.00000  -0.00001  -0.00002  -0.00003   1.91314
   A255       1.72233   0.00001  -0.00027   0.00002  -0.00025   1.72208
   A256       1.76408   0.00001   0.00064   0.00014   0.00078   1.76485
   A257       2.19148   0.00000  -0.00001  -0.00002  -0.00003   2.19145
   A258       2.12967  -0.00001  -0.00002  -0.00002  -0.00003   2.12964
   A259       1.96183   0.00000   0.00003   0.00003   0.00006   1.96189
   A260       2.12547   0.00001   0.00005   0.00000   0.00005   2.12552
   A261       2.12256   0.00001   0.00010   0.00006   0.00016   2.12273
   A262       2.03484  -0.00001  -0.00014  -0.00006  -0.00020   2.03464
   A263       1.36243  -0.00001  -0.00020  -0.00034  -0.00054   1.36190
   A264       1.90156   0.00000  -0.00006  -0.00007  -0.00013   1.90143
   A265       1.93076   0.00000  -0.00005   0.00004  -0.00002   1.93074
   A266       1.90964  -0.00001   0.00015   0.00001   0.00016   1.90980
   A267       1.89656   0.00000   0.00003   0.00001   0.00003   1.89659
   A268       1.91383   0.00000   0.00001   0.00001   0.00002   1.91385
   A269       1.91138   0.00001  -0.00007   0.00000  -0.00007   1.91131
   A270       2.67011   0.00000   0.00014   0.00024   0.00037   2.67048
   A271       1.69317   0.00000  -0.00031  -0.00023  -0.00055   1.69263
   A272       1.92462   0.00000   0.00013   0.00009   0.00022   1.92485
   A273       1.91304   0.00000  -0.00026  -0.00001  -0.00027   1.91277
   A274       1.91347   0.00000   0.00009   0.00001   0.00009   1.91356
   A275       1.89444   0.00000  -0.00011  -0.00005  -0.00016   1.89428
   A276       1.91094   0.00000   0.00010  -0.00001   0.00009   1.91103
   A277       1.90713   0.00000   0.00005  -0.00003   0.00002   1.90715
   A278       1.80548   0.00004   0.00199   0.00064   0.00263   1.80811
   A279       1.75645  -0.00005  -0.00136  -0.00059  -0.00195   1.75450
   A280       2.18966   0.00001   0.00003   0.00000   0.00004   2.18970
   A281       2.13039   0.00001   0.00003   0.00003   0.00006   2.13045
   A282       1.96306  -0.00002  -0.00006  -0.00003  -0.00010   1.96296
   A283       2.12298   0.00000   0.00004  -0.00003   0.00001   2.12299
   A284       2.11510   0.00000  -0.00003  -0.00002  -0.00006   2.11504
   A285       2.04217   0.00001  -0.00008   0.00007  -0.00001   2.04216
   A286       2.69553   0.00000  -0.00082   0.00021  -0.00061   2.69492
   A287       1.66386   0.00000   0.00061  -0.00026   0.00034   1.66421
   A288       1.92628  -0.00001  -0.00005  -0.00010  -0.00015   1.92613
   A289       1.91525   0.00001   0.00026   0.00000   0.00026   1.91551
   A290       1.91240   0.00001   0.00010   0.00000   0.00010   1.91250
   A291       1.89110   0.00000  -0.00048   0.00004  -0.00043   1.89067
   A292       1.91230   0.00000   0.00006   0.00004   0.00010   1.91240
   A293       1.90628   0.00000   0.00011   0.00002   0.00013   1.90641
   A294       1.35055   0.00001   0.00063  -0.00076  -0.00013   1.35042
   A295       1.15348  -0.00001   0.00005   0.00036   0.00041   1.15389
   A296       1.93246   0.00001   0.00004   0.00010   0.00014   1.93260
   A297       1.90699   0.00000   0.00008   0.00002   0.00009   1.90708
   A298       1.90216  -0.00001   0.00004  -0.00012  -0.00007   1.90209
   A299       1.90937   0.00000  -0.00017   0.00001  -0.00015   1.90921
   A300       1.89828   0.00000  -0.00002   0.00006   0.00004   1.89832
   A301       1.91451   0.00000   0.00003  -0.00008  -0.00005   1.91447
   A302       1.64703   0.00002   0.00053  -0.00055  -0.00002   1.64701
   A303       1.80573  -0.00002  -0.00013   0.00011  -0.00002   1.80571
   A304       2.18941   0.00002  -0.00022   0.00018  -0.00004   2.18937
   A305       2.13008   0.00000   0.00015  -0.00012   0.00004   2.13012
   A306       1.96333  -0.00002   0.00007  -0.00007   0.00000   1.96334
   A307       2.12593  -0.00001   0.00006   0.00000   0.00006   2.12599
   A308       2.12329   0.00003   0.00025   0.00002   0.00027   2.12355
   A309       2.03072  -0.00002  -0.00021  -0.00009  -0.00029   2.03043
   A310       1.30884  -0.00002  -0.00194   0.00087  -0.00107   1.30778
   A311       3.04352  -0.00001   0.00142  -0.00138   0.00004   3.04356
   A312       1.91192  -0.00002   0.00011  -0.00002   0.00009   1.91201
   A313       1.92770   0.00000   0.00009   0.00013   0.00020   1.92790
   A314       1.90321   0.00001  -0.00062   0.00014  -0.00047   1.90274
   A315       1.91183   0.00003   0.00031   0.00006   0.00038   1.91221
   A316       1.91195  -0.00001   0.00018  -0.00011   0.00007   1.91202
   A317       1.89708  -0.00001  -0.00008  -0.00020  -0.00028   1.89681
   A318       1.78401   0.00002   0.00180   0.00060   0.00240   1.78641
   A319       1.91583   0.00000  -0.00013   0.00012   0.00000   1.91583
   A320       1.91416   0.00002   0.00026  -0.00008   0.00018   1.91434
   A321       1.92054  -0.00001  -0.00038  -0.00001  -0.00040   1.92014
   A322       1.90671   0.00000   0.00013   0.00008   0.00020   1.90692
   A323       1.91080  -0.00001   0.00008  -0.00011  -0.00003   1.91077
   A324       1.89561  -0.00001   0.00005  -0.00001   0.00004   1.89566
   A325       2.94132   0.00000  -0.00039  -0.00017  -0.00056   2.94077
   A326       3.36060   0.00000   0.00147   0.00022   0.00169   3.36228
   A327       3.07943   0.00000   0.00154   0.00020   0.00174   3.08117
   A328       3.20212  -0.00002  -0.00035  -0.00018  -0.00053   3.20159
   A329       3.27381  -0.00001  -0.00027  -0.00033  -0.00061   3.27320
   A330       3.25992   0.00000   0.00047  -0.00075  -0.00028   3.25963
   A331       3.69481   0.00001   0.00188   0.00050   0.00237   3.69718
   A332       3.21529   0.00000  -0.00026   0.00009  -0.00016   3.21512
   A333       2.97905  -0.00001  -0.00062   0.00019  -0.00043   2.97862
   A334       2.91175  -0.00001  -0.00073   0.00020  -0.00053   2.91122
   A335       3.23087   0.00001   0.00031   0.00004   0.00035   3.23122
   A336       3.07562   0.00000   0.00027   0.00002   0.00029   3.07591
   A337       3.10332  -0.00001   0.00028   0.00007   0.00035   3.10367
   A338       3.04493   0.00001   0.00085  -0.00014   0.00071   3.04563
    D1        2.75815   0.00000  -0.00027   0.00008  -0.00019   2.75796
    D2       -1.36084   0.00000  -0.00070   0.00003  -0.00067  -1.36151
    D3        2.78016   0.00000   0.00002   0.00000   0.00001   2.78017
    D4       -1.33883   0.00000  -0.00041  -0.00006  -0.00047  -1.33929
    D5        1.66250   0.00000   0.00015  -0.00010   0.00005   1.66255
    D6       -2.45648   0.00000  -0.00028  -0.00015  -0.00043  -2.45691
    D7        1.84272   0.00000   0.00028  -0.00013   0.00015   1.84287
    D8       -2.27626   0.00000  -0.00015  -0.00019  -0.00034  -2.27659
    D9        0.32277   0.00000  -0.00003  -0.00030  -0.00033   0.32244
   D10        2.48698   0.00000  -0.00046  -0.00036  -0.00081   2.48616
   D11        0.03467   0.00000   0.00015  -0.00011   0.00004   0.03471
   D12        2.19888   0.00000  -0.00028  -0.00017  -0.00044   2.19844
   D13       -0.43513   0.00000   0.00028  -0.00010   0.00018  -0.43495
   D14        1.72907   0.00000  -0.00015  -0.00015  -0.00030   1.72877
   D15       -0.55824   0.00000   0.00044   0.00007   0.00052  -0.55772
   D16        1.60596   0.00000   0.00002   0.00002   0.00004   1.60600
   D17        0.21329   0.00000   0.00018   0.00001   0.00019   0.21348
   D18        2.37750   0.00000  -0.00025  -0.00004  -0.00030   2.37720
   D19        0.14599   0.00000   0.00006   0.00002   0.00008   0.14608
   D20        2.31020   0.00000  -0.00036  -0.00003  -0.00040   2.30980
   D21        2.40345   0.00000  -0.00031  -0.00034  -0.00065   2.40280
   D22       -1.71553  -0.00001  -0.00073  -0.00039  -0.00113  -1.71666
   D23        2.16063  -0.00001  -0.00012  -0.00026  -0.00038   2.16025
   D24       -1.95835  -0.00001  -0.00055  -0.00031  -0.00086  -1.95921
   D25        1.71880   0.00000  -0.00039  -0.00034  -0.00073   1.71806
   D26       -2.40018  -0.00001  -0.00082  -0.00040  -0.00121  -2.40140
   D27        1.41249   0.00000  -0.00051  -0.00037  -0.00088   1.41162
   D28       -2.70649   0.00000  -0.00094  -0.00042  -0.00136  -2.70785
   D29        2.37139  -0.00001   0.00014  -0.00007   0.00007   2.37146
   D30       -1.74759  -0.00001  -0.00029  -0.00013  -0.00041  -1.74800
   D31       -1.75098  -0.00001   0.00036  -0.00003   0.00033  -1.75065
   D32        0.41322  -0.00001  -0.00007  -0.00008  -0.00015   0.41307
   D33       -2.10213   0.00001   0.00059   0.00003   0.00062  -2.10151
   D34        0.06208   0.00000   0.00017  -0.00003   0.00014   0.06221
   D35       -2.47605   0.00000   0.00056  -0.00012   0.00044  -2.47561
   D36       -0.31184   0.00000   0.00013  -0.00017  -0.00004  -0.31188
   D37       -2.76576   0.00001   0.00080  -0.00018   0.00061  -2.76514
   D38       -0.60155   0.00000   0.00037  -0.00024   0.00013  -0.60142
   D39       -2.12967   0.00000   0.00065   0.00022   0.00088  -2.12880
   D40        0.03453   0.00000   0.00022   0.00017   0.00039   0.03493
   D41       -2.37288   0.00000   0.00141   0.00052   0.00193  -2.37096
   D42       -0.20868   0.00000   0.00098   0.00047   0.00145  -0.20723
   D43        1.26396   0.00000  -0.00061   0.00027  -0.00034   1.26362
   D44       -1.92212   0.00000  -0.00189  -0.00026  -0.00215  -1.92428
   D45        2.45889   0.00000  -0.00026   0.00006  -0.00020   2.45869
   D46       -0.72720  -0.00001  -0.00154  -0.00046  -0.00201  -0.72920
   D47        2.94415   0.00000  -0.00015   0.00001  -0.00014   2.94402
   D48       -0.24194   0.00000  -0.00143  -0.00052  -0.00195  -0.24388
   D49        2.87365  -0.00001  -0.00077   0.00008  -0.00070   2.87295
   D50       -0.31244  -0.00001  -0.00206  -0.00045  -0.00251  -0.31495
   D51        2.05569  -0.00001  -0.00017  -0.00006  -0.00023   2.05546
   D52       -1.13040  -0.00001  -0.00145  -0.00059  -0.00204  -1.13244
   D53        1.16112   0.00000   0.00051  -0.00005   0.00046   1.16158
   D54       -2.02497   0.00000  -0.00077  -0.00058  -0.00135  -2.02632
   D55        1.01666   0.00001   0.00044   0.00033   0.00076   1.01742
   D56       -2.16943   0.00000  -0.00085  -0.00020  -0.00105  -2.17048
   D57        2.02638   0.00000  -0.00016   0.00019   0.00003   2.02641
   D58       -1.15971  -0.00001  -0.00144  -0.00034  -0.00178  -1.16149
   D59        1.82999   0.00000  -0.00025   0.00019  -0.00006   1.82993
   D60       -1.35610  -0.00001  -0.00153  -0.00033  -0.00187  -1.35797
   D61       -2.27390   0.00000  -0.00056  -0.00014  -0.00070  -2.27460
   D62        0.82319  -0.00001  -0.00184  -0.00067  -0.00251   0.82068
   D63       -2.40886   0.00000  -0.00041   0.00005  -0.00036  -2.40922
   D64        0.68824  -0.00001  -0.00169  -0.00048  -0.00217   0.68607
   D65       -2.81126   0.00000  -0.00054   0.00005  -0.00049  -2.81175
   D66        0.28583  -0.00001  -0.00182  -0.00048  -0.00230   0.28353
   D67       -2.98806   0.00000  -0.00067   0.00015  -0.00052  -2.98858
   D68        0.10903  -0.00001  -0.00195  -0.00038  -0.00233   0.10671
   D69       -2.13243  -0.00001  -0.00034   0.00021  -0.00013  -2.13256
   D70        0.96467  -0.00001  -0.00162  -0.00032  -0.00194   0.96273
   D71       -0.15927   0.00000  -0.00046   0.00015  -0.00031  -0.15957
   D72        2.93783  -0.00001  -0.00174  -0.00037  -0.00212   2.93571
   D73       -0.55755   0.00001  -0.00035   0.00009  -0.00025  -0.55780
   D74        2.53954   0.00000  -0.00163  -0.00043  -0.00206   2.53748
   D75       -0.72404   0.00000  -0.00044  -0.00012  -0.00056  -0.72460
   D76        2.37306  -0.00001  -0.00173  -0.00064  -0.00237   2.37069
   D77       -1.06172   0.00001  -0.00033  -0.00010  -0.00042  -1.06214
   D78        2.03538   0.00000  -0.00161  -0.00062  -0.00223   2.03315
   D79       -0.84331   0.00001  -0.00023   0.00023   0.00000  -0.84331
   D80        2.25378   0.00000  -0.00151  -0.00030  -0.00181   2.25197
   D81       -1.14626   0.00000  -0.00009   0.00028   0.00020  -1.14607
   D82        1.95083   0.00000  -0.00137  -0.00024  -0.00161   1.94922
   D83       -1.53092   0.00000  -0.00018   0.00003  -0.00015  -1.53107
   D84       -2.60669   0.00000  -0.00009  -0.00001  -0.00010  -2.60679
   D85       -2.94593  -0.00001   0.00007  -0.00002   0.00005  -2.94588
   D86        0.74169   0.00000  -0.00027  -0.00008  -0.00036   0.74133
   D87        0.31752   0.00000  -0.00015  -0.00005  -0.00020   0.31731
   D88       -0.05698  -0.00001  -0.00016  -0.00021  -0.00037  -0.05735
   D89       -0.39608  -0.00001   0.00003  -0.00006  -0.00003  -0.39611
   D90        0.18819   0.00000  -0.00007   0.00009   0.00003   0.18822
   D91       -0.05053   0.00000  -0.00008   0.00009   0.00001  -0.05052
   D92        2.40887  -0.00001  -0.00072  -0.00030  -0.00102   2.40784
   D93        2.06075  -0.00001  -0.00049  -0.00017  -0.00066   2.06009
   D94        1.66667  -0.00001  -0.00074  -0.00022  -0.00096   1.66572
   D95        1.37951   0.00000  -0.00074  -0.00016  -0.00089   1.37862
   D96        2.06388  -0.00001  -0.00021  -0.00001  -0.00023   2.06365
   D97       -1.89372  -0.00001  -0.00008   0.00013   0.00005  -1.89367
   D98       -2.43430   0.00001  -0.00010   0.00007  -0.00003  -2.43433
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   D100      -2.97654   0.00001  -0.00058  -0.00019  -0.00077  -2.97730
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   D320       0.24643  -0.00001  -0.00208  -0.00002  -0.00210   0.24432
   D321       2.31447  -0.00001  -0.00246   0.00018  -0.00228   2.31219
   D322      -0.56509   0.00000  -0.00126  -0.00027  -0.00153  -0.56662
   D323       1.50295   0.00000  -0.00164  -0.00006  -0.00170   1.50125
   D324      -0.61010   0.00000  -0.00195  -0.00052  -0.00247  -0.61257
   D325       1.45794   0.00000  -0.00233  -0.00031  -0.00265   1.45530
   D326       0.09584   0.00000  -0.00093  -0.00011  -0.00104   0.09480
   D327       2.26761   0.00000  -0.00062  -0.00039  -0.00101   2.26659
   D328       0.40009   0.00001  -0.00102  -0.00013  -0.00114   0.39894
   D329       2.57185   0.00001  -0.00071  -0.00041  -0.00112   2.57073
   D330       0.76756  -0.00001  -0.00117  -0.00007  -0.00124   0.76632
   D331       2.93932  -0.00001  -0.00086  -0.00036  -0.00121   2.93811
   D332       1.04767   0.00000  -0.00126  -0.00005  -0.00132   1.04635
   D333      -3.06376   0.00000  -0.00096  -0.00034  -0.00129  -3.06505
   D334       0.33413   0.00000  -0.00102  -0.00019  -0.00121   0.33292
   D335       2.50589   0.00000  -0.00071  -0.00047  -0.00118   2.50471
   D336       0.72647   0.00000  -0.00083  -0.00023  -0.00106   0.72541
   D337       2.89823  -0.00001  -0.00052  -0.00052  -0.00104   2.89719
   D338      -2.32069  -0.00001  -0.00101  -0.00007  -0.00108  -2.32177
   D339      -0.14892  -0.00001  -0.00070  -0.00035  -0.00105  -0.14998
   D340      -1.94445  -0.00001  -0.00109  -0.00004  -0.00114  -1.94559
   D341       0.22731  -0.00001  -0.00078  -0.00032  -0.00111   0.22620
   D342      -1.89638   0.00000  -0.00080   0.00012  -0.00068  -1.89706
   D343       0.27538   0.00000  -0.00049  -0.00016  -0.00065   0.27473
   D344      -1.59835   0.00000  -0.00069   0.00025  -0.00044  -1.59879
   D345       0.57341   0.00000  -0.00038  -0.00003  -0.00041   0.57300
   D346      -1.57606   0.00000  -0.00132  -0.00009  -0.00142  -1.57748
   D347       0.59570   0.00000  -0.00101  -0.00038  -0.00139   0.59431
   D348      -1.27572   0.00000  -0.00137  -0.00006  -0.00143  -1.27716
   D349       0.89604   0.00000  -0.00107  -0.00034  -0.00141   0.89463
   D350       1.86467   0.00000  -0.00029   0.00017  -0.00012   1.86455
   D351      -2.24675   0.00000   0.00002  -0.00012  -0.00010  -2.24685
   D352       2.30200   0.00000  -0.00008   0.00025   0.00017   2.30217
   D353      -1.80942   0.00000   0.00023  -0.00004   0.00019  -1.80923
   D354       2.56527   0.00000   0.00123   0.00069   0.00192   2.56719
   D355      -1.54616   0.00000   0.00154   0.00041   0.00195  -1.54421
   D356      -3.08859  -0.00001   0.00083   0.00059   0.00143  -3.08716
   D357      -0.91682  -0.00001   0.00114   0.00031   0.00145  -0.91537
   D358       2.61886   0.00000  -0.00067   0.00006  -0.00061   2.61825
   D359      -1.49256   0.00000  -0.00036  -0.00022  -0.00058  -1.49314
   D360       1.63859   0.00000  -0.00044   0.00039  -0.00005   1.63855
   D361      -2.47283   0.00000  -0.00013   0.00011  -0.00002  -2.47285
   D362       1.81122   0.00000   0.00028   0.00015   0.00043   1.81165
   D363      -2.30020   0.00000   0.00059  -0.00013   0.00046  -2.29975
   D364       2.75050   0.00001  -0.00060   0.00029  -0.00031   2.75019
   D365      -1.36092   0.00001  -0.00029   0.00001  -0.00028  -1.36121
   D366       2.75086   0.00001   0.00009   0.00047   0.00056   2.75142
   D367      -1.36056   0.00001   0.00040   0.00019   0.00058  -1.35998
   D368       0.06996   0.00000  -0.00107   0.00028  -0.00079   0.06917
   D369      -2.44742   0.00000   0.00697   0.00333   0.01029  -2.43712
   D370       0.46944   0.00000  -0.00108   0.00025  -0.00083   0.46861
   D371      -2.04794   0.00001   0.00696   0.00330   0.01025  -2.03769
   D372       0.68271  -0.00001  -0.00122   0.00018  -0.00104   0.68167
   D373      -1.83467  -0.00001   0.00682   0.00323   0.01004  -1.82463
   D374       0.95416   0.00000  -0.00160   0.00017  -0.00143   0.95273
   D375      -1.56322   0.00000   0.00644   0.00321   0.00965  -1.55357
   D376       0.71084  -0.00001  -0.00110   0.00031  -0.00079   0.71005
   D377      -1.80654  -0.00001   0.00693   0.00335   0.01029  -1.79625
   D378       1.05203  -0.00001  -0.00114   0.00033  -0.00081   1.05122
   D379      -1.46535   0.00000   0.00689   0.00338   0.01027  -1.45507
   D380      -2.73981   0.00000  -0.00083   0.00032  -0.00051  -2.74033
   D381       1.02599   0.00000   0.00721   0.00336   0.01057   1.03656
   D382      -2.19179   0.00000  -0.00154   0.00006  -0.00147  -2.19326
   D383       1.57402   0.00000   0.00650   0.00311   0.00961   1.58363
   D384      -1.95576   0.00000  -0.00133   0.00036  -0.00097  -1.95673
   D385       1.81004   0.00000   0.00670   0.00341   0.01012   1.82016
   D386      -1.62796   0.00000  -0.00134   0.00048  -0.00086  -1.62882
   D387       2.13784   0.00000   0.00670   0.00353   0.01022   2.14807
   D388      -1.68677  -0.00001  -0.00280  -0.00042  -0.00322  -1.68999
   D389       2.07904   0.00000   0.00523   0.00263   0.00786   2.08690
   D390      -1.11528   0.00000  -0.00294  -0.00007  -0.00301  -1.11829
   D391       2.65053   0.00000   0.00509   0.00298   0.00807   2.65859
   D392       1.80316   0.00001  -0.00106   0.00040  -0.00066   1.80250
   D393      -0.71421   0.00001   0.00698   0.00344   0.01042  -0.70379
   D394       2.10560   0.00001  -0.00082   0.00049  -0.00033   2.10527
   D395      -0.41177   0.00001   0.00721   0.00354   0.01075  -0.40102
   D396       2.05828   0.00001  -0.00017   0.00074   0.00057   2.05885
   D397      -0.45910   0.00001   0.00786   0.00378   0.01165  -0.44745
   D398       2.26440   0.00001   0.00033   0.00104   0.00138   2.26577
   D399      -0.25298   0.00001   0.00837   0.00409   0.01246  -0.24052
   D400       2.50388   0.00000  -0.00108   0.00042  -0.00066   2.50322
   D401      -0.01350   0.00000   0.00696   0.00347   0.01042  -0.00307
   D402      -1.53377   0.00001  -0.00110   0.00063  -0.00047  -1.53424
   D403       2.23203   0.00001   0.00693   0.00368   0.01061   2.24264
   D404      -2.63099   0.00000  -0.00091   0.00069  -0.00022  -2.63122
   D405       1.13481   0.00000   0.00712   0.00373   0.01086   1.14567
   D406      -2.98004   0.00000  -0.00039   0.00081   0.00042  -2.97962
   D407       0.78577   0.00000   0.00764   0.00386   0.01150   0.79727
   D408       1.92002   0.00000  -0.00119  -0.00064  -0.00183   1.91819
   D409       2.41797   0.00000  -0.00105  -0.00062  -0.00167   2.41630
   D410       2.64714  -0.00001  -0.00098  -0.00053  -0.00150   2.64564
   D411       2.87983   0.00000  -0.00113  -0.00046  -0.00159   2.87823
   D412       2.85106  -0.00002  -0.00091  -0.00061  -0.00152   2.84953
   D413      -2.93729  -0.00001  -0.00088  -0.00034  -0.00122  -2.93851
   D414      -0.74979   0.00000  -0.00081  -0.00034  -0.00114  -0.75094
   D415      -0.36969   0.00000  -0.00096  -0.00040  -0.00136  -0.37105
   D416      -0.05831   0.00000  -0.00093  -0.00027  -0.00120  -0.05951
   D417       0.24999   0.00000  -0.00104  -0.00029  -0.00132   0.24867
   D418      -0.23766   0.00000  -0.00110  -0.00052  -0.00163  -0.23929
   D419       0.07218   0.00000  -0.00129  -0.00057  -0.00185   0.07032
   D420      -2.55846   0.00001  -0.00047  -0.00016  -0.00063  -2.55909
   D421      -2.17665   0.00001  -0.00058  -0.00021  -0.00079  -2.17744
   D422      -1.93004   0.00001  -0.00005   0.00000  -0.00004  -1.93008
   D423      -1.61621   0.00000   0.00005   0.00006   0.00010  -1.61610
   D424      -1.96493   0.00000  -0.00104  -0.00044  -0.00147  -1.96641
   D425       1.30722   0.00001  -0.00094  -0.00020  -0.00115   1.30607
   D426       2.47197   0.00000  -0.00080  -0.00003  -0.00083   2.47114
   D427       2.94650  -0.00001  -0.00036  -0.00013  -0.00049   2.94601
   D428      -3.07344  -0.00001   0.00032  -0.00006   0.00027  -3.07318
   D429       0.02988  -0.00001  -0.00141  -0.00013  -0.00154   0.02835
   D430       0.03948  -0.00001   0.00033  -0.00047  -0.00014   0.03933
   D431      -3.14039  -0.00001  -0.00140  -0.00054  -0.00194   3.14086
   D432      -0.07860  -0.00001  -0.00253   0.00019  -0.00234  -0.08094
   D433       2.02053   0.00000  -0.00209   0.00013  -0.00195   2.01857
   D434      -2.17547   0.00000  -0.00269   0.00025  -0.00244  -2.17791
   D435       3.09928  -0.00002  -0.00090   0.00026  -0.00063   3.09865
   D436      -1.08478   0.00000  -0.00045   0.00021  -0.00024  -1.08503
   D437       1.00241   0.00000  -0.00105   0.00032  -0.00073   1.00168
   D438      -2.36475   0.00000   0.00157  -0.00044   0.00113  -2.36362
   D439      -0.27378  -0.00002   0.00159  -0.00058   0.00102  -0.27276
   D440       1.83339  -0.00001   0.00166  -0.00055   0.00111   1.83450
   D441       0.74049   0.00000  -0.00007  -0.00051  -0.00058   0.73991
   D442       2.83146  -0.00002  -0.00004  -0.00065  -0.00069   2.83077
   D443      -1.34455   0.00000   0.00002  -0.00062  -0.00060  -1.34516
   D444      -0.00039   0.00001  -0.00089  -0.00011  -0.00100  -0.00139
   D445       3.11341   0.00001  -0.00047   0.00000  -0.00047   3.11294
   D446      -3.12015  -0.00001  -0.00104  -0.00007  -0.00111  -3.12126
   D447      -0.00635  -0.00001  -0.00062   0.00004  -0.00058  -0.00693
   D448       2.41289   0.00001   0.00089   0.00052   0.00142   2.41430
   D449      -1.78652   0.00001   0.00086   0.00051   0.00137  -1.78516
   D450       0.32070   0.00001   0.00083   0.00054   0.00137   0.32208
   D451      -0.70224   0.00000   0.00049   0.00042   0.00091  -0.70134
   D452       1.38153   0.00001   0.00045   0.00040   0.00086   1.38239
   D453      -2.79442   0.00001   0.00042   0.00044   0.00086  -2.79357
   D454       2.05877   0.00000  -0.00035  -0.00048  -0.00083   2.05793
   D455      -2.13983   0.00000  -0.00057  -0.00049  -0.00106  -2.14089
   D456      -0.04650   0.00000  -0.00062  -0.00053  -0.00115  -0.04765
   D457      -1.10924   0.00000   0.00005  -0.00037  -0.00032  -1.10957
   D458       0.97535   0.00000  -0.00017  -0.00038  -0.00055   0.97480
   D459       3.06867   0.00000  -0.00022  -0.00042  -0.00064   3.06804
   D460      -3.08709   0.00004   0.00186   0.00053   0.00239  -3.08470
   D461      -0.03032   0.00004   0.00089   0.00073   0.00162  -0.02870
   D462       0.06718   0.00004   0.00170   0.00064   0.00234   0.06952
   D463       3.12396   0.00004   0.00073   0.00083   0.00157   3.12552
   D464       1.93653   0.00000   0.00029  -0.00040  -0.00011   1.93642
   D465      -2.26376   0.00000  -0.00016  -0.00042  -0.00058  -2.26434
   D466      -0.17078   0.00000   0.00019  -0.00039  -0.00020  -0.17098
   D467      -1.12363   0.00000   0.00122  -0.00059   0.00063  -1.12299
   D468       0.95926   0.00000   0.00077  -0.00060   0.00017   0.95943
   D469       3.05224   0.00000   0.00112  -0.00057   0.00055   3.05279
   D470      -1.63774   0.00000   0.00105   0.00097   0.00202  -1.63572
   D471       0.46635   0.00000   0.00092   0.00106   0.00198   0.46832
   D472       2.55814   0.00000   0.00103   0.00090   0.00193   2.56007
   D473       1.42281   0.00000   0.00013   0.00115   0.00128   1.42409
   D474      -2.75629   0.00000   0.00000   0.00124   0.00124  -2.75505
   D475      -0.66450   0.00000   0.00011   0.00109   0.00119  -0.66330
   D476       0.00715  -0.00002  -0.00080  -0.00022  -0.00102   0.00613
   D477      -3.04481  -0.00002  -0.00211   0.00066  -0.00145  -3.04626
   D478       3.12026  -0.00001  -0.00047  -0.00046  -0.00093   3.11932
   D479       0.06830  -0.00001  -0.00178   0.00042  -0.00136   0.06693
   D480      -0.30220  -0.00002  -0.00239   0.00199  -0.00040  -0.30260
   D481       1.80512   0.00001  -0.00188   0.00213   0.00026   1.80538
   D482      -2.39447   0.00000  -0.00230   0.00205  -0.00025  -2.39472
   D483       2.75426  -0.00002  -0.00112   0.00116   0.00003   2.75429
   D484      -1.42160   0.00001  -0.00061   0.00130   0.00069  -1.42091
   D485       0.66199   0.00000  -0.00104   0.00122   0.00018   0.66217
   D486      -0.09158  -0.00001  -0.00071  -0.00104  -0.00175  -0.09333
   D487       2.00338   0.00000  -0.00047  -0.00091  -0.00139   2.00200
   D488      -2.19558   0.00000  -0.00049  -0.00097  -0.00146  -2.19705
   D489       3.13501  -0.00001  -0.00197  -0.00020  -0.00217   3.13284
   D490      -1.05322   0.00000  -0.00173  -0.00008  -0.00181  -1.05503
   D491       1.03100   0.00000  -0.00175  -0.00014  -0.00189   1.02912
         Item               Value     Threshold  Converged?
 Maximum Force            0.000150     0.000450     YES
 RMS     Force            0.000011     0.000300     YES
 Maximum Displacement     0.011647     0.001800     NO 
 RMS     Displacement     0.001032     0.001200     YES
 Predicted change in Energy=-1.170178D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 03:57:45 2016, MaxMem=  2952790016 cpu:         7.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.827841   -0.588592    1.667364
      2          6           0       -2.068993    1.118232   -1.366463
      3          8           0       -2.621715    0.139611   -1.898309
      4          7           0       -0.776495    1.161962   -0.943082
      5          1           0       -2.614708    2.060921   -1.160913
      6          6           0       -0.233623    2.330938   -0.250267
      7          1           0       -0.988675    3.128866   -0.224347
      8          1           0        0.046971    2.057931    0.779790
      9          1           0        0.663398    2.694149   -0.777949
     10          6           0        0.131390    0.024725   -1.111657
     11          1           0        0.693587   -0.129004   -0.177298
     12          1           0       -0.451951   -0.876433   -1.341531
     13          1           0        0.846848    0.220550   -1.927345
     14          6           0       -2.003971   -3.999681    2.616877
     15          8           0       -2.123464   -3.846467    3.844506
     16          7           0       -2.946706   -3.690868    1.685278
     17          1           0       -1.074597   -4.396395    2.161978
     18          6           0       -4.245681   -3.126688    2.059711
     19          1           0       -4.507322   -2.327903    1.347609
     20          1           0       -5.030060   -3.901172    2.025214
     21          1           0       -4.184682   -2.711686    3.073955
     22          6           0       -2.700691   -3.874620    0.254726
     23          1           0       -3.410653   -4.606526   -0.164265
     24          1           0       -2.836497   -2.914618   -0.270071
     25          1           0       -1.672684   -4.230580    0.099485
     26          6           0        1.556918    0.379789    2.609681
     27          8           0        1.387612    1.398801    3.300512
     28          7           0        1.173856   -0.879923    2.953752
     29          1           0        2.041102    0.418010    1.613955
     30          6           0        1.477982   -2.033163    2.105996
     31          1           0        2.222530   -2.683439    2.595332
     32          1           0        0.562288   -2.621978    1.935777
     33          1           0        1.870173   -1.686748    1.140053
     34          6           0        0.531406   -1.152230    4.242121
     35          1           0        1.279124   -1.454233    4.995323
     36          1           0        0.012264   -0.248660    4.586040
     37          1           0       -0.192735   -1.969834    4.114953
     38          6           0       -4.607401    1.097474    2.911593
     39          8           0       -4.856576    1.673723    1.838835
     40          7           0       -3.534715    1.347452    3.711186
     41          1           0       -5.248681    0.282998    3.304632
     42          6           0       -2.537705    2.366154    3.370197
     43          1           0       -2.623326    2.622311    2.306138
     44          1           0       -2.687444    3.271697    3.981105
     45          1           0       -1.532459    1.966293    3.573076
     46          6           0       -3.256897    0.539183    4.898953
     47          1           0       -4.072627   -0.179174    5.058700
     48          1           0       -2.309893   -0.010177    4.761485
     49          1           0       -3.161211    1.189152    5.783505
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489343   0.000000
     3  O    3.724855   1.243408   0.000000
     4  N    3.314242   1.360778   2.315708   0.000000
     5  H    3.954521   1.108476   2.057970   2.057816   0.000000
     6  C    3.839596   2.466806   3.636062   1.463286   2.563543
     7  H    4.254676   2.552286   3.795342   2.104831   2.159085
     8  H    3.362558   3.157014   4.239582   2.109299   3.294066
     9  H    4.791891   3.208710   4.309622   2.109065   3.360598
    10  C    3.455099   2.470297   2.865591   1.464917   3.419003
    11  H    3.157784   3.256003   3.745032   2.100990   4.087553
    12  H    3.321050   2.567905   2.459721   2.102177   3.652150
    13  H    4.553088   3.102024   3.469630   2.119027   3.994592
    14  C    3.545155   6.485697   6.156481   6.389254   7.167678
    15  O    3.929515   7.197597   7.008352   7.058307   7.758401
    16  N    3.297923   5.762894   5.255500   5.930266   6.426049
    17  H    3.912976   6.621921   6.281310   6.373822   7.423644
    18  C    3.527296   5.873329   5.382555   6.280489   6.320110
    19  H    3.210461   5.018713   4.492229   5.598705   5.397819
    20  H    4.621195   6.742834   6.125527   7.248374   7.178571
    21  H    3.469975   6.233917   5.941058   6.538920   6.570898
    22  C    3.681765   5.287331   4.555859   5.523083   6.102629
    23  H    4.690837   6.001515   5.114210   6.389116   6.788349
    24  H    3.190836   4.249119   3.467795   4.616823   5.059523
    25  H    3.968173   5.560203   4.898001   5.565035   6.485291
    26  C    3.644491   5.431597   6.151475   4.321890   5.869076
    27  O    4.117772   5.814421   6.684910   4.769438   6.030032
    28  N    3.278696   5.759596   6.244062   4.812326   6.319197
    29  H    3.998102   5.125044   5.844259   3.876951   5.663534
    30  C    3.634232   5.879650   6.128860   4.958665   6.647129
    31  H    4.653494   6.968909   7.185342   6.025084   7.747077
    32  H    3.149511   5.640709   5.697760   4.939471   6.450763
    33  H    3.893496   5.446793   5.722263   4.411287   6.281212
    34  C    3.537387   6.585840   7.022529   5.826871   7.029592
    35  H    4.634422   7.635429   8.079545   6.806959   8.088107
    36  H    3.467017   6.452311   7.009664   5.760484   6.727750
    37  H    3.251475   6.565243   6.819753   5.977678   7.067369
    38  C    3.480931   4.974506   5.291088   5.434935   4.635122
    39  O    3.784271   4.284055   4.616747   4.964677   3.764888
    40  N    3.292247   5.289934   5.810240   5.413354   5.009272
    41  H    3.891332   5.712019   5.830275   6.230257   5.480868
    42  C    3.483400   4.920665   5.720290   4.812101   4.542032
    43  H    3.369084   4.007186   4.882744   4.012585   3.512218
    44  H    4.581937   5.797963   6.661966   5.687734   5.283144
    45  H    3.201004   5.040448   5.870205   4.649097   4.857043
    46  C    3.709076   6.403269   6.838559   6.377274   6.280929
    47  H    4.087523   6.854234   7.113842   6.977429   6.769574
    48  H    3.184418   6.235630   6.668772   6.022233   6.281493
    49  H    4.677699   7.233258   7.771928   7.136847   7.020227
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098848   0.000000
     8  H    1.101945   1.796595   0.000000
     9  H    1.102277   1.795773   1.792011   0.000000
    10  C    2.488744   3.417244   2.778241   2.742301   0.000000
    11  H    2.629897   3.666871   2.473219   2.886500   1.101238
    12  H    3.394960   4.192684   3.655054   3.782947   1.097823
    13  H    2.904091   3.837663   3.368138   2.733763   1.102531
    14  C    7.171568   7.740773   6.654016   7.965366   5.887069
    15  O    7.648464   8.154667   6.997514   8.480174   6.680872
    16  N    6.882536   7.347743   6.544517   7.737491   5.577020
    17  H    7.196053   7.895030   6.695274   7.870172   5.631821
    18  C    7.156696   7.413297   6.851667   8.126101   6.256816
    19  H    6.520929   6.680438   6.348192   7.515008   5.753303
    20  H    8.186747   8.415150   7.927057   9.152674   7.203693
    21  H    7.217297   7.430027   6.776380   8.219738   6.605738
    22  C    6.697044   7.225603   6.559002   7.451996   5.009250
    23  H    7.630814   8.105916   7.567125   8.382979   5.906954
    24  H    5.855869   6.319829   5.843187   6.630646   4.261027
    25  H    6.726570   7.398256   6.554800   7.360641   4.777988
    26  C    3.897733   4.697785   2.905960   4.198890   4.000820
    27  O    4.013143   4.589608   2.930156   4.340075   4.788885
    28  N    4.749354   5.554030   3.824522   5.192316   4.293330
    29  H    3.508416   4.461798   2.713250   3.577719   3.351213
    30  C    5.246612   6.177494   4.532512   5.597156   4.049877
    31  H    6.266905   7.214244   5.523571   6.536694   5.044679
    32  H    5.472078   6.335916   4.848031   5.969567   4.059257
    33  H    4.743495   5.764091   4.180488   4.932271   3.320046
    34  C    5.735790   6.370853   4.746320   6.325596   5.496197
    35  H    6.643202   7.307028   5.623541   7.135745   6.387474
    36  H    5.486771   5.962330   4.450743   6.152761   5.705496
    37  H    6.128088   6.742387   5.234851   6.813676   5.603640
    38  C    5.536130   5.201524   5.208670   6.628983   6.308207
    39  O    5.115464   4.618962   5.031298   6.193459   6.025314
    40  N    5.249530   5.014397   4.682557   6.292065   6.200786
    41  H    6.479366   6.220957   6.129368   7.578509   6.965306
    42  C    4.291596   3.987727   3.672297   5.249929   5.717812
    43  H    3.511523   3.054838   3.127100   4.507695   5.100710
    44  H    4.981042   4.537845   4.381629   5.848956   6.665199
    45  H    4.054367   4.008453   3.210210   4.927776   5.337116
    46  C    6.234183   6.172478   5.494511   7.227711   6.919002
    47  H    7.015963   6.954456   6.347030   8.046886   7.469179
    48  H    5.908415   6.038023   5.068113   6.843914   6.360415
    49  H    6.803004   6.676578   6.007028   7.742437   7.729190
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796203   0.000000
    13  H    1.791185   1.798174   0.000000
    14  C    5.483282   5.275645   6.825502   0.000000
    15  O    6.158751   6.205645   7.660134   1.242911   0.000000
    16  N    5.422895   4.827672   6.537682   1.360879   2.316075
    17  H    5.177771   5.005237   6.459931   1.108174   2.057533
    18  C    6.195699   5.569962   7.282478   2.469376   2.864853
    19  H    5.848927   5.077821   6.774000   3.266902   3.771380
    20  H    7.200031   6.437631   8.194472   3.084961   3.429449
    21  H    6.406122   6.066131   7.676413   2.573588   2.475904
    22  C    5.073205   4.073572   5.840967   2.465931   3.636001
    23  H    6.073973   4.904432   6.673487   3.175179   4.278410
    24  H    4.497748   3.314857   5.113009   3.194516   4.278610
    25  H    4.743287   3.849288   5.501695   2.549574   3.791560
    26  C    2.961666   4.607139   4.595016   5.644444   5.738575
    27  O    3.861479   5.487189   5.386204   6.412005   6.335332
    28  N    3.255459   4.592681   5.014288   4.465978   4.523953
    29  H    2.307294   4.077473   3.742464   6.073259   6.364333
    30  C    3.074822   4.116807   4.663196   4.031401   4.391002
    31  H    4.068204   5.090874   5.547996   4.426767   4.669125
    32  H    3.270664   3.849201   4.804649   2.991262   3.515094
    33  H    2.355066   3.493869   3.754186   4.747595   5.284656
    34  C    4.539225   5.676286   6.328218   4.144579   3.803333
    35  H    5.371694   6.594406   7.135482   4.786964   4.315642
    36  H    4.813305   5.978770   6.583379   4.691798   4.249167
    37  H    4.753697   5.570990   6.510598   3.105654   2.706032
    38  C    6.256674   6.265232   7.343920   5.731117   5.610956
    39  O    6.174052   6.001562   6.987480   6.397673   6.478049
    40  N    5.931169   6.322899   7.229180   5.668556   5.383883
    41  H    6.899575   6.777885   8.033241   5.416872   5.206816
    42  C    5.408492   6.088113   6.642498   6.432436   6.244456
    43  H    4.973842   5.501052   5.977705   6.658149   6.667948
    44  H    6.347318   7.108787   7.530637   7.429751   7.141778
    45  H    4.838477   5.779442   6.242063   6.060486   5.849029
    46  C    6.466925   6.986796   7.971236   5.232493   4.650855
    47  H    7.080606   7.386367   8.553703   4.983785   4.326955
    48  H    5.781573   6.438101   7.399912   4.539722   3.948763
    49  H    7.219985   7.897650   8.744138   6.187950   5.494915
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056649   0.000000
    18  C    1.464867   3.417366   0.000000
    19  H    2.099337   4.089677   1.101636   0.000000
    20  H    2.121355   3.988689   1.102844   1.790971   0.000000
    21  H    2.102333   3.652749   1.097560   1.797680   1.797052
    22  C    1.463136   2.560086   2.490857   2.617373   2.925969
    23  H    2.115298   3.303440   2.798797   2.946281   2.813152
    24  H    2.106680   3.348854   2.731055   2.398496   3.324657
    25  H    2.104557   2.153853   3.417803   3.634992   3.884445
    26  C    6.140635   5.471494   6.802059   6.760135   7.877596
    27  O    6.877502   6.398675   7.331687   7.242403   8.420369
    28  N    5.146792   4.248297   5.934530   6.078826   6.962665
    29  H    6.462677   5.760765   7.230991   7.105831   8.296132
    30  C    4.743717   3.479032   5.827371   6.040354   6.771307
    31  H    5.344540   3.740730   6.505468   6.853767   7.376176
    32  H    3.676726   2.424689   4.835975   5.112080   5.737481
    33  H    5.245578   4.130156   6.350029   6.413002   7.300712
    34  C    5.007933   4.175027   5.610879   5.928675   6.587964
    35  H    5.815202   4.714251   6.475986   6.895801   7.390187
    36  H    5.386902   4.925550   5.726734   5.936104   6.732288
    37  H    4.055815   3.237281   4.689212   5.138294   5.612200
    38  C    5.214400   6.574589   4.324360   3.766864   5.094189
    39  O    5.696492   7.159198   4.844164   4.046763   5.580706
    40  N    5.462117   6.437702   4.821905   4.476683   5.711971
    41  H    4.869600   6.373803   3.765873   3.346096   4.380866
    42  C    6.300298   7.023714   5.899650   5.477629   6.877513
    43  H    6.351871   7.188990   5.978608   5.382642   6.958959
    44  H    7.335894   8.044261   6.859970   6.450021   7.795088
    45  H    6.129220   6.533348   5.965761   5.678259   7.004015
    46  C    5.321396   6.050900   4.741055   4.732418   5.578461
    47  H    4.997966   5.929935   4.208530   4.310242   4.896119
    48  H    4.839015   5.246170   4.556260   4.674943   5.479629
    49  H    6.376211   6.976227   5.802516   5.818837   6.597632
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391562   0.000000
    23  H    3.830876   1.102399   0.000000
    24  H    3.611273   1.102479   1.789805   0.000000
    25  H    4.179072   1.098911   1.797619   1.795213   0.000000
    26  C    6.537487   6.463207   7.565373   6.200660   6.163353
    27  O    6.928052   7.334849   8.431606   7.014110   7.162536
    28  N    5.664251   5.591518   6.680368   5.533168   5.241806
    29  H    7.119479   6.539020   7.624281   6.200559   6.139643
    30  C    5.784730   4.927420   5.972858   5.003737   4.333754
    31  H    6.425126   5.579915   6.560974   5.818739   4.878072
    32  H    4.882338   3.878411   4.912521   4.062406   3.309784
    33  H    6.438303   5.144257   6.173610   5.064469   4.483937
    34  C    5.102745   5.810093   6.847498   5.899886   5.612102
    35  H    5.926721   6.646086   7.651948   6.840719   6.355352
    36  H    5.095807   6.266418   7.298818   6.229332   6.230883
    37  H    4.191619   4.981908   5.968152   5.206777   4.839959
    38  C    3.835981   5.951152   6.590047   5.418115   6.701393
    39  O    4.605298   6.159655   6.748676   5.438849   6.929884
    40  N    4.159942   6.317654   7.105235   5.873939   6.901158
    41  H    3.186446   5.751519   6.270490   5.368602   6.590380
    42  C    5.346471   6.977105   7.865922   6.420855   7.413685
    43  H    5.610606   6.813545   7.679769   6.110636   7.261897
    44  H    6.234221   8.059524   8.931602   7.507676   8.507694
    45  H    5.400638   6.818539   7.790845   6.347722   7.105401
    46  C    3.841816   6.431163   7.220674   6.230914   6.949479
    47  H    3.219532   6.214233   6.878882   6.116083   6.838671
    48  H    3.696045   5.949581   6.826500   5.833493   6.320766
    49  H    4.858569   7.511409   8.308313   7.320666   7.993578
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242697   0.000000
    28  N    1.360881   2.314847   0.000000
    29  H    1.107866   2.057541   2.057135   0.000000
    30  C    2.466226   3.635026   1.463265   2.562705   0.000000
    31  H    3.134743   4.225997   2.116803   3.258068   1.103024
    32  H    3.233271   4.325544   2.108328   3.395878   1.101895
    33  H    2.555096   3.797508   2.103647   2.164211   1.098573
    34  C    2.462442   2.850873   1.465192   3.413517   2.497014
    35  H    3.021935   3.320234   2.123423   3.939487   2.953458
    36  H    2.585904   2.501658   2.100512   3.659771   3.388716
    37  H    3.293609   3.809005   2.098538   4.116652   2.613658
    38  C    6.213296   6.015168   6.110221   6.807946   6.890701
    39  O    6.587971   6.418876   6.643060   7.014652   7.344317
    40  N    5.298529   4.939696   5.263605   6.029260   6.255583
    41  H    6.841674   6.729445   6.536397   7.484488   7.214522
    42  C    4.614105   4.043359   4.948346   5.276848   6.089165
    43  H    4.753471   4.309685   5.206115   5.205281   6.207594
    44  H    5.315876   4.536191   5.762034   6.008832   7.000595
    45  H    3.604077   2.987166   3.976009   4.359550   5.216390
    46  C    5.332821   4.986524   5.042741   6.234957   6.069320
    47  H    6.164568   5.949407   5.696265   7.042767   6.554768
    48  H    4.442359   4.217962   4.020057   5.387155   5.048968
    49  H    5.743602   5.186618   5.575067   6.711473   6.740140
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787510   0.000000
    33  H    1.798718   1.793988   0.000000
    34  C    2.813612   2.735020   3.420648   0.000000
    35  H    2.856733   3.352358   3.907239   1.103449   0.000000
    36  H    3.844001   3.599869   4.170701   1.097373   1.796066
    37  H    2.941425   2.396697   3.631219   1.099558   1.790884
    38  C    7.813020   6.442998   7.269746   5.765311   6.745688
    39  O    8.346908   6.915672   7.551835   6.541571   7.575904
    40  N    7.116114   5.974435   6.710433   4.802462   5.715897
    41  H    8.069811   6.639278   7.696973   6.028945   6.963379
    42  C    6.982739   6.045575   6.389754   4.749603   5.639554
    43  H    7.191449   6.147184   6.333978   5.286542   6.251323
    44  H    7.841674   7.034168   7.309557   5.477249   6.252736
    45  H    6.056066   5.302918   5.553577   3.798994   4.650568
    46  C    6.761366   5.775770   6.735796   4.200422   4.955650
    47  H    7.208919   6.099375   7.276362   4.776061   5.501911
    48  H    5.690466   4.801619   5.779153   3.105963   3.875695
    49  H    7.358401   6.572227   7.426121   4.636093   5.227359
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796215   0.000000
    38  C    5.094816   5.508696   0.000000
    39  O    5.911708   6.340949   1.242964   0.000000
    40  N    3.986728   4.726124   1.361064   2.315053   0.000000
    41  H    5.440792   5.594146   1.108643   2.058257   2.058162
    42  C    3.849399   4.985413   2.470528   2.863859   1.465625
    43  H    4.515170   5.501580   2.574540   2.470950   2.104770
    44  H    4.477419   5.806474   3.091494   3.442088   2.119774
    45  H    2.884144   4.193041   3.263077   3.760709   2.100254
    46  C    3.377280   4.037191   2.466810   3.634622   1.463308
    47  H    4.112732   4.376150   2.554580   3.796752   2.106116
    48  H    2.340954   2.956454   3.150799   4.226463   2.108665
    49  H    3.684042   4.644902   3.216792   4.320821   2.111651
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419536   0.000000
    43  H    3.655388   1.097801   0.000000
    44  H    3.993729   1.102559   1.797589   0.000000
    45  H    4.088502   1.100713   1.795962   1.790127   0.000000
    46  C    2.564117   2.488404   3.385782   2.938257   2.601592
    47  H    2.161819   3.418438   4.186333   3.871492   3.641779
    48  H    3.293152   2.763065   3.613441   3.394441   2.433752
    49  H    3.365035   2.756475   3.799388   2.794655   2.853556
                   46         47         48         49
    46  C    0.000000
    47  H    1.098622   0.000000
    48  H    1.103408   1.795586   0.000000
    49  H    1.101839   1.796757   1.790994   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144371      0.1944706      0.1848643
 Leave Link  202 at Mon Nov 14 03:57:46 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.3224836563 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843116973 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.1381719590 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4033
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.19D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.41%
 GePol: Cavity surface area                          =    467.578 Ang**2
 GePol: Cavity volume                                =    458.227 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0039975877 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.1341743713 Hartrees.
 Leave Link  301 at Mon Nov 14 03:57:46 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37496.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 03:57:47 2016, MaxMem=  2952790016 cpu:        14.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 03:57:47 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000394    0.000401   -0.000402
         Rot=    1.000000   -0.000011   -0.000034    0.000026 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 03:57:48 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48795267.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.33D-15 for   2318.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.70D-15 for   2333    135.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.33D-15 for   3658.
 Iteration    1 A^-1*A deviation from orthogonality  is 7.80D-07 for   2457   2456.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.22D-14 for     41.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.83D-14 for   2333    135.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2876.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.14D-15 for   2328    127.
 E= -1013.45139752041    
 DIIS: error= 7.18D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45139752041     IErMin= 1 ErrMin= 7.18D-05
 ErrMax= 7.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.33D-06 BMatP= 8.33D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.73D-05 MaxDP=8.17D-04              OVMax= 1.11D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.73D-05    CP:  1.00D+00
 E= -1013.45141169376     Delta-E=       -0.000014173347 Rises=F Damp=F
 DIIS: error= 1.58D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141169376     IErMin= 2 ErrMin= 1.58D-05
 ErrMax= 1.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-07 BMatP= 8.33D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.300D-01 0.970D+00
 Coeff:      0.300D-01 0.970D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.10D-06 MaxDP=2.55D-04 DE=-1.42D-05 OVMax= 3.87D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.00D-06    CP:  1.00D+00  9.49D-01
 E= -1013.45141105439     Delta-E=        0.000000639371 Rises=F Damp=F
 DIIS: error= 4.38D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141169376     IErMin= 2 ErrMin= 1.58D-05
 ErrMax= 4.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.87D-07 BMatP= 2.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.440D-02 0.691D+00 0.304D+00
 Coeff:      0.440D-02 0.691D+00 0.304D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.93D-06 MaxDP=2.25D-04 DE= 6.39D-07 OVMax= 3.57D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.38D-06    CP:  1.00D+00  9.67D-01  3.61D-01
 E= -1013.45141185289     Delta-E=       -0.000000798499 Rises=F Damp=F
 DIIS: error= 8.82D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141185289     IErMin= 4 ErrMin= 8.82D-06
 ErrMax= 8.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.43D-08 BMatP= 2.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.389D-04 0.256D+00 0.202D+00 0.543D+00
 Coeff:      0.389D-04 0.256D+00 0.202D+00 0.543D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.00D-07 MaxDP=4.03D-05 DE=-7.98D-07 OVMax= 6.93D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.65D-07    CP:  1.00D+00  9.72D-01  3.93D-01  5.46D-01
 E= -1013.45141189689     Delta-E=       -0.000000044008 Rises=F Damp=F
 DIIS: error= 1.93D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141189689     IErMin= 5 ErrMin= 1.93D-06
 ErrMax= 1.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-09 BMatP= 5.43D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.543D-04 0.148D+00 0.122D+00 0.350D+00 0.380D+00
 Coeff:      0.543D-04 0.148D+00 0.122D+00 0.350D+00 0.380D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.24D-07 MaxDP=8.84D-06 DE=-4.40D-08 OVMax= 9.46D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.18D-08    CP:  1.00D+00  9.72D-01  3.91D-01  5.54D-01  6.91D-01
 E= -1013.45141189909     Delta-E=       -0.000000002196 Rises=F Damp=F
 DIIS: error= 2.13D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141189909     IErMin= 6 ErrMin= 2.13D-07
 ErrMax= 2.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-11 BMatP= 2.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-04 0.411D-01 0.348D-01 0.105D+00 0.167D+00 0.653D+00
 Coeff:     -0.111D-04 0.411D-01 0.348D-01 0.105D+00 0.167D+00 0.653D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.46D-08 MaxDP=1.04D-06 DE=-2.20D-09 OVMax= 1.38D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.98D-08    CP:  1.00D+00  9.72D-01  3.92D-01  5.58D-01  6.84D-01
                    CP:  8.61D-01
 E= -1013.45141189916     Delta-E=       -0.000000000072 Rises=F Damp=F
 DIIS: error= 5.87D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141189916     IErMin= 7 ErrMin= 5.87D-08
 ErrMax= 5.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-12 BMatP= 4.64D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-04 0.130D-01 0.112D-01 0.349D-01 0.656D-01 0.345D+00
 Coeff-Com:  0.530D+00
 Coeff:     -0.129D-04 0.130D-01 0.112D-01 0.349D-01 0.656D-01 0.345D+00
 Coeff:      0.530D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.21D-09 MaxDP=3.13D-07 DE=-7.19D-11 OVMax= 5.07D-07

 Error on total polarization charges =  0.04319
 SCF Done:  E(RB97D) =  -1013.45141190     A.U. after    7 cycles
            NFock=  7  Conv=0.82D-08     -V/T= 2.0213
 KE= 9.923516694440D+02 PE=-6.029823923272D+03 EE= 2.174886667558D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 03:59:24 2016, MaxMem=  2952790016 cpu:      1080.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37496.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 03:59:32 2016, MaxMem=  2952790016 cpu:        96.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 03:59:32 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:00:09 2016, MaxMem=  2952790016 cpu:       440.7
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24768894D+00-2.54624679D+00 3.32195170D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000076331    0.000037426    0.000020356
      2        6           0.000019283   -0.000008064    0.000011327
      3        8           0.000022824    0.000033577   -0.000014145
      4        7           0.000055152    0.000048709    0.000062038
      5        1           0.000012975    0.000031610    0.000000052
      6        6          -0.000056452    0.000012955   -0.000036288
      7        1           0.000011366    0.000023182    0.000035520
      8        1          -0.000019581    0.000025643    0.000076923
      9        1           0.000021992    0.000045850    0.000061997
     10        6          -0.000008593    0.000075926   -0.000035515
     11        1           0.000018092    0.000018358    0.000008334
     12        1           0.000013381    0.000022157    0.000045033
     13        1           0.000023983    0.000028825    0.000014320
     14        6           0.000011874    0.000005831   -0.000009856
     15        8          -0.000014786   -0.000036986   -0.000031690
     16        7           0.000017658    0.000012912   -0.000010439
     17        1           0.000008280    0.000002578   -0.000030254
     18        6          -0.000032069   -0.000015519   -0.000018765
     19        1           0.000003970    0.000021866   -0.000066211
     20        1           0.000006613   -0.000007842   -0.000047628
     21        1           0.000011828    0.000004940   -0.000047149
     22        6           0.000017824    0.000011195   -0.000033869
     23        1           0.000024938    0.000010473   -0.000049382
     24        1           0.000026207    0.000027601   -0.000040923
     25        1           0.000020052    0.000016607   -0.000035643
     26        6           0.000010880    0.000022802    0.000041524
     27        8           0.000002995   -0.000022189    0.000044241
     28        7           0.000003632   -0.000061194    0.000023882
     29        1          -0.000035178   -0.000000887    0.000014352
     30        6          -0.000000974   -0.000033264    0.000014220
     31        1           0.000018248    0.000021071    0.000002997
     32        1           0.000019764    0.000014211   -0.000006694
     33        1          -0.000007417    0.000016113    0.000004457
     34        6           0.000016175   -0.000042746   -0.000002937
     35        1          -0.000022544   -0.000026870    0.000012174
     36        1          -0.000025317   -0.000015548    0.000011710
     37        1          -0.000016804   -0.000012964   -0.000017955
     38        6           0.000021800    0.000004987    0.000002070
     39        8          -0.000036232    0.000003106   -0.000051839
     40        7          -0.000053844   -0.000081319    0.000061804
     41        1          -0.000014008   -0.000026040   -0.000029271
     42        6          -0.000110508   -0.000058159    0.000137961
     43        1          -0.000003807   -0.000031808    0.000014162
     44        1           0.000066944    0.000034692   -0.000058636
     45        1          -0.000016075   -0.000006987   -0.000007292
     46        6          -0.000044423   -0.000042820   -0.000066164
     47        1          -0.000025932   -0.000026875   -0.000005357
     48        1          -0.000007931   -0.000036662    0.000012165
     49        1          -0.000032583   -0.000040462    0.000020280
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000137961 RMS     0.000034628
 Leave Link  716 at Mon Nov 14 04:00:09 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000054214 RMS     0.000006321
 Search for a local minimum.
 Step number  85 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .63209D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   56   60   61   62   67
                                                     68   69   70   71   72
                                                     73   74   75   76   77
                                                     78   79   80   81   82
                                                     83   84   85
 DE= -1.86D-06 DEPred=-1.17D-06 R= 1.59D+00
 TightC=F SS=  1.41D+00  RLast= 5.45D-02 DXNew= 5.9730D-01 1.6363D-01
 Trust test= 1.59D+00 RLast= 5.45D-02 DXMaxT set to 3.55D-01
 ITU=  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1
 ITU= -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1
 ITU=  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  0
     Eigenvalues ---    0.00013   0.00056   0.00106   0.00115   0.00139
     Eigenvalues ---    0.00180   0.00197   0.00216   0.00269   0.00338
     Eigenvalues ---    0.00413   0.00441   0.00522   0.00612   0.00677
     Eigenvalues ---    0.00767   0.00787   0.00835   0.00881   0.00991
     Eigenvalues ---    0.01033   0.01134   0.01189   0.01199   0.01238
     Eigenvalues ---    0.01303   0.01444   0.01502   0.01539   0.01602
     Eigenvalues ---    0.01691   0.01734   0.01790   0.01841   0.01875
     Eigenvalues ---    0.01909   0.02000   0.02093   0.02135   0.02182
     Eigenvalues ---    0.02253   0.02333   0.02661   0.02685   0.02838
     Eigenvalues ---    0.03061   0.03273   0.03539   0.03872   0.04345
     Eigenvalues ---    0.04491   0.04872   0.05334   0.05585   0.05953
     Eigenvalues ---    0.06114   0.06217   0.06333   0.06457   0.06720
     Eigenvalues ---    0.07083   0.07128   0.07490   0.07728   0.07770
     Eigenvalues ---    0.08084   0.08134   0.08212   0.08322   0.08424
     Eigenvalues ---    0.08611   0.08719   0.08955   0.09063   0.09386
     Eigenvalues ---    0.09439   0.09697   0.09897   0.09990   0.10158
     Eigenvalues ---    0.10268   0.10376   0.10464   0.10819   0.10921
     Eigenvalues ---    0.11100   0.11274   0.11380   0.11757   0.13286
     Eigenvalues ---    0.13432   0.14225   0.14909   0.15148   0.15345
     Eigenvalues ---    0.15593   0.16004   0.21258   0.22447   0.22927
     Eigenvalues ---    0.23669   0.24513   0.24699   0.25775   0.26289
     Eigenvalues ---    0.26890   0.27436   0.28184   0.29259   0.29672
     Eigenvalues ---    0.29838   0.31227   0.32795   0.32823   0.32825
     Eigenvalues ---    0.32933   0.33299   0.33349   0.33356   0.33374
     Eigenvalues ---    0.33395   0.33422   0.33495   0.33571   0.33696
     Eigenvalues ---    0.33796   0.33819   0.33840   0.33926   0.33956
     Eigenvalues ---    0.34061   0.34200   0.34240   0.37302   0.38859
     Eigenvalues ---    0.40260   0.40750   0.85941   0.86139   0.86487
     Eigenvalues ---    0.89767
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    85   84   83   82   81
 RFO step:  Lambda=-1.20837476D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.68D-06 SmlDif=  1.00D-05
 RMS Error=  0.2891367267D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.63770   -1.12454    0.31121    0.37711   -0.20148
 Iteration  1 RMS(Cart)=  0.00043724 RMS(Int)=  0.00000333
 Iteration  2 RMS(Cart)=  0.00000023 RMS(Int)=  0.00000052
 ITry= 1 IFail=0 DXMaxC= 4.47D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59390   0.00000   0.00047  -0.00030   0.00017   6.59408
    R2        6.26301   0.00001   0.00096  -0.00007   0.00089   6.26390
    R3        7.25579   0.00001   0.00066   0.00038   0.00104   7.25683
    R4        6.35431   0.00000   0.00002   0.00066   0.00068   6.35499
    R5        6.52919  -0.00001   0.00074  -0.00017   0.00057   6.52976
    R6        5.96735   0.00001   0.00163   0.00021   0.00184   5.96919
    R7        6.69937   0.00000   0.00049  -0.00006   0.00042   6.69979
    R8        6.23217  -0.00001  -0.00016  -0.00021  -0.00037   6.23180
    R9        6.66562  -0.00001  -0.00019  -0.00031  -0.00050   6.66513
   R10        6.06689  -0.00001   0.00075  -0.00060   0.00015   6.06704
   R11        6.95753  -0.00001  -0.00022  -0.00038  -0.00060   6.95693
   R12        6.02981   0.00000  -0.00015  -0.00030  -0.00045   6.02936
   R13        6.88709   0.00000   0.00077  -0.00026   0.00051   6.88760
   R14        6.19584   0.00001   0.00019   0.00016   0.00035   6.19619
   R15        6.86770   0.00000  -0.00049   0.00011  -0.00038   6.86732
   R16        5.95171   0.00001  -0.00070   0.00024  -0.00046   5.95125
   R17        6.68469   0.00002   0.00012   0.00057   0.00069   6.68538
   R18        6.57801  -0.00001   0.00021   0.00018   0.00039   6.57840
   R19        6.22145   0.00000   0.00052   0.00011   0.00063   6.22208
   R20        6.58267  -0.00001  -0.00037  -0.00052  -0.00088   6.58179
   R21        6.04902   0.00000  -0.00110  -0.00095  -0.00205   6.04697
   R22        7.00914  -0.00001   0.00143  -0.00027   0.00116   7.01030
   R23        6.01768   0.00000   0.00143  -0.00005   0.00138   6.01906
   R24        2.34970   0.00000   0.00002  -0.00001   0.00001   2.34971
   R25        2.57150   0.00001   0.00000  -0.00003  -0.00003   2.57147
   R26        2.09472   0.00000   0.00000   0.00001   0.00001   2.09473
   R27        2.76521  -0.00002  -0.00029   0.00006  -0.00023   2.76498
   R28        2.76829  -0.00001  -0.00012  -0.00003  -0.00015   2.76814
   R29        2.07652   0.00000   0.00001   0.00000   0.00000   2.07652
   R30        2.08237   0.00003   0.00011   0.00001   0.00011   2.08249
   R31        2.08300   0.00001   0.00003   0.00001   0.00003   2.08304
   R32        2.08104   0.00000   0.00002  -0.00001   0.00002   2.08105
   R33        2.07459   0.00000   0.00000   0.00001   0.00001   2.07460
   R34        2.08348   0.00000   0.00002   0.00000   0.00002   2.08350
   R35        2.34876   0.00000   0.00001  -0.00001   0.00000   2.34876
   R36        2.57169   0.00001  -0.00002   0.00000  -0.00002   2.57167
   R37        2.09415   0.00000   0.00000  -0.00001  -0.00001   2.09414
   R38        2.76820   0.00001  -0.00002   0.00003   0.00001   2.76821
   R39        2.76493   0.00001   0.00000   0.00000  -0.00001   2.76492
   R40        2.08179   0.00002   0.00001   0.00003   0.00003   2.08183
   R41        2.08407   0.00000   0.00000   0.00000   0.00000   2.08407
   R42        2.07409   0.00000   0.00002  -0.00001   0.00000   2.07409
   R43        2.08323   0.00000   0.00001   0.00000   0.00001   2.08324
   R44        2.08338   0.00001   0.00004   0.00002   0.00006   2.08344
   R45        2.07664   0.00000   0.00000   0.00000   0.00001   2.07665
   R46        2.34836  -0.00001  -0.00002  -0.00001  -0.00003   2.34833
   R47        2.57169   0.00001   0.00004   0.00001   0.00005   2.57174
   R48        2.09356   0.00000  -0.00001   0.00001   0.00000   2.09356
   R49        2.76517  -0.00001  -0.00005   0.00003  -0.00002   2.76515
   R50        2.76881  -0.00001  -0.00004  -0.00001  -0.00005   2.76876
   R51        2.08441   0.00000   0.00000   0.00000   0.00001   2.08442
   R52        2.08228  -0.00002  -0.00006  -0.00003  -0.00009   2.08219
   R53        2.07600   0.00000   0.00002   0.00000   0.00002   2.07602
   R54        2.08522   0.00000   0.00001   0.00000   0.00001   2.08522
   R55        2.07373   0.00001   0.00004  -0.00001   0.00003   2.07377
   R56        2.07786   0.00000   0.00000   0.00000   0.00000   2.07787
   R57        2.34886   0.00005   0.00015   0.00000   0.00015   2.34901
   R58        2.57204   0.00001  -0.00019   0.00005  -0.00015   2.57189
   R59        2.09503   0.00000  -0.00002   0.00002   0.00001   2.09504
   R60        2.76963   0.00003   0.00000   0.00000   0.00000   2.76963
   R61        2.76525  -0.00002  -0.00003  -0.00005  -0.00008   2.76517
   R62        2.07454   0.00000   0.00001   0.00000   0.00000   2.07455
   R63        2.08354  -0.00001  -0.00005   0.00000  -0.00006   2.08348
   R64        2.08005  -0.00001  -0.00009   0.00001  -0.00009   2.07996
   R65        2.07609   0.00000   0.00000   0.00001   0.00001   2.07610
   R66        2.08514   0.00001   0.00002  -0.00001   0.00001   2.08515
   R67        2.08217   0.00001   0.00003   0.00001   0.00003   2.08221
    A1        0.68014   0.00000  -0.00010   0.00000  -0.00011   0.68004
    A2        0.95702   0.00000  -0.00015   0.00000  -0.00016   0.95686
    A3        0.72731   0.00000  -0.00013   0.00001  -0.00012   0.72719
    A4        1.01936   0.00000  -0.00016   0.00000  -0.00016   1.01920
    A5        2.34632   0.00000   0.00000   0.00005   0.00005   2.34637
    A6        2.02797   0.00000  -0.00001   0.00001   0.00000   2.02797
    A7        1.98375   0.00000  -0.00008  -0.00005  -0.00013   1.98361
    A8        1.69182  -0.00001  -0.00018  -0.00007  -0.00025   1.69157
    A9        1.65750   0.00000  -0.00002   0.00002   0.00000   1.65750
   A10        1.37638   0.00000  -0.00002  -0.00001  -0.00003   1.37635
   A11        1.73049   0.00000   0.00009   0.00008   0.00017   1.73066
   A12        2.03517   0.00000   0.00006   0.00011   0.00018   2.03535
   A13        1.94146   0.00000   0.00006   0.00010   0.00017   1.94163
   A14        2.02902   0.00000   0.00007   0.00013   0.00021   2.02923
   A15        2.42933   0.00000   0.00003   0.00008   0.00011   2.42944
   A16        1.58946   0.00000   0.00014  -0.00005   0.00009   1.58955
   A17        1.78879   0.00000   0.00019   0.00007   0.00026   1.78905
   A18        1.56682   0.00000   0.00026   0.00014   0.00040   1.56722
   A19        1.70478   0.00000   0.00030   0.00018   0.00048   1.70527
   A20        2.19219   0.00000   0.00009   0.00009   0.00018   2.19236
   A21        2.41207   0.00000   0.00021   0.00012   0.00033   2.41240
   A22        0.64268   0.00000  -0.00006  -0.00003  -0.00009   0.64259
   A23        0.65953   0.00000  -0.00012  -0.00002  -0.00014   0.65939
   A24        2.39637   0.00001   0.00005   0.00011   0.00016   2.39653
   A25        2.22529   0.00001  -0.00001   0.00006   0.00005   2.22534
   A26        2.32556   0.00000  -0.00010  -0.00001  -0.00011   2.32545
   A27        2.06288   0.00000  -0.00024  -0.00004  -0.00027   2.06261
   A28        1.81771   0.00000  -0.00003   0.00004   0.00001   1.81773
   A29        1.57786   0.00000  -0.00002   0.00002  -0.00001   1.57785
   A30        1.33738   0.00000   0.00011   0.00006   0.00017   1.33754
   A31        1.63639   0.00000   0.00010   0.00010   0.00021   1.63659
   A32        1.58726   0.00000   0.00014   0.00012   0.00026   1.58752
   A33        1.73899   0.00000   0.00016   0.00016   0.00033   1.73932
   A34        2.03297   0.00000   0.00006   0.00006   0.00012   2.03309
   A35        1.85355  -0.00001   0.00010  -0.00002   0.00008   1.85363
   A36        1.92072   0.00000   0.00018   0.00012   0.00030   1.92102
   A37        1.57244   0.00000   0.00023   0.00016   0.00039   1.57283
   A38        1.58887  -0.00001   0.00029   0.00019   0.00048   1.58935
   A39        2.27558   0.00000   0.00010   0.00021   0.00031   2.27588
   A40        2.37085   0.00000   0.00033   0.00021   0.00054   2.37138
   A41        0.68861   0.00000  -0.00008  -0.00002  -0.00010   0.68852
   A42        0.74668   0.00000  -0.00010  -0.00007  -0.00017   0.74651
   A43        2.65947   0.00001   0.00007   0.00011   0.00017   2.65964
   A44        2.60380   0.00000  -0.00008   0.00005  -0.00003   2.60377
   A45        2.66224   0.00000  -0.00019  -0.00006  -0.00025   2.66200
   A46        2.35850  -0.00001  -0.00025  -0.00008  -0.00034   2.35816
   A47        2.19624   0.00000  -0.00010   0.00002  -0.00008   2.19616
   A48        1.96307   0.00000  -0.00010  -0.00001  -0.00011   1.96296
   A49        1.09447   0.00001   0.00023   0.00011   0.00034   1.09481
   A50        1.45392   0.00001   0.00020   0.00014   0.00035   1.45427
   A51        1.55563   0.00001   0.00023   0.00015   0.00038   1.55601
   A52        1.79095   0.00000   0.00023   0.00018   0.00041   1.79136
   A53        1.78008   0.00001   0.00015   0.00010   0.00025   1.78033
   A54        1.71304  -0.00001   0.00009   0.00004   0.00012   1.71316
   A55        1.64904   0.00000   0.00021   0.00017   0.00039   1.64943
   A56        1.24905   0.00000   0.00025   0.00019   0.00044   1.24949
   A57        1.21550   0.00000   0.00035   0.00021   0.00056   1.21606
   A58        1.94326   0.00000   0.00017   0.00027   0.00044   1.94370
   A59        1.99326   0.00000   0.00041   0.00024   0.00065   1.99392
   A60        0.83903   0.00000   0.00006  -0.00004   0.00002   0.83905
   A61        0.77569   0.00001   0.00008  -0.00010  -0.00002   0.77567
   A62        2.59768   0.00001   0.00030   0.00008   0.00038   2.59806
   A63        2.76782   0.00001   0.00012   0.00006   0.00018   2.76800
   A64        2.61684  -0.00001  -0.00033  -0.00009  -0.00042   2.61642
   A65        2.39405   0.00001   0.00003   0.00001   0.00004   2.39409
   A66        2.20151   0.00000  -0.00003  -0.00001  -0.00004   2.20147
   A67        0.85171   0.00001   0.00039   0.00011   0.00050   0.85221
   A68        1.22712   0.00001   0.00036   0.00014   0.00050   1.22762
   A69        1.40761   0.00001   0.00043   0.00015   0.00058   1.40818
   A70        1.67852   0.00001   0.00044   0.00016   0.00060   1.67912
   A71        1.51644   0.00001   0.00025   0.00010   0.00035   1.51679
   A72        1.72980  -0.00001  -0.00013   0.00009  -0.00004   1.72976
   A73        1.56089   0.00000   0.00003   0.00021   0.00024   1.56113
   A74        1.13188  -0.00001   0.00004   0.00020   0.00024   1.13212
   A75        1.02102  -0.00001   0.00020   0.00022   0.00043   1.02145
   A76        1.77776   0.00000   0.00005   0.00031   0.00036   1.77812
   A77        1.77003   0.00000   0.00035   0.00026   0.00062   1.77064
   A78        1.99808   0.00001   0.00012   0.00011   0.00023   1.99831
   A79        1.94307   0.00000   0.00001   0.00008   0.00009   1.94316
   A80        2.22168   0.00000  -0.00009   0.00006  -0.00004   2.22165
   A81        2.08212   0.00000  -0.00032   0.00003  -0.00030   2.08182
   A82        1.55505   0.00000  -0.00003   0.00005   0.00002   1.55507
   A83        1.39009   0.00000  -0.00003   0.00003   0.00000   1.39009
   A84        1.19626   0.00000   0.00008   0.00000   0.00008   1.19634
   A85        1.38187   0.00000   0.00014   0.00005   0.00019   1.38207
   A86        1.21517   0.00000   0.00019   0.00009   0.00027   1.21545
   A87        1.32103   0.00000   0.00023   0.00015   0.00038   1.32140
   A88        1.80856   0.00000   0.00012   0.00002   0.00014   1.80870
   A89        2.28408  -0.00001   0.00002  -0.00002   0.00000   2.28408
   A90        2.33080   0.00000   0.00013   0.00015   0.00028   2.33108
   A91        1.93711   0.00000   0.00017   0.00017   0.00034   1.93744
   A92        1.85964   0.00000   0.00025   0.00018   0.00044   1.86008
   A93        2.61652   0.00000   0.00011   0.00027   0.00038   2.61690
   A94        2.55914   0.00000   0.00039   0.00023   0.00062   2.55976
   A95        1.91364   0.00000   0.00018   0.00017   0.00035   1.91399
   A96        1.99432   0.00000   0.00006   0.00016   0.00022   1.99454
   A97        2.37033   0.00000  -0.00002   0.00016   0.00014   2.37048
   A98        2.32827   0.00000  -0.00030   0.00011  -0.00019   2.32808
   A99        1.66600   0.00000  -0.00001   0.00012   0.00011   1.66611
   A100       1.57460   0.00000  -0.00002   0.00010   0.00008   1.57469
   A101       0.89027   0.00000   0.00006  -0.00006   0.00000   0.89027
   A102       1.05998   0.00000   0.00016   0.00005   0.00021   1.06018
   A103       0.92983   0.00000   0.00025   0.00013   0.00038   0.93021
   A104       1.09031   0.00000   0.00030   0.00021   0.00050   1.09082
   A105       1.48654   0.00000   0.00014   0.00001   0.00015   1.48669
   A106       2.45894   0.00000  -0.00002  -0.00003  -0.00005   2.45890
   A107       2.33372   0.00001   0.00011   0.00011   0.00022   2.33393
   A108       1.90163   0.00000   0.00010   0.00009   0.00019   1.90181
   A109       1.72940   0.00000   0.00018   0.00009   0.00027   1.72967
   A110       2.45333   0.00001   0.00013   0.00022   0.00035   2.45368
   A111       2.29433   0.00000   0.00037   0.00016   0.00053   2.29486
   A112       0.71332   0.00000  -0.00001   0.00003   0.00001   0.71333
   A113       1.00503   0.00001  -0.00004   0.00005   0.00001   1.00504
   A114       0.69543   0.00000   0.00000   0.00002   0.00002   0.69546
   A115       0.98306   0.00001   0.00002   0.00004   0.00006   0.98311
   A116       1.80550  -0.00001  -0.00014  -0.00007  -0.00021   1.80529
   A117       1.42519  -0.00001  -0.00009  -0.00009  -0.00019   1.42500
   A118       1.19223   0.00000  -0.00013  -0.00007  -0.00020   1.19203
   A119       0.91936   0.00000  -0.00013  -0.00008  -0.00022   0.91915
   A120       1.25021  -0.00001  -0.00003  -0.00009  -0.00012   1.25009
   A121       1.90779   0.00000  -0.00016  -0.00015  -0.00031   1.90747
   A122       1.95389  -0.00001  -0.00025  -0.00026  -0.00050   1.95339
   A123       2.31190   0.00000  -0.00028  -0.00026  -0.00053   2.31137
   A124       2.23077   0.00000  -0.00031  -0.00024  -0.00055   2.23022
   A125       1.61087  -0.00001  -0.00015  -0.00031  -0.00046   1.61041
   A126       1.47767  -0.00001  -0.00031  -0.00026  -0.00057   1.47710
   A127       0.65633   0.00000  -0.00005   0.00005   0.00000   0.65633
   A128       0.66052   0.00000   0.00001   0.00003   0.00004   0.66057
   A129       2.16957  -0.00001  -0.00021  -0.00008  -0.00028   2.16929
   A130       1.79762  -0.00001  -0.00015  -0.00010  -0.00024   1.79738
   A131       1.50479   0.00000  -0.00020  -0.00009  -0.00029   1.50450
   A132       1.21289   0.00000  -0.00020  -0.00009  -0.00029   1.21259
   A133       1.64329  -0.00001  -0.00006  -0.00008  -0.00014   1.64315
   A134       1.75462   0.00000  -0.00006  -0.00017  -0.00022   1.75440
   A135       1.95402  -0.00001  -0.00016  -0.00027  -0.00043   1.95359
   A136       2.38346   0.00000  -0.00016  -0.00025  -0.00042   2.38305
   A137       2.46367   0.00000  -0.00027  -0.00026  -0.00053   2.46313
   A138       1.72195  -0.00001  -0.00011  -0.00035  -0.00046   1.72149
   A139       1.68528  -0.00001  -0.00032  -0.00028  -0.00061   1.68467
   A140       0.70433   0.00000  -0.00001   0.00004   0.00004   0.70437
   A141       0.83162   0.00000  -0.00006   0.00003  -0.00003   0.83159
   A142       2.49651   0.00000  -0.00010  -0.00003  -0.00014   2.49637
   A143       2.11762   0.00000  -0.00007  -0.00006  -0.00013   2.11749
   A144       1.90084   0.00000  -0.00016  -0.00005  -0.00021   1.90063
   A145       1.61696   0.00000  -0.00017  -0.00006  -0.00023   1.61673
   A146       1.83543   0.00000   0.00003  -0.00003   0.00000   1.83543
   A147       1.32990   0.00000  -0.00005  -0.00019  -0.00024   1.32966
   A148       1.56951  -0.00001  -0.00011  -0.00028  -0.00040   1.56911
   A149       2.00016   0.00000  -0.00009  -0.00025  -0.00034   1.99982
   A150       2.17894   0.00000  -0.00016  -0.00025  -0.00041   2.17853
   A151       1.42809  -0.00001  -0.00005  -0.00036  -0.00041   1.42768
   A152       1.48957  -0.00001  -0.00027  -0.00028  -0.00055   1.48901
   A153       0.76756   0.00000  -0.00015   0.00007  -0.00008   0.76748
   A154       0.76810   0.00000  -0.00025   0.00004  -0.00021   0.76789
   A155       2.80788   0.00000  -0.00013  -0.00002  -0.00015   2.80773
   A156       2.42651   0.00000  -0.00009  -0.00004  -0.00014   2.42637
   A157       2.16020   0.00000  -0.00026  -0.00004  -0.00030   2.15990
   A158       1.86721   0.00000  -0.00027  -0.00004  -0.00031   1.86690
   A159       2.14458   0.00000   0.00010  -0.00001   0.00009   2.14467
   A160       1.19348   0.00000   0.00016  -0.00021  -0.00005   1.19343
   A161       1.51849  -0.00001   0.00013  -0.00027  -0.00015   1.51834
   A162       1.91575   0.00000   0.00015  -0.00022  -0.00007   1.91567
   A163       2.17575   0.00000   0.00011  -0.00022  -0.00011   2.17564
   A164       1.50068   0.00000   0.00016  -0.00034  -0.00018   1.50050
   A165       1.63969   0.00000  -0.00006  -0.00026  -0.00032   1.63937
   A166       2.16101  -0.00001  -0.00024  -0.00010  -0.00035   2.16066
   A167       1.86322  -0.00001  -0.00018  -0.00012  -0.00029   1.86293
   A168       1.47786   0.00000  -0.00022  -0.00011  -0.00033   1.47752
   A169       1.19865   0.00000  -0.00021  -0.00009  -0.00030   1.19835
   A170       1.87044  -0.00001  -0.00008  -0.00010  -0.00019   1.87025
   A171       1.96075   0.00000   0.00002  -0.00014  -0.00012   1.96063
   A172       2.26547   0.00000  -0.00009  -0.00023  -0.00032   2.26515
   A173       2.68218   0.00000  -0.00002  -0.00016  -0.00019   2.68199
   A174       2.11102   0.00000  -0.00008  -0.00032  -0.00041   2.11061
   A175       2.09328   0.00000  -0.00031  -0.00026  -0.00057   2.09271
   A176       2.27087  -0.00001  -0.00017  -0.00007  -0.00025   2.27062
   A177       2.05201  -0.00001  -0.00012  -0.00008  -0.00020   2.05181
   A178       1.64193   0.00000  -0.00015  -0.00008  -0.00023   1.64170
   A179       1.39083   0.00000  -0.00013  -0.00005  -0.00018   1.39065
   A180       2.13723  -0.00001  -0.00005  -0.00008  -0.00012   2.13711
   A181       1.89411   0.00000   0.00001  -0.00016  -0.00014   1.89397
   A182       2.26755   0.00000  -0.00007  -0.00021  -0.00028   2.26727
   A183       2.58819   0.00000   0.00006  -0.00008  -0.00002   2.58817
   A184       2.25091   0.00000  -0.00010  -0.00032  -0.00042   2.25048
   A185       2.31112   0.00000  -0.00033  -0.00026  -0.00059   2.31053
   A186       0.69133   0.00000  -0.00002   0.00001  -0.00001   0.69133
   A187       0.98208  -0.00001  -0.00002   0.00000  -0.00002   0.98206
   A188       0.69933   0.00000  -0.00006  -0.00001  -0.00006   0.69926
   A189       2.11821   0.00001   0.00016   0.00023   0.00039   2.11860
   A190       1.73629   0.00001   0.00021   0.00026   0.00046   1.73675
   A191       1.40755   0.00000   0.00017   0.00020   0.00037   1.40793
   A192       1.10211   0.00000   0.00020   0.00019   0.00038   1.10250
   A193       1.62258   0.00001   0.00017   0.00030   0.00048   1.62306
   A194       1.41122   0.00000   0.00033   0.00023   0.00056   1.41178
   A195       0.66717  -0.00001   0.00002  -0.00003   0.00000   0.66716
   A196       2.25731   0.00001   0.00002   0.00017   0.00019   2.25750
   A197       1.85807   0.00001   0.00006   0.00017   0.00024   1.85830
   A198       1.64100   0.00001   0.00004   0.00014   0.00018   1.64117
   A199       1.32106   0.00001   0.00005   0.00012   0.00016   1.32123
   A200       1.60872   0.00001   0.00008   0.00019   0.00027   1.60899
   A201       1.34232   0.00000   0.00020   0.00014   0.00034   1.34266
   A202       0.71077   0.00000   0.00002  -0.00003  -0.00001   0.71075
   A203       2.63777   0.00001  -0.00004   0.00012   0.00009   2.63786
   A204       2.25290   0.00000   0.00004   0.00013   0.00017   2.25307
   A205       2.05278   0.00000   0.00008   0.00015   0.00023   2.05300
   A206       1.73297   0.00000   0.00009   0.00013   0.00021   1.73318
   A207       1.94569   0.00001   0.00004   0.00011   0.00015   1.94584
   A208       1.66356   0.00000   0.00012   0.00008   0.00019   1.66375
   A209       0.83518  -0.00001   0.00002  -0.00007  -0.00005   0.83514
   A210       2.66429   0.00001  -0.00021  -0.00007  -0.00028   2.66402
   A211       2.37489   0.00000  -0.00010  -0.00002  -0.00012   2.37477
   A212       2.29245   0.00000   0.00000   0.00006   0.00006   2.29251
   A213       1.97636   0.00000   0.00001   0.00005   0.00007   1.97643
   A214       1.99813   0.00000  -0.00005  -0.00005  -0.00010   1.99802
   A215       1.72070   0.00000  -0.00003  -0.00005  -0.00008   1.72062
   A216       1.92791   0.00001  -0.00007   0.00015   0.00008   1.92799
   A217       1.55842   0.00001  -0.00005   0.00012   0.00007   1.55849
   A218       1.48595   0.00001  -0.00011   0.00005  -0.00006   1.48589
   A219       1.19426   0.00001  -0.00013   0.00002  -0.00011   1.19414
   A220       1.23581   0.00001   0.00003   0.00016   0.00019   1.23600
   A221       0.95535   0.00000   0.00013   0.00013   0.00025   0.95560
   A222       0.72527   0.00000  -0.00002   0.00000  -0.00002   0.72526
   A223       1.01724   0.00000  -0.00004   0.00004  -0.00001   1.01723
   A224       0.69764   0.00000  -0.00010   0.00001  -0.00010   0.69755
   A225       0.98103   0.00001  -0.00016   0.00003  -0.00013   0.98090
   A226       0.65817   0.00001  -0.00001   0.00006   0.00005   0.65822
   A227       0.66244   0.00000  -0.00008   0.00000  -0.00008   0.66236
   A228       0.70388   0.00000  -0.00012   0.00006  -0.00006   0.70381
   A229       0.85011   0.00000   0.00000   0.00000  -0.00001   0.85010
   A230       0.75855   0.00001  -0.00013   0.00010  -0.00003   0.75852
   A231       0.78205   0.00001   0.00003   0.00002   0.00005   0.78210
   A232       1.58843   0.00000  -0.00011   0.00003  -0.00007   1.58835
   A233       1.86376   0.00001  -0.00031   0.00006  -0.00025   1.86351
   A234       2.19025   0.00001   0.00002  -0.00004  -0.00002   2.19023
   A235       2.12917   0.00000  -0.00009   0.00006  -0.00003   2.12914
   A236       1.96339  -0.00001   0.00007  -0.00002   0.00005   1.96344
   A237       2.12394   0.00000  -0.00001   0.00004   0.00003   2.12397
   A238       2.12693  -0.00002  -0.00020  -0.00004  -0.00024   2.12668
   A239       2.03167   0.00002   0.00020   0.00000   0.00021   2.03188
   A240       1.82871   0.00001   0.00063  -0.00006   0.00056   1.82927
   A241       2.54549   0.00000  -0.00050   0.00007  -0.00043   2.54505
   A242       1.91383   0.00001   0.00009   0.00000   0.00009   1.91392
   A243       1.91678   0.00000   0.00006  -0.00002   0.00003   1.91682
   A244       1.91611   0.00000   0.00022   0.00005   0.00026   1.91637
   A245       1.91009  -0.00001   0.00003  -0.00001   0.00001   1.91010
   A246       1.90837  -0.00001  -0.00015   0.00000  -0.00015   1.90822
   A247       1.89854   0.00001  -0.00024  -0.00002  -0.00026   1.89828
   A248       1.28845  -0.00002  -0.00064  -0.00029  -0.00094   1.28752
   A249       1.90406   0.00000   0.00013  -0.00005   0.00008   1.90414
   A250       1.90925   0.00000   0.00001   0.00000   0.00001   1.90926
   A251       1.92775   0.00001   0.00013   0.00002   0.00015   1.92791
   A252       1.91170  -0.00002  -0.00020  -0.00002  -0.00022   1.91148
   A253       1.89782   0.00000  -0.00002   0.00003   0.00001   1.89784
   A254       1.91314   0.00001  -0.00006   0.00001  -0.00005   1.91309
   A255       1.72208   0.00001   0.00003   0.00011   0.00014   1.72222
   A256       1.76485   0.00000   0.00025  -0.00006   0.00019   1.76504
   A257       2.19145   0.00000  -0.00002  -0.00002  -0.00004   2.19141
   A258       2.12964   0.00000  -0.00001   0.00004   0.00002   2.12966
   A259       1.96189   0.00000   0.00003  -0.00002   0.00001   1.96190
   A260       2.12552   0.00000   0.00005   0.00001   0.00005   2.12557
   A261       2.12273   0.00000   0.00007  -0.00002   0.00005   2.12278
   A262       2.03464   0.00000  -0.00011   0.00001  -0.00010   2.03454
   A263       1.36190  -0.00002  -0.00054   0.00010  -0.00044   1.36146
   A264       1.90143   0.00000  -0.00008  -0.00001  -0.00009   1.90133
   A265       1.93074   0.00001   0.00002   0.00001   0.00003   1.93077
   A266       1.90980  -0.00001   0.00006  -0.00004   0.00002   1.90983
   A267       1.89659   0.00000   0.00004   0.00000   0.00004   1.89663
   A268       1.91385   0.00000  -0.00001   0.00002   0.00001   1.91386
   A269       1.91131   0.00001  -0.00003   0.00002   0.00000   1.91130
   A270       2.67048   0.00000   0.00013   0.00012   0.00024   2.67073
   A271       1.69263   0.00000  -0.00018  -0.00010  -0.00028   1.69235
   A272       1.92485   0.00000   0.00009  -0.00003   0.00006   1.92491
   A273       1.91277   0.00000  -0.00006   0.00002  -0.00004   1.91273
   A274       1.91356   0.00000   0.00003   0.00000   0.00004   1.91360
   A275       1.89428   0.00000  -0.00007   0.00002  -0.00005   1.89422
   A276       1.91103   0.00000   0.00002  -0.00001   0.00001   1.91105
   A277       1.90715   0.00000  -0.00002   0.00000  -0.00002   1.90713
   A278       1.80811   0.00001   0.00093   0.00014   0.00107   1.80918
   A279       1.75450  -0.00003  -0.00095  -0.00031  -0.00126   1.75325
   A280       2.18970   0.00000   0.00000   0.00005   0.00005   2.18975
   A281       2.13045   0.00001   0.00007   0.00001   0.00008   2.13053
   A282       1.96296  -0.00001  -0.00007  -0.00006  -0.00013   1.96283
   A283       2.12299  -0.00001  -0.00001  -0.00002  -0.00003   2.12296
   A284       2.11504   0.00000  -0.00003   0.00003   0.00000   2.11504
   A285       2.04216   0.00001   0.00004  -0.00001   0.00003   2.04219
   A286       2.69492   0.00002  -0.00010   0.00021   0.00010   2.69502
   A287       1.66421  -0.00001   0.00001  -0.00019  -0.00017   1.66404
   A288       1.92613   0.00000  -0.00008   0.00000  -0.00008   1.92605
   A289       1.91551  -0.00001   0.00007  -0.00002   0.00005   1.91556
   A290       1.91250   0.00000   0.00004   0.00001   0.00005   1.91254
   A291       1.89067   0.00001  -0.00009   0.00006  -0.00003   1.89064
   A292       1.91240   0.00000   0.00005  -0.00002   0.00003   1.91243
   A293       1.90641   0.00000   0.00001  -0.00003  -0.00001   1.90639
   A294       1.35042   0.00000  -0.00027   0.00039   0.00012   1.35054
   A295       1.15389  -0.00001   0.00013  -0.00029  -0.00016   1.15373
   A296       1.93260   0.00001   0.00011   0.00005   0.00016   1.93276
   A297       1.90708   0.00000   0.00000  -0.00001  -0.00001   1.90707
   A298       1.90209  -0.00001  -0.00006  -0.00002  -0.00008   1.90201
   A299       1.90921   0.00000  -0.00004   0.00003  -0.00001   1.90920
   A300       1.89832   0.00000   0.00001  -0.00002  -0.00001   1.89831
   A301       1.91447   0.00000  -0.00003  -0.00002  -0.00005   1.91441
   A302       1.64701   0.00001  -0.00015   0.00005  -0.00010   1.64691
   A303       1.80571   0.00000  -0.00003  -0.00008  -0.00012   1.80559
   A304       2.18937   0.00002   0.00010  -0.00004   0.00006   2.18943
   A305       2.13012   0.00000  -0.00007   0.00000  -0.00007   2.13005
   A306       1.96334  -0.00002  -0.00003   0.00004   0.00001   1.96334
   A307       2.12599  -0.00002   0.00000  -0.00011  -0.00012   2.12587
   A308       2.12355   0.00002   0.00015  -0.00002   0.00013   2.12369
   A309       2.03043   0.00000  -0.00015   0.00010  -0.00005   2.03038
   A310       1.30778  -0.00001  -0.00015  -0.00005  -0.00020   1.30757
   A311       3.04356   0.00001  -0.00039   0.00001  -0.00037   3.04319
   A312       1.91201  -0.00001  -0.00009   0.00002  -0.00007   1.91194
   A313       1.92790   0.00000  -0.00003   0.00015   0.00013   1.92803
   A314       1.90274   0.00001  -0.00008   0.00007   0.00000   1.90273
   A315       1.91221   0.00001   0.00032  -0.00018   0.00014   1.91235
   A316       1.91202  -0.00001  -0.00005  -0.00016  -0.00021   1.91181
   A317       1.89681   0.00001  -0.00008   0.00010   0.00001   1.89682
   A318       1.78641   0.00000   0.00092  -0.00031   0.00061   1.78702
   A319       1.91583   0.00000   0.00008  -0.00005   0.00003   1.91586
   A320       1.91434   0.00001   0.00009   0.00007   0.00017   1.91450
   A321       1.92014   0.00001  -0.00017   0.00008  -0.00009   1.92006
   A322       1.90692   0.00000   0.00015   0.00002   0.00017   1.90709
   A323       1.91077  -0.00001  -0.00010  -0.00008  -0.00018   1.91060
   A324       1.89566  -0.00001  -0.00005  -0.00005  -0.00010   1.89556
   A325       2.94077   0.00000  -0.00024  -0.00005  -0.00029   2.94047
   A326       3.36228   0.00000   0.00029   0.00019   0.00048   3.36277
   A327       3.08117   0.00000   0.00028   0.00017   0.00045   3.08162
   A328       3.20159  -0.00002  -0.00070  -0.00028  -0.00098   3.20061
   A329       3.27320  -0.00001  -0.00057   0.00013  -0.00044   3.27276
   A330       3.25963   0.00000  -0.00031   0.00042   0.00011   3.25974
   A331       3.69718  -0.00001   0.00082  -0.00038   0.00043   3.69762
   A332       3.21512   0.00001   0.00022   0.00008   0.00030   3.21543
   A333       2.97862   0.00000   0.00000  -0.00013  -0.00013   2.97849
   A334       2.91122   0.00000  -0.00005  -0.00013  -0.00018   2.91104
   A335       3.23122   0.00001  -0.00008  -0.00008  -0.00017   3.23105
   A336       3.07591   0.00000   0.00025  -0.00010   0.00015   3.07606
   A337       3.10367  -0.00001  -0.00001  -0.00013  -0.00014   3.10354
   A338       3.04563   0.00000   0.00026  -0.00007   0.00019   3.04582
    D1        2.75796   0.00001  -0.00001  -0.00012  -0.00012   2.75783
    D2       -1.36151   0.00001  -0.00022  -0.00002  -0.00024  -1.36175
    D3        2.78017   0.00001   0.00021  -0.00013   0.00008   2.78025
    D4       -1.33929   0.00001   0.00000  -0.00004  -0.00004  -1.33933
    D5        1.66255   0.00000  -0.00004  -0.00008  -0.00012   1.66243
    D6       -2.45691   0.00000  -0.00025   0.00001  -0.00024  -2.45715
    D7        1.84287   0.00000   0.00000  -0.00001  -0.00001   1.84286
    D8       -2.27659   0.00000  -0.00021   0.00008  -0.00012  -2.27672
    D9        0.32244   0.00000  -0.00011  -0.00025  -0.00035   0.32209
   D10        2.48616   0.00000  -0.00032  -0.00015  -0.00047   2.48569
   D11        0.03471   0.00000  -0.00002  -0.00020  -0.00022   0.03450
   D12        2.19844   0.00000  -0.00023  -0.00011  -0.00033   2.19810
   D13       -0.43495   0.00000  -0.00001  -0.00022  -0.00022  -0.43518
   D14        1.72877   0.00000  -0.00022  -0.00013  -0.00034   1.72843
   D15       -0.55772   0.00000   0.00016  -0.00021  -0.00004  -0.55776
   D16        1.60600   0.00000  -0.00005  -0.00011  -0.00016   1.60584
   D17        0.21348   0.00000   0.00001  -0.00013  -0.00012   0.21336
   D18        2.37720   0.00000  -0.00020  -0.00004  -0.00024   2.37696
   D19        0.14608   0.00000  -0.00004  -0.00013  -0.00017   0.14590
   D20        2.30980   0.00000  -0.00025  -0.00004  -0.00029   2.30951
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   D458       0.97480   0.00000  -0.00021  -0.00021  -0.00042   0.97438
   D459       3.06804   0.00000  -0.00025  -0.00020  -0.00045   3.06759
   D460      -3.08470   0.00001   0.00094   0.00013   0.00108  -3.08363
   D461      -0.02870   0.00001   0.00095   0.00019   0.00114  -0.02755
   D462       0.06952   0.00002   0.00103   0.00013   0.00116   0.07067
   D463       3.12552   0.00002   0.00104   0.00019   0.00122   3.12675
   D464       1.93642  -0.00001  -0.00002   0.00000  -0.00002   1.93640
   D465      -2.26434   0.00000  -0.00014   0.00006  -0.00007  -2.26441
   D466      -0.17098  -0.00001  -0.00005   0.00002  -0.00003  -0.17101
   D467      -1.12299  -0.00001  -0.00003  -0.00006  -0.00008  -1.12308
   D468       0.95943   0.00000  -0.00014   0.00001  -0.00014   0.95929
   D469       3.05279  -0.00001  -0.00006  -0.00004  -0.00010   3.05269
   D470      -1.63572  -0.00001   0.00058  -0.00058   0.00000  -1.63573
   D471       0.46832   0.00000   0.00060  -0.00052   0.00008   0.46840
   D472       2.56007  -0.00001   0.00052  -0.00057  -0.00004   2.56003
   D473       1.42409   0.00000   0.00058  -0.00052   0.00006   1.42415
   D474      -2.75505   0.00000   0.00060  -0.00047   0.00014  -2.75491
   D475      -0.66330  -0.00001   0.00053  -0.00051   0.00002  -0.66328
   D476       0.00613   0.00000  -0.00029  -0.00031  -0.00061   0.00552
   D477      -3.04626   0.00000  -0.00026   0.00008  -0.00018  -3.04644
   D478       3.11932   0.00000  -0.00042  -0.00036  -0.00078   3.11855
   D479       0.06693   0.00000  -0.00039   0.00004  -0.00035   0.06659
   D480      -0.30260  -0.00001   0.00035   0.00014   0.00049  -0.30211
   D481       1.80538  -0.00001   0.00067   0.00003   0.00071   1.80608
   D482      -2.39472   0.00001   0.00051   0.00029   0.00080  -2.39392
   D483       2.75429  -0.00001   0.00034  -0.00024   0.00010   2.75439
   D484      -1.42091  -0.00001   0.00066  -0.00035   0.00031  -1.42061
   D485       0.66217   0.00000   0.00049  -0.00010   0.00040   0.66257
   D486      -0.09333  -0.00001  -0.00079   0.00024  -0.00056  -0.09388
   D487       2.00200   0.00000  -0.00050   0.00027  -0.00023   2.00177
   D488      -2.19705   0.00000  -0.00061   0.00031  -0.00030  -2.19735
   D489       3.13284   0.00000  -0.00077   0.00062  -0.00015   3.13269
   D490      -1.05503   0.00001  -0.00047   0.00066   0.00019  -1.05484
   D491       1.02912   0.00001  -0.00059   0.00069   0.00011   1.02922
         Item               Value     Threshold  Converged?
 Maximum Force            0.000054     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.004466     0.001800     NO 
 RMS     Displacement     0.000437     0.001200     YES
 Predicted change in Energy=-3.299032D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:00:10 2016, MaxMem=  2952790016 cpu:         8.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.827621   -0.588292    1.667296
      2          6           0       -2.068941    1.118247   -1.366784
      3          8           0       -2.621447    0.139419   -1.898492
      4          7           0       -0.776378    1.162402   -0.943696
      5          1           0       -2.614978    2.060728   -1.161109
      6          6           0       -0.233686    2.331523   -0.251239
      7          1           0       -0.988571    3.129632   -0.225965
      8          1           0        0.046533    2.058946    0.779097
      9          1           0        0.663685    2.694556   -0.778484
     10          6           0        0.131405    0.025176   -1.112209
     11          1           0        0.694309   -0.128030   -0.178180
     12          1           0       -0.452053   -0.876211   -1.340919
     13          1           0        0.846255    0.220330   -1.928604
     14          6           0       -2.004023   -3.999415    2.617472
     15          8           0       -2.123866   -3.846137    3.845060
     16          7           0       -2.946413   -3.690385    1.685610
     17          1           0       -1.074643   -4.396436    2.162860
     18          6           0       -4.245448   -3.126041    2.059608
     19          1           0       -4.507025   -2.327750    1.346901
     20          1           0       -5.029795   -3.900577    2.025605
     21          1           0       -4.184538   -2.710319    3.073565
     22          6           0       -2.700127   -3.874255    0.255123
     23          1           0       -3.409804   -4.606394   -0.163952
     24          1           0       -2.836166   -2.914320   -0.269803
     25          1           0       -1.671980   -4.229889    0.100042
     26          6           0        1.557682    0.379280    2.609525
     27          8           0        1.389976    1.398280    3.300734
     28          7           0        1.174165   -0.880266    2.953801
     29          1           0        2.040565    0.417253    1.613157
     30          6           0        1.477610   -2.033674    2.106045
     31          1           0        2.222030   -2.684161    2.595305
     32          1           0        0.561715   -2.622174    1.936124
     33          1           0        1.869685   -1.687521    1.139949
     34          6           0        0.531855   -1.152175    4.242292
     35          1           0        1.279463   -1.454425    4.995510
     36          1           0        0.013074   -0.248363    4.586173
     37          1           0       -0.192652   -1.969476    4.115244
     38          6           0       -4.607683    1.097340    2.911571
     39          8           0       -4.856554    1.673934    1.838838
     40          7           0       -3.535355    1.347062    3.711593
     41          1           0       -5.249003    0.282601    3.304010
     42          6           0       -2.537927    2.365416    3.370788
     43          1           0       -2.623448    2.621692    2.306749
     44          1           0       -2.687093    3.270896    3.981875
     45          1           0       -1.532879    1.965034    3.573370
     46          6           0       -3.257928    0.538674    4.899319
     47          1           0       -4.073979   -0.179323    5.059077
     48          1           0       -2.311016   -0.010936    4.762156
     49          1           0       -3.162222    1.188653    5.783885
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489435   0.000000
     3  O    3.724858   1.243415   0.000000
     4  N    3.314713   1.360761   2.315687   0.000000
     5  H    3.954380   1.108481   2.057961   2.057841   0.000000
     6  C    3.840146   2.466706   3.635954   1.463166   2.563542
     7  H    4.255749   2.552320   3.795393   2.104794   2.159225
     8  H    3.362918   3.156730   4.239360   2.109262   3.293637
     9  H    4.792237   3.209063   4.309899   2.109164   3.361216
    10  C    3.455398   2.470048   2.865220   1.464838   3.418843
    11  H    3.158758   3.256000   3.745029   2.100988   4.087566
    12  H    3.320308   2.567656   2.459402   2.102122   3.651875
    13  H    4.553458   3.101654   3.468776   2.119076   3.994527
    14  C    3.545379   6.486060   6.156711   6.390100   7.167725
    15  O    3.929882   7.198017   7.008611   7.059276   7.758478
    16  N    3.297728   5.762813   5.255358   5.930585   6.425649
    17  H    3.913377   6.622594   6.281812   6.374977   7.424040
    18  C    3.527033   5.872932   5.382115   6.280527   6.319338
    19  H    3.210540   5.018290   4.491648   5.598724   5.397101
    20  H    4.620989   6.742667   6.125377   7.248590   7.177998
    21  H    3.469244   6.233007   5.940169   6.538494   6.569542
    22  C    3.681447   5.287160   4.555637   5.523214   6.102212
    23  H    4.690620   6.001353   5.113988   6.389205   6.787974
    24  H    3.190599   4.248953   3.467571   4.616982   5.059096
    25  H    3.967585   5.559830   4.897599   5.564916   6.484721
    26  C    3.644759   5.432265   6.151819   4.322789   5.869928
    27  O    4.119165   5.816206   6.686418   4.771154   6.032126
    28  N    3.278881   5.760143   6.244291   4.813273   6.319774
    29  H    3.997113   5.124400   5.843220   3.876586   5.663184
    30  C    3.634031   5.879896   6.128696   4.959465   6.647384
    31  H    4.653336   6.969138   7.185129   6.025863   7.747339
    32  H    3.149265   5.640949   5.697648   4.940331   6.450876
    33  H    3.893131   5.446909   5.721896   4.411948   6.281436
    34  C    3.537753   6.586402   7.022874   5.827797   7.030082
    35  H    4.634778   7.636048   8.079895   6.807968   8.088692
    36  H    3.467500   6.452915   7.010132   5.761332   6.728285
    37  H    3.251652   6.565601   6.819934   5.978484   7.067539
    38  C    3.481138   4.974934   5.291451   5.435643   4.635268
    39  O    3.784379   4.284342   4.617150   4.965077   3.764831
    40  N    3.292583   5.290808   5.810911   5.414589   5.009954
    41  H    3.891419   5.712042   5.830144   6.230684   5.480613
    42  C    3.482931   4.921379   5.720782   4.813010   4.542781
    43  H    3.368418   4.007826   4.883209   4.013301   3.512946
    44  H    4.581408   5.798635   6.662520   5.688394   5.283937
    45  H    3.199916   5.040787   5.870190   4.649774   4.857509
    46  C    3.709691   6.404190   6.839207   6.378711   6.281626
    47  H    4.088712   6.855331   7.114718   6.979089   6.770320
    48  H    3.185148   6.236791   6.669572   6.024000   6.282456
    49  H    4.678140   7.234106   7.772531   7.138156   7.020892
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098849   0.000000
     8  H    1.102004   1.796652   0.000000
     9  H    1.102295   1.795694   1.791908   0.000000
    10  C    2.488733   3.417224   2.778571   2.742313   0.000000
    11  H    2.629812   3.666978   2.473632   2.885878   1.101246
    12  H    3.394796   4.192583   3.654887   3.783065   1.097830
    13  H    2.904645   3.837917   3.369230   2.734575   1.102541
    14  C    7.172473   7.742066   6.654933   7.966080   5.887946
    15  O    7.649571   8.156194   6.998626   8.481054   6.681903
    16  N    6.882851   7.348462   6.544791   7.737702   5.577289
    17  H    7.197257   7.896556   6.696550   7.871179   5.633053
    18  C    7.156762   7.413807   6.851634   8.126112   6.256791
    19  H    6.521065   6.681051   6.348258   7.515122   5.753131
    20  H    8.186925   8.415753   7.927093   9.152836   7.203846
    21  H    7.216906   7.430083   6.775872   8.219260   6.605377
    22  C    6.697119   7.226016   6.559082   7.452037   5.009265
    23  H    7.630860   8.106313   7.567189   8.383008   5.906843
    24  H    5.855947   6.320197   5.843245   6.630777   4.261076
    25  H    6.726381   7.398370   6.554680   7.360372   4.777795
    26  C    3.899260   4.699771   2.907804   4.199803   4.001370
    27  O    4.015437   4.592676   2.932571   4.341411   4.789935
    28  N    4.750781   5.555864   3.826208   5.193255   4.294137
    29  H    3.508935   4.462627   2.714218   3.577968   3.350557
    30  C    5.247882   6.179001   4.534127   5.598137   4.050715
    31  H    6.268208   7.215796   5.525256   6.537697   5.045480
    32  H    5.473238   6.337293   4.849434   5.970520   4.060291
    33  H    4.744711   5.765441   4.182118   4.933297   3.320717
    34  C    5.737075   6.372667   4.747690   6.326367   5.497017
    35  H    6.644652   7.308991   5.625125   7.136682   6.388387
    36  H    5.487920   5.964128   4.451812   6.153342   5.706171
    37  H    6.129147   6.743922   5.235959   6.814329   5.604454
    38  C    5.537005   5.203106   5.209017   6.629851   6.308668
    39  O    5.115833   4.619931   5.031058   6.193955   6.025514
    40  N    5.251116   5.016775   4.683614   6.293526   6.201740
    41  H    6.480068   6.222346   6.129705   7.579193   6.965490
    42  C    4.292989   3.990133   3.672904   5.251201   5.718332
    43  H    3.512615   3.057036   3.127172   4.508793   5.101018
    44  H    4.982056   4.539917   4.381703   5.849863   6.665457
    45  H    4.055842   4.010924   3.211125   4.929070   5.337372
    46  C    6.236072   6.175078   5.496082   7.229407   6.920241
    47  H    7.017953   6.957054   6.348756   8.048712   7.470733
    48  H    5.910714   6.040975   5.070228   6.845964   6.361987
    49  H    6.804792   6.679105   6.008446   7.744029   7.730314
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.796075   0.000000
    13  H    1.791209   1.798159   0.000000
    14  C    5.484915   5.275593   6.826210   0.000000
    15  O    6.160592   6.205627   7.661134   1.242911   0.000000
    16  N    5.423923   4.827141   6.537627   1.360870   2.316045
    17  H    5.179667   5.005605   6.460995   1.108172   2.057545
    18  C    6.196529   5.569127   7.282134   2.469409   2.864870
    19  H    5.849659   5.076824   6.773422   3.267083   3.771703
    20  H    7.200983   6.437080   8.194242   3.084700   3.428965
    21  H    6.406654   6.064905   7.675890   2.573798   2.476218
    22  C    5.073869   4.073016   5.840472   2.465952   3.636002
    23  H    6.074512   4.903857   6.672728   3.175053   4.278294
    24  H    4.498451   3.314389   5.112521   3.194722   4.278756
    25  H    4.743625   3.848603   5.501032   2.549671   3.791652
    26  C    2.962107   4.606659   4.596305   5.644358   5.738858
    27  O    3.862177   5.487379   5.387874   6.412580   6.336189
    28  N    3.256598   4.592301   5.015648   4.465768   4.524129
    29  H    2.306214   4.075875   3.742891   6.072421   6.363991
    30  C    3.076154   4.116417   4.664498   4.030814   4.390880
    31  H    4.069392   5.090507   5.549286   4.426049   4.668929
    32  H    3.272403   3.849042   4.805926   2.990658   3.514892
    33  H    2.356052   3.493336   3.755439   4.746951   5.284478
    34  C    4.540467   5.675957   6.329501   4.144574   3.803694
    35  H    5.372969   6.594150   7.136935   4.786786   4.315841
    36  H    4.814314   5.978375   6.584542   4.691999   4.249676
    37  H    4.755114   5.570658   6.511734   3.105646   2.706372
    38  C    6.257732   6.264809   7.344514   5.730833   5.610590
    39  O    6.174748   6.001143   6.987747   6.397663   6.477939
    40  N    5.932646   6.322782   7.230481   5.668059   5.383255
    41  H    6.900524   6.777090   8.033449   5.416354   5.206313
    42  C    5.409233   6.087627   6.643617   6.431455   6.243379
    43  H    4.974269   5.500524   5.978595   6.657274   6.666994
    44  H    6.347648   7.108167   7.531551   7.428701   7.140596
    45  H    4.838947   5.778503   6.243076   6.058908   5.847460
    46  C    6.468823   6.986803   7.972842   5.231955   4.650175
    47  H    7.082942   7.386742   8.555473   4.983900   4.326928
    48  H    5.783823   6.438320   7.401899   4.538929   3.947766
    49  H    7.221682   7.897563   8.745743   6.187377   5.494209
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056648   0.000000
    18  C    1.464872   3.417392   0.000000
    19  H    2.099287   4.089804   1.101655   0.000000
    20  H    2.121381   3.988476   1.102843   1.791009   0.000000
    21  H    2.102357   3.652920   1.097562   1.797700   1.797051
    22  C    1.463132   2.560143   2.490784   2.616971   2.926201
    23  H    2.115344   3.303198   2.798922   2.945978   2.813664
    24  H    2.106673   3.349251   2.730761   2.397825   3.324697
    25  H    2.104583   2.154012   3.417765   3.634593   3.884734
    26  C    6.140250   5.471390   6.801911   6.760392   7.877372
    27  O    6.878038   6.399049   7.332658   7.243989   8.421241
    28  N    5.146284   4.248079   5.934247   6.078919   6.962251
    29  H    6.461261   5.760060   7.229676   7.104707   8.294803
    30  C    4.742725   3.478486   5.826561   6.039754   6.770385
    31  H    5.343486   3.739913   6.504652   6.853154   7.375174
    32  H    3.675703   2.424269   4.835074   5.111358   5.736488
    33  H    5.244427   4.129605   6.349013   6.412110   7.299646
    34  C    5.007743   4.174937   5.610961   5.929214   6.587820
    35  H    5.814894   4.713931   6.475991   6.896266   7.389908
    36  H    5.386961   4.925655   5.727091   5.937005   6.732437
    37  H    4.055595   3.237259   4.689183   5.138666   5.611924
    38  C    5.213934   6.574535   4.323656   3.766903   5.093357
    39  O    5.696317   7.159415   4.843753   4.046930   5.580328
    40  N    5.461441   6.437503   4.820989   4.476623   5.710834
    41  H    4.868856   6.373452   3.764904   3.345855   4.379653
    42  C    6.299160   7.023029   5.898383   5.477159   6.876161
    43  H    6.350783   7.188437   5.977324   5.382021   6.957697
    44  H    7.334815   8.043432   6.858891   6.449812   7.793926
    45  H    6.127437   6.532061   5.963937   5.677209   7.002099
    46  C    5.320706   6.050640   4.740178   4.732473   5.577159
    47  H    4.997924   5.930273   4.208250   4.310861   4.895230
    48  H    4.838099   5.245718   4.555180   4.674830   5.478118
    49  H    6.375534   6.975888   5.801740   5.818969   6.596420
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391436   0.000000
    23  H    3.831034   1.102403   0.000000
    24  H    3.610794   1.102511   1.789799   0.000000
    25  H    4.178981   1.098914   1.797632   1.795226   0.000000
    26  C    6.537129   6.462562   7.564723   6.200341   6.162196
    27  O    6.928738   7.335142   8.431965   7.014808   7.162142
    28  N    5.663845   5.590793   6.679609   5.532789   5.240654
    29  H    7.118034   6.537236   7.622445   6.198986   6.137461
    30  C    5.783932   4.926169   5.971481   5.002885   4.332127
    31  H    6.424449   5.578566   6.559423   5.817832   4.876364
    32  H    4.881440   3.877251   4.911253   4.061657   3.308373
    33  H    6.437283   5.142753   6.171951   5.063346   4.482012
    34  C    5.102755   5.809728   6.847137   5.899807   5.611368
    35  H    5.926758   6.645599   7.651417   6.840557   6.354512
    36  H    5.095995   6.266302   7.298782   6.229446   6.230355
    37  H    4.191551   4.981581   5.967824   5.206682   4.839393
    38  C    3.834522   5.950818   6.589866   5.417825   6.700926
    39  O    4.604110   6.159604   6.748834   5.438787   6.929649
    40  N    4.158228   6.317194   7.104875   5.873649   6.900568
    41  H    3.184928   5.750821   6.269903   5.367889   6.589619
    42  C    5.344414   6.976186   7.865156   6.420160   7.412536
    43  H    5.608508   6.812663   7.679059   6.109935   7.260786
    44  H    6.232360   8.058662   8.930951   7.507056   8.506518
    45  H    5.398151   6.816929   7.789357   6.346387   7.103550
    46  C    3.840305   6.430680   7.220215   6.230640   6.948919
    47  H    3.218762   6.214336   6.878962   6.116319   6.838766
    48  H    3.694332   5.948948   6.825840   5.833183   6.320065
    49  H    4.857257   7.510910   8.307865   7.320371   7.992964
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242681   0.000000
    28  N    1.360907   2.314889   0.000000
    29  H    1.107866   2.057571   2.057069   0.000000
    30  C    2.466221   3.635006   1.463256   2.562596   0.000000
    31  H    3.134681   4.225668   2.116737   3.258268   1.103027
    32  H    3.233287   4.325763   2.108318   3.395500   1.101849
    33  H    2.555125   3.797536   2.103680   2.164069   1.098584
    34  C    2.462438   2.850916   1.465164   3.413453   2.497007
    35  H    3.022052   3.320000   2.123516   3.939894   2.953607
    36  H    2.585902   2.501929   2.100493   3.659589   3.388692
    37  H    3.293556   3.809188   2.098455   4.116330   2.613575
    38  C    6.214385   6.017801   6.110849   6.807908   6.890785
    39  O    6.588817   6.421235   6.643542   7.014302   7.344344
    40  N    5.300018   4.942703   5.264487   6.029832   6.255956
    41  H    6.842706   6.732072   6.536971   7.484312   7.214401
    42  C    4.615006   4.045823   4.948531   5.277045   6.089015
    43  H    4.754150   4.311881   5.206175   5.205156   6.207366
    44  H    5.316287   4.537966   5.761805   6.008732   7.000139
    45  H    3.604883   2.989752   3.975888   4.359767   5.215913
    46  C    5.334666   4.989730   5.043994   6.235995   6.069981
    47  H    6.166681   5.952765   5.697941   7.043999   6.555850
    48  H    4.444425   4.221254   4.021488   5.388488   5.049760
    49  H    5.745358   5.189652   5.576204   6.712602   6.740766
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787459   0.000000
    33  H    1.798749   1.793951   0.000000
    34  C    2.813581   2.734995   3.420661   0.000000
    35  H    2.856863   3.352409   3.907435   1.103453   0.000000
    36  H    3.843977   3.599826   4.170689   1.097390   1.796074
    37  H    2.941374   2.396591   3.631131   1.099560   1.790885
    38  C    7.813114   6.442744   7.269828   5.765934   6.746318
    39  O    8.346950   6.915464   7.551828   6.542051   7.576405
    40  N    7.116484   5.974371   6.710924   4.803127   5.716577
    41  H    8.069714   6.638770   7.696770   6.029700   6.964144
    42  C    6.982607   6.045006   6.389835   4.749372   5.639448
    43  H    7.191245   6.146606   6.333955   5.286241   6.251151
    44  H    7.841222   7.033358   7.309355   5.476587   6.252174
    45  H    6.055655   5.301922   5.553390   3.798365   4.650209
    46  C    6.762033   5.775911   6.736559   4.201561   4.956775
    47  H    7.210002   6.100001   7.277457   4.777792   5.503569
    48  H    5.691211   4.801833   5.780102   3.107186   3.876810
    49  H    7.359069   6.572318   7.426884   4.637045   5.228380
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796198   0.000000
    38  C    5.095744   5.508783   0.000000
    39  O    5.912390   6.341012   1.243041   0.000000
    40  N    3.987684   4.726100   1.360987   2.315086   0.000000
    41  H    5.441996   5.594340   1.108647   2.058288   2.058103
    42  C    3.849235   4.984558   2.470382   2.863747   1.465625
    43  H    4.514891   5.500750   2.574228   2.470617   2.104720
    44  H    4.476747   5.805301   3.091693   3.442304   2.119845
    45  H    2.883551   4.191682   3.262713   3.760340   2.100216
    46  C    3.378896   4.037512   2.466798   3.634689   1.463267
    47  H    4.114901   4.377233   2.554700   3.796962   2.106105
    48  H    2.342805   2.956660   3.150813   4.226622   2.108755
    49  H    3.685381   4.645049   3.216813   4.320839   2.111567
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419431   0.000000
    43  H    3.655053   1.097802   0.000000
    44  H    3.994094   1.102530   1.797655   0.000000
    45  H    4.088118   1.100667   1.795793   1.790073   0.000000
    46  C    2.564169   2.488332   3.385698   2.938128   2.601622
    47  H    2.162016   3.418402   4.186292   3.871412   3.641810
    48  H    3.293041   2.763050   3.613498   3.394215   2.433756
    49  H    3.365317   2.756366   3.799257   2.794410   2.853752
                   46         47         48         49
    46  C    0.000000
    47  H    1.098627   0.000000
    48  H    1.103416   1.795705   0.000000
    49  H    1.101856   1.796665   1.790948   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144035      0.1944609      0.1848359
 Leave Link  202 at Mon Nov 14 04:00:10 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.2517681825 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842923091 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0674758734 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4034
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.45D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     219
 GePol: Fraction of low-weight points (<1% of avg)   =       5.43%
 GePol: Cavity surface area                          =    467.661 Ang**2
 GePol: Cavity volume                                =    458.247 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040011748 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.0634746985 Hartrees.
 Leave Link  301 at Mon Nov 14 04:00:10 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37493.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:00:12 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:00:12 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000246    0.000054   -0.000012
         Rot=    1.000000    0.000000   -0.000004    0.000014 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:00:12 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48819468.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.44D-15 for   3639.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.29D-15 for   2081   1130.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   3639.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.52D-08 for   2459   2456.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.10D-15 for   2225.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.19D-14 for   1961    663.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for    633.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.08D-16 for   1932    320.
 E= -1013.45141006803    
 DIIS: error= 2.71D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141006803     IErMin= 1 ErrMin= 2.71D-05
 ErrMax= 2.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-06 BMatP= 1.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.97D-06 MaxDP=3.41D-04              OVMax= 4.30D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.97D-06    CP:  1.00D+00
 E= -1013.45141257969     Delta-E=       -0.000002511653 Rises=F Damp=F
 DIIS: error= 4.48D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141257969     IErMin= 2 ErrMin= 4.48D-06
 ErrMax= 4.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-08 BMatP= 1.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.220D-01 0.978D+00
 Coeff:      0.220D-01 0.978D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.38D-06 MaxDP=5.53D-05 DE=-2.51D-06 OVMax= 8.60D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.35D-06    CP:  1.00D+00  9.62D-01
 E= -1013.45141253446     Delta-E=        0.000000045229 Rises=F Damp=F
 DIIS: error= 9.96D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141257969     IErMin= 2 ErrMin= 4.48D-06
 ErrMax= 9.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.48D-08 BMatP= 2.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.428D-02 0.651D+00 0.345D+00
 Coeff:      0.428D-02 0.651D+00 0.345D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.69D-07 MaxDP=5.68D-05 DE= 4.52D-08 OVMax= 8.66D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.21D-07    CP:  1.00D+00  9.74D-01  3.99D-01
 E= -1013.45141259582     Delta-E=       -0.000000061366 Rises=F Damp=F
 DIIS: error= 4.51D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141259582     IErMin= 2 ErrMin= 4.48D-06
 ErrMax= 4.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-08 BMatP= 2.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.287D-04 0.256D+00 0.262D+00 0.482D+00
 Coeff:      0.287D-04 0.256D+00 0.262D+00 0.482D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.02D-07 MaxDP=1.57D-05 DE=-6.14D-08 OVMax= 2.86D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.20D-07    CP:  1.00D+00  9.77D-01  4.57D-01  4.94D-01
 E= -1013.45141260568     Delta-E=       -0.000000009855 Rises=F Damp=F
 DIIS: error= 1.35D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141260568     IErMin= 5 ErrMin= 1.35D-06
 ErrMax= 1.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.17D-10 BMatP= 1.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.721D-04 0.143D+00 0.158D+00 0.319D+00 0.380D+00
 Coeff:      0.721D-04 0.143D+00 0.158D+00 0.319D+00 0.380D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.82D-08 MaxDP=3.46D-06 DE=-9.85D-09 OVMax= 4.43D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.87D-08    CP:  1.00D+00  9.78D-01  4.53D-01  5.09D-01  6.47D-01
 E= -1013.45141260615     Delta-E=       -0.000000000471 Rises=F Damp=F
 DIIS: error= 1.18D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141260615     IErMin= 6 ErrMin= 1.18D-07
 ErrMax= 1.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.91D-12 BMatP= 6.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.138D-05 0.479D-01 0.546D-01 0.115D+00 0.173D+00 0.610D+00
 Coeff:     -0.138D-05 0.479D-01 0.546D-01 0.115D+00 0.173D+00 0.610D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.15D-08 MaxDP=4.32D-07 DE=-4.71D-10 OVMax= 5.49D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.32D-09    CP:  1.00D+00  9.78D-01  4.55D-01  5.11D-01  6.48D-01
                    CP:  8.44D-01
 E= -1013.45141260617     Delta-E=       -0.000000000027 Rises=F Damp=F
 DIIS: error= 4.07D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141260617     IErMin= 7 ErrMin= 4.07D-08
 ErrMax= 4.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-12 BMatP= 9.91D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-04 0.133D-01 0.156D-01 0.346D-01 0.600D-01 0.346D+00
 Coeff-Com:  0.531D+00
 Coeff:     -0.129D-04 0.133D-01 0.156D-01 0.346D-01 0.600D-01 0.346D+00
 Coeff:      0.531D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.72D-09 MaxDP=1.60D-07 DE=-2.68D-11 OVMax= 1.78D-07

 Error on total polarization charges =  0.04319
 SCF Done:  E(RB97D) =  -1013.45141261     A.U. after    7 cycles
            NFock=  7  Conv=0.37D-08     -V/T= 2.0213
 KE= 9.923517056246D+02 PE=-6.029680876593D+03 EE= 2.174814283664D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:01:46 2016, MaxMem=  2952790016 cpu:      1064.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37493.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 04:01:55 2016, MaxMem=  2952790016 cpu:        97.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:01:55 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:02:32 2016, MaxMem=  2952790016 cpu:       441.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24982405D+00-2.54575557D+00 3.32128265D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000092092    0.000053958    0.000023170
      2        6          -0.000011339    0.000004468    0.000007162
      3        8           0.000020372    0.000038291   -0.000007825
      4        7           0.000020320    0.000019738    0.000032882
      5        1           0.000020106    0.000032515   -0.000005123
      6        6           0.000000408    0.000061466    0.000045787
      7        1          -0.000000055    0.000014777    0.000039389
      8        1          -0.000038714    0.000024997    0.000057407
      9        1           0.000005842    0.000024438    0.000039188
     10        6           0.000036138    0.000026515   -0.000019101
     11        1           0.000015884    0.000031635    0.000018982
     12        1           0.000013783    0.000026879    0.000033314
     13        1           0.000018923    0.000033215    0.000017633
     14        6           0.000000325    0.000002359   -0.000003098
     15        8          -0.000011820   -0.000035790   -0.000033201
     16        7           0.000005761    0.000008864   -0.000027935
     17        1           0.000010269    0.000006852   -0.000030444
     18        6          -0.000032033   -0.000002856   -0.000016658
     19        1           0.000003493    0.000013306   -0.000052729
     20        1           0.000006222   -0.000007940   -0.000049115
     21        1           0.000012020    0.000000718   -0.000047954
     22        6           0.000023704    0.000022495   -0.000052862
     23        1           0.000024637    0.000009466   -0.000045199
     24        1           0.000030562    0.000008252   -0.000031569
     25        1           0.000018862    0.000014522   -0.000033066
     26        6           0.000012307   -0.000000740    0.000034378
     27        8          -0.000014344   -0.000017689    0.000032792
     28        7          -0.000003344   -0.000027221    0.000016719
     29        1          -0.000013332    0.000010013    0.000022938
     30        6           0.000011052   -0.000034188    0.000011066
     31        1           0.000020421    0.000021798   -0.000004327
     32        1          -0.000000607   -0.000000147   -0.000008133
     33        1          -0.000009376    0.000020290    0.000006810
     34        6           0.000005128   -0.000043705    0.000005623
     35        1          -0.000019171   -0.000025154    0.000006538
     36        1          -0.000025306   -0.000021504    0.000012239
     37        1          -0.000015867   -0.000014675   -0.000013902
     38        6          -0.000041018   -0.000003008   -0.000097418
     39        8          -0.000011581   -0.000036721    0.000027776
     40        7           0.000011037   -0.000054042    0.000047982
     41        1          -0.000019211   -0.000012088   -0.000021354
     42        6          -0.000118023   -0.000056142    0.000107800
     43        1          -0.000011341   -0.000014255    0.000019117
     44        1           0.000057364    0.000044195   -0.000053707
     45        1           0.000007155   -0.000017786    0.000020400
     46        6          -0.000049089   -0.000037950   -0.000018784
     47        1          -0.000017204   -0.000034263   -0.000017405
     48        1          -0.000010525   -0.000035206   -0.000008539
     49        1          -0.000030886   -0.000042953    0.000012354
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000118023 RMS     0.000031461
 Leave Link  716 at Mon Nov 14 04:02:32 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000042751 RMS     0.000005243
 Search for a local minimum.
 Step number  86 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .52431D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   56   60   61   62   67
                                                     68   69   71   73   74
                                                     75   76   77   78   79
                                                     80   81   82   83   84
                                                     85   86
 DE= -7.07D-07 DEPred=-3.30D-07 R= 2.14D+00
 Trust test= 2.14D+00 RLast= 2.91D-02 DXMaxT set to 3.55D-01
 ITU=  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1
 ITU=  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1
 ITU=  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  0
     Eigenvalues ---    0.00012   0.00055   0.00101   0.00116   0.00141
     Eigenvalues ---    0.00173   0.00192   0.00216   0.00267   0.00309
     Eigenvalues ---    0.00382   0.00428   0.00488   0.00586   0.00672
     Eigenvalues ---    0.00764   0.00787   0.00826   0.00845   0.01014
     Eigenvalues ---    0.01034   0.01104   0.01173   0.01199   0.01241
     Eigenvalues ---    0.01304   0.01448   0.01482   0.01507   0.01582
     Eigenvalues ---    0.01701   0.01733   0.01791   0.01825   0.01872
     Eigenvalues ---    0.01914   0.02005   0.02030   0.02105   0.02152
     Eigenvalues ---    0.02216   0.02323   0.02668   0.02671   0.02875
     Eigenvalues ---    0.03083   0.03257   0.03405   0.03895   0.04114
     Eigenvalues ---    0.04479   0.04759   0.05294   0.05574   0.05850
     Eigenvalues ---    0.06086   0.06218   0.06326   0.06424   0.06726
     Eigenvalues ---    0.07045   0.07112   0.07464   0.07665   0.07768
     Eigenvalues ---    0.07982   0.08095   0.08206   0.08282   0.08327
     Eigenvalues ---    0.08522   0.08719   0.08981   0.09054   0.09307
     Eigenvalues ---    0.09418   0.09681   0.09813   0.09902   0.09991
     Eigenvalues ---    0.10157   0.10419   0.10477   0.10808   0.10926
     Eigenvalues ---    0.11172   0.11266   0.11363   0.11583   0.13268
     Eigenvalues ---    0.13430   0.14230   0.14887   0.15152   0.15427
     Eigenvalues ---    0.15572   0.15984   0.21889   0.22541   0.22981
     Eigenvalues ---    0.23439   0.24582   0.24723   0.25736   0.26389
     Eigenvalues ---    0.27007   0.27380   0.28279   0.29236   0.29621
     Eigenvalues ---    0.29841   0.30707   0.32798   0.32825   0.32827
     Eigenvalues ---    0.32952   0.33298   0.33349   0.33366   0.33375
     Eigenvalues ---    0.33394   0.33422   0.33508   0.33547   0.33697
     Eigenvalues ---    0.33796   0.33820   0.33839   0.33925   0.33956
     Eigenvalues ---    0.34042   0.34195   0.34246   0.37300   0.38894
     Eigenvalues ---    0.40602   0.40919   0.85948   0.86127   0.86461
     Eigenvalues ---    0.90974
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    86   85   84   83   82
 RFO step:  Lambda=-1.00702946D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.39D-06 SmlDif=  1.00D-05
 RMS Error=  0.3197057258D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.15083   -1.09965   -0.50505    0.55573   -0.10187
 Iteration  1 RMS(Cart)=  0.00057660 RMS(Int)=  0.00000207
 Iteration  2 RMS(Cart)=  0.00000035 RMS(Int)=  0.00000043
 ITry= 1 IFail=0 DXMaxC= 5.39D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59408   0.00001   0.00054   0.00046   0.00100   6.59507
    R2        6.26390   0.00000   0.00055   0.00022   0.00077   6.26467
    R3        7.25683   0.00000   0.00070  -0.00075  -0.00005   7.25677
    R4        6.35499  -0.00001   0.00046  -0.00172  -0.00126   6.35374
    R5        6.52976   0.00000   0.00038  -0.00005   0.00033   6.53009
    R6        5.96919   0.00000   0.00174   0.00066   0.00240   5.97159
    R7        6.69979   0.00000   0.00026   0.00034   0.00060   6.70040
    R8        6.23180  -0.00001  -0.00050  -0.00017  -0.00068   6.23113
    R9        6.66513   0.00000  -0.00075  -0.00046  -0.00121   6.66392
   R10        6.06704   0.00000  -0.00016   0.00045   0.00029   6.06734
   R11        6.95693   0.00000  -0.00069  -0.00007  -0.00076   6.95616
   R12        6.02936   0.00000  -0.00046   0.00005  -0.00041   6.02895
   R13        6.88760  -0.00001   0.00049   0.00019   0.00068   6.88827
   R14        6.19619   0.00001   0.00048   0.00004   0.00051   6.19670
   R15        6.86732   0.00001  -0.00020  -0.00011  -0.00032   6.86701
   R16        5.95125   0.00000  -0.00016  -0.00011  -0.00027   5.95098
   R17        6.68538   0.00001   0.00056   0.00031   0.00087   6.68625
   R18        6.57840  -0.00001   0.00014  -0.00025  -0.00011   6.57829
   R19        6.22208  -0.00001   0.00059  -0.00027   0.00032   6.22240
   R20        6.58179   0.00000  -0.00108  -0.00011  -0.00119   6.58060
   R21        6.04697   0.00001  -0.00288   0.00089  -0.00199   6.04498
   R22        7.01030   0.00000   0.00090  -0.00038   0.00052   7.01082
   R23        6.01906  -0.00001   0.00096  -0.00045   0.00051   6.01956
   R24        2.34971   0.00000   0.00001  -0.00001   0.00000   2.34971
   R25        2.57147   0.00002  -0.00001   0.00004   0.00003   2.57150
   R26        2.09473   0.00000   0.00002  -0.00001   0.00000   2.09473
   R27        2.76498   0.00001  -0.00019   0.00003  -0.00016   2.76482
   R28        2.76814   0.00001  -0.00013   0.00007  -0.00007   2.76808
   R29        2.07652   0.00000   0.00000   0.00001   0.00001   2.07653
   R30        2.08249   0.00001   0.00014  -0.00007   0.00007   2.08255
   R31        2.08304   0.00000   0.00004  -0.00004   0.00000   2.08304
   R32        2.08105   0.00000   0.00003  -0.00001   0.00002   2.08107
   R33        2.07460   0.00000   0.00002   0.00000   0.00002   2.07461
   R34        2.08350   0.00000   0.00002  -0.00001   0.00001   2.08351
   R35        2.34876   0.00000   0.00000   0.00000   0.00000   2.34876
   R36        2.57167   0.00001   0.00001  -0.00001   0.00000   2.57167
   R37        2.09414   0.00000  -0.00001   0.00000  -0.00001   2.09413
   R38        2.76821   0.00001   0.00004   0.00003   0.00007   2.76827
   R39        2.76492   0.00001   0.00002   0.00001   0.00004   2.76496
   R40        2.08183   0.00001   0.00005  -0.00003   0.00002   2.08184
   R41        2.08407   0.00000   0.00000   0.00000   0.00000   2.08407
   R42        2.07409   0.00000   0.00000  -0.00001  -0.00001   2.07408
   R43        2.08324   0.00000   0.00001   0.00000   0.00001   2.08325
   R44        2.08344   0.00000   0.00004  -0.00002   0.00002   2.08347
   R45        2.07665   0.00000   0.00001   0.00000   0.00000   2.07665
   R46        2.34833  -0.00001  -0.00003  -0.00001  -0.00005   2.34828
   R47        2.57174   0.00000   0.00006   0.00000   0.00006   2.57180
   R48        2.09356   0.00000   0.00000   0.00001   0.00001   2.09357
   R49        2.76515  -0.00001  -0.00002   0.00002   0.00000   2.76515
   R50        2.76876  -0.00001  -0.00005  -0.00001  -0.00005   2.76871
   R51        2.08442   0.00000   0.00000  -0.00001   0.00000   2.08441
   R52        2.08219   0.00000  -0.00008   0.00003  -0.00005   2.08214
   R53        2.07602   0.00000   0.00002   0.00000   0.00002   2.07605
   R54        2.08522   0.00000   0.00000  -0.00001   0.00000   2.08522
   R55        2.07377   0.00000   0.00004   0.00000   0.00004   2.07380
   R56        2.07787   0.00000   0.00001   0.00000   0.00001   2.07788
   R57        2.34901  -0.00004   0.00012  -0.00006   0.00006   2.34907
   R58        2.57189   0.00004  -0.00007   0.00005  -0.00002   2.57187
   R59        2.09504   0.00000   0.00001  -0.00002  -0.00001   2.09503
   R60        2.76963   0.00002   0.00007  -0.00002   0.00004   2.76967
   R61        2.76517  -0.00001  -0.00011   0.00005  -0.00007   2.76511
   R62        2.07455   0.00000  -0.00001   0.00002   0.00001   2.07456
   R63        2.08348   0.00000  -0.00006   0.00001  -0.00005   2.08343
   R64        2.07996   0.00001  -0.00003   0.00003   0.00000   2.07996
   R65        2.07610   0.00000   0.00000  -0.00001  -0.00001   2.07610
   R66        2.08515   0.00001   0.00003   0.00002   0.00005   2.08520
   R67        2.08221   0.00000   0.00004  -0.00001   0.00004   2.08224
    A1        0.68004   0.00000  -0.00009   0.00002  -0.00006   0.67997
    A2        0.95686   0.00000  -0.00011  -0.00002  -0.00012   0.95674
    A3        0.72719   0.00000  -0.00013  -0.00001  -0.00014   0.72705
    A4        1.01920   0.00000  -0.00015  -0.00004  -0.00019   1.01901
    A5        2.34637   0.00000   0.00006  -0.00001   0.00005   2.34642
    A6        2.02797   0.00000  -0.00002  -0.00001  -0.00003   2.02793
    A7        1.98361   0.00000  -0.00018  -0.00001  -0.00019   1.98342
    A8        1.69157  -0.00001  -0.00032  -0.00010  -0.00042   1.69115
    A9        1.65750   0.00000  -0.00002  -0.00001  -0.00003   1.65747
   A10        1.37635   0.00000  -0.00007  -0.00001  -0.00008   1.37627
   A11        1.73066   0.00000   0.00020   0.00005   0.00025   1.73091
   A12        2.03535   0.00000   0.00021   0.00001   0.00022   2.03557
   A13        1.94163   0.00000   0.00019  -0.00006   0.00014   1.94177
   A14        2.02923   0.00000   0.00026  -0.00007   0.00019   2.02942
   A15        2.42944   0.00000   0.00015   0.00003   0.00018   2.42962
   A16        1.58955  -0.00001  -0.00003   0.00026   0.00023   1.58978
   A17        1.78905   0.00000   0.00017   0.00028   0.00045   1.78950
   A18        1.56722   0.00000   0.00034   0.00022   0.00056   1.56778
   A19        1.70527   0.00000   0.00039   0.00029   0.00069   1.70595
   A20        2.19236   0.00000   0.00011   0.00031   0.00042   2.19278
   A21        2.41240   0.00000   0.00031   0.00027   0.00058   2.41298
   A22        0.64259   0.00000  -0.00007   0.00010   0.00004   0.64263
   A23        0.65939   0.00000  -0.00011  -0.00004  -0.00015   0.65923
   A24        2.39653   0.00000   0.00021   0.00002   0.00022   2.39675
   A25        2.22534   0.00000   0.00006  -0.00002   0.00004   2.22538
   A26        2.32545   0.00000  -0.00014  -0.00002  -0.00016   2.32529
   A27        2.06261   0.00000  -0.00033  -0.00013  -0.00046   2.06214
   A28        1.81773   0.00000   0.00001  -0.00002  -0.00001   1.81772
   A29        1.57785   0.00000  -0.00003  -0.00003  -0.00006   1.57780
   A30        1.33754   0.00000   0.00020   0.00006   0.00026   1.33781
   A31        1.63659   0.00000   0.00026   0.00003   0.00029   1.63688
   A32        1.58752   0.00000   0.00030  -0.00001   0.00029   1.58781
   A33        1.73932   0.00000   0.00040  -0.00001   0.00039   1.73971
   A34        2.03309   0.00000   0.00017   0.00004   0.00021   2.03330
   A35        1.85363   0.00000  -0.00006   0.00027   0.00021   1.85385
   A36        1.92102   0.00000   0.00019   0.00028   0.00048   1.92150
   A37        1.57283   0.00000   0.00029   0.00024   0.00053   1.57336
   A38        1.58935   0.00000   0.00035   0.00032   0.00067   1.59002
   A39        2.27588   0.00000   0.00024   0.00029   0.00053   2.27642
   A40        2.37138   0.00000   0.00054   0.00019   0.00073   2.37212
   A41        0.68852   0.00000  -0.00006   0.00010   0.00004   0.68856
   A42        0.74651   0.00000  -0.00012  -0.00001  -0.00013   0.74638
   A43        2.65964   0.00001   0.00025   0.00012   0.00036   2.66001
   A44        2.60377   0.00000   0.00000   0.00007   0.00007   2.60384
   A45        2.66200   0.00000  -0.00028   0.00000  -0.00028   2.66171
   A46        2.35816  -0.00001  -0.00040  -0.00009  -0.00048   2.35768
   A47        2.19616   0.00000  -0.00005   0.00006   0.00001   2.19616
   A48        1.96296   0.00000  -0.00010   0.00005  -0.00006   1.96291
   A49        1.09481   0.00000   0.00037   0.00009   0.00046   1.09527
   A50        1.45427   0.00001   0.00039   0.00009   0.00047   1.45474
   A51        1.55601   0.00000   0.00042   0.00009   0.00051   1.55652
   A52        1.79136   0.00000   0.00047   0.00011   0.00059   1.79195
   A53        1.78033   0.00000   0.00028   0.00008   0.00035   1.78068
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   A55        1.64943   0.00000   0.00027   0.00018   0.00045   1.64988
   A56        1.24949  -0.00001   0.00031   0.00015   0.00047   1.24996
   A57        1.21606   0.00000   0.00040   0.00023   0.00063   1.21670
   A58        1.94370   0.00000   0.00036   0.00018   0.00054   1.94424
   A59        1.99392   0.00000   0.00064   0.00009   0.00073   1.99465
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   A61        0.77567   0.00001  -0.00003   0.00021   0.00018   0.77585
   A62        2.59806   0.00001   0.00036   0.00032   0.00068   2.59875
   A63        2.76800   0.00001   0.00017   0.00029   0.00046   2.76847
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   A65        2.39409   0.00001   0.00002   0.00022   0.00025   2.39434
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   A67        0.85221   0.00001   0.00047   0.00027   0.00074   0.85294
   A68        1.22762   0.00001   0.00048   0.00027   0.00075   1.22837
   A69        1.40818   0.00001   0.00054   0.00034   0.00087   1.40906
   A70        1.67912   0.00001   0.00057   0.00037   0.00094   1.68006
   A71        1.51679   0.00001   0.00033   0.00019   0.00052   1.51731
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   A89        2.28408   0.00000  -0.00012   0.00028   0.00015   2.28423
   A90        2.33108   0.00000   0.00019   0.00029   0.00048   2.33156
   A91        1.93744   0.00000   0.00026   0.00025   0.00050   1.93795
   A92        1.86008   0.00000   0.00031   0.00031   0.00062   1.86069
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   A109       1.72967   0.00000   0.00016   0.00016   0.00032   1.72999
   A110       2.45368   0.00000   0.00038   0.00003   0.00041   2.45409
   A111       2.29486   0.00000   0.00061  -0.00009   0.00052   2.29538
   A112       0.71333   0.00000   0.00004   0.00000   0.00004   0.71337
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   A119       0.91915   0.00000  -0.00021  -0.00004  -0.00025   0.91889
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   A122       1.95339  -0.00001  -0.00045  -0.00030  -0.00075   1.95264
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   A134       1.75440   0.00000  -0.00019  -0.00023  -0.00042   1.75398
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   A278       1.80918   0.00000   0.00095   0.00023   0.00118   1.81036
   A279       1.75325  -0.00001  -0.00121  -0.00032  -0.00153   1.75172
   A280       2.18975   0.00000   0.00004   0.00004   0.00008   2.18984
   A281       2.13053   0.00001   0.00008  -0.00005   0.00004   2.13057
   A282       1.96283   0.00000  -0.00013   0.00000  -0.00013   1.96271
   A283       2.12296  -0.00001  -0.00004  -0.00001  -0.00005   2.12291
   A284       2.11504   0.00000   0.00000   0.00005   0.00005   2.11510
   A285       2.04219   0.00000   0.00006  -0.00005   0.00000   2.04219
   A286       2.69502   0.00002   0.00028   0.00002   0.00030   2.69532
   A287       1.66404  -0.00002  -0.00033  -0.00002  -0.00035   1.66369
   A288       1.92605   0.00000  -0.00008  -0.00004  -0.00012   1.92593
   A289       1.91556  -0.00001   0.00003   0.00001   0.00003   1.91559
   A290       1.91254   0.00000   0.00003   0.00000   0.00003   1.91258
   A291       1.89064   0.00001   0.00003  -0.00002   0.00001   1.89065
   A292       1.91243   0.00000   0.00003   0.00000   0.00003   1.91246
   A293       1.90639   0.00000  -0.00003   0.00005   0.00002   1.90641
   A294       1.35054   0.00000  -0.00010   0.00015   0.00004   1.35058
   A295       1.15373   0.00000  -0.00009  -0.00008  -0.00018   1.15355
   A296       1.93276   0.00000   0.00018  -0.00001   0.00017   1.93292
   A297       1.90707   0.00000   0.00000   0.00000   0.00000   1.90707
   A298       1.90201   0.00000  -0.00012   0.00000  -0.00012   1.90188
   A299       1.90920   0.00000   0.00001   0.00004   0.00005   1.90925
   A300       1.89831   0.00000   0.00001   0.00001   0.00002   1.89833
   A301       1.91441   0.00000  -0.00007  -0.00004  -0.00011   1.91430
   A302       1.64691   0.00001  -0.00014   0.00000  -0.00014   1.64676
   A303       1.80559   0.00001  -0.00015   0.00023   0.00009   1.80568
   A304       2.18943   0.00001   0.00014   0.00000   0.00014   2.18957
   A305       2.13005  -0.00001  -0.00014   0.00000  -0.00015   2.12990
   A306       1.96334  -0.00001   0.00000   0.00001   0.00001   1.96335
   A307       2.12587  -0.00001  -0.00012  -0.00005  -0.00017   2.12570
   A308       2.12369   0.00000   0.00010   0.00000   0.00010   2.12378
   A309       2.03038   0.00001  -0.00003   0.00005   0.00002   2.03040
   A310       1.30757  -0.00001   0.00007  -0.00051  -0.00044   1.30713
   A311       3.04319   0.00001  -0.00069   0.00052  -0.00017   3.04302
   A312       1.91194   0.00000  -0.00012  -0.00006  -0.00018   1.91176
   A313       1.92803   0.00000   0.00015   0.00020   0.00035   1.92838
   A314       1.90273  -0.00001   0.00007  -0.00012  -0.00005   1.90268
   A315       1.91235   0.00000   0.00012  -0.00004   0.00007   1.91242
   A316       1.91181   0.00000  -0.00024   0.00011  -0.00013   1.91169
   A317       1.89682   0.00001   0.00003  -0.00009  -0.00006   1.89675
   A318       1.78702  -0.00001   0.00070  -0.00012   0.00058   1.78760
   A319       1.91586   0.00000   0.00004   0.00003   0.00007   1.91593
   A320       1.91450  -0.00001   0.00018  -0.00007   0.00011   1.91461
   A321       1.92006   0.00001  -0.00004   0.00000  -0.00004   1.92001
   A322       1.90709   0.00000   0.00019  -0.00002   0.00017   1.90726
   A323       1.91060   0.00000  -0.00024   0.00003  -0.00021   1.91039
   A324       1.89556   0.00000  -0.00013   0.00003  -0.00010   1.89546
   A325       2.94047   0.00000  -0.00029  -0.00003  -0.00032   2.94016
   A326       3.36277   0.00000   0.00037   0.00029   0.00065   3.36342
   A327       3.08162   0.00000   0.00032   0.00028   0.00060   3.08222
   A328       3.20061  -0.00001  -0.00099  -0.00056  -0.00154   3.19907
   A329       3.27276   0.00000  -0.00046  -0.00061  -0.00107   3.27169
   A330       3.25974   0.00000  -0.00009   0.00019   0.00009   3.25983
   A331       3.69762  -0.00001   0.00046  -0.00009   0.00037   3.69798
   A332       3.21543   0.00001   0.00030   0.00042   0.00073   3.21615
   A333       2.97849   0.00000  -0.00006  -0.00009  -0.00015   2.97834
   A334       2.91104   0.00001  -0.00009  -0.00010  -0.00019   2.91085
   A335       3.23105   0.00000  -0.00021  -0.00014  -0.00035   3.23071
   A336       3.07606   0.00000   0.00010   0.00019   0.00029   3.07635
   A337       3.10354   0.00000  -0.00016   0.00001  -0.00014   3.10339
   A338       3.04582   0.00000   0.00007  -0.00004   0.00003   3.04585
    D1        2.75783   0.00001  -0.00013   0.00017   0.00004   2.75787
    D2       -1.36175   0.00001  -0.00013   0.00013   0.00000  -1.36175
    D3        2.78025   0.00001  -0.00004   0.00042   0.00038   2.78063
    D4       -1.33933   0.00001  -0.00004   0.00038   0.00034  -1.33899
    D5        1.66243   0.00000  -0.00019   0.00001  -0.00018   1.66224
    D6       -2.45715   0.00000  -0.00019  -0.00003  -0.00022  -2.45738
    D7        1.84286   0.00000  -0.00009   0.00013   0.00005   1.84291
    D8       -2.27672   0.00000  -0.00009   0.00010   0.00001  -2.27671
    D9        0.32209   0.00000  -0.00047  -0.00002  -0.00050   0.32159
   D10        2.48569   0.00000  -0.00048  -0.00006  -0.00054   2.48515
   D11        0.03450   0.00000  -0.00032   0.00003  -0.00029   0.03420
   D12        2.19810   0.00000  -0.00032  -0.00001  -0.00033   2.19777
   D13       -0.43518   0.00000  -0.00034  -0.00001  -0.00035  -0.43552
   D14        1.72843   0.00000  -0.00034  -0.00005  -0.00039   1.72804
   D15       -0.55776   0.00000  -0.00014   0.00011  -0.00003  -0.55779
   D16        1.60584   0.00000  -0.00014   0.00008  -0.00007   1.60577
   D17        0.21336   0.00000  -0.00020   0.00005  -0.00015   0.21321
   D18        2.37696   0.00000  -0.00020   0.00001  -0.00019   2.37677
   D19        0.14590   0.00000  -0.00023   0.00004  -0.00018   0.14572
   D20        2.30951   0.00000  -0.00023   0.00001  -0.00023   2.30928
   D21        2.40235   0.00000  -0.00052  -0.00010  -0.00062   2.40173
   D22       -1.71723   0.00000  -0.00052  -0.00014  -0.00066  -1.71789
   D23        2.15984  -0.00001  -0.00049  -0.00014  -0.00063   2.15921
   D24       -1.95974  -0.00001  -0.00049  -0.00018  -0.00067  -1.96041
   D25        1.71759   0.00000  -0.00054  -0.00013  -0.00067   1.71692
   D26       -2.40199   0.00000  -0.00055  -0.00017  -0.00071  -2.40270
   D27        1.41114   0.00000  -0.00055  -0.00014  -0.00069   1.41045
   D28       -2.70844   0.00000  -0.00055  -0.00018  -0.00073  -2.70917
   D29        2.37111  -0.00001  -0.00043  -0.00027  -0.00069   2.37042
   D30       -1.74847  -0.00001  -0.00043  -0.00030  -0.00073  -1.74920
   D31       -1.75066   0.00001  -0.00009   0.00015   0.00006  -1.75060
   D32        0.41294   0.00001  -0.00009   0.00011   0.00002   0.41296
   D33       -2.10137   0.00000   0.00005   0.00012   0.00017  -2.10120
   D34        0.06223   0.00000   0.00005   0.00008   0.00013   0.06237
   D35       -2.47561   0.00000  -0.00013   0.00014   0.00001  -2.47561
   D36       -0.31201   0.00000  -0.00013   0.00010  -0.00003  -0.31204
   D37       -2.76513   0.00000  -0.00014   0.00014   0.00000  -2.76513
   D38       -0.60153   0.00000  -0.00014   0.00010  -0.00004  -0.60157
   D39       -2.12846   0.00001   0.00031   0.00010   0.00040  -2.12806
   D40        0.03514   0.00001   0.00031   0.00006   0.00036   0.03551
   D41       -2.37034   0.00000   0.00067  -0.00007   0.00060  -2.36974
   D42       -0.20673   0.00001   0.00066  -0.00011   0.00056  -0.20617
   D43        1.26336   0.00000  -0.00008  -0.00028  -0.00036   1.26300
   D44       -1.92519   0.00001  -0.00050  -0.00087  -0.00138  -1.92657
   D45        2.45839   0.00000  -0.00019  -0.00040  -0.00059   2.45780
   D46       -0.73016   0.00001  -0.00061  -0.00099  -0.00160  -0.73177
   D47        2.94380   0.00000  -0.00011  -0.00037  -0.00048   2.94332
   D48       -0.24475   0.00000  -0.00053  -0.00097  -0.00150  -0.24625
   D49        2.87241   0.00000  -0.00039  -0.00039  -0.00078   2.87163
   D50       -0.31614   0.00000  -0.00081  -0.00099  -0.00180  -0.31794
   D51        2.05493  -0.00001  -0.00049  -0.00048  -0.00097   2.05396
   D52       -1.13362  -0.00001  -0.00091  -0.00107  -0.00199  -1.13561
   D53        1.16116  -0.00002  -0.00045  -0.00063  -0.00108   1.16008
   D54       -2.02740  -0.00001  -0.00087  -0.00122  -0.00209  -2.02949
   D55        1.01735  -0.00001   0.00000  -0.00034  -0.00034   1.01701
   D56       -2.17120   0.00000  -0.00043  -0.00093  -0.00136  -2.17256
   D57        2.02609   0.00000  -0.00021  -0.00041  -0.00062   2.02548
   D58       -1.16246   0.00000  -0.00063  -0.00100  -0.00163  -1.16409
   D59        1.82958   0.00000  -0.00022  -0.00040  -0.00062   1.82896
   D60       -1.35897   0.00000  -0.00065  -0.00100  -0.00164  -1.36061
   D61       -2.27515  -0.00001  -0.00042  -0.00056  -0.00098  -2.27613
   D62        0.81949   0.00000  -0.00085  -0.00115  -0.00200   0.81749
   D63       -2.40965   0.00000  -0.00030  -0.00053  -0.00084  -2.41049
   D64        0.68498   0.00000  -0.00073  -0.00113  -0.00185   0.68313
   D65       -2.81220   0.00000  -0.00030  -0.00054  -0.00084  -2.81304
   D66        0.28244   0.00000  -0.00072  -0.00113  -0.00186   0.28058
   D67       -2.98899   0.00000  -0.00023  -0.00054  -0.00076  -2.98975
   D68        0.10565   0.00000  -0.00065  -0.00113  -0.00178   0.10387
   D69       -2.13295  -0.00001  -0.00024  -0.00055  -0.00079  -2.13374
   D70        0.96168   0.00000  -0.00066  -0.00114  -0.00181   0.95988
   D71       -0.15979   0.00001  -0.00002  -0.00046  -0.00047  -0.16027
   D72        2.93484   0.00001  -0.00044  -0.00105  -0.00149   2.93335
   D73       -0.55802   0.00000  -0.00004  -0.00049  -0.00053  -0.55855
   D74        2.53661   0.00000  -0.00047  -0.00108  -0.00155   2.53506
   D75       -0.72503   0.00000  -0.00031  -0.00043  -0.00074  -0.72578
   D76        2.36960   0.00000  -0.00074  -0.00102  -0.00176   2.36784
   D77       -1.06254   0.00000  -0.00030  -0.00044  -0.00075  -1.06329
   D78        2.03209   0.00000  -0.00073  -0.00104  -0.00177   2.03033
   D79       -0.84337   0.00000   0.00016  -0.00055  -0.00039  -0.84376
   D80        2.25127   0.00000  -0.00027  -0.00115  -0.00141   2.24986
   D81       -1.14611   0.00000   0.00018  -0.00060  -0.00042  -1.14653
   D82        1.94853   0.00000  -0.00024  -0.00120  -0.00144   1.94709
   D83       -1.53138   0.00000  -0.00032  -0.00020  -0.00052  -1.53190
   D84       -2.60707   0.00000  -0.00031  -0.00018  -0.00049  -2.60756
   D85       -2.94599   0.00001  -0.00021   0.00008  -0.00014  -2.94612
   D86        0.74089   0.00000  -0.00047  -0.00023  -0.00070   0.74019
   D87        0.31690   0.00000  -0.00047  -0.00020  -0.00067   0.31623
   D88       -0.05795   0.00000  -0.00070  -0.00023  -0.00093  -0.05888
   D89       -0.39658   0.00000  -0.00056  -0.00018  -0.00074  -0.39731
   D90        0.18792   0.00000  -0.00034  -0.00018  -0.00051   0.18740
   D91       -0.05087   0.00000  -0.00037  -0.00018  -0.00055  -0.05141
   D92        2.40712   0.00000  -0.00076  -0.00033  -0.00109   2.40602
   D93        2.05947  -0.00001  -0.00066  -0.00033  -0.00098   2.05849
   D94        1.66505   0.00000  -0.00068  -0.00033  -0.00101   1.66404
   D95        1.37803   0.00000  -0.00059  -0.00034  -0.00093   1.37710
   D96        2.06317  -0.00001  -0.00051  -0.00038  -0.00089   2.06228
   D97       -1.89383   0.00001  -0.00014  -0.00009  -0.00023  -1.89406
   D98       -2.43444   0.00000  -0.00007  -0.00026  -0.00034  -2.43478
   D99       -2.64958   0.00000  -0.00044  -0.00022  -0.00066  -2.65025
   D100      -2.97781   0.00000  -0.00051  -0.00030  -0.00081  -2.97862
   D101      -2.90806   0.00000   0.00021  -0.00059  -0.00038  -2.90844
   D102       2.84171   0.00000  -0.00032  -0.00067  -0.00099   2.84072
   D103      -2.90507   0.00001   0.00051   0.00012   0.00063  -2.90443
   D104       1.19269   0.00001   0.00039   0.00007   0.00046   1.19314
   D105       2.80457   0.00000   0.00051   0.00015   0.00066   2.80523
   D106       0.61914   0.00000   0.00039   0.00010   0.00049   0.61963
   D107       2.30218   0.00000   0.00059   0.00008   0.00066   2.30284
   D108       0.11674   0.00000   0.00046   0.00003   0.00049   0.11723
   D109       1.74460  -0.00001   0.00026  -0.00018   0.00009   1.74469
   D110      -0.44083  -0.00001   0.00014  -0.00023  -0.00009  -0.44092
   D111       2.58690   0.00000   0.00047   0.00012   0.00059   2.58749
   D112       0.40147   0.00000   0.00035   0.00006   0.00041   0.40188
   D113       2.25072   0.00000   0.00038   0.00006   0.00045   2.25116
   D114       0.06528   0.00000   0.00026   0.00001   0.00027   0.06555
   D115      -1.61230   0.00000   0.00012   0.00010   0.00022  -1.61209
   D116       2.48545   0.00000   0.00000   0.00005   0.00004   2.48549
   D117      -1.77077   0.00000  -0.00006  -0.00008  -0.00014  -1.77091
   D118       2.32698   0.00000  -0.00018  -0.00013  -0.00031   2.32667
   D119      -2.73553   0.00000   0.00007   0.00001   0.00008  -2.73545
   D120       1.36222   0.00000  -0.00005  -0.00004  -0.00009   1.36213
   D121      -2.69693   0.00000   0.00021   0.00004   0.00025  -2.69669
   D122       1.40082   0.00000   0.00008  -0.00001   0.00007   1.40089
   D123       1.32543   0.00000   0.00040   0.00015   0.00055   1.32599
   D124      -0.86000   0.00000   0.00028   0.00010   0.00038  -0.85962
   D125       1.29499   0.00000   0.00038   0.00019   0.00057   1.29556
   D126      -0.89045   0.00000   0.00026   0.00014   0.00040  -0.89005
   D127       1.65067   0.00001   0.00042   0.00023   0.00065   1.65132
   D128      -0.53477   0.00001   0.00030   0.00018   0.00048  -0.53429
   D129       1.77577   0.00001   0.00035   0.00026   0.00061   1.77637
   D130      -0.40967   0.00000   0.00022   0.00021   0.00043  -0.40924
   D131       0.89426   0.00001   0.00039   0.00022   0.00061   0.89488
   D132      -1.29117   0.00001   0.00027   0.00017   0.00044  -1.29073
   D133      -0.95417  -0.00001   0.00021   0.00016   0.00037  -0.95380
   D134      -3.13960  -0.00001   0.00008   0.00011   0.00019  -3.13941
   D135      -0.52833   0.00000   0.00015   0.00014   0.00028  -0.52805
   D136      -2.71377   0.00000   0.00002   0.00008   0.00011  -2.71366
   D137      -0.23787   0.00000   0.00025   0.00000   0.00025  -0.23761
   D138      -2.42330   0.00000   0.00013  -0.00005   0.00008  -2.42322
   D139       0.16833   0.00000   0.00012  -0.00007   0.00005   0.16838
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   D141      -0.30862   0.00000   0.00000   0.00017   0.00017  -0.30845
   D142      -2.49406   0.00000  -0.00013   0.00012   0.00000  -2.49406
   D143      -0.05831   0.00000  -0.00012   0.00023   0.00011  -0.05819
   D144      -2.24374   0.00000  -0.00024   0.00018  -0.00006  -2.24380
   D145      -2.47690   0.00000   0.00057   0.00028   0.00085  -2.47604
   D146      -2.72762   0.00000   0.00076   0.00032   0.00108  -2.72654
   D147      -2.40680   0.00001   0.00081   0.00053   0.00133  -2.40547
   D148       2.99916   0.00000   0.00084   0.00031   0.00115   3.00031
   D149       2.61473   0.00000   0.00094   0.00035   0.00129   2.61601
   D150       1.51210   0.00000   0.00029   0.00028   0.00057   1.51267
   D151       2.61387   0.00000   0.00029   0.00024   0.00053   2.61440
   D152       2.98972  -0.00001   0.00040   0.00024   0.00064   2.99037
   D153       1.17852   0.00000   0.00080   0.00039   0.00119   1.17971
   D154       1.23985   0.00000   0.00062   0.00040   0.00102   1.24087
   D155       1.63129   0.00000   0.00057   0.00041   0.00098   1.63227
   D156       1.70754   0.00000   0.00044   0.00040   0.00083   1.70837
   D157       0.88937   0.00000   0.00059   0.00044   0.00103   0.89039
   D158      -0.99284  -0.00001   0.00048   0.00046   0.00094  -0.99190
   D159      -0.66822   0.00000   0.00057   0.00048   0.00105  -0.66717
   D160      -0.70877   0.00000   0.00073   0.00042   0.00115  -0.70762
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   D381       1.04255   0.00000   0.00614   0.00234   0.00848   1.05103
   D382      -2.19357   0.00000  -0.00014  -0.00014  -0.00028  -2.19386
   D383       1.58929   0.00000   0.00586   0.00217   0.00803   1.59732
   D384      -1.95684   0.00000   0.00008  -0.00010  -0.00002  -1.95686
   D385       1.82602   0.00000   0.00608   0.00221   0.00829   1.83431
   D386      -1.62883   0.00000   0.00020  -0.00002   0.00017  -1.62866
   D387       2.15403   0.00000   0.00620   0.00229   0.00849   2.16252
   D388      -1.69086   0.00000  -0.00062  -0.00043  -0.00106  -1.69192
   D389       2.09200   0.00000   0.00538   0.00188   0.00726   2.09925
   D390      -1.11906   0.00000  -0.00047  -0.00041  -0.00088  -1.11994
   D391       2.66380   0.00000   0.00553   0.00190   0.00743   2.67123
   D392       1.80246   0.00000   0.00012  -0.00005   0.00007   1.80254
   D393      -0.69786   0.00000   0.00612   0.00226   0.00839  -0.68947
   D394       2.10536   0.00000   0.00023  -0.00002   0.00020   2.10556
   D395      -0.39497   0.00000   0.00623   0.00229   0.00851  -0.38646
   D396       2.05919   0.00000   0.00045   0.00005   0.00049   2.05968
   D397      -0.44114   0.00000   0.00645   0.00236   0.00880  -0.43234
   D398       2.26642   0.00000   0.00075   0.00016   0.00091   2.26733
   D399      -0.23391   0.00000   0.00675   0.00247   0.00923  -0.22468
   D400       2.50315   0.00000   0.00009  -0.00006   0.00003   2.50318
   D401       0.00283   0.00000   0.00610   0.00225   0.00834   0.01117
   D402      -1.53406   0.00001   0.00042  -0.00020   0.00022  -1.53385
   D403       2.24880   0.00001   0.00642   0.00211   0.00853   2.25733
   D404      -2.63093   0.00000   0.00054  -0.00024   0.00030  -2.63063
   D405       1.15193   0.00000   0.00654   0.00207   0.00861   1.16054
   D406      -2.97923   0.00000   0.00065  -0.00027   0.00039  -2.97884
   D407       0.80363   0.00000   0.00666   0.00204   0.00870   0.81233
   D408       1.91743  -0.00001  -0.00093   0.00016  -0.00077   1.91665
   D409       2.41557   0.00000  -0.00094   0.00026  -0.00069   2.41488
   D410       2.64498   0.00000  -0.00083   0.00023  -0.00060   2.64438
   D411       2.87749  -0.00001  -0.00084   0.00004  -0.00079   2.87670
   D412       2.84866   0.00000  -0.00116   0.00054  -0.00062   2.84804
   D413      -2.93915   0.00000  -0.00085   0.00045  -0.00039  -2.93954
   D414      -0.75131   0.00000  -0.00048   0.00023  -0.00026  -0.75156
   D415      -0.37146   0.00000  -0.00051   0.00018  -0.00034  -0.37180
   D416      -0.05984   0.00000  -0.00042   0.00026  -0.00016  -0.05999
   D417       0.24834   0.00000  -0.00041   0.00025  -0.00016   0.24818
   D418      -0.23975   0.00000  -0.00054   0.00005  -0.00048  -0.24024
   D419       0.06985   0.00000  -0.00054  -0.00003  -0.00056   0.06928
   D420      -2.55924   0.00000  -0.00027   0.00033   0.00006  -2.55919
   D421      -2.17762   0.00000  -0.00029   0.00031   0.00002  -2.17760
   D422      -1.93003   0.00000  -0.00008   0.00039   0.00030  -1.92973
   D423      -1.61600   0.00000  -0.00002   0.00040   0.00038  -1.61562
   D424      -1.96686   0.00000  -0.00055   0.00025  -0.00030  -1.96716
   D425       1.30584   0.00000  -0.00029   0.00010  -0.00019   1.30566
   D426       2.47101   0.00000  -0.00016   0.00005  -0.00011   2.47090
   D427       2.94592   0.00000  -0.00017   0.00013  -0.00004   2.94588
   D428      -3.07333  -0.00001  -0.00037   0.00048   0.00011  -3.07322
   D429       0.02799   0.00000  -0.00019  -0.00001  -0.00020   0.02780
   D430       0.03914   0.00001  -0.00038   0.00039   0.00001   0.03915
   D431       3.14046   0.00002  -0.00020  -0.00010  -0.00030   3.14016
   D432      -0.08177   0.00001  -0.00021  -0.00085  -0.00106  -0.08283
   D433       2.01783  -0.00001  -0.00018  -0.00094  -0.00111   2.01672
   D434      -2.17878   0.00000  -0.00024  -0.00079  -0.00103  -2.17981
   D435       3.09802   0.00001  -0.00037  -0.00039  -0.00075   3.09727
   D436      -1.08556  -0.00001  -0.00033  -0.00048  -0.00081  -1.08637
   D437       1.00101   0.00000  -0.00040  -0.00033  -0.00073   1.00028
   D438      -2.36413  -0.00001  -0.00087  -0.00055  -0.00143  -2.36556
   D439      -0.27349  -0.00002  -0.00112  -0.00065  -0.00177  -0.27525
   D440       1.83382  -0.00001  -0.00106  -0.00064  -0.00170   1.83212
   D441       0.73920  -0.00001  -0.00071  -0.00102  -0.00173   0.73747
   D442       2.82985  -0.00002  -0.00096  -0.00111  -0.00207   2.82778
   D443      -1.34603  -0.00001  -0.00090  -0.00110  -0.00200  -1.34803
   D444      -0.00153   0.00001  -0.00002  -0.00003  -0.00005  -0.00159
   D445       3.11300   0.00001   0.00010   0.00013   0.00023   3.11323
   D446      -3.12148   0.00001  -0.00007  -0.00004  -0.00010  -3.12159
   D447      -0.00695   0.00001   0.00005   0.00013   0.00018  -0.00677
   D448       2.41513   0.00000   0.00075   0.00083   0.00158   2.41671
   D449      -1.78433   0.00000   0.00076   0.00086   0.00162  -1.78271
   D450       0.32293   0.00001   0.00080   0.00087   0.00168   0.32461
   D451      -0.70070   0.00000   0.00064   0.00067   0.00131  -0.69939
   D452       1.38303   0.00001   0.00065   0.00070   0.00135   1.38438
   D453      -2.79289   0.00001   0.00069   0.00072   0.00141  -2.79149
   D454       2.05738   0.00000  -0.00058  -0.00031  -0.00089   2.05648
   D455      -2.14149   0.00000  -0.00060  -0.00033  -0.00093  -2.14242
   D456      -0.04829   0.00000  -0.00063  -0.00031  -0.00095  -0.04923
   D457      -1.10994   0.00000  -0.00046  -0.00016  -0.00062  -1.11056
   D458       0.97438   0.00000  -0.00048  -0.00017  -0.00066   0.97372
   D459       3.06759   0.00000  -0.00052  -0.00016  -0.00068   3.06691
   D460      -3.08363   0.00000   0.00095   0.00022   0.00116  -3.08246
   D461      -0.02755   0.00000   0.00118   0.00007   0.00125  -0.02630
   D462       0.07067   0.00001   0.00107   0.00037   0.00144   0.07212
   D463       3.12675   0.00001   0.00131   0.00023   0.00153   3.12828
   D464       1.93640  -0.00001  -0.00015  -0.00007  -0.00022   1.93618
   D465      -2.26441   0.00000  -0.00015  -0.00011  -0.00026  -2.26467
   D466      -0.17101  -0.00001  -0.00015  -0.00005  -0.00020  -0.17121
   D467      -1.12308  -0.00001  -0.00038   0.00007  -0.00031  -1.12339
   D468       0.95929  -0.00001  -0.00037   0.00002  -0.00035   0.95894
   D469       3.05269  -0.00001  -0.00038   0.00009  -0.00029   3.05240
   D470      -1.63573   0.00000   0.00005  -0.00002   0.00002  -1.63570
   D471       0.46840   0.00000   0.00017   0.00002   0.00019   0.46859
   D472       2.56003  -0.00001   0.00001  -0.00003  -0.00002   2.56000
   D473       1.42415   0.00000   0.00027  -0.00016   0.00011   1.42426
   D474      -2.75491   0.00000   0.00039  -0.00011   0.00027  -2.75464
   D475      -0.66328  -0.00001   0.00023  -0.00016   0.00006  -0.66322
   D476       0.00552   0.00000  -0.00071   0.00008  -0.00063   0.00489
   D477      -3.04644   0.00000   0.00001   0.00009   0.00010  -3.04634
   D478       3.11855   0.00001  -0.00092   0.00032  -0.00060   3.11795
   D479       0.06659   0.00001  -0.00020   0.00033   0.00014   0.06672
   D480      -0.30211  -0.00001   0.00103  -0.00065   0.00038  -0.30172
   D481       1.80608  -0.00001   0.00119  -0.00061   0.00058   1.80666
   D482      -2.39392   0.00000   0.00136  -0.00068   0.00068  -2.39325
   D483       2.75439  -0.00001   0.00035  -0.00066  -0.00031   2.75408
   D484      -1.42061  -0.00001   0.00051  -0.00063  -0.00012  -1.42072
   D485       0.66257   0.00000   0.00068  -0.00069  -0.00001   0.66256
   D486      -0.09388   0.00000  -0.00084   0.00010  -0.00074  -0.09462
   D487       2.00177   0.00000  -0.00047   0.00005  -0.00042   2.00135
   D488      -2.19735   0.00000  -0.00055   0.00005  -0.00050  -2.19785
   D489       3.13269   0.00000  -0.00016   0.00012  -0.00004   3.13266
   D490      -1.05484   0.00000   0.00022   0.00007   0.00029  -1.05455
   D491       1.02922   0.00000   0.00014   0.00006   0.00021   1.02943
         Item               Value     Threshold  Converged?
 Maximum Force            0.000043     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.005395     0.001800     NO 
 RMS     Displacement     0.000577     0.001200     YES
 Predicted change in Energy=-4.434842D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:02:33 2016, MaxMem=  2952790016 cpu:        12.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.827337   -0.587758    1.667194
      2          6           0       -2.068778    1.118391   -1.367704
      3          8           0       -2.621003    0.139429   -1.899459
      4          7           0       -0.776266    1.162859   -0.944438
      5          1           0       -2.615122    2.060702   -1.162055
      6          6           0       -0.234127    2.332066   -0.251874
      7          1           0       -0.988892    3.130328   -0.227615
      8          1           0        0.044991    2.059897    0.778906
      9          1           0        0.663831    2.694902   -0.778253
     10          6           0        0.131435    0.025582   -1.112738
     11          1           0        0.695383   -0.126662   -0.179172
     12          1           0       -0.452243   -0.876150   -1.339559
     13          1           0        0.845332    0.219626   -1.930238
     14          6           0       -2.004255   -3.998893    2.618419
     15          8           0       -2.124683   -3.845542    3.845942
     16          7           0       -2.946074   -3.689486    1.686103
     17          1           0       -1.074821   -4.396339    2.164299
     18          6           0       -4.245110   -3.124668    2.059518
     19          1           0       -4.506690   -2.327375    1.345680
     20          1           0       -5.029477   -3.899234    2.026732
     21          1           0       -4.184050   -2.707480    3.072857
     22          6           0       -2.699351   -3.873699    0.255717
     23          1           0       -3.408665   -4.606174   -0.163393
     24          1           0       -2.835592   -2.913944   -0.269512
     25          1           0       -1.671037   -4.229008    0.100979
     26          6           0        1.558697    0.378632    2.609393
     27          8           0        1.392831    1.397606    3.301040
     28          7           0        1.174591   -0.880726    2.953833
     29          1           0        2.039983    0.416403    1.612239
     30          6           0        1.477204   -2.034283    2.105982
     31          1           0        2.221598   -2.684954    2.595030
     32          1           0        0.561052   -2.622467    1.936517
     33          1           0        1.869000   -1.688347    1.139680
     34          6           0        0.532410   -1.152296    4.242428
     35          1           0        1.279885   -1.454898    4.995634
     36          1           0        0.013970   -0.248265    4.586311
     37          1           0       -0.192512   -1.969237    4.115393
     38          6           0       -4.607955    1.096861    2.911433
     39          8           0       -4.856575    1.673715    1.838743
     40          7           0       -3.536040    1.346464    3.712025
     41          1           0       -5.249348    0.281915    3.303303
     42          6           0       -2.538306    2.364622    3.371428
     43          1           0       -2.623718    2.620816    2.307355
     44          1           0       -2.686958    3.270191    3.982456
     45          1           0       -1.533393    1.963852    3.573923
     46          6           0       -3.258850    0.537719    4.899520
     47          1           0       -4.075096   -0.180068    5.059197
     48          1           0       -2.311951   -0.011979    4.762432
     49          1           0       -3.163150    1.187484    5.784268
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489962   0.000000
     3  O    3.725549   1.243415   0.000000
     4  N    3.315121   1.360778   2.315713   0.000000
     5  H    3.954693   1.108483   2.057933   2.057880   0.000000
     6  C    3.840118   2.466582   3.635845   1.463080   2.563436
     7  H    4.256460   2.552224   3.795302   2.104751   2.159143
     8  H    3.362253   3.156325   4.239028   2.109278   3.292952
     9  H    4.791867   3.209360   4.310183   2.109183   3.361704
    10  C    3.455574   2.469854   2.864927   1.464803   3.418732
    11  H    3.160031   3.256279   3.745478   2.101012   4.087795
    12  H    3.318827   2.567522   2.459351   2.102063   3.651664
    13  H    4.553739   3.101009   3.467398   2.119215   3.994297
    14  C    3.545698   6.486904   6.157703   6.391055   7.168252
    15  O    3.930460   7.199017   7.009704   7.060456   7.759142
    16  N    3.297370   5.762904   5.255713   5.930688   6.425434
    17  H    3.913910   6.623838   6.283152   6.376368   7.424995
    18  C    3.526394   5.872462   5.381965   6.280089   6.318501
    19  H    3.210696   5.017884   4.491310   5.598431   5.396479
    20  H    4.620480   6.742736   6.125889   7.248616   7.177626
    21  H    3.467450   6.231391   5.939018   6.536908   6.567463
    22  C    3.681044   5.287161   4.555888   5.523182   6.101990
    23  H    4.690343   6.001359   5.114205   6.389155   6.787804
    24  H    3.190384   4.248971   3.467833   4.616998   5.058888
    25  H    3.966883   5.559667   4.897696   5.564687   6.484366
    26  C    3.645117   5.433518   6.152793   4.323978   5.871453
    27  O    4.120753   5.818751   6.688726   4.773277   6.035114
    28  N    3.279153   5.761214   6.245133   4.814416   6.320954
    29  H    3.995939   5.123940   5.842390   3.876217   5.663077
    30  C    3.633864   5.880462   6.128938   4.960333   6.648015
    31  H    4.653278   6.969650   7.185287   6.026665   7.747955
    32  H    3.149124   5.641622   5.698092   4.941358   6.451458
    33  H    3.892619   5.447095   5.721648   4.412523   6.281776
    34  C    3.538212   6.587547   7.023912   5.828907   7.031270
    35  H    4.635222   7.637239   8.080910   6.809175   8.089973
    36  H    3.467984   6.454136   7.011319   5.762371   6.729574
    37  H    3.251895   6.566443   6.820739   5.979355   7.068303
    38  C    3.481079   4.975831   5.292385   5.436353   4.636127
    39  O    3.784173   4.285032   4.618005   4.965480   3.765456
    40  N    3.292752   5.292307   5.812312   5.415968   5.011474
    41  H    3.891445   5.712619   5.830715   6.231198   5.481118
    42  C    3.482303   4.922694   5.721938   4.814116   4.544308
    43  H    3.367339   4.008902   4.884114   4.014084   3.514342
    44  H    4.580738   5.799707   6.663554   5.689102   5.285264
    45  H    3.198864   5.041935   5.871057   4.650850   4.858909
    46  C    3.709968   6.405587   6.840439   6.380115   6.283037
    47  H    4.089538   6.856847   7.116134   6.980642   6.771746
    48  H    3.185416   6.238224   6.670774   6.025524   6.283906
    49  H    4.678267   7.235546   7.773802   7.139559   7.022410
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098854   0.000000
     8  H    1.102040   1.796615   0.000000
     9  H    1.102295   1.795632   1.791910   0.000000
    10  C    2.488894   3.417312   2.779249   2.742370   0.000000
    11  H    2.629567   3.667031   2.474260   2.884635   1.101254
    12  H    3.394596   4.192407   3.654518   3.783265   1.097838
    13  H    2.905950   3.838683   3.371439   2.736239   1.102546
    14  C    7.173073   7.743169   6.655234   7.966364   5.888896
    15  O    7.650433   8.157613   6.999171   8.481533   6.683126
    16  N    6.882550   7.348656   6.544072   7.737240   5.577303
    17  H    7.198340   7.898061   6.697483   7.871927   5.634484
    18  C    7.155869   7.413428   6.850157   8.125149   6.256311
    19  H    6.520534   6.681069   6.347219   7.514563   5.752602
    20  H    8.186362   8.415649   7.925814   9.152285   7.203851
    21  H    7.214759   7.428469   6.773100   8.216979   6.603957
    22  C    6.696752   7.226041   6.558406   7.451617   5.009032
    23  H    7.630511   8.106349   7.566516   8.382660   5.906499
    24  H    5.855643   6.320228   5.842605   6.630531   4.260880
    25  H    6.725839   7.398184   6.553980   7.359700   4.777400
    26  C    3.900895   4.702198   2.910093   4.200243   4.001997
    27  O    4.017886   4.596340   2.935380   4.342240   4.791138
    28  N    4.752166   5.557952   3.827997   5.193694   4.294946
    29  H    3.509453   4.463692   2.715789   3.577682   3.349745
    30  C    5.249109   6.180656   4.535931   5.598712   4.051455
    31  H    6.269445   7.217484   5.527163   6.538236   5.046120
    32  H    5.474373   6.338805   4.850867   5.971177   4.061365
    33  H    4.745871   5.766860   4.184077   4.933941   3.321155
    34  C    5.738215   6.374678   4.748867   6.326567   5.497816
    35  H    6.646027   7.311223   5.626681   7.137096   6.389285
    36  H    5.488869   5.966113   4.452516   6.153299   5.706833
    37  H    6.129924   6.745481   5.236647   6.814345   5.605141
    38  C    5.537383   5.204443   5.208168   6.630177   6.308995
    39  O    5.115772   4.620663   5.029686   6.194060   6.025598
    40  N    5.252288   5.019053   4.683584   6.294426   6.202696
    41  H    6.480343   6.223530   6.128934   7.579400   6.965627
    42  C    4.294021   3.992506   3.672527   5.251916   5.718948
    43  H    3.513285   3.059139   3.126147   4.509373   5.101288
    44  H    4.982571   4.541772   4.380764   5.850052   6.665721
    45  H    4.057141   4.013582   3.211330   4.929874   5.337914
    46  C    6.237426   6.177528   5.496531   7.230351   6.921240
    47  H    7.019354   6.959437   6.349288   8.049765   7.471946
    48  H    5.912289   6.043604   5.071127   6.847020   6.363110
    49  H    6.806192   6.681675   6.008904   7.744984   7.731300
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795905   0.000000
    13  H    1.791266   1.798145   0.000000
    14  C    5.487142   5.275022   6.826882   0.000000
    15  O    6.163147   6.205140   7.662299   1.242912   0.000000
    16  N    5.425235   4.825835   6.537112   1.360871   2.316018
    17  H    5.182241   5.005632   6.462148   1.108168   2.057550
    18  C    6.197438   5.567351   7.281143   2.469427   2.864817
    19  H    5.850630   5.074948   6.772222   3.267418   3.772280
    20  H    7.202245   6.435994   8.193655   3.084152   3.427862
    21  H    6.406651   6.062142   7.674216   2.574056   2.476658
    22  C    5.074803   4.071817   5.839390   2.466008   3.636035
    23  H    6.075318   4.902742   6.671325   3.174844   4.278076
    24  H    4.499432   3.313300   5.111406   3.195056   4.279045
    25  H    4.744225   3.847371   5.499845   2.549803   3.791779
    26  C    2.962555   4.605712   4.598090   5.644238   5.739336
    27  O    3.862862   5.487205   5.390145   6.413140   6.337225
    28  N    3.257909   4.591277   5.017303   4.465482   4.524511
    29  H    2.304782   4.073695   3.743669   6.071498   6.363807
    30  C    3.077692   4.115311   4.665880   4.030241   4.391095
    31  H    4.070674   5.089419   5.550562   4.425474   4.669251
    32  H    3.274634   3.848255   4.807296   2.990040   3.514966
    33  H    2.357034   3.492057   3.756682   4.746303   5.284586
    34  C    4.541919   5.674890   6.331027   4.144296   3.804066
    35  H    5.374428   6.593170   7.138668   4.786297   4.316023
    36  H    4.815489   5.977250   6.586007   4.691805   4.249987
    37  H    4.756756   5.569453   6.512903   3.105293   2.706734
    38  C    6.258933   6.263677   7.345043   5.729906   5.609572
    39  O    6.175563   6.000129   6.987942   6.397039   6.477212
    40  N    5.934345   6.322049   7.231965   5.667025   5.382080
    41  H    6.901768   6.775655   8.033614   5.415257   5.205179
    42  C    5.410176   6.086678   6.645124   6.430128   6.241985
    43  H    4.974724   5.499459   5.979734   6.655902   6.665588
    44  H    6.348070   7.107034   7.532793   7.427400   7.139219
    45  H    4.839774   5.777265   6.244713   6.057146   5.845740
    46  C    6.470740   6.985855   7.974402   5.230514   4.648585
    47  H    7.085255   7.386045   8.557019   4.982891   4.325714
    48  H    5.785902   6.437360   7.403642   4.537285   3.946040
    49  H    7.223425   7.896613   8.747473   6.185801   5.492437
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056672   0.000000
    18  C    1.464907   3.417434   0.000000
    19  H    2.099228   4.090046   1.101665   0.000000
    20  H    2.121459   3.988150   1.102841   1.791055   0.000000
    21  H    2.102381   3.653084   1.097556   1.797698   1.797053
    22  C    1.463151   2.560261   2.490807   2.616412   2.926882
    23  H    2.115406   3.302878   2.799256   2.945485   2.814861
    24  H    2.106680   3.349813   2.730481   2.396972   3.325156
    25  H    2.104619   2.154243   3.417791   3.634064   3.885408
    26  C    6.139626   5.471186   6.801445   6.760797   7.876780
    27  O    6.878417   6.399320   7.333397   7.245914   8.421782
    28  N    5.145498   4.247677   5.933653   6.079137   6.961420
    29  H    6.459454   5.759276   7.227838   7.103401   8.292997
    30  C    4.741454   3.477865   5.825460   6.039119   6.769138
    31  H    5.342291   3.739084   6.503725   6.852635   7.373977
    32  H    3.674394   2.423755   4.833894   5.110595   5.735180
    33  H    5.242907   4.129062   6.347556   6.410946   7.298210
    34  C    5.007194   4.174402   5.610709   5.929966   6.587076
    35  H    5.814216   4.713086   6.475684   6.896944   7.388993
    36  H    5.386564   4.925255   5.726966   5.938077   6.731819
    37  H    4.054974   3.236675   4.688837   5.139232   5.611027
    38  C    5.212716   6.573926   4.321889   3.766594   5.091301
    39  O    5.695370   7.159135   4.842222   4.046511   5.578799
    40  N    5.460148   6.436835   4.819189   4.476477   5.708582
    41  H    4.867488   6.372603   3.763018   3.345479   4.377212
    42  C    6.297525   7.022076   5.896320   5.476589   6.873866
    43  H    6.348998   7.187490   5.975024   5.380984   6.955392
    44  H    7.333314   8.042411   6.857095   6.449556   7.791849
    45  H    6.125337   6.530648   5.961532   5.676283   6.999441
    46  C    5.319130   6.049492   4.738291   4.732405   5.574458
    47  H    4.996846   5.929505   4.206857   4.311312   4.892738
    48  H    4.836318   5.244369   4.553206   4.674627   5.475378
    49  H    6.373924   6.974552   5.799918   5.818969   6.593705
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391264   0.000000
    23  H    3.831393   1.102406   0.000000
    24  H    3.610040   1.102522   1.789781   0.000000
    25  H    4.178796   1.098917   1.797637   1.795229   0.000000
    26  C    6.535903   6.461662   7.563817   6.199914   6.160655
    27  O    6.928593   7.335298   8.432202   7.015545   7.161457
    28  N    5.662706   5.589735   6.678495   5.532224   5.239023
    29  H    7.115521   6.535014   7.620165   6.197050   6.134771
    30  C    5.782547   4.924484   5.969623   5.001699   4.329928
    31  H    6.423485   5.576849   6.557427   5.816633   4.874116
    32  H    4.880009   3.875680   4.909518   4.060630   3.306417
    33  H    6.435466   5.140718   6.169722   5.061729   4.479478
    34  C    5.102107   5.808974   6.846357   5.899530   5.610075
    35  H    5.926266   6.644677   7.650399   6.840156   6.353053
    36  H    5.095259   6.265774   7.298321   6.229355   6.229267
    37  H    4.190974   4.980795   5.967000   5.206317   4.838194
    38  C    3.831288   5.949964   6.589193   5.417217   6.699927
    39  O    4.601109   6.159009   6.748481   5.438357   6.928897
    40  N    4.154867   6.316345   7.104153   5.873188   6.899549
    41  H    3.181895   5.749730   6.268932   5.367005   6.588446
    42  C    5.340772   6.974972   7.864126   6.419352   7.411069
    43  H    5.604585   6.811289   7.677898   6.108903   7.259186
    44  H    6.229062   8.057537   8.930065   7.506321   8.505055
    45  H    5.394293   6.815199   7.787773   6.345124   7.101535
    46  C    3.837189   6.429507   7.219084   6.229929   6.947578
    47  H    3.216401   6.213615   6.878226   6.116011   6.837934
    48  H    3.691226   5.947558   6.824454   5.832330   6.318485
    49  H    4.854352   7.509697   8.306709   7.319648   7.991530
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242657   0.000000
    28  N    1.360940   2.314947   0.000000
    29  H    1.107872   2.057575   2.057017   0.000000
    30  C    2.466216   3.634989   1.463256   2.562491   0.000000
    31  H    3.134518   4.225234   2.116649   3.258416   1.103025
    32  H    3.233366   4.326057   2.108323   3.395162   1.101823
    33  H    2.555141   3.797542   2.103712   2.163913   1.098596
    34  C    2.462480   2.851059   1.465137   3.413427   2.496987
    35  H    3.022203   3.319817   2.123609   3.940416   2.953763
    36  H    2.585997   2.502412   2.100484   3.659455   3.388650
    37  H    3.293518   3.809477   2.098345   4.115956   2.613412
    38  C    6.215681   6.020936   6.111505   6.807791   6.890717
    39  O    6.589906   6.424144   6.644062   7.013890   7.344210
    40  N    5.301778   4.946240   5.265480   6.030436   6.256312
    41  H    6.844001   6.735229   6.537649   7.484126   7.214212
    42  C    4.616307   4.048939   4.948967   5.277408   6.089010
    43  H    4.755125   4.314663   5.206331   5.205068   6.207098
    44  H    5.317143   4.540439   5.761922   6.008828   6.999918
    45  H    3.606142   2.992972   3.976093   4.360254   5.215709
    46  C    5.336549   4.993264   5.045106   6.236872   6.070360
    47  H    6.168737   5.956375   5.699360   7.044962   6.556496
    48  H    4.446355   4.224690   4.022652   5.389486   5.050163
    49  H    5.747166   5.193027   5.577173   6.713642   6.741102
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787445   0.000000
    33  H    1.798775   1.793950   0.000000
    34  C    2.813596   2.734859   3.420653   0.000000
    35  H    2.857055   3.352334   3.907677   1.103452   0.000000
    36  H    3.843992   3.599659   4.170640   1.097410   1.796121
    37  H    2.941375   2.396262   3.630923   1.099565   1.790900
    38  C    7.813133   6.442244   7.269625   5.766595   6.747002
    39  O    8.346886   6.915015   7.551524   6.542569   7.576960
    40  N    7.116910   5.974195   6.711296   4.803896   5.717379
    41  H    8.069635   6.638094   7.696368   6.030559   6.965012
    42  C    6.982671   6.044506   6.389961   4.749384   5.639624
    43  H    7.191039   6.145917   6.333788   5.286022   6.251112
    44  H    7.841087   7.032700   7.309257   5.476341   6.252107
    45  H    6.055542   5.301143   5.553411   3.798002   4.650123
    46  C    6.762516   5.775623   6.736959   4.202568   4.957810
    47  H    7.210752   6.100026   7.278036   4.779274   5.505003
    48  H    5.691705   4.801520   5.780562   3.108234   3.877845
    49  H    7.359520   6.571955   7.427324   4.637780   5.229214
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796147   0.000000
    38  C    5.096741   5.508776   0.000000
    39  O    5.913150   6.340956   1.243075   0.000000
    40  N    3.988748   4.726072   1.360974   2.315187   0.000000
    41  H    5.443318   5.594530   1.108641   2.058231   2.058092
    42  C    3.849315   4.983830   2.470276   2.863712   1.465649
    43  H    4.514716   5.499850   2.573819   2.470272   2.104614
    44  H    4.476515   5.804442   3.092036   3.442598   2.120094
    45  H    2.883179   4.190506   3.262437   3.760129   2.100199
    46  C    3.380418   4.037588   2.466823   3.634772   1.463232
    47  H    4.116884   4.377939   2.554873   3.797176   2.106123
    48  H    2.344517   2.956610   3.150771   4.226658   2.108819
    49  H    3.686539   4.644859   3.216963   4.321027   2.111519
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419365   0.000000
    43  H    3.654627   1.097808   0.000000
    44  H    3.994607   1.102501   1.797680   0.000000
    45  H    4.087844   1.100668   1.795719   1.790010   0.000000
    46  C    2.564259   2.488337   3.385558   2.938447   2.601589
    47  H    2.162281   3.418440   4.186178   3.871768   3.641797
    48  H    3.292982   2.763034   3.613338   3.394353   2.433642
    49  H    3.365629   2.756425   3.799257   2.794809   2.853854
                   46         47         48         49
    46  C    0.000000
    47  H    1.098623   0.000000
    48  H    1.103440   1.795830   0.000000
    49  H    1.101876   1.796544   1.790921   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143687      0.1944600      0.1848087
 Leave Link  202 at Mon Nov 14 04:02:33 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1887617474 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842881990 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0044735484 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4035
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.36D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     220
 GePol: Fraction of low-weight points (<1% of avg)   =       5.45%
 GePol: Cavity surface area                          =    467.754 Ang**2
 GePol: Cavity volume                                =    458.279 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040051221 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.0004684263 Hartrees.
 Leave Link  301 at Mon Nov 14 04:02:33 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37492.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:02:34 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:02:35 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000341    0.000118   -0.000033
         Rot=    1.000000    0.000001    0.000000    0.000020 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:02:35 2016, MaxMem=  2952790016 cpu:         6.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48843675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.04D-14 for   3572.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.22D-15 for   2360    151.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.02D-14 for   3572.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.61D-09 for   1660   1652.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.99D-15 for    321.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.45D-14 for   2081   1130.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   2009.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.01D-15 for   2233    362.
 E= -1013.45140918217    
 DIIS: error= 3.59D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45140918217     IErMin= 1 ErrMin= 3.59D-05
 ErrMax= 3.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-06 BMatP= 2.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=8.85D-06 MaxDP=3.94D-04              OVMax= 5.14D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.85D-06    CP:  1.00D+00
 E= -1013.45141328603     Delta-E=       -0.000004103855 Rises=F Damp=F
 DIIS: error= 5.06D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141328603     IErMin= 2 ErrMin= 5.06D-06
 ErrMax= 5.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-08 BMatP= 2.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.176D-01 0.982D+00
 Coeff:      0.176D-01 0.982D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.48D-06 MaxDP=6.33D-05 DE=-4.10D-06 OVMax= 8.45D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.46D-06    CP:  1.00D+00  9.72D-01
 E= -1013.45141323950     Delta-E=        0.000000046532 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141328603     IErMin= 2 ErrMin= 5.06D-06
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.59D-08 BMatP= 3.59D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.303D-02 0.636D+00 0.360D+00
 Coeff:      0.303D-02 0.636D+00 0.360D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=5.76D-05 DE= 4.65D-08 OVMax= 9.60D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.25D-07    CP:  1.00D+00  9.79D-01  4.17D-01
 E= -1013.45141330440     Delta-E=       -0.000000064899 Rises=F Damp=F
 DIIS: error= 5.04D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141330440     IErMin= 4 ErrMin= 5.04D-06
 ErrMax= 5.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-08 BMatP= 3.59D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.478D-04 0.251D+00 0.284D+00 0.465D+00
 Coeff:      0.478D-04 0.251D+00 0.284D+00 0.465D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.70D-07 MaxDP=1.75D-05 DE=-6.49D-08 OVMax= 3.52D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.36D-07    CP:  1.00D+00  9.82D-01  4.78D-01  4.71D-01
 E= -1013.45141331898     Delta-E=       -0.000000014586 Rises=F Damp=F
 DIIS: error= 1.29D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141331898     IErMin= 5 ErrMin= 1.29D-06
 ErrMax= 1.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.53D-10 BMatP= 1.80D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.356D-04 0.145D+00 0.175D+00 0.309D+00 0.371D+00
 Coeff:      0.356D-04 0.145D+00 0.175D+00 0.309D+00 0.371D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.52D-08 MaxDP=4.99D-06 DE=-1.46D-08 OVMax= 5.34D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.56D-08    CP:  1.00D+00  9.83D-01  4.73D-01  4.90D-01  6.75D-01
 E= -1013.45141331957     Delta-E=       -0.000000000593 Rises=F Damp=F
 DIIS: error= 1.29D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141331957     IErMin= 6 ErrMin= 1.29D-07
 ErrMax= 1.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-11 BMatP= 7.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-04 0.412D-01 0.522D-01 0.951D-01 0.160D+00 0.651D+00
 Coeff:     -0.104D-04 0.412D-01 0.522D-01 0.951D-01 0.160D+00 0.651D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.35D-08 MaxDP=5.48D-07 DE=-5.93D-10 OVMax= 6.43D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.05D-08    CP:  1.00D+00  9.83D-01  4.76D-01  4.93D-01  6.69D-01
                    CP:  8.45D-01
 E= -1013.45141331971     Delta-E=       -0.000000000132 Rises=F Damp=F
 DIIS: error= 3.64D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141331971     IErMin= 7 ErrMin= 3.64D-08
 ErrMax= 3.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-12 BMatP= 1.10D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-04 0.114D-01 0.149D-01 0.280D-01 0.558D-01 0.327D+00
 Coeff-Com:  0.563D+00
 Coeff:     -0.114D-04 0.114D-01 0.149D-01 0.280D-01 0.558D-01 0.327D+00
 Coeff:      0.563D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.85D-09 MaxDP=2.03D-07 DE=-1.32D-10 OVMax= 1.82D-07

 Error on total polarization charges =  0.04318
 SCF Done:  E(RB97D) =  -1013.45141332     A.U. after    7 cycles
            NFock=  7  Conv=0.38D-08     -V/T= 2.0213
 KE= 9.923514294674D+02 PE=-6.029551798890D+03 EE= 2.174748487676D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:04:09 2016, MaxMem=  2952790016 cpu:      1064.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11981 LenP2D=   37492.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:04:17 2016, MaxMem=  2952790016 cpu:        99.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:04:18 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:04:54 2016, MaxMem=  2952790016 cpu:       439.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.25245044D+00-2.54479481D+00 3.32074721D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000122028    0.000061843    0.000015142
      2        6          -0.000026407    0.000003709    0.000025595
      3        8           0.000027520    0.000039423   -0.000005262
      4        7          -0.000036293   -0.000009191    0.000004238
      5        1           0.000025703    0.000035472   -0.000009529
      6        6           0.000039393    0.000097175    0.000097193
      7        1          -0.000006464    0.000008299    0.000037564
      8        1          -0.000034456    0.000021301    0.000038827
      9        1           0.000003000    0.000013717    0.000032189
     10        6           0.000062569   -0.000010552    0.000011705
     11        1           0.000009809    0.000049102    0.000025395
     12        1           0.000016802    0.000029705    0.000012650
     13        1           0.000014609    0.000040442    0.000019706
     14        6          -0.000016333   -0.000000184   -0.000003349
     15        8          -0.000009108   -0.000033155   -0.000036453
     16        7          -0.000006609    0.000004237   -0.000041605
     17        1           0.000010321    0.000009239   -0.000033238
     18        6          -0.000025370   -0.000000031   -0.000022924
     19        1           0.000003824    0.000005854   -0.000040781
     20        1           0.000005924   -0.000008594   -0.000050730
     21        1           0.000008910   -0.000006145   -0.000044273
     22        6           0.000027858    0.000022564   -0.000056132
     23        1           0.000023123    0.000009254   -0.000042064
     24        1           0.000033031    0.000000112   -0.000024476
     25        1           0.000018452    0.000012772   -0.000030120
     26        6          -0.000002490   -0.000025754    0.000013583
     27        8          -0.000032332   -0.000009831    0.000033436
     28        7          -0.000011357    0.000006791    0.000002178
     29        1           0.000017238    0.000015049    0.000037449
     30        6           0.000013510   -0.000033293    0.000008290
     31        1           0.000022811    0.000016086   -0.000012421
     32        1          -0.000009255   -0.000006434   -0.000008344
     33        1          -0.000012267    0.000022264    0.000008509
     34        6          -0.000012173   -0.000040552    0.000005771
     35        1          -0.000016413   -0.000022624    0.000005546
     36        1          -0.000018557   -0.000025713    0.000014453
     37        1          -0.000010505   -0.000015672   -0.000005796
     38        6          -0.000093817   -0.000018107   -0.000122167
     39        8           0.000022805   -0.000044268    0.000067478
     40        7           0.000039764   -0.000010342    0.000014601
     41        1          -0.000017415   -0.000010886   -0.000008963
     42        6          -0.000099576   -0.000077487    0.000072473
     43        1          -0.000007662    0.000005203    0.000024879
     44        1           0.000030494    0.000043080   -0.000039509
     45        1           0.000004583   -0.000019610    0.000032801
     46        6          -0.000038946   -0.000025926    0.000028054
     47        1          -0.000013865   -0.000043784   -0.000033775
     48        1          -0.000018564   -0.000031201   -0.000018182
     49        1          -0.000027844   -0.000043359    0.000000388
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000122167 RMS     0.000034121
 Leave Link  716 at Mon Nov 14 04:04:54 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000082473 RMS     0.000005983
 Search for a local minimum.
 Step number  87 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .59829D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   56   60   61   62   67
                                                     68   71   73   74   75
                                                     76   77   78   79   80
                                                     81   82   83   84   85
                                                     86   87
 DE= -7.14D-07 DEPred=-4.43D-07 R= 1.61D+00
 Trust test= 1.61D+00 RLast= 4.09D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0
 ITU=  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0
 ITU= -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  0
     Eigenvalues ---    0.00010   0.00057   0.00103   0.00116   0.00137
     Eigenvalues ---    0.00165   0.00195   0.00209   0.00256   0.00288
     Eigenvalues ---    0.00369   0.00436   0.00478   0.00579   0.00673
     Eigenvalues ---    0.00765   0.00780   0.00825   0.00828   0.00968
     Eigenvalues ---    0.01032   0.01104   0.01179   0.01202   0.01243
     Eigenvalues ---    0.01305   0.01409   0.01454   0.01508   0.01570
     Eigenvalues ---    0.01699   0.01727   0.01788   0.01812   0.01858
     Eigenvalues ---    0.01914   0.01987   0.02036   0.02118   0.02154
     Eigenvalues ---    0.02226   0.02319   0.02665   0.02669   0.02877
     Eigenvalues ---    0.03091   0.03152   0.03315   0.03859   0.04017
     Eigenvalues ---    0.04469   0.04797   0.05339   0.05571   0.05821
     Eigenvalues ---    0.06101   0.06224   0.06321   0.06481   0.06735
     Eigenvalues ---    0.07029   0.07223   0.07421   0.07532   0.07749
     Eigenvalues ---    0.07885   0.08100   0.08178   0.08264   0.08350
     Eigenvalues ---    0.08617   0.08718   0.09020   0.09139   0.09229
     Eigenvalues ---    0.09402   0.09672   0.09782   0.09916   0.09995
     Eigenvalues ---    0.10169   0.10433   0.10546   0.10796   0.10988
     Eigenvalues ---    0.11254   0.11300   0.11424   0.11570   0.13315
     Eigenvalues ---    0.13456   0.14236   0.14885   0.15152   0.15549
     Eigenvalues ---    0.15606   0.15978   0.21515   0.22555   0.23068
     Eigenvalues ---    0.23519   0.24608   0.24745   0.25949   0.26581
     Eigenvalues ---    0.27218   0.27375   0.28424   0.29255   0.29748
     Eigenvalues ---    0.29853   0.30867   0.32801   0.32825   0.32828
     Eigenvalues ---    0.32946   0.33301   0.33356   0.33374   0.33387
     Eigenvalues ---    0.33406   0.33427   0.33519   0.33604   0.33698
     Eigenvalues ---    0.33797   0.33820   0.33842   0.33924   0.33961
     Eigenvalues ---    0.34062   0.34203   0.34292   0.37301   0.39003
     Eigenvalues ---    0.40100   0.40936   0.85952   0.86210   0.86472
     Eigenvalues ---    0.92182
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    87   86   85   84   83
 RFO step:  Lambda=-9.63841228D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.41D-06 SmlDif=  1.00D-05
 RMS Error=  0.2829939196D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.01286   -0.79587   -0.81357    1.09228   -0.49570
 Iteration  1 RMS(Cart)=  0.00061291 RMS(Int)=  0.00000347
 Iteration  2 RMS(Cart)=  0.00000396 RMS(Int)=  0.00000064
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000064
 ITry= 1 IFail=0 DXMaxC= 5.74D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59507   0.00001   0.00052   0.00034   0.00086   6.59593
    R2        6.26467  -0.00001   0.00002  -0.00032  -0.00029   6.26438
    R3        7.25677   0.00000  -0.00059  -0.00021  -0.00080   7.25597
    R4        6.35374  -0.00001  -0.00147   0.00033  -0.00114   6.35260
    R5        6.53009   0.00000  -0.00028   0.00005  -0.00023   6.52985
    R6        5.97159  -0.00001   0.00163   0.00060   0.00223   5.97382
    R7        6.70040   0.00000   0.00013   0.00022   0.00035   6.70075
    R8        6.23113   0.00000  -0.00083   0.00006  -0.00077   6.23035
    R9        6.66392   0.00000  -0.00135   0.00008  -0.00127   6.66265
   R10        6.06734   0.00000  -0.00034   0.00032  -0.00003   6.06731
   R11        6.95616   0.00000  -0.00087  -0.00002  -0.00090   6.95527
   R12        6.02895   0.00000  -0.00050  -0.00005  -0.00055   6.02840
   R13        6.88827  -0.00002  -0.00005  -0.00005  -0.00010   6.88818
   R14        6.19670   0.00000   0.00060  -0.00029   0.00031   6.19702
   R15        6.86701   0.00001   0.00040  -0.00039   0.00002   6.86702
   R16        5.95098   0.00000   0.00066   0.00012   0.00078   5.95176
   R17        6.68625   0.00001   0.00107  -0.00014   0.00093   6.68718
   R18        6.57829   0.00000  -0.00038   0.00063   0.00026   6.57854
   R19        6.22240  -0.00001  -0.00014  -0.00009  -0.00024   6.22216
   R20        6.58060   0.00000  -0.00099  -0.00071  -0.00170   6.57890
   R21        6.04498   0.00001  -0.00141   0.00020  -0.00121   6.04377
   R22        7.01082   0.00000  -0.00086   0.00033  -0.00053   7.01029
   R23        6.01956  -0.00001  -0.00063   0.00037  -0.00026   6.01930
   R24        2.34971  -0.00001  -0.00003   0.00001  -0.00001   2.34970
   R25        2.57150   0.00001   0.00002   0.00000   0.00002   2.57152
   R26        2.09473   0.00000   0.00001   0.00000   0.00001   2.09474
   R27        2.76482   0.00004   0.00001   0.00008   0.00008   2.76490
   R28        2.76808   0.00003  -0.00001   0.00003   0.00002   2.76810
   R29        2.07653   0.00000   0.00001  -0.00001   0.00000   2.07653
   R30        2.08255  -0.00001  -0.00002   0.00005   0.00004   2.08259
   R31        2.08304  -0.00001  -0.00002   0.00001  -0.00001   2.08303
   R32        2.08107  -0.00001  -0.00002  -0.00002  -0.00004   2.08103
   R33        2.07461   0.00000   0.00002   0.00000   0.00002   2.07463
   R34        2.08351   0.00000   0.00000   0.00001   0.00000   2.08351
   R35        2.34876   0.00000  -0.00001   0.00000  -0.00001   2.34875
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   A199       1.32149   0.00000   0.00025   0.00014   0.00039   1.32188
   A200       1.60929   0.00000   0.00024   0.00030   0.00054   1.60983
   A201       1.34299   0.00000   0.00010   0.00035   0.00045   1.34344
   A202       0.71072   0.00000  -0.00008   0.00004  -0.00005   0.71068
   A203       2.63803   0.00001   0.00022   0.00027   0.00050   2.63853
   A204       2.25331   0.00000   0.00022   0.00030   0.00052   2.25383
   A205       2.05337   0.00000   0.00029   0.00021   0.00050   2.05387
   A206       1.73350   0.00000   0.00023   0.00017   0.00041   1.73391
   A207       1.94598   0.00001   0.00012   0.00034   0.00045   1.94643
   A208       1.66390   0.00000   0.00003   0.00036   0.00039   1.66429
   A209       0.83502   0.00000  -0.00018  -0.00004  -0.00023   0.83480
   A210       2.66362   0.00000  -0.00015   0.00011  -0.00005   2.66358
   A211       2.37460   0.00000  -0.00005   0.00019   0.00013   2.37473
   A212       2.29266   0.00000   0.00014   0.00018   0.00033   2.29299
   A213       1.97655   0.00000   0.00011   0.00011   0.00023   1.97678
   A214       1.99780   0.00000  -0.00015   0.00020   0.00005   1.99785
   A215       1.72042   0.00000  -0.00016   0.00020   0.00004   1.72047
   A216       1.92815   0.00001   0.00029   0.00024   0.00052   1.92868
   A217       1.55862   0.00000   0.00023   0.00026   0.00050   1.55911
   A218       1.48593   0.00001   0.00021   0.00021   0.00042   1.48635
   A219       1.19410   0.00000   0.00016   0.00008   0.00024   1.19434
   A220       1.23620   0.00000   0.00022   0.00030   0.00052   1.23672
   A221       0.95584   0.00000   0.00013   0.00033   0.00046   0.95629
   A222       0.72530   0.00001   0.00005   0.00001   0.00006   0.72536
   A223       1.01730   0.00001   0.00011  -0.00001   0.00011   1.01740
   A224       0.69752   0.00001   0.00008  -0.00006   0.00002   0.69754
   A225       0.98086   0.00001   0.00014  -0.00007   0.00007   0.98093
   A226       0.65829   0.00000   0.00011  -0.00001   0.00010   0.65839
   A227       0.66234   0.00000   0.00004  -0.00001   0.00003   0.66237
   A228       0.70383   0.00000   0.00013   0.00002   0.00015   0.70398
   A229       0.85017   0.00000   0.00002   0.00008   0.00009   0.85027
   A230       0.75853   0.00000   0.00017  -0.00009   0.00009   0.75861
   A231       0.78216   0.00000   0.00000  -0.00003  -0.00003   0.78213
   A232       1.58852   0.00001   0.00016   0.00029   0.00045   1.58897
   A233       1.86330   0.00002   0.00006  -0.00006   0.00000   1.86330
   A234       2.19025   0.00000   0.00000   0.00001   0.00000   2.19025
   A235       2.12908  -0.00001  -0.00001   0.00003   0.00003   2.12911
   A236       1.96347   0.00001   0.00001  -0.00004  -0.00002   1.96345
   A237       2.12387   0.00000  -0.00010   0.00009  -0.00001   2.12386
   A238       2.12643   0.00001  -0.00019   0.00003  -0.00016   2.12626
   A239       2.03222  -0.00001   0.00029  -0.00010   0.00019   2.03241
   A240       1.83004   0.00000   0.00055  -0.00071  -0.00017   1.82987
   A241       2.54436  -0.00001  -0.00053   0.00066   0.00012   2.54449
   A242       1.91396   0.00000  -0.00002  -0.00005  -0.00007   1.91389
   A243       1.91690  -0.00001   0.00010  -0.00012  -0.00002   1.91689
   A244       1.91650   0.00000   0.00002   0.00001   0.00004   1.91654
   A245       1.90999  -0.00001  -0.00018   0.00010  -0.00008   1.90992
   A246       1.90812   0.00001  -0.00003   0.00007   0.00004   1.90815
   A247       1.89824   0.00001   0.00011  -0.00002   0.00009   1.89833
   A248       1.28602   0.00000  -0.00131  -0.00016  -0.00147   1.28454
   A249       1.90421  -0.00001   0.00001  -0.00011  -0.00010   1.90411
   A250       1.90921  -0.00001  -0.00007   0.00005  -0.00002   1.90919
   A251       1.92814   0.00000   0.00015   0.00000   0.00015   1.92829
   A252       1.91119   0.00001  -0.00019   0.00005  -0.00014   1.91104
   A253       1.89791   0.00000   0.00010   0.00003   0.00013   1.89804
   A254       1.91306   0.00001   0.00000  -0.00002  -0.00002   1.91303
   A255       1.72247   0.00001   0.00033   0.00017   0.00050   1.72296
   A256       1.76527  -0.00001   0.00000  -0.00015  -0.00015   1.76513
   A257       2.19136   0.00001  -0.00004   0.00001  -0.00002   2.19134
   A258       2.12967   0.00000   0.00004  -0.00002   0.00002   2.12969
   A259       1.96194   0.00000   0.00000   0.00000   0.00000   1.96194
   A260       2.12555   0.00000  -0.00004  -0.00003  -0.00007   2.12548
   A261       2.12283   0.00000  -0.00001  -0.00001  -0.00002   2.12281
   A262       2.03451   0.00001   0.00005   0.00005   0.00010   2.03461
   A263       1.36037  -0.00001  -0.00080  -0.00020  -0.00100   1.35937
   A264       1.90120   0.00000  -0.00008  -0.00003  -0.00011   1.90109
   A265       1.93084   0.00000   0.00006   0.00003   0.00009   1.93093
   A266       1.90982  -0.00001  -0.00006  -0.00002  -0.00008   1.90974
   A267       1.89669   0.00000   0.00004   0.00003   0.00007   1.89676
   A268       1.91385   0.00000   0.00000  -0.00003  -0.00003   1.91382
   A269       1.91132   0.00001   0.00004   0.00002   0.00007   1.91138
   A270       2.67104   0.00000   0.00021   0.00004   0.00025   2.67129
   A271       1.69204   0.00000  -0.00017  -0.00004  -0.00020   1.69183
   A272       1.92497   0.00000  -0.00003   0.00000  -0.00003   1.92494
   A273       1.91270   0.00000   0.00005   0.00000   0.00005   1.91276
   A274       1.91363   0.00001   0.00000  -0.00001  -0.00001   1.91362
   A275       1.89418   0.00000   0.00000   0.00003   0.00004   1.89421
   A276       1.91105   0.00000  -0.00002  -0.00001  -0.00003   1.91101
   A277       1.90711   0.00000  -0.00001  -0.00001  -0.00001   1.90710
   A278       1.81036  -0.00001   0.00047   0.00016   0.00063   1.81099
   A279       1.75172   0.00001  -0.00097  -0.00003  -0.00100   1.75071
   A280       2.18984   0.00000   0.00011  -0.00006   0.00004   2.18988
   A281       2.13057   0.00000   0.00000   0.00007   0.00006   2.13063
   A282       1.96271   0.00000  -0.00011   0.00000  -0.00011   1.96260
   A283       2.12291   0.00000  -0.00005  -0.00001  -0.00006   2.12285
   A284       2.11510   0.00000   0.00009  -0.00002   0.00006   2.11516
   A285       2.04219   0.00000  -0.00002   0.00003   0.00000   2.04220
   A286       2.69532   0.00002   0.00044   0.00047   0.00092   2.69624
   A287       1.66369  -0.00002  -0.00041  -0.00044  -0.00085   1.66284
   A288       1.92593   0.00001  -0.00007   0.00002  -0.00005   1.92587
   A289       1.91559  -0.00001  -0.00004  -0.00001  -0.00005   1.91554
   A290       1.91258   0.00000   0.00001  -0.00002  -0.00002   1.91256
   A291       1.89065   0.00001   0.00013   0.00004   0.00017   1.89082
   A292       1.91246   0.00000  -0.00001  -0.00002  -0.00003   1.91243
   A293       1.90641   0.00000  -0.00001  -0.00001  -0.00001   1.90640
   A294       1.35058   0.00000   0.00039  -0.00005   0.00033   1.35091
   A295       1.15355   0.00000  -0.00043   0.00014  -0.00029   1.15327
   A296       1.93292   0.00000   0.00011  -0.00002   0.00009   1.93301
   A297       1.90707   0.00000  -0.00003   0.00003   0.00000   1.90707
   A298       1.90188   0.00000  -0.00008   0.00001  -0.00007   1.90181
   A299       1.90925   0.00000   0.00010  -0.00002   0.00008   1.90933
   A300       1.89833   0.00000  -0.00001   0.00001   0.00000   1.89833
   A301       1.91430   0.00000  -0.00009  -0.00001  -0.00010   1.91420
   A302       1.64676   0.00000  -0.00013   0.00001  -0.00012   1.64664
   A303       1.80568   0.00001   0.00013   0.00015   0.00027   1.80596
   A304       2.18957  -0.00001   0.00005  -0.00004   0.00001   2.18958
   A305       2.12990   0.00000  -0.00008   0.00005  -0.00003   2.12987
   A306       1.96335   0.00001   0.00003  -0.00002   0.00001   1.96336
   A307       2.12570   0.00000  -0.00022   0.00002  -0.00020   2.12550
   A308       2.12378  -0.00001   0.00001  -0.00005  -0.00004   2.12374
   A309       2.03040   0.00001   0.00016   0.00005   0.00021   2.03061
   A310       1.30713   0.00000  -0.00025  -0.00062  -0.00086   1.30627
   A311       3.04302   0.00001   0.00004   0.00067   0.00071   3.04373
   A312       1.91176   0.00000  -0.00011   0.00003  -0.00008   1.91168
   A313       1.92838   0.00000   0.00036  -0.00002   0.00033   1.92871
   A314       1.90268  -0.00001   0.00008  -0.00002   0.00006   1.90274
   A315       1.91242  -0.00001  -0.00017  -0.00010  -0.00026   1.91216
   A316       1.91169   0.00001  -0.00019   0.00003  -0.00016   1.91153
   A317       1.89675   0.00001   0.00002   0.00008   0.00011   1.89687
   A318       1.78760  -0.00001  -0.00049   0.00018  -0.00031   1.78729
   A319       1.91593   0.00000   0.00004  -0.00008  -0.00005   1.91588
   A320       1.91461  -0.00001   0.00003   0.00003   0.00005   1.91466
   A321       1.92001   0.00000   0.00011   0.00001   0.00012   1.92014
   A322       1.90726   0.00000   0.00006  -0.00002   0.00004   1.90729
   A323       1.91039   0.00001  -0.00015   0.00004  -0.00011   1.91027
   A324       1.89546   0.00000  -0.00008   0.00003  -0.00005   1.89540
   A325       2.94016   0.00000  -0.00014   0.00003  -0.00011   2.94005
   A326       3.36342   0.00000   0.00032   0.00027   0.00059   3.36401
   A327       3.08222   0.00000   0.00026   0.00026   0.00052   3.08274
   A328       3.19907   0.00000  -0.00131  -0.00018  -0.00150   3.19758
   A329       3.27169   0.00000  -0.00076  -0.00018  -0.00094   3.27075
   A330       3.25983   0.00000   0.00048  -0.00007   0.00041   3.26025
   A331       3.69798  -0.00001  -0.00064   0.00022  -0.00042   3.69756
   A332       3.21615   0.00001   0.00076  -0.00006   0.00070   3.21685
   A333       2.97834   0.00000  -0.00012  -0.00026  -0.00038   2.97796
   A334       2.91085   0.00001  -0.00012  -0.00022  -0.00033   2.91052
   A335       3.23071   0.00000  -0.00041  -0.00025  -0.00065   3.23005
   A336       3.07635   0.00000   0.00016   0.00007   0.00023   3.07658
   A337       3.10339   0.00000  -0.00024   0.00013  -0.00012   3.10328
   A338       3.04585   0.00000  -0.00017   0.00012  -0.00005   3.04580
    D1        2.75787   0.00000   0.00007  -0.00009  -0.00003   2.75784
    D2       -1.36175   0.00001   0.00013   0.00004   0.00017  -1.36158
    D3        2.78063   0.00001   0.00037  -0.00044  -0.00007   2.78056
    D4       -1.33899   0.00001   0.00043  -0.00031   0.00013  -1.33887
    D5        1.66224   0.00000  -0.00017  -0.00009  -0.00026   1.66198
    D6       -2.45738   0.00000  -0.00011   0.00004  -0.00007  -2.45745
    D7        1.84291   0.00001   0.00005  -0.00001   0.00004   1.84295
    D8       -2.27671   0.00001   0.00012   0.00011   0.00023  -2.27648
    D9        0.32159  -0.00001  -0.00041  -0.00048  -0.00089   0.32070
   D10        2.48515  -0.00001  -0.00035  -0.00035  -0.00070   2.48446
   D11        0.03420   0.00000  -0.00030  -0.00040  -0.00070   0.03351
   D12        2.19777   0.00000  -0.00024  -0.00027  -0.00050   2.19727
   D13       -0.43552   0.00000  -0.00039  -0.00038  -0.00077  -0.43629
   D14        1.72804   0.00000  -0.00033  -0.00025  -0.00058   1.72747
   D15       -0.55779   0.00000  -0.00019  -0.00031  -0.00050  -0.55829
   D16        1.60577   0.00000  -0.00013  -0.00018  -0.00030   1.60547
   D17        0.21321   0.00000  -0.00019  -0.00032  -0.00051   0.21269
   D18        2.37677   0.00000  -0.00013  -0.00019  -0.00032   2.37645
   D19        0.14572   0.00000  -0.00020  -0.00027  -0.00047   0.14525
   D20        2.30928   0.00000  -0.00013  -0.00015  -0.00028   2.30901
   D21        2.40173   0.00000  -0.00045  -0.00026  -0.00072   2.40102
   D22       -1.71789   0.00000  -0.00039  -0.00013  -0.00052  -1.71841
   D23        2.15921   0.00000  -0.00053  -0.00034  -0.00087   2.15834
   D24       -1.96041   0.00000  -0.00047  -0.00021  -0.00067  -1.96108
   D25        1.71692   0.00000  -0.00049  -0.00035  -0.00084   1.71608
   D26       -2.40270   0.00000  -0.00043  -0.00022  -0.00065  -2.40335
   D27        1.41045   0.00000  -0.00048  -0.00038  -0.00085   1.40960
   D28       -2.70917   0.00000  -0.00041  -0.00025  -0.00066  -2.70983
   D29        2.37042  -0.00001  -0.00073  -0.00042  -0.00115   2.36927
   D30       -1.74920  -0.00001  -0.00066  -0.00029  -0.00096  -1.75016
   D31       -1.75060   0.00001   0.00003  -0.00010  -0.00007  -1.75067
   D32        0.41296   0.00001   0.00010   0.00003   0.00013   0.41309
   D33       -2.10120   0.00000   0.00008  -0.00002   0.00006  -2.10114
   D34        0.06237   0.00000   0.00015   0.00011   0.00026   0.06262
   D35       -2.47561   0.00000  -0.00003  -0.00012  -0.00014  -2.47575
   D36       -0.31204   0.00000   0.00004   0.00001   0.00005  -0.31199
   D37       -2.76513   0.00000  -0.00008  -0.00006  -0.00014  -2.76527
   D38       -0.60157   0.00000  -0.00001   0.00007   0.00006  -0.60151
   D39       -2.12806   0.00001   0.00028   0.00013   0.00041  -2.12765
   D40        0.03551   0.00001   0.00034   0.00026   0.00060   0.03611
   D41       -2.36974   0.00001   0.00005   0.00038   0.00043  -2.36930
   D42       -0.20617   0.00001   0.00011   0.00051   0.00063  -0.20554
   D43        1.26300   0.00000  -0.00030   0.00044   0.00014   1.26314
   D44       -1.92657   0.00000  -0.00086   0.00074  -0.00013  -1.92669
   D45        2.45780   0.00000  -0.00051   0.00039  -0.00012   2.45768
   D46       -0.73177   0.00001  -0.00107   0.00069  -0.00038  -0.73215
   D47        2.94332   0.00000  -0.00041   0.00044   0.00003   2.94334
   D48       -0.24625   0.00000  -0.00097   0.00073  -0.00024  -0.24649
   D49        2.87163   0.00000  -0.00055   0.00030  -0.00026   2.87137
   D50       -0.31794   0.00001  -0.00112   0.00059  -0.00052  -0.31847
   D51        2.05396  -0.00001  -0.00087   0.00002  -0.00085   2.05311
   D52       -1.13561   0.00000  -0.00144   0.00032  -0.00112  -1.13673
   D53        1.16008  -0.00001  -0.00119  -0.00012  -0.00132   1.15876
   D54       -2.02949  -0.00001  -0.00176   0.00017  -0.00158  -2.03107
   D55        1.01701  -0.00001  -0.00060   0.00016  -0.00044   1.01657
   D56       -2.17256  -0.00001  -0.00116   0.00046  -0.00071  -2.17327
   D57        2.02548   0.00000  -0.00060   0.00022  -0.00038   2.02509
   D58       -1.16409   0.00000  -0.00117   0.00052  -0.00065  -1.16474
   D59        1.82896   0.00000  -0.00060   0.00028  -0.00032   1.82863
   D60       -1.36061   0.00000  -0.00116   0.00057  -0.00059  -1.36120
   D61       -2.27613  -0.00001  -0.00082   0.00029  -0.00053  -2.27666
   D62        0.81749   0.00000  -0.00138   0.00059  -0.00079   0.81669
   D63       -2.41049   0.00000  -0.00076   0.00027  -0.00049  -2.41098
   D64        0.68313   0.00000  -0.00132   0.00057  -0.00075   0.68237
   D65       -2.81304   0.00000  -0.00073   0.00023  -0.00050  -2.81353
   D66        0.28058   0.00000  -0.00130   0.00053  -0.00076   0.27982
   D67       -2.98975   0.00000  -0.00065   0.00028  -0.00038  -2.99013
   D68        0.10387   0.00000  -0.00122   0.00057  -0.00064   0.10322
   D69       -2.13374   0.00000  -0.00079   0.00026  -0.00052  -2.13426
   D70        0.95988   0.00000  -0.00135   0.00056  -0.00079   0.95909
   D71       -0.16027   0.00001  -0.00040   0.00052   0.00012  -0.16015
   D72        2.93335   0.00001  -0.00097   0.00082  -0.00015   2.93320
   D73       -0.55855   0.00000  -0.00048   0.00054   0.00007  -0.55849
   D74        2.53506   0.00000  -0.00104   0.00084  -0.00020   2.53486
   D75       -0.72578   0.00000  -0.00058   0.00043  -0.00016  -0.72593
   D76        2.36784   0.00000  -0.00115   0.00072  -0.00042   2.36742
   D77       -1.06329   0.00000  -0.00061   0.00036  -0.00025  -1.06354
   D78        2.03033   0.00000  -0.00118   0.00066  -0.00052   2.02981
   D79       -0.84376   0.00000  -0.00043   0.00065   0.00022  -0.84354
   D80        2.24986   0.00000  -0.00099   0.00094  -0.00005   2.24981
   D81       -1.14653   0.00000  -0.00056   0.00068   0.00012  -1.14641
   D82        1.94709   0.00000  -0.00112   0.00097  -0.00015   1.94694
   D83       -1.53190   0.00000  -0.00045  -0.00020  -0.00066  -1.53256
   D84       -2.60756   0.00000  -0.00044  -0.00027  -0.00071  -2.60826
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   D308       1.52661   0.00000  -0.00021   0.00009  -0.00012   1.52650
   D309      -2.68884   0.00000  -0.00035   0.00005  -0.00031  -2.68915
   D310       2.62687   0.00000  -0.00016   0.00010  -0.00006   2.62681
   D311      -1.58858   0.00000  -0.00031   0.00005  -0.00025  -1.58883
   D312       3.01000   0.00000  -0.00006   0.00022   0.00016   3.01016
   D313      -1.20545   0.00000  -0.00020   0.00017  -0.00003  -1.20548
   D314      -0.47828   0.00000  -0.00056   0.00010  -0.00046  -0.47875
   D315       1.58945   0.00000  -0.00071   0.00005  -0.00065   1.58880
   D316      -0.31975   0.00000  -0.00059   0.00008  -0.00051  -0.32026
   D317       1.74798   0.00000  -0.00073   0.00004  -0.00069   1.74728
   D318       0.10726   0.00000  -0.00053   0.00011  -0.00042   0.10684
   D319       2.17499   0.00000  -0.00068   0.00007  -0.00061   2.17438
   D320       0.24274   0.00000  -0.00052  -0.00007  -0.00059   0.24214
   D321       2.31047   0.00000  -0.00067  -0.00012  -0.00078   2.30969
   D322      -0.56812   0.00000  -0.00065   0.00010  -0.00055  -0.56867
   D323       1.49961   0.00000  -0.00079   0.00005  -0.00074   1.49888
   D324      -0.61444   0.00000  -0.00044  -0.00001  -0.00045  -0.61489
   D325       1.45330   0.00000  -0.00059  -0.00006  -0.00064   1.45266
   D326       0.09381   0.00000  -0.00040  -0.00022  -0.00062   0.09319
   D327       2.26528   0.00000  -0.00049  -0.00013  -0.00062   2.26466
   D328       0.39788  -0.00001  -0.00042  -0.00023  -0.00066   0.39722
   D329       2.56934  -0.00001  -0.00052  -0.00014  -0.00066   2.56869
   D330       0.76517   0.00000  -0.00038  -0.00020  -0.00058   0.76459
   D331       2.93664   0.00000  -0.00047  -0.00011  -0.00058   2.93606
   D332       1.04514   0.00000  -0.00038  -0.00017  -0.00056   1.04458
   D333      -3.06658   0.00000  -0.00048  -0.00008  -0.00056  -3.06713
   D334       0.33158  -0.00001  -0.00057  -0.00025  -0.00082   0.33076
   D335       2.50305  -0.00001  -0.00066  -0.00015  -0.00082   2.50223
   D336       0.72426   0.00000  -0.00038  -0.00028  -0.00066   0.72360
   D337       2.89573   0.00000  -0.00048  -0.00018  -0.00066   2.89507
   D338      -2.32268   0.00000  -0.00034  -0.00012  -0.00047  -2.32314
   D339      -0.15121   0.00000  -0.00044  -0.00003  -0.00047  -0.15168
   D340      -1.94654   0.00000  -0.00036  -0.00017  -0.00053  -1.94707
   D341       0.22493   0.00000  -0.00046  -0.00007  -0.00053   0.22439
   D342      -1.89770   0.00000  -0.00029  -0.00021  -0.00050  -1.89820
   D343       0.27377   0.00000  -0.00038  -0.00012  -0.00050   0.27327
   D344      -1.59895   0.00000  -0.00005  -0.00018  -0.00023  -1.59918
   D345       0.57252   0.00000  -0.00014  -0.00009  -0.00023   0.57229
   D346      -1.57855   0.00000  -0.00039  -0.00018  -0.00057  -1.57912
   D347       0.59292   0.00000  -0.00049  -0.00008  -0.00057   0.59235
   D348      -1.27815   0.00000  -0.00034  -0.00020  -0.00054  -1.27870
   D349       0.89332   0.00000  -0.00044  -0.00011  -0.00054   0.89277
   D350       1.86439   0.00000  -0.00007  -0.00012  -0.00019   1.86420
   D351      -2.24733   0.00000  -0.00017  -0.00002  -0.00019  -2.24752
   D352       2.30239   0.00000   0.00012  -0.00009   0.00004   2.30243
   D353      -1.80933   0.00000   0.00003   0.00001   0.00003  -1.80929
   D354       2.56869   0.00000   0.00052  -0.00004   0.00047   2.56916
   D355      -1.54303   0.00000   0.00042   0.00005   0.00047  -1.54256
   D356      -3.08573   0.00001   0.00061   0.00031   0.00091  -3.08481
   D357      -0.91426   0.00001   0.00051   0.00040   0.00091  -0.91334
   D358       2.61795   0.00000  -0.00001  -0.00001  -0.00003   2.61793
   D359      -1.49376   0.00000  -0.00011   0.00008  -0.00003  -1.49379
   D360       1.63864   0.00000  -0.00002  -0.00005  -0.00007   1.63857
   D361      -2.47308   0.00000  -0.00012   0.00005  -0.00007  -2.47315
   D362       1.81183   0.00000  -0.00006   0.00015   0.00010   1.81193
   D363      -2.29989   0.00000  -0.00015   0.00025   0.00010  -2.29979
   D364       2.75026   0.00000   0.00011   0.00001   0.00012   2.75039
   D365      -1.36145   0.00000   0.00001   0.00011   0.00012  -1.36133
   D366       2.75177   0.00000  -0.00013   0.00013   0.00000   2.75177
   D367      -1.35995   0.00000  -0.00023   0.00023   0.00000  -1.35995
   D368       0.06897  -0.00001   0.00000  -0.00055  -0.00055   0.06843
   D369      -2.42304   0.00000   0.00628   0.00247   0.00876  -2.41429
   D370       0.46833   0.00000  -0.00002  -0.00056  -0.00058   0.46775
   D371      -2.02368   0.00000   0.00626   0.00246   0.00872  -2.01497
   D372       0.68114   0.00000  -0.00008  -0.00053  -0.00060   0.68054
   D373      -1.81087   0.00000   0.00620   0.00250   0.00870  -1.80218
   D374       0.95175   0.00000  -0.00026  -0.00036  -0.00062   0.95113
   D375      -1.54026   0.00000   0.00602   0.00266   0.00868  -1.53159
   D376       0.70972   0.00000  -0.00002  -0.00055  -0.00057   0.70915
   D377      -1.78229   0.00000   0.00626   0.00247   0.00873  -1.77356
   D378       1.05095   0.00000   0.00003  -0.00056  -0.00053   1.05041
   D379      -1.44107   0.00000   0.00631   0.00246   0.00877  -1.43230
   D380      -2.74014   0.00000   0.00021  -0.00027  -0.00006  -2.74020
   D381       1.05103   0.00000   0.00649   0.00276   0.00924   1.06027
   D382      -2.19386   0.00000  -0.00006  -0.00037  -0.00043  -2.19429
   D383       1.59732   0.00000   0.00622   0.00265   0.00887   1.60619
   D384      -1.95686   0.00000   0.00006  -0.00044  -0.00037  -1.95723
   D385       1.83431   0.00000   0.00634   0.00259   0.00893   1.84324
   D386      -1.62866   0.00000   0.00020  -0.00045  -0.00025  -1.62891
   D387       2.16252   0.00000   0.00648   0.00258   0.00905   2.17157
   D388      -1.69192   0.00000  -0.00052  -0.00054  -0.00106  -1.69298
   D389       2.09925   0.00000   0.00576   0.00248   0.00824   2.10749
   D390      -1.11994   0.00000  -0.00042  -0.00069  -0.00111  -1.12105
   D391       2.67123   0.00000   0.00586   0.00233   0.00819   2.67942
   D392       1.80254   0.00000   0.00010  -0.00041  -0.00031   1.80223
   D393      -0.68947   0.00000   0.00638   0.00261   0.00899  -0.68048
   D394       2.10556   0.00000   0.00017  -0.00045  -0.00027   2.10528
   D395      -0.38646   0.00000   0.00645   0.00258   0.00903  -0.37743
   D396       2.05968  -0.00001   0.00028  -0.00051  -0.00023   2.05945
   D397      -0.43234   0.00000   0.00656   0.00251   0.00907  -0.42327
   D398       2.26733   0.00000   0.00054  -0.00035   0.00019   2.26752
   D399      -0.22468   0.00000   0.00682   0.00267   0.00949  -0.21519
   D400       2.50318   0.00000   0.00006  -0.00043  -0.00037   2.50281
   D401       0.01117   0.00000   0.00634   0.00260   0.00893   0.02010
   D402      -1.53385   0.00000   0.00021  -0.00033  -0.00012  -1.53396
   D403       2.25733   0.00000   0.00649   0.00270   0.00918   2.26651
   D404      -2.63063   0.00000   0.00020  -0.00020   0.00000  -2.63063
   D405       1.16054   0.00000   0.00648   0.00282   0.00930   1.16985
   D406      -2.97884   0.00000   0.00003  -0.00012  -0.00008  -2.97893
   D407       0.81233   0.00000   0.00631   0.00291   0.00922   0.82155
   D408       1.91665  -0.00001  -0.00019  -0.00056  -0.00076   1.91590
   D409       2.41488  -0.00001  -0.00008  -0.00063  -0.00071   2.41417
   D410       2.64438   0.00000  -0.00002  -0.00048  -0.00050   2.64388
   D411       2.87670   0.00000  -0.00020  -0.00023  -0.00043   2.87627
   D412       2.84804   0.00000   0.00009  -0.00078  -0.00069   2.84735
   D413      -2.93954   0.00000   0.00022  -0.00067  -0.00045  -2.93999
   D414      -0.75156   0.00000   0.00020  -0.00021  -0.00001  -0.75158
   D415      -0.37180   0.00000   0.00016  -0.00020  -0.00004  -0.37184
   D416      -0.05999   0.00000   0.00031  -0.00025   0.00006  -0.05994
   D417       0.24818   0.00000   0.00034  -0.00024   0.00010   0.24828
   D418      -0.24024   0.00000   0.00005  -0.00015  -0.00010  -0.24033
   D419       0.06928   0.00000  -0.00001  -0.00020  -0.00021   0.06907
   D420      -2.55919   0.00000   0.00039  -0.00022   0.00017  -2.55902
   D421      -2.17760   0.00000   0.00040  -0.00021   0.00019  -2.17741
   D422      -1.92973   0.00000   0.00055  -0.00020   0.00035  -1.92938
   D423      -1.61562   0.00000   0.00059  -0.00009   0.00049  -1.61513
   D424      -1.96716   0.00000   0.00021  -0.00021   0.00000  -1.96716
   D425       1.30566   0.00000   0.00030  -0.00021   0.00010   1.30575
   D426       2.47090   0.00000   0.00023  -0.00015   0.00008   2.47098
   D427       2.94588   0.00000   0.00021  -0.00003   0.00018   2.94606
   D428      -3.07322   0.00000   0.00011  -0.00036  -0.00025  -3.07347
   D429       0.02780   0.00000  -0.00003   0.00013   0.00009   0.02789
   D430       0.03915   0.00002   0.00018  -0.00032  -0.00014   0.03900
   D431       3.14016   0.00002   0.00003   0.00016   0.00020   3.14036
   D432      -0.08283   0.00001  -0.00067   0.00118   0.00051  -0.08232
   D433       2.01672   0.00000  -0.00085   0.00121   0.00036   2.01708
   D434      -2.17981   0.00000  -0.00064   0.00112   0.00048  -2.17933
   D435       3.09727   0.00001  -0.00052   0.00072   0.00019   3.09746
   D436      -1.08637  -0.00001  -0.00070   0.00074   0.00004  -1.08633
   D437       1.00028   0.00000  -0.00049   0.00066   0.00017   1.00045
   D438      -2.36556  -0.00001  -0.00140  -0.00069  -0.00210  -2.36766
   D439      -0.27525  -0.00001  -0.00167  -0.00067  -0.00234  -0.27760
   D440       1.83212  -0.00001  -0.00163  -0.00066  -0.00229   1.82983
   D441       0.73747  -0.00001  -0.00155  -0.00023  -0.00178   0.73570
   D442       2.82778  -0.00001  -0.00182  -0.00020  -0.00202   2.82576
   D443      -1.34803  -0.00001  -0.00178  -0.00019  -0.00197  -1.35000
   D444      -0.00159   0.00001   0.00022   0.00012   0.00034  -0.00125
   D445       3.11323   0.00001   0.00034   0.00016   0.00051   3.11373
   D446      -3.12159   0.00001   0.00019   0.00015   0.00033  -3.12125
   D447      -0.00677   0.00001   0.00031   0.00019   0.00050  -0.00627
   D448       2.41671   0.00000   0.00105   0.00026   0.00131   2.41802
   D449      -1.78271   0.00000   0.00109   0.00029   0.00138  -1.78133
   D450       0.32461   0.00001   0.00114   0.00032   0.00146   0.32607
   D451      -0.69939   0.00000   0.00094   0.00022   0.00115  -0.69824
   D452       1.38438   0.00000   0.00097   0.00025   0.00122   1.38560
   D453      -2.79149   0.00001   0.00103   0.00028   0.00130  -2.79018
   D454       2.05648   0.00000  -0.00065  -0.00010  -0.00076   2.05573
   D455      -2.14242   0.00000  -0.00063  -0.00006  -0.00070  -2.14312
   D456      -0.04923   0.00000  -0.00061  -0.00008  -0.00069  -0.04992
   D457      -1.11056   0.00000  -0.00054  -0.00006  -0.00060  -1.11116
   D458       0.97372   0.00000  -0.00052  -0.00002  -0.00054   0.97318
   D459       3.06691   0.00000  -0.00049  -0.00004  -0.00053   3.06638
   D460      -3.08246  -0.00001   0.00051   0.00017   0.00068  -3.08179
   D461      -0.02630  -0.00001   0.00067   0.00006   0.00073  -0.02557
   D462       0.07212  -0.00001   0.00075   0.00007   0.00082   0.07294
   D463       3.12828  -0.00001   0.00092  -0.00004   0.00088   3.12916
   D464       1.93618  -0.00002  -0.00014  -0.00060  -0.00074   1.93544
   D465      -2.26467   0.00000  -0.00006  -0.00055  -0.00061  -2.26528
   D466      -0.17121  -0.00001  -0.00009  -0.00058  -0.00067  -0.17188
   D467      -1.12339  -0.00002  -0.00031  -0.00049  -0.00080  -1.12419
   D468       0.95894  -0.00001  -0.00022  -0.00044  -0.00066   0.95828
   D469       3.05240  -0.00001  -0.00025  -0.00047  -0.00072   3.05168
   D470      -1.63570   0.00000  -0.00078   0.00027  -0.00051  -1.63621
   D471       0.46859   0.00000  -0.00061   0.00026  -0.00035   0.46824
   D472       2.56000   0.00000  -0.00079   0.00027  -0.00052   2.55949
   D473       1.42426   0.00000  -0.00062   0.00016  -0.00045   1.42380
   D474      -2.75464   0.00000  -0.00045   0.00015  -0.00030  -2.75494
   D475      -0.66322   0.00000  -0.00063   0.00016  -0.00047  -0.66369
   D476       0.00489   0.00001  -0.00030   0.00007  -0.00023   0.00466
   D477      -3.04634   0.00001   0.00054  -0.00021   0.00033  -3.04601
   D478       3.11795   0.00001  -0.00027  -0.00003  -0.00030   3.11765
   D479       0.06672   0.00001   0.00057  -0.00032   0.00025   0.06698
   D480      -0.30172   0.00000   0.00023  -0.00084  -0.00061  -0.30233
   D481       1.80666  -0.00001   0.00017  -0.00095  -0.00078   1.80588
   D482      -2.39325   0.00000   0.00047  -0.00087  -0.00040  -2.39365
   D483       2.75408   0.00000  -0.00058  -0.00057  -0.00115   2.75293
   D484      -1.42072  -0.00001  -0.00063  -0.00068  -0.00132  -1.42204
   D485       0.66256   0.00000  -0.00034  -0.00061  -0.00094   0.66161
   D486      -0.09462   0.00001   0.00021   0.00024   0.00045  -0.09417
   D487       2.00135   0.00000   0.00032   0.00018   0.00050   2.00185
   D488      -2.19785   0.00000   0.00030   0.00024   0.00054  -2.19731
   D489       3.13266   0.00001   0.00102  -0.00003   0.00100   3.13366
   D490      -1.05455   0.00000   0.00114  -0.00009   0.00105  -1.05351
   D491       1.02943   0.00000   0.00112  -0.00003   0.00109   1.03052
         Item               Value     Threshold  Converged?
 Maximum Force            0.000082     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.005737     0.001800     NO 
 RMS     Displacement     0.000617     0.001200     YES
 Predicted change in Energy=-2.684168D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:04:55 2016, MaxMem=  2952790016 cpu:         8.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.826867   -0.587304    1.667194
      2          6           0       -2.068644    1.118447   -1.368423
      3          8           0       -2.620394    0.139439   -1.900570
      4          7           0       -0.776328    1.163159   -0.944557
      5          1           0       -2.615256    2.060655   -1.162971
      6          6           0       -0.234693    2.332557   -0.251829
      7          1           0       -0.989833    3.130464   -0.227582
      8          1           0        0.044330    2.060419    0.779006
      9          1           0        0.663168    2.695821   -0.778075
     10          6           0        0.131581    0.026026   -1.112815
     11          1           0        0.696672   -0.124976   -0.179761
     12          1           0       -0.452094   -0.876192   -1.337746
     13          1           0        0.844345    0.219257   -1.931496
     14          6           0       -2.004623   -3.998262    2.619590
     15          8           0       -2.125530   -3.845079    3.847081
     16          7           0       -2.946001   -3.688448    1.686937
     17          1           0       -1.075112   -4.395876    2.165778
     18          6           0       -4.244910   -3.122946    2.060011
     19          1           0       -4.506437   -2.326472    1.345210
     20          1           0       -5.029460   -3.897370    2.028444
     21          1           0       -4.183400   -2.704444    3.072767
     22          6           0       -2.698942   -3.873086    0.256625
     23          1           0       -3.408084   -4.605794   -0.162375
     24          1           0       -2.835129   -2.913528   -0.268980
     25          1           0       -1.670567   -4.228372    0.102234
     26          6           0        1.559402    0.378060    2.609406
     27          8           0        1.394576    1.396828    3.301575
     28          7           0        1.175194   -0.881322    2.953710
     29          1           0        2.039595    0.415975    1.611724
     30          6           0        1.477371   -2.034710    2.105441
     31          1           0        2.222402   -2.685180    2.593780
     32          1           0        0.561197   -2.623015    1.936668
     33          1           0        1.868257   -1.688534    1.138852
     34          6           0        0.533341   -1.153132    4.242396
     35          1           0        1.280846   -1.456529    4.995248
     36          1           0        0.015406   -0.248999    4.586827
     37          1           0       -0.192090   -1.969594    4.115166
     38          6           0       -4.608377    1.096590    2.910799
     39          8           0       -4.856498    1.673659    1.838130
     40          7           0       -3.536680    1.345876    3.711880
     41          1           0       -5.250026    0.281636    3.302229
     42          6           0       -2.538618    2.363816    3.371448
     43          1           0       -2.623331    2.619399    2.307163
     44          1           0       -2.687472    3.269926    3.981605
     45          1           0       -1.533835    1.963071    3.574642
     46          6           0       -3.259916    0.536609    4.899060
     47          1           0       -4.076020   -0.181544    5.057816
     48          1           0       -2.312696   -0.012666    4.762311
     49          1           0       -3.165049    1.185815    5.784324
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490418   0.000000
     3  O    3.726497   1.243408   0.000000
     4  N    3.314965   1.360788   2.315716   0.000000
     5  H    3.955133   1.108490   2.057948   2.057877   0.000000
     6  C    3.839695   2.466622   3.635888   1.463124   2.563433
     7  H    4.255890   2.552168   3.795240   2.104739   2.159037
     8  H    3.361651   3.156489   4.239227   2.109319   3.293125
     9  H    4.791505   3.209270   4.310088   2.109246   3.361494
    10  C    3.455450   2.469759   2.864749   1.464814   3.418675
    11  H    3.161208   3.256684   3.746201   2.100937   4.088099
    12  H    3.317095   2.567637   2.459634   2.102065   3.651696
    13  H    4.553733   3.100178   3.465797   2.119335   3.993772
    14  C    3.545883   6.487608   6.158862   6.391566   7.168760
    15  O    3.931184   7.200091   7.011188   7.061345   7.760035
    16  N    3.296961   5.762918   5.256325   5.930459   6.425229
    17  H    3.913942   6.624609   6.284279   6.377016   7.425592
    18  C    3.525722   5.871942   5.382230   6.279266   6.317682
    19  H    3.210682   5.017380   4.491432   5.597702   5.395779
    20  H    4.619918   6.742667   6.126710   7.248229   7.177157
    21  H    3.465713   6.229836   5.938412   6.534936   6.565572
    22  C    3.680568   5.287103   4.556316   5.522956   6.101766
    23  H    4.689972   6.001299   5.114589   6.388957   6.787586
    24  H    3.190090   4.248894   3.468257   4.616757   5.058662
    25  H    3.966221   5.559656   4.898078   5.564535   6.484216
    26  C    3.645066   5.434521   6.153659   4.324658   5.872795
    27  O    4.121369   5.820677   6.690540   4.774627   6.037516
    28  N    3.279320   5.762153   6.245997   4.815063   6.322168
    29  H    3.994893   5.123707   5.841933   3.875859   5.663174
    30  C    3.633873   5.880847   6.129170   4.960647   6.648619
    31  H    4.653625   6.969915   7.185425   6.026767   7.748488
    32  H    3.149537   5.642538   5.698953   4.942221   6.452471
    33  H    3.891760   5.446537   5.720801   4.412095   6.281457
    34  C    3.538702   6.588756   7.025156   5.829659   7.032787
    35  H    4.635663   7.638449   8.082023   6.809994   8.091592
    36  H    3.468815   6.455864   7.013176   5.763440   6.731646
    37  H    3.252043   6.567130   6.821565   5.979655   7.069185
    38  C    3.481214   4.976190   5.293155   5.436249   4.636546
    39  O    3.784157   4.285134   4.618643   4.965053   3.765573
    40  N    3.292626   5.293046   5.813318   5.416210   5.012395
    41  H    3.891839   5.712831   5.831320   6.231071   5.481326
    42  C    3.481405   4.923230   5.722649   4.814057   4.545188
    43  H    3.365540   4.008799   4.884181   4.013196   3.514839
    44  H    4.579886   5.799535   6.663664   5.688410   5.285283
    45  H    3.198224   5.043145   5.872324   4.651542   4.860450
    46  C    3.709686   6.406170   6.841177   6.380332   6.283831
    47  H    4.088966   6.856827   7.116249   6.980306   6.771963
    48  H    3.185277   6.238981   6.671716   6.025889   6.284837
    49  H    4.678188   7.236604   7.774904   7.140332   7.023712
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098854   0.000000
     8  H    1.102059   1.796582   0.000000
     9  H    1.102293   1.795652   1.791981   0.000000
    10  C    2.489084   3.417417   2.779452   2.742707   0.000000
    11  H    2.629088   3.666671   2.474013   2.883747   1.101235
    12  H    3.394488   4.192245   3.653869   3.783691   1.097847
    13  H    2.907170   3.839616   3.372940   2.737987   1.102547
    14  C    7.173351   7.743056   6.655342   7.966930   5.889746
    15  O    7.651112   8.157872   6.999735   8.482469   6.684353
    16  N    6.882043   7.347758   6.543386   7.737007   5.577405
    17  H    7.198816   7.898180   6.697764   7.872741   5.635468
    18  C    7.154646   7.411730   6.848783   8.124162   6.255918
    19  H    6.519577   6.679695   6.346250   7.513759   5.752160
    20  H    8.185440   8.414195   7.924626   9.151651   7.203949
    21  H    7.212254   7.425451   6.770448   8.214686   6.602547
    22  C    6.696346   7.225318   6.557813   7.451505   5.009022
    23  H    7.630146   8.105670   7.565961   8.382587   5.906465
    24  H    5.855251   6.319546   5.842064   6.630388   4.260798
    25  H    6.725540   7.397611   6.553457   7.359736   4.777446
    26  C    3.901987   4.703491   2.911381   4.201223   4.002190
    27  O    4.019551   4.598462   2.937154   4.343488   4.791773
    28  N    4.753134   5.558992   3.829104   5.194646   4.295234
    29  H    3.509772   4.464183   2.716376   3.578182   3.348983
    30  C    5.249848   6.181352   4.536862   5.599600   4.051537
    31  H    6.269967   7.218050   5.527939   6.538791   5.045891
    32  H    5.475460   6.339732   4.851999   5.972458   4.062184
    33  H    4.746111   5.767024   4.184597   4.934513   3.320507
    34  C    5.739161   6.375732   4.749855   6.327435   5.498192
    35  H    6.647244   7.312622   5.628019   7.138263   6.389617
    36  H    5.489952   5.967396   4.453510   6.154164   5.707455
    37  H    6.130331   6.745846   5.237067   6.814790   5.605269
    38  C    5.537052   5.203839   5.207801   6.629820   6.308944
    39  O    5.114994   4.619583   5.028862   6.193227   6.025255
    40  N    5.252394   5.019018   4.683584   6.294503   6.202888
    41  H    6.480060   6.222912   6.128697   7.579118   6.965604
    42  C    4.293854   3.992431   3.672115   5.251685   5.718726
    43  H    3.512309   3.058503   3.124763   4.508393   5.100134
    44  H    4.981641   4.540780   4.379759   5.849011   6.665062
    45  H    4.057853   4.014431   3.211801   4.930506   5.338352
    46  C    6.237713   6.177687   5.496807   7.230674   6.921386
    47  H    7.019175   6.959122   6.349165   8.049642   7.471523
    48  H    5.912679   6.043862   5.071487   6.847448   6.363418
    49  H    6.807139   6.682532   6.009847   7.745995   7.731972
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795805   0.000000
    13  H    1.791334   1.798139   0.000000
    14  C    5.489600   5.274293   6.827626   0.000000
    15  O    6.165991   6.204604   7.663612   1.242907   0.000000
    16  N    5.426967   4.824631   6.536815   1.360889   2.316015
    17  H    5.184724   5.005098   6.463082   1.108167   2.057556
    18  C    6.198680   5.565797   7.280314   2.469451   2.864762
    19  H    5.851877   5.073387   6.771145   3.267720   3.772829
    20  H    7.203868   6.435140   8.193249   3.083711   3.426804
    21  H    6.406848   6.059519   7.672607   2.574180   2.476981
    22  C    5.076313   4.070837   5.838667   2.466040   3.636064
    23  H    6.076764   4.901970   6.670388   3.174607   4.277776
    24  H    4.500844   3.312379   5.110463   3.195344   4.279401
    25  H    4.745651   3.846470   5.499296   2.549829   3.791805
    26  C    2.962567   4.604266   4.599599   5.643986   5.739814
    27  O    3.862986   5.486357   5.392074   6.413007   6.337690
    28  N    3.258786   4.589628   5.018563   4.465220   4.525124
    29  H    2.303365   4.071558   3.744560   6.070995   6.364092
    30  C    3.078754   4.113458   4.666685   4.030406   4.392225
    31  H    4.071244   5.087461   5.550939   4.426352   4.671257
    32  H    3.276862   3.847069   4.808470   2.990170   3.515909
    33  H    2.357131   3.489623   3.757007   4.746223   5.285407
    34  C    4.543045   5.673250   6.332229   4.143613   3.804267
    35  H    5.375408   6.591410   7.139928   4.785234   4.315884
    36  H    4.816624   5.975992   6.587483   4.691216   4.250014
    37  H    4.758037   5.567528   6.513631   3.104435   2.706936
    38  C    6.259979   6.262323   7.345047   5.729036   5.609032
    39  O    6.176138   5.998892   6.987488   6.396449   6.476924
    40  N    5.935448   6.320678   7.232589   5.665696   5.381044
    41  H    6.903101   6.774221   8.033500   5.414439   5.204719
    42  C    5.410386   6.085042   6.645659   6.428567   6.240772
    43  H    4.973812   5.497161   5.979272   6.653859   6.663979
    44  H    6.347815   7.105117   7.532932   7.426164   7.138428
    45  H    4.840522   5.776083   6.246134   6.055679   5.844564
    46  C    6.471994   6.984097   7.975097   5.228460   4.646792
    47  H    7.086183   7.383669   8.556933   4.980257   4.323398
    48  H    5.787312   6.435698   7.404576   4.535541   3.944624
    49  H    7.225052   7.895307   8.748906   6.183590   5.490301
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056689   0.000000
    18  C    1.464971   3.417478   0.000000
    19  H    2.099218   4.090202   1.101684   0.000000
    20  H    2.121574   3.988012   1.102836   1.791112   0.000000
    21  H    2.102366   3.653084   1.097544   1.797685   1.797081
    22  C    1.463189   2.560273   2.490969   2.616117   2.927669
    23  H    2.115419   3.302593   2.799663   2.945251   2.816099
    24  H    2.106752   3.350084   2.730482   2.396563   3.325837
    25  H    2.104646   2.154260   3.417908   3.633782   3.886130
    26  C    6.138901   5.470643   6.800655   6.760702   7.875908
    27  O    6.878060   6.398814   7.333052   7.246536   8.421261
    28  N    5.144796   4.246976   5.933051   6.079199   6.960632
    29  H    6.458182   5.758671   7.226335   7.102294   8.291570
    30  C    4.740909   3.477631   5.825017   6.038960   6.768625
    31  H    5.342406   3.739421   6.504050   6.853092   7.374179
    32  H    3.673956   2.423434   4.833612   5.110643   5.734793
    33  H    5.241864   4.128886   6.346407   6.409858   7.297180
    34  C    5.006398   4.173111   5.610228   5.930412   6.586136
    35  H    5.813142   4.711284   6.475070   6.897262   7.387800
    36  H    5.386010   4.924154   5.726662   5.938942   6.731018
    37  H    4.053983   3.235226   4.688201   5.139417   5.609891
    38  C    5.211327   6.573143   4.319773   3.765477   5.088762
    39  O    5.694300   7.158596   4.840526   4.045561   5.576961
    40  N    5.458362   6.435641   4.816704   4.475232   5.705609
    41  H    4.866134   6.371855   3.760923   3.344409   4.374387
    42  C    6.295509   7.020607   5.893713   5.475103   6.870982
    43  H    6.346474   7.185475   5.972029   5.378948   6.952368
    44  H    7.331528   8.041234   6.854702   6.448169   7.789087
    45  H    6.123505   6.529283   5.959161   5.675113   6.996777
    46  C    5.316709   6.047612   4.735268   4.730846   5.570628
    47  H    4.993810   5.927050   4.203237   4.309225   4.888098
    48  H    4.834291   5.242721   4.550793   4.673626   5.472272
    49  H    6.371421   6.972588   5.796726   5.817320   6.589494
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391164   0.000000
    23  H    3.831761   1.102409   0.000000
    24  H    3.609546   1.102524   1.789807   0.000000
    25  H    4.178606   1.098918   1.797618   1.795221   0.000000
    26  C    6.534242   6.460752   7.562902   6.199319   6.159369
    27  O    6.927237   7.334890   8.431843   7.015585   7.160571
    28  N    5.661491   5.588725   6.677433   5.531571   5.237558
    29  H    7.113180   6.533458   7.618583   6.195609   6.133011
    30  C    5.781746   4.923346   5.968345   5.000785   4.328338
    31  H    6.423714   5.576113   6.556487   5.816026   4.872828
    32  H    4.879401   3.874755   4.908420   4.060087   3.305010
    33  H    6.433868   5.139056   6.167931   5.060083   4.477570
    34  C    5.101201   5.807941   6.845270   5.898991   5.608499
    35  H    5.925471   6.643268   7.648857   6.839312   6.351027
    36  H    5.094267   6.265168   7.297730   6.229295   6.228121
    37  H    4.190126   4.979551   5.965696   5.205516   4.836486
    38  C    3.828146   5.948804   6.588042   5.416313   6.698805
    39  O    4.598389   6.158132   6.747700   5.437658   6.928020
    40  N    4.151121   6.314916   7.102730   5.872132   6.898128
    41  H    3.179153   5.748517   6.267631   5.366034   6.587311
    42  C    5.336832   6.973290   7.862527   6.418020   7.409333
    43  H    5.600292   6.809022   7.675798   6.106934   7.256820
    44  H    6.225503   8.055943   8.928539   7.504956   8.503416
    45  H    5.390526   6.813768   7.786405   6.344132   7.100020
    46  C    3.833093   6.427465   7.216952   6.228365   6.945547
    47  H    3.212005   6.210898   6.875356   6.113779   6.835262
    48  H    3.687785   5.945858   6.822700   5.831108   6.316710
    49  H    4.850123   7.507675   8.304519   7.318192   7.989559
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242640   0.000000
    28  N    1.360957   2.314975   0.000000
    29  H    1.107877   2.057600   2.056963   0.000000
    30  C    2.466205   3.634975   1.463275   2.562364   0.000000
    31  H    3.134207   4.224815   2.116624   3.258069   1.103022
    32  H    3.233488   4.326273   2.108284   3.395101   1.101800
    33  H    2.555138   3.797526   2.103720   2.163775   1.098601
    34  C    2.462521   2.851170   1.465117   3.413405   2.496988
    35  H    3.022508   3.320107   2.123653   3.940838   2.953625
    36  H    2.585986   2.502545   2.100479   3.659340   3.388713
    37  H    3.293405   3.809493   2.098280   4.115650   2.613491
    38  C    6.216801   6.023147   6.112583   6.807816   6.891297
    39  O    6.590692   6.426060   6.644830   7.013496   7.344478
    40  N    5.303034   4.948559   5.266592   6.030772   6.256974
    41  H    6.845262   6.737536   6.538913   7.484278   7.214958
    42  C    4.617110   4.050922   4.949528   5.277380   6.089168
    43  H    4.755019   4.315914   5.205945   5.203998   6.206221
    44  H    5.318059   4.542472   5.762778   6.008871   7.000362
    45  H    3.607223   2.995128   3.976804   4.360729   5.216145
    46  C    5.337928   4.995621   5.046297   6.237463   6.071069
    47  H    6.169752   5.958444   5.700192   7.045091   6.556744
    48  H    4.447562   4.226617   4.023801   5.390024   5.050963
    49  H    5.749175   5.196032   5.578812   6.715025   6.742257
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787530   0.000000
    33  H    1.798760   1.793927   0.000000
    34  C    2.813900   2.734541   3.420620   0.000000
    35  H    2.857124   3.351641   3.907770   1.103448   0.000000
    36  H    3.844222   3.599608   4.170593   1.097427   1.796183
    37  H    2.942184   2.395883   3.630767   1.099567   1.790899
    38  C    7.814207   6.442739   7.269354   5.768160   6.748799
    39  O    8.347533   6.915385   7.550872   6.543823   7.578421
    40  N    7.118047   5.974619   6.711294   4.805368   5.719184
    41  H    8.071002   6.638679   7.696214   6.032396   6.967052
    42  C    6.983154   6.044496   6.389567   4.750201   5.640928
    43  H    7.190399   6.145030   6.332267   5.285991   6.251527
    44  H    7.841951   7.032949   7.309051   5.477690   6.254150
    45  H    6.056207   5.301350   5.553515   3.798662   4.651259
    46  C    6.763878   5.775803   6.737105   4.204192   4.959876
    47  H    7.211780   6.099682   7.277618   4.780701   5.506860
    48  H    5.693151   4.801816   5.780861   3.109807   3.879760
    49  H    7.361304   6.572409   7.428086   4.639645   5.231692
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796097   0.000000
    38  C    5.098926   5.509589   0.000000
    39  O    5.915015   6.341521   1.243058   0.000000
    40  N    3.990799   4.726655   1.361032   2.315232   0.000000
    41  H    5.445781   5.595678   1.108639   2.058198   2.058148
    42  C    3.850583   4.983749   2.470214   2.863555   1.465681
    43  H    4.515253   5.498969   2.573661   2.470112   2.104589
    44  H    4.478245   5.804940   3.091907   3.441980   2.120347
    45  H    2.884081   4.190262   3.262557   3.760229   2.100274
    46  C    3.382662   4.038205   2.466801   3.634729   1.463185
    47  H    4.118998   4.378427   2.554742   3.797012   2.106049
    48  H    2.346637   2.957250   3.150983   4.226755   2.108834
    49  H    3.688900   4.645555   3.216877   4.321046   2.111576
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419356   0.000000
    43  H    3.654424   1.097816   0.000000
    44  H    3.994760   1.102490   1.797513   0.000000
    45  H    4.087971   1.100669   1.795626   1.790074   0.000000
    46  C    2.564258   2.488484   3.385437   2.939462   2.601582
    47  H    2.162154   3.418522   4.185890   3.872846   3.641686
    48  H    3.293381   2.762826   3.612757   3.394903   2.433253
    49  H    3.365332   2.757185   3.799903   2.796675   2.854414
                   46         47         48         49
    46  C    0.000000
    47  H    1.098623   0.000000
    48  H    1.103463   1.795871   0.000000
    49  H    1.101889   1.796483   1.790914   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143589      0.1944859      0.1847817
 Leave Link  202 at Mon Nov 14 04:04:55 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1745374597 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843012887 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9902361710 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4034
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.13D-07
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     221
 GePol: Fraction of low-weight points (<1% of avg)   =       5.48%
 GePol: Cavity surface area                          =    467.815 Ang**2
 GePol: Cavity volume                                =    458.299 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040078874 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9862282836 Hartrees.
 Leave Link  301 at Mon Nov 14 04:04:56 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37497.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:04:57 2016, MaxMem=  2952790016 cpu:        15.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:04:57 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000451   -0.000015    0.000092
         Rot=    1.000000    0.000011    0.000013    0.000023 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:04:58 2016, MaxMem=  2952790016 cpu:         6.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48819468.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.77D-15 for   2577.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.18D-15 for   1880    982.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.77D-15 for   2849.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.53D-10 for   1906   1898.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.88D-15 for    507.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.13D-14 for   1852   1010.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for    686.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.22D-15 for   2414    427.
 E= -1013.45141057593    
 DIIS: error= 3.32D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141057593     IErMin= 1 ErrMin= 3.32D-05
 ErrMax= 3.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-06 BMatP= 1.91D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=7.77D-06 MaxDP=2.33D-04              OVMax= 3.59D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.77D-06    CP:  1.00D+00
 E= -1013.45141401394     Delta-E=       -0.000003438009 Rises=F Damp=F
 DIIS: error= 3.78D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141401394     IErMin= 2 ErrMin= 3.78D-06
 ErrMax= 3.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-08 BMatP= 1.91D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-01 0.983D+00
 Coeff:      0.166D-01 0.983D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=5.41D-05 DE=-3.44D-06 OVMax= 8.99D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.21D-06    CP:  1.00D+00  9.75D-01
 E= -1013.45141397109     Delta-E=        0.000000042854 Rises=F Damp=F
 DIIS: error= 9.74D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141401394     IErMin= 2 ErrMin= 3.78D-06
 ErrMax= 9.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.03D-08 BMatP= 2.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-02 0.654D+00 0.344D+00
 Coeff:      0.235D-02 0.654D+00 0.344D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.02D-07 MaxDP=5.65D-05 DE= 4.29D-08 OVMax= 9.92D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.38D-07    CP:  1.00D+00  9.80D-01  4.08D-01
 E= -1013.45141402784     Delta-E=       -0.000000056757 Rises=F Damp=F
 DIIS: error= 4.09D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141402784     IErMin= 2 ErrMin= 3.78D-06
 ErrMax= 4.09D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-08 BMatP= 2.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.471D-04 0.259D+00 0.262D+00 0.479D+00
 Coeff:      0.471D-04 0.259D+00 0.262D+00 0.479D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.04D-07 MaxDP=1.62D-05 DE=-5.68D-08 OVMax= 3.45D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.21D-07    CP:  1.00D+00  9.84D-01  4.70D-01  5.08D-01
 E= -1013.45141403678     Delta-E=       -0.000000008937 Rises=F Damp=F
 DIIS: error= 1.45D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141403678     IErMin= 5 ErrMin= 1.45D-06
 ErrMax= 1.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.83D-10 BMatP= 1.09D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-04 0.147D+00 0.161D+00 0.318D+00 0.374D+00
 Coeff:     -0.130D-04 0.147D+00 0.161D+00 0.318D+00 0.374D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.84D-08 MaxDP=4.21D-06 DE=-8.94D-09 OVMax= 4.94D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.23D-08    CP:  1.00D+00  9.85D-01  4.65D-01  5.27D-01  6.84D-01
 E= -1013.45141403716     Delta-E=       -0.000000000384 Rises=F Damp=F
 DIIS: error= 1.48D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141403716     IErMin= 6 ErrMin= 1.48D-07
 ErrMax= 1.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.13D-12 BMatP= 5.83D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.148D-04 0.393D-01 0.462D-01 0.915D-01 0.156D+00 0.667D+00
 Coeff:     -0.148D-04 0.393D-01 0.462D-01 0.915D-01 0.156D+00 0.667D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.13D-08 MaxDP=4.38D-07 DE=-3.84D-10 OVMax= 6.32D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.28D-09    CP:  1.00D+00  9.84D-01  4.67D-01  5.29D-01  6.79D-01
                    CP:  8.70D-01
 E= -1013.45141403723     Delta-E=       -0.000000000067 Rises=F Damp=F
 DIIS: error= 2.52D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141403723     IErMin= 7 ErrMin= 2.52D-08
 ErrMax= 2.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.30D-13 BMatP= 8.13D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-04 0.105D-01 0.131D-01 0.257D-01 0.544D-01 0.329D+00
 Coeff-Com:  0.567D+00
 Coeff:     -0.108D-04 0.105D-01 0.131D-01 0.257D-01 0.544D-01 0.329D+00
 Coeff:      0.567D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.17D-09 MaxDP=1.29D-07 DE=-6.73D-11 OVMax= 1.40D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141404     A.U. after    7 cycles
            NFock=  7  Conv=0.32D-08     -V/T= 2.0213
 KE= 9.923510302179D+02 PE=-6.029520218154D+03 EE= 2.174731545616D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:06:30 2016, MaxMem=  2952790016 cpu:      1051.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11982 LenP2D=   37497.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:06:38 2016, MaxMem=  2952790016 cpu:        96.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:06:39 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:07:16 2016, MaxMem=  2952790016 cpu:       442.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.25397099D+00-2.54359937D+00 3.32019679D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000143685    0.000046361    0.000013531
      2        6          -0.000017563    0.000020522    0.000026720
      3        8           0.000027025    0.000035329    0.000003700
      4        7          -0.000042137   -0.000000606   -0.000001820
      5        1           0.000020972    0.000029779   -0.000004860
      6        6           0.000028755    0.000073630    0.000100700
      7        1          -0.000003090    0.000012701    0.000032093
      8        1          -0.000027915    0.000020338    0.000023121
      9        1           0.000005294    0.000011871    0.000036105
     10        6           0.000059006   -0.000013447    0.000028458
     11        1           0.000010357    0.000048378    0.000024829
     12        1           0.000021413    0.000032029   -0.000003748
     13        1           0.000015051    0.000042804    0.000021029
     14        6          -0.000034934   -0.000003797   -0.000015718
     15        8          -0.000005730   -0.000025718   -0.000038292
     16        7          -0.000012591    0.000004958   -0.000044295
     17        1           0.000009750    0.000005221   -0.000032235
     18        6          -0.000002422   -0.000002104   -0.000046012
     19        1           0.000004867   -0.000009140   -0.000030235
     20        1           0.000005569   -0.000009511   -0.000051024
     21        1          -0.000001343   -0.000012986   -0.000037869
     22        6           0.000022357    0.000014664   -0.000042770
     23        1           0.000021782    0.000014329   -0.000046514
     24        1           0.000028428   -0.000003710   -0.000018578
     25        1           0.000018718    0.000013162   -0.000028642
     26        6          -0.000006013   -0.000042797    0.000006634
     27        8          -0.000038999    0.000003718    0.000029148
     28        7          -0.000017102    0.000017314   -0.000009744
     29        1           0.000035932    0.000022270    0.000047908
     30        6           0.000017006   -0.000013690    0.000007896
     31        1           0.000015668    0.000005402   -0.000013601
     32        1          -0.000018219   -0.000014664   -0.000005848
     33        1          -0.000010977    0.000022544    0.000009789
     34        6          -0.000028672   -0.000033231    0.000001741
     35        1          -0.000014666   -0.000019806    0.000007173
     36        1          -0.000014659   -0.000027377    0.000016131
     37        1          -0.000005376   -0.000018539    0.000002258
     38        6          -0.000067439   -0.000038696   -0.000102481
     39        8           0.000023240   -0.000031096    0.000065025
     40        7           0.000026391    0.000016998   -0.000038511
     41        1          -0.000016764   -0.000007580   -0.000003805
     42        6          -0.000095799   -0.000065607    0.000042274
     43        1          -0.000011157    0.000006633    0.000024911
     44        1           0.000020648    0.000029114   -0.000013313
     45        1          -0.000008728   -0.000023793    0.000055167
     46        6          -0.000021849   -0.000023165    0.000065398
     47        1          -0.000009228   -0.000046454   -0.000033555
     48        1          -0.000023207   -0.000022608   -0.000020877
     49        1          -0.000025334   -0.000039946   -0.000007389
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000143685 RMS     0.000032836
 Leave Link  716 at Mon Nov 14 04:07:16 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000074423 RMS     0.000005683
 Search for a local minimum.
 Step number  88 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .56832D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   60   61   62   67   68
                                                     73   74   75   76   77
                                                     78   79   80   81   82
                                                     83   84   85   86   87
                                                     88
 DE= -7.18D-07 DEPred=-2.68D-07 R= 2.67D+00
 Trust test= 2.67D+00 RLast= 4.27D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1
 ITU=  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1
 ITU=  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00009   0.00054   0.00104   0.00112   0.00130
     Eigenvalues ---    0.00156   0.00197   0.00210   0.00237   0.00282
     Eigenvalues ---    0.00353   0.00435   0.00476   0.00576   0.00663
     Eigenvalues ---    0.00741   0.00774   0.00808   0.00835   0.00906
     Eigenvalues ---    0.01031   0.01137   0.01185   0.01205   0.01241
     Eigenvalues ---    0.01296   0.01315   0.01468   0.01504   0.01549
     Eigenvalues ---    0.01674   0.01727   0.01786   0.01809   0.01861
     Eigenvalues ---    0.01905   0.01975   0.02045   0.02125   0.02136
     Eigenvalues ---    0.02233   0.02315   0.02633   0.02669   0.02821
     Eigenvalues ---    0.02958   0.03100   0.03334   0.03786   0.04022
     Eigenvalues ---    0.04464   0.04826   0.05364   0.05564   0.05787
     Eigenvalues ---    0.06063   0.06217   0.06325   0.06474   0.06714
     Eigenvalues ---    0.07034   0.07238   0.07338   0.07521   0.07750
     Eigenvalues ---    0.07928   0.08099   0.08160   0.08274   0.08344
     Eigenvalues ---    0.08710   0.08765   0.09036   0.09141   0.09350
     Eigenvalues ---    0.09454   0.09685   0.09790   0.09956   0.10004
     Eigenvalues ---    0.10165   0.10426   0.10567   0.10785   0.11040
     Eigenvalues ---    0.11211   0.11306   0.11488   0.11572   0.13343
     Eigenvalues ---    0.13490   0.14253   0.14878   0.15154   0.15511
     Eigenvalues ---    0.15561   0.15988   0.20947   0.22619   0.23039
     Eigenvalues ---    0.23594   0.24587   0.24721   0.26050   0.26594
     Eigenvalues ---    0.27021   0.27417   0.28257   0.29257   0.29750
     Eigenvalues ---    0.29869   0.31341   0.32800   0.32825   0.32826
     Eigenvalues ---    0.32939   0.33303   0.33357   0.33374   0.33382
     Eigenvalues ---    0.33405   0.33424   0.33519   0.33630   0.33700
     Eigenvalues ---    0.33797   0.33821   0.33844   0.33924   0.33962
     Eigenvalues ---    0.34083   0.34210   0.34329   0.37296   0.38821
     Eigenvalues ---    0.39813   0.40826   0.85956   0.86260   0.86481
     Eigenvalues ---    0.90945
 Eigenvalue     1 is   9.20D-05 Eigenvector:
                         D399      D397      D381      D395      D407
   1                   -0.23658  -0.22833  -0.22502  -0.22077  -0.22018
                         D405      D401      D393      D403      D373
   1                   -0.21899  -0.21748  -0.21718  -0.21716  -0.21670
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    88   87   86   85   84
 RFO step:  Lambda=-9.06580504D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.86D-06 SmlDif=  1.00D-05
 RMS Error=  0.2902752833D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.09149   -0.77129   -1.32227    1.13354   -0.13146
 Iteration  1 RMS(Cart)=  0.00071414 RMS(Int)=  0.00000733
 Iteration  2 RMS(Cart)=  0.00000820 RMS(Int)=  0.00000111
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000111
 ITry= 1 IFail=0 DXMaxC= 6.35D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59593   0.00000   0.00107  -0.00055   0.00052   6.59646
    R2        6.26438  -0.00001  -0.00059  -0.00003  -0.00062   6.26375
    R3        7.25597  -0.00001  -0.00167   0.00049  -0.00118   7.25479
    R4        6.35260  -0.00001  -0.00221   0.00020  -0.00201   6.35059
    R5        6.52985   0.00000  -0.00045  -0.00036  -0.00080   6.52905
    R6        5.97382  -0.00001   0.00162   0.00037   0.00198   5.97580
    R7        6.70075   0.00000   0.00041   0.00023   0.00065   6.70139
    R8        6.23035   0.00000  -0.00058   0.00007  -0.00051   6.22984
    R9        6.66265   0.00000  -0.00116   0.00034  -0.00082   6.66183
   R10        6.06731   0.00001   0.00016   0.00042   0.00059   6.06790
   R11        6.95527   0.00000  -0.00058  -0.00012  -0.00069   6.95457
   R12        6.02840   0.00000  -0.00026  -0.00009  -0.00036   6.02804
   R13        6.88818  -0.00001  -0.00013   0.00005  -0.00008   6.88810
   R14        6.19702  -0.00001   0.00006  -0.00018  -0.00012   6.19690
   R15        6.86702   0.00001  -0.00009  -0.00034  -0.00042   6.86660
   R16        5.95176   0.00000   0.00074  -0.00009   0.00065   5.95242
   R17        6.68718   0.00000   0.00062   0.00017   0.00079   6.68797
   R18        6.57854  -0.00001   0.00005  -0.00049  -0.00044   6.57810
   R19        6.22216  -0.00001  -0.00058   0.00014  -0.00044   6.22173
   R20        6.57890   0.00001  -0.00145   0.00020  -0.00125   6.57765
   R21        6.04377   0.00001  -0.00003   0.00053   0.00050   6.04427
   R22        7.01029   0.00000  -0.00101  -0.00009  -0.00110   7.00919
   R23        6.01930  -0.00001  -0.00099   0.00011  -0.00087   6.01843
   R24        2.34970  -0.00001  -0.00002   0.00000  -0.00002   2.34968
   R25        2.57152   0.00000   0.00005  -0.00006   0.00000   2.57152
   R26        2.09474   0.00000   0.00000   0.00000   0.00001   2.09475
   R27        2.76490   0.00004   0.00021   0.00000   0.00021   2.76511
   R28        2.76810   0.00003   0.00013   0.00001   0.00013   2.76823
   R29        2.07653   0.00000   0.00000   0.00000   0.00000   2.07653
   R30        2.08259  -0.00002  -0.00004   0.00002  -0.00002   2.08257
   R31        2.08303  -0.00001  -0.00004   0.00000  -0.00003   2.08300
   R32        2.08103  -0.00001  -0.00004  -0.00001  -0.00006   2.08098
   R33        2.07463   0.00000   0.00001   0.00001   0.00002   2.07465
   R34        2.08351   0.00000  -0.00001   0.00000  -0.00001   2.08350
   R35        2.34875  -0.00001  -0.00001  -0.00001  -0.00002   2.34874
   R36        2.57171   0.00000   0.00004  -0.00003   0.00002   2.57172
   R37        2.09413   0.00000   0.00000   0.00000   0.00000   2.09413
   R38        2.76839  -0.00001   0.00013  -0.00003   0.00010   2.76849
   R39        2.76503   0.00000   0.00009  -0.00002   0.00007   2.76509
   R40        2.08188  -0.00001   0.00000  -0.00001  -0.00001   2.08187
   R41        2.08406   0.00000  -0.00001   0.00000  -0.00001   2.08405
   R42        2.07406   0.00000  -0.00003   0.00000  -0.00003   2.07403
   R43        2.08325   0.00000   0.00000   0.00000   0.00000   2.08325
   R44        2.08347  -0.00001  -0.00005   0.00001  -0.00004   2.08343
   R45        2.07665   0.00000   0.00000   0.00000   0.00000   2.07665
   R46        2.34825   0.00001  -0.00003   0.00001  -0.00001   2.34824
   R47        2.57184  -0.00001   0.00001   0.00002   0.00003   2.57186
   R48        2.09358   0.00000   0.00001  -0.00001   0.00001   2.09359
   R49        2.76519   0.00000   0.00006   0.00001   0.00007   2.76526
   R50        2.76867   0.00001  -0.00001   0.00000  -0.00001   2.76866
   R51        2.08441   0.00000  -0.00001   0.00001   0.00000   2.08441
   R52        2.08210   0.00001   0.00001   0.00001   0.00002   2.08212
   R53        2.07605   0.00000   0.00000  -0.00001   0.00000   2.07605
   R54        2.08522   0.00000  -0.00001   0.00001   0.00000   2.08521
   R55        2.07384  -0.00001   0.00002  -0.00001   0.00001   2.07385
   R56        2.07788   0.00000   0.00000  -0.00001  -0.00001   2.07787
   R57        2.34904  -0.00007  -0.00013   0.00002  -0.00011   2.34893
   R58        2.57198   0.00002   0.00020   0.00000   0.00020   2.57218
   R59        2.09503   0.00000  -0.00001   0.00001   0.00000   2.09502
   R60        2.76974  -0.00001   0.00005  -0.00004   0.00000   2.76974
   R61        2.76502   0.00003  -0.00003   0.00009   0.00006   2.76508
   R62        2.07457   0.00000   0.00002   0.00000   0.00002   2.07459
   R63        2.08340   0.00001   0.00001   0.00002   0.00003   2.08343
   R64        2.07996   0.00002   0.00006   0.00000   0.00006   2.08003
   R65        2.07610   0.00000  -0.00001  -0.00001  -0.00002   2.07608
   R66        2.08524   0.00000   0.00004   0.00001   0.00005   2.08529
   R67        2.08227  -0.00001   0.00000  -0.00001  -0.00001   2.08226
    A1        0.68001   0.00000   0.00011  -0.00002   0.00009   0.68010
    A2        0.95680   0.00000   0.00015  -0.00006   0.00009   0.95689
    A3        0.72699   0.00001  -0.00002   0.00004   0.00002   0.72700
    A4        1.01890   0.00000  -0.00006   0.00002  -0.00004   1.01886
    A5        2.34650   0.00000   0.00006   0.00004   0.00010   2.34660
    A6        2.02792   0.00000  -0.00003  -0.00001  -0.00004   2.02788
    A7        1.98324   0.00000  -0.00015  -0.00008  -0.00024   1.98301
    A8        1.69077   0.00000  -0.00034  -0.00008  -0.00043   1.69035
    A9        1.65746   0.00000  -0.00001   0.00003   0.00002   1.65748
   A10        1.37618   0.00000  -0.00006   0.00002  -0.00004   1.37614
   A11        1.73122   0.00000   0.00029   0.00008   0.00037   1.73158
   A12        2.03580   0.00000   0.00019   0.00006   0.00026   2.03605
   A13        1.94177   0.00000  -0.00005   0.00002  -0.00003   1.94174
   A14        2.02952   0.00000   0.00004   0.00010   0.00013   2.02965
   A15        2.42988   0.00000   0.00027   0.00007   0.00034   2.43022
   A16        1.58975  -0.00001   0.00004  -0.00002   0.00002   1.58977
   A17        1.78972  -0.00001   0.00024   0.00001   0.00026   1.78998
   A18        1.56812   0.00000   0.00031   0.00006   0.00036   1.56849
   A19        1.70655   0.00000   0.00060   0.00015   0.00075   1.70731
   A20        2.19304   0.00000   0.00032   0.00004   0.00036   2.19340
   A21        2.41337   0.00000   0.00041  -0.00004   0.00037   2.41373
   A22        0.64272   0.00000   0.00017  -0.00002   0.00016   0.64288
   A23        0.65913   0.00000  -0.00006  -0.00002  -0.00008   0.65905
   A24        2.39714   0.00000   0.00035   0.00011   0.00046   2.39760
   A25        2.22557   0.00000   0.00016   0.00004   0.00020   2.22577
   A26        2.32525   0.00000  -0.00003  -0.00005  -0.00009   2.32516
   A27        2.06180   0.00000  -0.00032  -0.00006  -0.00038   2.06142
   A28        1.81785   0.00000   0.00012   0.00004   0.00016   1.81801
   A29        1.57783   0.00000   0.00003   0.00003   0.00006   1.57789
   A30        1.33810   0.00000   0.00029   0.00006   0.00035   1.33845
   A31        1.63716   0.00000   0.00025   0.00005   0.00029   1.63746
   A32        1.58798   0.00000   0.00010   0.00002   0.00012   1.58810
   A33        1.74003   0.00000   0.00025   0.00010   0.00035   1.74038
   A34        2.03355   0.00000   0.00026   0.00005   0.00031   2.03386
   A35        1.85380   0.00000   0.00003   0.00006   0.00009   1.85389
   A36        1.92175   0.00000   0.00027   0.00009   0.00035   1.92210
   A37        1.57365   0.00000   0.00027   0.00012   0.00040   1.57405
   A38        1.59057   0.00000   0.00056   0.00022   0.00079   1.59135
   A39        2.27684   0.00000   0.00044   0.00011   0.00055   2.27739
   A40        2.37264   0.00000   0.00049  -0.00003   0.00045   2.37309
   A41        0.68868   0.00001   0.00021  -0.00002   0.00018   0.68886
   A42        0.74626   0.00000  -0.00006  -0.00010  -0.00016   0.74610
   A43        2.66059   0.00001   0.00059   0.00012   0.00072   2.66131
   A44        2.60416   0.00000   0.00037   0.00001   0.00038   2.60453
   A45        2.66153   0.00000  -0.00010  -0.00010  -0.00020   2.66133
   A46        2.35727   0.00000  -0.00032  -0.00010  -0.00041   2.35685
   A47        2.19640   0.00000   0.00031   0.00000   0.00030   2.19670
   A48        1.96301   0.00001   0.00019  -0.00001   0.00018   1.96319
   A49        1.09570   0.00000   0.00035   0.00009   0.00044   1.09614
   A50        1.45519   0.00000   0.00037   0.00008   0.00044   1.45563
   A51        1.55691   0.00000   0.00032   0.00004   0.00036   1.55728
   A52        1.79247   0.00000   0.00047   0.00011   0.00058   1.79306
   A53        1.78107   0.00000   0.00035   0.00010   0.00044   1.78152
   A54        1.71330   0.00000   0.00000   0.00014   0.00014   1.71344
   A55        1.65010  -0.00001   0.00016   0.00016   0.00032   1.65041
   A56        1.25015  -0.00001   0.00011   0.00019   0.00030   1.25045
   A57        1.21715   0.00000   0.00038   0.00028   0.00066   1.21782
   A58        1.94465   0.00000   0.00033   0.00017   0.00050   1.94515
   A59        1.99511  -0.00001   0.00033   0.00001   0.00034   1.99545
   A60        0.83948   0.00000   0.00020   0.00009   0.00030   0.83978
   A61        0.77574   0.00000  -0.00009   0.00004  -0.00004   0.77569
   A62        2.59929   0.00001   0.00049   0.00033   0.00081   2.60011
   A63        2.76896   0.00001   0.00050   0.00022   0.00072   2.76968
   A64        2.61535   0.00000  -0.00032  -0.00020  -0.00052   2.61482
   A65        2.39466   0.00000   0.00036   0.00013   0.00049   2.39514
   A66        2.20174   0.00000   0.00024   0.00007   0.00031   2.20205
   A67        0.85342   0.00000   0.00037   0.00022   0.00058   0.85400
   A68        1.22887   0.00000   0.00039   0.00022   0.00061   1.22948
   A69        1.40954   0.00000   0.00037   0.00024   0.00061   1.41015
   A70        1.68066   0.00001   0.00050   0.00030   0.00080   1.68145
   A71        1.51773   0.00000   0.00034   0.00019   0.00053   1.51826
   A72        1.72962   0.00000   0.00006  -0.00001   0.00005   1.72967
   A73        1.56148  -0.00001   0.00018   0.00002   0.00020   1.56169
   A74        1.13237  -0.00001   0.00010   0.00005   0.00015   1.13252
   A75        1.02219   0.00000   0.00034   0.00018   0.00051   1.02270
   A76        1.77888   0.00000   0.00035   0.00005   0.00041   1.77928
   A77        1.77169   0.00000   0.00032  -0.00007   0.00025   1.77194
   A78        1.99901   0.00000   0.00036   0.00012   0.00048   1.99949
   A79        1.94353   0.00000   0.00025   0.00006   0.00031   1.94384
   A80        2.22181   0.00000   0.00022  -0.00001   0.00021   2.22202
   A81        2.08114   0.00000  -0.00014  -0.00004  -0.00018   2.08096
   A82        1.55521   0.00000   0.00016   0.00003   0.00019   1.55540
   A83        1.39008   0.00000   0.00007   0.00003   0.00010   1.39018
   A84        1.19654   0.00000   0.00007   0.00003   0.00010   1.19665
   A85        1.38237  -0.00001   0.00003   0.00001   0.00004   1.38241
   A86        1.21575  -0.00001  -0.00006  -0.00002  -0.00007   1.21568
   A87        1.32206   0.00000   0.00014   0.00008   0.00022   1.32228
   A88        1.80888   0.00000  -0.00001   0.00000  -0.00001   1.80887
   A89        2.28419   0.00000   0.00007   0.00006   0.00014   2.28432
   A90        2.33188   0.00000   0.00034   0.00013   0.00047   2.33235
   A91        1.93826   0.00000   0.00031   0.00017   0.00048   1.93874
   A92        1.86122   0.00000   0.00053   0.00027   0.00080   1.86202
   A93        2.61808   0.00000   0.00056   0.00015   0.00071   2.61879
   A94        2.56108   0.00000   0.00047  -0.00002   0.00045   2.56153
   A95        1.91519   0.00001   0.00065   0.00023   0.00089   1.91608
   A96        1.99548   0.00001   0.00059   0.00019   0.00079   1.99627
   A97        2.37138   0.00000   0.00062   0.00014   0.00076   2.37213
   A98        2.32796   0.00000   0.00018   0.00008   0.00025   2.32821
   A99        1.66674   0.00000   0.00046   0.00015   0.00061   1.66735
   A100       1.57514   0.00000   0.00035   0.00014   0.00049   1.57563
   A101       0.89013   0.00000  -0.00012  -0.00004  -0.00016   0.88996
   A102       1.06046   0.00000   0.00001  -0.00001   0.00000   1.06046
   A103       0.93085   0.00000   0.00012   0.00003   0.00014   0.93099
   A104       1.09194   0.00000   0.00041   0.00015   0.00056   1.09250
   A105       1.48683   0.00000  -0.00004  -0.00002  -0.00006   1.48677
   A106       2.45879   0.00000  -0.00006   0.00004  -0.00002   2.45876
   A107       2.33434  -0.00001   0.00010   0.00005   0.00016   2.33450
   A108       1.90206  -0.00001   0.00001   0.00008   0.00009   1.90215
   A109       1.73016   0.00000   0.00017   0.00016   0.00033   1.73049
   A110       2.45446   0.00000   0.00028   0.00004   0.00032   2.45479
   A111       2.29574   0.00000   0.00021  -0.00009   0.00012   2.29585
   A112       0.71343   0.00000   0.00004  -0.00004   0.00000   0.71342
   A113       1.00514   0.00000   0.00004  -0.00005  -0.00001   1.00513
   A114       0.69554   0.00000   0.00003  -0.00001   0.00001   0.69555
   A115       0.98330   0.00000   0.00006  -0.00001   0.00005   0.98334
   A116       1.80483   0.00000  -0.00012   0.00004  -0.00008   1.80476
   A117       1.42455   0.00000  -0.00015   0.00004  -0.00011   1.42444
   A118       1.19183   0.00000   0.00007   0.00008   0.00015   1.19198
   A119       0.91886   0.00000   0.00000   0.00003   0.00003   0.91889
   A120       1.24946   0.00000  -0.00038  -0.00003  -0.00040   1.24905
   A121       1.90636   0.00000  -0.00060  -0.00028  -0.00088   1.90548
   A122       1.95191   0.00000  -0.00070  -0.00024  -0.00094   1.95098
   A123       2.30999   0.00000  -0.00059  -0.00022  -0.00080   2.30919
   A124       2.22874   0.00000  -0.00070  -0.00021  -0.00091   2.22783
   A125       1.60888   0.00000  -0.00078  -0.00022  -0.00099   1.60789
   A126       1.47556   0.00000  -0.00068  -0.00004  -0.00073   1.47483
   A127       0.65639   0.00000   0.00003  -0.00003  -0.00001   0.65638
   A128       0.66073   0.00000   0.00007  -0.00001   0.00006   0.66079
   A129       2.16870   0.00000  -0.00016   0.00001  -0.00014   2.16855
   A130       1.79678   0.00000  -0.00021   0.00001  -0.00020   1.79657
   A131       1.50402   0.00000  -0.00007   0.00002  -0.00005   1.50398
   A132       1.21205   0.00000  -0.00013  -0.00002  -0.00015   1.21190
   A133       1.64250   0.00000  -0.00038  -0.00004  -0.00042   1.64208
   A134       1.75343   0.00000  -0.00058  -0.00027  -0.00085   1.75258
   A135       1.95225   0.00000  -0.00069  -0.00024  -0.00093   1.95131
   A136       2.38184   0.00000  -0.00060  -0.00026  -0.00086   2.38098
   A137       2.46164   0.00000  -0.00076  -0.00029  -0.00106   2.46058
   A138       1.71998   0.00000  -0.00079  -0.00021  -0.00100   1.71898
   A139       1.68313   0.00000  -0.00068  -0.00001  -0.00069   1.68244
   A140       0.70464   0.00000   0.00015  -0.00001   0.00015   0.70479
   A141       0.83176   0.00000   0.00015  -0.00004   0.00011   0.83188
   A142       2.49610   0.00000  -0.00009   0.00002  -0.00007   2.49604
   A143       2.11724   0.00000  -0.00008   0.00002  -0.00005   2.11719
   A144       1.90046   0.00000   0.00007   0.00003   0.00010   1.90056
   A145       1.61645   0.00000  -0.00001  -0.00003  -0.00003   1.61641
   A146       1.83522   0.00000  -0.00019   0.00001  -0.00018   1.83504
   A147       1.32853   0.00000  -0.00067  -0.00024  -0.00092   1.32761
   A148       1.56772   0.00000  -0.00075  -0.00021  -0.00096   1.56675
   A149       1.99861   0.00000  -0.00066  -0.00023  -0.00089   1.99772
   A150       2.17717   0.00000  -0.00078  -0.00029  -0.00107   2.17610
   A151       1.42618   0.00000  -0.00083  -0.00016  -0.00098   1.42520
   A152       1.48758   0.00000  -0.00066   0.00004  -0.00063   1.48695
   A153       0.76734   0.00000  -0.00002  -0.00001  -0.00003   0.76731
   A154       0.76751   0.00000  -0.00007  -0.00004  -0.00011   0.76740
   A155       2.80750   0.00000  -0.00005   0.00000  -0.00005   2.80745
   A156       2.42614   0.00000  -0.00006   0.00000  -0.00006   2.42608
   A157       2.15941   0.00000  -0.00007  -0.00002  -0.00009   2.15932
   A158       1.86634   0.00000  -0.00013  -0.00005  -0.00019   1.86616
   A159       2.14481   0.00000  -0.00003   0.00000  -0.00003   2.14478
   A160       1.19287   0.00000  -0.00045  -0.00021  -0.00067   1.19220
   A161       1.51770   0.00000  -0.00045  -0.00018  -0.00063   1.51707
   A162       1.91521   0.00000  -0.00037  -0.00020  -0.00057   1.91463
   A163       2.17515   0.00000  -0.00041  -0.00026  -0.00066   2.17449
   A164       1.49982   0.00000  -0.00047  -0.00012  -0.00060   1.49922
   A165       1.63872   0.00000  -0.00032   0.00005  -0.00027   1.63845
   A166       2.15990   0.00000  -0.00021  -0.00003  -0.00024   2.15966
   A167       1.86212   0.00000  -0.00033  -0.00005  -0.00038   1.86173
   A168       1.47674   0.00000  -0.00027  -0.00006  -0.00033   1.47640
   A169       1.19762   0.00000  -0.00028  -0.00007  -0.00035   1.19727
   A170       1.86940   0.00000  -0.00050  -0.00010  -0.00059   1.86880
   A171       1.95996   0.00000  -0.00046  -0.00022  -0.00068   1.95928
   A172       2.26412   0.00000  -0.00056  -0.00021  -0.00077   2.26335
   A173       2.68131   0.00000  -0.00042  -0.00022  -0.00064   2.68067
   A174       2.10927   0.00000  -0.00072  -0.00019  -0.00091   2.10836
   A175       2.09130   0.00000  -0.00063  -0.00001  -0.00063   2.09066
   A176       2.27003   0.00000  -0.00019   0.00000  -0.00019   2.26984
   A177       2.05112  -0.00001  -0.00034  -0.00004  -0.00038   2.05074
   A178       1.64099  -0.00001  -0.00033  -0.00006  -0.00039   1.64061
   A179       1.39007  -0.00001  -0.00030  -0.00005  -0.00034   1.38973
   A180       2.13635  -0.00001  -0.00049  -0.00009  -0.00058   2.13577
   A181       1.89337   0.00000  -0.00038  -0.00022  -0.00059   1.89277
   A182       2.26647   0.00000  -0.00042  -0.00020  -0.00062   2.26585
   A183       2.58797   0.00000  -0.00018  -0.00016  -0.00034   2.58763
   A184       2.24925   0.00000  -0.00063  -0.00018  -0.00081   2.24844
   A185       2.30919   0.00000  -0.00056  -0.00001  -0.00057   2.30862
   A186       0.69131   0.00000   0.00001   0.00002   0.00003   0.69133
   A187       0.98204   0.00000   0.00003   0.00004   0.00007   0.98210
   A188       0.69917   0.00000  -0.00001  -0.00001  -0.00001   0.69916
   A189       2.11979   0.00001   0.00056   0.00022   0.00078   2.12057
   A190       1.73798   0.00000   0.00054   0.00018   0.00072   1.73870
   A191       1.40898   0.00000   0.00048   0.00020   0.00068   1.40966
   A192       1.10350   0.00000   0.00044   0.00023   0.00068   1.10417
   A193       1.62426   0.00000   0.00052   0.00012   0.00063   1.62489
   A194       1.41288   0.00000   0.00037  -0.00002   0.00035   1.41323
   A195       0.66707   0.00000  -0.00004   0.00001  -0.00003   0.66704
   A196       2.25838   0.00001   0.00053   0.00019   0.00071   2.25909
   A197       1.85918   0.00000   0.00049   0.00016   0.00066   1.85984
   A198       1.64197   0.00000   0.00048   0.00018   0.00066   1.64263
   A199       1.32188   0.00000   0.00037   0.00019   0.00056   1.32243
   A200       1.60983   0.00000   0.00044   0.00010   0.00054   1.61036
   A201       1.34344   0.00000   0.00033   0.00002   0.00035   1.34379
   A202       0.71068   0.00000  -0.00003   0.00001  -0.00002   0.71066
   A203       2.63853   0.00001   0.00048   0.00017   0.00065   2.63918
   A204       2.25383   0.00000   0.00048   0.00017   0.00066   2.25448
   A205       2.05387   0.00000   0.00050   0.00021   0.00071   2.05457
   A206       1.73391   0.00000   0.00040   0.00022   0.00061   1.73452
   A207       1.94643   0.00000   0.00038   0.00010   0.00048   1.94691
   A208       1.66429   0.00000   0.00031   0.00006   0.00037   1.66466
   A209       0.83480   0.00000  -0.00020  -0.00006  -0.00026   0.83454
   A210       2.66358   0.00000  -0.00005  -0.00007  -0.00012   2.66346
   A211       2.37473   0.00000   0.00014   0.00003   0.00018   2.37491
   A212       2.29299   0.00000   0.00036   0.00015   0.00052   2.29350
   A213       1.97678   0.00000   0.00024   0.00015   0.00040   1.97718
   A214       1.99785   0.00000   0.00002  -0.00004  -0.00002   1.99783
   A215       1.72047   0.00000   0.00001  -0.00001   0.00000   1.72047
   A216       1.92868   0.00001   0.00049   0.00015   0.00064   1.92932
   A217       1.55911   0.00000   0.00046   0.00014   0.00060   1.55972
   A218       1.48635   0.00001   0.00046   0.00015   0.00060   1.48696
   A219       1.19434   0.00000   0.00026   0.00011   0.00037   1.19471
   A220       1.23672   0.00000   0.00042   0.00009   0.00051   1.23723
   A221       0.95629   0.00000   0.00035   0.00005   0.00040   0.95669
   A222       0.72536   0.00000   0.00008   0.00001   0.00010   0.72546
   A223       1.01740   0.00000   0.00011  -0.00002   0.00009   1.01749
   A224       0.69754   0.00000   0.00006   0.00005   0.00011   0.69766
   A225       0.98093   0.00000   0.00012   0.00007   0.00019   0.98111
   A226       0.65839   0.00000   0.00005  -0.00007  -0.00002   0.65837
   A227       0.66237   0.00000   0.00007  -0.00001   0.00007   0.66244
   A228       0.70398   0.00000   0.00019  -0.00002   0.00017   0.70415
   A229       0.85027   0.00000   0.00014  -0.00011   0.00002   0.85029
   A230       0.75861   0.00000   0.00004  -0.00012  -0.00008   0.75853
   A231       0.78213  -0.00001  -0.00008  -0.00026  -0.00033   0.78180
   A232       1.58897   0.00000   0.00059  -0.00041   0.00018   1.58914
   A233       1.86330   0.00001   0.00001   0.00049   0.00050   1.86380
   A234       2.19025   0.00000   0.00003  -0.00007  -0.00005   2.19020
   A235       2.12911   0.00000   0.00003   0.00003   0.00006   2.12917
   A236       1.96345   0.00001  -0.00006   0.00005  -0.00001   1.96344
   A237       2.12386   0.00000  -0.00007   0.00003  -0.00004   2.12383
   A238       2.12626   0.00001  -0.00003  -0.00004  -0.00007   2.12620
   A239       2.03241  -0.00001   0.00011   0.00000   0.00011   2.03251
   A240       1.82987   0.00000  -0.00040   0.00062   0.00022   1.83009
   A241       2.54449  -0.00001   0.00027  -0.00061  -0.00034   2.54415
   A242       1.91389   0.00000  -0.00013   0.00001  -0.00012   1.91377
   A243       1.91689   0.00000  -0.00002  -0.00003  -0.00005   1.91683
   A244       1.91654   0.00000  -0.00013   0.00004  -0.00009   1.91645
   A245       1.90992   0.00000  -0.00010   0.00003  -0.00007   1.90985
   A246       1.90815   0.00001   0.00012  -0.00001   0.00011   1.90827
   A247       1.89833   0.00000   0.00026  -0.00004   0.00022   1.89855
   A248       1.28454   0.00001  -0.00122  -0.00044  -0.00166   1.28289
   A249       1.90411  -0.00001  -0.00017  -0.00003  -0.00020   1.90391
   A250       1.90919  -0.00001  -0.00004   0.00002  -0.00003   1.90917
   A251       1.92829   0.00000   0.00011  -0.00004   0.00007   1.92836
   A252       1.91104   0.00001  -0.00004   0.00004   0.00000   1.91104
   A253       1.89804   0.00000   0.00014   0.00003   0.00018   1.89822
   A254       1.91303   0.00000   0.00000  -0.00002  -0.00001   1.91302
   A255       1.72296   0.00000   0.00045   0.00012   0.00056   1.72353
   A256       1.76513  -0.00001  -0.00017  -0.00007  -0.00024   1.76488
   A257       2.19134   0.00001  -0.00001   0.00000  -0.00001   2.19133
   A258       2.12969   0.00000   0.00000   0.00001   0.00001   2.12970
   A259       1.96194  -0.00001   0.00001  -0.00001   0.00000   1.96194
   A260       2.12548   0.00000  -0.00013  -0.00001  -0.00014   2.12535
   A261       2.12281   0.00000  -0.00003  -0.00002  -0.00005   2.12276
   A262       2.03461   0.00001   0.00017   0.00003   0.00019   2.03480
   A263       1.35937   0.00000  -0.00107   0.00001  -0.00107   1.35830
   A264       1.90109   0.00000  -0.00009  -0.00001  -0.00010   1.90100
   A265       1.93093   0.00000   0.00009   0.00001   0.00010   1.93103
   A266       1.90974   0.00000  -0.00010   0.00000  -0.00010   1.90964
   A267       1.89676   0.00000   0.00006   0.00001   0.00008   1.89684
   A268       1.91382   0.00000  -0.00004  -0.00001  -0.00005   1.91377
   A269       1.91138   0.00000   0.00007   0.00000   0.00007   1.91145
   A270       2.67129   0.00000   0.00018   0.00014   0.00032   2.67160
   A271       1.69183   0.00000  -0.00011  -0.00016  -0.00027   1.69156
   A272       1.92494   0.00000  -0.00005   0.00000  -0.00005   1.92489
   A273       1.91276   0.00000   0.00005  -0.00002   0.00003   1.91279
   A274       1.91362   0.00001  -0.00003   0.00000  -0.00003   1.91359
   A275       1.89421   0.00000   0.00006   0.00001   0.00006   1.89428
   A276       1.91101   0.00000  -0.00004   0.00002  -0.00002   1.91099
   A277       1.90710   0.00000   0.00000   0.00000   0.00001   1.90711
   A278       1.81099  -0.00002   0.00034   0.00006   0.00039   1.81138
   A279       1.75071   0.00003  -0.00058   0.00011  -0.00048   1.75024
   A280       2.18988   0.00000   0.00003   0.00005   0.00008   2.18996
   A281       2.13063  -0.00001   0.00001  -0.00004  -0.00003   2.13060
   A282       1.96260   0.00001  -0.00004  -0.00001  -0.00005   1.96254
   A283       2.12285   0.00000  -0.00005   0.00001  -0.00005   2.12280
   A284       2.11516   0.00000   0.00008   0.00001   0.00008   2.11524
   A285       2.04220   0.00000  -0.00003  -0.00002  -0.00005   2.04214
   A286       2.69624   0.00001   0.00091   0.00032   0.00123   2.69747
   A287       1.66284  -0.00001  -0.00082  -0.00033  -0.00116   1.66168
   A288       1.92587   0.00001  -0.00003   0.00007   0.00004   1.92591
   A289       1.91554  -0.00001  -0.00006  -0.00004  -0.00010   1.91544
   A290       1.91256  -0.00001  -0.00004  -0.00001  -0.00006   1.91250
   A291       1.89082   0.00001   0.00015  -0.00002   0.00014   1.89095
   A292       1.91243   0.00000  -0.00004   0.00000  -0.00004   1.91239
   A293       1.90640   0.00000   0.00002   0.00000   0.00002   1.90642
   A294       1.35091   0.00000   0.00024   0.00038   0.00062   1.35154
   A295       1.15327   0.00001  -0.00016  -0.00015  -0.00031   1.15295
   A296       1.93301   0.00000   0.00001   0.00000   0.00001   1.93302
   A297       1.90707   0.00000   0.00002   0.00001   0.00003   1.90710
   A298       1.90181   0.00001  -0.00004   0.00005   0.00001   1.90182
   A299       1.90933   0.00000   0.00010  -0.00004   0.00006   1.90939
   A300       1.89833   0.00000   0.00002  -0.00005  -0.00003   1.89830
   A301       1.91420   0.00000  -0.00010   0.00003  -0.00007   1.91412
   A302       1.64664   0.00000  -0.00008  -0.00003  -0.00011   1.64653
   A303       1.80596   0.00001   0.00044  -0.00014   0.00031   1.80626
   A304       2.18958  -0.00001   0.00000  -0.00007  -0.00007   2.18952
   A305       2.12987   0.00000   0.00000   0.00003   0.00003   2.12990
   A306       1.96336   0.00001   0.00001   0.00004   0.00004   1.96341
   A307       2.12550   0.00001  -0.00015   0.00001  -0.00014   2.12536
   A308       2.12374  -0.00001  -0.00011   0.00005  -0.00007   2.12368
   A309       2.03061   0.00000   0.00024  -0.00009   0.00015   2.03076
   A310       1.30627   0.00000  -0.00102  -0.00022  -0.00124   1.30503
   A311       3.04373   0.00001   0.00110   0.00017   0.00126   3.04499
   A312       1.91168   0.00000  -0.00007   0.00005  -0.00001   1.91166
   A313       1.92871   0.00000   0.00036   0.00019   0.00053   1.92924
   A314       1.90274  -0.00001  -0.00001  -0.00013  -0.00013   1.90261
   A315       1.91216  -0.00001  -0.00035  -0.00006  -0.00040   1.91176
   A316       1.91153   0.00002   0.00001   0.00003   0.00004   1.91157
   A317       1.89687   0.00000   0.00005  -0.00009  -0.00003   1.89684
   A318       1.78729  -0.00002  -0.00045  -0.00045  -0.00090   1.78639
   A319       1.91588   0.00000  -0.00006  -0.00001  -0.00006   1.91582
   A320       1.91466  -0.00001  -0.00005  -0.00002  -0.00007   1.91460
   A321       1.92014   0.00000   0.00015   0.00000   0.00015   1.92029
   A322       1.90729   0.00000  -0.00005  -0.00004  -0.00009   1.90720
   A323       1.91027   0.00001  -0.00002   0.00006   0.00005   1.91032
   A324       1.89540   0.00001   0.00002   0.00001   0.00002   1.89543
   A325       2.94005   0.00000   0.00000  -0.00015  -0.00015   2.93989
   A326       3.36401   0.00000   0.00059   0.00018   0.00077   3.36478
   A327       3.08274   0.00001   0.00054   0.00017   0.00071   3.08345
   A328       3.19758   0.00001  -0.00121  -0.00046  -0.00167   3.19591
   A329       3.27075   0.00000  -0.00100   0.00001  -0.00100   3.26975
   A330       3.26025   0.00000   0.00033   0.00035   0.00068   3.26092
   A331       3.69756   0.00000  -0.00046  -0.00038  -0.00085   3.69671
   A332       3.21685   0.00001   0.00067   0.00026   0.00094   3.21779
   A333       2.97796   0.00000  -0.00038  -0.00026  -0.00064   2.97732
   A334       2.91052   0.00000  -0.00031  -0.00025  -0.00056   2.90996
   A335       3.23005  -0.00001  -0.00061  -0.00017  -0.00078   3.22927
   A336       3.07658   0.00000   0.00023   0.00008   0.00030   3.07688
   A337       3.10328   0.00001   0.00001  -0.00004  -0.00003   3.10325
   A338       3.04580   0.00000  -0.00014   0.00001  -0.00014   3.04566
    D1        2.75784   0.00000   0.00008  -0.00001   0.00008   2.75792
    D2       -1.36158   0.00000   0.00034  -0.00002   0.00032  -1.36126
    D3        2.78056   0.00000  -0.00003   0.00024   0.00021   2.78077
    D4       -1.33887   0.00000   0.00022   0.00023   0.00046  -1.33841
    D5        1.66198   0.00000  -0.00022   0.00005  -0.00016   1.66182
    D6       -2.45745   0.00000   0.00004   0.00004   0.00008  -2.45736
    D7        1.84295   0.00001   0.00008   0.00018   0.00027   1.84322
    D8       -2.27648   0.00001   0.00034   0.00017   0.00051  -2.27596
    D9        0.32070  -0.00001  -0.00082  -0.00018  -0.00100   0.31970
   D10        2.48446  -0.00001  -0.00057  -0.00019  -0.00075   2.48370
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   D451      -0.69824   0.00000   0.00116   0.00004   0.00120  -0.69704
   D452       1.38560   0.00000   0.00124   0.00006   0.00129   1.38689
   D453      -2.79018   0.00000   0.00131   0.00006   0.00138  -2.78881
   D454       2.05573   0.00000  -0.00066  -0.00018  -0.00085   2.05488
   D455      -2.14312   0.00000  -0.00059  -0.00019  -0.00078  -2.14390
   D456      -0.04992   0.00000  -0.00057  -0.00020  -0.00077  -0.05069
   D457      -1.11116   0.00000  -0.00052  -0.00006  -0.00058  -1.11174
   D458       0.97318   0.00000  -0.00045  -0.00006  -0.00051   0.97266
   D459       3.06638   0.00000  -0.00043  -0.00008  -0.00051   3.06587
   D460      -3.08179  -0.00002   0.00035  -0.00005   0.00030  -3.08149
   D461      -0.02557  -0.00002   0.00027  -0.00022   0.00005  -0.02552
   D462       0.07294  -0.00003   0.00051  -0.00013   0.00038   0.07332
   D463       3.12916  -0.00003   0.00043  -0.00031   0.00012   3.12928
   D464       1.93544  -0.00001  -0.00088  -0.00039  -0.00127   1.93417
   D465      -2.26528  -0.00001  -0.00075  -0.00039  -0.00114  -2.26642
   D466      -0.17188  -0.00002  -0.00078  -0.00043  -0.00121  -0.17309
   D467      -1.12419  -0.00001  -0.00081  -0.00022  -0.00103  -1.12522
   D468       0.95828  -0.00001  -0.00068  -0.00022  -0.00090   0.95738
   D469       3.05168  -0.00001  -0.00071  -0.00026  -0.00097   3.05071
   D470      -1.63621   0.00000  -0.00028  -0.00017  -0.00044  -1.63665
   D471       0.46824   0.00000  -0.00014  -0.00021  -0.00035   0.46789
   D472       2.55949   0.00000  -0.00028  -0.00014  -0.00042   2.55907
   D473       1.42380   0.00000  -0.00035  -0.00034  -0.00069   1.42312
   D474      -2.75494  -0.00001  -0.00021  -0.00038  -0.00059  -2.75553
   D475      -0.66369   0.00000  -0.00035  -0.00031  -0.00066  -0.66435
   D476       0.00466   0.00000   0.00002  -0.00029  -0.00027   0.00440
   D477      -3.04601   0.00000   0.00038   0.00012   0.00050  -3.04550
   D478       3.11765   0.00001   0.00014  -0.00021  -0.00007   3.11758
   D479       0.06698   0.00001   0.00049   0.00021   0.00070   0.06768
   D480      -0.30233   0.00000  -0.00109  -0.00001  -0.00110  -0.30343
   D481       1.80588   0.00000  -0.00134   0.00008  -0.00126   1.80462
   D482      -2.39365  -0.00001  -0.00105   0.00000  -0.00105  -2.39470
   D483       2.75293   0.00000  -0.00144  -0.00040  -0.00184   2.75109
   D484      -1.42204   0.00000  -0.00169  -0.00031  -0.00200  -1.42404
   D485       0.66161  -0.00001  -0.00141  -0.00039  -0.00179   0.65982
   D486      -0.09417   0.00001   0.00058   0.00013   0.00071  -0.09346
   D487       2.00185   0.00000   0.00045   0.00006   0.00052   2.00237
   D488      -2.19731   0.00000   0.00054   0.00006   0.00060  -2.19671
   D489       3.13366   0.00001   0.00094   0.00052   0.00146   3.13511
   D490      -1.05351  -0.00001   0.00081   0.00045   0.00126  -1.05224
   D491       1.03052   0.00000   0.00090   0.00045   0.00134   1.03186
         Item               Value     Threshold  Converged?
 Maximum Force            0.000074     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.006346     0.001800     NO 
 RMS     Displacement     0.000722     0.001200     YES
 Predicted change in Energy=-3.300818D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:07:17 2016, MaxMem=  2952790016 cpu:         8.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.826247   -0.586668    1.667160
      2          6           0       -2.068451    1.118532   -1.369051
      3          8           0       -2.619846    0.139350   -1.901221
      4          7           0       -0.776315    1.163435   -0.944656
      5          1           0       -2.615127    2.060860   -1.164304
      6          6           0       -0.235131    2.333049   -0.251710
      7          1           0       -0.990485    3.130770   -0.227936
      8          1           0        0.043251    2.061022    0.779317
      9          1           0        0.662902    2.696326   -0.777614
     10          6           0        0.131823    0.026357   -1.112652
     11          1           0        0.698133   -0.123013   -0.180110
     12          1           0       -0.451867   -0.876395   -1.335428
     13          1           0        0.843327    0.218629   -1.932646
     14          6           0       -2.005359   -3.997514    2.620976
     15          8           0       -2.126873   -3.844486    3.848417
     16          7           0       -2.946152   -3.687242    1.687873
     17          1           0       -1.075728   -4.395335    2.167587
     18          6           0       -4.244923   -3.121015    2.060530
     19          1           0       -4.506389   -2.325442    1.344712
     20          1           0       -5.029666   -3.895292    2.030271
     21          1           0       -4.182953   -2.701086    3.072653
     22          6           0       -2.698591   -3.872437    0.257684
     23          1           0       -3.407540   -4.605394   -0.161207
     24          1           0       -2.834623   -2.913124   -0.268365
     25          1           0       -1.670147   -4.227754    0.103819
     26          6           0        1.560274    0.377572    2.609454
     27          8           0        1.396214    1.396135    3.302093
     28          7           0        1.175761   -0.881838    2.953377
     29          1           0        2.039915    0.415716    1.611512
     30          6           0        1.477457   -2.034987    2.104549
     31          1           0        2.223373   -2.685211    2.591861
     32          1           0        0.561259   -2.623554    1.936741
     33          1           0        1.867067   -1.688429    1.137586
     34          6           0        0.534380   -1.154106    4.242198
     35          1           0        1.282049   -1.458576    4.994451
     36          1           0        0.017177   -0.249888    4.587523
     37          1           0       -0.191681   -1.969970    4.114773
     38          6           0       -4.608717    1.095759    2.909955
     39          8           0       -4.856417    1.673014    1.837356
     40          7           0       -3.537368    1.345177    3.711643
     41          1           0       -5.250467    0.280693    3.300980
     42          6           0       -2.539346    2.363271    3.371548
     43          1           0       -2.622933    2.617938    2.306947
     44          1           0       -2.688955    3.270144    3.980412
     45          1           0       -1.534656    1.962972    3.576258
     46          6           0       -3.260656    0.535270    4.898439
     47          1           0       -4.076118   -0.183877    5.055923
     48          1           0       -2.312793   -0.012988    4.761867
     49          1           0       -3.167072    1.183761    5.784355
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490695   0.000000
     3  O    3.726962   1.243398   0.000000
     4  N    3.314635   1.360787   2.315680   0.000000
     5  H    3.955872   1.108493   2.057977   2.057874   0.000000
     6  C    3.839071   2.466691   3.635941   1.463233   2.563453
     7  H    4.255494   2.552108   3.795167   2.104747   2.158924
     8  H    3.360588   3.156430   4.239126   2.109368   3.293119
     9  H    4.790703   3.209286   4.310110   2.109265   3.361371
    10  C    3.455025   2.469776   2.864663   1.464884   3.418713
    11  H    3.162259   3.257146   3.747004   2.100828   4.088475
    12  H    3.314875   2.567919   2.460080   2.102113   3.651909
    13  H    4.553431   3.099341   3.464223   2.119439   3.993127
    14  C    3.546225   6.488314   6.159667   6.392157   7.169662
    15  O    3.932128   7.201176   7.012296   7.062353   7.761371
    16  N    3.296692   5.762864   5.256508   5.930217   6.425353
    17  H    3.914032   6.625408   6.285130   6.377745   7.426554
    18  C    3.525287   5.871356   5.382037   6.278447   6.317248
    19  H    3.210992   5.016872   4.491138   5.597046   5.395524
    20  H    4.619603   6.742597   6.127168   7.247890   7.177120
    21  H    3.464135   6.228108   5.937238   6.532877   6.563994
    22  C    3.680201   5.287070   4.556479   5.522750   6.101887
    23  H    4.689730   6.001281   5.114753   6.388781   6.787714
    24  H    3.189902   4.248856   3.468421   4.616528   5.058794
    25  H    3.965590   5.559745   4.898337   5.564455   6.484426
    26  C    3.645025   5.435547   6.154376   4.325383   5.874409
    27  O    4.121744   5.822418   6.691989   4.775867   6.039985
    28  N    3.279258   5.762792   6.246325   4.815434   6.323417
    29  H    3.994381   5.124097   5.842007   3.876110   5.664015
    30  C    3.633648   5.880820   6.128771   4.960549   6.649106
    31  H    4.653856   6.969723   7.184894   6.026372   7.748874
    32  H    3.149883   5.643301   5.699388   4.942959   6.453653
    33  H    3.890360   5.445233   5.719048   4.410933   6.280599
    34  C    3.539119   6.589820   7.025935   5.830298   7.034605
    35  H    4.636010   7.639469   8.082601   6.810639   8.093496
    36  H    3.469892   6.457800   7.014926   5.764730   6.734396
    37  H    3.252098   6.567605   6.821833   5.979787   7.070314
    38  C    3.480982   4.976280   5.293178   5.435983   4.637393
    39  O    3.783789   4.285003   4.618585   4.964524   3.766135
    40  N    3.292396   5.293632   5.813786   5.416417   5.013741
    41  H    3.891910   5.712827   5.831212   6.230786   5.482041
    42  C    3.480745   4.923860   5.723146   4.814302   4.546554
    43  H    3.363560   4.008569   4.883859   4.012293   3.515677
    44  H    4.579344   5.799242   6.663351   5.687944   5.285445
    45  H    3.198490   5.045205   5.874181   4.653279   4.863119
    46  C    3.709102   6.406479   6.841254   6.380306   6.284981
    47  H    4.087526   6.856186   7.115268   6.979319   6.772338
    48  H    3.184814   6.239246   6.671898   6.025707   6.285837
    49  H    4.677983   7.237571   7.775495   7.141129   7.025512
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098855   0.000000
     8  H    1.102049   1.796532   0.000000
     9  H    1.102274   1.795710   1.792097   0.000000
    10  C    2.489318   3.417554   2.779793   2.742813   0.000000
    11  H    2.628374   3.666172   2.473738   2.882173   1.101205
    12  H    3.394401   4.192138   3.653177   3.783940   1.097855
    13  H    2.908503   3.840503   3.374800   2.739640   1.102541
    14  C    7.173706   7.743300   6.655401   7.967278   5.890591
    15  O    7.651906   8.158567   7.000274   8.483232   6.685607
    16  N    6.881535   7.347125   6.542518   7.736526   5.577427
    17  H    7.199358   7.898611   6.698056   7.873290   5.636445
    18  C    7.153440   7.410348   6.847149   8.123008   6.255473
    19  H    6.518723   6.678701   6.345073   7.512921   5.751749
    20  H    8.184573   8.413086   7.923196   9.150900   7.204045
    21  H    7.209660   7.422687   6.767411   8.212120   6.600986
    22  C    6.695982   7.224843   6.557112   7.451182   5.008958
    23  H    7.629834   8.105235   7.565292   8.382336   5.906391
    24  H    5.854910   6.319108   5.841397   6.630078   4.260654
    25  H    6.725311   7.397288   6.552917   7.359546   4.777485
    26  C    3.903029   4.705025   2.912863   4.201682   4.002237
    27  O    4.021021   4.600695   2.938874   4.344220   4.792176
    28  N    4.753809   5.560072   3.830084   5.194860   4.295023
    29  H    3.510498   4.465244   2.717765   3.578445   3.348654
    30  C    5.250206   6.181931   4.537673   5.599615   4.050957
    31  H    6.270014   7.218433   5.528560   6.538300   5.044859
    32  H    5.476447   6.340818   4.853165   5.973205   4.062665
    33  H    4.745700   5.766709   4.184859   4.933972   3.318905
    34  C    5.740001   6.377106   4.750769   6.327785   5.498178
    35  H    6.648343   7.314358   5.629347   7.138858   6.389425
    36  H    5.491211   5.969328   4.454595   6.154822   5.708016
    37  H    6.130582   6.746463   5.237305   6.814696   5.604994
    38  C    5.536719   5.203771   5.206933   6.629475   6.308542
    39  O    5.114306   4.619082   5.027598   6.192586   6.024663
    40  N    5.252507   5.019486   4.683141   6.294546   6.202909
    41  H    6.479766   6.222831   6.127953   7.578796   6.965191
    42  C    4.293986   3.993033   3.671624   5.251749   5.718773
    43  H    3.511336   3.058351   3.122874   4.507479   5.098885
    44  H    4.980989   4.540311   4.378805   5.848335   6.664701
    45  H    4.059441   4.016437   3.212831   4.931863   5.339804
    46  C    6.237775   6.178189   5.496443   7.230633   6.921064
    47  H    7.018480   6.958964   6.348080   8.048853   7.470092
    48  H    5.912404   6.043992   5.070815   6.846969   6.362992
    49  H    6.808173   6.684012   6.010505   7.746999   7.732464
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795785   0.000000
    13  H    1.791419   1.798132   0.000000
    14  C    5.492423   5.273314   6.828348   0.000000
    15  O    6.169202   6.203825   7.664964   1.242898   0.000000
    16  N    5.428987   4.823138   6.536370   1.360897   2.316008
    17  H    5.187581   5.004323   6.464004   1.108168   2.057554
    18  C    6.200184   5.564002   7.279352   2.469411   2.864626
    19  H    5.853445   5.071689   6.769995   3.268000   3.773345
    20  H    7.205800   6.434120   8.192747   3.083150   3.425557
    21  H    6.407177   6.056539   7.670804   2.574228   2.477224
    22  C    5.078146   4.069648   5.837769   2.466042   3.636070
    23  H    6.078540   4.901043   6.669263   3.174298   4.277402
    24  H    4.502540   3.311255   5.109307   3.195601   4.279747
    25  H    4.747448   3.845418   5.498642   2.549795   3.791768
    26  C    2.962355   4.602526   4.601081   5.644045   5.740719
    27  O    3.862754   5.485107   5.393949   6.412961   6.338354
    28  N    3.259247   4.587271   5.019438   4.465138   4.526122
    29  H    2.302286   4.069765   3.745893   6.071232   6.365155
    30  C    3.079393   4.110726   4.666889   4.030908   4.393922
    31  H    4.071245   5.084518   5.550493   4.427772   4.674130
    32  H    3.279100   3.845267   4.809337   2.990564   3.517276
    33  H    2.356535   3.486065   3.756492   4.746368   5.286658
    34  C    4.543873   5.670954   6.333131   4.142898   3.804665
    35  H    5.375944   6.588837   7.140740   4.783999   4.315868
    36  H    4.817688   5.974434   6.588978   4.690699   4.250219
    37  H    4.759101   5.564916   6.514022   3.103513   2.707346
    38  C    6.260716   6.260357   7.344721   5.727339   5.607698
    39  O    6.176480   5.997175   6.986790   6.395113   6.475923
    40  N    5.936396   6.318910   7.233091   5.664005   5.379666
    41  H    6.904115   6.772126   8.032995   5.412595   5.203232
    42  C    5.410837   6.083472   6.646536   6.427136   6.239694
    43  H    4.972700   5.494614   5.978778   6.651632   6.662217
    44  H    6.347899   7.103274   7.533459   7.425242   7.138019
    45  H    4.842208   5.775733   6.248644   6.054875   5.843916
    46  C    6.472790   6.981632   7.975378   5.225776   4.644381
    47  H    7.086128   7.379982   8.555877   4.976026   4.319454
    48  H    5.787998   6.433158   7.404812   4.533693   3.943264
    49  H    7.226501   7.893535   8.750250   6.180789   5.487544
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056698   0.000000
    18  C    1.465023   3.417476   0.000000
    19  H    2.099190   4.090357   1.101680   0.000000
    20  H    2.121686   3.987797   1.102834   1.791156   0.000000
    21  H    2.102331   3.653008   1.097530   1.797637   1.797112
    22  C    1.463224   2.560241   2.491190   2.615905   2.928566
    23  H    2.115414   3.302234   2.800125   2.945071   2.817465
    24  H    2.106790   3.350302   2.730552   2.396287   3.326649
    25  H    2.104654   2.154195   3.418049   3.633576   3.886916
    26  C    6.138396   5.470319   6.800128   6.760937   7.875286
    27  O    6.877687   6.398338   7.332705   7.247221   8.420729
    28  N    5.144120   4.246332   5.932530   6.079361   6.959911
    29  H    6.457628   5.758704   7.225599   7.102058   8.290906
    30  C    4.740452   3.477639   5.824691   6.038885   6.768227
    31  H    5.342776   3.740134   6.504698   6.853796   7.374704
    32  H    3.673595   2.423268   4.833444   5.110815   5.734502
    33  H    5.240721   4.128958   6.345121   6.408560   7.296031
    34  C    5.005543   4.171573   5.609826   5.931004   6.585236
    35  H    5.811893   4.709016   6.474490   6.897686   7.386589
    36  H    5.385601   4.922932   5.726653   5.940236   6.730463
    37  H    4.052898   3.233492   4.687600   5.139680   5.608754
    38  C    5.209099   6.571547   4.316834   3.763651   5.085433
    39  O    5.692434   7.157340   4.838021   4.043867   5.574339
    40  N    5.456228   6.434070   4.813905   4.473791   5.702322
    41  H    4.863794   6.370107   3.757852   3.342540   4.370618
    42  C    6.293565   7.019291   5.891108   5.473696   6.868066
    43  H    6.343739   7.183263   5.968849   5.376831   6.949178
    44  H    7.329878   8.040423   6.852291   6.446748   7.786234
    45  H    6.122356   6.528632   5.957340   5.674635   6.994600
    46  C    5.313780   6.045025   4.731906   4.729112   5.566477
    47  H    4.989404   5.922939   4.198530   4.306335   4.882461
    48  H    4.832259   5.240761   4.548646   4.672927   5.469488
    49  H    6.368410   6.970010   5.793077   5.815385   6.584769
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391082   0.000000
    23  H    3.832166   1.102408   0.000000
    24  H    3.609065   1.102503   1.789831   0.000000
    25  H    4.178382   1.098918   1.797606   1.795210   0.000000
    26  C    6.532790   6.459979   7.562122   6.198842   6.158153
    27  O    6.925819   7.334419   8.431421   7.015545   7.159585
    28  N    5.660363   5.587580   6.676238   5.530726   5.235870
    29  H    7.111503   6.532576   7.617667   6.194855   6.131844
    30  C    5.781103   4.922043   5.966895   4.999588   4.326495
    31  H    6.424362   5.575269   6.555431   5.815166   4.871272
    32  H    4.878919   3.873702   4.907183   4.059355   3.303367
    33  H    6.432161   5.137057   6.165795   5.057911   4.475347
    34  C    5.100413   5.806701   6.843982   5.898263   5.606552
    35  H    5.924811   6.641475   7.646929   6.838124   6.348393
    36  H    5.093554   6.264643   7.297229   6.229384   6.226883
    37  H    4.189367   4.978063   5.964161   5.204477   4.834377
    38  C    3.824105   5.946940   6.586198   5.414819   6.696968
    39  O    4.594808   6.156590   6.746251   5.436393   6.926509
    40  N    4.146967   6.313230   7.101064   5.870898   6.896410
    41  H    3.175331   5.746495   6.265537   5.364419   6.585333
    42  C    5.332775   6.971769   7.861069   6.416891   7.407777
    43  H    5.595711   6.806627   7.673585   6.104890   7.254314
    44  H    6.221868   8.054517   8.927119   7.503740   8.502024
    45  H    5.387071   6.813198   7.785869   6.344080   7.099385
    46  C    3.828594   6.424983   7.214431   6.226459   6.942946
    47  H    3.206418   6.206944   6.871335   6.110494   6.831176
    48  H    3.684672   5.944059   6.820946   5.829779   6.314637
    49  H    4.845346   7.505245   8.301918   7.316448   7.987100
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242633   0.000000
    28  N    1.360972   2.315030   0.000000
    29  H    1.107881   2.057580   2.056942   0.000000
    30  C    2.466217   3.635012   1.463312   2.562302   0.000000
    31  H    3.133791   4.224454   2.116681   3.257375   1.103021
    32  H    3.233779   4.326573   2.108255   3.395491   1.101812
    33  H    2.555167   3.797542   2.103709   2.163772   1.098598
    34  C    2.462590   2.851366   1.465114   3.413428   2.496976
    35  H    3.022757   3.320615   2.123654   3.941017   2.953298
    36  H    2.586041   2.502692   2.100502   3.659390   3.388827
    37  H    3.293370   3.809531   2.098278   4.115561   2.613665
    38  C    6.217922   6.025213   6.113343   6.808283   6.891427
    39  O    6.591528   6.427870   6.645295   7.013644   7.344292
    40  N    5.304436   4.950815   5.267652   6.031628   6.257534
    41  H    6.846444   6.739628   6.539780   7.484798   7.215177
    42  C    4.618514   4.053247   4.950517   5.278288   6.089718
    43  H    4.754995   4.317020   5.205418   5.203418   6.205149
    44  H    5.320005   4.545397   5.764528   6.010129   7.001590
    45  H    3.609265   2.997744   3.978351   4.362543   5.217511
    46  C    5.339072   4.997585   5.047104   6.238128   6.071388
    47  H    6.170037   5.959763   5.700007   7.044809   6.555868
    48  H    4.448153   4.227683   4.024369   5.390231   5.051318
    49  H    5.751325   5.199068   5.580442   6.716787   6.743364
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787626   0.000000
    33  H    1.798734   1.793947   0.000000
    34  C    2.814355   2.734069   3.420552   0.000000
    35  H    2.857126   3.350568   3.907748   1.103447   0.000000
    36  H    3.844576   3.599577   4.170558   1.097433   1.796223
    37  H    2.943351   2.395394   3.630614   1.099562   1.790876
    38  C    7.815010   6.442755   7.268341   5.769594   6.750620
    39  O    8.347864   6.915316   7.549452   6.544965   7.579899
    40  N    7.119275   5.974935   6.710921   4.806978   5.721312
    41  H    8.072033   6.638671   7.695259   6.033987   6.968979
    42  C    6.984166   6.044902   6.389314   4.751606   5.642994
    43  H    7.189662   6.144052   6.330269   5.286032   6.252162
    44  H    7.843806   7.033929   7.309339   5.480183   6.257630
    45  H    6.057839   5.302555   5.554419   3.800073   4.653180
    46  C    6.765085   5.775540   6.736646   4.205585   4.961936
    47  H    7.211925   6.098080   7.275884   4.781233   5.508048
    48  H    5.694427   4.801725   5.780463   3.111045   3.881586
    49  H    7.363278   6.572688   7.428627   4.641618   5.234555
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796050   0.000000
    38  C    5.101362   5.510036   0.000000
    39  O    5.917169   6.341745   1.242999   0.000000
    40  N    3.993268   4.727192   1.361140   2.315236   0.000000
    41  H    5.448374   5.596344   1.108637   2.058161   2.058271
    42  C    3.852662   4.984064   2.470213   2.863393   1.465684
    43  H    4.516152   5.498011   2.573711   2.470192   2.104587
    44  H    4.481334   5.806309   3.091814   3.441134   2.120740
    45  H    2.885756   4.190658   3.262801   3.760579   2.100204
    46  C    3.384868   4.038437   2.466878   3.634713   1.463216
    47  H    4.120536   4.377756   2.554664   3.796851   2.106025
    48  H    2.348463   2.957639   3.151216   4.226746   2.108830
    49  H    3.691504   4.646125   3.216871   4.321117   2.111707
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419399   0.000000
    43  H    3.654416   1.097825   0.000000
    44  H    3.994970   1.102505   1.797280   0.000000
    45  H    4.088165   1.100703   1.795684   1.790097   0.000000
    46  C    2.564378   2.488628   3.385266   2.940943   2.601071
    47  H    2.162116   3.418588   4.185544   3.874429   3.641071
    48  H    3.293990   2.762411   3.611730   3.395751   2.432197
    49  H    3.364999   2.758064   3.800700   2.799250   2.854408
                   46         47         48         49
    46  C    0.000000
    47  H    1.098614   0.000000
    48  H    1.103487   1.795825   0.000000
    49  H    1.101883   1.796500   1.790945   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143666      0.1945234      0.1847584
 Leave Link  202 at Mon Nov 14 04:07:17 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1855099961 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843232682 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0011867279 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4036
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.44D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     223
 GePol: Fraction of low-weight points (<1% of avg)   =       5.53%
 GePol: Cavity surface area                          =    467.868 Ang**2
 GePol: Cavity volume                                =    458.326 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040104678 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9971762601 Hartrees.
 Leave Link  301 at Mon Nov 14 04:07:17 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11983 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:07:18 2016, MaxMem=  2952790016 cpu:        14.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:07:18 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000476    0.000017    0.000104
         Rot=    1.000000    0.000014    0.000015    0.000023 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:07:19 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48867888.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   2988.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.19D-15 for   2282    109.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.66D-15 for   2322.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.19D-10 for   1681   1680.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.07D-14 for   1883.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.20D-14 for   2242    505.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.44D-15 for    205.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.48D-16 for   2416    427.
 E= -1013.45141007289    
 DIIS: error= 4.69D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141007289     IErMin= 1 ErrMin= 4.69D-05
 ErrMax= 4.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-06 BMatP= 2.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=8.89D-06 MaxDP=2.68D-04              OVMax= 3.86D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.89D-06    CP:  1.00D+00
 E= -1013.45141464051     Delta-E=       -0.000004567619 Rises=F Damp=F
 DIIS: error= 5.03D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141464051     IErMin= 2 ErrMin= 5.03D-06
 ErrMax= 5.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-08 BMatP= 2.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-01 0.985D+00
 Coeff:      0.148D-01 0.985D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.37D-06 MaxDP=6.08D-05 DE=-4.57D-06 OVMax= 1.25D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.36D-06    CP:  1.00D+00  9.82D-01
 E= -1013.45141456380     Delta-E=        0.000000076712 Rises=F Damp=F
 DIIS: error= 1.49D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141464051     IErMin= 2 ErrMin= 5.03D-06
 ErrMax= 1.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-07 BMatP= 2.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-02 0.689D+00 0.309D+00
 Coeff:      0.194D-02 0.689D+00 0.309D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=5.82D-05 DE= 7.67D-08 OVMax= 1.21D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.43D-07    CP:  1.00D+00  9.86D-01  3.64D-01
 E= -1013.45141465859     Delta-E=       -0.000000094795 Rises=F Damp=F
 DIIS: error= 3.82D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141465859     IErMin= 4 ErrMin= 3.82D-06
 ErrMax= 3.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.71D-09 BMatP= 2.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.251D-04 0.264D+00 0.214D+00 0.523D+00
 Coeff:      0.251D-04 0.264D+00 0.214D+00 0.523D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.69D-07 MaxDP=1.36D-05 DE=-9.48D-08 OVMax= 2.59D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.24D-07    CP:  1.00D+00  9.90D-01  4.09D-01  5.82D-01
 E= -1013.45141466501     Delta-E=       -0.000000006414 Rises=F Damp=F
 DIIS: error= 9.53D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141466501     IErMin= 5 ErrMin= 9.53D-07
 ErrMax= 9.53D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-10 BMatP= 7.71D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.301D-04 0.144D+00 0.127D+00 0.335D+00 0.394D+00
 Coeff:     -0.301D-04 0.144D+00 0.127D+00 0.335D+00 0.394D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.54D-08 MaxDP=4.06D-06 DE=-6.41D-09 OVMax= 3.35D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.30D-08    CP:  1.00D+00  9.90D-01  4.08D-01  5.91D-01  7.22D-01
 E= -1013.45141466545     Delta-E=       -0.000000000444 Rises=F Damp=F
 DIIS: error= 1.50D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141466545     IErMin= 6 ErrMin= 1.50D-07
 ErrMax= 1.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-11 BMatP= 4.60D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.218D-04 0.411D-01 0.395D-01 0.104D+00 0.184D+00 0.631D+00
 Coeff:     -0.218D-04 0.411D-01 0.395D-01 0.104D+00 0.184D+00 0.631D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.11D-08 MaxDP=6.13D-07 DE=-4.44D-10 OVMax= 6.44D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.85D-09    CP:  1.00D+00  9.90D-01  4.11D-01  5.92D-01  7.19D-01
                    CP:  8.73D-01
 E= -1013.45141466548     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 3.65D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141466548     IErMin= 7 ErrMin= 3.65D-08
 ErrMax= 3.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-12 BMatP= 1.17D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-04 0.964D-02 0.103D-01 0.265D-01 0.648D-01 0.334D+00
 Coeff-Com:  0.554D+00
 Coeff:     -0.128D-04 0.964D-02 0.103D-01 0.265D-01 0.648D-01 0.334D+00
 Coeff:      0.554D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.30D-09 MaxDP=1.67D-07 DE=-2.55D-11 OVMax= 1.85D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141467     A.U. after    7 cycles
            NFock=  7  Conv=0.33D-08     -V/T= 2.0213
 KE= 9.923505784017D+02 PE=-6.029539534468D+03 EE= 2.174740365141D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:08:53 2016, MaxMem=  2952790016 cpu:      1064.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11983 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:09:01 2016, MaxMem=  2952790016 cpu:       100.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:09:01 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:09:38 2016, MaxMem=  2952790016 cpu:       440.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.25435835D+00-2.54165824D+00 3.31908669D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000150169    0.000007310    0.000021182
      2        6           0.000008347    0.000033751    0.000010520
      3        8           0.000017081    0.000025760    0.000005929
      4        7          -0.000020146    0.000028284    0.000010447
      5        1           0.000010572    0.000020896    0.000010488
      6        6          -0.000010310    0.000023444    0.000062862
      7        1           0.000004852    0.000019671    0.000027504
      8        1          -0.000007444    0.000022024    0.000019131
      9        1           0.000014045    0.000019844    0.000047588
     10        6           0.000026476    0.000017730    0.000040431
     11        1           0.000012364    0.000034923    0.000017962
     12        1           0.000029060    0.000031719   -0.000016046
     13        1           0.000020519    0.000042139    0.000021689
     14        6          -0.000040785   -0.000007740   -0.000031056
     15        8          -0.000002668   -0.000018091   -0.000032892
     16        7          -0.000012697    0.000005921   -0.000037876
     17        1           0.000009137    0.000000398   -0.000029961
     18        6           0.000018658   -0.000005228   -0.000066541
     19        1           0.000005662   -0.000013617   -0.000030474
     20        1           0.000005398   -0.000010049   -0.000051135
     21        1          -0.000012774   -0.000020556   -0.000031332
     22        6           0.000011915    0.000002955   -0.000020158
     23        1           0.000020373    0.000018851   -0.000054629
     24        1           0.000022438    0.000003427   -0.000020637
     25        1           0.000018283    0.000013963   -0.000030184
     26        6          -0.000008156   -0.000041251   -0.000002736
     27        8          -0.000041141    0.000001527    0.000031821
     28        7          -0.000013663    0.000008437   -0.000007701
     29        1           0.000041951    0.000019582    0.000051571
     30        6           0.000009117    0.000002359    0.000009218
     31        1           0.000007661   -0.000001368   -0.000008480
     32        1          -0.000008907   -0.000008432   -0.000002848
     33        1          -0.000007698    0.000019157    0.000009596
     34        6          -0.000033316   -0.000019596   -0.000002262
     35        1          -0.000014282   -0.000018084    0.000009664
     36        1          -0.000015048   -0.000023270    0.000014651
     37        1          -0.000002943   -0.000021001    0.000005202
     38        6          -0.000013665   -0.000034305   -0.000008070
     39        8           0.000011221   -0.000001118    0.000013251
     40        7          -0.000027007    0.000010975   -0.000057002
     41        1          -0.000006494   -0.000014398   -0.000004397
     42        6          -0.000052875   -0.000050907    0.000022494
     43        1          -0.000006051   -0.000002369    0.000019656
     44        1          -0.000005861   -0.000002852    0.000014596
     45        1          -0.000036572   -0.000015583    0.000045457
     46        6          -0.000008593   -0.000017371    0.000046707
     47        1          -0.000015527   -0.000042010   -0.000024410
     48        1          -0.000024947   -0.000010950   -0.000011623
     49        1          -0.000025729   -0.000034897   -0.000007166
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000150169 RMS     0.000027121
 Leave Link  716 at Mon Nov 14 04:09:38 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000034722 RMS     0.000004294
 Search for a local minimum.
 Step number  89 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .42941D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   61   62   67   68   74
                                                     75   76   77   78   79
                                                     80   81   82   83   84
                                                     85   86   87   88   89
 DE= -6.28D-07 DEPred=-3.30D-07 R= 1.90D+00
 Trust test= 1.90D+00 RLast= 4.80D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1
 ITU= -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0
 ITU=  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00008   0.00057   0.00098   0.00107   0.00122
     Eigenvalues ---    0.00151   0.00199   0.00213   0.00228   0.00282
     Eigenvalues ---    0.00353   0.00423   0.00480   0.00571   0.00644
     Eigenvalues ---    0.00713   0.00772   0.00795   0.00830   0.00880
     Eigenvalues ---    0.01031   0.01140   0.01184   0.01194   0.01230
     Eigenvalues ---    0.01252   0.01310   0.01471   0.01505   0.01544
     Eigenvalues ---    0.01664   0.01730   0.01785   0.01805   0.01858
     Eigenvalues ---    0.01888   0.01961   0.02038   0.02125   0.02146
     Eigenvalues ---    0.02231   0.02328   0.02518   0.02657   0.02733
     Eigenvalues ---    0.02942   0.03093   0.03326   0.03738   0.04017
     Eigenvalues ---    0.04464   0.04826   0.05331   0.05563   0.05720
     Eigenvalues ---    0.05988   0.06205   0.06314   0.06430   0.06660
     Eigenvalues ---    0.07014   0.07123   0.07456   0.07519   0.07736
     Eigenvalues ---    0.07911   0.08095   0.08149   0.08273   0.08358
     Eigenvalues ---    0.08716   0.08810   0.08967   0.09099   0.09383
     Eigenvalues ---    0.09492   0.09699   0.09798   0.09943   0.10039
     Eigenvalues ---    0.10207   0.10393   0.10504   0.10772   0.11008
     Eigenvalues ---    0.11083   0.11283   0.11409   0.11562   0.13321
     Eigenvalues ---    0.13434   0.14234   0.14811   0.15152   0.15319
     Eigenvalues ---    0.15580   0.15947   0.21170   0.22517   0.23019
     Eigenvalues ---    0.23570   0.24619   0.24731   0.26044   0.26255
     Eigenvalues ---    0.26866   0.27353   0.28208   0.29259   0.29686
     Eigenvalues ---    0.29881   0.31073   0.32801   0.32825   0.32827
     Eigenvalues ---    0.32934   0.33299   0.33347   0.33358   0.33375
     Eigenvalues ---    0.33394   0.33422   0.33512   0.33562   0.33697
     Eigenvalues ---    0.33797   0.33821   0.33840   0.33926   0.33958
     Eigenvalues ---    0.34053   0.34200   0.34297   0.37297   0.38869
     Eigenvalues ---    0.40349   0.40768   0.85956   0.86137   0.86477
     Eigenvalues ---    0.89530
 Eigenvalue     1 is   8.24D-05 Eigenvector:
                         D399      D397      D381      D407      D395
   1                   -0.23613  -0.22698  -0.22595  -0.22022  -0.22019
                         D405      D403      D401      D393      D383
   1                   -0.21941  -0.21732  -0.21717  -0.21700  -0.21651
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    89   88   87   86   85
 RFO step:  Lambda=-5.84459453D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  7.07D-07 SmlDif=  1.00D-05
 RMS Error=  0.2086210927D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.70457   -0.72440   -0.37835    0.56168   -0.16349
 Iteration  1 RMS(Cart)=  0.00046324 RMS(Int)=  0.00000386
 Iteration  2 RMS(Cart)=  0.00000409 RMS(Int)=  0.00000042
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000042
 ITry= 1 IFail=0 DXMaxC= 3.42D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59646   0.00000  -0.00002   0.00031   0.00029   6.59675
    R2        6.26375  -0.00001  -0.00060  -0.00018  -0.00077   6.26298
    R3        7.25479  -0.00001  -0.00062  -0.00063  -0.00125   7.25354
    R4        6.35059   0.00000  -0.00078  -0.00050  -0.00128   6.34931
    R5        6.52905   0.00000  -0.00060   0.00024  -0.00036   6.52869
    R6        5.97580   0.00000   0.00070   0.00048   0.00118   5.97698
    R7        6.70139   0.00000   0.00028   0.00033   0.00061   6.70200
    R8        6.22984   0.00001  -0.00013   0.00012  -0.00001   6.22983
    R9        6.66183   0.00001  -0.00016   0.00023   0.00008   6.66190
   R10        6.06790   0.00001   0.00032   0.00049   0.00081   6.06871
   R11        6.95457   0.00000  -0.00027   0.00010  -0.00017   6.95441
   R12        6.02804   0.00000  -0.00015   0.00010  -0.00005   6.02799
   R13        6.88810  -0.00001  -0.00024   0.00028   0.00004   6.88814
   R14        6.19690  -0.00001  -0.00024  -0.00016  -0.00040   6.19650
   R15        6.86660   0.00001  -0.00024  -0.00024  -0.00048   6.86612
   R16        5.95242   0.00000   0.00048   0.00005   0.00052   5.95294
   R17        6.68797  -0.00001   0.00031  -0.00042  -0.00012   6.68785
   R18        6.57810  -0.00001  -0.00021   0.00036   0.00015   6.57826
   R19        6.22173   0.00000  -0.00033   0.00004  -0.00028   6.22144
   R20        6.57765   0.00000  -0.00052  -0.00037  -0.00089   6.57677
   R21        6.04427   0.00000   0.00083  -0.00018   0.00065   6.04493
   R22        7.00919   0.00001  -0.00079   0.00044  -0.00034   7.00884
   R23        6.01843   0.00000  -0.00059   0.00035  -0.00024   6.01819
   R24        2.34968   0.00000  -0.00001   0.00001   0.00000   2.34968
   R25        2.57152   0.00000  -0.00002   0.00003   0.00001   2.57152
   R26        2.09475   0.00000   0.00000   0.00000   0.00000   2.09475
   R27        2.76511   0.00001   0.00017  -0.00004   0.00013   2.76524
   R28        2.76823   0.00001   0.00009   0.00001   0.00011   2.76834
   R29        2.07653   0.00000   0.00000   0.00000  -0.00001   2.07653
   R30        2.08257  -0.00002  -0.00002  -0.00002  -0.00005   2.08252
   R31        2.08300   0.00000  -0.00002   0.00001  -0.00001   2.08298
   R32        2.08098   0.00000  -0.00004   0.00001  -0.00003   2.08094
   R33        2.07465   0.00000   0.00001   0.00000   0.00000   2.07465
   R34        2.08350   0.00000  -0.00001   0.00001   0.00000   2.08350
   R35        2.34874   0.00000  -0.00001   0.00000  -0.00001   2.34873
   R36        2.57172  -0.00001   0.00001   0.00000   0.00000   2.57173
   R37        2.09413   0.00000   0.00000   0.00001   0.00001   2.09414
   R38        2.76849  -0.00002   0.00004  -0.00003   0.00002   2.76851
   R39        2.76509  -0.00001   0.00003   0.00000   0.00003   2.76512
   R40        2.08187  -0.00001  -0.00001  -0.00002  -0.00003   2.08184
   R41        2.08405   0.00000   0.00000   0.00000   0.00000   2.08405
   R42        2.07403   0.00000  -0.00001   0.00000  -0.00001   2.07402
   R43        2.08325   0.00000   0.00000   0.00000   0.00000   2.08325
   R44        2.08343  -0.00001  -0.00003  -0.00002  -0.00004   2.08339
   R45        2.07665   0.00000   0.00000   0.00000   0.00000   2.07665
   R46        2.34824   0.00001   0.00000   0.00000   0.00000   2.34824
   R47        2.57186  -0.00001   0.00000  -0.00001  -0.00001   2.57185
   R48        2.09359   0.00000   0.00000   0.00000   0.00000   2.09359
   R49        2.76526   0.00000   0.00005  -0.00001   0.00004   2.76530
   R50        2.76866   0.00001   0.00001   0.00001   0.00002   2.76868
   R51        2.08441   0.00000   0.00000   0.00000   0.00000   2.08441
   R52        2.08212   0.00001   0.00002   0.00000   0.00002   2.08215
   R53        2.07605   0.00000  -0.00001   0.00000  -0.00001   2.07604
   R54        2.08521   0.00000   0.00000   0.00000   0.00000   2.08522
   R55        2.07385   0.00000   0.00000   0.00001   0.00001   2.07386
   R56        2.07787   0.00000  -0.00001  -0.00001  -0.00002   2.07785
   R57        2.34893  -0.00001  -0.00008   0.00002  -0.00006   2.34887
   R58        2.57218  -0.00002   0.00013  -0.00008   0.00005   2.57223
   R59        2.09502   0.00000   0.00000  -0.00001  -0.00001   2.09501
   R60        2.76974  -0.00002  -0.00002  -0.00001  -0.00003   2.76971
   R61        2.76508   0.00002   0.00006  -0.00002   0.00004   2.76512
   R62        2.07459   0.00000   0.00001   0.00000   0.00001   2.07459
   R63        2.08343   0.00001   0.00003  -0.00001   0.00002   2.08345
   R64        2.08003   0.00000   0.00003  -0.00004   0.00000   2.08002
   R65        2.07608   0.00000  -0.00001   0.00000   0.00000   2.07607
   R66        2.08529  -0.00001   0.00002   0.00000   0.00001   2.08530
   R67        2.08226  -0.00001  -0.00002   0.00000  -0.00002   2.08224
    A1        0.68010   0.00000   0.00007   0.00004   0.00011   0.68021
    A2        0.95689   0.00000   0.00008   0.00007   0.00015   0.95704
    A3        0.72700   0.00000   0.00005  -0.00002   0.00003   0.72703
    A4        1.01886   0.00000   0.00002  -0.00002   0.00000   1.01886
    A5        2.34660   0.00000   0.00006   0.00000   0.00006   2.34666
    A6        2.02788   0.00000  -0.00001  -0.00005  -0.00006   2.02782
    A7        1.98301   0.00000  -0.00011  -0.00014  -0.00025   1.98276
    A8        1.69035   0.00000  -0.00017  -0.00016  -0.00033   1.69001
    A9        1.65748   0.00000   0.00003   0.00000   0.00002   1.65750
   A10        1.37614   0.00000   0.00000  -0.00001  -0.00001   1.37613
   A11        1.73158   0.00000   0.00018   0.00012   0.00030   1.73189
   A12        2.03605   0.00000   0.00012   0.00008   0.00020   2.03625
   A13        1.94174   0.00000  -0.00005   0.00003  -0.00002   1.94172
   A14        2.02965   0.00000   0.00005   0.00009   0.00014   2.02980
   A15        2.43022   0.00000   0.00018   0.00012   0.00029   2.43051
   A16        1.58977   0.00000  -0.00006  -0.00003  -0.00009   1.58969
   A17        1.78998  -0.00001   0.00004   0.00001   0.00005   1.79002
   A18        1.56849   0.00000   0.00009   0.00005   0.00014   1.56863
   A19        1.70731   0.00000   0.00032   0.00016   0.00049   1.70780
   A20        2.19340   0.00000   0.00011  -0.00002   0.00009   2.19349
   A21        2.41373  -0.00001   0.00007   0.00004   0.00012   2.41385
   A22        0.64288   0.00000   0.00008   0.00004   0.00012   0.64300
   A23        0.65905   0.00000  -0.00002   0.00000  -0.00002   0.65903
   A24        2.39760   0.00000   0.00026   0.00015   0.00041   2.39801
   A25        2.22577   0.00000   0.00013   0.00004   0.00017   2.22594
   A26        2.32516   0.00000  -0.00001  -0.00010  -0.00011   2.32505
   A27        2.06142   0.00000  -0.00012  -0.00015  -0.00027   2.06114
   A28        1.81801   0.00000   0.00012   0.00005   0.00017   1.81818
   A29        1.57789   0.00000   0.00006   0.00003   0.00009   1.57798
   A30        1.33845   0.00000   0.00016   0.00011   0.00027   1.33872
   A31        1.63746   0.00000   0.00012   0.00010   0.00022   1.63768
   A32        1.58810   0.00000   0.00001   0.00009   0.00009   1.58819
   A33        1.74038   0.00000   0.00014   0.00016   0.00030   1.74069
   A34        2.03386   0.00000   0.00015   0.00011   0.00027   2.03413
   A35        1.85389   0.00000  -0.00001  -0.00005  -0.00006   1.85383
   A36        1.92210  -0.00001   0.00010   0.00000   0.00011   1.92221
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   A267       1.89684   0.00000   0.00004   0.00001   0.00004   1.89688
   A268       1.91377   0.00000  -0.00003  -0.00001  -0.00004   1.91372
   A269       1.91145   0.00000   0.00004  -0.00001   0.00003   1.91148
   A270       2.67160   0.00000   0.00013   0.00004   0.00018   2.67178
   A271       1.69156   0.00000  -0.00011  -0.00006  -0.00017   1.69139
   A272       1.92489   0.00000  -0.00005   0.00003  -0.00001   1.92488
   A273       1.91279   0.00000   0.00003  -0.00002   0.00000   1.91279
   A274       1.91359   0.00000  -0.00003   0.00001  -0.00001   1.91357
   A275       1.89428   0.00000   0.00005  -0.00002   0.00004   1.89431
   A276       1.91099   0.00000  -0.00001   0.00000  -0.00001   1.91099
   A277       1.90711   0.00000   0.00001  -0.00001  -0.00001   1.90710
   A278       1.81138  -0.00002  -0.00003   0.00001  -0.00002   1.81135
   A279       1.75024   0.00003   0.00009   0.00022   0.00031   1.75054
   A280       2.18996  -0.00001   0.00003  -0.00004  -0.00001   2.18996
   A281       2.13060  -0.00001  -0.00002   0.00001  -0.00002   2.13058
   A282       1.96254   0.00001  -0.00001   0.00003   0.00002   1.96257
   A283       2.12280   0.00000  -0.00002  -0.00002  -0.00004   2.12276
   A284       2.11524   0.00000   0.00004  -0.00004   0.00000   2.11524
   A285       2.04214   0.00000  -0.00003   0.00006   0.00002   2.04217
   A286       2.69747   0.00001   0.00075   0.00032   0.00107   2.69854
   A287       1.66168  -0.00001  -0.00069  -0.00033  -0.00102   1.66066
   A288       1.92591   0.00001   0.00006   0.00005   0.00011   1.92602
   A289       1.91544  -0.00001  -0.00007  -0.00003  -0.00010   1.91534
   A290       1.91250  -0.00001  -0.00004  -0.00002  -0.00007   1.91244
   A291       1.89095   0.00000   0.00008   0.00000   0.00008   1.89104
   A292       1.91239   0.00000  -0.00003   0.00001  -0.00002   1.91238
   A293       1.90642   0.00000   0.00001  -0.00002  -0.00001   1.90641
   A294       1.35154   0.00000   0.00043  -0.00032   0.00012   1.35165
   A295       1.15295   0.00001  -0.00017   0.00025   0.00008   1.15303
   A296       1.93302   0.00000  -0.00004  -0.00001  -0.00005   1.93297
   A297       1.90710   0.00000   0.00002   0.00004   0.00006   1.90716
   A298       1.90182   0.00001   0.00004   0.00000   0.00005   1.90187
   A299       1.90939   0.00000   0.00002  -0.00004  -0.00002   1.90937
   A300       1.89830   0.00000  -0.00003   0.00001  -0.00002   1.89829
   A301       1.91412   0.00000  -0.00001   0.00000  -0.00002   1.91411
   A302       1.64653   0.00000  -0.00003  -0.00006  -0.00010   1.64644
   A303       1.80626   0.00000   0.00016   0.00020   0.00035   1.80662
   A304       2.18952  -0.00001  -0.00009   0.00001  -0.00008   2.18943
   A305       2.12990   0.00000   0.00007   0.00003   0.00010   2.13000
   A306       1.96341   0.00001   0.00003  -0.00004  -0.00001   1.96339
   A307       2.12536   0.00001  -0.00005   0.00000  -0.00004   2.12531
   A308       2.12368   0.00000  -0.00006   0.00005  -0.00001   2.12366
   A309       2.03076  -0.00001   0.00009  -0.00004   0.00005   2.03080
   A310       1.30503   0.00000  -0.00071  -0.00024  -0.00095   1.30408
   A311       3.04499   0.00000   0.00088   0.00012   0.00100   3.04599
   A312       1.91166   0.00000   0.00005   0.00001   0.00007   1.91173
   A313       1.92924   0.00000   0.00025   0.00000   0.00024   1.92948
   A314       1.90261  -0.00001  -0.00008  -0.00006  -0.00014   1.90248
   A315       1.91176   0.00000  -0.00028   0.00005  -0.00023   1.91154
   A316       1.91157   0.00001   0.00004   0.00003   0.00008   1.91165
   A317       1.89684   0.00000   0.00001  -0.00003  -0.00002   1.89682
   A318       1.78639  -0.00001  -0.00075   0.00029  -0.00046   1.78593
   A319       1.91582  -0.00001  -0.00007   0.00001  -0.00006   1.91576
   A320       1.91460  -0.00001  -0.00007  -0.00003  -0.00010   1.91450
   A321       1.92029   0.00000   0.00011  -0.00004   0.00007   1.92036
   A322       1.90720   0.00000  -0.00011   0.00003  -0.00007   1.90713
   A323       1.91032   0.00001   0.00009   0.00001   0.00010   1.91042
   A324       1.89543   0.00001   0.00004   0.00001   0.00005   1.89548
   A325       2.93989   0.00000  -0.00002  -0.00007  -0.00010   2.93980
   A326       3.36478   0.00000   0.00035   0.00016   0.00051   3.36529
   A327       3.08345   0.00000   0.00032   0.00016   0.00048   3.08392
   A328       3.19591   0.00001  -0.00069   0.00003  -0.00066   3.19525
   A329       3.26975   0.00000  -0.00033  -0.00012  -0.00045   3.26930
   A330       3.26092   0.00000   0.00045  -0.00035   0.00010   3.26102
   A331       3.69671   0.00000  -0.00066   0.00031  -0.00036   3.69636
   A332       3.21779   0.00000   0.00041   0.00007   0.00048   3.21827
   A333       2.97732  -0.00001  -0.00040  -0.00015  -0.00055   2.97677
   A334       2.90996   0.00000  -0.00034  -0.00010  -0.00044   2.90951
   A335       3.22927   0.00000  -0.00043  -0.00015  -0.00058   3.22870
   A336       3.07688   0.00000   0.00012   0.00009   0.00021   3.07709
   A337       3.10325   0.00000   0.00002   0.00010   0.00012   3.10337
   A338       3.04566   0.00000  -0.00008   0.00008   0.00001   3.04567
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    D2       -1.36126   0.00000   0.00019   0.00000   0.00019  -1.36107
    D3        2.78077   0.00000   0.00001  -0.00010  -0.00009   2.78069
    D4       -1.33841   0.00000   0.00018  -0.00014   0.00004  -1.33837
    D5        1.66182   0.00000  -0.00006   0.00000  -0.00006   1.66176
    D6       -2.45736   0.00000   0.00011  -0.00005   0.00006  -2.45730
    D7        1.84322   0.00000   0.00017  -0.00003   0.00013   1.84335
    D8       -2.27596   0.00000   0.00033  -0.00008   0.00026  -2.27571
    D9        0.31970  -0.00001  -0.00054  -0.00036  -0.00091   0.31879
   D10        2.48370  -0.00001  -0.00038  -0.00041  -0.00078   2.48292
   D11        0.03280   0.00000  -0.00040  -0.00022  -0.00062   0.03218
   D12        2.19681   0.00000  -0.00023  -0.00027  -0.00050   2.19631
   D13       -0.43702   0.00000  -0.00039  -0.00017  -0.00056  -0.43758
   D14        1.72699   0.00000  -0.00023  -0.00021  -0.00044   1.72655
   D15       -0.55870   0.00000  -0.00028  -0.00008  -0.00036  -0.55906
   D16        1.60531   0.00000  -0.00011  -0.00013  -0.00024   1.60507
   D17        0.21225   0.00000  -0.00026  -0.00014  -0.00040   0.21186
   D18        2.37626   0.00000  -0.00009  -0.00018  -0.00027   2.37599
   D19        0.14489   0.00000  -0.00020  -0.00009  -0.00029   0.14460
   D20        2.30889   0.00000  -0.00003  -0.00013  -0.00017   2.30873
   D21        2.40042   0.00000  -0.00023  -0.00019  -0.00043   2.39999
   D22       -1.71876   0.00000  -0.00007  -0.00023  -0.00030  -1.71906
   D23        2.15754   0.00000  -0.00036  -0.00021  -0.00057   2.15698
   D24       -1.96164   0.00000  -0.00019  -0.00025  -0.00045  -1.96208
   D25        1.71529   0.00000  -0.00035  -0.00022  -0.00057   1.71471
   D26       -2.40389   0.00000  -0.00019  -0.00027  -0.00045  -2.40434
   D27        1.40876   0.00000  -0.00038  -0.00024  -0.00062   1.40814
   D28       -2.71042   0.00000  -0.00021  -0.00029  -0.00050  -2.71091
   D29        2.36810   0.00000  -0.00058  -0.00019  -0.00077   2.36733
   D30       -1.75108   0.00000  -0.00041  -0.00023  -0.00065  -1.75173
   D31       -1.75042   0.00000   0.00015  -0.00003   0.00011  -1.75031
   D32        0.41358   0.00000   0.00031  -0.00008   0.00024   0.41382
   D33       -2.10083   0.00000   0.00017   0.00002   0.00019  -2.10064
   D34        0.06317   0.00000   0.00033  -0.00002   0.00031   0.06349
   D35       -2.47561   0.00000   0.00010  -0.00002   0.00007  -2.47554
   D36       -0.31161   0.00000   0.00026  -0.00007   0.00020  -0.31141
   D37       -2.76507   0.00000   0.00014   0.00001   0.00015  -2.76491
   D38       -0.60106   0.00000   0.00031  -0.00003   0.00028  -0.60079
   D39       -2.12706   0.00000   0.00030   0.00007   0.00037  -2.12669
   D40        0.03694   0.00000   0.00047   0.00003   0.00050   0.03744
   D41       -2.36894   0.00000   0.00011   0.00024   0.00035  -2.36859
   D42       -0.20493   0.00000   0.00028   0.00019   0.00047  -0.20446
   D43        1.26300   0.00000   0.00000   0.00024   0.00024   1.26324
   D44       -1.92703   0.00000   0.00016   0.00006   0.00023  -1.92680
   D45        2.45735   0.00000  -0.00005   0.00014   0.00009   2.45744
   D46       -0.73268   0.00000   0.00012  -0.00004   0.00008  -0.73260
   D47        2.94322   0.00000   0.00007   0.00011   0.00018   2.94340
   D48       -0.24681   0.00000   0.00024  -0.00007   0.00017  -0.24664
   D49        2.87080   0.00000  -0.00018   0.00002  -0.00016   2.87064
   D50       -0.31923   0.00000  -0.00001  -0.00016  -0.00017  -0.31940
   D51        2.05185  -0.00001  -0.00057  -0.00017  -0.00075   2.05111
   D52       -1.13818  -0.00001  -0.00040  -0.00035  -0.00076  -1.13894
   D53        1.15706   0.00000  -0.00082  -0.00017  -0.00099   1.15607
   D54       -2.03297   0.00000  -0.00065  -0.00035  -0.00100  -2.03398
   D55        1.01582   0.00000  -0.00039   0.00009  -0.00030   1.01552
   D56       -2.17421   0.00000  -0.00023  -0.00009  -0.00032  -2.17453
   D57        2.02443   0.00000  -0.00026   0.00005  -0.00021   2.02422
   D58       -1.16560   0.00000  -0.00010  -0.00013  -0.00022  -1.16582
   D59        1.82806   0.00000  -0.00021   0.00011  -0.00010   1.82796
   D60       -1.36197   0.00000  -0.00004  -0.00007  -0.00011  -1.36208
   D61       -2.27744   0.00000  -0.00024   0.00001  -0.00023  -2.27767
   D62        0.81571   0.00000  -0.00007  -0.00017  -0.00024   0.81547
   D63       -2.41177   0.00000  -0.00028   0.00006  -0.00023  -2.41200
   D64        0.68139   0.00000  -0.00012  -0.00012  -0.00024   0.68115
   D65       -2.81437   0.00000  -0.00032   0.00005  -0.00027  -2.81465
   D66        0.27878   0.00000  -0.00015  -0.00013  -0.00028   0.27850
   D67       -2.99082   0.00000  -0.00024   0.00010  -0.00014  -2.99095
   D68        0.10234   0.00000  -0.00007  -0.00008  -0.00015   0.10219
   D69       -2.13512   0.00000  -0.00034   0.00012  -0.00022  -2.13534
   D70        0.95804   0.00000  -0.00018  -0.00006  -0.00024   0.95780
   D71       -0.16018   0.00000   0.00013   0.00019   0.00032  -0.15987
   D72        2.93297   0.00000   0.00029   0.00001   0.00030   2.93328
   D73       -0.55862   0.00000   0.00008   0.00022   0.00030  -0.55833
   D74        2.53453   0.00000   0.00025   0.00004   0.00028   2.53482
   D75       -0.72622   0.00000   0.00003   0.00016   0.00019  -0.72603
   D76        2.36694   0.00000   0.00020  -0.00002   0.00018   2.36711
   D77       -1.06391   0.00000  -0.00003   0.00014   0.00011  -1.06380
   D78        2.02924   0.00000   0.00014  -0.00004   0.00010   2.02934
   D79       -0.84363   0.00000   0.00008   0.00026   0.00034  -0.84329
   D80        2.24952   0.00000   0.00024   0.00009   0.00033   2.24985
   D81       -1.14666   0.00000  -0.00002   0.00031   0.00029  -1.14638
   D82        1.94649   0.00000   0.00014   0.00013   0.00027   1.94676
   D83       -1.53335   0.00000  -0.00039  -0.00004  -0.00043  -1.53378
   D84       -2.60908   0.00000  -0.00041  -0.00011  -0.00051  -2.60959
   D85       -2.94741   0.00000  -0.00039  -0.00020  -0.00059  -2.94800
   D86        0.73806   0.00000  -0.00060  -0.00025  -0.00084   0.73722
   D87        0.31406   0.00000  -0.00061  -0.00024  -0.00085   0.31321
   D88       -0.06160   0.00000  -0.00072  -0.00033  -0.00104  -0.06264
   D89       -0.39979   0.00000  -0.00068  -0.00024  -0.00092  -0.40071
   D90        0.18556   0.00000  -0.00053  -0.00015  -0.00067   0.18489
   D91       -0.05324   0.00000  -0.00051  -0.00011  -0.00061  -0.05386
   D92        2.40338   0.00000  -0.00064  -0.00029  -0.00092   2.40246
   D93        2.05580   0.00000  -0.00069  -0.00025  -0.00093   2.05487
   D94        1.66139   0.00000  -0.00068  -0.00026  -0.00094   1.66045
   D95        1.37454   0.00000  -0.00068  -0.00024  -0.00092   1.37362
   D96        2.05942   0.00000  -0.00079  -0.00020  -0.00100   2.05842
   D97       -1.89472   0.00000  -0.00012  -0.00007  -0.00019  -1.89491
   D98       -2.43565   0.00000  -0.00020   0.00000  -0.00020  -2.43585
   D99       -2.65177   0.00000  -0.00033  -0.00009  -0.00042  -2.65219
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   D101      -2.90943   0.00000  -0.00031   0.00011  -0.00019  -2.90963
   D102       2.83855   0.00001  -0.00052   0.00002  -0.00050   2.83805
   D103      -2.90274   0.00001   0.00049   0.00035   0.00085  -2.90189
   D104       1.19457   0.00001   0.00046   0.00037   0.00082   1.19539
   D105       2.80682   0.00001   0.00043   0.00034   0.00077   2.80759
   D106       0.62094   0.00001   0.00039   0.00036   0.00075   0.62169
   D107       2.30385   0.00000   0.00022   0.00025   0.00047   2.30432
   D108       0.11797   0.00000   0.00018   0.00026   0.00044   0.11841
   D109       1.74425   0.00000  -0.00017   0.00002  -0.00016   1.74410
   D110      -0.44163   0.00000  -0.00021   0.00003  -0.00018  -0.44181
   D111       2.58848   0.00000   0.00020   0.00020   0.00041   2.58888
   D112       0.40260   0.00000   0.00016   0.00022   0.00038   0.40298
   D113       2.25163   0.00000   0.00004   0.00017   0.00021   2.25184
   D114       0.06575   0.00000   0.00000   0.00019   0.00019   0.06594
   D115      -1.61143   0.00000   0.00017   0.00001   0.00017  -1.61125
   D116       2.48587   0.00000   0.00013   0.00002   0.00015   2.48602
   D117      -1.77081   0.00000   0.00009  -0.00003   0.00007  -1.77075
   D118       2.32649   0.00000   0.00005  -0.00001   0.00004   2.32653
   D119      -2.73523   0.00000   0.00005   0.00000   0.00005  -2.73519
   D120       1.36207   0.00000   0.00001   0.00002   0.00003   1.36209
   D121      -2.69627   0.00000   0.00008   0.00003   0.00012  -2.69615
   D122       1.40104   0.00000   0.00005   0.00005   0.00009   1.40113
   D123       1.32675   0.00000   0.00012   0.00014   0.00026   1.32701
   D124      -0.85913   0.00000   0.00008   0.00015   0.00024  -0.85889
   D125       1.29679   0.00000   0.00030   0.00019   0.00049   1.29728
   D126      -0.88909   0.00000   0.00026   0.00021   0.00047  -0.88862
   D127       1.65295   0.00000   0.00043   0.00023   0.00067   1.65361
   D128      -0.53294   0.00000   0.00039   0.00025   0.00064  -0.53229
   D129       1.77783   0.00000   0.00037   0.00018   0.00055   1.77839
   D130      -0.40805   0.00000   0.00033   0.00019   0.00053  -0.40752
   D131       0.89641   0.00000   0.00040   0.00018   0.00058   0.89699
   D132      -1.28948   0.00000   0.00036   0.00020   0.00056  -1.28892
   D133      -0.95368   0.00000  -0.00008   0.00007   0.00000  -0.95369
   D134      -3.13957   0.00000  -0.00012   0.00009  -0.00003  -3.13959
   D135      -0.52809   0.00000  -0.00011   0.00001  -0.00010  -0.52819
   D136      -2.71397   0.00000  -0.00015   0.00002  -0.00013  -2.71410
   D137      -0.23793  -0.00001  -0.00026  -0.00006  -0.00031  -0.23825
   D138      -2.42382  -0.00001  -0.00030  -0.00004  -0.00034  -2.42415
   D139       0.16773  -0.00001  -0.00034  -0.00010  -0.00044   0.16729
   D140      -2.01815  -0.00001  -0.00038  -0.00009  -0.00047  -2.01862
   D141      -0.30855   0.00000  -0.00006   0.00002  -0.00004  -0.30859
   D142      -2.49444   0.00000  -0.00010   0.00004  -0.00006  -2.49450
   D143      -0.05797   0.00000   0.00010  -0.00002   0.00008  -0.05789
   D144      -2.24385   0.00000   0.00006   0.00000   0.00006  -2.24379
   D145      -2.47449   0.00000   0.00033   0.00029   0.00062  -2.47387
   D146      -2.72424   0.00000   0.00052   0.00042   0.00093  -2.72331
   D147      -2.40184   0.00000   0.00089   0.00058   0.00146  -2.40038
   D148       3.00224   0.00000   0.00035   0.00042   0.00077   3.00300
   D149       2.61810   0.00000   0.00037   0.00045   0.00082   2.61892
   D150       1.51348   0.00000   0.00010   0.00011   0.00021   1.51369
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   D375      -1.52191   0.00000   0.00444   0.00154   0.00598  -1.51592
   D376       0.70830   0.00000  -0.00057  -0.00022  -0.00079   0.70751
   D377      -1.76381   0.00000   0.00439   0.00145   0.00584  -1.75797
   D378       1.04964   0.00000  -0.00053  -0.00022  -0.00075   1.04889
   D379      -1.42247   0.00000   0.00443   0.00145   0.00588  -1.41659
   D380      -2.74025   0.00001  -0.00010   0.00006  -0.00004  -2.74030
   D381       1.07082   0.00001   0.00485   0.00173   0.00658   1.07741
   D382      -2.19483   0.00000  -0.00032  -0.00006  -0.00038  -2.19521
   D383       1.61624   0.00001   0.00464   0.00161   0.00625   1.62249
   D384      -1.95782   0.00000  -0.00041  -0.00005  -0.00047  -1.95828
   D385       1.85326   0.00000   0.00454   0.00162   0.00616   1.85942
   D386      -1.62942   0.00000  -0.00043  -0.00006  -0.00048  -1.62990
   D387       2.18166   0.00000   0.00453   0.00162   0.00615   2.18781
   D388      -1.69438   0.00000  -0.00069  -0.00027  -0.00095  -1.69534
   D389       2.11670   0.00000   0.00426   0.00141   0.00567   2.12237
   D390      -1.12268   0.00000  -0.00090  -0.00032  -0.00122  -1.12390
   D391       2.68840   0.00000   0.00405   0.00136   0.00541   2.69381
   D392       1.80166   0.00000  -0.00043  -0.00011  -0.00053   1.80113
   D393      -0.67045   0.00000   0.00453   0.00157   0.00609  -0.66435
   D394       2.10473   0.00000  -0.00045  -0.00012  -0.00057   2.10416
   D395      -0.36738   0.00000   0.00450   0.00155   0.00606  -0.36132
   D396       2.05892   0.00000  -0.00050  -0.00011  -0.00061   2.05831
   D397      -0.41318   0.00000   0.00445   0.00157   0.00601  -0.40717
   D398       2.26758   0.00000  -0.00022   0.00005  -0.00017   2.26741
   D399      -0.20452   0.00000   0.00474   0.00172   0.00646  -0.19807
   D400       2.50219   0.00000  -0.00046  -0.00011  -0.00057   2.50161
   D401       0.03008   0.00000   0.00449   0.00156   0.00606   0.03613
   D402      -1.53444   0.00000  -0.00039  -0.00012  -0.00051  -1.53495
   D403       2.27664   0.00000   0.00456   0.00156   0.00612   2.28276
   D404      -2.63112   0.00000  -0.00041  -0.00006  -0.00048  -2.63159
   D405       1.17996   0.00000   0.00454   0.00161   0.00615   1.18611
   D406      -2.97962   0.00000  -0.00058   0.00001  -0.00057  -2.98019
   D407       0.83145   0.00000   0.00437   0.00169   0.00606   0.83751
   D408       1.91555   0.00000  -0.00004  -0.00026  -0.00031   1.91525
   D409       2.41393   0.00000   0.00000  -0.00029  -0.00029   2.41364
   D410       2.64389   0.00000   0.00014  -0.00023  -0.00008   2.64380
   D411       2.87624   0.00000   0.00018  -0.00012   0.00006   2.87630
   D412       2.84735   0.00000   0.00012  -0.00037  -0.00025   2.84710
   D413      -2.93982   0.00000   0.00018  -0.00027  -0.00009  -2.93992
   D414      -0.75101   0.00000   0.00044   0.00000   0.00044  -0.75057
   D415      -0.37135   0.00000   0.00042  -0.00003   0.00039  -0.37096
   D416      -0.05934   0.00000   0.00043  -0.00002   0.00041  -0.05892
   D417       0.24889   0.00000   0.00043  -0.00004   0.00039   0.24928
   D418      -0.24000   0.00000   0.00036  -0.00007   0.00029  -0.23971
   D419       0.06922   0.00000   0.00025  -0.00011   0.00014   0.06936
   D420      -2.55835   0.00000   0.00042  -0.00001   0.00041  -2.55793
   D421      -2.17672   0.00000   0.00044  -0.00003   0.00041  -2.17631
   D422      -1.92851   0.00000   0.00049   0.00000   0.00049  -1.92802
   D423      -1.61405   0.00000   0.00062   0.00006   0.00068  -1.61337
   D424      -1.96663   0.00000   0.00042  -0.00006   0.00036  -1.96626
   D425       1.30611   0.00000   0.00028  -0.00011   0.00017   1.30628
   D426       2.47128   0.00000   0.00023  -0.00008   0.00016   2.47144
   D427       2.94656   0.00000   0.00035  -0.00001   0.00034   2.94690
   D428      -3.07330   0.00001   0.00005   0.00011   0.00017  -3.07313
   D429       0.02815   0.00001   0.00021   0.00031   0.00052   0.02867
   D430       0.03949   0.00000   0.00031  -0.00010   0.00021   0.03970
   D431       3.14094   0.00000   0.00046   0.00010   0.00056   3.14150
   D432      -0.08237   0.00000   0.00024   0.00037   0.00061  -0.08175
   D433       2.01684   0.00000   0.00015   0.00046   0.00061   2.01745
   D434      -2.17939   0.00000   0.00022   0.00036   0.00058  -2.17881
   D435       3.09732   0.00000   0.00010   0.00018   0.00028   3.09760
   D436      -1.08666   0.00000   0.00000   0.00027   0.00027  -1.08639
   D437       1.00030   0.00000   0.00007   0.00017   0.00024   1.00054
   D438      -2.36993   0.00000  -0.00107  -0.00036  -0.00144  -2.37136
   D439      -0.28001   0.00001  -0.00107  -0.00035  -0.00142  -0.28143
   D440       1.82743   0.00000  -0.00108  -0.00036  -0.00145   1.82599
   D441       0.73352   0.00000  -0.00093  -0.00017  -0.00110   0.73242
   D442       2.82344   0.00001  -0.00092  -0.00016  -0.00108   2.82235
   D443      -1.35231   0.00000  -0.00094  -0.00017  -0.00111  -1.35342
   D444      -0.00094   0.00000   0.00020  -0.00009   0.00011  -0.00083
   D445       3.11432   0.00000   0.00032   0.00008   0.00040   3.11472
   D446      -3.12092   0.00000   0.00023  -0.00006   0.00017  -3.12075
   D447      -0.00566   0.00000   0.00034   0.00011   0.00046  -0.00521
   D448       2.41948   0.00000   0.00051   0.00030   0.00080   2.42028
   D449      -1.77977   0.00000   0.00056   0.00030   0.00086  -1.77891
   D450       0.32771  -0.00001   0.00060   0.00030   0.00090   0.32862
   D451      -0.69704   0.00000   0.00040   0.00014   0.00054  -0.69650
   D452       1.38689   0.00000   0.00045   0.00014   0.00059   1.38749
   D453      -2.78881  -0.00001   0.00049   0.00014   0.00064  -2.78817
   D454       2.05488   0.00000  -0.00032  -0.00014  -0.00046   2.05443
   D455      -2.14390   0.00000  -0.00026  -0.00015  -0.00041  -2.14431
   D456      -0.05069   0.00000  -0.00026  -0.00017  -0.00043  -0.05112
   D457      -1.11174   0.00000  -0.00021   0.00002  -0.00019  -1.11193
   D458       0.97266   0.00000  -0.00016   0.00001  -0.00015   0.97251
   D459       3.06587   0.00000  -0.00015  -0.00001  -0.00016   3.06571
   D460      -3.08149  -0.00002  -0.00009  -0.00002  -0.00011  -3.08159
   D461      -0.02552  -0.00002  -0.00029  -0.00008  -0.00037  -0.02589
   D462       0.07332  -0.00003  -0.00013  -0.00010  -0.00024   0.07308
   D463       3.12928  -0.00003  -0.00034  -0.00016  -0.00050   3.12878
   D464       1.93417  -0.00001  -0.00079  -0.00053  -0.00133   1.93284
   D465      -2.26642  -0.00001  -0.00070  -0.00052  -0.00122  -2.26763
   D466      -0.17309  -0.00001  -0.00077  -0.00057  -0.00133  -0.17442
   D467      -1.12522  -0.00001  -0.00060  -0.00047  -0.00107  -1.12629
   D468       0.95738   0.00000  -0.00050  -0.00046  -0.00096   0.95642
   D469       3.05071  -0.00001  -0.00057  -0.00051  -0.00108   3.04963
   D470      -1.63665   0.00000  -0.00031   0.00055   0.00023  -1.63642
   D471       0.46789   0.00000  -0.00030   0.00052   0.00022   0.46811
   D472       2.55907   0.00001  -0.00028   0.00054   0.00026   2.55933
   D473       1.42312   0.00000  -0.00051   0.00049  -0.00002   1.42309
   D474      -2.75553   0.00000  -0.00050   0.00046  -0.00004  -2.75557
   D475      -0.66435   0.00000  -0.00048   0.00048   0.00000  -0.66435
   D476       0.00440   0.00000  -0.00003   0.00008   0.00004   0.00444
   D477      -3.04550   0.00000   0.00028  -0.00011   0.00016  -3.04534
   D478       3.11758   0.00000   0.00007   0.00010   0.00017   3.11774
   D479       0.06768   0.00000   0.00038  -0.00009   0.00029   0.06796
   D480      -0.30343   0.00000  -0.00083  -0.00029  -0.00112  -0.30456
   D481       1.80462   0.00000  -0.00099  -0.00023  -0.00121   1.80341
   D482      -2.39470  -0.00001  -0.00087  -0.00030  -0.00118  -2.39588
   D483       2.75109   0.00000  -0.00113  -0.00011  -0.00124   2.74985
   D484      -1.42404   0.00000  -0.00129  -0.00004  -0.00133  -1.42537
   D485       0.65982  -0.00001  -0.00117  -0.00012  -0.00130   0.65852
   D486      -0.09346   0.00001   0.00070  -0.00002   0.00067  -0.09279
   D487       2.00237   0.00000   0.00049   0.00000   0.00049   2.00286
   D488      -2.19671   0.00000   0.00056  -0.00002   0.00054  -2.19617
   D489       3.13511   0.00000   0.00100  -0.00021   0.00079   3.13591
   D490      -1.05224   0.00000   0.00079  -0.00018   0.00061  -1.05164
   D491       1.03186   0.00000   0.00086  -0.00021   0.00066   1.03252
         Item               Value     Threshold  Converged?
 Maximum Force            0.000035     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.003416     0.001800     NO 
 RMS     Displacement     0.000467     0.001200     YES
 Predicted change in Energy=-1.847428D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:09:39 2016, MaxMem=  2952790016 cpu:        13.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.825666   -0.586319    1.667174
      2          6           0       -2.068389    1.118529   -1.369371
      3          8           0       -2.619509    0.139220   -1.901592
      4          7           0       -0.776403    1.163593   -0.944521
      5          1           0       -2.615204    2.060858   -1.165004
      6          6           0       -0.235542    2.333303   -0.251336
      7          1           0       -0.991240    3.130685   -0.227285
      8          1           0        0.043081    2.061116    0.779558
      9          1           0        0.662276    2.696965   -0.777327
     10          6           0        0.132126    0.026763   -1.112585
     11          1           0        0.699137   -0.121741   -0.180353
     12          1           0       -0.451330   -0.876371   -1.334432
     13          1           0        0.842905    0.218897   -1.933239
     14          6           0       -2.006026   -3.997157    2.621977
     15          8           0       -2.127962   -3.844216    3.849382
     16          7           0       -2.946380   -3.686590    1.688528
     17          1           0       -1.076281   -4.395098    2.168914
     18          6           0       -4.245091   -3.119964    2.060822
     19          1           0       -4.506437   -2.324866    1.344457
     20          1           0       -5.029945   -3.894153    2.031169
     21          1           0       -4.182997   -2.699279    3.072615
     22          6           0       -2.698425   -3.872200    0.258446
     23          1           0       -3.407303   -4.605238   -0.160425
     24          1           0       -2.834212   -2.913040   -0.267897
     25          1           0       -1.669964   -4.227641    0.104988
     26          6           0        1.561060    0.377217    2.609542
     27          8           0        1.397145    1.395606    3.302476
     28          7           0        1.176199   -0.882199    2.953026
     29          1           0        2.040970    0.415557    1.611737
     30          6           0        1.477652   -2.035124    2.103774
     31          1           0        2.224392   -2.685085    2.590177
     32          1           0        0.561501   -2.624025    1.936795
     33          1           0        1.866096   -1.688201    1.136480
     34          6           0        0.534987   -1.154780    4.241876
     35          1           0        1.282777   -1.459571    4.993881
     36          1           0        0.017951   -0.250621    4.587620
     37          1           0       -0.191188   -1.970519    4.114375
     38          6           0       -4.608956    1.095336    2.909404
     39          8           0       -4.856353    1.672636    1.836798
     40          7           0       -3.537752    1.344766    3.711326
     41          1           0       -5.250833    0.280348    3.300368
     42          6           0       -2.539743    2.362914    3.371414
     43          1           0       -2.622352    2.616805    2.306546
     44          1           0       -2.690071    3.270352    3.979279
     45          1           0       -1.535184    1.962983    3.577471
     46          6           0       -3.261168    0.534708    4.898075
     47          1           0       -4.076280   -0.184984    5.054862
     48          1           0       -2.312954   -0.013009    4.761702
     49          1           0       -3.168342    1.182965    5.784230
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490849   0.000000
     3  O    3.727289   1.243398   0.000000
     4  N    3.314226   1.360792   2.315678   0.000000
     5  H    3.956279   1.108493   2.057978   2.057884   0.000000
     6  C    3.838407   2.466780   3.636020   1.463304   2.563553
     7  H    4.254569   2.552133   3.795184   2.104764   2.158959
     8  H    3.359909   3.156687   4.239296   2.109395   3.293600
     9  H    4.790135   3.209128   4.310005   2.109261   3.361072
    10  C    3.454834   2.469849   2.864729   1.464941   3.418788
    11  H    3.162882   3.257489   3.747556   2.100775   4.088782
    12  H    3.313996   2.568214   2.460507   2.102178   3.652173
    13  H    4.553308   3.098857   3.463475   2.119474   3.992684
    14  C    3.546547   6.488836   6.160247   6.392590   7.170207
    15  O    3.932850   7.201929   7.013065   7.063028   7.762175
    16  N    3.296686   5.762880   5.256675   5.930094   6.425378
    17  H    3.914093   6.625997   6.285747   6.378280   7.427157
    18  C    3.525328   5.871038   5.381963   6.277957   6.316914
    19  H    3.211421   5.016565   4.490997   5.596599   5.395251
    20  H    4.619704   6.742513   6.127390   7.247630   7.176952
    21  H    3.463650   6.227236   5.936691   6.531771   6.563100
    22  C    3.680113   5.287165   4.556696   5.522726   6.101992
    23  H    4.689712   6.001312   5.114896   6.388728   6.787741
    24  H    3.189873   4.248915   3.468623   4.616419   5.058895
    25  H    3.965337   5.560037   4.898722   5.564649   6.484719
    26  C    3.645048   5.436377   6.155008   4.325908   5.875630
    27  O    4.121741   5.823474   6.692857   4.776518   6.041513
    28  N    3.279048   5.763106   6.246440   4.815474   6.324120
    29  H    3.994710   5.125233   5.842937   3.877061   5.665445
    30  C    3.633396   5.880703   6.128414   4.960308   6.649319
    31  H    4.654001   6.969467   7.184432   6.025876   7.749003
    32  H    3.150160   5.643914   5.699786   4.943482   6.454513
    33  H    3.889073   5.444005   5.717517   4.409772   6.279675
    34  C    3.539057   6.590266   7.026200   5.830378   7.035509
    35  H    4.635943   7.639888   8.082791   6.810714   8.094414
    36  H    3.469960   6.458570   7.015557   5.765031   6.735660
    37  H    3.252126   6.567920   6.821994   5.979762   7.071046
    38  C    3.481064   4.976238   5.293179   5.435610   4.637680
    39  O    3.783744   4.284776   4.618484   4.963956   3.766202
    40  N    3.292246   5.293741   5.813893   5.416159   5.014227
    41  H    3.892326   5.712877   5.831309   6.230547   5.482362
    42  C    3.480275   4.923994   5.723265   4.814045   4.547088
    43  H    3.362069   4.008002   4.883325   4.011084   3.515791
    44  H    4.578967   5.798698   6.662853   5.687211   5.285085
    45  H    3.198837   5.046648   5.875542   4.654372   4.864883
    46  C    3.708920   6.406594   6.841316   6.380084   6.285485
    47  H    4.086902   6.855768   7.114741   6.978571   6.772391
    48  H    3.184688   6.239411   6.672078   6.025476   6.286343
    49  H    4.677958   7.237960   7.775762   7.141277   7.026272
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098852   0.000000
     8  H    1.102025   1.796532   0.000000
     9  H    1.102268   1.795766   1.792092   0.000000
    10  C    2.489389   3.417607   2.779699   2.742888   0.000000
    11  H    2.627909   3.665768   2.473198   2.881465   1.101187
    12  H    3.394358   4.192108   3.652701   3.784074   1.097856
    13  H    2.909048   3.840947   3.375316   2.740361   1.102540
    14  C    7.173929   7.743010   6.655526   7.967833   5.891568
    15  O    7.652378   8.158468   7.000729   8.484039   6.686823
    16  N    6.881194   7.346302   6.542112   7.736447   5.577851
    17  H    7.199711   7.898507   6.698208   7.874026   5.637494
    18  C    7.152670   7.409021   6.846434   8.122439   6.255592
    19  H    6.518101   6.677576   6.344610   7.512413   5.751824
    20  H    8.183968   8.411902   7.922586   9.150512   7.204426
    21  H    7.208185   7.420588   6.766033   8.210857   6.600567
    22  C    6.695814   7.224320   6.556802   7.451245   5.009356
    23  H    7.629658   8.104710   7.564985   8.382375   5.906741
    24  H    5.854696   6.318607   5.841079   6.630015   4.260880
    25  H    6.725364   7.397029   6.552712   7.359891   4.778071
    26  C    3.903675   4.705678   2.913524   4.202372   4.002362
    27  O    4.021756   4.601532   2.939645   4.344923   4.792366
    28  N    4.753989   5.560163   3.830278   5.195197   4.294822
    29  H    3.511596   4.466343   2.718814   3.579560   3.349146
    30  C    5.250213   6.181816   4.537701   5.599844   4.050529
    31  H    6.269744   7.218141   5.528371   6.538100   5.044021
    32  H    5.477070   6.341209   4.853710   5.974072   4.063220
    33  H    4.745041   5.765924   4.184275   4.933713   3.317537
    34  C    5.740157   6.377145   4.750959   6.328076   5.498054
    35  H    6.648571   7.314518   5.629619   7.139234   6.389219
    36  H    5.491486   5.969506   4.454896   6.155166   5.708092
    37  H    6.130602   6.746286   5.237363   6.814877   5.604889
    38  C    5.536207   5.202820   5.206767   6.628958   6.308415
    39  O    5.113578   4.617948   5.027239   6.191782   6.024341
    40  N    5.252093   5.018654   4.683032   6.294178   6.202843
    41  H    6.479380   6.221968   6.127899   7.578422   6.965250
    42  C    4.293546   3.992238   3.671482   5.251339   5.718630
    43  H    3.509985   3.056943   3.121701   4.506160   5.097639
    44  H    4.980048   4.538801   4.378423   5.847419   6.664289
    45  H    4.060292   4.016910   3.213856   4.932730   5.340927
    46  C    6.237450   6.177457   5.496378   7.230419   6.921018
    47  H    7.017748   6.957889   6.347624   8.048228   7.469466
    48  H    5.911968   6.043155   5.070539   6.846663   6.362959
    49  H    6.808278   6.683689   6.010918   7.747248   7.732784
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795812   0.000000
    13  H    1.791455   1.798117   0.000000
    14  C    5.494525   5.273476   6.829458   0.000000
    15  O    6.171554   6.204122   7.666397   1.242893   0.000000
    16  N    5.430531   4.822955   6.536720   1.360898   2.316019
    17  H    5.189677   5.004542   6.465283   1.108173   2.057542
    18  C    6.201420   5.563639   7.279301   2.469368   2.864564
    19  H    5.854640   5.071339   6.769747   3.268129   3.773621
    20  H    7.207240   6.434127   8.192928   3.082816   3.424894
    21  H    6.407865   6.055608   7.670333   2.574251   2.477381
    22  C    5.079558   4.069605   5.837942   2.466031   3.636074
    23  H    6.079884   4.901073   6.669288   3.174130   4.277198
    24  H    4.503728   3.311139   5.109166   3.195712   4.279938
    25  H    4.748945   3.845518   5.499143   2.549763   3.791737
    26  C    2.962328   4.601753   4.601920   5.644413   5.741653
    27  O    3.862597   5.484492   5.394861   6.412998   6.338866
    28  N    3.259441   4.585977   5.019869   4.465323   4.527083
    29  H    2.302345   4.069466   3.747117   6.072133   6.366531
    30  C    3.079668   4.109129   4.667010   4.031639   4.395499
    31  H    4.070991   5.082666   5.550036   4.429332   4.676770
    32  H    3.280653   3.844613   4.810254   2.991181   3.518533
    33  H    2.355767   3.483524   3.755944   4.746715   5.287792
    34  C    4.544252   5.669704   6.333549   4.142454   3.805052
    35  H    5.376163   6.587473   7.141129   4.783461   4.316197
    36  H    4.818111   5.973482   6.589582   4.690071   4.250160
    37  H    4.759764   5.563662   6.514332   3.102927   2.707778
    38  C    6.261289   6.259683   7.344530   5.726373   5.606966
    39  O    6.176744   5.996530   6.986278   6.394328   6.475359
    40  N    5.936922   6.318158   7.233177   5.662951   5.378857
    41  H    6.905015   6.771602   8.032935   5.411658   5.202477
    42  C    5.410999   6.082715   6.646687   6.426276   6.239109
    43  H    4.971579   5.492935   5.977771   6.650101   6.661048
    44  H    6.347879   7.102309   7.533337   7.424747   7.137921
    45  H    4.843502   5.776111   6.250205   6.054580   5.843705
    46  C    6.473436   6.980722   7.975587   5.224347   4.643155
    47  H    7.086332   7.378439   8.555411   4.973686   4.317303
    48  H    5.788646   6.432254   7.405096   4.532777   3.942677
    49  H    7.227441   7.892931   8.750934   6.179360   5.486216
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056703   0.000000
    18  C    1.465032   3.417457   0.000000
    19  H    2.099155   4.090423   1.101663   0.000000
    20  H    2.121728   3.987654   1.102834   1.791171   0.000000
    21  H    2.102308   3.652967   1.097524   1.797590   1.797125
    22  C    1.463239   2.560207   2.491304   2.615831   2.928996
    23  H    2.115418   3.302066   2.800333   2.944972   2.818101
    24  H    2.106790   3.350353   2.730628   2.396241   3.327091
    25  H    2.104656   2.154134   3.418116   3.633513   3.887269
    26  C    6.138388   5.470348   6.800203   6.761377   7.875307
    27  O    6.877482   6.398051   7.332593   7.247623   8.420527
    28  N    5.143853   4.246052   5.932454   6.079567   6.959735
    29  H    6.458109   5.759349   7.226075   7.102809   8.291403
    30  C    4.740446   3.477972   5.824818   6.039026   6.768314
    31  H    5.343489   3.741130   6.505656   6.854607   7.375619
    32  H    3.673679   2.423409   4.833702   5.111200   5.734668
    33  H    5.240062   4.129261   6.344365   6.407634   7.295347
    34  C    5.004954   4.170494   5.609643   5.931281   6.584821
    35  H    5.811260   4.707751   6.474340   6.897973   7.386157
    36  H    5.384967   4.921806   5.726374   5.940596   6.729935
    37  H    4.052249   3.232150   4.687477   5.139979   5.608360
    38  C    5.207832   6.570616   4.315235   3.762626   5.083654
    39  O    5.691334   7.156581   4.836616   4.042879   5.572886
    40  N    5.454904   6.433034   4.812308   4.472876   5.700513
    41  H    4.862625   6.369213   3.756344   3.341685   4.368766
    42  C    6.292373   7.018437   5.889637   5.472817   6.866459
    43  H    6.341903   7.181648   5.966924   5.375454   6.947295
    44  H    7.328866   8.039954   6.850891   6.445769   7.784618
    45  H    6.121867   6.528386   5.956524   5.674535   6.993601
    46  C    5.312216   6.043595   4.730194   4.728219   5.564399
    47  H    4.986995   5.920621   4.196056   4.304792   4.879563
    48  H    4.831234   5.239716   4.547646   4.672645   5.468193
    49  H    6.366836   6.968645   5.791231   5.814375   6.582413
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391054   0.000000
    23  H    3.832353   1.102409   0.000000
    24  H    3.608869   1.102480   1.789838   0.000000
    25  H    4.178282   1.098917   1.797601   1.795186   0.000000
    26  C    6.532492   6.459752   7.561891   6.198698   6.157680
    27  O    6.925237   7.334138   8.431164   7.015438   7.159050
    28  N    5.660129   5.586911   6.675559   5.530104   5.234878
    29  H    7.111549   6.532849   7.617914   6.195157   6.131934
    30  C    5.781237   4.921350   5.966143   4.998772   4.325478
    31  H    6.425542   5.574974   6.555059   5.814639   4.870489
    32  H    4.879141   3.873230   4.906623   4.058949   3.302505
    33  H    6.431363   5.135722   6.164398   5.056224   4.473975
    34  C    5.100198   5.805776   6.843067   5.897545   5.605188
    35  H    5.924763   6.640413   7.645845   6.837286   6.346824
    36  H    5.093046   6.263886   7.296504   6.228912   6.225731
    37  H    4.189379   4.977029   5.963142   5.203675   4.832863
    38  C    3.821934   5.945933   6.585163   5.414059   6.696007
    39  O    4.592853   6.155734   6.745395   5.435736   6.925714
    40  N    4.144706   6.312177   7.100001   5.870102   6.895363
    41  H    3.173377   5.745584   6.264554   5.363795   6.584455
    42  C    5.330606   6.970824   7.860133   6.416150   7.406853
    43  H    5.593140   6.804975   7.672027   6.103427   7.252610
    44  H    6.219916   8.053615   8.926168   7.502907   8.501215
    45  H    5.385395   6.813106   7.785771   6.344283   7.099305
    46  C    3.826322   6.423680   7.213100   6.225473   6.941584
    47  H    3.203493   6.204809   6.869163   6.108747   6.828960
    48  H    3.683221   5.943169   6.820081   5.829130   6.313600
    49  H    4.842953   7.503985   8.300561   7.315541   7.985836
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242635   0.000000
    28  N    1.360966   2.315023   0.000000
    29  H    1.107881   2.057573   2.056954   0.000000
    30  C    2.466201   3.635007   1.463332   2.562277   0.000000
    31  H    3.133381   4.224185   2.116782   3.256526   1.103022
    32  H    3.234062   4.326756   2.108206   3.396107   1.101824
    33  H    2.555173   3.797541   2.103673   2.163850   1.098591
    34  C    2.462591   2.851361   1.465123   3.413440   2.497019
    35  H    3.022632   3.320537   2.123630   3.940794   2.953296
    36  H    2.586147   2.502766   2.100554   3.659547   3.388904
    37  H    3.293441   3.809564   2.098313   4.115712   2.613755
    38  C    6.218899   6.026435   6.113965   6.809373   6.891706
    39  O    6.592301   6.428935   6.645663   7.014555   7.344276
    40  N    5.305465   4.952066   5.268371   6.032732   6.257968
    41  H    6.847518   6.740877   6.540558   7.485997   7.215660
    42  C    4.619527   4.054569   4.951165   5.279356   6.090083
    43  H    4.754839   4.317356   5.204801   5.203348   6.204159
    44  H    5.321515   4.547315   5.765841   6.011478   7.002536
    45  H    3.610854   2.999349   3.979522   4.364347   5.218604
    46  C    5.340044   4.998697   5.047877   6.239142   6.071949
    47  H    6.170516   5.960496   5.700207   7.045319   6.555769
    48  H    4.448826   4.228283   4.025045   5.390975   5.051953
    49  H    5.752835   5.200769   5.581725   6.718299   6.744413
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787692   0.000000
    33  H    1.798718   1.793944   0.000000
    34  C    2.814966   2.733639   3.420508   0.000000
    35  H    2.857677   3.349921   3.907951   1.103448   0.000000
    36  H    3.845098   3.599356   4.170449   1.097437   1.796216
    37  H    2.944285   2.394884   3.630424   1.099552   1.790857
    38  C    7.815890   6.443077   7.267575   5.770499   6.751675
    39  O    8.348310   6.915522   7.548311   6.545628   7.580687
    40  N    7.120322   5.975294   6.710462   4.807954   5.722478
    41  H    8.073237   6.639122   7.694691   6.035043   6.970177
    42  C    6.984956   6.045280   6.388888   4.752457   5.644064
    43  H    7.188979   6.143284   6.328373   5.285749   6.252091
    44  H    7.845303   7.034780   7.309406   5.481948   6.259801
    45  H    6.059183   5.303636   5.555024   3.800986   4.654138
    46  C    6.766449   5.775775   6.736450   4.206633   4.963242
    47  H    7.212743   6.097564   7.274972   4.781761   5.508882
    48  H    5.695878   4.802083   5.780395   3.112014   3.882748
    49  H    7.365145   6.573253   7.429047   4.643119   5.236421
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796036   0.000000
    38  C    5.102575   5.510726   0.000000
    39  O    5.918174   6.342217   1.242966   0.000000
    40  N    3.994518   4.727902   1.361165   2.315181   0.000000
    41  H    5.449681   5.597233   1.108631   2.058183   2.058280
    42  C    3.853768   4.984611   2.470192   2.863252   1.465670
    43  H    4.516263   5.497485   2.573888   2.470401   2.104625
    44  H    4.483381   5.807701   3.091512   3.440305   2.120906
    45  H    2.886637   4.191304   3.263004   3.760905   2.100093
    46  C    3.386111   4.039199   2.466910   3.634682   1.463238
    47  H    4.121329   4.377967   2.554595   3.796736   2.106001
    48  H    2.349443   2.958508   3.151358   4.226741   2.108784
    49  H    3.693170   4.647184   3.216780   4.321039   2.111771
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419376   0.000000
    43  H    3.654534   1.097828   0.000000
    44  H    3.994814   1.102516   1.797149   0.000000
    45  H    4.088287   1.100701   1.795735   1.790091   0.000000
    46  C    2.564397   2.488671   3.385149   2.941782   2.600574
    47  H    2.162027   3.418586   4.185352   3.875281   3.640552
    48  H    3.294341   2.762127   3.611016   3.396300   2.431435
    49  H    3.364678   2.758460   3.801090   2.800674   2.854018
                   46         47         48         49
    46  C    0.000000
    47  H    1.098611   0.000000
    48  H    1.103495   1.795783   0.000000
    49  H    1.101873   1.796556   1.790978   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143719      0.1945458      0.1847381
 Leave Link  202 at Mon Nov 14 04:09:39 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1851991340 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843300579 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0008690761 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4037
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.62D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     225
 GePol: Fraction of low-weight points (<1% of avg)   =       5.57%
 GePol: Cavity surface area                          =    467.908 Ang**2
 GePol: Cavity volume                                =    458.339 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040126672 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9968564089 Hartrees.
 Leave Link  301 at Mon Nov 14 04:09:39 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:09:41 2016, MaxMem=  2952790016 cpu:        13.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:09:41 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000371   -0.000078    0.000089
         Rot=    1.000000    0.000011    0.000011    0.000019 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:09:42 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48892107.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.99D-15 for   1208.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.05D-14 for   2362    151.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.21D-15 for    731.
 Iteration    1 A^-1*A deviation from orthogonality  is 8.79D-11 for   1682   1681.
 E= -1013.45141315967    
 DIIS: error= 3.05D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141315967     IErMin= 1 ErrMin= 3.05D-05
 ErrMax= 3.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-06 BMatP= 1.04D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=5.60D-06 MaxDP=1.68D-04              OVMax= 2.43D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.60D-06    CP:  1.00D+00
 E= -1013.45141500307     Delta-E=       -0.000001843406 Rises=F Damp=F
 DIIS: error= 2.69D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141500307     IErMin= 2 ErrMin= 2.69D-06
 ErrMax= 2.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.29D-09 BMatP= 1.04D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-01 0.988D+00
 Coeff:      0.119D-01 0.988D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.42D-07 MaxDP=4.23D-05 DE=-1.84D-06 OVMax= 4.43D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.33D-07    CP:  1.00D+00  9.82D-01
 E= -1013.45141498480     Delta-E=        0.000000018276 Rises=F Damp=F
 DIIS: error= 7.25D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141500307     IErMin= 2 ErrMin= 2.69D-06
 ErrMax= 7.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-08 BMatP= 9.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-02 0.664D+00 0.334D+00
 Coeff:      0.145D-02 0.664D+00 0.334D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.44D-07 MaxDP=3.99D-05 DE= 1.83D-08 OVMax= 4.69D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.96D-07    CP:  1.00D+00  9.87D-01  3.83D-01
 E= -1013.45141500867     Delta-E=       -0.000000023876 Rises=F Damp=F
 DIIS: error= 2.33D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141500867     IErMin= 4 ErrMin= 2.33D-06
 ErrMax= 2.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-09 BMatP= 9.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.627D-04 0.293D+00 0.240D+00 0.467D+00
 Coeff:      0.627D-04 0.293D+00 0.240D+00 0.467D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.75D-07 MaxDP=9.74D-06 DE=-2.39D-08 OVMax= 1.59D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.20D-08    CP:  1.00D+00  9.90D-01  4.43D-01  5.25D-01
 E= -1013.45141501093     Delta-E=       -0.000000002261 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141501093     IErMin= 5 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.68D-10 BMatP= 3.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.254D-04 0.149D+00 0.140D+00 0.327D+00 0.384D+00
 Coeff:     -0.254D-04 0.149D+00 0.140D+00 0.327D+00 0.384D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.77D-08 MaxDP=3.69D-06 DE=-2.26D-09 OVMax= 3.91D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.19D-08    CP:  1.00D+00  9.90D-01  4.34D-01  5.55D-01  6.37D-01
 E= -1013.45141501122     Delta-E=       -0.000000000283 Rises=F Damp=F
 DIIS: error= 7.85D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141501122     IErMin= 6 ErrMin= 7.85D-08
 ErrMax= 7.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-12 BMatP= 3.68D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.236D-04 0.429D-01 0.433D-01 0.105D+00 0.160D+00 0.649D+00
 Coeff:     -0.236D-04 0.429D-01 0.433D-01 0.105D+00 0.160D+00 0.649D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.00D-09 MaxDP=3.12D-07 DE=-2.83D-10 OVMax= 3.87D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141501     A.U. after    6 cycles
            NFock=  6  Conv=0.70D-08     -V/T= 2.0213
 KE= 9.923504759583D+02 PE=-6.029537902651D+03 EE= 2.174739155273D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:11:01 2016, MaxMem=  2952790016 cpu:       897.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:11:09 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:11:10 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:11:46 2016, MaxMem=  2952790016 cpu:       440.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.25371195D+00-2.54023933D+00 3.31853420D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000129870   -0.000032196    0.000021639
      2        6           0.000018364    0.000029429    0.000015436
      3        8           0.000023959    0.000027128    0.000003272
      4        7           0.000003448    0.000043351    0.000015989
      5        1           0.000008772    0.000019117    0.000020812
      6        6          -0.000029714   -0.000002645    0.000017183
      7        1           0.000010330    0.000025325    0.000025657
      8        1          -0.000004834    0.000018617    0.000028987
      9        1           0.000017879    0.000030324    0.000052979
     10        6           0.000000911    0.000044577    0.000040021
     11        1           0.000011625    0.000023986    0.000014590
     12        1           0.000028680    0.000030438   -0.000017085
     13        1           0.000023867    0.000040895    0.000022746
     14        6          -0.000032070   -0.000007029   -0.000038300
     15        8          -0.000004410   -0.000013465   -0.000032523
     16        7          -0.000006112    0.000003183   -0.000030381
     17        1           0.000006483   -0.000003032   -0.000028949
     18        6           0.000025412   -0.000005773   -0.000071150
     19        1           0.000005978   -0.000008874   -0.000037461
     20        1           0.000004883   -0.000009604   -0.000051201
     21        1          -0.000016753   -0.000024418   -0.000027815
     22        6           0.000007027   -0.000002707   -0.000006795
     23        1           0.000019934    0.000021035   -0.000057424
     24        1           0.000017365    0.000014527   -0.000026071
     25        1           0.000018795    0.000013587   -0.000031144
     26        6          -0.000002097   -0.000029170    0.000003133
     27        8          -0.000036732    0.000002670    0.000028609
     28        7          -0.000010178   -0.000005661   -0.000001431
     29        1           0.000031272    0.000016329    0.000046711
     30        6           0.000001986    0.000005310    0.000009928
     31        1           0.000001356   -0.000003473   -0.000001437
     32        1          -0.000001333   -0.000002398   -0.000001164
     33        1          -0.000000864    0.000015757    0.000008959
     34        6          -0.000026521   -0.000015293    0.000002799
     35        1          -0.000015988   -0.000018042    0.000011673
     36        1          -0.000016683   -0.000020858    0.000009853
     37        1          -0.000003902   -0.000020209    0.000003184
     38        6           0.000017809   -0.000030310    0.000034890
     39        8          -0.000004047    0.000011913   -0.000020066
     40        7          -0.000046012    0.000005976   -0.000047970
     41        1          -0.000008022   -0.000021707   -0.000012739
     42        6          -0.000035480   -0.000031694    0.000020289
     43        1          -0.000005087   -0.000009959    0.000017177
     44        1          -0.000016963   -0.000017534    0.000026496
     45        1          -0.000040722   -0.000012645    0.000035744
     46        6          -0.000003023   -0.000019417    0.000019900
     47        1          -0.000017949   -0.000036402   -0.000013438
     48        1          -0.000023692   -0.000004816   -0.000002458
     49        1          -0.000026818   -0.000034140   -0.000001656
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000129870 RMS     0.000025596
 Leave Link  716 at Mon Nov 14 04:11:47 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000029654 RMS     0.000003845
 Search for a local minimum.
 Step number  90 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .38450D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   62   67   68   74   75
                                                     76   77   78   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
 DE= -3.46D-07 DEPred=-1.85D-07 R= 1.87D+00
 Trust test= 1.87D+00 RLast= 2.96D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1
 ITU=  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0
 ITU=  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00008   0.00055   0.00092   0.00111   0.00120
     Eigenvalues ---    0.00146   0.00199   0.00207   0.00227   0.00288
     Eigenvalues ---    0.00357   0.00419   0.00484   0.00561   0.00620
     Eigenvalues ---    0.00682   0.00774   0.00799   0.00823   0.00901
     Eigenvalues ---    0.01031   0.01088   0.01174   0.01188   0.01226
     Eigenvalues ---    0.01254   0.01312   0.01461   0.01507   0.01544
     Eigenvalues ---    0.01651   0.01733   0.01766   0.01791   0.01829
     Eigenvalues ---    0.01892   0.01936   0.02031   0.02063   0.02145
     Eigenvalues ---    0.02235   0.02336   0.02353   0.02625   0.02727
     Eigenvalues ---    0.02959   0.03082   0.03309   0.03674   0.04022
     Eigenvalues ---    0.04472   0.04752   0.05255   0.05514   0.05590
     Eigenvalues ---    0.05904   0.06236   0.06304   0.06348   0.06578
     Eigenvalues ---    0.06984   0.07048   0.07489   0.07516   0.07708
     Eigenvalues ---    0.07827   0.08065   0.08153   0.08230   0.08389
     Eigenvalues ---    0.08494   0.08721   0.08893   0.09063   0.09334
     Eigenvalues ---    0.09395   0.09718   0.09793   0.09884   0.10015
     Eigenvalues ---    0.10200   0.10344   0.10455   0.10815   0.10873
     Eigenvalues ---    0.11089   0.11261   0.11371   0.11576   0.13260
     Eigenvalues ---    0.13442   0.14212   0.14802   0.15152   0.15359
     Eigenvalues ---    0.15568   0.15896   0.21736   0.22477   0.23084
     Eigenvalues ---    0.23479   0.24664   0.24747   0.25740   0.26369
     Eigenvalues ---    0.26889   0.27322   0.28280   0.29259   0.29641
     Eigenvalues ---    0.29878   0.30782   0.32802   0.32824   0.32829
     Eigenvalues ---    0.32948   0.33295   0.33342   0.33358   0.33375
     Eigenvalues ---    0.33393   0.33422   0.33512   0.33544   0.33696
     Eigenvalues ---    0.33797   0.33820   0.33838   0.33923   0.33956
     Eigenvalues ---    0.34042   0.34202   0.34283   0.37293   0.38896
     Eigenvalues ---    0.40429   0.40822   0.85956   0.86106   0.86469
     Eigenvalues ---    0.89927
 Eigenvalue     1 is   7.74D-05 Eigenvector:
                         D399      D381      D397      D395      D407
   1                   -0.23588  -0.22735  -0.22625  -0.21992  -0.21908
                         D405      D383      D403      D401      D393
   1                   -0.21849  -0.21771  -0.21716  -0.21711  -0.21706
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    90   89   88   87   86
 RFO step:  Lambda=-4.10612493D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  7.14D-07 SmlDif=  1.00D-05
 RMS Error=  0.1998678887D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.08888   -1.02847   -0.57066    0.65427   -0.14402
 Iteration  1 RMS(Cart)=  0.00042433 RMS(Int)=  0.00000286
 Iteration  2 RMS(Cart)=  0.00000287 RMS(Int)=  0.00000019
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000019
 ITry= 1 IFail=0 DXMaxC= 3.20D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59675   0.00000   0.00005  -0.00028  -0.00022   6.59652
    R2        6.26298   0.00000  -0.00062   0.00014  -0.00048   6.26250
    R3        7.25354  -0.00001  -0.00104   0.00053  -0.00050   7.25303
    R4        6.34931   0.00000  -0.00112   0.00048  -0.00064   6.34867
    R5        6.52869   0.00000  -0.00027  -0.00001  -0.00028   6.52841
    R6        5.97698   0.00000   0.00061   0.00026   0.00087   5.97785
    R7        6.70200   0.00000   0.00061   0.00001   0.00062   6.70262
    R8        6.22983   0.00000   0.00025   0.00006   0.00032   6.23015
    R9        6.66190   0.00000   0.00051   0.00026   0.00077   6.66267
   R10        6.06871   0.00000   0.00098   0.00009   0.00107   6.06977
   R11        6.95441   0.00000   0.00012  -0.00010   0.00003   6.95443
   R12        6.02799   0.00000   0.00014  -0.00016  -0.00001   6.02798
   R13        6.88814   0.00000   0.00019  -0.00018   0.00001   6.88815
   R14        6.19650   0.00000  -0.00053  -0.00002  -0.00054   6.19596
   R15        6.86612   0.00001  -0.00060   0.00006  -0.00054   6.86558
   R16        5.95294   0.00000   0.00017   0.00026   0.00044   5.95338
   R17        6.68785  -0.00001  -0.00043   0.00003  -0.00040   6.68745
   R18        6.57826   0.00000  -0.00001  -0.00011  -0.00011   6.57814
   R19        6.22144   0.00000  -0.00017   0.00030   0.00014   6.22158
   R20        6.57677   0.00000  -0.00035   0.00019  -0.00015   6.57661
   R21        6.04493   0.00000   0.00107   0.00012   0.00119   6.04611
   R22        7.00884   0.00000  -0.00009   0.00010   0.00000   7.00885
   R23        6.01819   0.00000  -0.00010   0.00022   0.00011   6.01830
   R24        2.34968   0.00000   0.00000   0.00000   0.00000   2.34968
   R25        2.57152  -0.00001   0.00001  -0.00004  -0.00004   2.57149
   R26        2.09475   0.00000  -0.00001   0.00000   0.00000   2.09475
   R27        2.76524  -0.00001   0.00009  -0.00004   0.00005   2.76529
   R28        2.76834   0.00000   0.00011  -0.00005   0.00006   2.76839
   R29        2.07653   0.00000   0.00000   0.00000   0.00000   2.07653
   R30        2.08252   0.00000  -0.00006   0.00007   0.00002   2.08254
   R31        2.08298   0.00000  -0.00001   0.00001   0.00000   2.08298
   R32        2.08094   0.00000  -0.00002  -0.00001  -0.00003   2.08091
   R33        2.07465   0.00000   0.00000   0.00001   0.00000   2.07465
   R34        2.08350   0.00000   0.00000   0.00000   0.00000   2.08350
   R35        2.34873   0.00000   0.00000   0.00000  -0.00001   2.34872
   R36        2.57173  -0.00001  -0.00001  -0.00002  -0.00003   2.57170
   R37        2.09414   0.00000   0.00001   0.00000   0.00001   2.09415
   R38        2.76851  -0.00001  -0.00003  -0.00003  -0.00005   2.76845
   R39        2.76512  -0.00001   0.00000  -0.00002  -0.00002   2.76510
   R40        2.08184  -0.00001  -0.00005   0.00002  -0.00003   2.08181
   R41        2.08405   0.00000   0.00001   0.00000   0.00001   2.08406
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   A207       1.94736   0.00000   0.00030   0.00017   0.00047   1.94783
   A208       1.66507   0.00000   0.00028   0.00016   0.00044   1.66551
   A209       0.83438   0.00000  -0.00009  -0.00005  -0.00013   0.83424
   A210       2.66342   0.00000  -0.00007   0.00009   0.00002   2.66344
   A211       2.37511   0.00000   0.00014   0.00012   0.00026   2.37537
   A212       2.29392   0.00000   0.00033   0.00012   0.00045   2.29437
   A213       1.97750   0.00000   0.00028   0.00013   0.00040   1.97791
   A214       1.99792   0.00000   0.00004   0.00012   0.00016   1.99808
   A215       1.72059   0.00000   0.00008   0.00013   0.00021   1.72080
   A216       1.92976   0.00000   0.00028   0.00017   0.00045   1.93021
   A217       1.56018   0.00000   0.00031   0.00018   0.00048   1.56066
   A218       1.48742   0.00000   0.00034   0.00016   0.00049   1.48792
   A219       1.19499   0.00000   0.00020   0.00015   0.00035   1.19534
   A220       1.23764   0.00000   0.00024   0.00017   0.00040   1.23804
   A221       0.95705   0.00000   0.00021   0.00015   0.00036   0.95741
   A222       0.72550   0.00000   0.00002  -0.00001   0.00001   0.72550
   A223       1.01750  -0.00001  -0.00003  -0.00003  -0.00006   1.01744
   A224       0.69768   0.00000   0.00002   0.00000   0.00002   0.69770
   A225       0.98116   0.00000   0.00003   0.00000   0.00003   0.98119
   A226       0.65832   0.00000  -0.00010  -0.00003  -0.00013   0.65819
   A227       0.66246   0.00000   0.00000  -0.00003  -0.00003   0.66243
   A228       0.70422   0.00000   0.00002  -0.00003  -0.00001   0.70421
   A229       0.85029   0.00000  -0.00004  -0.00008  -0.00012   0.85016
   A230       0.75838  -0.00001  -0.00021  -0.00004  -0.00025   0.75813
   A231       0.78151  -0.00001  -0.00031  -0.00011  -0.00042   0.78109
   A232       1.58930   0.00000  -0.00002  -0.00012  -0.00014   1.58916
   A233       1.86408  -0.00001   0.00030   0.00008   0.00038   1.86446
   A234       2.19019   0.00000  -0.00001  -0.00004  -0.00005   2.19014
   A235       2.12917   0.00000  -0.00001   0.00005   0.00003   2.12921
   A236       1.96345   0.00000   0.00003   0.00000   0.00003   1.96348
   A237       2.12386   0.00000   0.00003   0.00005   0.00007   2.12393
   A238       2.12622   0.00000   0.00007  -0.00004   0.00003   2.12625
   A239       2.03246   0.00000  -0.00009   0.00000  -0.00010   2.03237
   A240       1.82980   0.00001  -0.00011   0.00019   0.00008   1.82988
   A241       2.54434   0.00000   0.00003  -0.00015  -0.00012   2.54422
   A242       1.91371   0.00000  -0.00003   0.00001  -0.00002   1.91370
   A243       1.91681   0.00000   0.00000  -0.00007  -0.00007   1.91674
   A244       1.91637   0.00000  -0.00010   0.00009   0.00000   1.91637
   A245       1.90988   0.00000   0.00006   0.00004   0.00010   1.90998
   A246       1.90837   0.00000   0.00008  -0.00004   0.00004   1.90841
   A247       1.89858   0.00000  -0.00001  -0.00005  -0.00005   1.89853
   A248       1.28225   0.00001  -0.00026  -0.00016  -0.00042   1.28183
   A249       1.90378   0.00001  -0.00009   0.00002  -0.00007   1.90371
   A250       1.90919   0.00000   0.00003   0.00002   0.00005   1.90924
   A251       1.92834   0.00000  -0.00006  -0.00002  -0.00008   1.92826
   A252       1.91111   0.00000   0.00010  -0.00001   0.00009   1.91120
   A253       1.89830   0.00000   0.00004   0.00000   0.00004   1.89834
   A254       1.91300  -0.00001  -0.00002  -0.00001  -0.00003   1.91297
   A255       1.72390   0.00000   0.00023   0.00007   0.00030   1.72420
   A256       1.76463   0.00000  -0.00018  -0.00008  -0.00027   1.76436
   A257       2.19135   0.00000   0.00003  -0.00001   0.00002   2.19137
   A258       2.12968   0.00000  -0.00003   0.00001  -0.00002   2.12966
   A259       1.96194   0.00000   0.00000  -0.00001   0.00000   1.96194
   A260       2.12527   0.00000  -0.00006   0.00003  -0.00003   2.12524
   A261       2.12272   0.00000  -0.00002   0.00000  -0.00002   2.12270
   A262       2.03492   0.00000   0.00009  -0.00004   0.00005   2.03497
   A263       1.35782   0.00001  -0.00023   0.00015  -0.00008   1.35774
   A264       1.90095   0.00001  -0.00001  -0.00002  -0.00004   1.90092
   A265       1.93107   0.00000   0.00002   0.00000   0.00002   1.93110
   A266       1.90961   0.00000   0.00000   0.00001   0.00001   1.90962
   A267       1.89688   0.00000   0.00003   0.00000   0.00002   1.89691
   A268       1.91372   0.00000  -0.00004   0.00002  -0.00002   1.91370
   A269       1.91148  -0.00001   0.00000   0.00000   0.00000   1.91148
   A270       2.67178   0.00000   0.00013   0.00003   0.00016   2.67194
   A271       1.69139   0.00000  -0.00014  -0.00005  -0.00019   1.69120
   A272       1.92488   0.00000   0.00001   0.00001   0.00002   1.92490
   A273       1.91279   0.00000  -0.00002  -0.00001  -0.00003   1.91276
   A274       1.91357   0.00000  -0.00001   0.00001   0.00000   1.91357
   A275       1.89431   0.00000   0.00002  -0.00002   0.00000   1.89432
   A276       1.91099   0.00000   0.00001   0.00000   0.00001   1.91100
   A277       1.90710   0.00000   0.00000   0.00000  -0.00001   1.90709
   A278       1.81135  -0.00002  -0.00015  -0.00014  -0.00030   1.81106
   A279       1.75054   0.00003   0.00060   0.00017   0.00077   1.75131
   A280       2.18996   0.00000  -0.00001   0.00001   0.00000   2.18995
   A281       2.13058   0.00000  -0.00005   0.00000  -0.00004   2.13054
   A282       1.96257   0.00001   0.00006  -0.00001   0.00005   1.96262
   A283       2.12276   0.00000  -0.00002  -0.00002  -0.00004   2.12272
   A284       2.11524   0.00000  -0.00002   0.00000  -0.00002   2.11522
   A285       2.04217   0.00000   0.00002   0.00002   0.00004   2.04221
   A286       2.69854   0.00000   0.00081   0.00025   0.00106   2.69959
   A287       1.66066   0.00000  -0.00080  -0.00024  -0.00104   1.65962
   A288       1.92602   0.00000   0.00014   0.00007   0.00020   1.92622
   A289       1.91534   0.00000  -0.00009  -0.00005  -0.00013   1.91520
   A290       1.91244   0.00000  -0.00006  -0.00002  -0.00008   1.91235
   A291       1.89104   0.00000   0.00002   0.00003   0.00005   1.89109
   A292       1.91238   0.00000   0.00000   0.00000   0.00000   1.91237
   A293       1.90641   0.00000   0.00000  -0.00003  -0.00003   1.90637
   A294       1.35165   0.00000   0.00000   0.00013   0.00014   1.35179
   A295       1.15303   0.00001   0.00019  -0.00009   0.00010   1.15313
   A296       1.93297   0.00000  -0.00007   0.00001  -0.00006   1.93291
   A297       1.90716   0.00000   0.00006  -0.00001   0.00006   1.90721
   A298       1.90187   0.00000   0.00007   0.00001   0.00007   1.90194
   A299       1.90937   0.00000  -0.00005  -0.00002  -0.00007   1.90930
   A300       1.89829   0.00000  -0.00002  -0.00002  -0.00004   1.89825
   A301       1.91411   0.00000   0.00001   0.00002   0.00003   1.91414
   A302       1.64644   0.00000  -0.00007   0.00000  -0.00007   1.64637
   A303       1.80662   0.00000   0.00028  -0.00023   0.00004   1.80666
   A304       2.18943  -0.00001  -0.00008  -0.00002  -0.00010   2.18933
   A305       2.13000   0.00000   0.00010  -0.00002   0.00009   2.13009
   A306       1.96339   0.00000  -0.00001   0.00003   0.00002   1.96341
   A307       2.12531   0.00001   0.00002   0.00000   0.00003   2.12534
   A308       2.12366   0.00000   0.00002   0.00002   0.00003   2.12370
   A309       2.03080  -0.00001  -0.00004  -0.00004  -0.00008   2.03072
   A310       1.30408   0.00000  -0.00074  -0.00003  -0.00077   1.30331
   A311       3.04599   0.00000   0.00078   0.00002   0.00080   3.04679
   A312       1.91173  -0.00001   0.00009   0.00005   0.00013   1.91187
   A313       1.92948   0.00000   0.00017   0.00007   0.00025   1.92973
   A314       1.90248   0.00000  -0.00019   0.00000  -0.00020   1.90228
   A315       1.91154   0.00000  -0.00013  -0.00006  -0.00019   1.91134
   A316       1.91165   0.00001   0.00015  -0.00006   0.00009   1.91174
   A317       1.89682   0.00000  -0.00009   0.00000  -0.00009   1.89673
   A318       1.78593   0.00000  -0.00031  -0.00019  -0.00050   1.78543
   A319       1.91576  -0.00001  -0.00003   0.00000  -0.00004   1.91573
   A320       1.91450   0.00000  -0.00012   0.00003  -0.00010   1.91440
   A321       1.92036   0.00000   0.00002   0.00000   0.00002   1.92038
   A322       1.90713   0.00000  -0.00008   0.00002  -0.00005   1.90707
   A323       1.91042   0.00000   0.00014  -0.00003   0.00012   1.91054
   A324       1.89548   0.00000   0.00007  -0.00002   0.00005   1.89553
   A325       2.93980   0.00000  -0.00010  -0.00015  -0.00025   2.93954
   A326       3.36529   0.00000   0.00039  -0.00003   0.00036   3.36565
   A327       3.08392   0.00000   0.00038  -0.00004   0.00034   3.08426
   A328       3.19525   0.00001  -0.00028  -0.00017  -0.00045   3.19480
   A329       3.26930   0.00000  -0.00023   0.00014  -0.00008   3.26922
   A330       3.26102   0.00000  -0.00005   0.00012   0.00007   3.26109
   A331       3.69636   0.00000  -0.00017  -0.00021  -0.00039   3.69597
   A332       3.21827   0.00000   0.00033   0.00019   0.00051   3.21878
   A333       2.97677  -0.00001  -0.00047  -0.00019  -0.00066   2.97612
   A334       2.90951   0.00000  -0.00037  -0.00016  -0.00053   2.90898
   A335       3.22870   0.00000  -0.00039  -0.00004  -0.00043   3.22826
   A336       3.07709   0.00000   0.00017  -0.00001   0.00017   3.07726
   A337       3.10337   0.00000   0.00017  -0.00005   0.00011   3.10348
   A338       3.04567   0.00000   0.00003  -0.00001   0.00002   3.04569
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    D2       -1.36107   0.00000   0.00014  -0.00007   0.00007  -1.36100
    D3        2.78069   0.00000   0.00001  -0.00002  -0.00001   2.78067
    D4       -1.33837   0.00000   0.00005   0.00000   0.00005  -1.33832
    D5        1.66176   0.00000   0.00003  -0.00002   0.00001   1.66177
    D6       -2.45730   0.00000   0.00008   0.00000   0.00008  -2.45722
    D7        1.84335   0.00000   0.00015   0.00001   0.00016   1.84350
    D8       -2.27571   0.00000   0.00019   0.00003   0.00022  -2.27549
    D9        0.31879  -0.00001  -0.00067  -0.00034  -0.00101   0.31778
   D10        2.48292  -0.00001  -0.00062  -0.00032  -0.00094   2.48198
   D11        0.03218   0.00000  -0.00041  -0.00026  -0.00066   0.03152
   D12        2.19631   0.00000  -0.00036  -0.00023  -0.00059   2.19572
   D13       -0.43758   0.00000  -0.00032  -0.00021  -0.00052  -0.43811
   D14        1.72655   0.00000  -0.00027  -0.00019  -0.00046   1.72609
   D15       -0.55906   0.00000  -0.00017  -0.00017  -0.00034  -0.55940
   D16        1.60507   0.00000  -0.00012  -0.00015  -0.00027   1.60480
   D17        0.21186   0.00000  -0.00022  -0.00018  -0.00040   0.21146
   D18        2.37599   0.00000  -0.00018  -0.00016  -0.00034   2.37565
   D19        0.14460   0.00000  -0.00012  -0.00015  -0.00028   0.14432
   D20        2.30873   0.00000  -0.00008  -0.00013  -0.00021   2.30852
   D21        2.39999   0.00000  -0.00022  -0.00014  -0.00037   2.39963
   D22       -1.71906   0.00000  -0.00018  -0.00012  -0.00030  -1.71936
   D23        2.15698   0.00000  -0.00031  -0.00016  -0.00048   2.15650
   D24       -1.96208   0.00000  -0.00027  -0.00014  -0.00041  -1.96249
   D25        1.71471   0.00000  -0.00034  -0.00016  -0.00050   1.71421
   D26       -2.40434   0.00000  -0.00030  -0.00014  -0.00043  -2.40478
   D27        1.40814   0.00000  -0.00039  -0.00016  -0.00055   1.40760
   D28       -2.71091   0.00000  -0.00034  -0.00014  -0.00048  -2.71139
   D29        2.36733   0.00000  -0.00042  -0.00017  -0.00059   2.36674
   D30       -1.75173   0.00000  -0.00038  -0.00014  -0.00052  -1.75225
   D31       -1.75031   0.00000   0.00018  -0.00004   0.00014  -1.75017
   D32        0.41382   0.00000   0.00023  -0.00002   0.00021   0.41402
   D33       -2.10064   0.00000   0.00022  -0.00003   0.00019  -2.10045
   D34        0.06349   0.00000   0.00026  -0.00001   0.00026   0.06374
   D35       -2.47554   0.00000   0.00016  -0.00004   0.00013  -2.47541
   D36       -0.31141   0.00000   0.00021  -0.00001   0.00019  -0.31122
   D37       -2.76491   0.00000   0.00025   0.00000   0.00025  -2.76466
   D38       -0.60079   0.00000   0.00029   0.00003   0.00032  -0.60047
   D39       -2.12669   0.00000   0.00029   0.00001   0.00030  -2.12639
   D40        0.03744   0.00000   0.00034   0.00003   0.00037   0.03781
   D41       -2.36859   0.00000   0.00027  -0.00001   0.00026  -2.36833
   D42       -0.20446   0.00000   0.00031   0.00001   0.00033  -0.20413
   D43        1.26324   0.00000   0.00013  -0.00013   0.00000   1.26324
   D44       -1.92680   0.00000   0.00009  -0.00014  -0.00004  -1.92685
   D45        2.45744   0.00000   0.00006  -0.00007  -0.00001   2.45743
   D46       -0.73260   0.00000   0.00002  -0.00008  -0.00006  -0.73266
   D47        2.94340   0.00000   0.00011  -0.00003   0.00008   2.94349
   D48       -0.24664   0.00000   0.00007  -0.00003   0.00004  -0.24660
   D49        2.87064  -0.00001  -0.00019  -0.00032  -0.00051   2.87014
   D50       -0.31940  -0.00001  -0.00022  -0.00032  -0.00055  -0.31995
   D51        2.05111  -0.00001  -0.00059  -0.00044  -0.00103   2.05008
   D52       -1.13894  -0.00001  -0.00063  -0.00044  -0.00107  -1.14001
   D53        1.15607   0.00000  -0.00067  -0.00035  -0.00101   1.15506
   D54       -2.03398   0.00000  -0.00070  -0.00035  -0.00105  -2.03503
   D55        1.01552   0.00000  -0.00020  -0.00022  -0.00042   1.01510
   D56       -2.17453   0.00000  -0.00024  -0.00022  -0.00046  -2.17499
   D57        2.02422   0.00000  -0.00016  -0.00024  -0.00041   2.02382
   D58       -1.16582   0.00000  -0.00020  -0.00025  -0.00045  -1.16627
   D59        1.82796   0.00000  -0.00006  -0.00020  -0.00027   1.82769
   D60       -1.36208   0.00000  -0.00010  -0.00021  -0.00031  -1.36239
   D61       -2.27767   0.00000  -0.00017  -0.00016  -0.00033  -2.27800
   D62        0.81547   0.00000  -0.00020  -0.00017  -0.00038   0.81510
   D63       -2.41200   0.00000  -0.00017  -0.00017  -0.00033  -2.41233
   D64        0.68115   0.00000  -0.00020  -0.00017  -0.00038   0.68077
   D65       -2.81465   0.00000  -0.00021  -0.00017  -0.00038  -2.81503
   D66        0.27850   0.00000  -0.00025  -0.00017  -0.00042   0.27807
   D67       -2.99095   0.00000  -0.00011  -0.00014  -0.00025  -2.99120
   D68        0.10219   0.00000  -0.00015  -0.00015  -0.00029   0.10190
   D69       -2.13534   0.00000  -0.00014  -0.00017  -0.00031  -2.13565
   D70        0.95780   0.00000  -0.00018  -0.00017  -0.00035   0.95745
   D71       -0.15987   0.00000   0.00021   0.00001   0.00022  -0.15964
   D72        2.93328   0.00000   0.00018   0.00000   0.00018   2.93346
   D73       -0.55833   0.00000   0.00020   0.00001   0.00021  -0.55811
   D74        2.53482   0.00000   0.00017   0.00000   0.00017   2.53499
   D75       -0.72603   0.00000   0.00016  -0.00004   0.00012  -0.72591
   D76        2.36711   0.00000   0.00013  -0.00005   0.00008   2.36719
   D77       -1.06380   0.00000   0.00012  -0.00003   0.00008  -1.06372
   D78        2.02934   0.00000   0.00008  -0.00004   0.00004   2.02938
   D79       -0.84329   0.00000   0.00020   0.00005   0.00024  -0.84305
   D80        2.24985   0.00000   0.00016   0.00004   0.00020   2.25005
   D81       -1.14638   0.00000   0.00017   0.00004   0.00022  -1.14616
   D82        1.94676   0.00000   0.00014   0.00004   0.00018   1.94694
   D83       -1.53378   0.00000  -0.00026  -0.00007  -0.00033  -1.53411
   D84       -2.60959   0.00000  -0.00032  -0.00005  -0.00037  -2.60996
   D85       -2.94800   0.00000  -0.00037  -0.00002  -0.00039  -2.94839
   D86        0.73722   0.00000  -0.00060  -0.00022  -0.00082   0.73640
   D87        0.31321   0.00000  -0.00059  -0.00024  -0.00083   0.31238
   D88       -0.06264   0.00000  -0.00071  -0.00032  -0.00102  -0.06366
   D89       -0.40071   0.00000  -0.00059  -0.00028  -0.00087  -0.40158
   D90        0.18489   0.00000  -0.00043  -0.00018  -0.00061   0.18428
   D91       -0.05386   0.00000  -0.00037  -0.00016  -0.00053  -0.05439
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   D315       1.58746   0.00000  -0.00023  -0.00010  -0.00032   1.58714
   D316      -0.32099   0.00000  -0.00006  -0.00006  -0.00013  -0.32112
   D317       1.74610   0.00000  -0.00014  -0.00008  -0.00022   1.74588
   D318       0.10621   0.00000  -0.00005  -0.00009  -0.00014   0.10607
   D319       2.17330   0.00000  -0.00013  -0.00011  -0.00024   2.17307
   D320       0.24095   0.00000  -0.00029  -0.00014  -0.00042   0.24053
   D321       2.30804   0.00000  -0.00036  -0.00015  -0.00052   2.30752
   D322      -0.56935   0.00000   0.00001  -0.00004  -0.00003  -0.56938
   D323       1.49774   0.00000  -0.00007  -0.00005  -0.00012   1.49762
   D324      -0.61500   0.00001   0.00019   0.00008   0.00027  -0.61474
   D325       1.45208   0.00001   0.00011   0.00006   0.00017   1.45226
   D326       0.09216   0.00000  -0.00023  -0.00007  -0.00029   0.09187
   D327       2.26387   0.00000  -0.00007  -0.00014  -0.00021   2.26365
   D328       0.39608   0.00000  -0.00026  -0.00007  -0.00033   0.39574
   D329       2.56778   0.00000  -0.00010  -0.00015  -0.00025   2.56752
   D330       0.76374   0.00000  -0.00015  -0.00012  -0.00027   0.76347
   D331       2.93544   0.00000   0.00001  -0.00019  -0.00019   2.93525
   D332       1.04377   0.00000  -0.00012  -0.00013  -0.00026   1.04352
   D333      -3.06771   0.00000   0.00003  -0.00021  -0.00018  -3.06789
   D334       0.32926   0.00000  -0.00034  -0.00008  -0.00042   0.32884
   D335       2.50097   0.00000  -0.00018  -0.00016  -0.00035   2.50062
   D336       0.72252   0.00000  -0.00026  -0.00014  -0.00041   0.72211
   D337       2.89422   0.00000  -0.00011  -0.00022  -0.00033   2.89389
   D338      -2.32368   0.00000  -0.00002   0.00002   0.00001  -2.32367
   D339      -0.15198   0.00000   0.00014  -0.00005   0.00009  -0.15189
   D340      -1.94782   0.00000  -0.00009   0.00000  -0.00009  -1.94791
   D341       0.22388   0.00000   0.00006  -0.00008  -0.00002   0.22387
   D342      -1.89887   0.00000  -0.00005  -0.00001  -0.00006  -1.89893
   D343       0.27283   0.00000   0.00011  -0.00009   0.00002   0.27285
   D344      -1.59945   0.00000   0.00002  -0.00002  -0.00001  -1.59945
   D345       0.57226   0.00000   0.00017  -0.00010   0.00007   0.57233
   D346      -1.58009   0.00000  -0.00021   0.00000  -0.00022  -1.58030
   D347       0.59161   0.00000  -0.00006  -0.00008  -0.00014   0.59148
   D348      -1.27969   0.00000  -0.00024  -0.00002  -0.00026  -1.27995
   D349       0.89201   0.00000  -0.00009  -0.00009  -0.00018   0.89183
   D350       1.86411   0.00000   0.00007  -0.00009  -0.00001   1.86410
   D351      -2.24737   0.00000   0.00023  -0.00016   0.00007  -2.24731
   D352       2.30277   0.00000   0.00017  -0.00004   0.00013   2.30290
   D353      -1.80871   0.00000   0.00033  -0.00012   0.00021  -1.80851
   D354       2.57051   0.00000   0.00048  -0.00003   0.00045   2.57096
   D355      -1.54098   0.00000   0.00064  -0.00011   0.00053  -1.54045
   D356      -3.08228   0.00000   0.00090   0.00015   0.00105  -3.08124
   D357      -0.91058   0.00000   0.00105   0.00007   0.00113  -0.90946
   D358       2.61823   0.00000   0.00018   0.00000   0.00018   2.61841
   D359      -1.49325   0.00000   0.00033  -0.00008   0.00026  -1.49299
   D360       1.63839   0.00000  -0.00005  -0.00002  -0.00006   1.63833
   D361      -2.47309   0.00000   0.00011  -0.00009   0.00002  -2.47308
   D362       1.81240   0.00000   0.00024  -0.00001   0.00022   1.81262
   D363      -2.29909   0.00000   0.00039  -0.00009   0.00030  -2.29878
   D364       2.75042   0.00000  -0.00005  -0.00005  -0.00010   2.75031
   D365      -1.36107   0.00000   0.00011  -0.00013  -0.00003  -1.36109
   D366       2.75137   0.00000  -0.00014  -0.00014  -0.00028   2.75109
   D367      -1.36011   0.00000   0.00002  -0.00022  -0.00020  -1.36031
   D368       0.06676   0.00000  -0.00066  -0.00020  -0.00086   0.06591
   D369      -2.39871   0.00000   0.00365   0.00115   0.00480  -2.39392
   D370       0.46606   0.00000  -0.00065  -0.00019  -0.00085   0.46521
   D371      -1.99942   0.00000   0.00366   0.00115   0.00481  -1.99461
   D372       0.67898   0.00000  -0.00057  -0.00020  -0.00077   0.67821
   D373      -1.78650   0.00000   0.00374   0.00115   0.00489  -1.78161
   D374       0.94956   0.00000  -0.00052  -0.00022  -0.00074   0.94882
   D375      -1.51592   0.00000   0.00379   0.00112   0.00492  -1.51100
   D376       0.70751   0.00000  -0.00064  -0.00022  -0.00086   0.70666
   D377      -1.75797   0.00000   0.00367   0.00113   0.00480  -1.75317
   D378       1.04889   0.00000  -0.00061  -0.00023  -0.00083   1.04806
   D379      -1.41659   0.00000   0.00370   0.00112   0.00482  -1.41177
   D380      -2.74030   0.00001   0.00000   0.00007   0.00007  -2.74022
   D381       1.07741   0.00001   0.00431   0.00142   0.00573   1.08314
   D382      -2.19521   0.00000  -0.00027   0.00004  -0.00023  -2.19544
   D383       1.62249   0.00000   0.00404   0.00138   0.00543   1.62792
   D384      -1.95828   0.00000  -0.00035  -0.00002  -0.00037  -1.95866
   D385       1.85942   0.00000   0.00395   0.00133   0.00528   1.86470
   D386      -1.62990   0.00000  -0.00040  -0.00005  -0.00046  -1.63036
   D387       2.18781   0.00000   0.00391   0.00129   0.00520   2.19300
   D388      -1.69534   0.00000  -0.00073   0.00000  -0.00073  -1.69607
   D389       2.12237   0.00000   0.00358   0.00135   0.00492   2.12729
   D390      -1.12390   0.00000  -0.00098  -0.00014  -0.00112  -1.12502
   D391       2.69381   0.00000   0.00333   0.00121   0.00454   2.69834
   D392       1.80113   0.00000  -0.00045  -0.00013  -0.00058   1.80055
   D393      -0.66435   0.00000   0.00386   0.00121   0.00507  -0.65928
   D394       2.10416   0.00000  -0.00049  -0.00014  -0.00063   2.10353
   D395      -0.36132   0.00000   0.00382   0.00120   0.00503  -0.35629
   D396       2.05831   0.00000  -0.00051  -0.00018  -0.00069   2.05762
   D397      -0.40717   0.00000   0.00380   0.00117   0.00497  -0.40220
   D398       2.26741   0.00000  -0.00015  -0.00011  -0.00025   2.26716
   D399      -0.19807   0.00000   0.00416   0.00124   0.00540  -0.19267
   D400       2.50161   0.00000  -0.00047  -0.00014  -0.00061   2.50100
   D401       0.03613   0.00000   0.00384   0.00121   0.00505   0.04118
   D402      -1.53495   0.00000  -0.00049  -0.00005  -0.00055  -1.53550
   D403       2.28276   0.00000   0.00382   0.00129   0.00511   2.28786
   D404      -2.63159   0.00000  -0.00051  -0.00008  -0.00058  -2.63218
   D405       1.18611   0.00000   0.00380   0.00127   0.00507   1.19118
   D406      -2.98019   0.00000  -0.00056  -0.00015  -0.00071  -2.98091
   D407       0.83751   0.00000   0.00374   0.00120   0.00494   0.84245
   D408       1.91525   0.00000  -0.00008   0.00001  -0.00007   1.91517
   D409       2.41364   0.00000  -0.00006  -0.00004  -0.00011   2.41353
   D410       2.64380   0.00000   0.00008  -0.00002   0.00006   2.64386
   D411       2.87630   0.00000   0.00017  -0.00004   0.00013   2.87643
   D412       2.84710   0.00000  -0.00001  -0.00021  -0.00022   2.84688
   D413      -2.93992   0.00000   0.00008  -0.00019  -0.00011  -2.94003
   D414      -0.75057   0.00000   0.00048   0.00021   0.00069  -0.74988
   D415      -0.37096   0.00000   0.00042   0.00021   0.00064  -0.37032
   D416      -0.05892   0.00000   0.00044   0.00019   0.00063  -0.05829
   D417       0.24928   0.00000   0.00040   0.00019   0.00058   0.24986
   D418      -0.23971   0.00000   0.00032   0.00023   0.00055  -0.23916
   D419       0.06936   0.00000   0.00019   0.00025   0.00044   0.06980
   D420      -2.55793   0.00000   0.00041   0.00013   0.00055  -2.55738
   D421      -2.17631   0.00000   0.00040   0.00015   0.00055  -2.17576
   D422      -1.92802   0.00000   0.00045   0.00013   0.00059  -1.92743
   D423      -1.61337   0.00000   0.00061   0.00016   0.00077  -1.61259
   D424      -1.96626   0.00000   0.00038   0.00016   0.00055  -1.96572
   D425       1.30628   0.00000   0.00013   0.00010   0.00023   1.30651
   D426       2.47144   0.00000   0.00013   0.00010   0.00024   2.47167
   D427       2.94690   0.00000   0.00031   0.00010   0.00041   2.94730
   D428      -3.07313   0.00000   0.00033  -0.00010   0.00023  -3.07291
   D429       0.02867   0.00000   0.00050  -0.00014   0.00036   0.02903
   D430       0.03970   0.00000   0.00033   0.00003   0.00036   0.04006
   D431       3.14150   0.00000   0.00050  -0.00001   0.00050  -3.14119
   D432      -0.08175  -0.00001   0.00025  -0.00026   0.00000  -0.08176
   D433       2.01745   0.00000   0.00030  -0.00024   0.00006   2.01751
   D434      -2.17881   0.00000   0.00023  -0.00027  -0.00004  -2.17885
   D435       3.09760  -0.00001   0.00009  -0.00022  -0.00013   3.09747
   D436      -1.08639   0.00000   0.00014  -0.00020  -0.00006  -1.08645
   D437       1.00054   0.00000   0.00007  -0.00024  -0.00017   1.00037
   D438      -2.37136   0.00000  -0.00084   0.00003  -0.00080  -2.37216
   D439      -0.28143   0.00001  -0.00075   0.00004  -0.00070  -0.28213
   D440       1.82599   0.00000  -0.00080   0.00004  -0.00076   1.82523
   D441       0.73242   0.00000  -0.00067   0.00000  -0.00067   0.73174
   D442       2.82235   0.00001  -0.00059   0.00001  -0.00058   2.82178
   D443      -1.35342   0.00000  -0.00063   0.00000  -0.00063  -1.35405
   D444      -0.00083  -0.00001  -0.00004   0.00002  -0.00001  -0.00084
   D445       3.11472   0.00000   0.00024   0.00003   0.00027   3.11498
   D446      -3.12075   0.00000   0.00002   0.00000   0.00003  -3.12072
   D447      -0.00521   0.00000   0.00030   0.00001   0.00031  -0.00490
   D448       2.42028   0.00000   0.00052  -0.00010   0.00043   2.42071
   D449      -1.77891   0.00000   0.00056  -0.00011   0.00045  -1.77847
   D450       0.32862  -0.00001   0.00058  -0.00011   0.00047   0.32909
   D451      -0.69650   0.00000   0.00026  -0.00010   0.00016  -0.69634
   D452       1.38749   0.00000   0.00030  -0.00012   0.00018   1.38767
   D453      -2.78817  -0.00001   0.00031  -0.00011   0.00020  -2.78797
   D454       2.05443   0.00000  -0.00029   0.00003  -0.00026   2.05417
   D455      -2.14431   0.00000  -0.00028   0.00002  -0.00026  -2.14457
   D456      -0.05112   0.00000  -0.00030   0.00001  -0.00028  -0.05140
   D457      -1.11193   0.00000  -0.00003   0.00004   0.00001  -1.11192
   D458       0.97251   0.00000  -0.00001   0.00002   0.00001   0.97252
   D459       3.06571   0.00000  -0.00003   0.00002  -0.00002   3.06569
   D460      -3.08159  -0.00002  -0.00028  -0.00016  -0.00044  -3.08203
   D461      -0.02589  -0.00002  -0.00059  -0.00013  -0.00072  -0.02661
   D462       0.07308  -0.00002  -0.00045  -0.00024  -0.00069   0.07239
   D463       3.12878  -0.00002  -0.00077  -0.00021  -0.00097   3.12780
   D464       1.93284   0.00000  -0.00117  -0.00019  -0.00137   1.93148
   D465      -2.26763   0.00000  -0.00112  -0.00014  -0.00126  -2.26890
   D466      -0.17442  -0.00001  -0.00122  -0.00022  -0.00144  -0.17586
   D467      -1.12629   0.00000  -0.00087  -0.00022  -0.00109  -1.12738
   D468       0.95642   0.00000  -0.00081  -0.00017  -0.00099   0.95543
   D469       3.04963  -0.00001  -0.00091  -0.00025  -0.00116   3.04847
   D470      -1.63642   0.00000   0.00049  -0.00021   0.00028  -1.63614
   D471       0.46811   0.00000   0.00042  -0.00023   0.00019   0.46830
   D472       2.55933   0.00001   0.00052  -0.00020   0.00031   2.55964
   D473       1.42309   0.00000   0.00018  -0.00018   0.00000   1.42309
   D474      -2.75557   0.00000   0.00012  -0.00020  -0.00008  -2.75565
   D475      -0.66435   0.00001   0.00021  -0.00017   0.00004  -0.66431
   D476       0.00444   0.00000   0.00006  -0.00026  -0.00021   0.00423
   D477      -3.04534   0.00000   0.00005   0.00005   0.00011  -3.04523
   D478       3.11774   0.00000   0.00025  -0.00035  -0.00010   3.11764
   D479       0.06796   0.00000   0.00024  -0.00003   0.00022   0.06818
   D480      -0.30456   0.00000  -0.00092   0.00017  -0.00076  -0.30531
   D481       1.80341   0.00000  -0.00092   0.00017  -0.00075   1.80266
   D482      -2.39588   0.00000  -0.00104   0.00021  -0.00083  -2.39671
   D483       2.74985   0.00000  -0.00092  -0.00013  -0.00105   2.74880
   D484      -1.42537   0.00000  -0.00091  -0.00013  -0.00105  -1.42642
   D485       0.65852   0.00000  -0.00104  -0.00008  -0.00112   0.65740
   D486      -0.09279   0.00000   0.00044  -0.00004   0.00040  -0.09238
   D487       2.00286   0.00000   0.00025   0.00001   0.00025   2.00311
   D488      -2.19617   0.00000   0.00027   0.00000   0.00027  -2.19590
   D489       3.13591   0.00000   0.00044   0.00026   0.00070   3.13660
   D490      -1.05164   0.00000   0.00024   0.00031   0.00055  -1.05109
   D491       1.03252   0.00000   0.00027   0.00030   0.00057   1.03308
         Item               Value     Threshold  Converged?
 Maximum Force            0.000030     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.003199     0.001800     NO 
 RMS     Displacement     0.000427     0.001200     YES
 Predicted change in Energy=-1.602577D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:11:47 2016, MaxMem=  2952790016 cpu:         9.9
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.825024   -0.586116    1.667265
      2          6           0       -2.068441    1.118446   -1.369248
      3          8           0       -2.619305    0.138861   -1.901228
      4          7           0       -0.776498    1.163856   -0.944364
      5          1           0       -2.615421    2.060767   -1.165284
      6          6           0       -0.235855    2.333708   -0.251196
      7          1           0       -0.991714    3.130935   -0.227180
      8          1           0        0.042857    2.061509    0.779680
      9          1           0        0.661922    2.697499   -0.777169
     10          6           0        0.132421    0.027307   -1.112479
     11          1           0        0.699994   -0.120502   -0.180496
     12          1           0       -0.450738   -0.876171   -1.333703
     13          1           0        0.842633    0.219483   -1.933613
     14          6           0       -2.006835   -3.996985    2.622901
     15          8           0       -2.129208   -3.844078    3.850265
     16          7           0       -2.946743   -3.686199    1.689098
     17          1           0       -1.076971   -4.395058    2.170188
     18          6           0       -4.245462   -3.119357    2.060924
     19          1           0       -4.506548   -2.324487    1.344240
     20          1           0       -5.030391   -3.893479    2.031378
     21          1           0       -4.183549   -2.698312    3.072578
     22          6           0       -2.698348   -3.872122    0.259142
     23          1           0       -3.407178   -4.605149   -0.159831
     24          1           0       -2.833847   -2.913044   -0.267402
     25          1           0       -1.669875   -4.227702    0.106085
     26          6           0        1.561885    0.376836    2.609596
     27          8           0        1.397778    1.395125    3.302642
     28          7           0        1.176666   -0.882580    2.952658
     29          1           0        2.042531    0.415300    1.612152
     30          6           0        1.477926   -2.035296    2.103027
     31          1           0        2.225498   -2.685016    2.588484
     32          1           0        0.561830   -2.624544    1.936903
     33          1           0        1.865151   -1.688010    1.135381
     34          6           0        0.535581   -1.155421    4.241534
     35          1           0        1.283488   -1.460468    4.993328
     36          1           0        0.018731   -0.251301    4.587661
     37          1           0       -0.190674   -1.971067    4.114011
     38          6           0       -4.609014    1.094777    2.908790
     39          8           0       -4.856165    1.672054    1.836120
     40          7           0       -3.538150    1.344572    3.711038
     41          1           0       -5.250809    0.279651    3.299599
     42          6           0       -2.540248    2.362837    3.371343
     43          1           0       -2.621890    2.616078    2.306246
     44          1           0       -2.691242    3.270757    3.978352
     45          1           0       -1.535827    1.963267    3.578701
     46          6           0       -3.261538    0.534537    4.897849
     47          1           0       -4.076207   -0.185769    5.054105
     48          1           0       -2.312915   -0.012529    4.761709
     49          1           0       -3.169493    1.182729    5.784117
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490730   0.000000
     3  O    3.727012   1.243399   0.000000
     4  N    3.313973   1.360773   2.315630   0.000000
     5  H    3.956520   1.108493   2.057996   2.057885   0.000000
     6  C    3.838141   2.466834   3.636041   1.463328   2.563667
     7  H    4.254386   2.552209   3.795260   2.104774   2.159102
     8  H    3.359570   3.156713   4.239215   2.109372   3.293831
     9  H    4.789811   3.209181   4.310056   2.109281   3.361106
    10  C    3.454687   2.469880   2.864710   1.464971   3.418827
    11  H    3.163342   3.257660   3.747790   2.100737   4.088974
    12  H    3.313397   2.568409   2.460703   2.102241   3.652372
    13  H    4.553209   3.098547   3.463028   2.119443   3.992341
    14  C    3.546875   6.489121   6.160202   6.393231   7.170571
    15  O    3.933488   7.202336   7.013107   7.063830   7.762688
    16  N    3.296853   5.762769   5.256304   5.930271   6.425331
    17  H    3.914148   6.626413   6.285829   6.379047   7.427642
    18  C    3.525733   5.870645   5.381358   6.277848   6.316576
    19  H    3.211985   5.016091   4.490304   5.596384   5.394861
    20  H    4.620130   6.742165   6.126866   7.247571   7.176612
    21  H    3.463945   6.226648   5.935921   6.531475   6.562570
    22  C    3.680127   5.287174   4.556471   5.522953   6.102052
    23  H    4.689789   6.001204   5.114571   6.388849   6.787654
    24  H    3.189867   4.248862   3.468363   4.616501   5.058922
    25  H    3.965162   5.560284   4.898734   5.565112   6.485004
    26  C    3.645054   5.436953   6.155203   4.326439   5.876669
    27  O    4.121435   5.823897   6.692938   4.776822   6.042451
    28  N    3.278760   5.763132   6.246034   4.815551   6.324607
    29  H    3.995480   5.126719   5.844055   3.878536   5.667295
    30  C    3.633110   5.880433   6.127668   4.960201   6.649442
    31  H    4.654112   6.969066   7.183586   6.025514   7.749047
    32  H    3.150391   5.644372   5.699761   4.944168   6.455279
    33  H    3.887733   5.442657   5.715663   4.408718   6.278687
    34  C    3.538846   6.590317   7.025810   5.830450   7.036076
    35  H    4.635734   7.639934   8.082360   6.810786   8.095004
    36  H    3.469906   6.458890   7.015493   5.765272   6.736527
    37  H    3.252038   6.567893   6.821520   5.979807   7.071494
    38  C    3.481004   4.975608   5.292352   5.435048   4.637416
    39  O    3.783604   4.283955   4.617574   4.963168   3.765695
    40  N    3.292319   5.293438   5.813394   5.415916   5.014268
    41  H    3.892309   5.712196   5.830372   6.229968   5.482046
    42  C    3.480194   4.923851   5.722964   4.813907   4.547294
    43  H    3.361152   4.007301   4.882565   4.010098   3.515670
    44  H    4.578966   5.798029   6.662087   5.686687   5.284583
    45  H    3.199465   5.047732   5.876394   4.655509   4.866254
    46  C    3.708922   6.406319   6.840794   6.379884   6.285573
    47  H    4.086415   6.855040   7.113692   6.977908   6.772121
    48  H    3.184748   6.239191   6.671695   6.025258   6.286439
    49  H    4.678127   7.237891   7.775403   7.141375   7.026530
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098850   0.000000
     8  H    1.102033   1.796601   0.000000
     9  H    1.102268   1.795792   1.792066   0.000000
    10  C    2.489361   3.417593   2.779616   2.742759   0.000000
    11  H    2.627538   3.665501   2.472840   2.880728   1.101171
    12  H    3.394307   4.192130   3.652395   3.784027   1.097857
    13  H    2.909228   3.841002   3.375598   2.740544   1.102540
    14  C    7.174572   7.743428   6.656129   7.968617   5.892743
    15  O    7.653222   8.159060   7.001594   8.485032   6.688155
    16  N    6.881346   7.346262   6.542239   7.736700   5.578549
    17  H    7.200476   7.899064   6.698865   7.874962   5.638781
    18  C    7.152535   7.408673   6.846359   8.122376   6.256024
    19  H    6.517899   6.677203   6.344508   7.512243   5.752081
    20  H    8.183860   8.411562   7.922530   9.150483   7.204931
    21  H    7.207842   7.419995   6.765780   8.210597   6.600856
    22  C    6.696016   7.224397   6.556915   7.451528   5.010005
    23  H    7.629769   8.104690   7.565035   8.382562   5.907279
    24  H    5.854761   6.318604   5.841060   6.630117   4.261287
    25  H    6.725784   7.397331   6.552966   7.360423   4.778941
    26  C    3.904529   4.706722   2.914476   4.203045   4.002422
    27  O    4.022370   4.602429   2.940275   4.345402   4.792217
    28  N    4.754408   5.560714   3.830799   5.195530   4.294610
    29  H    3.513317   4.468161   2.720609   3.580973   3.350026
    30  C    5.250486   6.182146   4.538115   5.600066   4.050209
    31  H    6.269739   7.218290   5.528580   6.537879   5.043292
    32  H    5.477986   6.342105   4.854646   5.974976   4.063919
    33  H    4.744580   5.765457   4.184039   4.933386   3.316255
    34  C    5.740536   6.377687   4.751406   6.328375   5.497894
    35  H    6.649000   7.315137   5.630126   7.139585   6.388999
    36  H    5.491960   5.970194   4.455378   6.155527   5.708077
    37  H    6.130918   6.746705   5.237745   6.815135   5.604827
    38  C    5.535791   5.202413   5.206494   6.628557   6.308035
    39  O    5.112919   4.617307   5.026744   6.191131   6.023738
    40  N    5.251937   5.018465   4.682998   6.294046   6.202789
    41  H    6.478971   6.221566   6.127635   7.578022   6.964860
    42  C    4.293467   3.992154   3.671505   5.251289   5.718612
    43  H    3.509046   3.056271   3.120710   4.505274   5.096631
    44  H    4.979564   4.538110   4.378251   5.846992   6.664053
    45  H    4.061436   4.017989   3.215030   4.933843   5.342112
    46  C    6.237342   6.177321   5.496361   7.230336   6.921002
    47  H    7.017285   6.957485   6.347256   8.047786   7.468916
    48  H    5.911702   6.042843   5.070291   6.846391   6.362966
    49  H    6.808523   6.683855   6.011309   7.747563   7.733089
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795858   0.000000
    13  H    1.791468   1.798100   0.000000
    14  C    5.496643   5.274053   6.830806   0.000000
    15  O    6.173851   6.204776   7.667960   1.242890   0.000000
    16  N    5.432151   4.823237   6.537413   1.360884   2.316016
    17  H    5.191835   5.005195   6.466843   1.108178   2.057532
    18  C    6.202792   5.563748   7.279622   2.469312   2.864523
    19  H    5.855804   5.071349   6.769774   3.268148   3.773733
    20  H    7.208679   6.434371   8.193292   3.082613   3.424566
    21  H    6.409102   6.055525   7.670593   2.574266   2.477477
    22  C    5.081010   4.069966   5.838489   2.465996   3.636051
    23  H    6.081229   4.901406   6.669653   3.174023   4.277067
    24  H    4.504872   3.311352   5.109354   3.195736   4.280014
    25  H    4.750527   3.846042   5.500048   2.549733   3.791707
    26  C    2.962232   4.601118   4.602482   5.645020   5.742782
    27  O    3.862160   5.483748   5.395247   6.413134   6.339462
    28  N    3.259545   4.584907   5.020136   4.465752   4.528242
    29  H    2.302842   4.069687   3.748407   6.073487   6.368270
    30  C    3.079950   4.107849   4.667129   4.032624   4.397266
    31  H    4.070768   5.081113   5.549576   4.431150   4.679635
    32  H    3.282178   3.844342   4.811261   2.992028   3.519930
    33  H    2.355039   3.481207   3.755370   4.747248   5.289057
    34  C    4.544496   5.668692   6.333805   4.142263   3.805663
    35  H    5.376284   6.586369   7.141366   4.783207   4.316791
    36  H    4.818356   5.972723   6.589953   4.689707   4.250347
    37  H    4.760322   5.562734   6.514598   3.102611   2.708441
    38  C    6.261482   6.258965   7.344077   5.725304   5.606078
    39  O    6.176641   5.995750   6.985496   6.393412   6.474627
    40  N    5.937368   6.317691   7.233200   5.662261   5.378345
    41  H    6.905305   6.770827   8.032445   5.410259   5.201228
    42  C    5.411257   6.082325   6.646835   6.425888   6.238920
    43  H    4.970681   5.491715   5.976872   6.649148   6.660357
    44  H    6.348002   7.101746   7.533251   7.424671   7.138149
    45  H    4.844848   5.776811   6.251677   6.054751   5.843895
    46  C    6.473978   6.980181   7.975735   5.223443   4.642399
    47  H    7.086424   7.377314   8.554965   4.971762   4.315468
    48  H    5.789185   6.431767   7.405313   4.532557   3.942746
    49  H    7.228274   7.892658   8.751477   6.178551   5.485505
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056691   0.000000
    18  C    1.465003   3.417409   0.000000
    19  H    2.099090   4.090410   1.101644   0.000000
    20  H    2.121723   3.987528   1.102838   1.791174   0.000000
    21  H    2.102291   3.652955   1.097523   1.797562   1.797127
    22  C    1.463230   2.560160   2.491311   2.615760   2.929112
    23  H    2.115422   3.301968   2.800366   2.944871   2.818278
    24  H    2.106752   3.350347   2.730626   2.396188   3.327228
    25  H    2.104650   2.154081   3.418110   3.633452   3.887355
    26  C    6.138672   5.470613   6.800712   6.761964   7.875788
    27  O    6.877371   6.397894   7.332705   7.247891   8.420618
    28  N    5.143866   4.246014   5.932776   6.079887   6.960016
    29  H    6.459185   5.760403   7.227313   7.104129   8.292621
    30  C    4.740729   3.478575   5.825300   6.039314   6.768764
    31  H    5.344468   3.742394   6.506942   6.855550   7.376902
    32  H    3.674045   2.423801   4.834282   5.111726   5.735160
    33  H    5.239626   4.129772   6.343893   6.406815   7.294889
    34  C    5.004633   4.169658   5.609856   5.931619   6.584968
    35  H    5.810909   4.706772   6.474581   6.898325   7.386323
    36  H    5.384629   4.920921   5.726560   5.941047   6.730058
    37  H    4.051888   3.231053   4.687755   5.140361   5.608555
    38  C    5.206584   6.569562   4.313928   3.761606   5.082333
    39  O    5.690200   7.155680   4.835402   4.041846   5.571681
    40  N    5.454050   6.432338   4.811427   4.472307   5.699581
    41  H    4.861111   6.367841   3.754770   3.340493   4.367148
    42  C    6.291742   7.018055   5.888922   5.472339   6.865698
    43  H    6.340749   7.180621   5.965851   5.374623   6.946277
    44  H    7.328383   8.039903   6.850233   6.445203   7.783868
    45  H    6.121907   6.528610   5.956411   5.674754   6.993401
    46  C    5.311288   6.042629   4.729396   4.727812   5.563526
    47  H    4.985175   5.918657   4.194487   4.303767   4.877956
    48  H    4.830996   5.239284   4.547676   4.672930   5.468195
    49  H    6.365945   6.967843   5.790321   5.813844   6.581328
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391028   0.000000
    23  H    3.832395   1.102410   0.000000
    24  H    3.608777   1.102470   1.789832   0.000000
    25  H    4.178239   1.098918   1.797609   1.795174   0.000000
    26  C    6.533062   6.459710   7.561844   6.198620   6.157403
    27  O    6.925342   7.333828   8.430872   7.015140   7.158538
    28  N    5.660668   5.586422   6.675083   5.529537   5.234082
    29  H    7.112770   6.533648   7.618672   6.195940   6.132510
    30  C    5.782034   4.920884   5.965644   4.998076   4.324705
    31  H    6.427317   5.574882   6.554935   5.814211   4.869920
    32  H    4.879941   3.872995   4.906334   4.058672   3.301897
    33  H    6.431191   5.134555   6.163175   5.054611   4.472795
    34  C    5.100702   5.805016   6.842367   5.896846   5.604007
    35  H    5.925372   6.639548   7.645025   6.836498   6.345478
    36  H    5.093378   6.263301   7.295994   6.228460   6.224764
    37  H    4.190050   4.976188   5.962383   5.202928   4.831554
    38  C    3.820389   5.944860   6.584072   5.413136   6.694959
    39  O    4.591442   6.154748   6.744380   5.434859   6.924781
    40  N    4.143559   6.311478   7.099294   5.869525   6.894663
    41  H    3.171568   5.744272   6.263219   5.362696   6.583150
    42  C    5.329627   6.970330   7.859618   6.415729   7.406394
    43  H    5.591850   6.803912   7.671006   6.102440   7.251508
    44  H    6.219099   8.053154   8.925638   7.502410   8.500855
    45  H    5.384878   6.813420   7.786056   6.344744   7.099658
    46  C    3.825314   6.422882   7.212330   6.224833   6.940700
    47  H    3.201693   6.203173   6.867580   6.107366   6.827193
    48  H    3.683186   5.942905   6.819907   5.828920   6.313163
    49  H    4.841821   7.503255   8.299792   7.314977   7.985090
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242641   0.000000
    28  N    1.360960   2.315020   0.000000
    29  H    1.107878   2.057552   2.056981   0.000000
    30  C    2.466179   3.635009   1.463347   2.562257   0.000000
    31  H    3.133012   4.224062   2.116943   3.255559   1.103027
    32  H    3.234332   4.326868   2.108131   3.396850   1.101835
    33  H    2.555165   3.797523   2.103622   2.163953   1.098585
    34  C    2.462586   2.851348   1.465140   3.413461   2.497079
    35  H    3.022477   3.320526   2.123605   3.940432   2.953315
    36  H    2.586237   2.502751   2.100610   3.659751   3.388996
    37  H    3.293535   3.809560   2.098371   4.115975   2.613887
    38  C    6.219723   6.027179   6.114406   6.810728   6.891839
    39  O    6.592968   6.429556   6.645891   7.015811   7.344140
    40  N    5.306604   4.953052   5.269234   6.034308   6.258612
    41  H    6.848238   6.741513   6.540916   7.487236   7.215722
    42  C    4.620818   4.055766   4.952119   5.281053   6.090806
    43  H    4.755020   4.317553   5.204564   5.204039   6.203634
    44  H    5.323285   4.549139   5.767406   6.013414   7.003785
    45  H    3.612721   3.000839   3.981004   4.366711   5.220041
    46  C    5.341009   4.999452   5.048726   6.240446   6.072691
    47  H    6.170918   5.960819   5.700377   7.046083   6.555761
    48  H    4.449413   4.228429   4.025771   5.391907   5.052786
    49  H    5.754389   5.202191   5.583167   6.720077   6.745710
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787737   0.000000
    33  H    1.798716   1.793928   0.000000
    34  C    2.815680   2.733191   3.420467   0.000000
    35  H    2.858352   3.349267   3.908178   1.103454   0.000000
    36  H    3.845712   3.599133   4.170328   1.097438   1.796179
    37  H    2.945308   2.394388   3.630258   1.099539   1.790827
    38  C    7.816648   6.443256   7.266615   5.771175   6.752493
    39  O    8.348657   6.915604   7.546997   6.546111   7.581293
    40  N    7.121611   5.975891   6.710158   4.809020   5.723697
    41  H    8.074039   6.639132   7.693661   6.035643   6.970924
    42  C    6.986131   6.046030   6.388774   4.753536   5.645304
    43  H    7.188772   6.143013   6.326899   5.285753   6.252250
    44  H    7.847121   7.035948   7.309759   5.483859   6.262041
    45  H    6.060910   5.305061   5.555924   3.802144   4.655284
    46  C    6.768031   5.776256   6.736380   4.207710   4.964516
    47  H    7.213668   6.097209   7.274123   4.782164   5.509527
    48  H    5.697569   4.802740   5.780461   3.112992   3.883850
    49  H    7.367323   6.574127   7.429639   4.644791   5.238405
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796048   0.000000
    38  C    5.103584   5.511233   0.000000
    39  O    5.919028   6.342549   1.242961   0.000000
    40  N    3.995833   4.728789   1.361158   2.315109   0.000000
    41  H    5.450603   5.597675   1.108631   2.058228   2.058286
    42  C    3.855065   4.985457   2.470167   2.863139   1.465627
    43  H    4.516592   5.497338   2.574117   2.470665   2.104686
    44  H    4.485544   5.809300   3.091392   3.439753   2.121060
    45  H    2.887726   4.192252   3.263056   3.761123   2.099903
    46  C    3.387318   4.040131   2.466965   3.634689   1.463281
    47  H    4.121940   4.378177   2.554616   3.796745   2.106010
    48  H    2.350294   2.959610   3.151430   4.226702   2.108751
    49  H    3.694959   4.648553   3.216747   4.320993   2.111813
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419350   0.000000
    43  H    3.654703   1.097829   0.000000
    44  H    3.994847   1.102532   1.797040   0.000000
    45  H    4.088221   1.100689   1.795784   1.790038   0.000000
    46  C    2.564482   2.488607   3.385022   2.942383   2.599903
    47  H    2.162082   3.418517   4.185226   3.875945   3.639877
    48  H    3.294595   2.761732   3.610310   3.396579   2.430461
    49  H    3.364558   2.758638   3.801309   2.801673   2.853412
                   46         47         48         49
    46  C    0.000000
    47  H    1.098609   0.000000
    48  H    1.103494   1.795747   0.000000
    49  H    1.101861   1.796617   1.791001   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143831      0.1945629      0.1847150
 Leave Link  202 at Mon Nov 14 04:11:48 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1775010638 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843255180 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9931755458 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4037
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.59D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     225
 GePol: Fraction of low-weight points (<1% of avg)   =       5.57%
 GePol: Cavity surface area                          =    467.945 Ang**2
 GePol: Cavity volume                                =    458.353 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040147815 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9891607643 Hartrees.
 Leave Link  301 at Mon Nov 14 04:11:48 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37504.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:11:49 2016, MaxMem=  2952790016 cpu:        15.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:11:49 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000336   -0.000178    0.000123
         Rot=    1.000000    0.000012    0.000008    0.000017 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:11:50 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48892107.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.07D-14 for   3880.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.95D-15 for   2431    159.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.99D-15 for   3880.
 Iteration    1 A^-1*A deviation from orthogonality  is 9.39D-11 for   1770   1681.
 E= -1013.45141366858    
 DIIS: error= 2.84D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141366858     IErMin= 1 ErrMin= 2.84D-05
 ErrMax= 2.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.47D-07 BMatP= 9.47D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=5.37D-06 MaxDP=1.60D-04              OVMax= 2.28D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.37D-06    CP:  1.00D+00
 E= -1013.45141532564     Delta-E=       -0.000001657060 Rises=F Damp=F
 DIIS: error= 3.11D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141532564     IErMin= 2 ErrMin= 3.11D-06
 ErrMax= 3.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-08 BMatP= 9.47D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-01 0.984D+00
 Coeff:      0.163D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.11D-07 MaxDP=4.68D-05 DE=-1.66D-06 OVMax= 6.90D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.94D-07    CP:  1.00D+00  9.74D-01
 E= -1013.45141529326     Delta-E=        0.000000032379 Rises=F Damp=F
 DIIS: error= 8.97D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141532564     IErMin= 2 ErrMin= 3.11D-06
 ErrMax= 8.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.15D-08 BMatP= 1.16D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.242D-02 0.691D+00 0.307D+00
 Coeff:      0.242D-02 0.691D+00 0.307D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.57D-07 MaxDP=4.17D-05 DE= 3.24D-08 OVMax= 6.60D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.05D-07    CP:  1.00D+00  9.83D-01  3.56D-01
 E= -1013.45141533378     Delta-E=       -0.000000040520 Rises=F Damp=F
 DIIS: error= 2.17D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141533378     IErMin= 4 ErrMin= 2.17D-06
 ErrMax= 2.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-09 BMatP= 1.16D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-03 0.295D+00 0.203D+00 0.501D+00
 Coeff:      0.127D-03 0.295D+00 0.203D+00 0.501D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.65D-07 MaxDP=8.86D-06 DE=-4.05D-08 OVMax= 1.75D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.75D-08    CP:  1.00D+00  9.85D-01  4.00D-01  5.88D-01
 E= -1013.45141533582     Delta-E=       -0.000000002035 Rises=F Damp=F
 DIIS: error= 1.02D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141533582     IErMin= 5 ErrMin= 1.02D-06
 ErrMax= 1.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.39D-10 BMatP= 2.70D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.179D-05 0.140D+00 0.112D+00 0.351D+00 0.397D+00
 Coeff:      0.179D-05 0.140D+00 0.112D+00 0.351D+00 0.397D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.04D-08 MaxDP=3.75D-06 DE=-2.03D-09 OVMax= 4.15D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.09D-08    CP:  1.00D+00  9.85D-01  3.93D-01  6.12D-01  6.05D-01
 E= -1013.45141533623     Delta-E=       -0.000000000419 Rises=F Damp=F
 DIIS: error= 5.68D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141533623     IErMin= 6 ErrMin= 5.68D-08
 ErrMax= 5.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.79D-12 BMatP= 4.39D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.206D-04 0.425D-01 0.360D-01 0.118D+00 0.161D+00 0.643D+00
 Coeff:     -0.206D-04 0.425D-01 0.360D-01 0.118D+00 0.161D+00 0.643D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.30D-09 MaxDP=3.10D-07 DE=-4.19D-10 OVMax= 4.29D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141534     A.U. after    6 cycles
            NFock=  6  Conv=0.83D-08     -V/T= 2.0213
 KE= 9.923505586634D+02 PE=-6.029522951791D+03 EE= 2.174731817027D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:13:11 2016, MaxMem=  2952790016 cpu:       898.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37504.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:13:20 2016, MaxMem=  2952790016 cpu:        99.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:13:20 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:13:57 2016, MaxMem=  2952790016 cpu:       441.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.25215713D+00-2.53874528D+00 3.31801176D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000096281   -0.000065495    0.000025831
      2        6           0.000021663    0.000030926    0.000002488
      3        8           0.000018473    0.000028535   -0.000000522
      4        7           0.000033719    0.000052563    0.000019309
      5        1           0.000005999    0.000015418    0.000031533
      6        6          -0.000032874   -0.000014350    0.000006351
      7        1           0.000012179    0.000026668    0.000029654
      8        1          -0.000010018    0.000024337    0.000027228
      9        1           0.000015041    0.000032628    0.000050188
     10        6          -0.000011630    0.000061679    0.000031215
     11        1           0.000011749    0.000013282    0.000013859
     12        1           0.000027876    0.000030026   -0.000013165
     13        1           0.000027608    0.000037477    0.000024086
     14        6          -0.000015802   -0.000006926   -0.000036570
     15        8          -0.000004179   -0.000010854   -0.000029431
     16        7           0.000001297   -0.000001821   -0.000026395
     17        1           0.000006078   -0.000004244   -0.000027472
     18        6           0.000019486    0.000003255   -0.000065129
     19        1           0.000004942    0.000000412   -0.000043474
     20        1           0.000004827   -0.000008718   -0.000051389
     21        1          -0.000016401   -0.000026807   -0.000028682
     22        6           0.000007655    0.000001358   -0.000009418
     23        1           0.000019850    0.000020185   -0.000057058
     24        1           0.000015558    0.000019068   -0.000031217
     25        1           0.000018023    0.000012992   -0.000032548
     26        6           0.000010058   -0.000011886    0.000013048
     27        8          -0.000029716   -0.000000671    0.000027681
     28        7           0.000000098   -0.000020341    0.000013144
     29        1           0.000010015    0.000011404    0.000036007
     30        6          -0.000006054    0.000004344    0.000007089
     31        1          -0.000004428    0.000000735    0.000008997
     32        1           0.000003478    0.000001764   -0.000000737
     33        1           0.000007654    0.000011115    0.000009318
     34        6          -0.000012118   -0.000011071    0.000011009
     35        1          -0.000017498   -0.000018768    0.000009912
     36        1          -0.000023431   -0.000018204    0.000003368
     37        1          -0.000008888   -0.000019197   -0.000000692
     38        6           0.000025716   -0.000011765    0.000044944
     39        8          -0.000014515    0.000007460   -0.000030142
     40        7          -0.000045714   -0.000015449   -0.000016813
     41        1          -0.000006780   -0.000023621   -0.000019344
     42        6          -0.000009144   -0.000004798    0.000015974
     43        1          -0.000007275   -0.000020359    0.000013051
     44        1          -0.000032567   -0.000033011    0.000034558
     45        1          -0.000033775   -0.000009826    0.000022157
     46        6          -0.000010676   -0.000021823   -0.000015083
     47        1          -0.000021051   -0.000030680   -0.000004649
     48        1          -0.000021957   -0.000002587    0.000002613
     49        1          -0.000028833   -0.000034361    0.000005315
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000096281 RMS     0.000024583
 Leave Link  716 at Mon Nov 14 04:13:57 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000032333 RMS     0.000003472
 Search for a local minimum.
 Step number  91 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .34719D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   62   67   68   74   75
                                                     76   77   78   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91
 DE= -3.25D-07 DEPred=-1.60D-07 R= 2.03D+00
 Trust test= 2.03D+00 RLast= 2.53D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1
 ITU=  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0
 ITU=  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00008   0.00056   0.00089   0.00104   0.00123
     Eigenvalues ---    0.00145   0.00199   0.00205   0.00227   0.00290
     Eigenvalues ---    0.00361   0.00422   0.00476   0.00542   0.00574
     Eigenvalues ---    0.00667   0.00775   0.00805   0.00818   0.00896
     Eigenvalues ---    0.00970   0.01046   0.01151   0.01194   0.01222
     Eigenvalues ---    0.01287   0.01319   0.01441   0.01508   0.01543
     Eigenvalues ---    0.01571   0.01686   0.01737   0.01787   0.01813
     Eigenvalues ---    0.01879   0.01917   0.02001   0.02055   0.02158
     Eigenvalues ---    0.02228   0.02314   0.02369   0.02594   0.02730
     Eigenvalues ---    0.02961   0.03084   0.03370   0.03602   0.04058
     Eigenvalues ---    0.04469   0.04639   0.05082   0.05396   0.05581
     Eigenvalues ---    0.05883   0.06229   0.06236   0.06313   0.06564
     Eigenvalues ---    0.06939   0.07081   0.07379   0.07504   0.07636
     Eigenvalues ---    0.07771   0.08042   0.08156   0.08198   0.08336
     Eigenvalues ---    0.08517   0.08726   0.08954   0.09058   0.09292
     Eigenvalues ---    0.09391   0.09744   0.09781   0.09874   0.10000
     Eigenvalues ---    0.10173   0.10404   0.10505   0.10840   0.10959
     Eigenvalues ---    0.11094   0.11281   0.11372   0.11567   0.13265
     Eigenvalues ---    0.13486   0.14203   0.14780   0.15149   0.15396
     Eigenvalues ---    0.15537   0.15878   0.21394   0.22558   0.23203
     Eigenvalues ---    0.23464   0.24675   0.24718   0.25915   0.26518
     Eigenvalues ---    0.26951   0.27312   0.28287   0.29259   0.29643
     Eigenvalues ---    0.29837   0.30644   0.32802   0.32823   0.32829
     Eigenvalues ---    0.32941   0.33303   0.33357   0.33361   0.33376
     Eigenvalues ---    0.33397   0.33423   0.33510   0.33547   0.33697
     Eigenvalues ---    0.33797   0.33821   0.33840   0.33920   0.33955
     Eigenvalues ---    0.34044   0.34200   0.34301   0.37293   0.38911
     Eigenvalues ---    0.39870   0.40841   0.85956   0.86137   0.86468
     Eigenvalues ---    0.89935
 Eigenvalue     1 is   7.51D-05 Eigenvector:
                         D399      D381      D397      D395      D407
   1                   -0.23595  -0.22779  -0.22558  -0.21929  -0.21894
                         D405      D383      D403      D401      D393
   1                   -0.21830  -0.21774  -0.21661  -0.21654  -0.21652
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    91   90   89   88   87
 RFO step:  Lambda=-3.30109637D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  7.18D-07 SmlDif=  1.00D-05
 RMS Error=  0.1839679778D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.04913   -1.04810   -0.44197    0.61650   -0.17555
 Iteration  1 RMS(Cart)=  0.00037110 RMS(Int)=  0.00000156
 Iteration  2 RMS(Cart)=  0.00000127 RMS(Int)=  0.00000024
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000024
 ITry= 1 IFail=0 DXMaxC= 3.46D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59652   0.00000  -0.00032   0.00008  -0.00024   6.59628
    R2        6.26250   0.00001  -0.00028   0.00018  -0.00010   6.26240
    R3        7.25303  -0.00001  -0.00015  -0.00033  -0.00048   7.25255
    R4        6.34867   0.00000   0.00001  -0.00078  -0.00076   6.34790
    R5        6.52841   0.00000   0.00002   0.00020   0.00022   6.52863
    R6        5.97785   0.00000   0.00043   0.00004   0.00047   5.97832
    R7        6.70262   0.00000   0.00043   0.00009   0.00052   6.70314
    R8        6.23015   0.00000   0.00042   0.00002   0.00044   6.23059
    R9        6.66267   0.00000   0.00094  -0.00004   0.00090   6.66357
   R10        6.06977   0.00000   0.00086   0.00009   0.00095   6.07072
   R11        6.95443   0.00000   0.00018   0.00000   0.00018   6.95461
   R12        6.02798   0.00000   0.00005   0.00004   0.00008   6.02806
   R13        6.88815   0.00000   0.00003   0.00023   0.00026   6.88842
   R14        6.19596   0.00000  -0.00046   0.00010  -0.00036   6.19559
   R15        6.86558   0.00001  -0.00038  -0.00001  -0.00039   6.86520
   R16        5.95338   0.00000   0.00031   0.00002   0.00032   5.95370
   R17        6.68745  -0.00001  -0.00061  -0.00019  -0.00079   6.68666
   R18        6.57814   0.00000   0.00012   0.00008   0.00020   6.57834
   R19        6.22158   0.00000   0.00029   0.00003   0.00033   6.22191
   R20        6.57661   0.00000   0.00009  -0.00009   0.00000   6.57661
   R21        6.04611   0.00000   0.00081   0.00006   0.00087   6.04698
   R22        7.00885   0.00000   0.00040   0.00014   0.00053   7.00938
   R23        6.01830   0.00001   0.00046   0.00005   0.00051   6.01881
   R24        2.34968   0.00000   0.00001   0.00000   0.00001   2.34969
   R25        2.57149   0.00000  -0.00003   0.00004   0.00000   2.57149
   R26        2.09475   0.00000   0.00000  -0.00001  -0.00001   2.09474
   R27        2.76529  -0.00002  -0.00003  -0.00001  -0.00004   2.76525
   R28        2.76839  -0.00001   0.00001   0.00001   0.00001   2.76841
   R29        2.07653   0.00000   0.00000   0.00000   0.00000   2.07653
   R30        2.08254   0.00000   0.00003  -0.00003   0.00000   2.08254
   R31        2.08298   0.00000   0.00002  -0.00001   0.00001   2.08299
   R32        2.08091   0.00000  -0.00001   0.00002   0.00001   2.08092
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07465
   R34        2.08350   0.00000   0.00001   0.00000   0.00001   2.08351
   R35        2.34872   0.00000   0.00000   0.00000   0.00000   2.34872
   R36        2.57170   0.00000  -0.00003   0.00000  -0.00003   2.57167
   R37        2.09415   0.00000   0.00001   0.00000   0.00001   2.09416
   R38        2.76845  -0.00001  -0.00008   0.00000  -0.00008   2.76838
   R39        2.76510   0.00000  -0.00003   0.00000  -0.00004   2.76507
   R40        2.08181   0.00000  -0.00003  -0.00001  -0.00004   2.08177
   R41        2.08406   0.00000   0.00001   0.00000   0.00001   2.08407
   R42        2.07402   0.00000   0.00001  -0.00001   0.00000   2.07402
   R43        2.08325   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08337   0.00000   0.00000  -0.00001  -0.00001   2.08335
   R45        2.07665   0.00000   0.00000   0.00000   0.00000   2.07665
   R46        2.34825   0.00000   0.00001   0.00000   0.00001   2.34827
   R47        2.57184   0.00001  -0.00002   0.00002   0.00000   2.57184
   R48        2.09359   0.00000  -0.00001   0.00000  -0.00001   2.09358
   R49        2.76532  -0.00001   0.00001   0.00000   0.00001   2.76533
   R50        2.76871   0.00000   0.00003   0.00001   0.00004   2.76875
   R51        2.08442   0.00000   0.00001  -0.00001   0.00000   2.08442
   R52        2.08217   0.00000   0.00000   0.00002   0.00002   2.08219
   R53        2.07603   0.00000  -0.00001   0.00000   0.00000   2.07602
   R54        2.08523   0.00000   0.00001  -0.00001   0.00001   2.08523
   R55        2.07386   0.00000   0.00000   0.00000   0.00001   2.07387
   R56        2.07783   0.00000  -0.00002   0.00000  -0.00002   2.07781
   R57        2.34886   0.00003   0.00003  -0.00001   0.00002   2.34888
   R58        2.57222  -0.00003  -0.00008  -0.00001  -0.00009   2.57212
   R59        2.09501   0.00000   0.00000  -0.00001  -0.00001   2.09500
   R60        2.76963  -0.00001  -0.00007   0.00001  -0.00006   2.76957
   R61        2.76520   0.00000   0.00004  -0.00001   0.00003   2.76523
   R62        2.07460   0.00000   0.00000   0.00000   0.00000   2.07460
   R63        2.08348   0.00000   0.00002  -0.00001   0.00001   2.08349
   R64        2.08000  -0.00001  -0.00005   0.00002  -0.00003   2.07997
   R65        2.07607   0.00000   0.00000  -0.00001   0.00000   2.07607
   R66        2.08530  -0.00001  -0.00001  -0.00001  -0.00002   2.08528
   R67        2.08221   0.00000  -0.00002   0.00001  -0.00001   2.08221
    A1        0.68026   0.00000   0.00003   0.00001   0.00004   0.68031
    A2        0.95712   0.00000   0.00005   0.00000   0.00005   0.95717
    A3        0.72707   0.00000   0.00002  -0.00001   0.00001   0.72708
    A4        1.01887   0.00000   0.00002   0.00000   0.00001   1.01889
    A5        2.34673   0.00000   0.00004   0.00000   0.00004   2.34678
    A6        2.02773   0.00000  -0.00007  -0.00007  -0.00014   2.02759
    A7        1.98243   0.00000  -0.00027  -0.00018  -0.00045   1.98198
    A8        1.68966   0.00000  -0.00025  -0.00021  -0.00046   1.68919
    A9        1.65753   0.00000   0.00003  -0.00002   0.00000   1.65753
   A10        1.37614   0.00000   0.00002  -0.00003  -0.00002   1.37612
   A11        1.73217   0.00000   0.00019   0.00008   0.00027   1.73244
   A12        2.03646   0.00000   0.00015   0.00008   0.00023   2.03669
   A13        1.94175   0.00000   0.00005   0.00009   0.00013   1.94189
   A14        2.03001   0.00000   0.00018   0.00011   0.00029   2.03030
   A15        2.43081   0.00000   0.00021   0.00008   0.00029   2.43109
   A16        1.58948   0.00000  -0.00023   0.00004  -0.00019   1.58929
   A17        1.78990   0.00000  -0.00020   0.00006  -0.00015   1.78975
   A18        1.56863   0.00000  -0.00010   0.00006  -0.00004   1.56859
   A19        1.70812   0.00000   0.00012   0.00011   0.00022   1.70835
   A20        2.19338   0.00000  -0.00022   0.00005  -0.00018   2.19321
   A21        2.41371  -0.00001  -0.00024   0.00005  -0.00018   2.41352
   A22        0.64305   0.00000   0.00000   0.00004   0.00004   0.64309
   A23        0.65901   0.00000   0.00000   0.00000   0.00000   0.65901
   A24        2.39847   0.00000   0.00034   0.00011   0.00045   2.39891
   A25        2.22611   0.00000   0.00013  -0.00001   0.00011   2.22623
   A26        2.32486   0.00000  -0.00017  -0.00015  -0.00032   2.32455
   A27        2.06086   0.00000  -0.00019  -0.00021  -0.00040   2.06046
   A28        1.81837   0.00000   0.00015  -0.00001   0.00014   1.81851
   A29        1.57810   0.00000   0.00010  -0.00004   0.00007   1.57817
   A30        1.33897   0.00000   0.00016   0.00007   0.00023   1.33919
   A31        1.63789   0.00000   0.00014   0.00009   0.00023   1.63811
   A32        1.58831   0.00000   0.00010   0.00011   0.00021   1.58852
   A33        1.74103   0.00000   0.00026   0.00015   0.00041   1.74144
   A34        2.03439   0.00000   0.00018   0.00008   0.00026   2.03464
   A35        1.85368   0.00000  -0.00021   0.00004  -0.00017   1.85351
   A36        1.92216   0.00000  -0.00016   0.00006  -0.00010   1.92205
   A37        1.57424   0.00000  -0.00008   0.00006  -0.00002   1.57422
   A38        1.59224   0.00000   0.00016   0.00011   0.00026   1.59250
   A39        2.27762  -0.00001  -0.00015   0.00005  -0.00010   2.27752
   A40        2.37328  -0.00001  -0.00014   0.00007  -0.00007   2.37321
   A41        0.68902   0.00000  -0.00002   0.00003   0.00001   0.68903
   A42        0.74596   0.00000  -0.00005   0.00005   0.00000   0.74596
   A43        2.66261   0.00000   0.00048   0.00020   0.00069   2.66330
   A44        2.60513   0.00000   0.00017   0.00004   0.00020   2.60533
   A45        2.66084   0.00000  -0.00026  -0.00017  -0.00044   2.66040
   A46        2.35621   0.00000  -0.00026  -0.00021  -0.00046   2.35575
   A47        2.19724   0.00000   0.00017   0.00003   0.00020   2.19744
   A48        1.96355   0.00000   0.00010   0.00000   0.00010   1.96365
   A49        1.09677   0.00000   0.00021   0.00012   0.00033   1.09710
   A50        1.45623   0.00000   0.00020   0.00013   0.00033   1.45656
   A51        1.55777   0.00000   0.00017   0.00018   0.00035   1.55813
   A52        1.79396   0.00000   0.00031   0.00022   0.00053   1.79448
   A53        1.78216   0.00000   0.00022   0.00009   0.00030   1.78246
   A54        1.71335   0.00000  -0.00014   0.00000  -0.00014   1.71321
   A55        1.65050   0.00000  -0.00010   0.00002  -0.00008   1.65042
   A56        1.25058   0.00000  -0.00005   0.00002  -0.00003   1.25054
   A57        1.21858   0.00000   0.00017   0.00007   0.00024   1.21882
   A58        1.94538   0.00000  -0.00009   0.00001  -0.00008   1.94530
   A59        1.99554   0.00000  -0.00012   0.00004  -0.00008   1.99546
   A60        0.83990   0.00000  -0.00007   0.00009   0.00003   0.83992
   A61        0.77543   0.00000  -0.00012   0.00015   0.00003   0.77546
   A62        2.60128   0.00001   0.00044   0.00031   0.00074   2.60202
   A63        2.77060   0.00000   0.00028   0.00019   0.00047   2.77107
   A64        2.61419   0.00000  -0.00023  -0.00026  -0.00049   2.61370
   A65        2.39578   0.00000   0.00018   0.00011   0.00029   2.39607
   A66        2.20246   0.00000   0.00010   0.00004   0.00014   2.20260
   A67        0.85462   0.00000   0.00018   0.00021   0.00039   0.85501
   A68        1.23007   0.00000   0.00016   0.00022   0.00038   1.23045
   A69        1.41069   0.00001   0.00014   0.00029   0.00043   1.41112
   A70        1.68232   0.00000   0.00025   0.00032   0.00057   1.68290
   A71        1.51886   0.00000   0.00018   0.00014   0.00032   1.51918
   A72        1.72981   0.00000  -0.00001  -0.00011  -0.00012   1.72969
   A73        1.56195   0.00000   0.00002  -0.00008  -0.00006   1.56190
   A74        1.13276   0.00000   0.00005  -0.00008  -0.00003   1.13273
   A75        1.02350   0.00000   0.00023  -0.00001   0.00022   1.02373
   A76        1.77966   0.00000   0.00001  -0.00006  -0.00005   1.77961
   A77        1.77210   0.00000  -0.00004  -0.00001  -0.00005   1.77204
   A78        2.00049   0.00001   0.00043   0.00015   0.00058   2.00106
   A79        1.94451   0.00001   0.00029   0.00005   0.00034   1.94485
   A80        2.22232   0.00000   0.00008  -0.00005   0.00003   2.22234
   A81        2.08083   0.00000  -0.00001  -0.00016  -0.00018   2.08066
   A82        1.55593   0.00001   0.00025   0.00002   0.00027   1.55620
   A83        1.39053   0.00000   0.00018  -0.00002   0.00016   1.39069
   A84        1.19676   0.00000   0.00002  -0.00001   0.00001   1.19677
   A85        1.38246   0.00000   0.00002   0.00004   0.00006   1.38252
   A86        1.21559   0.00000   0.00002   0.00009   0.00010   1.21570
   A87        1.32274   0.00001   0.00022   0.00015   0.00036   1.32310
   A88        1.80896   0.00000   0.00007   0.00005   0.00012   1.80908
   A89        2.28417   0.00000  -0.00021   0.00003  -0.00018   2.28399
   A90        2.33255  -0.00001  -0.00014   0.00005  -0.00009   2.33246
   A91        1.93904   0.00000  -0.00006   0.00004  -0.00002   1.93901
   A92        1.86294   0.00000   0.00017   0.00008   0.00025   1.86319
   A93        2.61926  -0.00001  -0.00007   0.00004  -0.00003   2.61924
   A94        2.56191   0.00000   0.00001   0.00005   0.00006   2.56197
   A95        1.91754   0.00000   0.00054   0.00016   0.00070   1.91825
   A96        1.99748   0.00000   0.00042   0.00006   0.00048   1.99796
   A97        2.37309   0.00000   0.00026  -0.00001   0.00025   2.37334
   A98        2.32857   0.00000   0.00010  -0.00015  -0.00005   2.32852
   A99        1.66830   0.00000   0.00033   0.00000   0.00033   1.66863
   A100       1.57634   0.00000   0.00023  -0.00005   0.00019   1.57653
   A101       0.88981   0.00000  -0.00003  -0.00002  -0.00004   0.88977
   A102       1.06048   0.00000   0.00003   0.00005   0.00008   1.06055
   A103       0.93116   0.00000   0.00008   0.00011   0.00019   0.93135
   A104       1.09334   0.00000   0.00030   0.00016   0.00046   1.09380
   A105       1.48683   0.00000   0.00007   0.00006   0.00013   1.48696
   A106       2.45852   0.00000  -0.00019   0.00004  -0.00015   2.45837
   A107       2.33454   0.00000  -0.00009   0.00007  -0.00002   2.33452
   A108       1.90216   0.00000  -0.00006   0.00006   0.00000   1.90216
   A109       1.73101   0.00000   0.00015   0.00009   0.00024   1.73125
   A110       2.45509   0.00000   0.00002   0.00006   0.00008   2.45517
   A111       2.29605   0.00000   0.00006   0.00007   0.00013   2.29618
   A112       0.71328   0.00000  -0.00009   0.00000  -0.00009   0.71319
   A113       1.00492   0.00000  -0.00012  -0.00001  -0.00013   1.00479
   A114       0.69549   0.00000  -0.00004   0.00000  -0.00004   0.69545
   A115       0.98327   0.00000  -0.00006   0.00000  -0.00006   0.98321
   A116       1.80496   0.00000   0.00017  -0.00001   0.00016   1.80512
   A117       1.42463   0.00000   0.00017   0.00001   0.00018   1.42480
   A118       1.19254   0.00000   0.00028   0.00001   0.00029   1.19282
   A119       0.91920   0.00000   0.00019  -0.00001   0.00018   0.91938
   A120       1.24875   0.00000   0.00002   0.00001   0.00003   1.24878
   A121       1.90421   0.00000  -0.00037  -0.00021  -0.00058   1.90363
   A122       1.94981   0.00000  -0.00028  -0.00019  -0.00047   1.94935
   A123       2.30824   0.00000  -0.00021  -0.00015  -0.00036   2.30788
   A124       2.22677   0.00000  -0.00021  -0.00012  -0.00033   2.22644
   A125       1.60683   0.00000  -0.00018  -0.00016  -0.00033   1.60650
   A126       1.47420   0.00000  -0.00001  -0.00013  -0.00014   1.47406
   A127       0.65624   0.00000  -0.00009  -0.00001  -0.00010   0.65614
   A128       0.66076   0.00000  -0.00004  -0.00001  -0.00005   0.66071
   A129       2.16862   0.00000   0.00011  -0.00005   0.00006   2.16868
   A130       1.79658   0.00000   0.00010  -0.00003   0.00007   1.79665
   A131       1.50420   0.00000   0.00016  -0.00005   0.00011   1.50430
   A132       1.21193   0.00000   0.00009  -0.00006   0.00003   1.21196
   A133       1.64173   0.00000  -0.00001   0.00001   0.00000   1.64173
   A134       1.75136   0.00000  -0.00036  -0.00013  -0.00049   1.75087
   A135       1.95010   0.00000  -0.00032  -0.00012  -0.00044   1.94966
   A136       2.37982   0.00000  -0.00033  -0.00011  -0.00044   2.37938
   A137       2.45918   0.00000  -0.00036  -0.00011  -0.00046   2.45872
   A138       1.71790   0.00000  -0.00019  -0.00008  -0.00027   1.71762
   A139       1.68182   0.00000  -0.00003  -0.00006  -0.00009   1.68173
   A140       0.70479   0.00000  -0.00007  -0.00001  -0.00008   0.70472
   A141       0.83183   0.00000  -0.00010  -0.00003  -0.00012   0.83171
   A142       2.49615   0.00000   0.00012   0.00004   0.00017   2.49632
   A143       2.11736   0.00000   0.00014   0.00005   0.00019   2.11755
   A144       1.90089   0.00000   0.00016  -0.00001   0.00014   1.90103
   A145       1.61648   0.00000   0.00006  -0.00004   0.00002   1.61650
   A146       1.83499   0.00000   0.00008   0.00009   0.00018   1.83517
   A147       1.32645   0.00000  -0.00029  -0.00012  -0.00041   1.32604
   A148       1.56561   0.00000  -0.00025  -0.00008  -0.00033   1.56528
   A149       1.99662   0.00000  -0.00027  -0.00008  -0.00036   1.99626
   A150       2.17470   0.00000  -0.00036  -0.00006  -0.00042   2.17428
   A151       1.42422   0.00000  -0.00013  -0.00001  -0.00014   1.42408
   A152       1.48644   0.00001   0.00002   0.00002   0.00003   1.48648
   A153       0.76721   0.00000  -0.00006  -0.00004  -0.00009   0.76712
   A154       0.76725   0.00000  -0.00006  -0.00007  -0.00013   0.76712
   A155       2.80748   0.00000   0.00006   0.00002   0.00008   2.80756
   A156       2.42613   0.00000   0.00007   0.00002   0.00010   2.42623
   A157       2.15936   0.00000   0.00006  -0.00008  -0.00002   2.15934
   A158       1.86600   0.00000  -0.00001  -0.00009  -0.00009   1.86591
   A159       2.14478   0.00000   0.00004   0.00012   0.00016   2.14494
   A160       1.19127   0.00000  -0.00027  -0.00001  -0.00028   1.19099
   A161       1.51617   0.00000  -0.00025   0.00002  -0.00023   1.51594
   A162       1.91375   0.00000  -0.00028  -0.00001  -0.00029   1.91346
   A163       2.17340   0.00000  -0.00037   0.00001  -0.00035   2.17305
   A164       1.49851   0.00000  -0.00015   0.00009  -0.00006   1.49845
   A165       1.63814   0.00000  -0.00004   0.00010   0.00007   1.63821
   A166       2.15953   0.00000   0.00002  -0.00014  -0.00012   2.15941
   A167       1.86139   0.00000  -0.00003  -0.00011  -0.00015   1.86124
   A168       1.47613   0.00000  -0.00002  -0.00013  -0.00014   1.47598
   A169       1.19695   0.00000  -0.00003  -0.00011  -0.00014   1.19680
   A170       1.86815   0.00000  -0.00012  -0.00005  -0.00017   1.86798
   A171       1.95826   0.00000  -0.00032  -0.00005  -0.00037   1.95789
   A172       2.26226   0.00000  -0.00032  -0.00006  -0.00038   2.26188
   A173       2.67966   0.00000  -0.00034  -0.00005  -0.00040   2.67926
   A174       2.10733   0.00000  -0.00020  -0.00006  -0.00026   2.10707
   A175       2.09006   0.00000  -0.00004  -0.00007  -0.00011   2.08995
   A176       2.26969   0.00000  -0.00001  -0.00017  -0.00018   2.26951
   A177       2.05031   0.00000  -0.00009  -0.00014  -0.00022   2.05009
   A178       1.64014   0.00000  -0.00010  -0.00014  -0.00024   1.63990
   A179       1.38932   0.00000  -0.00007  -0.00012  -0.00019   1.38913
   A180       2.13507   0.00000  -0.00015  -0.00007  -0.00022   2.13485
   A181       1.89191   0.00000  -0.00028   0.00001  -0.00027   1.89164
   A182       2.26493   0.00000  -0.00030  -0.00001  -0.00030   2.26462
   A183       2.58698   0.00000  -0.00027   0.00001  -0.00026   2.58671
   A184       2.24747   0.00000  -0.00022  -0.00001  -0.00023   2.24724
   A185       2.30802   0.00000  -0.00007  -0.00004  -0.00011   2.30792
   A186       0.69137   0.00000   0.00001  -0.00001   0.00000   0.69137
   A187       0.98223   0.00000   0.00004  -0.00001   0.00003   0.98225
   A188       0.69918   0.00000   0.00002   0.00000   0.00002   0.69919
   A189       2.12158   0.00000   0.00029   0.00016   0.00045   2.12203
   A190       1.73968   0.00000   0.00030   0.00016   0.00046   1.74014
   A191       1.41063   0.00000   0.00031   0.00017   0.00048   1.41111
   A192       1.10522   0.00000   0.00037   0.00017   0.00054   1.10576
   A193       1.62570   0.00000   0.00023   0.00011   0.00034   1.62604
   A194       1.41373   0.00000   0.00016   0.00010   0.00026   1.41398
   A195       0.66701   0.00000  -0.00001  -0.00001  -0.00001   0.66700
   A196       2.26013   0.00000   0.00033   0.00007   0.00041   2.26053
   A197       1.86088   0.00000   0.00036   0.00008   0.00044   1.86132
   A198       1.64366   0.00000   0.00035   0.00012   0.00047   1.64413
   A199       1.32336   0.00000   0.00035   0.00011   0.00046   1.32382
   A200       1.61124   0.00000   0.00031   0.00005   0.00036   1.61159
   A201       1.34448   0.00000   0.00029   0.00005   0.00034   1.34482
   A202       0.71078   0.00000   0.00007   0.00002   0.00009   0.71087
   A203       2.64021   0.00000   0.00036   0.00002   0.00038   2.64059
   A204       2.25559   0.00000   0.00040   0.00006   0.00045   2.25604
   A205       2.05567   0.00000   0.00037   0.00013   0.00050   2.05617
   A206       1.73554   0.00000   0.00038   0.00012   0.00049   1.73604
   A207       1.94783   0.00000   0.00036   0.00001   0.00037   1.94820
   A208       1.66551   0.00000   0.00037   0.00002   0.00039   1.66590
   A209       0.83424   0.00000  -0.00007  -0.00001  -0.00007   0.83417
   A210       2.66344   0.00000   0.00006  -0.00014  -0.00008   2.66336
   A211       2.37537   0.00000   0.00022  -0.00005   0.00017   2.37554
   A212       2.29437   0.00000   0.00031   0.00008   0.00038   2.29475
   A213       1.97791   0.00000   0.00029   0.00007   0.00036   1.97827
   A214       1.99808   0.00000   0.00018  -0.00008   0.00011   1.99818
   A215       1.72080   0.00000   0.00023  -0.00005   0.00018   1.72097
   A216       1.93021   0.00000   0.00028  -0.00001   0.00027   1.93049
   A217       1.56066   0.00000   0.00033   0.00000   0.00033   1.56100
   A218       1.48792   0.00000   0.00033   0.00003   0.00036   1.48828
   A219       1.19534   0.00000   0.00025   0.00001   0.00026   1.19560
   A220       1.23804   0.00000   0.00029   0.00000   0.00028   1.23833
   A221       0.95741   0.00000   0.00028   0.00001   0.00029   0.95770
   A222       0.72550   0.00000  -0.00002   0.00000  -0.00003   0.72548
   A223       1.01744  -0.00001  -0.00009  -0.00001  -0.00010   1.01734
   A224       0.69770   0.00000  -0.00003  -0.00001  -0.00003   0.69767
   A225       0.98119   0.00000  -0.00004  -0.00002  -0.00006   0.98113
   A226       0.65819   0.00000  -0.00011  -0.00001  -0.00012   0.65807
   A227       0.66243   0.00000  -0.00005  -0.00002  -0.00007   0.66236
   A228       0.70421   0.00000  -0.00006   0.00000  -0.00007   0.70414
   A229       0.85016   0.00000  -0.00012   0.00000  -0.00012   0.85004
   A230       0.75813   0.00000  -0.00022  -0.00004  -0.00025   0.75787
   A231       0.78109  -0.00001  -0.00030  -0.00003  -0.00033   0.78076
   A232       1.58916   0.00000  -0.00015   0.00005  -0.00010   1.58906
   A233       1.86446  -0.00001   0.00018  -0.00017   0.00001   1.86447
   A234       2.19014   0.00000  -0.00004   0.00003  -0.00001   2.19013
   A235       2.12921   0.00000   0.00001  -0.00002  -0.00001   2.12920
   A236       1.96348  -0.00001   0.00003  -0.00001   0.00002   1.96349
   A237       2.12393   0.00000   0.00009  -0.00005   0.00004   2.12397
   A238       2.12625   0.00000   0.00003   0.00001   0.00004   2.12629
   A239       2.03237   0.00000  -0.00012   0.00004  -0.00008   2.03229
   A240       1.82988   0.00000  -0.00004   0.00025   0.00020   1.83008
   A241       2.54422   0.00000   0.00004  -0.00024  -0.00020   2.54402
   A242       1.91370   0.00000   0.00002   0.00002   0.00005   1.91374
   A243       1.91674   0.00001  -0.00005   0.00006   0.00001   1.91675
   A244       1.91637   0.00000   0.00004  -0.00005  -0.00001   1.91636
   A245       1.90998   0.00000   0.00012  -0.00003   0.00009   1.91007
   A246       1.90841  -0.00001   0.00000  -0.00001  -0.00001   1.90840
   A247       1.89853   0.00000  -0.00013   0.00001  -0.00012   1.89840
   A248       1.28183   0.00001   0.00003   0.00006   0.00009   1.28192
   A249       1.90371   0.00001   0.00000   0.00005   0.00004   1.90376
   A250       1.90924   0.00001   0.00006  -0.00002   0.00004   1.90928
   A251       1.92826   0.00000  -0.00009   0.00003  -0.00006   1.92820
   A252       1.91120   0.00000   0.00007  -0.00004   0.00003   1.91123
   A253       1.89834   0.00000  -0.00001  -0.00002  -0.00004   1.89830
   A254       1.91297  -0.00001  -0.00003   0.00001  -0.00002   1.91295
   A255       1.72420   0.00000   0.00015   0.00000   0.00014   1.72435
   A256       1.76436   0.00000  -0.00020   0.00003  -0.00017   1.76419
   A257       2.19137   0.00000   0.00002   0.00001   0.00003   2.19141
   A258       2.12966   0.00000  -0.00002  -0.00002  -0.00004   2.12963
   A259       1.96194   0.00000   0.00000   0.00001   0.00000   1.96194
   A260       2.12524   0.00000   0.00002   0.00001   0.00003   2.12527
   A261       2.12270   0.00000   0.00000   0.00002   0.00002   2.12272
   A262       2.03497  -0.00001  -0.00001  -0.00003  -0.00005   2.03493
   A263       1.35774   0.00001   0.00021  -0.00008   0.00013   1.35787
   A264       1.90092   0.00001  -0.00002  -0.00002  -0.00004   1.90088
   A265       1.93110   0.00000   0.00000   0.00001   0.00000   1.93110
   A266       1.90962   0.00000   0.00004   0.00001   0.00005   1.90967
   A267       1.89691   0.00000   0.00000   0.00000   0.00000   1.89690
   A268       1.91370   0.00000   0.00000   0.00002   0.00002   1.91372
   A269       1.91148  -0.00001  -0.00002  -0.00002  -0.00004   1.91144
   A270       2.67194   0.00000   0.00007   0.00003   0.00010   2.67204
   A271       1.69120   0.00000  -0.00011  -0.00004  -0.00015   1.69105
   A272       1.92490   0.00000   0.00003   0.00002   0.00006   1.92495
   A273       1.91276   0.00000  -0.00004  -0.00002  -0.00005   1.91271
   A274       1.91357   0.00000   0.00001   0.00002   0.00003   1.91361
   A275       1.89432   0.00000  -0.00002  -0.00003  -0.00005   1.89427
   A276       1.91100   0.00000   0.00001   0.00000   0.00002   1.91101
   A277       1.90709   0.00000  -0.00001   0.00001   0.00000   1.90709
   A278       1.81106  -0.00001  -0.00037  -0.00007  -0.00044   1.81062
   A279       1.75131   0.00001   0.00084   0.00004   0.00088   1.75219
   A280       2.18995   0.00000  -0.00003   0.00000  -0.00003   2.18992
   A281       2.13054   0.00000  -0.00002  -0.00003  -0.00005   2.13049
   A282       1.96262   0.00000   0.00006   0.00002   0.00008   1.96270
   A283       2.12272   0.00000  -0.00004  -0.00001  -0.00005   2.12267
   A284       2.11522   0.00000  -0.00005  -0.00001  -0.00006   2.11517
   A285       2.04221   0.00000   0.00007   0.00003   0.00010   2.04231
   A286       2.69959   0.00000   0.00073   0.00010   0.00083   2.70042
   A287       1.65962   0.00000  -0.00073  -0.00012  -0.00085   1.65877
   A288       1.92622   0.00000   0.00019   0.00000   0.00019   1.92641
   A289       1.91520   0.00000  -0.00011  -0.00001  -0.00011   1.91509
   A290       1.91235   0.00000  -0.00006  -0.00001  -0.00007   1.91228
   A291       1.89109   0.00000   0.00002   0.00001   0.00003   1.89112
   A292       1.91237   0.00000   0.00001   0.00001   0.00002   1.91239
   A293       1.90637   0.00000  -0.00005  -0.00001  -0.00006   1.90632
   A294       1.35179  -0.00001  -0.00007  -0.00030  -0.00037   1.35141
   A295       1.15313   0.00000   0.00019   0.00014   0.00034   1.15347
   A296       1.93291   0.00000  -0.00005   0.00001  -0.00004   1.93287
   A297       1.90721   0.00000   0.00005   0.00000   0.00005   1.90726
   A298       1.90194   0.00000   0.00006  -0.00001   0.00005   1.90199
   A299       1.90930   0.00000  -0.00008   0.00001  -0.00007   1.90924
   A300       1.89825   0.00000  -0.00003   0.00002  -0.00001   1.89824
   A301       1.91414   0.00000   0.00005  -0.00003   0.00002   1.91417
   A302       1.64637   0.00000  -0.00005   0.00003  -0.00002   1.64635
   A303       1.80666   0.00000  -0.00004   0.00007   0.00002   1.80668
   A304       2.18933   0.00000  -0.00007   0.00004  -0.00004   2.18929
   A305       2.13009   0.00000   0.00007  -0.00004   0.00004   2.13013
   A306       1.96341   0.00000   0.00000   0.00000   0.00000   1.96341
   A307       2.12534   0.00000   0.00005  -0.00003   0.00003   2.12537
   A308       2.12370   0.00001   0.00006   0.00003   0.00008   2.12378
   A309       2.03072  -0.00001  -0.00012   0.00000  -0.00012   2.03060
   A310       1.30331  -0.00001  -0.00041  -0.00019  -0.00060   1.30271
   A311       3.04679   0.00000   0.00041   0.00008   0.00049   3.04729
   A312       1.91187  -0.00001   0.00013  -0.00006   0.00007   1.91194
   A313       1.92973   0.00000   0.00009   0.00002   0.00012   1.92985
   A314       1.90228   0.00000  -0.00014  -0.00005  -0.00019   1.90209
   A315       1.91134   0.00001  -0.00007   0.00007   0.00000   1.91134
   A316       1.91174   0.00000   0.00005   0.00004   0.00009   1.91183
   A317       1.89673   0.00000  -0.00006  -0.00002  -0.00009   1.89664
   A318       1.78543   0.00000  -0.00019   0.00014  -0.00004   1.78539
   A319       1.91573   0.00000  -0.00002   0.00005   0.00003   1.91576
   A320       1.91440   0.00000  -0.00006  -0.00004  -0.00010   1.91430
   A321       1.92038   0.00000  -0.00002   0.00000  -0.00003   1.92035
   A322       1.90707   0.00000  -0.00001   0.00004   0.00003   1.90710
   A323       1.91054   0.00000   0.00008  -0.00004   0.00004   1.91058
   A324       1.89553   0.00000   0.00003  -0.00001   0.00002   1.89556
   A325       2.93954   0.00000  -0.00022  -0.00018  -0.00040   2.93914
   A326       3.36565   0.00000   0.00014   0.00008   0.00023   3.36588
   A327       3.08426   0.00000   0.00014   0.00007   0.00021   3.08447
   A328       3.19480   0.00000   0.00000   0.00006   0.00007   3.19487
   A329       3.26922   0.00000   0.00019  -0.00009   0.00009   3.26931
   A330       3.26109   0.00000  -0.00016  -0.00029  -0.00044   3.26065
   A331       3.69597   0.00000  -0.00010   0.00011   0.00000   3.69597
   A332       3.21878   0.00000   0.00025   0.00026   0.00050   3.21928
   A333       2.97612   0.00000  -0.00047  -0.00006  -0.00053   2.97559
   A334       2.90898   0.00000  -0.00037  -0.00001  -0.00038   2.90861
   A335       3.22826   0.00000  -0.00023   0.00007  -0.00016   3.22811
   A336       3.07726   0.00000   0.00008   0.00002   0.00010   3.07735
   A337       3.10348   0.00000   0.00011   0.00003   0.00014   3.10362
   A338       3.04569   0.00000   0.00007  -0.00001   0.00006   3.04575
    D1        2.75799   0.00000  -0.00003   0.00006   0.00002   2.75802
    D2       -1.36100   0.00000  -0.00004   0.00002  -0.00002  -1.36102
    D3        2.78067   0.00000  -0.00012   0.00016   0.00004   2.78071
    D4       -1.33832   0.00000  -0.00013   0.00012   0.00000  -1.33832
    D5        1.66177   0.00000   0.00004   0.00001   0.00005   1.66182
    D6       -2.45722   0.00000   0.00003  -0.00003   0.00000  -2.45722
    D7        1.84350   0.00000   0.00005  -0.00003   0.00003   1.84353
    D8       -2.27549   0.00000   0.00005  -0.00007  -0.00002  -2.27550
    D9        0.31778   0.00000  -0.00077  -0.00027  -0.00104   0.31674
   D10        2.48198   0.00000  -0.00078  -0.00031  -0.00109   2.48089
   D11        0.03152   0.00000  -0.00051  -0.00013  -0.00064   0.03088
   D12        2.19572   0.00000  -0.00051  -0.00017  -0.00068   2.19503
   D13       -0.43811   0.00000  -0.00037  -0.00009  -0.00046  -0.43857
   D14        1.72609   0.00000  -0.00037  -0.00013  -0.00050   1.72558
   D15       -0.55940   0.00000  -0.00026   0.00000  -0.00026  -0.55966
   D16        1.60480   0.00000  -0.00027  -0.00004  -0.00031   1.60449
   D17        0.21146   0.00000  -0.00032  -0.00004  -0.00036   0.21110
   D18        2.37565   0.00000  -0.00032  -0.00008  -0.00040   2.37525
   D19        0.14432   0.00000  -0.00021   0.00001  -0.00021   0.14412
   D20        2.30852   0.00000  -0.00022  -0.00003  -0.00025   2.30827
   D21        2.39963   0.00000  -0.00024  -0.00018  -0.00042   2.39920
   D22       -1.71936   0.00000  -0.00025  -0.00022  -0.00047  -1.71983
   D23        2.15650   0.00000  -0.00030  -0.00016  -0.00046   2.15604
   D24       -1.96249   0.00000  -0.00030  -0.00020  -0.00050  -1.96299
   D25        1.71421   0.00000  -0.00032  -0.00018  -0.00050   1.71371
   D26       -2.40478   0.00000  -0.00033  -0.00022  -0.00055  -2.40532
   D27        1.40760   0.00000  -0.00036  -0.00019  -0.00055   1.40705
   D28       -2.71139   0.00000  -0.00036  -0.00023  -0.00059  -2.71198
   D29        2.36674   0.00000  -0.00031  -0.00010  -0.00041   2.36633
   D30       -1.75225   0.00000  -0.00031  -0.00014  -0.00045  -1.75270
   D31       -1.75017   0.00000   0.00003   0.00000   0.00003  -1.75014
   D32        0.41402   0.00000   0.00002  -0.00004  -0.00001   0.41401
   D33       -2.10045   0.00000   0.00008   0.00002   0.00010  -2.10036
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   D35       -2.47541   0.00000   0.00005   0.00001   0.00005  -2.47536
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   D478       3.11764   0.00000  -0.00013   0.00003  -0.00010   3.11754
   D479       0.06818   0.00000  -0.00004   0.00000  -0.00003   0.06814
   D480      -0.30531  -0.00001  -0.00042  -0.00017  -0.00059  -0.30590
   D481       1.80266   0.00000  -0.00037  -0.00010  -0.00047   1.80219
   D482      -2.39671   0.00000  -0.00048  -0.00015  -0.00062  -2.39733
   D483       2.74880  -0.00001  -0.00050  -0.00014  -0.00064   2.74816
   D484      -1.42642   0.00000  -0.00045  -0.00008  -0.00052  -1.42694
   D485       0.65740   0.00000  -0.00056  -0.00012  -0.00068   0.65672
   D486      -0.09238   0.00000   0.00019  -0.00008   0.00011  -0.09228
   D487       2.00311   0.00000   0.00012  -0.00002   0.00010   2.00321
   D488      -2.19590   0.00000   0.00011  -0.00006   0.00005  -2.19585
   D489       3.13660   0.00000   0.00027  -0.00010   0.00016   3.13677
   D490      -1.05109   0.00000   0.00020  -0.00005   0.00016  -1.05093
   D491       1.03308   0.00000   0.00019  -0.00008   0.00011   1.03319
         Item               Value     Threshold  Converged?
 Maximum Force            0.000032     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.003460     0.001800     NO 
 RMS     Displacement     0.000372     0.001200     YES
 Predicted change in Energy=-1.308935D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:13:57 2016, MaxMem=  2952790016 cpu:         8.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.824406   -0.586023    1.667383
      2          6           0       -2.068622    1.118281   -1.369065
      3          8           0       -2.619220    0.138437   -1.900852
      4          7           0       -0.776642    1.164167   -0.944341
      5          1           0       -2.615917    2.060415   -1.165110
      6          6           0       -0.236363    2.334091   -0.251055
      7          1           0       -0.992345    3.131205   -0.227143
      8          1           0        0.042340    2.061898    0.779823
      9          1           0        0.661453    2.698051   -0.776851
     10          6           0        0.132733    0.027994   -1.112589
     11          1           0        0.700536   -0.119608   -0.180709
     12          1           0       -0.450035   -0.875736   -1.333807
     13          1           0        0.842748    0.220540   -1.933813
     14          6           0       -2.007656   -3.996900    2.623737
     15          8           0       -2.130529   -3.843875    3.851036
     16          7           0       -2.947059   -3.686012    1.689482
     17          1           0       -1.077640   -4.395159    2.171487
     18          6           0       -4.245863   -3.119020    2.060614
     19          1           0       -4.506525   -2.324274    1.343669
     20          1           0       -5.030852   -3.893081    2.030827
     21          1           0       -4.184437   -2.697820    3.072233
     22          6           0       -2.698115   -3.872210    0.259678
     23          1           0       -3.406878   -4.605174   -0.159524
     24          1           0       -2.833302   -2.913189   -0.267034
     25          1           0       -1.669623   -4.227923    0.107058
     26          6           0        1.562882    0.376318    2.609511
     27          8           0        1.398482    1.394651    3.302439
     28          7           0        1.177199   -0.883012    2.952361
     29          1           0        2.044362    0.414718    1.612471
     30          6           0        1.478189   -2.035675    2.102556
     31          1           0        2.226368   -2.685238    2.587295
     32          1           0        0.562076   -2.625129    1.937189
     33          1           0        1.864420   -1.688235    1.134571
     34          6           0        0.535959   -1.155750    4.241203
     35          1           0        1.283848   -1.460480    4.993146
     36          1           0        0.018902   -0.251676    4.587155
     37          1           0       -0.190096   -1.971575    4.113775
     38          6           0       -4.609013    1.094359    2.908510
     39          8           0       -4.856106    1.671568    1.835778
     40          7           0       -3.538393    1.344462    3.710906
     41          1           0       -5.250696    0.279128    3.299275
     42          6           0       -2.540591    2.362802    3.371280
     43          1           0       -2.621576    2.615475    2.305997
     44          1           0       -2.692058    3.271031    3.977714
     45          1           0       -1.536289    1.963479    3.579593
     46          6           0       -3.261743    0.534686    4.897906
     47          1           0       -4.076183   -0.185883    5.054132
     48          1           0       -2.312911   -0.012032    4.761934
     49          1           0       -3.170043    1.183066    5.784066
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490603   0.000000
     3  O    3.726778   1.243402   0.000000
     4  N    3.313922   1.360775   2.315627   0.000000
     5  H    3.956405   1.108489   2.057991   2.057895   0.000000
     6  C    3.837884   2.466843   3.636033   1.463308   2.563722
     7  H    4.254332   2.552297   3.795350   2.104790   2.159249
     8  H    3.359165   3.156626   4.239059   2.109358   3.293796
     9  H    4.789460   3.209314   4.310199   2.109258   3.361320
    10  C    3.454803   2.469912   2.864752   1.464977   3.418855
    11  H    3.163593   3.257727   3.747834   2.100777   4.089059
    12  H    3.313604   2.568495   2.460782   2.102275   3.652463
    13  H    4.553336   3.098540   3.463098   2.119412   3.992293
    14  C    3.547150   6.489318   6.160108   6.393996   7.170524
    15  O    3.933910   7.202519   7.012977   7.064640   7.762600
    16  N    3.297085   5.762603   5.255891   5.930596   6.424934
    17  H    3.914242   6.626882   6.286009   6.380054   7.427894
    18  C    3.526210   5.870077   5.380540   6.277814   6.315740
    19  H    3.212487   5.015324   4.489296   5.596091   5.393873
    20  H    4.620608   6.741500   6.125946   7.247461   7.175656
    21  H    3.464540   6.226109   5.935136   6.531530   6.561718
    22  C    3.680221   5.287160   4.556250   5.523298   6.101871
    23  H    4.689924   6.000988   5.114145   6.389005   6.787261
    24  H    3.189912   4.248759   3.468085   4.616647   5.058709
    25  H    3.965099   5.560578   4.898830   5.565742   6.485143
    26  C    3.645192   5.437591   6.155481   4.327117   5.877610
    27  O    4.121102   5.824099   6.692850   4.776968   6.042982
    28  N    3.278568   5.763267   6.245785   4.815882   6.324955
    29  H    3.996482   5.128469   5.845406   3.880338   5.669345
    30  C    3.632905   5.880430   6.127218   4.960527   6.649609
    31  H    4.654214   6.968965   7.183058   6.025648   7.749160
    32  H    3.150563   5.644909   5.699869   4.945113   6.455867
    33  H    3.886669   5.441832   5.714329   4.408319   6.278083
    34  C    3.538426   6.590156   7.025305   5.830505   7.036068
    35  H    4.635366   7.639816   8.081936   6.810884   8.094998
    36  H    3.469097   6.458412   7.014707   5.764976   6.736214
    37  H    3.252008   6.567922   6.821183   5.980088   7.071646
    38  C    3.481108   4.975119   5.291788   5.434740   4.636818
    39  O    3.783685   4.283364   4.616985   4.962715   3.764967
    40  N    3.292493   5.293155   5.813020   5.415820   5.013889
    41  H    3.892431   5.711669   5.829732   6.229665   5.481403
    42  C    3.480194   4.923663   5.722705   4.813816   4.547081
    43  H    3.360491   4.006673   4.881936   4.009336   3.515211
    44  H    4.579008   5.797504   6.661530   5.686327   5.283940
    45  H    3.199925   5.048461   5.876972   4.656388   4.866950
    46  C    3.709205   6.406172   6.840538   6.379954   6.285308
    47  H    4.086646   6.854823   7.113349   6.977914   6.771795
    48  H    3.185019   6.239105   6.671520   6.025374   6.286231
    49  H    4.678407   7.237722   7.775129   7.141442   7.026226
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098850   0.000000
     8  H    1.102031   1.796655   0.000000
     9  H    1.102271   1.795786   1.791990   0.000000
    10  C    2.489288   3.417562   2.779597   2.742530   0.000000
    11  H    2.627426   3.665485   2.472814   2.880298   1.101175
    12  H    3.394260   4.192181   3.652336   3.783856   1.097855
    13  H    2.909167   3.840867   3.375658   2.740345   1.102544
    14  C    7.175190   7.743916   6.656690   7.969348   5.894164
    15  O    7.653906   8.159580   7.002276   8.485830   6.689642
    16  N    6.881512   7.346346   6.542359   7.736952   5.579478
    17  H    7.201338   7.899800   6.699602   7.875962   5.640430
    18  C    7.152366   7.408409   6.846242   8.122271   6.256599
    19  H    6.517499   6.676762   6.344178   7.511881   5.752312
    20  H    8.183629   8.411216   7.922377   9.150323   7.205450
    21  H    7.207750   7.419761   6.765774   8.210574   6.601573
    22  C    6.696212   7.224574   6.557003   7.451807   5.010830
    23  H    7.629807   8.104696   7.565007   8.382692   5.907913
    24  H    5.854767   6.318655   5.840951   6.630177   4.261794
    25  H    6.726255   7.397780   6.553264   7.361001   4.780048
    26  C    3.905508   4.707992   2.915645   4.203626   4.002585
    27  O    4.022758   4.603218   2.940737   4.345420   4.791904
    28  N    4.754975   5.561484   3.831491   5.195867   4.294725
    29  H    3.515456   4.470467   2.722976   3.582585   3.351095
    30  C    5.251098   6.182854   4.538876   5.600555   4.050450
    31  H    6.270162   7.218876   5.529216   6.538061   5.043221
    32  H    5.479031   6.343180   4.855702   5.975964   4.065040
    33  H    4.744719   5.765620   4.184414   4.933577   3.315707
    34  C    5.740719   6.378072   4.751638   6.328381   5.497902
    35  H    6.649170   7.315466   5.630327   7.139582   6.389102
    36  H    5.491778   5.970257   4.455216   6.155187   5.707737
    37  H    6.131284   6.747261   5.238145   6.815334   5.605121
    38  C    5.535328   5.202052   5.206008   6.628086   6.307974
    39  O    5.112321   4.616798   5.026148   6.190553   6.023513
    40  N    5.251658   5.018271   4.682693   6.293717   6.202932
    41  H    6.478522   6.221214   6.127163   7.577565   6.964835
    42  C    4.293204   3.992011   3.671202   5.250949   5.718660
    43  H    3.508124   3.055678   3.119632   4.504337   5.095882
    44  H    4.979034   4.537554   4.377835   5.846386   6.663927
    45  H    4.062146   4.018793   3.215660   4.934397   5.343062
    46  C    6.237193   6.177232   5.496176   7.230109   6.921362
    47  H    7.017086   6.957369   6.347005   8.047524   7.469215
    48  H    5.911548   6.042741   5.070069   6.846133   6.363395
    49  H    6.808380   6.683730   6.011173   7.747334   7.733459
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795878   0.000000
    13  H    1.791451   1.798087   0.000000
    14  C    5.498419   5.275414   6.832486   0.000000
    15  O    6.175765   6.206167   7.669702   1.242891   0.000000
    16  N    5.433397   4.824215   6.538506   1.360868   2.316022
    17  H    5.193754   5.006727   6.468853   1.108183   2.057517
    18  C    6.203779   5.564416   7.280252   2.469282   2.864553
    19  H    5.856430   5.071711   6.769984   3.268119   3.773783
    20  H    7.209632   6.434984   8.193865   3.082537   3.424537
    21  H    6.410287   6.056314   7.671370   2.574323   2.477602
    22  C    5.082007   4.070862   5.839497   2.465980   3.636043
    23  H    6.082073   4.902099   6.670453   3.174014   4.277059
    24  H    4.505503   3.311975   5.109966   3.195728   4.280019
    25  H    4.751707   3.847160   5.501453   2.549767   3.791741
    26  C    2.962248   4.601004   4.602679   5.645704   5.743927
    27  O    3.861661   5.483288   5.394970   6.413363   6.340113
    28  N    3.259774   4.584668   5.020396   4.466273   4.529392
    29  H    2.303665   4.070362   3.749361   6.074857   6.369969
    30  C    3.080481   4.107566   4.667609   4.033502   4.398820
    31  H    4.070930   5.080597   5.549628   4.432690   4.682097
    32  H    3.283642   3.845018   4.812615   2.992762   3.521119
    33  H    2.354821   3.479906   3.755292   4.747685   5.290140
    34  C    4.544665   5.668450   6.333965   4.142258   3.806364
    35  H    5.376521   6.586244   7.141650   4.783463   4.317749
    36  H    4.818153   5.972197   6.589744   4.689205   4.250390
    37  H    4.760841   5.562785   6.515018   3.102527   2.709210
    38  C    6.261653   6.259043   7.343932   5.724427   5.605121
    39  O    6.176633   5.995705   6.985143   6.392658   6.473804
    40  N    5.937734   6.317940   7.233287   5.661734   5.377783
    41  H    6.905537   6.770930   8.032353   5.409073   5.199907
    42  C    5.411459   6.082466   6.646824   6.425624   6.238682
    43  H    4.969991   5.491113   5.976055   6.648410   6.659690
    44  H    6.348118   7.101732   7.533027   7.424586   7.138154
    45  H    4.845876   5.777767   6.252623   6.054912   5.843985
    46  C    6.474572   6.980633   7.976084   5.223011   4.641915
    47  H    7.086960   7.377710   8.555258   4.970862   4.314384
    48  H    5.789832   6.432289   7.405761   4.532575   3.942844
    49  H    7.228893   7.893113   8.751835   6.178258   5.485192
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056683   0.000000
    18  C    1.464961   3.417376   0.000000
    19  H    2.099013   4.090367   1.101625   0.000000
    20  H    2.121694   3.987449   1.102844   1.791162   0.000000
    21  H    2.102292   3.653011   1.097523   1.797558   1.797107
    22  C    1.463210   2.560162   2.491222   2.615624   2.929004
    23  H    2.115447   3.301980   2.800279   2.944710   2.818156
    24  H    2.106692   3.350368   2.730502   2.396009   3.327098
    25  H    2.104656   2.154131   3.418049   3.633332   3.887270
    26  C    6.139100   5.470943   6.801485   6.762637   7.876546
    27  O    6.877390   6.397822   7.333075   7.248192   8.421011
    28  N    5.144043   4.246085   5.933342   6.080284   6.960577
    29  H    6.460357   5.761451   7.228767   7.105523   8.294023
    30  C    4.740998   3.479105   5.825819   6.039537   6.769247
    31  H    5.345275   3.743420   6.508097   6.856293   7.378060
    32  H    3.674352   2.424164   4.834815   5.112094   5.735618
    33  H    5.239215   4.130175   6.343521   6.406029   7.294477
    34  C    5.004490   4.169075   5.610278   5.931930   6.585448
    35  H    5.811004   4.706455   6.475199   6.898786   7.387037
    36  H    5.384060   4.919990   5.726543   5.940989   6.730130
    37  H    4.051831   3.230166   4.688427   5.140958   5.609258
    38  C    5.205772   6.568759   4.313162   3.761154   5.081617
    39  O    5.689422   7.155045   4.834530   4.041179   5.570808
    40  N    5.453577   6.431824   4.811097   4.472216   5.699294
    41  H    4.860094   6.366730   3.753849   3.340043   4.366305
    42  C    6.291408   7.017817   5.888647   5.472182   6.865441
    43  H    6.339935   7.179889   5.965145   5.374033   6.945619
    44  H    7.328129   8.039854   6.849988   6.444992   7.783625
    45  H    6.122054   6.528813   5.956584   5.675076   6.993564
    46  C    5.311055   6.042105   4.729512   4.728185   5.563722
    47  H    4.984646   5.917677   4.194429   4.304120   4.878020
    48  H    4.831173   5.239094   4.548275   4.673643   5.468883
    49  H    6.365789   6.967458   5.790460   5.814185   6.581541
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390990   0.000000
    23  H    3.832343   1.102412   0.000000
    24  H    3.608692   1.102462   1.789794   0.000000
    25  H    4.178250   1.098918   1.797621   1.795165   0.000000
    26  C    6.534227   6.459707   7.561835   6.198532   6.157142
    27  O    6.926059   7.333507   8.430574   7.014742   7.158007
    28  N    5.661717   5.586046   6.674735   5.529036   5.233410
    29  H    7.114545   6.534440   7.619404   6.196702   6.133032
    30  C    5.783082   4.920425   5.965167   4.997393   4.323966
    31  H    6.429132   5.574696   6.554741   5.813726   4.869312
    32  H    4.880881   3.872739   4.906056   4.058346   3.301335
    33  H    6.431366   5.133411   6.161964   5.053078   4.471606
    34  C    5.101628   5.804389   6.841848   5.896160   5.603034
    35  H    5.926471   6.639141   7.644738   6.835991   6.344729
    36  H    5.093787   6.262388   7.295195   6.227508   6.223578
    37  H    4.191301   4.975605   5.961931   5.202371   4.830517
    38  C    3.819383   5.944295   6.583512   5.412731   6.694388
    39  O    4.590371   6.154225   6.743811   5.434477   6.924315
    40  N    4.143105   6.311158   7.098993   5.869305   6.894309
    41  H    3.170280   5.743555   6.262537   5.362204   6.582389
    42  C    5.329310   6.970097   7.859371   6.415534   7.406172
    43  H    5.591132   6.803186   7.670285   6.101757   7.250768
    44  H    6.218864   8.052933   8.925375   7.502160   8.500686
    45  H    5.384962   6.813733   7.786354   6.345130   7.099982
    46  C    3.825381   6.422738   7.212269   6.224789   6.940426
    47  H    3.201479   6.202811   6.867337   6.107189   6.826651
    48  H    3.683905   5.943035   6.820151   5.829068   6.313115
    49  H    4.841932   7.503160   8.299764   7.314951   7.984891
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242649   0.000000
    28  N    1.360959   2.315010   0.000000
    29  H    1.107875   2.057528   2.057032   0.000000
    30  C    2.466149   3.634998   1.463350   2.562258   0.000000
    31  H    3.132704   4.224017   2.117084   3.254710   1.103030
    32  H    3.234550   4.326905   2.108061   3.397541   1.101846
    33  H    2.555143   3.797491   2.103572   2.164066   1.098583
    34  C    2.462564   2.851275   1.465158   3.413485   2.497173
    35  H    3.022152   3.320151   2.123593   3.940015   2.953663
    36  H    2.586373   2.502824   2.100664   3.659961   3.389011
    37  H    3.293683   3.809635   2.098416   4.116275   2.613863
    38  C    6.220713   6.027881   6.114914   6.812417   6.892075
    39  O    6.593917   6.430213   6.646308   7.017549   7.344257
    40  N    5.307860   4.953998   5.270090   6.036142   6.259250
    41  H    6.849092   6.742103   6.541311   7.488762   7.215839
    42  C    4.622218   4.056890   4.953057   5.283014   6.091539
    43  H    4.755589   4.317890   5.204603   5.205314   6.203439
    44  H    5.325021   4.550748   5.768758   6.015527   7.004877
    45  H    3.614554   3.002209   3.982330   4.369130   5.221298
    46  C    5.342175   5.000275   5.049675   6.242053   6.073523
    47  H    6.171815   5.961415   5.701005   7.047470   6.556262
    48  H    4.450338   4.228867   4.026665   5.393242   5.053697
    49  H    5.755799   5.203332   5.584421   6.721800   6.746842
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787769   0.000000
    33  H    1.798729   1.793897   0.000000
    34  C    2.816421   2.732807   3.420455   0.000000
    35  H    2.859457   3.349065   3.908649   1.103457   0.000000
    36  H    3.846370   3.598699   4.170129   1.097442   1.796142
    37  H    2.945972   2.393830   3.630010   1.099529   1.790816
    38  C    7.817350   6.443463   7.266018   5.771463   6.752682
    39  O    8.349129   6.915821   7.546220   6.546308   7.581407
    40  N    7.122741   5.976418   6.710078   4.809638   5.724146
    41  H    8.074705   6.639149   7.692940   6.035849   6.971061
    42  C    6.987219   6.046702   6.388888   4.754170   5.645730
    43  H    7.188827   6.142930   6.326003   5.285563   6.251921
    44  H    7.848650   7.036890   7.310217   5.485062   6.263076
    45  H    6.062409   5.306218   5.556795   3.802831   4.655620
    46  C    6.769504   5.776838   6.736588   4.208488   4.965094
    47  H    7.214860   6.097434   7.273980   4.782609   5.509832
    48  H    5.699134   4.803437   5.780788   3.113729   3.884345
    49  H    7.369150   6.574916   7.430209   4.645959   5.239374
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796057   0.000000
    38  C    5.103651   5.511755   0.000000
    39  O    5.919007   6.342981   1.242972   0.000000
    40  N    3.996225   4.729640   1.361109   2.315053   0.000000
    41  H    5.450601   5.598102   1.108627   2.058255   2.058241
    42  C    3.855496   4.986276   2.470116   2.863071   1.465596
    43  H    4.516233   5.497380   2.574242   2.470868   2.104708
    44  H    4.486667   5.810615   3.091248   3.439372   2.121117
    45  H    2.888029   4.193118   3.263029   3.761288   2.099726
    46  C    3.387855   4.041191   2.466995   3.634711   1.463298
    47  H    4.122150   4.378886   2.554725   3.796868   2.106046
    48  H    2.350602   2.960787   3.151407   4.226670   2.108682
    49  H    3.696005   4.649916   3.216726   4.320929   2.111806
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419290   0.000000
    43  H    3.654776   1.097829   0.000000
    44  H    3.994795   1.102536   1.797042   0.000000
    45  H    4.088084   1.100671   1.795827   1.789970   0.000000
    46  C    2.564539   2.488504   3.384891   2.942597   2.599344
    47  H    2.162230   3.418454   4.185180   3.876175   3.639380
    48  H    3.294651   2.761447   3.609805   3.396653   2.429756
    49  H    3.364581   2.758537   3.801260   2.801959   2.852700
                   46         47         48         49
    46  C    0.000000
    47  H    1.098608   0.000000
    48  H    1.103481   1.795754   0.000000
    49  H    1.101856   1.796640   1.791003   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143831      0.1945698      0.1846916
 Leave Link  202 at Mon Nov 14 04:13:58 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1491116890 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843124575 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9647992315 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4037
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.25D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     224
 GePol: Fraction of low-weight points (<1% of avg)   =       5.55%
 GePol: Cavity surface area                          =    467.987 Ang**2
 GePol: Cavity volume                                =    458.364 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040167115 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9607825199 Hartrees.
 Leave Link  301 at Mon Nov 14 04:13:58 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:13:59 2016, MaxMem=  2952790016 cpu:        14.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:13:59 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000261   -0.000224    0.000063
         Rot=    1.000000    0.000010   -0.000002    0.000018 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:14:00 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48892107.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   3970.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.75D-15 for   2672   1804.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.77D-15 for   3970.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.81D-11 for   1682   1681.
 E= -1013.45141426065    
 DIIS: error= 2.64D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141426065     IErMin= 1 ErrMin= 2.64D-05
 ErrMax= 2.64D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.39D-07 BMatP= 8.39D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.95D-06 MaxDP=1.30D-04              OVMax= 2.40D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.95D-06    CP:  1.00D+00
 E= -1013.45141560689     Delta-E=       -0.000001346245 Rises=F Damp=F
 DIIS: error= 3.43D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141560689     IErMin= 2 ErrMin= 3.43D-06
 ErrMax= 3.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-08 BMatP= 8.39D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.240D-01 0.976D+00
 Coeff:      0.240D-01 0.976D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=6.05D-05 DE=-1.35D-06 OVMax= 9.26D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.01D-06    CP:  1.00D+00  9.57D-01
 E= -1013.45141555864     Delta-E=        0.000000048257 Rises=F Damp=F
 DIIS: error= 9.13D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141560689     IErMin= 2 ErrMin= 3.43D-06
 ErrMax= 9.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.50D-08 BMatP= 1.51D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.348D-02 0.701D+00 0.296D+00
 Coeff:      0.348D-02 0.701D+00 0.296D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.64D-07 MaxDP=5.23D-05 DE= 4.83D-08 OVMax= 8.46D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.25D-07    CP:  1.00D+00  9.73D-01  3.20D-01
 E= -1013.45141561801     Delta-E=       -0.000000059378 Rises=F Damp=F
 DIIS: error= 2.11D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141561801     IErMin= 4 ErrMin= 2.11D-06
 ErrMax= 2.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-09 BMatP= 1.51D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.152D-03 0.288D+00 0.184D+00 0.528D+00
 Coeff:      0.152D-03 0.288D+00 0.184D+00 0.528D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.68D-07 MaxDP=1.16D-05 DE=-5.94D-08 OVMax= 1.96D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.97D-08    CP:  1.00D+00  9.76D-01  3.69D-01  6.14D-01
 E= -1013.45141562003     Delta-E=       -0.000000002011 Rises=F Damp=F
 DIIS: error= 1.23D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141562003     IErMin= 5 ErrMin= 1.23D-06
 ErrMax= 1.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.83D-10 BMatP= 2.68D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.209D-04 0.138D+00 0.101D+00 0.367D+00 0.395D+00
 Coeff:      0.209D-04 0.138D+00 0.101D+00 0.367D+00 0.395D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.15D-08 MaxDP=4.77D-06 DE=-2.01D-09 OVMax= 4.88D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.91D-08    CP:  1.00D+00  9.77D-01  3.61D-01  6.35D-01  5.87D-01
 E= -1013.45141562036     Delta-E=       -0.000000000333 Rises=F Damp=F
 DIIS: error= 6.24D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141562036     IErMin= 6 ErrMin= 6.24D-08
 ErrMax= 6.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-12 BMatP= 4.83D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-04 0.414D-01 0.317D-01 0.121D+00 0.154D+00 0.652D+00
 Coeff:     -0.134D-04 0.414D-01 0.317D-01 0.121D+00 0.154D+00 0.652D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.85D-09 MaxDP=3.23D-07 DE=-3.33D-10 OVMax= 4.06D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141562     A.U. after    6 cycles
            NFock=  6  Conv=0.78D-08     -V/T= 2.0213
 KE= 9.923507272721D+02 PE=-6.029467024629D+03 EE= 2.174704099216D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:15:19 2016, MaxMem=  2952790016 cpu:       888.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:15:27 2016, MaxMem=  2952790016 cpu:        97.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:15:27 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:16:04 2016, MaxMem=  2952790016 cpu:       440.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.25042856D+00-2.53767845D+00 3.31798087D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000062520   -0.000087625    0.000019904
      2        6           0.000020731    0.000023026    0.000008616
      3        8           0.000023485    0.000034030   -0.000006178
      4        7           0.000036344    0.000045145    0.000015828
      5        1           0.000008396    0.000017838    0.000033467
      6        6          -0.000015631    0.000000010    0.000000469
      7        1           0.000009396    0.000023689    0.000033135
      8        1          -0.000016618    0.000022988    0.000032156
      9        1           0.000010924    0.000034475    0.000045008
     10        6          -0.000011249    0.000061557    0.000026128
     11        1           0.000008691    0.000012631    0.000016413
     12        1           0.000023339    0.000029633   -0.000008173
     13        1           0.000027151    0.000036752    0.000024923
     14        6           0.000001917   -0.000004959   -0.000030192
     15        8          -0.000006222   -0.000010344   -0.000030313
     16        7           0.000006831   -0.000008360   -0.000024846
     17        1           0.000004345   -0.000004075   -0.000028255
     18        6           0.000005834    0.000009437   -0.000050365
     19        1           0.000003626    0.000013043   -0.000047481
     20        1           0.000005540   -0.000007923   -0.000052132
     21        1          -0.000011433   -0.000025308   -0.000030087
     22        6           0.000013705    0.000006718   -0.000021677
     23        1           0.000020095    0.000016423   -0.000050945
     24        1           0.000016866    0.000024562   -0.000035852
     25        1           0.000017921    0.000012038   -0.000032495
     26        6           0.000008093    0.000004043    0.000022229
     27        8          -0.000018799   -0.000004078    0.000030881
     28        7           0.000007611   -0.000021435    0.000020600
     29        1          -0.000009325    0.000004513    0.000025768
     30        6          -0.000013592   -0.000002872    0.000001417
     31        1          -0.000007495    0.000003506    0.000016877
     32        1           0.000006593    0.000006015    0.000000559
     33        1           0.000016270    0.000007980    0.000010499
     34        6           0.000000962   -0.000012331    0.000018154
     35        1          -0.000019306   -0.000019611    0.000009384
     36        1          -0.000026440   -0.000017213   -0.000000605
     37        1          -0.000012576   -0.000016047   -0.000004342
     38        6           0.000003599   -0.000004769    0.000030849
     39        8          -0.000012370   -0.000000156   -0.000028246
     40        7          -0.000025494   -0.000021272    0.000011908
     41        1          -0.000008806   -0.000026816   -0.000022799
     42        6           0.000005609    0.000002500    0.000015227
     43        1          -0.000007591   -0.000019309    0.000014285
     44        1          -0.000043030   -0.000034300    0.000033350
     45        1          -0.000021658   -0.000008003    0.000010202
     46        6          -0.000017435   -0.000021591   -0.000032507
     47        1          -0.000022476   -0.000029272   -0.000005154
     48        1          -0.000018943   -0.000009212    0.000005733
     49        1          -0.000029904   -0.000035669    0.000008676
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000087625 RMS     0.000023434
 Leave Link  716 at Mon Nov 14 04:16:04 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000026454 RMS     0.000003050
 Search for a local minimum.
 Step number  92 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .30498D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   62   67   68   74   75
                                                     76   77   78   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92
 DE= -2.84D-07 DEPred=-1.31D-07 R= 2.17D+00
 Trust test= 2.17D+00 RLast= 1.88D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1
 ITU= -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0
 ITU=  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00007   0.00055   0.00086   0.00102   0.00123
     Eigenvalues ---    0.00145   0.00191   0.00205   0.00225   0.00288
     Eigenvalues ---    0.00353   0.00387   0.00421   0.00502   0.00566
     Eigenvalues ---    0.00664   0.00766   0.00805   0.00815   0.00827
     Eigenvalues ---    0.00948   0.01045   0.01136   0.01195   0.01221
     Eigenvalues ---    0.01293   0.01305   0.01445   0.01487   0.01522
     Eigenvalues ---    0.01561   0.01679   0.01736   0.01788   0.01809
     Eigenvalues ---    0.01876   0.01915   0.01994   0.02052   0.02164
     Eigenvalues ---    0.02205   0.02332   0.02389   0.02555   0.02715
     Eigenvalues ---    0.02950   0.03092   0.03382   0.03563   0.04013
     Eigenvalues ---    0.04397   0.04785   0.04958   0.05375   0.05577
     Eigenvalues ---    0.05899   0.06147   0.06265   0.06309   0.06483
     Eigenvalues ---    0.06937   0.07184   0.07320   0.07490   0.07614
     Eigenvalues ---    0.07788   0.08036   0.08137   0.08242   0.08302
     Eigenvalues ---    0.08598   0.08766   0.08969   0.09118   0.09346
     Eigenvalues ---    0.09399   0.09773   0.09792   0.09936   0.09978
     Eigenvalues ---    0.10138   0.10398   0.10555   0.10833   0.10968
     Eigenvalues ---    0.11104   0.11345   0.11373   0.11596   0.13296
     Eigenvalues ---    0.13512   0.14215   0.14800   0.15139   0.15306
     Eigenvalues ---    0.15532   0.15841   0.20715   0.22641   0.23112
     Eigenvalues ---    0.23533   0.24671   0.24736   0.26076   0.26648
     Eigenvalues ---    0.26924   0.27325   0.28289   0.29250   0.29666
     Eigenvalues ---    0.29805   0.30637   0.32804   0.32824   0.32831
     Eigenvalues ---    0.32939   0.33305   0.33348   0.33358   0.33375
     Eigenvalues ---    0.33396   0.33422   0.33511   0.33545   0.33697
     Eigenvalues ---    0.33798   0.33821   0.33843   0.33922   0.33955
     Eigenvalues ---    0.34047   0.34202   0.34311   0.37288   0.38783
     Eigenvalues ---    0.39841   0.40823   0.85958   0.86129   0.86472
     Eigenvalues ---    0.89356
 Eigenvalue     1 is   7.37D-05 Eigenvector:
                         D399      D381      D397      D395      D383
   1                   -0.23545  -0.22861  -0.22488  -0.21881  -0.21865
                         D407      D405      D385      D403      D393
   1                   -0.21827  -0.21786  -0.21716  -0.21656  -0.21611
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    92   91   90   89   88
 RFO step:  Lambda=-2.70526573D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  6.28D-07 SmlDif=  1.00D-05
 RMS Error=  0.1808363228D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.37045   -1.64911   -0.27209    0.75177   -0.20103
 Iteration  1 RMS(Cart)=  0.00042572 RMS(Int)=  0.00000077
 Iteration  2 RMS(Cart)=  0.00000059 RMS(Int)=  0.00000013
 ITry= 1 IFail=0 DXMaxC= 3.15D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59628   0.00000  -0.00032  -0.00011  -0.00043   6.59586
    R2        6.26240   0.00001   0.00030   0.00004   0.00035   6.26275
    R3        7.25255   0.00000  -0.00007   0.00020   0.00013   7.25268
    R4        6.34790   0.00000  -0.00057   0.00038  -0.00018   6.34772
    R5        6.52863   0.00000   0.00042   0.00003   0.00044   6.52907
    R6        5.97832   0.00000   0.00016  -0.00019  -0.00003   5.97830
    R7        6.70314   0.00000   0.00033  -0.00015   0.00018   6.70332
    R8        6.23059   0.00000   0.00042  -0.00004   0.00038   6.23097
    R9        6.66357   0.00000   0.00081  -0.00003   0.00078   6.66435
   R10        6.07072   0.00000   0.00067  -0.00036   0.00032   6.07104
   R11        6.95461   0.00000   0.00019  -0.00016   0.00003   6.95464
   R12        6.02806   0.00000   0.00008  -0.00015  -0.00008   6.02799
   R13        6.88842   0.00000   0.00031  -0.00033  -0.00002   6.88840
   R14        6.19559   0.00000  -0.00015   0.00005  -0.00010   6.19549
   R15        6.86520   0.00000  -0.00020   0.00007  -0.00014   6.86506
   R16        5.95370   0.00000   0.00017   0.00021   0.00037   5.95407
   R17        6.68666   0.00000  -0.00075   0.00003  -0.00072   6.68593
   R18        6.57834   0.00000   0.00013   0.00024   0.00037   6.57871
   R19        6.22191   0.00000   0.00048   0.00004   0.00052   6.22243
   R20        6.57661   0.00000   0.00028  -0.00013   0.00015   6.57677
   R21        6.04698   0.00000   0.00060  -0.00009   0.00051   6.04749
   R22        7.00938   0.00000   0.00070  -0.00010   0.00060   7.00998
   R23        6.01881   0.00001   0.00062   0.00012   0.00074   6.01955
   R24        2.34969   0.00000   0.00000  -0.00001   0.00000   2.34969
   R25        2.57149   0.00000   0.00001  -0.00002  -0.00001   2.57149
   R26        2.09474   0.00000  -0.00001   0.00001   0.00000   2.09474
   R27        2.76525  -0.00002  -0.00010   0.00001  -0.00009   2.76516
   R28        2.76841  -0.00001  -0.00003  -0.00003  -0.00006   2.76834
   R29        2.07653   0.00000   0.00000   0.00000   0.00000   2.07653
   R30        2.08254   0.00000   0.00001   0.00003   0.00004   2.08258
   R31        2.08299   0.00000   0.00001   0.00000   0.00001   2.08300
   R32        2.08092   0.00000   0.00002   0.00000   0.00003   2.08094
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07465
   R34        2.08351   0.00000   0.00001   0.00000   0.00001   2.08351
   R35        2.34872   0.00000   0.00001   0.00000   0.00000   2.34873
   R36        2.57167   0.00000  -0.00003   0.00001  -0.00002   2.57164
   R37        2.09416   0.00000   0.00000   0.00000   0.00000   2.09417
   R38        2.76838   0.00000  -0.00008   0.00001  -0.00007   2.76830
   R39        2.76507   0.00000  -0.00005   0.00001  -0.00004   2.76502
   R40        2.08177   0.00001  -0.00002   0.00002   0.00000   2.08177
   R41        2.08407   0.00000   0.00001   0.00000   0.00001   2.08408
   R42        2.07402   0.00000   0.00000   0.00000   0.00000   2.07402
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08335   0.00001   0.00000   0.00002   0.00003   2.08338
   R45        2.07665   0.00000   0.00000   0.00000   0.00000   2.07666
   R46        2.34827   0.00000   0.00001   0.00000   0.00002   2.34828
   R47        2.57184   0.00001   0.00001  -0.00001   0.00000   2.57184
   R48        2.09358   0.00000  -0.00001   0.00000  -0.00001   2.09357
   R49        2.76533  -0.00001  -0.00001   0.00001   0.00000   2.76533
   R50        2.76875   0.00000   0.00003   0.00000   0.00003   2.76878
   R51        2.08442   0.00000   0.00000   0.00000   0.00000   2.08443
   R52        2.08219   0.00000   0.00001  -0.00003  -0.00001   2.08217
   R53        2.07602   0.00000   0.00000   0.00001   0.00001   2.07603
   R54        2.08523   0.00000   0.00000   0.00000   0.00000   2.08523
   R55        2.07387   0.00000   0.00001   0.00001   0.00001   2.07388
   R56        2.07781   0.00000  -0.00001  -0.00001  -0.00002   2.07779
   R57        2.34888   0.00003   0.00004   0.00001   0.00005   2.34893
   R58        2.57212  -0.00001  -0.00011   0.00000  -0.00011   2.57202
   R59        2.09500   0.00000   0.00000   0.00001   0.00000   2.09500
   R60        2.76957  -0.00001  -0.00005  -0.00003  -0.00007   2.76950
   R61        2.76523  -0.00001   0.00001  -0.00005  -0.00004   2.76519
   R62        2.07460   0.00000   0.00000   0.00000   0.00000   2.07460
   R63        2.08349   0.00000  -0.00001   0.00000   0.00000   2.08349
   R64        2.07997   0.00000  -0.00002  -0.00002  -0.00004   2.07993
   R65        2.07607   0.00000   0.00000   0.00001   0.00000   2.07607
   R66        2.08528   0.00000  -0.00003  -0.00001  -0.00004   2.08524
   R67        2.08221   0.00000   0.00000   0.00001   0.00001   2.08221
    A1        0.68031   0.00000   0.00000  -0.00001   0.00000   0.68030
    A2        0.95717   0.00000  -0.00002   0.00000  -0.00002   0.95715
    A3        0.72708   0.00000   0.00000   0.00000  -0.00001   0.72707
    A4        1.01889   0.00000   0.00000   0.00000   0.00000   1.01889
    A5        2.34678   0.00000   0.00003   0.00007   0.00009   2.34687
    A6        2.02759   0.00000  -0.00014  -0.00001  -0.00015   2.02744
    A7        1.98198   0.00000  -0.00043  -0.00013  -0.00057   1.98141
    A8        1.68919   0.00000  -0.00044  -0.00015  -0.00059   1.68861
    A9        1.65753   0.00000  -0.00001   0.00002   0.00001   1.65755
   A10        1.37612   0.00000  -0.00003   0.00000  -0.00003   1.37610
   A11        1.73244   0.00000   0.00020   0.00006   0.00026   1.73270
   A12        2.03669   0.00000   0.00020   0.00009   0.00029   2.03698
   A13        1.94189   0.00000   0.00018   0.00010   0.00028   1.94217
   A14        2.03030   0.00000   0.00029   0.00015   0.00043   2.03073
   A15        2.43109   0.00000   0.00022   0.00008   0.00029   2.43139
   A16        1.58929   0.00000  -0.00016  -0.00018  -0.00033   1.58896
   A17        1.78975   0.00000  -0.00014  -0.00014  -0.00028   1.78947
   A18        1.56859   0.00000  -0.00006  -0.00008  -0.00014   1.56845
   A19        1.70835   0.00000   0.00010  -0.00003   0.00007   1.70842
   A20        2.19321   0.00000  -0.00019  -0.00013  -0.00032   2.19289
   A21        2.41352   0.00000  -0.00020  -0.00013  -0.00034   2.41319
   A22        0.64309   0.00000   0.00001  -0.00003  -0.00002   0.64307
   A23        0.65901   0.00000   0.00000   0.00000   0.00000   0.65901
   A24        2.39891   0.00000   0.00035   0.00019   0.00054   2.39946
   A25        2.22623   0.00000   0.00005   0.00008   0.00013   2.22636
   A26        2.32455   0.00000  -0.00033  -0.00008  -0.00041   2.32413
   A27        2.06046   0.00000  -0.00040  -0.00012  -0.00051   2.05994
   A28        1.81851   0.00000   0.00008   0.00007   0.00016   1.81867
   A29        1.57817   0.00000   0.00002   0.00003   0.00005   1.57822
   A30        1.33919   0.00000   0.00016   0.00005   0.00021   1.33940
   A31        1.63811   0.00000   0.00019   0.00009   0.00028   1.63839
   A32        1.58852   0.00000   0.00023   0.00012   0.00035   1.58888
   A33        1.74144   0.00000   0.00037   0.00018   0.00055   1.74199
   A34        2.03464   0.00000   0.00019   0.00007   0.00026   2.03491
   A35        1.85351   0.00000  -0.00014  -0.00017  -0.00032   1.85319
   A36        1.92205   0.00000  -0.00012  -0.00012  -0.00023   1.92182
   A37        1.57422   0.00000  -0.00005  -0.00007  -0.00012   1.57410
   A38        1.59250   0.00000   0.00013  -0.00002   0.00011   1.59261
   A39        2.27752   0.00000  -0.00015  -0.00007  -0.00022   2.27730
   A40        2.37321   0.00000  -0.00012  -0.00008  -0.00019   2.37302
   A41        0.68903   0.00000  -0.00003  -0.00002  -0.00005   0.68898
   A42        0.74596   0.00000   0.00002   0.00000   0.00002   0.74598
   A43        2.66330   0.00000   0.00055   0.00024   0.00079   2.66409
   A44        2.60533   0.00000   0.00010   0.00009   0.00019   2.60552
   A45        2.66040   0.00000  -0.00045  -0.00016  -0.00061   2.65979
   A46        2.35575  -0.00001  -0.00046  -0.00018  -0.00063   2.35512
   A47        2.19744   0.00000   0.00010   0.00007   0.00017   2.19762
   A48        1.96365   0.00000   0.00002   0.00002   0.00004   1.96368
   A49        1.09710   0.00000   0.00028   0.00010   0.00038   1.09748
   A50        1.45656   0.00000   0.00029   0.00013   0.00043   1.45699
   A51        1.55813   0.00001   0.00035   0.00016   0.00051   1.55864
   A52        1.79448   0.00000   0.00046   0.00020   0.00066   1.79514
   A53        1.78246   0.00000   0.00024   0.00009   0.00033   1.78280
   A54        1.71321   0.00000  -0.00014  -0.00014  -0.00028   1.71293
   A55        1.65042   0.00000  -0.00010  -0.00008  -0.00018   1.65024
   A56        1.25054   0.00000  -0.00004  -0.00006  -0.00010   1.25044
   A57        1.21882   0.00000   0.00013   0.00000   0.00013   1.21895
   A58        1.94530   0.00000  -0.00012  -0.00003  -0.00015   1.94516
   A59        1.99546   0.00000  -0.00010  -0.00005  -0.00015   1.99531
   A60        0.83992   0.00000   0.00004  -0.00007  -0.00003   0.83989
   A61        0.77546   0.00000   0.00014  -0.00007   0.00007   0.77553
   A62        2.60202   0.00000   0.00072   0.00017   0.00089   2.60292
   A63        2.77107   0.00000   0.00042   0.00011   0.00053   2.77159
   A64        2.61370  -0.00001  -0.00053  -0.00016  -0.00070   2.61300
   A65        2.39607   0.00000   0.00024   0.00004   0.00028   2.39635
   A66        2.20260   0.00000   0.00009  -0.00001   0.00008   2.20269
   A67        0.85501   0.00000   0.00041   0.00007   0.00048   0.85548
   A68        1.23045   0.00000   0.00041   0.00010   0.00051   1.23096
   A69        1.41112   0.00001   0.00050   0.00011   0.00061   1.41173
   A70        1.68290   0.00000   0.00059   0.00013   0.00072   1.68362
   A71        1.51918   0.00000   0.00030   0.00007   0.00037   1.51955
   A72        1.72969   0.00000  -0.00023  -0.00004  -0.00026   1.72942
   A73        1.56190   0.00000  -0.00017   0.00002  -0.00015   1.56174
   A74        1.13273   0.00000  -0.00013   0.00002  -0.00011   1.13262
   A75        1.02373   0.00000   0.00007   0.00005   0.00012   1.02385
   A76        1.77961   0.00000  -0.00016   0.00006  -0.00010   1.77951
   A77        1.77204   0.00000  -0.00011   0.00001  -0.00010   1.77194
   A78        2.00106   0.00001   0.00049   0.00023   0.00072   2.00178
   A79        1.94485   0.00000   0.00025   0.00016   0.00041   1.94526
   A80        2.22234   0.00000  -0.00005   0.00006   0.00002   2.22236
   A81        2.08066   0.00000  -0.00022   0.00000  -0.00022   2.08043
   A82        1.55620   0.00000   0.00020   0.00012   0.00031   1.55651
   A83        1.39069   0.00000   0.00010   0.00007   0.00017   1.39086
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   A314       1.90209   0.00001  -0.00015   0.00005  -0.00010   1.90199
   A315       1.91134   0.00000   0.00010  -0.00007   0.00002   1.91136
   A316       1.91183  -0.00001   0.00006  -0.00006   0.00001   1.91183
   A317       1.89664   0.00000  -0.00009   0.00004  -0.00005   1.89660
   A318       1.78539   0.00000   0.00016  -0.00028  -0.00013   1.78526
   A319       1.91576   0.00000   0.00007  -0.00003   0.00004   1.91580
   A320       1.91430   0.00000  -0.00007   0.00002  -0.00006   1.91424
   A321       1.92035   0.00000  -0.00005   0.00003  -0.00002   1.92033
   A322       1.90710   0.00000   0.00008   0.00000   0.00008   1.90718
   A323       1.91058   0.00000  -0.00002  -0.00001  -0.00003   1.91056
   A324       1.89556   0.00000  -0.00001  -0.00001  -0.00001   1.89554
   A325       2.93914   0.00000  -0.00045  -0.00013  -0.00059   2.93856
   A326       3.36588   0.00000   0.00009   0.00000   0.00008   3.36597
   A327       3.08447   0.00000   0.00007  -0.00003   0.00004   3.08452
   A328       3.19487   0.00000   0.00024   0.00012   0.00036   3.19523
   A329       3.26931   0.00000   0.00020   0.00019   0.00039   3.26970
   A330       3.26065   0.00000  -0.00054  -0.00015  -0.00069   3.25995
   A331       3.69597   0.00000   0.00014  -0.00029  -0.00015   3.69582
   A332       3.21928   0.00000   0.00047   0.00012   0.00059   3.21988
   A333       2.97559   0.00000  -0.00037  -0.00015  -0.00052   2.97507
   A334       2.90861   0.00000  -0.00024  -0.00010  -0.00034   2.90827
   A335       3.22811   0.00000   0.00007   0.00006   0.00013   3.22823
   A336       3.07735   0.00000   0.00003  -0.00008  -0.00005   3.07731
   A337       3.10362   0.00000   0.00008   0.00003   0.00012   3.10373
   A338       3.04575   0.00000   0.00004   0.00002   0.00006   3.04581
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    D2       -1.36102   0.00000  -0.00009  -0.00006  -0.00015  -1.36117
    D3        2.78071   0.00000   0.00015  -0.00016  -0.00001   2.78071
    D4       -1.33832   0.00000   0.00005  -0.00015  -0.00009  -1.33841
    D5        1.66182   0.00000   0.00006  -0.00004   0.00002   1.66184
    D6       -2.45722   0.00000  -0.00003  -0.00003  -0.00007  -2.45729
    D7        1.84353   0.00000  -0.00003  -0.00007  -0.00009   1.84344
    D8       -2.27550   0.00000  -0.00012  -0.00006  -0.00018  -2.27568
    D9        0.31674   0.00000  -0.00085  -0.00041  -0.00126   0.31549
   D10        2.48089   0.00000  -0.00094  -0.00040  -0.00134   2.47955
   D11        0.03088   0.00000  -0.00049  -0.00030  -0.00079   0.03009
   D12        2.19503   0.00000  -0.00059  -0.00030  -0.00088   2.19415
   D13       -0.43857   0.00000  -0.00032  -0.00028  -0.00060  -0.43917
   D14        1.72558   0.00000  -0.00042  -0.00027  -0.00069   1.72489
   D15       -0.55966   0.00000  -0.00015  -0.00024  -0.00039  -0.56005
   D16        1.60449   0.00000  -0.00025  -0.00023  -0.00048   1.60401
   D17        0.21110   0.00000  -0.00025  -0.00020  -0.00045   0.21065
   D18        2.37525   0.00000  -0.00035  -0.00019  -0.00053   2.37472
   D19        0.14412   0.00000  -0.00012  -0.00014  -0.00026   0.14385
   D20        2.30827   0.00000  -0.00022  -0.00014  -0.00035   2.30791
   D21        2.39920   0.00000  -0.00036  -0.00019  -0.00055   2.39865
   D22       -1.71983   0.00000  -0.00046  -0.00018  -0.00064  -1.72047
   D23        2.15604   0.00000  -0.00035  -0.00019  -0.00054   2.15550
   D24       -1.96299   0.00000  -0.00044  -0.00018  -0.00063  -1.96362
   D25        1.71371   0.00000  -0.00039  -0.00021  -0.00060   1.71311
   D26       -2.40532   0.00000  -0.00049  -0.00020  -0.00069  -2.40602
   D27        1.40705   0.00000  -0.00042  -0.00021  -0.00063   1.40642
   D28       -2.71198   0.00000  -0.00052  -0.00020  -0.00072  -2.71270
   D29        2.36633   0.00000  -0.00020  -0.00013  -0.00034   2.36600
   D30       -1.75270   0.00000  -0.00030  -0.00012  -0.00042  -1.75312
   D31       -1.75014   0.00000  -0.00001  -0.00008  -0.00009  -1.75023
   D32        0.41401   0.00000  -0.00011  -0.00007  -0.00018   0.41383
   D33       -2.10036   0.00000   0.00004  -0.00003   0.00000  -2.10036
   D34        0.06379   0.00000  -0.00006  -0.00002  -0.00009   0.06371
   D35       -2.47536   0.00000   0.00002  -0.00007  -0.00004  -2.47540
   D36       -0.31121   0.00000  -0.00007  -0.00006  -0.00013  -0.31134
   D37       -2.76449   0.00000   0.00012  -0.00005   0.00007  -2.76442
   D38       -0.60034   0.00000   0.00002  -0.00004  -0.00002  -0.60036
   D39       -2.12622   0.00000   0.00005   0.00005   0.00010  -2.12612
   D40        0.03793   0.00000  -0.00005   0.00006   0.00002   0.03794
   D41       -2.36808   0.00000   0.00016   0.00004   0.00020  -2.36788
   D42       -0.20392   0.00000   0.00006   0.00005   0.00011  -0.20381
   D43        1.26322   0.00000  -0.00019   0.00009  -0.00010   1.26312
   D44       -1.92720   0.00000  -0.00066   0.00019  -0.00046  -1.92766
   D45        2.45739   0.00000  -0.00017   0.00011  -0.00006   2.45733
   D46       -0.73303   0.00000  -0.00064   0.00021  -0.00043  -0.73345
   D47        2.94343   0.00000  -0.00022   0.00010  -0.00012   2.94332
   D48       -0.24698   0.00000  -0.00069   0.00021  -0.00048  -0.24746
   D49        2.86950   0.00000  -0.00075  -0.00005  -0.00080   2.86870
   D50       -0.32091   0.00000  -0.00122   0.00006  -0.00117  -0.32208
   D51        2.04896   0.00000  -0.00108  -0.00029  -0.00137   2.04759
   D52       -1.14145  -0.00001  -0.00155  -0.00018  -0.00173  -1.14319
   D53        1.15414   0.00000  -0.00077  -0.00030  -0.00107   1.15308
   D54       -2.03627   0.00000  -0.00124  -0.00019  -0.00143  -2.03770
   D55        1.01477   0.00000  -0.00031  -0.00011  -0.00042   1.01435
   D56       -2.17564   0.00000  -0.00078   0.00000  -0.00078  -2.17642
   D57        2.02340   0.00000  -0.00048  -0.00004  -0.00052   2.02288
   D58       -1.16701   0.00000  -0.00095   0.00006  -0.00088  -1.16790
   D59        1.82745   0.00000  -0.00033   0.00001  -0.00031   1.82713
   D60       -1.36297   0.00000  -0.00080   0.00012  -0.00068  -1.36364
   D61       -2.27843   0.00000  -0.00053  -0.00002  -0.00055  -2.27899
   D62        0.81434   0.00000  -0.00100   0.00008  -0.00092   0.81342
   D63       -2.41268   0.00000  -0.00041   0.00002  -0.00040  -2.41307
   D64        0.68009   0.00000  -0.00088   0.00012  -0.00076   0.67933
   D65       -2.81539   0.00000  -0.00040   0.00003  -0.00037  -2.81576
   D66        0.27739   0.00000  -0.00088   0.00014  -0.00074   0.27665
   D67       -2.99143   0.00000  -0.00031   0.00008  -0.00023  -2.99166
   D68        0.10134   0.00000  -0.00078   0.00019  -0.00059   0.10074
   D69       -2.13587   0.00000  -0.00027   0.00007  -0.00020  -2.13608
   D70        0.95690   0.00000  -0.00074   0.00017  -0.00057   0.95633
   D71       -0.15954   0.00000  -0.00011   0.00019   0.00009  -0.15946
   D72        2.93323   0.00000  -0.00058   0.00030  -0.00028   2.93295
   D73       -0.55799   0.00000  -0.00008   0.00020   0.00012  -0.55786
   D74        2.53478   0.00000  -0.00055   0.00031  -0.00024   2.53454
   D75       -0.72587   0.00000  -0.00014   0.00014   0.00000  -0.72586
   D76        2.36691   0.00000  -0.00061   0.00024  -0.00036   2.36654
   D77       -1.06370   0.00000  -0.00013   0.00012  -0.00001  -1.06371
   D78        2.02907   0.00000  -0.00060   0.00023  -0.00038   2.02869
   D79       -0.84287   0.00000  -0.00003   0.00026   0.00024  -0.84263
   D80        2.24991   0.00000  -0.00050   0.00037  -0.00013   2.24978
   D81       -1.14594   0.00000   0.00004   0.00025   0.00028  -1.14565
   D82        1.94684   0.00000  -0.00043   0.00035  -0.00008   1.94675
   D83       -1.53416   0.00000   0.00009   0.00007   0.00016  -1.53401
   D84       -2.61008   0.00000   0.00006   0.00007   0.00013  -2.60995
   D85       -2.94850   0.00000   0.00017  -0.00001   0.00016  -2.94834
   D86        0.73578   0.00000  -0.00039  -0.00008  -0.00047   0.73531
   D87        0.31175   0.00000  -0.00039  -0.00012  -0.00051   0.31124
   D88       -0.06452  -0.00001  -0.00061  -0.00024  -0.00085  -0.06538
   D89       -0.40223  -0.00001  -0.00041  -0.00021  -0.00062  -0.40285
   D90        0.18392   0.00000  -0.00015  -0.00003  -0.00018   0.18374
   D91       -0.05465   0.00000  -0.00006  -0.00001  -0.00007  -0.05472
   D92        2.40102   0.00000  -0.00041  -0.00010  -0.00051   2.40051
   D93        2.05349   0.00000  -0.00033  -0.00009  -0.00042   2.05307
   D94        1.65901   0.00000  -0.00037  -0.00010  -0.00047   1.65853
   D95        1.37228   0.00000  -0.00030  -0.00006  -0.00036   1.37192
   D96        2.05713   0.00000  -0.00017  -0.00002  -0.00019   2.05694
   D97       -1.89504   0.00000   0.00004   0.00008   0.00012  -1.89492
   D98       -2.43581   0.00000   0.00017   0.00018   0.00035  -2.43546
   D99       -2.65246   0.00000   0.00010   0.00010   0.00020  -2.65227
   D100      -2.98173   0.00000   0.00007   0.00008   0.00015  -2.98158
   D101      -2.90925   0.00001   0.00039   0.00038   0.00076  -2.90849
   D102       2.83833   0.00001   0.00049   0.00034   0.00082   2.83916
   D103      -2.89982   0.00000   0.00094   0.00034   0.00128  -2.89854
   D104       1.19751   0.00000   0.00099   0.00034   0.00133   1.19884
   D105       2.80946   0.00000   0.00086   0.00028   0.00114   2.81060
   D106       0.62360   0.00000   0.00091   0.00028   0.00119   0.62479
   D107       2.30588   0.00000   0.00084   0.00023   0.00107   2.30695
   D108       0.12002   0.00000   0.00089   0.00023   0.00112   0.12114
   D109       1.74415   0.00000   0.00015   0.00003   0.00018   1.74433
   D110      -0.44171   0.00000   0.00020   0.00003   0.00023  -0.44148
   D111       2.58988   0.00000   0.00051   0.00015   0.00065   2.59054
   D112       0.40403   0.00000   0.00055   0.00015   0.00070   0.40473
   D113       2.25254   0.00000   0.00044   0.00012   0.00056   2.25310
   D114       0.06668   0.00000   0.00049   0.00012   0.00061   0.06729
   D115      -1.61118   0.00000  -0.00008  -0.00001  -0.00008  -1.61127
   D116       2.48614   0.00000  -0.00003  -0.00001  -0.00004   2.48611
   D117      -1.77066   0.00000  -0.00004   0.00003   0.00000  -1.77067
   D118       2.32667   0.00000   0.00001   0.00003   0.00005   2.32671
   D119      -2.73512   0.00000   0.00001   0.00000   0.00001  -2.73511
   D120       1.36221   0.00000   0.00006   0.00000   0.00006   1.36227
   D121      -2.69592   0.00000   0.00008   0.00002   0.00010  -2.69582
   D122       1.40141   0.00000   0.00013   0.00002   0.00015   1.40156
   D123       1.32771   0.00000   0.00042   0.00011   0.00054   1.32825
   D124      -0.85814   0.00000   0.00047   0.00012   0.00059  -0.85756
   D125       1.29834   0.00000   0.00048   0.00014   0.00062   1.29896
   D126      -0.88752   0.00000   0.00053   0.00014   0.00067  -0.88684
   D127       1.65490   0.00000   0.00051   0.00015   0.00066   1.65557
   D128      -0.53095   0.00000   0.00056   0.00015   0.00071  -0.53024
   D129       1.77939   0.00000   0.00039   0.00011   0.00049   1.77988
   D130      -0.40647   0.00000   0.00043   0.00011   0.00054  -0.40592
   D131       0.89813   0.00000   0.00046   0.00016   0.00062   0.89875
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   D417       0.25037   0.00000   0.00043   0.00017   0.00061   0.25097
   D418      -0.23874   0.00000   0.00033   0.00015   0.00048  -0.23826
   D419       0.07012   0.00000   0.00028   0.00015   0.00042   0.07054
   D420      -2.55694   0.00000   0.00037   0.00008   0.00045  -2.55649
   D421      -2.17533   0.00000   0.00035   0.00011   0.00046  -2.17487
   D422      -1.92695   0.00000   0.00040   0.00014   0.00054  -1.92642
   D423      -1.61197   0.00000   0.00048   0.00017   0.00066  -1.61131
   D424      -1.96531   0.00000   0.00030   0.00006   0.00037  -1.96495
   D425       1.30661   0.00000   0.00004   0.00011   0.00016   1.30676
   D426       2.47180   0.00000   0.00008   0.00009   0.00017   2.47197
   D427       2.94758   0.00000   0.00017   0.00009   0.00026   2.94784
   D428      -3.07259   0.00000   0.00030  -0.00024   0.00007  -3.07253
   D429       0.02921  -0.00001  -0.00009  -0.00024  -0.00033   0.02888
   D430       0.04031  -0.00001   0.00022  -0.00025  -0.00003   0.04028
   D431      -3.14107  -0.00001  -0.00017  -0.00026  -0.00043  -3.14150
   D432      -0.08218   0.00000  -0.00092   0.00024  -0.00068  -0.08286
   D433       2.01723   0.00000  -0.00078   0.00022  -0.00056   2.01667
   D434      -2.17928   0.00000  -0.00091   0.00023  -0.00068  -2.17996
   D435       3.09717   0.00000  -0.00055   0.00024  -0.00031   3.09686
   D436      -1.08661   0.00000  -0.00041   0.00022  -0.00019  -1.08680
   D437       1.00007   0.00000  -0.00054   0.00023  -0.00030   0.99976
   D438      -2.37222   0.00001   0.00048   0.00020   0.00068  -2.37154
   D439      -0.28210   0.00001   0.00054   0.00021   0.00075  -0.28135
   D440       1.82522   0.00001   0.00052   0.00021   0.00073   1.82595
   D441       0.73156   0.00001   0.00011   0.00020   0.00031   0.73187
   D442       2.82168   0.00001   0.00016   0.00021   0.00037   2.82206
   D443      -1.35418   0.00000   0.00015   0.00021   0.00036  -1.35382
   D444      -0.00095   0.00000  -0.00015   0.00012  -0.00003  -0.00098
   D445       3.11508  -0.00001  -0.00004  -0.00001  -0.00005   3.11503
   D446      -3.12079   0.00000  -0.00013   0.00012  -0.00001  -3.12080
   D447      -0.00476   0.00000  -0.00002  -0.00001  -0.00003  -0.00479
   D448       2.42088   0.00000  -0.00004  -0.00026  -0.00030   2.42058
   D449      -1.77832   0.00000  -0.00009  -0.00028  -0.00037  -1.77869
   D450       0.32922  -0.00001  -0.00011  -0.00028  -0.00040   0.32882
   D451      -0.69637   0.00000  -0.00014  -0.00014  -0.00029  -0.69666
   D452       1.38761   0.00000  -0.00019  -0.00016  -0.00035   1.38726
   D453      -2.78803  -0.00001  -0.00022  -0.00016  -0.00038  -2.78841
   D454       2.05408   0.00000   0.00003   0.00004   0.00007   2.05415
   D455      -2.14472   0.00000  -0.00006   0.00004  -0.00002  -2.14475
   D456      -0.05157   0.00000  -0.00007   0.00005  -0.00002  -0.05159
   D457      -1.11182   0.00000   0.00013  -0.00008   0.00006  -1.11176
   D458       0.97257   0.00000   0.00004  -0.00008  -0.00004   0.97253
   D459       3.06572   0.00000   0.00003  -0.00007  -0.00003   3.06569
   D460      -3.08264   0.00000  -0.00060  -0.00007  -0.00067  -3.08331
   D461      -0.02729   0.00000  -0.00051   0.00012  -0.00039  -0.02768
   D462       0.07161   0.00001  -0.00066  -0.00016  -0.00083   0.07079
   D463       3.12696   0.00001  -0.00058   0.00003  -0.00054   3.12642
   D464       1.93033   0.00001  -0.00071  -0.00003  -0.00075   1.92958
   D465      -2.26996   0.00001  -0.00066   0.00001  -0.00065  -2.27061
   D466      -0.17711   0.00001  -0.00082  -0.00003  -0.00085  -0.17795
   D467      -1.12846   0.00001  -0.00079  -0.00022  -0.00101  -1.12947
   D468       0.95444   0.00000  -0.00074  -0.00018  -0.00091   0.95353
   D469       3.04729   0.00001  -0.00089  -0.00022  -0.00111   3.04618
   D470      -1.63546   0.00000   0.00064  -0.00003   0.00061  -1.63485
   D471       0.46890   0.00001   0.00058  -0.00001   0.00057   0.46947
   D472       2.56033   0.00000   0.00063  -0.00007   0.00056   2.56089
   D473       1.42371   0.00000   0.00072   0.00015   0.00087   1.42458
   D474      -2.75512   0.00001   0.00066   0.00017   0.00083  -2.75428
   D475      -0.66369   0.00000   0.00071   0.00012   0.00083  -0.66286
   D476       0.00404   0.00000  -0.00028   0.00004  -0.00024   0.00380
   D477      -3.04535   0.00000  -0.00019   0.00005  -0.00013  -3.04548
   D478       3.11754  -0.00001  -0.00022  -0.00009  -0.00031   3.11723
   D479       0.06814   0.00000  -0.00012  -0.00008  -0.00020   0.06794
   D480      -0.30590  -0.00001  -0.00019  -0.00011  -0.00031  -0.30620
   D481       1.80219   0.00000  -0.00002  -0.00018  -0.00020   1.80199
   D482      -2.39733   0.00000  -0.00019  -0.00009  -0.00027  -2.39761
   D483       2.74816  -0.00001  -0.00027  -0.00013  -0.00040   2.74776
   D484      -1.42694   0.00000  -0.00010  -0.00020  -0.00030  -1.42724
   D485       0.65672   0.00000  -0.00026  -0.00011  -0.00037   0.65635
   D486      -0.09228   0.00000  -0.00019   0.00037   0.00018  -0.09209
   D487       2.00321   0.00000  -0.00010   0.00036   0.00027   2.00347
   D488      -2.19585   0.00000  -0.00018   0.00038   0.00020  -2.19565
   D489       3.13677   0.00000  -0.00011   0.00039   0.00028   3.13705
   D490      -1.05093   0.00000  -0.00002   0.00038   0.00036  -1.05057
   D491       1.03319   0.00000  -0.00010   0.00040   0.00030   1.03349
         Item               Value     Threshold  Converged?
 Maximum Force            0.000026     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.003149     0.001800     NO 
 RMS     Displacement     0.000426     0.001200     YES
 Predicted change in Energy=-1.141608D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:16:05 2016, MaxMem=  2952790016 cpu:         7.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.823716   -0.586077    1.667578
      2          6           0       -2.068972    1.118059   -1.368620
      3          8           0       -2.619213    0.137974   -1.900329
      4          7           0       -0.776857    1.164632   -0.944394
      5          1           0       -2.616753    2.059814   -1.164224
      6          6           0       -0.237002    2.334689   -0.251102
      7          1           0       -0.993157    3.131646   -0.227304
      8          1           0        0.041734    2.062563    0.779807
      9          1           0        0.660804    2.698915   -0.776741
     10          6           0        0.132988    0.028901   -1.112781
     11          1           0        0.700773   -0.118795   -0.180889
     12          1           0       -0.449352   -0.875013   -1.334380
     13          1           0        0.843065    0.222005   -1.933823
     14          6           0       -2.008514   -3.996764    2.624659
     15          8           0       -2.131953   -3.843497    3.851873
     16          7           0       -2.947383   -3.685910    1.689875
     17          1           0       -1.078330   -4.395244    2.172945
     18          6           0       -4.246300   -3.118682    2.060102
     19          1           0       -4.506245   -2.323844    1.342998
     20          1           0       -5.031431   -3.892578    2.029635
     21          1           0       -4.185599   -2.697623    3.071826
     22          6           0       -2.697772   -3.872347    0.260242
     23          1           0       -3.406446   -4.605220   -0.159274
     24          1           0       -2.832618   -2.913353   -0.266637
     25          1           0       -1.669254   -4.228197    0.108112
     26          6           0        1.563903    0.375570    2.609188
     27          8           0        1.399216    1.394057    3.301836
     28          7           0        1.177946   -0.883645    2.952152
     29          1           0        2.046029    0.413719    1.612454
     30          6           0        1.478559   -2.036400    2.102337
     31          1           0        2.227207   -2.685833    2.586528
     32          1           0        0.562360   -2.625916    1.937721
     33          1           0        1.863932   -1.688993    1.133991
     34          6           0        0.536480   -1.155995    4.240984
     35          1           0        1.284276   -1.460136    4.993258
     36          1           0        0.019076   -0.251913    4.586418
     37          1           0       -0.189310   -1.972075    4.113760
     38          6           0       -4.608963    1.094008    2.908225
     39          8           0       -4.855963    1.671174    1.835415
     40          7           0       -3.538612    1.344393    3.710797
     41          1           0       -5.250486    0.278569    3.298819
     42          6           0       -2.540868    2.362753    3.371226
     43          1           0       -2.621378    2.615001    2.305807
     44          1           0       -2.692646    3.271200    3.977254
     45          1           0       -1.536652    1.963599    3.580166
     46          6           0       -3.261985    0.534885    4.897960
     47          1           0       -4.076177   -0.185987    5.054094
     48          1           0       -2.312877   -0.011391    4.762299
     49          1           0       -3.170793    1.183433    5.784055
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490376   0.000000
     3  O    3.726530   1.243401   0.000000
     4  N    3.314105   1.360772   2.315624   0.000000
     5  H    3.955850   1.108487   2.057991   2.057886   0.000000
     6  C    3.837951   2.466810   3.635992   1.463260   2.563702
     7  H    4.254629   2.552355   3.795412   2.104791   2.159331
     8  H    3.359067   3.156408   4.238846   2.109322   3.293452
     9  H    4.789437   3.209534   4.310381   2.109265   3.361693
    10  C    3.455038   2.469889   2.864741   1.464944   3.418821
    11  H    3.163578   3.257606   3.747627   2.100837   4.088920
    12  H    3.314229   2.568400   2.460638   2.102262   3.652368
    13  H    4.553549   3.098763   3.463460   2.119355   3.992514
    14  C    3.547244   6.489326   6.159913   6.394930   7.169918
    15  O    3.934075   7.202399   7.012657   7.065538   7.761788
    16  N    3.297285   5.762301   5.255411   5.931131   6.424059
    17  H    3.914173   6.627259   6.286171   6.381293   7.427733
    18  C    3.526624   5.869145   5.379427   6.277803   6.314153
    19  H    3.212654   5.013967   4.487829   5.595531   5.391920
    20  H    4.620981   6.740236   6.124439   7.247180   7.173728
    21  H    3.465405   6.225520   5.934349   6.531964   6.560381
    22  C    3.680236   5.287034   4.555975   5.523786   6.101327
    23  H    4.689983   6.000607   5.113599   6.389237   6.786474
    24  H    3.189872   4.248506   3.467721   4.616868   5.058128
    25  H    3.964951   5.560842   4.898950   5.566574   6.485035
    26  C    3.645184   5.438018   6.155539   4.327785   5.878198
    27  O    4.120561   5.823887   6.692386   4.776860   6.042924
    28  N    3.278514   5.763538   6.245694   4.816613   6.325207
    29  H    3.997194   5.129925   5.846380   3.882013   5.671076
    30  C    3.632833   5.880743   6.127069   4.961459   6.649885
    31  H    4.654398   6.969214   7.182865   6.026433   7.749404
    32  H    3.150760   5.645632   5.700187   4.946549   6.456384
    33  H    3.885858   5.441539   5.713449   4.408699   6.277889
    34  C    3.538044   6.589944   7.024847   5.830807   7.035665
    35  H    4.635056   7.639690   8.081629   6.811269   8.094608
    36  H    3.468022   6.457495   7.013592   5.764546   6.735099
    37  H    3.252089   6.567995   6.820997   5.980724   7.071473
    38  C    3.481305   4.974288   5.291059   5.434399   4.635356
    39  O    3.783896   4.282417   4.616225   4.962159   3.763368
    40  N    3.292768   5.292594   5.812528   5.415755   5.012732
    41  H    3.892469   5.710672   5.828766   6.229232   5.479794
    42  C    3.480276   4.923220   5.722332   4.813710   4.546190
    43  H    3.360134   4.005921   4.881317   4.008694   3.514167
    44  H    4.579107   5.796840   6.660967   5.685991   5.282803
    45  H    3.200195   5.048642   5.877131   4.656960   4.866735
    46  C    3.709520   6.405732   6.840134   6.380089   6.284251
    47  H    4.086826   6.854245   7.112785   6.977933   6.770600
    48  H    3.185410   6.238855   6.671339   6.025672   6.285372
    49  H    4.678799   7.237337   7.774766   7.141660   7.025211
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098853   0.000000
     8  H    1.102053   1.796722   0.000000
     9  H    1.102276   1.795752   1.791936   0.000000
    10  C    2.489186   3.417500   2.779569   2.742351   0.000000
    11  H    2.627534   3.665640   2.472972   2.880300   1.101188
    12  H    3.394227   4.192215   3.652439   3.783698   1.097855
    13  H    2.908871   3.840564   3.375437   2.739916   1.102546
    14  C    7.176040   7.744603   6.657510   7.970376   5.895801
    15  O    7.654752   8.160219   7.003146   8.486856   6.691279
    16  N    6.881945   7.346676   6.542781   7.737519   5.580625
    17  H    7.202488   7.900792   6.700645   7.877330   5.642370
    18  C    7.152300   7.408223   6.846290   8.122302   6.257206
    19  H    6.516865   6.676078   6.343648   7.511312   5.752282
    20  H    8.183347   8.410776   7.922296   9.150140   7.205831
    21  H    7.208150   7.419995   6.766319   8.211073   6.602656
    22  C    6.696578   7.224910   6.557285   7.452305   5.011798
    23  H    7.629951   8.104795   7.565128   8.382970   5.908625
    24  H    5.854862   6.318796   5.840949   6.630366   4.262351
    25  H    6.726950   7.398439   6.553802   7.361862   4.781374
    26  C    3.906746   4.709586   2.917118   4.204526   4.002593
    27  O    4.023103   4.604073   2.941136   4.345422   4.791224
    28  N    4.756111   5.562840   3.832780   5.196809   4.295155
    29  H    3.517840   4.473084   2.725653   3.584581   3.351823
    30  C    5.252451   6.184279   4.540380   5.601877   4.051298
    31  H    6.271372   7.220211   5.530623   6.539167   5.043849
    32  H    5.480650   6.344800   4.857330   5.977610   4.066691
    33  H    4.745780   5.766684   4.185693   4.934790   3.315918
    34  C    5.741253   6.378813   4.752224   6.328772   5.498143
    35  H    6.649684   7.316108   5.630852   7.139981   6.389555
    36  H    5.491601   5.970343   4.455064   6.154890   5.707250
    37  H    6.132088   6.748257   5.238981   6.815999   5.605757
    38  C    5.534860   5.201689   5.205501   6.627605   6.307856
    39  O    5.111615   4.616174   5.025428   6.189857   6.023168
    40  N    5.251472   5.018193   4.682451   6.293475   6.203070
    41  H    6.478009   6.220808   6.126635   7.577046   6.964650
    42  C    4.293000   3.991996   3.670886   5.250652   5.718627
    43  H    3.507364   3.055270   3.118658   4.503539   5.095213
    44  H    4.978577   4.537185   4.377363   5.845820   6.663721
    45  H    4.062685   4.019521   3.216070   4.934789   5.343642
    46  C    6.237199   6.177304   5.496139   7.230044   6.921768
    47  H    7.016992   6.957361   6.346866   8.047379   7.469512
    48  H    5.911644   6.042887   5.070081   6.846131   6.363996
    49  H    6.808498   6.683866   6.011297   7.747379   7.733968
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795883   0.000000
    13  H    1.791416   1.798088   0.000000
    14  C    5.499998   5.277339   6.834418   0.000000
    15  O    6.177452   6.208081   7.671592   1.242892   0.000000
    16  N    5.434437   4.825704   6.539914   1.360855   2.316030
    17  H    5.195551   5.008888   6.471189   1.108185   2.057509
    18  C    6.204425   5.565373   7.281021   2.469299   2.864657
    19  H    5.856407   5.072066   6.770083   3.268024   3.773733
    20  H    7.210133   6.435662   8.194418   3.082684   3.424899
    21  H    6.411485   6.057731   7.672562   2.574379   2.477694
    22  C    5.082701   4.072127   5.840818   2.465973   3.636041
    23  H    6.082576   4.903032   6.671542   3.174070   4.277131
    24  H    4.505747   3.312833   5.110834   3.195703   4.279979
    25  H    4.752655   3.848738   5.503230   2.549837   3.791811
    26  C    2.962081   4.600966   4.602406   5.646212   5.744924
    27  O    3.860818   5.482735   5.393990   6.413434   6.340636
    28  N    3.260159   4.585033   5.020693   4.466798   4.530524
    29  H    2.304206   4.070821   3.749661   6.075873   6.371375
    30  C    3.081442   4.108124   4.668494   4.034293   4.400258
    31  H    4.071644   5.080999   5.550220   4.434109   4.684395
    32  H    3.285319   3.846540   4.814385   2.993410   3.522187
    33  H    2.355286   3.479469   3.755738   4.748024   5.291112
    34  C    4.544858   5.668818   6.334123   4.142398   3.807179
    35  H    5.376939   6.586869   7.142039   4.784057   4.319003
    36  H    4.817639   5.971895   6.589165   4.688659   4.250407
    37  H    4.761397   5.563578   6.515600   3.102626   2.710105
    38  C    6.261534   6.259322   7.343734   5.723522   5.604017
    39  O    6.176308   5.995740   6.984710   6.391901   6.472861
    40  N    5.937888   6.318473   7.233297   5.661170   5.377062
    41  H    6.905342   6.771129   8.032130   5.407712   5.198322
    42  C    5.411454   6.082788   6.646605   6.425280   6.238251
    43  H    4.969304   5.490798   5.975220   6.647760   6.658983
    44  H    6.348032   7.101895   7.532574   7.424342   7.137858
    45  H    4.846438   5.778642   6.253021   6.054880   5.843850
    46  C    6.474986   6.981460   7.976377   5.222540   4.641282
    47  H    7.087229   7.378430   8.555489   4.969850   4.313088
    48  H    5.790399   6.433356   7.406247   4.532696   3.942924
    49  H    7.229480   7.894021   8.752202   6.177954   5.484756
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056664   0.000000
    18  C    1.464924   3.417364   0.000000
    19  H    2.098952   4.090246   1.101625   0.000000
    20  H    2.121652   3.987508   1.102848   1.791149   0.000000
    21  H    2.102304   3.653084   1.097524   1.797601   1.797084
    22  C    1.463186   2.560165   2.491073   2.615492   2.928673
    23  H    2.115472   3.302038   2.800140   2.944666   2.817758
    24  H    2.106645   3.350385   2.730270   2.395720   3.326639
    25  H    2.104677   2.154212   3.417961   3.633184   3.887046
    26  C    6.139419   5.471049   6.802187   6.762897   7.877272
    27  O    6.877311   6.397549   7.333387   7.248055   8.421415
    28  N    5.144353   4.246089   5.934103   6.080590   6.961399
    29  H    6.461200   5.762108   7.229913   7.106275   8.295099
    30  C    4.741305   3.479484   5.826416   6.039628   6.769834
    31  H    5.346075   3.744290   6.509283   6.856878   7.379308
    32  H    3.674685   2.424400   4.835391   5.112309   5.736147
    33  H    5.238839   4.130390   6.343235   6.405145   7.294107
    34  C    5.004590   4.168588   5.611004   5.932223   6.586394
    35  H    5.811484   4.706478   6.476221   6.899313   7.388369
    36  H    5.383510   4.918978   5.726610   5.940640   6.730468
    37  H    4.052088   3.229376   4.689497   5.141672   5.610530
    38  C    5.205078   6.567944   4.312492   3.760611   5.080988
    39  O    5.688779   7.154429   4.833725   4.040414   5.569905
    40  N    5.453221   6.431283   4.810889   4.471996   5.699182
    41  H    4.859021   6.365454   3.752882   3.339414   4.365465
    42  C    6.291146   7.017508   5.888435   5.471801   6.865270
    43  H    6.339332   7.179288   5.964551   5.373260   6.945014
    44  H    7.327917   8.039646   6.849810   6.444607   7.783498
    45  H    6.122117   6.528799   5.956707   5.674995   6.993743
    46  C    5.310922   6.041541   4.729784   4.728453   5.564230
    47  H    4.984136   5.916583   4.194476   4.304373   4.878389
    48  H    4.831612   5.238991   4.549203   4.674390   5.470064
    49  H    6.365746   6.967076   5.790745   5.814414   6.582061
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390960   0.000000
    23  H    3.832233   1.102414   0.000000
    24  H    3.608661   1.102476   1.789754   0.000000
    25  H    4.178308   1.098919   1.797631   1.795179   0.000000
    26  C    6.535697   6.459429   7.561550   6.198128   6.156571
    27  O    6.927114   7.332913   8.430006   7.014000   7.157173
    28  N    5.663255   5.585687   6.674409   5.528556   5.232699
    29  H    7.116418   6.534713   7.619596   6.196901   6.133005
    30  C    5.784446   4.919934   5.964646   4.996732   4.323151
    31  H    6.431153   5.574480   6.554503   5.813272   4.868658
    32  H    4.882055   3.872465   4.905758   4.058040   3.300739
    33  H    6.431902   5.132213   6.160666   5.051574   4.470278
    34  C    5.103095   5.803900   6.841497   5.895572   5.602171
    35  H    5.928137   6.639044   7.644803   6.835726   6.344301
    36  H    5.094584   6.261358   7.294318   6.226360   6.222260
    37  H    4.193135   4.975240   5.961731   5.202015   4.829652
    38  C    3.818699   5.943832   6.583069   5.412402   6.693907
    39  O    4.589606   6.153826   6.743368   5.434192   6.923964
    40  N    4.143038   6.310920   7.098790   5.869141   6.894026
    41  H    3.169105   5.742770   6.261813   5.361617   6.581549
    42  C    5.329370   6.969886   7.859154   6.415331   7.405961
    43  H    5.590845   6.802636   7.669717   6.101213   7.250225
    44  H    6.218967   8.052730   8.925154   7.501927   8.500503
    45  H    5.385380   6.813835   7.786458   6.345241   7.100076
    46  C    3.825825   6.422651   7.212293   6.224770   6.940201
    47  H    3.201511   6.202440   6.867122   6.106975   6.826089
    48  H    3.685190   5.943369   6.820633   5.829383   6.313253
    49  H    4.842377   7.503144   8.299831   7.314977   7.984779
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242657   0.000000
    28  N    1.360960   2.314988   0.000000
    29  H    1.107872   2.057533   2.057064   0.000000
    30  C    2.466127   3.634987   1.463351   2.562243   0.000000
    31  H    3.132519   4.224067   2.117194   3.254054   1.103031
    32  H    3.234637   4.326814   2.107966   3.398007   1.101838
    33  H    2.555121   3.797461   2.103537   2.164135   1.098589
    34  C    2.462529   2.851154   1.465176   3.413489   2.497285
    35  H    3.021887   3.319720   2.123620   3.939726   2.954192
    36  H    2.586438   2.502829   2.100688   3.660063   3.388973
    37  H    3.293771   3.809656   2.098428   4.116465   2.613761
    38  C    6.221724   6.028529   6.115664   6.814010   6.892520
    39  O    6.594846   6.430742   6.646973   7.019145   7.344625
    40  N    5.309220   4.954983   5.271206   6.037997   6.260104
    41  H    6.849884   6.742615   6.541839   7.490075   7.216003
    42  C    4.623716   4.058010   4.954221   5.285039   6.092489
    43  H    4.756434   4.318327   5.205108   5.206829   6.203742
    44  H    5.326771   4.552273   5.770187   6.017684   7.006060
    45  H    3.616362   3.003525   3.983747   4.371455   5.222592
    46  C    5.343506   5.001258   5.050879   6.243736   6.074518
    47  H    6.172797   5.962120   5.701815   7.048825   6.556828
    48  H    4.451410   4.229406   4.027816   5.394655   5.054804
    49  H    5.757584   5.204878   5.586056   6.723834   6.748248
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787807   0.000000
    33  H    1.798755   1.793849   0.000000
    34  C    2.817124   2.732463   3.420470   0.000000
    35  H    2.860734   3.349106   3.909260   1.103457   0.000000
    36  H    3.846995   3.598144   4.169885   1.097450   1.796122
    37  H    2.946428   2.393253   3.629733   1.099519   1.790824
    38  C    7.818177   6.443780   7.265767   5.771858   6.752872
    39  O    8.349789   6.916190   7.545840   6.546609   7.581531
    40  N    7.123999   5.977050   6.710353   4.810344   5.724538
    41  H    8.075329   6.639112   7.692381   6.036110   6.971179
    42  C    6.988456   6.047461   6.389376   4.754802   5.645990
    43  H    7.189327   6.143199   6.325782   5.285583   6.251661
    44  H    7.850179   7.037808   7.310955   5.486061   6.263683
    45  H    6.063923   5.307271   5.557802   3.803475   4.655795
    46  C    6.771039   5.777481   6.737070   4.209398   4.965650
    47  H    7.216007   6.097628   7.274004   4.783165   5.510137
    48  H    5.700788   4.804266   5.781410   3.114599   3.884806
    49  H    7.371147   6.575854   7.431176   4.647351   5.240369
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796048   0.000000
    38  C    5.103585   5.512487   0.000000
    39  O    5.918808   6.343640   1.243001   0.000000
    40  N    3.996504   4.730662   1.361053   2.315007   0.000000
    41  H    5.450469   5.598664   1.108628   2.058288   2.058208
    42  C    3.855708   4.987175   2.470040   2.862981   1.465557
    43  H    4.515792   5.497719   2.574262   2.470921   2.104700
    44  H    4.487409   5.811821   3.091158   3.439113   2.121142
    45  H    2.888135   4.193994   3.262942   3.761316   2.099601
    46  C    3.388432   4.042419   2.466984   3.634708   1.463278
    47  H    4.122398   4.379735   2.554800   3.796974   2.106060
    48  H    2.350913   2.962165   3.151429   4.226696   2.108608
    49  H    3.697272   4.651490   3.216632   4.320815   2.111776
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419224   0.000000
    43  H    3.654751   1.097830   0.000000
    44  H    3.994829   1.102534   1.797056   0.000000
    45  H    4.087915   1.100650   1.795813   1.789923   0.000000
    46  C    2.564583   2.488378   3.384748   2.942663   2.598958
    47  H    2.162361   3.418376   4.185100   3.876324   3.639008
    48  H    3.294753   2.761090   3.609357   3.396457   2.429105
    49  H    3.364565   2.758504   3.801244   2.802129   2.852403
                   46         47         48         49
    46  C    0.000000
    47  H    1.098610   0.000000
    48  H    1.103461   1.795788   0.000000
    49  H    1.101860   1.796628   1.790980   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143830      0.1945781      0.1846636
 Leave Link  202 at Mon Nov 14 04:16:05 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1158404691 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842972804 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9315431887 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4034
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.62D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     221
 GePol: Fraction of low-weight points (<1% of avg)   =       5.48%
 GePol: Cavity surface area                          =    468.025 Ang**2
 GePol: Cavity volume                                =    458.374 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040180629 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9275251258 Hartrees.
 Leave Link  301 at Mon Nov 14 04:16:05 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:16:06 2016, MaxMem=  2952790016 cpu:        15.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:16:07 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000263   -0.000331    0.000045
         Rot=    1.000000    0.000012   -0.000009    0.000022 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:16:07 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48819468.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.04D-14 for   2344.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.59D-15 for   1363     27.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   1981.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.73D-11 for   1682   1681.
 E= -1013.45141415099    
 DIIS: error= 3.28D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141415099     IErMin= 1 ErrMin= 3.28D-05
 ErrMax= 3.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-06 BMatP= 1.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=5.42D-06 MaxDP=1.19D-04              OVMax= 2.52D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.42D-06    CP:  1.00D+00
 E= -1013.45141588105     Delta-E=       -0.000001730061 Rises=F Damp=F
 DIIS: error= 4.99D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141588105     IErMin= 2 ErrMin= 4.99D-06
 ErrMax= 4.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-08 BMatP= 1.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.317D-01 0.968D+00
 Coeff:      0.317D-01 0.968D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.46D-06 MaxDP=8.98D-05 DE=-1.73D-06 OVMax= 1.52D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.42D-06    CP:  1.00D+00  9.44D-01
 E= -1013.45141577256     Delta-E=        0.000000108487 Rises=F Damp=F
 DIIS: error= 1.35D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141588105     IErMin= 2 ErrMin= 4.99D-06
 ErrMax= 1.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-07 BMatP= 2.73D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.388D-02 0.715D+00 0.281D+00
 Coeff:      0.388D-02 0.715D+00 0.281D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.08D-06 MaxDP=7.46D-05 DE= 1.08D-07 OVMax= 1.26D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.90D-07    CP:  1.00D+00  9.67D-01  3.03D-01
 E= -1013.45141590263     Delta-E=       -0.000000130074 Rises=F Damp=F
 DIIS: error= 2.24D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141590263     IErMin= 4 ErrMin= 2.24D-06
 ErrMax= 2.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-09 BMatP= 2.73D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.799D-04 0.278D+00 0.156D+00 0.566D+00
 Coeff:      0.799D-04 0.278D+00 0.156D+00 0.566D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.82D-07 MaxDP=1.27D-05 DE=-1.30D-07 OVMax= 1.90D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.12D-07    CP:  1.00D+00  9.71D-01  3.30D-01  6.50D-01
 E= -1013.45141590481     Delta-E=       -0.000000002174 Rises=F Damp=F
 DIIS: error= 1.25D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141590481     IErMin= 5 ErrMin= 1.25D-06
 ErrMax= 1.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.34D-10 BMatP= 2.94D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.215D-04 0.137D+00 0.850D-01 0.381D+00 0.397D+00
 Coeff:      0.215D-04 0.137D+00 0.850D-01 0.381D+00 0.397D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.44D-08 MaxDP=5.17D-06 DE=-2.17D-09 OVMax= 4.55D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.28D-08    CP:  1.00D+00  9.72D-01  3.27D-01  6.62D-01  6.17D-01
 E= -1013.45141590530     Delta-E=       -0.000000000488 Rises=F Damp=F
 DIIS: error= 9.23D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141590530     IErMin= 6 ErrMin= 9.23D-08
 ErrMax= 9.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.80D-12 BMatP= 5.34D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.147D-04 0.440D-01 0.281D-01 0.133D+00 0.166D+00 0.629D+00
 Coeff:     -0.147D-04 0.440D-01 0.281D-01 0.133D+00 0.166D+00 0.629D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.71D-09 MaxDP=5.12D-07 DE=-4.88D-10 OVMax= 5.72D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141591     A.U. after    6 cycles
            NFock=  6  Conv=0.97D-08     -V/T= 2.0213
 KE= 9.923509329627D+02 PE=-6.029401541811D+03 EE= 2.174671667818D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:17:26 2016, MaxMem=  2952790016 cpu:       889.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:17:35 2016, MaxMem=  2952790016 cpu:        96.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:17:35 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:18:12 2016, MaxMem=  2952790016 cpu:       440.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24871938D+00-2.53716928D+00 3.31836643D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000036187   -0.000091729    0.000010899
      2        6           0.000015518    0.000025985    0.000011650
      3        8           0.000021607    0.000034804   -0.000007428
      4        7           0.000028443    0.000034565    0.000013769
      5        1           0.000011320    0.000020063    0.000025837
      6        6           0.000005737    0.000021342    0.000025950
      7        1           0.000005604    0.000018888    0.000037583
      8        1          -0.000023302    0.000024373    0.000026604
      9        1           0.000005185    0.000028227    0.000036433
     10        6           0.000004148    0.000045697    0.000018409
     11        1           0.000007183    0.000015886    0.000020003
     12        1           0.000020820    0.000029577   -0.000003340
     13        1           0.000025934    0.000035073    0.000024508
     14        6           0.000012023   -0.000004708   -0.000022650
     15        8          -0.000005920   -0.000010439   -0.000030419
     16        7           0.000007910   -0.000010651   -0.000028399
     17        1           0.000004263   -0.000003910   -0.000027910
     18        6          -0.000007070    0.000015054   -0.000036924
     19        1           0.000001977    0.000019067   -0.000042336
     20        1           0.000006126   -0.000007198   -0.000052273
     21        1          -0.000005604   -0.000021417   -0.000033692
     22        6           0.000020457    0.000016358   -0.000043226
     23        1           0.000020549    0.000012056   -0.000043149
     24        1           0.000020910    0.000019572   -0.000034767
     25        1           0.000017521    0.000011964   -0.000031455
     26        6           0.000007695    0.000013452    0.000037845
     27        8          -0.000006415   -0.000003246    0.000030293
     28        7           0.000010243   -0.000015537    0.000023218
     29        1          -0.000024903    0.000003976    0.000017435
     30        6          -0.000014498   -0.000001837   -0.000005009
     31        1          -0.000011172    0.000004200    0.000021507
     32        1           0.000000300    0.000001108    0.000000254
     33        1           0.000022503    0.000006518    0.000013353
     34        6           0.000005330   -0.000012771    0.000018436
     35        1          -0.000019521   -0.000019783    0.000007556
     36        1          -0.000026684   -0.000018319    0.000000782
     37        1          -0.000015930   -0.000015026   -0.000005430
     38        6          -0.000020138   -0.000003266   -0.000016805
     39        8          -0.000009226   -0.000016246   -0.000004416
     40        7           0.000000309   -0.000026151    0.000025946
     41        1          -0.000011011   -0.000021999   -0.000021804
     42        6           0.000016338    0.000014417    0.000004646
     43        1          -0.000010328   -0.000014721    0.000016433
     44        1          -0.000048982   -0.000032882    0.000032295
     45        1          -0.000008990   -0.000010084    0.000009860
     46        6          -0.000027090   -0.000022298   -0.000021658
     47        1          -0.000019826   -0.000030276   -0.000009401
     48        1          -0.000015899   -0.000020416    0.000001765
     49        1          -0.000029630   -0.000037313    0.000009219
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000091729 RMS     0.000022539
 Leave Link  716 at Mon Nov 14 04:18:12 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000019742 RMS     0.000002845
 Search for a local minimum.
 Step number  93 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .28446D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   62   68   74   75   76
                                                     78   79   80   81   82
                                                     83   84   85   86   87
                                                     88   89   90   91   92
                                                     93
 DE= -2.85D-07 DEPred=-1.14D-07 R= 2.50D+00
 Trust test= 2.50D+00 RLast= 1.77D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1
 ITU= -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1
 ITU=  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00007   0.00052   0.00083   0.00095   0.00123
     Eigenvalues ---    0.00144   0.00185   0.00204   0.00220   0.00286
     Eigenvalues ---    0.00300   0.00354   0.00425   0.00496   0.00562
     Eigenvalues ---    0.00658   0.00727   0.00797   0.00804   0.00829
     Eigenvalues ---    0.00931   0.01042   0.01131   0.01191   0.01221
     Eigenvalues ---    0.01259   0.01309   0.01407   0.01492   0.01525
     Eigenvalues ---    0.01593   0.01674   0.01736   0.01796   0.01810
     Eigenvalues ---    0.01864   0.01920   0.01992   0.02065   0.02168
     Eigenvalues ---    0.02185   0.02341   0.02400   0.02509   0.02675
     Eigenvalues ---    0.02939   0.03088   0.03213   0.03595   0.03898
     Eigenvalues ---    0.04394   0.04892   0.04965   0.05379   0.05576
     Eigenvalues ---    0.05920   0.06075   0.06273   0.06309   0.06414
     Eigenvalues ---    0.06924   0.07161   0.07411   0.07483   0.07621
     Eigenvalues ---    0.07846   0.08025   0.08111   0.08271   0.08300
     Eigenvalues ---    0.08638   0.08836   0.08915   0.09156   0.09369
     Eigenvalues ---    0.09501   0.09718   0.09784   0.09917   0.10082
     Eigenvalues ---    0.10113   0.10406   0.10563   0.10764   0.10894
     Eigenvalues ---    0.11100   0.11327   0.11382   0.11559   0.13300
     Eigenvalues ---    0.13438   0.14253   0.14868   0.15125   0.15207
     Eigenvalues ---    0.15574   0.15808   0.20780   0.22583   0.22995
     Eigenvalues ---    0.23534   0.24684   0.24755   0.25927   0.26407
     Eigenvalues ---    0.26880   0.27304   0.28315   0.29249   0.29663
     Eigenvalues ---    0.29816   0.30652   0.32804   0.32825   0.32831
     Eigenvalues ---    0.32927   0.33300   0.33343   0.33360   0.33377
     Eigenvalues ---    0.33394   0.33422   0.33516   0.33540   0.33699
     Eigenvalues ---    0.33798   0.33821   0.33840   0.33925   0.33956
     Eigenvalues ---    0.34045   0.34205   0.34296   0.37286   0.38915
     Eigenvalues ---    0.40424   0.40837   0.85959   0.86115   0.86478
     Eigenvalues ---    0.89237
 Eigenvalue     1 is   7.30D-05 Eigenvector:
                         D399      D381      D397      D383      D395
   1                   -0.23532  -0.22895  -0.22420  -0.21881  -0.21792
                         D385      D407      D405      D387      D403
   1                   -0.21751  -0.21750  -0.21672  -0.21620  -0.21541
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    93   92   91   90   89
 RFO step:  Lambda=-2.39716097D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.46D-07 SmlDif=  1.00D-05
 RMS Error=  0.1760290928D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.02153   -1.01531   -0.41311    0.51686   -0.10997
 Iteration  1 RMS(Cart)=  0.00047198 RMS(Int)=  0.00000062
 Iteration  2 RMS(Cart)=  0.00000043 RMS(Int)=  0.00000016
 ITry= 1 IFail=0 DXMaxC= 2.86D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59586   0.00000  -0.00032   0.00012  -0.00020   6.59566
    R2        6.26275   0.00000   0.00046   0.00023   0.00069   6.26344
    R3        7.25268   0.00000   0.00019  -0.00004   0.00015   7.25283
    R4        6.34772   0.00000  -0.00007  -0.00048  -0.00056   6.34716
    R5        6.52907   0.00000   0.00053  -0.00001   0.00052   6.52959
    R6        5.97830   0.00000  -0.00025  -0.00021  -0.00046   5.97784
    R7        6.70332   0.00000   0.00000  -0.00010  -0.00010   6.70322
    R8        6.23097   0.00000   0.00026  -0.00007   0.00019   6.23116
    R9        6.66435  -0.00001   0.00050  -0.00020   0.00030   6.66465
   R10        6.07104  -0.00001  -0.00001  -0.00022  -0.00024   6.07080
   R11        6.95464   0.00000   0.00000  -0.00004  -0.00004   6.95460
   R12        6.02799   0.00000  -0.00008   0.00003  -0.00005   6.02794
   R13        6.88840   0.00001  -0.00002   0.00008   0.00007   6.88847
   R14        6.19549   0.00000   0.00007   0.00006   0.00013   6.19562
   R15        6.86506   0.00000   0.00003  -0.00013  -0.00010   6.86496
   R16        5.95407   0.00000   0.00026  -0.00019   0.00007   5.95414
   R17        6.68593   0.00000  -0.00059  -0.00001  -0.00060   6.68533
   R18        6.57871   0.00000   0.00045  -0.00086  -0.00042   6.57829
   R19        6.22243   0.00000   0.00045   0.00000   0.00045   6.22288
   R20        6.57677   0.00000   0.00012   0.00013   0.00025   6.57702
   R21        6.04749   0.00000   0.00011   0.00047   0.00058   6.04807
   R22        7.00998   0.00000   0.00057   0.00019   0.00076   7.01074
   R23        6.01955   0.00000   0.00069   0.00011   0.00080   6.02035
   R24        2.34969   0.00000   0.00000   0.00000   0.00000   2.34968
   R25        2.57149   0.00000   0.00001   0.00000   0.00001   2.57150
   R26        2.09474   0.00000   0.00000   0.00000  -0.00001   2.09473
   R27        2.76516  -0.00001  -0.00010   0.00002  -0.00008   2.76508
   R28        2.76834  -0.00001  -0.00008   0.00002  -0.00006   2.76829
   R29        2.07653   0.00000   0.00001   0.00000   0.00001   2.07654
   R30        2.08258  -0.00001   0.00003  -0.00003   0.00000   2.08258
   R31        2.08300   0.00000   0.00001  -0.00001  -0.00001   2.08300
   R32        2.08094   0.00000   0.00003   0.00001   0.00004   2.08098
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07465
   R34        2.08351   0.00000   0.00001   0.00000   0.00000   2.08351
   R35        2.34873   0.00000   0.00000   0.00000   0.00001   2.34873
   R36        2.57164   0.00001  -0.00001   0.00001   0.00000   2.57164
   R37        2.09417   0.00000   0.00000   0.00000   0.00000   2.09417
   R38        2.76830   0.00001  -0.00005   0.00002  -0.00003   2.76828
   R39        2.76502   0.00001  -0.00004   0.00002  -0.00002   2.76501
   R40        2.08177   0.00001   0.00001   0.00000   0.00001   2.08178
   R41        2.08408   0.00000   0.00001   0.00000   0.00000   2.08409
   R42        2.07402   0.00000   0.00000  -0.00001  -0.00001   2.07401
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08338   0.00000   0.00003  -0.00001   0.00002   2.08339
   R45        2.07666   0.00000   0.00000   0.00000   0.00000   2.07666
   R46        2.34828   0.00000   0.00001   0.00000   0.00001   2.34830
   R47        2.57184   0.00001   0.00000   0.00001   0.00002   2.57186
   R48        2.09357   0.00000   0.00000   0.00000   0.00000   2.09357
   R49        2.76533   0.00000  -0.00001   0.00001   0.00001   2.76534
   R50        2.76878   0.00000   0.00002   0.00000   0.00003   2.76881
   R51        2.08443   0.00000   0.00000   0.00000  -0.00001   2.08442
   R52        2.08217   0.00000  -0.00002   0.00002   0.00000   2.08217
   R53        2.07603   0.00000   0.00001   0.00000   0.00002   2.07605
   R54        2.08523   0.00000   0.00000  -0.00001  -0.00001   2.08522
   R55        2.07388   0.00000   0.00002   0.00000   0.00002   2.07390
   R56        2.07779   0.00000  -0.00001   0.00000  -0.00001   2.07778
   R57        2.34893   0.00000   0.00005  -0.00003   0.00002   2.34896
   R58        2.57202   0.00001  -0.00010   0.00005  -0.00005   2.57197
   R59        2.09500   0.00000   0.00000  -0.00001   0.00000   2.09500
   R60        2.76950   0.00000  -0.00004   0.00000  -0.00004   2.76946
   R61        2.76519  -0.00001  -0.00007   0.00003  -0.00003   2.76516
   R62        2.07460   0.00000   0.00000  -0.00001   0.00000   2.07459
   R63        2.08349   0.00000  -0.00001   0.00000  -0.00001   2.08348
   R64        2.07993   0.00000  -0.00003   0.00002  -0.00002   2.07991
   R65        2.07607   0.00000   0.00000  -0.00001   0.00000   2.07607
   R66        2.08524   0.00000  -0.00004   0.00001  -0.00002   2.08521
   R67        2.08221   0.00000   0.00001  -0.00001   0.00001   2.08222
    A1        0.68030   0.00000  -0.00002  -0.00001  -0.00003   0.68028
    A2        0.95715   0.00000  -0.00004  -0.00004  -0.00008   0.95707
    A3        0.72707   0.00000  -0.00002   0.00000  -0.00002   0.72705
    A4        1.01889   0.00000   0.00000  -0.00001  -0.00001   1.01888
    A5        2.34687   0.00000   0.00008   0.00004   0.00012   2.34699
    A6        2.02744   0.00000  -0.00013  -0.00003  -0.00016   2.02728
    A7        1.98141   0.00000  -0.00047  -0.00013  -0.00061   1.98080
    A8        1.68861   0.00000  -0.00049  -0.00017  -0.00066   1.68794
    A9        1.65755   0.00000   0.00000   0.00001   0.00001   1.65755
   A10        1.37610   0.00000  -0.00004  -0.00001  -0.00004   1.37605
   A11        1.73270   0.00000   0.00019   0.00005   0.00023   1.73294
   A12        2.03698   0.00000   0.00023   0.00006   0.00030   2.03727
   A13        1.94217   0.00000   0.00027   0.00009   0.00036   1.94253
   A14        2.03073   0.00000   0.00037   0.00011   0.00048   2.03121
   A15        2.43139   0.00000   0.00021   0.00005   0.00026   2.43165
   A16        1.58896   0.00000  -0.00027  -0.00003  -0.00030   1.58866
   A17        1.78947   0.00000  -0.00023  -0.00004  -0.00027   1.78921
   A18        1.56845   0.00000  -0.00012  -0.00004  -0.00017   1.56828
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   A250       1.90930   0.00000   0.00000  -0.00002  -0.00002   1.90928
   A251       1.92816   0.00000  -0.00001   0.00003   0.00001   1.92818
   A252       1.91122   0.00000  -0.00004  -0.00001  -0.00005   1.91117
   A253       1.89823   0.00000  -0.00008   0.00000  -0.00008   1.89814
   A254       1.91294   0.00000   0.00001   0.00001   0.00002   1.91296
   A255       1.72441   0.00000  -0.00001  -0.00004  -0.00005   1.72436
   A256       1.76403   0.00000  -0.00009   0.00003  -0.00006   1.76397
   A257       2.19144   0.00000   0.00003   0.00000   0.00003   2.19147
   A258       2.12961   0.00000  -0.00001  -0.00001  -0.00002   2.12959
   A259       1.96193   0.00000  -0.00001   0.00000  -0.00001   1.96192
   A260       2.12536   0.00000   0.00009  -0.00001   0.00009   2.12545
   A261       2.12276   0.00000   0.00004   0.00001   0.00005   2.12281
   A262       2.03480   0.00000  -0.00014   0.00000  -0.00014   2.03466
   A263       1.35830   0.00000   0.00042  -0.00002   0.00040   1.35870
   A264       1.90084   0.00000  -0.00003   0.00000  -0.00003   1.90082
   A265       1.93108   0.00000  -0.00002   0.00000  -0.00002   1.93106
   A266       1.90973   0.00000   0.00005   0.00000   0.00005   1.90978
   A267       1.89688   0.00000  -0.00003  -0.00001  -0.00004   1.89684
   A268       1.91379   0.00000   0.00007   0.00000   0.00008   1.91387
   A269       1.91140   0.00000  -0.00004   0.00000  -0.00004   1.91136
   A270       2.67215   0.00000   0.00007   0.00004   0.00010   2.67225
   A271       1.69089   0.00000  -0.00011  -0.00003  -0.00014   1.69075
   A272       1.92502   0.00000   0.00005  -0.00001   0.00004   1.92506
   A273       1.91266   0.00000  -0.00004  -0.00001  -0.00005   1.91262
   A274       1.91366   0.00000   0.00005   0.00000   0.00006   1.91372
   A275       1.89418   0.00000  -0.00008   0.00000  -0.00008   1.89410
   A276       1.91103   0.00000   0.00001   0.00000   0.00001   1.91103
   A277       1.90709   0.00000   0.00000   0.00001   0.00001   1.90711
   A278       1.81012   0.00000  -0.00040   0.00001  -0.00039   1.80973
   A279       1.75291  -0.00002   0.00047  -0.00012   0.00035   1.75326
   A280       2.18987   0.00000  -0.00005   0.00002  -0.00003   2.18985
   A281       2.13049   0.00000   0.00002  -0.00003  -0.00001   2.13048
   A282       1.96275  -0.00001   0.00003   0.00000   0.00004   1.96279
   A283       2.12264   0.00000  -0.00002   0.00003   0.00001   2.12264
   A284       2.11509   0.00000  -0.00007   0.00001  -0.00006   2.11503
   A285       2.04243   0.00000   0.00011  -0.00003   0.00009   2.04252
   A286       2.70111  -0.00001   0.00040  -0.00003   0.00038   2.70149
   A287       1.65804   0.00001  -0.00044   0.00001  -0.00043   1.65762
   A288       1.92657   0.00000   0.00009  -0.00004   0.00005   1.92661
   A289       1.91497   0.00000  -0.00008   0.00001  -0.00007   1.91489
   A290       1.91223   0.00000  -0.00003   0.00000  -0.00003   1.91220
   A291       1.89119  -0.00001   0.00006  -0.00001   0.00004   1.89123
   A292       1.91243   0.00000   0.00003   0.00001   0.00004   1.91247
   A293       1.90624   0.00000  -0.00006   0.00003  -0.00003   1.90621
   A294       1.35076  -0.00001  -0.00071  -0.00015  -0.00086   1.34990
   A295       1.15387   0.00000   0.00038   0.00008   0.00046   1.15433
   A296       1.93289   0.00000   0.00004   0.00000   0.00004   1.93293
   A297       1.90727   0.00000  -0.00001   0.00000  -0.00001   1.90725
   A298       1.90200   0.00000  -0.00002  -0.00001  -0.00003   1.90197
   A299       1.90919   0.00001  -0.00002   0.00002   0.00000   1.90920
   A300       1.89827   0.00000   0.00004   0.00002   0.00006   1.89833
   A301       1.91415   0.00000  -0.00003  -0.00003  -0.00006   1.91409
   A302       1.64636   0.00000   0.00003  -0.00025  -0.00022   1.64614
   A303       1.80652   0.00000  -0.00014   0.00002  -0.00012   1.80640
   A304       2.18926   0.00000   0.00000   0.00002   0.00002   2.18928
   A305       2.13014   0.00000  -0.00001  -0.00002  -0.00003   2.13011
   A306       1.96344   0.00000   0.00001   0.00000   0.00001   1.96345
   A307       2.12538  -0.00001  -0.00001   0.00000  -0.00001   2.12537
   A308       2.12386   0.00000   0.00007  -0.00001   0.00006   2.12392
   A309       2.03050   0.00000  -0.00006  -0.00002  -0.00008   2.03043
   A310       1.30231  -0.00001  -0.00020  -0.00012  -0.00032   1.30199
   A311       3.04753   0.00001   0.00004   0.00015   0.00019   3.04772
   A312       1.91197   0.00000  -0.00001   0.00000  -0.00001   1.91196
   A313       1.92993   0.00000   0.00001   0.00010   0.00011   1.93004
   A314       1.90199   0.00000  -0.00004  -0.00003  -0.00007   1.90192
   A315       1.91136   0.00000   0.00008  -0.00006   0.00002   1.91139
   A316       1.91183  -0.00001  -0.00002   0.00004   0.00002   1.91185
   A317       1.89660   0.00001  -0.00001  -0.00006  -0.00007   1.89653
   A318       1.78526   0.00000   0.00002   0.00012   0.00014   1.78540
   A319       1.91580   0.00000   0.00005   0.00002   0.00007   1.91587
   A320       1.91424   0.00000  -0.00003  -0.00003  -0.00006   1.91418
   A321       1.92033   0.00000  -0.00002   0.00001  -0.00001   1.92032
   A322       1.90718   0.00000   0.00009  -0.00002   0.00008   1.90726
   A323       1.91056   0.00000  -0.00006   0.00000  -0.00006   1.91050
   A324       1.89554   0.00000  -0.00003   0.00002  -0.00001   1.89553
   A325       2.93856   0.00000  -0.00051  -0.00017  -0.00068   2.93787
   A326       3.36597   0.00000   0.00000  -0.00001  -0.00001   3.36596
   A327       3.08452   0.00000  -0.00004  -0.00002  -0.00006   3.08446
   A328       3.19523   0.00000   0.00048  -0.00001   0.00047   3.19570
   A329       3.26970   0.00000   0.00038  -0.00002   0.00036   3.27006
   A330       3.25995   0.00000  -0.00073  -0.00013  -0.00086   3.25909
   A331       3.69582   0.00000  -0.00004   0.00012   0.00008   3.69590
   A332       3.21988   0.00001   0.00046   0.00033   0.00079   3.22066
   A333       2.97507   0.00000  -0.00033  -0.00014  -0.00047   2.97461
   A334       2.90827   0.00000  -0.00018  -0.00009  -0.00027   2.90800
   A335       3.22823   0.00000   0.00024   0.00012   0.00036   3.22860
   A336       3.07731   0.00000  -0.00009  -0.00004  -0.00013   3.07718
   A337       3.10373   0.00000   0.00009   0.00004   0.00012   3.10386
   A338       3.04581   0.00000   0.00006   0.00000   0.00006   3.04588
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    D2       -1.36117   0.00000  -0.00016   0.00006  -0.00011  -1.36128
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    D4       -1.33841   0.00000  -0.00011   0.00017   0.00005  -1.33836
    D5        1.66184   0.00000   0.00001   0.00001   0.00002   1.66186
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    D7        1.84344   0.00000  -0.00014   0.00002  -0.00012   1.84332
    D8       -2.27568   0.00000  -0.00025   0.00003  -0.00022  -2.27590
    D9        0.31549   0.00000  -0.00098  -0.00029  -0.00127   0.31422
   D10        2.47955   0.00000  -0.00108  -0.00028  -0.00137   2.47818
   D11        0.03009   0.00000  -0.00061  -0.00019  -0.00080   0.02929
   D12        2.19415   0.00000  -0.00072  -0.00018  -0.00090   2.19325
   D13       -0.43917   0.00000  -0.00046  -0.00017  -0.00064  -0.43980
   D14        1.72489   0.00000  -0.00057  -0.00016  -0.00073   1.72416
   D15       -0.56005   0.00000  -0.00030  -0.00010  -0.00040  -0.56045
   D16        1.60401   0.00000  -0.00040  -0.00010  -0.00050   1.60351
   D17        0.21065   0.00000  -0.00034  -0.00009  -0.00043   0.21022
   D18        2.37472   0.00000  -0.00044  -0.00008  -0.00052   2.37419
   D19        0.14385   0.00000  -0.00019  -0.00004  -0.00023   0.14362
   D20        2.30791   0.00000  -0.00030  -0.00003  -0.00033   2.30758
   D21        2.39865   0.00000  -0.00047  -0.00014  -0.00061   2.39804
   D22       -1.72047   0.00000  -0.00057  -0.00013  -0.00071  -1.72118
   D23        2.15550   0.00000  -0.00042  -0.00012  -0.00054   2.15496
   D24       -1.96362   0.00000  -0.00053  -0.00011  -0.00064  -1.96426
   D25        1.71311   0.00000  -0.00048  -0.00015  -0.00063   1.71247
   D26       -2.40602   0.00000  -0.00058  -0.00015  -0.00073  -2.40675
   D27        1.40642   0.00000  -0.00050  -0.00017  -0.00066   1.40575
   D28       -2.71270   0.00000  -0.00060  -0.00016  -0.00076  -2.71347
   D29        2.36600   0.00000  -0.00019  -0.00006  -0.00025   2.36575
   D30       -1.75312   0.00000  -0.00029  -0.00006  -0.00035  -1.75347
   D31       -1.75023   0.00000  -0.00014   0.00008  -0.00005  -1.75029
   D32        0.41383   0.00000  -0.00024   0.00009  -0.00015   0.41368
   D33       -2.10036   0.00000  -0.00005   0.00002  -0.00003  -2.10039
   D34        0.06371   0.00000  -0.00016   0.00003  -0.00013   0.06358
   D35       -2.47540   0.00000  -0.00009   0.00003  -0.00005  -2.47545
   D36       -0.31134   0.00000  -0.00019   0.00004  -0.00015  -0.31149
   D37       -2.76442   0.00000  -0.00001   0.00005   0.00004  -2.76438
   D38       -0.60036   0.00000  -0.00012   0.00006  -0.00006  -0.60042
   D39       -2.12612   0.00000   0.00003  -0.00001   0.00002  -2.12610
   D40        0.03794   0.00000  -0.00008   0.00000  -0.00008   0.03787
   D41       -2.36788   0.00000   0.00014   0.00004   0.00018  -2.36770
   D42       -0.20381   0.00000   0.00003   0.00005   0.00008  -0.20373
   D43        1.26312   0.00000  -0.00008  -0.00013  -0.00020   1.26291
   D44       -1.92766   0.00000  -0.00043  -0.00034  -0.00078  -1.92844
   D45        2.45733   0.00000  -0.00005  -0.00013  -0.00018   2.45714
   D46       -0.73345   0.00000  -0.00041  -0.00035  -0.00076  -0.73421
   D47        2.94332   0.00000  -0.00013  -0.00014  -0.00028   2.94304
   D48       -0.24746   0.00000  -0.00049  -0.00036  -0.00085  -0.24831
   D49        2.86870   0.00000  -0.00064  -0.00031  -0.00095   2.86775
   D50       -0.32208   0.00000  -0.00100  -0.00053  -0.00153  -0.32360
   D51        2.04759   0.00000  -0.00107  -0.00052  -0.00159   2.04600
   D52       -1.14319   0.00000  -0.00143  -0.00074  -0.00217  -1.14535
   D53        1.15308  -0.00001  -0.00079  -0.00054  -0.00133   1.15175
   D54       -2.03770  -0.00001  -0.00115  -0.00075  -0.00190  -2.03960
   D55        1.01435   0.00000  -0.00029  -0.00030  -0.00059   1.01376
   D56       -2.17642   0.00000  -0.00065  -0.00051  -0.00117  -2.17759
   D57        2.02288   0.00000  -0.00039  -0.00028  -0.00067   2.02221
   D58       -1.16790   0.00000  -0.00075  -0.00050  -0.00125  -1.16915
   D59        1.82713   0.00000  -0.00022  -0.00022  -0.00045   1.82669
   D60       -1.36364   0.00000  -0.00058  -0.00044  -0.00102  -1.36466
   D61       -2.27899   0.00000  -0.00046  -0.00032  -0.00077  -2.27976
   D62        0.81342   0.00000  -0.00082  -0.00053  -0.00135   0.81207
   D63       -2.41307   0.00000  -0.00030  -0.00024  -0.00054  -2.41361
   D64        0.67933   0.00000  -0.00065  -0.00046  -0.00111   0.67822
   D65       -2.81576   0.00000  -0.00026  -0.00023  -0.00049  -2.81625
   D66        0.27665   0.00000  -0.00062  -0.00045  -0.00107   0.27558
   D67       -2.99166   0.00000  -0.00015  -0.00021  -0.00036  -2.99202
   D68        0.10074   0.00000  -0.00051  -0.00043  -0.00093   0.09981
   D69       -2.13608   0.00000  -0.00011  -0.00019  -0.00029  -2.13637
   D70        0.95633   0.00000  -0.00047  -0.00040  -0.00087   0.95546
   D71       -0.15946   0.00000   0.00003  -0.00008  -0.00004  -0.15950
   D72        2.93295   0.00000  -0.00033  -0.00029  -0.00062   2.93233
   D73       -0.55786   0.00000   0.00007  -0.00012  -0.00005  -0.55791
   D74        2.53454   0.00000  -0.00028  -0.00034  -0.00062   2.53392
   D75       -0.72586   0.00000  -0.00003  -0.00011  -0.00014  -0.72601
   D76        2.36654   0.00000  -0.00039  -0.00033  -0.00072   2.36583
   D77       -1.06371   0.00000  -0.00003  -0.00012  -0.00016  -1.06387
   D78        2.02869   0.00000  -0.00039  -0.00034  -0.00073   2.02796
   D79       -0.84263   0.00000   0.00018  -0.00013   0.00006  -0.84257
   D80        2.24978   0.00000  -0.00018  -0.00034  -0.00052   2.24926
   D81       -1.14565   0.00000   0.00023  -0.00010   0.00013  -1.14552
   D82        1.94675   0.00000  -0.00013  -0.00032  -0.00044   1.94631
   D83       -1.53401   0.00000   0.00025   0.00003   0.00028  -1.53373
   D84       -2.60995   0.00000   0.00023   0.00006   0.00028  -2.60967
   D85       -2.94834   0.00000   0.00026   0.00017   0.00043  -2.94791
   D86        0.73531   0.00000  -0.00024  -0.00010  -0.00035   0.73496
   D87        0.31124   0.00000  -0.00028  -0.00012  -0.00041   0.31083
   D88       -0.06538   0.00000  -0.00058  -0.00024  -0.00081  -0.06619
   D89       -0.40285  -0.00001  -0.00039  -0.00019  -0.00058  -0.40343
   D90        0.18374   0.00000  -0.00001  -0.00004  -0.00005   0.18368
   D91       -0.05472   0.00000   0.00008  -0.00001   0.00006  -0.05466
   D92        2.40051   0.00000  -0.00030  -0.00014  -0.00043   2.40007
   D93        2.05307   0.00000  -0.00020  -0.00010  -0.00031   2.05277
   D94        1.65853   0.00000  -0.00025  -0.00014  -0.00039   1.65815
   D95        1.37192   0.00000  -0.00015  -0.00011  -0.00026   1.37166
   D96        2.05694   0.00000   0.00003  -0.00004   0.00000   2.05694
   D97       -1.89492   0.00000   0.00015   0.00013   0.00028  -1.89464
   D98       -2.43546   0.00000   0.00036   0.00007   0.00043  -2.43503
   D99       -2.65227   0.00000   0.00025   0.00008   0.00033  -2.65194
   D100      -2.98158   0.00000   0.00024   0.00007   0.00031  -2.98128
   D101      -2.90849   0.00000   0.00074   0.00009   0.00082  -2.90766
   D102       2.83916   0.00000   0.00080   0.00011   0.00091   2.84007
   D103      -2.89854   0.00000   0.00100   0.00030   0.00130  -2.89724
   D104       1.19884   0.00000   0.00105   0.00031   0.00136   1.20020
   D105       2.81060   0.00000   0.00090   0.00027   0.00117   2.81177
   D106       0.62479   0.00000   0.00094   0.00029   0.00123   0.62602
   D107       2.30695   0.00000   0.00087   0.00023   0.00110   2.30805
   D108       0.12114   0.00000   0.00091   0.00024   0.00116   0.12230
   D109       1.74433   0.00000   0.00018  -0.00006   0.00012   1.74445
   D110      -0.44148   0.00000   0.00022  -0.00004   0.00018  -0.44130
   D111       2.59054   0.00000   0.00053   0.00014   0.00067   2.59121
   D112       0.40473   0.00000   0.00058   0.00015   0.00073   0.40546
   D113       2.25310   0.00000   0.00049   0.00011   0.00059   2.25369
   D114       0.06729   0.00000   0.00053   0.00012   0.00065   0.06794
   D115      -1.61127   0.00000  -0.00010  -0.00001  -0.00012  -1.61138
   D116       2.48611   0.00000  -0.00006   0.00000  -0.00006   2.48605
   D117      -1.77067   0.00000  -0.00003  -0.00002  -0.00005  -1.77072
   D118       2.32671   0.00000   0.00002  -0.00001   0.00001   2.32672
   D119      -2.73511   0.00000   0.00000  -0.00002  -0.00002  -2.73513
   D120       1.36227   0.00000   0.00004   0.00000   0.00004   1.36231
   D121      -2.69582   0.00000   0.00007   0.00000   0.00007  -2.69575
   D122       1.40156   0.00000   0.00011   0.00001   0.00013   1.40169
   D123       1.32825   0.00000   0.00047   0.00014   0.00061   1.32886
   D124      -0.85756   0.00000   0.00051   0.00016   0.00067  -0.85689
   D125       1.29896   0.00000   0.00049   0.00015   0.00064   1.29960
   D126      -0.88684   0.00000   0.00053   0.00016   0.00070  -0.88615
   D127       1.65557   0.00000   0.00049   0.00015   0.00064   1.65621
   D128      -0.53024   0.00000   0.00053   0.00016   0.00070  -0.52954
   D129       1.77988   0.00000   0.00036   0.00014   0.00050   1.78038
   D130      -0.40592   0.00000   0.00041   0.00015   0.00056  -0.40537
   D131       0.89875   0.00000   0.00046   0.00016   0.00062   0.89938
   D132      -1.28705   0.00000   0.00051   0.00017   0.00068  -1.28637
   D133      -0.95346   0.00000   0.00018  -0.00001   0.00017  -0.95329
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   D355      -1.53932   0.00000   0.00040   0.00049   0.00089  -1.53843
   D356      -3.07942   0.00000   0.00058   0.00065   0.00123  -3.07820
   D357      -0.90763   0.00000   0.00054   0.00055   0.00109  -0.90654
   D358       2.61868   0.00000   0.00003   0.00025   0.00027   2.61895
   D359      -1.49271   0.00000  -0.00001   0.00014   0.00013  -1.49258
   D360       1.63826   0.00000  -0.00003   0.00013   0.00010   1.63837
   D361      -2.47313   0.00000  -0.00007   0.00003  -0.00004  -2.47316
   D362       1.81293   0.00000   0.00003   0.00016   0.00019   1.81312
   D363      -2.29846   0.00000  -0.00001   0.00006   0.00005  -2.29841
   D364       2.75012   0.00000  -0.00006   0.00004  -0.00002   2.75010
   D365      -1.36127   0.00000  -0.00010  -0.00006  -0.00016  -1.36143
   D366       2.75073   0.00000  -0.00013   0.00011  -0.00002   2.75071
   D367      -1.36066   0.00000  -0.00017   0.00001  -0.00016  -1.36082
   D368       0.06471   0.00000  -0.00032  -0.00006  -0.00038   0.06433
   D369      -2.38833   0.00000   0.00123   0.00092   0.00215  -2.38619
   D370       0.46405   0.00000  -0.00031  -0.00007  -0.00038   0.46367
   D371      -1.98900   0.00000   0.00124   0.00091   0.00215  -1.98685
   D372       0.67710   0.00000  -0.00032  -0.00007  -0.00039   0.67671
   D373      -1.77594   0.00000   0.00123   0.00092   0.00214  -1.77380
   D374       0.94771   0.00000  -0.00033  -0.00013  -0.00046   0.94725
   D375      -1.50534   0.00000   0.00121   0.00086   0.00207  -1.50327
   D376       0.70544   0.00000  -0.00034  -0.00008  -0.00042   0.70502
   D377      -1.74760   0.00000   0.00121   0.00090   0.00211  -1.74549
   D378       1.04681   0.00000  -0.00037  -0.00009  -0.00045   1.04636
   D379      -1.40623   0.00000   0.00118   0.00090   0.00208  -1.40416
   D380      -2.73948   0.00000   0.00043   0.00020   0.00063  -2.73885
   D381       1.09066   0.00000   0.00198   0.00119   0.00317   1.09382
   D382      -2.19517   0.00000   0.00030   0.00015   0.00045  -2.19472
   D383       1.63497   0.00000   0.00184   0.00114   0.00298   1.63795
   D384      -1.95848   0.00000   0.00032   0.00014   0.00046  -1.95802
   D385       1.87166   0.00000   0.00186   0.00112   0.00299   1.87465
   D386      -1.63035   0.00000   0.00026   0.00014   0.00039  -1.62996
   D387       2.19979   0.00000   0.00180   0.00112   0.00293   2.20272
   D388      -1.69664   0.00000   0.00002   0.00005   0.00008  -1.69656
   D389       2.13350   0.00000   0.00157   0.00104   0.00261   2.13611
   D390      -1.12616   0.00000  -0.00013  -0.00003  -0.00016  -1.12632
   D391       2.70398   0.00000   0.00142   0.00096   0.00237   2.70636
   D392       1.79989   0.00000  -0.00012  -0.00002  -0.00014   1.79975
   D393      -0.65316   0.00000   0.00142   0.00097   0.00239  -0.65076
   D394       2.10287   0.00000  -0.00008   0.00000  -0.00008   2.10279
   D395      -0.35017   0.00000   0.00146   0.00099   0.00245  -0.34772
   D396       2.05703   0.00000   0.00000   0.00006   0.00006   2.05709
   D397      -0.39601   0.00000   0.00155   0.00104   0.00259  -0.39342
   D398       2.26732   0.00000   0.00025   0.00014   0.00040   2.26772
   D399      -0.18572   0.00000   0.00180   0.00113   0.00293  -0.18280
   D400       2.50035   0.00000  -0.00011  -0.00002  -0.00013   2.50022
   D401       0.04730   0.00000   0.00144   0.00097   0.00241   0.04971
   D402      -1.53611   0.00000  -0.00006  -0.00006  -0.00012  -1.53623
   D403       2.29403   0.00000   0.00149   0.00092   0.00241   2.29644
   D404      -2.63279   0.00000  -0.00004  -0.00009  -0.00013  -2.63293
   D405       1.19735   0.00000   0.00151   0.00089   0.00240   1.19975
   D406      -2.98164   0.00000  -0.00008  -0.00006  -0.00014  -2.98178
   D407       0.84850   0.00000   0.00146   0.00093   0.00239   0.85090
   D408       1.91493   0.00000  -0.00014   0.00003  -0.00011   1.91482
   D409       2.41312   0.00000  -0.00024   0.00000  -0.00024   2.41288
   D410       2.64363   0.00000  -0.00020  -0.00001  -0.00021   2.64342
   D411       2.87624   0.00000  -0.00020  -0.00009  -0.00029   2.87594
   D412       2.84591   0.00000  -0.00057  -0.00003  -0.00060   2.84531
   D413      -2.94069   0.00000  -0.00040  -0.00005  -0.00045  -2.94114
   D414      -0.74862   0.00000   0.00043   0.00018   0.00062  -0.74801
   D415      -0.36918   0.00000   0.00040   0.00017   0.00058  -0.36861
   D416      -0.05706   0.00000   0.00047   0.00022   0.00070  -0.05636
   D417       0.25097   0.00000   0.00043   0.00022   0.00065   0.25162
   D418      -0.23826   0.00000   0.00030   0.00012   0.00042  -0.23784
   D419       0.07054   0.00000   0.00027   0.00010   0.00037   0.07092
   D420      -2.55649   0.00000   0.00028   0.00015   0.00043  -2.55606
   D421      -2.17487   0.00000   0.00029   0.00014   0.00043  -2.17444
   D422      -1.92642   0.00000   0.00037   0.00020   0.00057  -1.92585
   D423      -1.61131   0.00000   0.00043   0.00021   0.00065  -1.61066
   D424      -1.96495   0.00000   0.00019   0.00011   0.00030  -1.96465
   D425       1.30676   0.00000   0.00009  -0.00010  -0.00001   1.30675
   D426       2.47197   0.00000   0.00010  -0.00003   0.00007   2.47205
   D427       2.94784   0.00000   0.00014   0.00000   0.00014   2.94799
   D428      -3.07253  -0.00001   0.00000   0.00011   0.00011  -3.07242
   D429       0.02888  -0.00001  -0.00042  -0.00017  -0.00059   0.02829
   D430       0.04028  -0.00001  -0.00016   0.00020   0.00004   0.04031
   D431      -3.14150  -0.00001  -0.00058  -0.00008  -0.00066   3.14103
   D432      -0.08286   0.00000  -0.00063  -0.00040  -0.00104  -0.08390
   D433       2.01667   0.00000  -0.00054  -0.00046  -0.00100   2.01567
   D434      -2.17996   0.00000  -0.00061  -0.00040  -0.00102  -2.18098
   D435       3.09686   0.00000  -0.00023  -0.00014  -0.00037   3.09649
   D436      -1.08680   0.00000  -0.00014  -0.00020  -0.00034  -1.08714
   D437       0.99976   0.00000  -0.00022  -0.00014  -0.00036   0.99941
   D438      -2.37154   0.00001   0.00086   0.00016   0.00102  -2.37052
   D439      -0.28135   0.00000   0.00089   0.00013   0.00102  -0.28033
   D440       1.82595   0.00000   0.00089   0.00015   0.00104   1.82699
   D441       0.73187   0.00000   0.00047  -0.00011   0.00036   0.73223
   D442       2.82206   0.00000   0.00049  -0.00013   0.00036   2.82242
   D443      -1.35382   0.00000   0.00050  -0.00012   0.00038  -1.35345
   D444      -0.00098   0.00000  -0.00001   0.00003   0.00002  -0.00096
   D445       3.11503  -0.00001  -0.00011  -0.00005  -0.00017   3.11487
   D446      -3.12080   0.00000  -0.00001   0.00004   0.00004  -3.12077
   D447      -0.00479   0.00000  -0.00011  -0.00004  -0.00015  -0.00494
   D448       2.42058   0.00000  -0.00039  -0.00005  -0.00044   2.42014
   D449      -1.77869   0.00000  -0.00046  -0.00005  -0.00052  -1.77921
   D450       0.32882  -0.00001  -0.00050  -0.00005  -0.00055   0.32828
   D451      -0.69666   0.00000  -0.00030   0.00003  -0.00026  -0.69692
   D452       1.38726   0.00000  -0.00037   0.00002  -0.00034   1.38692
   D453      -2.78841   0.00000  -0.00040   0.00003  -0.00037  -2.78878
   D454       2.05415   0.00000   0.00013  -0.00003   0.00010   2.05425
   D455      -2.14475   0.00000   0.00003  -0.00004   0.00000  -2.14475
   D456      -0.05159   0.00000   0.00005  -0.00003   0.00002  -0.05157
   D457      -1.11176   0.00000   0.00003  -0.00011  -0.00008  -1.11184
   D458       0.97253   0.00000  -0.00006  -0.00012  -0.00018   0.97235
   D459       3.06569   0.00000  -0.00005  -0.00011  -0.00015   3.06553
   D460      -3.08331   0.00000  -0.00052  -0.00008  -0.00060  -3.08392
   D461      -0.02768   0.00001  -0.00015   0.00002  -0.00013  -0.02781
   D462       0.07079   0.00002  -0.00060   0.00007  -0.00053   0.07026
   D463       3.12642   0.00002  -0.00022   0.00017  -0.00005   3.12637
   D464       1.92958   0.00001  -0.00036   0.00006  -0.00031   1.92928
   D465      -2.27061   0.00001  -0.00029   0.00002  -0.00027  -2.27087
   D466      -0.17795   0.00001  -0.00044   0.00007  -0.00037  -0.17832
   D467      -1.12947   0.00001  -0.00071  -0.00004  -0.00076  -1.13023
   D468       0.95353   0.00000  -0.00064  -0.00008  -0.00072   0.95281
   D469       3.04618   0.00001  -0.00079  -0.00003  -0.00082   3.04536
   D470      -1.63485   0.00000   0.00054   0.00014   0.00068  -1.63417
   D471       0.46947   0.00001   0.00053   0.00017   0.00070   0.47017
   D472       2.56089   0.00000   0.00048   0.00012   0.00060   2.56149
   D473       1.42458   0.00000   0.00089   0.00024   0.00113   1.42571
   D474      -2.75428   0.00001   0.00089   0.00027   0.00115  -2.75313
   D475      -0.66286   0.00000   0.00083   0.00022   0.00105  -0.66181
   D476       0.00380   0.00000  -0.00016  -0.00007  -0.00023   0.00358
   D477      -3.04548   0.00000  -0.00016   0.00024   0.00008  -3.04540
   D478       3.11723   0.00000  -0.00026  -0.00004  -0.00029   3.11693
   D479       0.06794   0.00000  -0.00026   0.00027   0.00001   0.06795
   D480      -0.30620   0.00000  -0.00013   0.00023   0.00010  -0.30611
   D481       1.80199  -0.00001  -0.00004   0.00022   0.00019   1.80217
   D482      -2.39761   0.00000  -0.00007   0.00020   0.00012  -2.39749
   D483       2.74776   0.00000  -0.00012  -0.00006  -0.00019   2.74757
   D484      -1.42724  -0.00001  -0.00003  -0.00007  -0.00010  -1.42734
   D485       0.65635   0.00000  -0.00006  -0.00010  -0.00016   0.65619
   D486      -0.09209   0.00000   0.00010  -0.00049  -0.00039  -0.09249
   D487       2.00347   0.00000   0.00022  -0.00052  -0.00029   2.00318
   D488      -2.19565   0.00000   0.00015  -0.00051  -0.00036  -2.19601
   D489       3.13705   0.00000   0.00009  -0.00019  -0.00010   3.13694
   D490      -1.05057   0.00000   0.00022  -0.00022  -0.00001  -1.05057
   D491       1.03349   0.00000   0.00015  -0.00022  -0.00007   1.03342
         Item               Value     Threshold  Converged?
 Maximum Force            0.000020     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.002857     0.001800     NO 
 RMS     Displacement     0.000472     0.001200     YES
 Predicted change in Energy=-1.278154D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:18:13 2016, MaxMem=  2952790016 cpu:        10.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.823052   -0.586173    1.667778
      2          6           0       -2.069369    1.117912   -1.368244
      3          8           0       -2.619249    0.137643   -1.899981
      4          7           0       -0.777092    1.165200   -0.944571
      5          1           0       -2.617659    2.059243   -1.163274
      6          6           0       -0.237818    2.335370   -0.251105
      7          1           0       -0.994135    3.132187   -0.227603
      8          1           0        0.040595    2.063331    0.779914
      9          1           0        0.660105    2.699838   -0.776371
     10          6           0        0.133205    0.029874   -1.113001
     11          1           0        0.700763   -0.118045   -0.180982
     12          1           0       -0.448746   -0.874162   -1.335133
     13          1           0        0.843543    0.223508   -1.933693
     14          6           0       -2.009384   -3.996524    2.625569
     15          8           0       -2.133402   -3.842861    3.852678
     16          7           0       -2.947693   -3.685760    1.690194
     17          1           0       -1.079046   -4.395325    2.174456
     18          6           0       -4.246696   -3.118119    2.059431
     19          1           0       -4.505798   -2.323175    1.342134
     20          1           0       -5.032058   -3.891756    2.028246
     21          1           0       -4.186723   -2.697195    3.071251
     22          6           0       -2.697360   -3.872476    0.260733
     23          1           0       -3.405936   -4.605274   -0.159087
     24          1           0       -2.831851   -2.913534   -0.266349
     25          1           0       -1.668815   -4.228481    0.109139
     26          6           0        1.565012    0.374698    2.608719
     27          8           0        1.400250    1.393436    3.300991
     28          7           0        1.178773   -0.884353    2.952009
     29          1           0        2.047371    0.412486    1.612086
     30          6           0        1.478818   -2.037353    2.102320
     31          1           0        2.227630   -2.686789    2.586246
     32          1           0        0.562418   -2.626726    1.938325
     33          1           0        1.863680   -1.690193    1.133672
     34          6           0        0.537034   -1.156111    4.240845
     35          1           0        1.284695   -1.459458    4.993564
     36          1           0        0.019149   -0.252000    4.585513
     37          1           0       -0.188441   -1.972508    4.113901
     38          6           0       -4.608685    1.093210    2.907883
     39          8           0       -4.855564    1.670012    1.834834
     40          7           0       -3.538749    1.344230    3.710765
     41          1           0       -5.249976    0.277551    3.298392
     42          6           0       -2.541182    2.362722    3.371171
     43          1           0       -2.621416    2.614565    2.305637
     44          1           0       -2.693251    3.271356    3.976835
     45          1           0       -1.536966    1.963838    3.580581
     46          6           0       -3.262086    0.535119    4.898168
     47          1           0       -4.076122   -0.185885    5.054497
     48          1           0       -2.312818   -0.010908    4.762729
     49          1           0       -3.171133    1.183944    5.784090
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490273   0.000000
     3  O    3.726492   1.243399   0.000000
     4  N    3.314469   1.360778   2.315648   0.000000
     5  H    3.955311   1.108485   2.057981   2.057871   0.000000
     6  C    3.838033   2.466735   3.635933   1.463218   2.563580
     7  H    4.255088   2.552350   3.795410   2.104801   2.159286
     8  H    3.358773   3.156001   4.238500   2.109288   3.292766
     9  H    4.789343   3.209802   4.310627   2.109251   3.362111
    10  C    3.455312   2.469880   2.864778   1.464914   3.418789
    11  H    3.163336   3.257424   3.747374   2.100914   4.088692
    12  H    3.314985   2.568244   2.460464   2.102224   3.652203
    13  H    4.553779   3.099153   3.464020   2.119340   3.992917
    14  C    3.547192   6.489345   6.159860   6.395923   7.169215
    15  O    3.933970   7.202180   7.012385   7.066389   7.760742
    16  N    3.297387   5.762011   5.255059   5.931721   6.423104
    17  H    3.914065   6.627764   6.286578   6.382707   7.427599
    18  C    3.526782   5.868021   5.378245   6.277659   6.312263
    19  H    3.212529   5.012326   4.486201   5.594732   5.389594
    20  H    4.621097   6.738727   6.122799   7.246736   7.171437
    21  H    3.465991   6.224736   5.933500   6.532266   6.558724
    22  C    3.680214   5.286957   4.555858   5.524343   6.100774
    23  H    4.690003   6.000278   5.113203   6.389537   6.785688
    24  H    3.189848   4.248307   3.467511   4.617152   5.057555
    25  H    3.964788   5.561207   4.899277   5.567519   6.484968
    26  C    3.645219   5.438504   6.155697   4.328535   5.878806
    27  O    4.120184   5.823738   6.692048   4.776788   6.042893
    28  N    3.278583   5.764033   6.245898   4.817614   6.325599
    29  H    3.997573   5.131037   5.847007   3.883382   5.672472
    30  C    3.632780   5.881338   6.127248   4.962763   6.650363
    31  H    4.654480   6.969787   7.183027   6.027672   7.749873
    32  H    3.150796   5.646416   5.700643   4.948139   6.456866
    33  H    3.885373   5.441867   5.713203   4.409766   6.278267
    34  C    3.537726   6.589871   7.024647   5.831290   7.035275
    35  H    4.634822   7.639711   8.081613   6.811846   8.094213
    36  H    3.466779   6.456453   7.012460   5.764051   6.733733
    37  H    3.252290   6.568295   6.821168   5.981626   7.071399
    38  C    3.481084   4.973328   5.290229   5.433939   4.633759
    39  O    3.783439   4.281052   4.614987   4.961236   3.761432
    40  N    3.293004   5.292129   5.812212   5.415806   5.011577
    41  H    3.892138   5.709638   5.827811   6.228752   5.478137
    42  C    3.480408   4.922825   5.722072   4.813699   4.545232
    43  H    3.359907   4.005262   4.880817   4.008247   3.513081
    44  H    4.579250   5.796241   6.660525   5.685753   5.281633
    45  H    3.200503   5.048753   5.877319   4.657491   4.866329
    46  C    3.709924   6.405478   6.840034   6.380423   6.283257
    47  H    4.087349   6.854090   7.112799   6.978384   6.769667
    48  H    3.185832   6.238776   6.671407   6.026189   6.284582
    49  H    4.679173   7.236996   7.774591   7.141894   7.024126
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098856   0.000000
     8  H    1.102052   1.796722   0.000000
     9  H    1.102274   1.795712   1.791914   0.000000
    10  C    2.489144   3.417481   2.779685   2.742199   0.000000
    11  H    2.627755   3.665905   2.473367   2.880383   1.101209
    12  H    3.394216   4.192244   3.652635   3.783549   1.097857
    13  H    2.908677   3.840341   3.375402   2.739572   1.102547
    14  C    7.176809   7.745311   6.658130   7.971238   5.897412
    15  O    7.655378   8.160755   7.003660   8.487561   6.692798
    16  N    6.882302   7.347023   6.542976   7.737960   5.581736
    17  H    7.203699   7.901933   6.701685   7.878666   5.644405
    18  C    7.151938   7.407834   6.845835   8.122013   6.257612
    19  H    6.515835   6.675090   6.342493   7.510345   5.751945
    20  H    8.182743   8.410080   7.921692   9.149629   7.206008
    21  H    7.208232   7.420023   6.766317   8.211206   6.603533
    22  C    6.696916   7.225286   6.557420   7.452749   5.012741
    23  H    7.630071   8.104924   7.565091   8.383221   5.909320
    24  H    5.854932   6.318975   5.840787   6.630522   4.262866
    25  H    6.727679   7.399191   6.554305   7.362717   4.782728
    26  C    3.908072   4.711444   2.918880   4.205231   4.002521
    27  O    4.023419   4.605140   2.941641   4.345041   4.790411
    28  N    4.757446   5.564536   3.834356   5.197717   4.295734
    29  H    3.520093   4.475711   2.728543   3.586253   3.352092
    30  C    5.254156   6.186128   4.542340   5.603404   4.052455
    31  H    6.273043   7.222049   5.532594   6.540648   5.044928
    32  H    5.482370   6.346588   4.859100   5.979248   4.068456
    33  H    4.747532   5.768495   4.187807   4.936521   3.316732
    34  C    5.741816   6.379734   4.752820   6.328977   5.498482
    35  H    6.650213   7.316889   5.631401   7.140169   6.390163
    36  H    5.491211   5.970390   4.454639   6.154184   5.706621
    37  H    6.132987   6.749497   5.239840   6.816569   5.606558
    38  C    5.534135   5.201314   5.204344   6.626849   6.307433
    39  O    5.110520   4.615434   5.023935   6.188823   6.022258
    40  N    5.251183   5.018226   4.681741   6.293047   6.203185
    41  H    6.477290   6.220432   6.125511   7.576294   6.964221
    42  C    4.292682   3.992067   3.670125   5.250142   5.718594
    43  H    3.506625   3.055042   3.117370   4.502713   5.094669
    44  H    4.978021   4.536922   4.376476   5.845049   6.663519
    45  H    4.062959   4.020195   3.215950   4.934759   5.344099
    46  C    6.237156   6.177532   5.495739   7.229799   6.922241
    47  H    7.017031   6.957645   6.346526   8.047252   7.470141
    48  H    5.911783   6.043293   5.069895   6.846024   6.364660
    49  H    6.808355   6.683967   6.010848   7.746997   7.734364
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795870   0.000000
    13  H    1.791380   1.798100   0.000000
    14  C    5.501293   5.279384   6.836281   0.000000
    15  O    6.178767   6.210042   7.673308   1.242895   0.000000
    16  N    5.435175   4.827259   6.541285   1.360855   2.316050
    17  H    5.197204   5.011296   6.473551   1.108185   2.057501
    18  C    6.204614   5.566223   7.281624   2.469346   2.864785
    19  H    5.855831   5.072186   6.769940   3.267933   3.773664
    20  H    7.210188   6.436221   8.194818   3.082909   3.425368
    21  H    6.412219   6.059055   7.673562   2.574431   2.477763
    22  C    5.083120   4.073444   5.842139   2.465999   3.636069
    23  H    6.082819   4.904004   6.672664   3.174153   4.277251
    24  H    4.505708   3.313688   5.111711   3.195702   4.279937
    25  H    4.753394   3.850447   5.505026   2.549944   3.791916
    26  C    2.961782   4.600961   4.601835   5.646607   5.745738
    27  O    3.859792   5.482193   5.392641   6.413538   6.341125
    28  N    3.260575   4.585685   5.020938   4.467271   4.531498
    29  H    2.304324   4.070892   3.749328   6.076494   6.372370
    30  C    3.082625   4.109087   4.669526   4.034810   4.401335
    31  H    4.072753   5.081911   5.551160   4.435002   4.686038
    32  H    3.286956   3.848307   4.816160   2.993797   3.522950
    33  H    2.356341   3.479687   3.756549   4.748215   5.291847
    34  C    4.544991   5.669461   6.334210   4.142620   3.807956
    35  H    5.377387   6.587853   7.142401   4.784878   4.320373
    36  H    4.816847   5.971605   6.588307   4.688047   4.250272
    37  H    4.761904   5.564719   6.516201   3.102838   2.710965
    38  C    6.260867   6.259300   7.343298   5.722015   5.602184
    39  O    6.175227   5.995128   6.983837   6.390276   6.470984
    40  N    5.937795   6.319057   7.233285   5.660412   5.375971
    41  H    6.904624   6.771101   8.031726   5.405723   5.195966
    42  C    5.411302   6.083174   6.646366   6.424853   6.237579
    43  H    4.968632   5.490621   5.974530   6.647062   6.658066
    44  H    6.347819   7.102122   7.532107   7.423993   7.137292
    45  H    4.846753   5.779508   6.253222   6.054844   5.843588
    46  C    6.475226   6.982478   7.976692   5.222044   4.640440
    47  H    7.087557   7.379631   8.556022   4.969110   4.311844
    48  H    5.790805   6.434586   7.406729   4.532621   3.942619
    49  H    7.229718   7.894969   8.752384   6.177634   5.484160
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056656   0.000000
    18  C    1.464909   3.417381   0.000000
    19  H    2.098923   4.090134   1.101629   0.000000
    20  H    2.121624   3.987639   1.102851   1.791130   0.000000
    21  H    2.102326   3.653156   1.097521   1.797650   1.797060
    22  C    1.463178   2.560205   2.490946   2.615380   2.928359
    23  H    2.115498   3.302109   2.800059   2.944714   2.817411
    24  H    2.106612   3.350457   2.729999   2.395379   3.326108
    25  H    2.104711   2.154345   3.417895   3.633034   3.886870
    26  C    6.139668   5.471083   6.802752   6.762950   7.877875
    27  O    6.877319   6.397324   7.333731   7.247877   8.421860
    28  N    5.144684   4.246087   5.934822   6.080810   6.962200
    29  H    6.461609   5.762447   7.230530   7.106387   8.295662
    30  C    4.741423   3.479641   5.826783   6.039470   6.770214
    31  H    5.346478   3.744699   6.510028   6.857046   7.380134
    32  H    3.674780   2.424481   4.835671   5.112182   5.736423
    33  H    5.238446   4.130449   6.342925   6.404247   7.293719
    34  C    5.004825   4.168235   5.611783   5.932513   6.587422
    35  H    5.812210   4.706799   6.477390   6.899910   7.389895
    36  H    5.382911   4.917964   5.726531   5.940069   6.730685
    37  H    4.052537   3.228725   4.690703   5.142492   5.611960
    38  C    5.203866   6.566604   4.311171   3.759500   5.079654
    39  O    5.687283   7.153024   4.831911   4.038642   5.567928
    40  N    5.452785   6.430621   4.810474   4.471628   5.698806
    41  H    4.857432   6.363620   3.751289   3.338341   4.363929
    42  C    6.290872   7.017205   5.888044   5.471228   6.864867
    43  H    6.338716   7.178766   5.963708   5.372197   6.944088
    44  H    7.327683   8.039417   6.849454   6.444048   7.783135
    45  H    6.122228   6.528846   5.956745   5.674776   6.993811
    46  C    5.310910   6.040989   4.730120   4.728852   5.564753
    47  H    4.984076   5.915783   4.194939   4.305144   4.879087
    48  H    4.831985   5.238746   4.549996   4.675062   5.471073
    49  H    6.365841   6.966673   5.791172   5.814825   6.582715
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390944   0.000000
    23  H    3.832164   1.102416   0.000000
    24  H    3.608608   1.102485   1.789711   0.000000
    25  H    4.178374   1.098919   1.797639   1.795196   0.000000
    26  C    6.537042   6.459051   7.561164   6.197652   6.155875
    27  O    6.928226   7.332354   8.429478   7.013315   7.156329
    28  N    5.664730   5.585360   6.674109   5.528155   5.232003
    29  H    7.117809   6.534488   7.619287   6.196591   6.132493
    30  C    5.785549   4.919307   5.963976   4.996014   4.322199
    31  H    6.432672   5.573992   6.553969   5.812663   4.867767
    32  H    4.882913   3.871998   4.905266   4.057575   3.299992
    33  H    6.432391   5.131030   6.159365   5.050211   4.468903
    34  C    5.104584   5.803554   6.841282   5.895144   5.601449
    35  H    5.929899   6.639211   7.645129   6.835713   6.344157
    36  H    5.095226   6.260271   7.293383   6.225153   6.220896
    37  H    4.195063   4.975084   5.961724   5.201897   4.828979
    38  C    3.817317   5.942946   6.582221   5.411735   6.692996
    39  O    4.587872   6.152627   6.742133   5.433164   6.922832
    40  N    4.142700   6.310681   7.098592   5.869046   6.893727
    41  H    3.167208   5.741598   6.260721   5.360758   6.580302
    42  C    5.329213   6.969714   7.858975   6.415209   7.405797
    43  H    5.590272   6.802140   7.669186   6.100760   7.249781
    44  H    6.218854   8.052563   8.924969   7.501778   8.500359
    45  H    5.385708   6.813990   7.786616   6.345419   7.100218
    46  C    3.826282   6.422742   7.212501   6.224993   6.940115
    47  H    3.201901   6.202589   6.867431   6.107346   6.826000
    48  H    3.686293   5.943699   6.821098   5.829773   6.313364
    49  H    4.842949   7.503287   8.300093   7.315206   7.984759
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242665   0.000000
    28  N    1.360970   2.314988   0.000000
    29  H    1.107870   2.057530   2.057097   0.000000
    30  C    2.466142   3.635010   1.463354   2.562283   0.000000
    31  H    3.132454   4.224175   2.117229   3.253765   1.103028
    32  H    3.234681   4.326722   2.107915   3.398283   1.101836
    33  H    2.555140   3.797475   2.103527   2.164228   1.098598
    34  C    2.462509   2.851080   1.465189   3.413501   2.497365
    35  H    3.021621   3.319211   2.123656   3.939575   2.954816
    36  H    2.586534   2.502978   2.100699   3.660123   3.388859
    37  H    3.293865   3.809769   2.098415   4.116568   2.613506
    38  C    6.222564   6.029260   6.116157   6.815098   6.892535
    39  O    6.595493   6.431277   6.647261   7.020078   7.344419
    40  N    5.310639   4.956214   5.272316   6.039648   6.260845
    41  H    6.850486   6.743198   6.542080   7.490869   7.215680
    42  C    4.625408   4.059473   4.955528   5.287023   6.093524
    43  H    4.757630   4.319223   5.205926   5.208429   6.204321
    44  H    5.328713   4.554130   5.771721   6.019856   7.007307
    45  H    3.618307   3.005124   3.985289   4.373686   5.223957
    46  C    5.344921   5.002505   5.052095   6.245295   6.075405
    47  H    6.174016   5.963195   5.702826   7.050206   6.557487
    48  H    4.452642   4.230336   4.028998   5.396023   5.055765
    49  H    5.759247   5.206458   5.587505   6.725589   6.749387
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787830   0.000000
    33  H    1.798786   1.793835   0.000000
    34  C    2.817586   2.732206   3.420491   0.000000
    35  H    2.861931   3.349430   3.909889   1.103451   0.000000
    36  H    3.847422   3.597508   4.169641   1.097460   1.796126
    37  H    2.946409   2.392680   3.629417   1.099515   1.790854
    38  C    7.818379   6.443468   7.265444   5.771885   6.752637
    39  O    8.349728   6.915721   7.545253   6.546447   7.581157
    40  N    7.124941   5.977425   6.710841   4.810894   5.724671
    41  H    8.075212   6.638413   7.691693   6.035983   6.970849
    42  C    6.989651   6.048137   6.390253   4.755410   5.646109
    43  H    7.190017   6.143521   6.326179   5.285720   6.251425
    44  H    7.851643   7.038627   7.312057   5.486976   6.264056
    45  H    6.065411   5.308266   5.559110   3.804143   4.655883
    46  C    6.772197   5.777955   6.737724   4.210183   4.965949
    47  H    7.216929   6.097891   7.274411   4.783782   5.510359
    48  H    5.702025   4.804867   5.782144   3.115367   3.885059
    49  H    7.372613   6.576512   7.432119   4.648436   5.240888
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.796012   0.000000
    38  C    5.103027   5.512863   0.000000
    39  O    5.918039   6.343826   1.243014   0.000000
    40  N    3.996470   4.731579   1.361027   2.315006   0.000000
    41  H    5.449842   5.598835   1.108626   2.058280   2.058192
    42  C    3.855735   4.988111   2.469994   2.862960   1.465534
    43  H    4.515265   5.498220   2.574191   2.470880   2.104670
    44  H    4.487944   5.813000   3.091257   3.439195   2.121196
    45  H    2.888134   4.194969   3.262817   3.761257   2.099523
    46  C    3.388777   4.043582   2.466989   3.634718   1.463260
    47  H    4.122567   4.380731   2.554929   3.797120   2.106096
    48  H    2.351085   2.963415   3.151275   4.226537   2.108539
    49  H    3.698164   4.652867   3.216731   4.320902   2.111755
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419182   0.000000
    43  H    3.654658   1.097827   0.000000
    44  H    3.994997   1.102529   1.797063   0.000000
    45  H    4.087742   1.100641   1.795817   1.789865   0.000000
    46  C    2.564631   2.488284   3.384638   2.942690   2.598714
    47  H    2.162547   3.418337   4.185083   3.876365   3.638825
    48  H    3.294600   2.760924   3.609106   3.396413   2.428794
    49  H    3.364793   2.758357   3.801118   2.802112   2.852049
                   46         47         48         49
    46  C    0.000000
    47  H    1.098608   0.000000
    48  H    1.103448   1.795824   0.000000
    49  H    1.101864   1.796592   1.790964   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143879      0.1945903      0.1846417
 Leave Link  202 at Mon Nov 14 04:18:13 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.0938479399 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842891622 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9095587777 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4035
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.30D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     221
 GePol: Fraction of low-weight points (<1% of avg)   =       5.48%
 GePol: Cavity surface area                          =    468.056 Ang**2
 GePol: Cavity volume                                =    458.388 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040187035 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9055400742 Hartrees.
 Leave Link  301 at Mon Nov 14 04:18:13 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37498.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:18:14 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:18:14 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000276   -0.000359   -0.000013
         Rot=    1.000000    0.000012   -0.000011    0.000019 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:18:15 2016, MaxMem=  2952790016 cpu:         6.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48843675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.02D-14 for   3796.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.47D-15 for   1824   1010.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.55D-15 for   3169.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.64D-10 for   2458   2455.
 Iteration    2 A*A^-1 deviation from unit magnitude is 8.88D-15 for    527.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.04D-14 for   2332    135.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2056.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.03D-15 for   2063    475.
 E= -1013.45141392557    
 DIIS: error= 3.62D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141392557     IErMin= 1 ErrMin= 3.62D-05
 ErrMax= 3.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-06 BMatP= 1.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.30D-06 MaxDP=1.62D-04              OVMax= 2.90D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.30D-06    CP:  1.00D+00
 E= -1013.45141610742     Delta-E=       -0.000002181853 Rises=F Damp=F
 DIIS: error= 5.67D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141610742     IErMin= 2 ErrMin= 5.67D-06
 ErrMax= 5.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-08 BMatP= 1.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.321D-01 0.968D+00
 Coeff:      0.321D-01 0.968D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.68D-06 MaxDP=1.00D-04 DE=-2.18D-06 OVMax= 1.69D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.64D-06    CP:  1.00D+00  9.44D-01
 E= -1013.45141595632     Delta-E=        0.000000151101 Rises=F Damp=F
 DIIS: error= 1.52D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141610742     IErMin= 2 ErrMin= 5.67D-06
 ErrMax= 1.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-07 BMatP= 3.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.318D-02 0.718D+00 0.279D+00
 Coeff:      0.318D-02 0.718D+00 0.279D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.25D-06 MaxDP=7.95D-05 DE= 1.51D-07 OVMax= 1.41D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.40D-07    CP:  1.00D+00  9.65D-01  2.93D-01
 E= -1013.45141613644     Delta-E=       -0.000000180115 Rises=F Damp=F
 DIIS: error= 2.30D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141613644     IErMin= 4 ErrMin= 2.30D-06
 ErrMax= 2.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-09 BMatP= 3.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-04 0.275D+00 0.152D+00 0.573D+00
 Coeff:      0.191D-04 0.275D+00 0.152D+00 0.573D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.08D-07 MaxDP=1.25D-05 DE=-1.80D-07 OVMax= 1.94D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.20D-07    CP:  1.00D+00  9.70D-01  3.21D-01  6.35D-01
 E= -1013.45141613920     Delta-E=       -0.000000002766 Rises=F Damp=F
 DIIS: error= 1.12D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141613920     IErMin= 5 ErrMin= 1.12D-06
 ErrMax= 1.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.13D-10 BMatP= 3.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-04 0.141D+00 0.846D-01 0.383D+00 0.391D+00
 Coeff:      0.146D-04 0.141D+00 0.846D-01 0.383D+00 0.391D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.91D-08 MaxDP=4.74D-06 DE=-2.77D-09 OVMax= 4.14D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.69D-08    CP:  1.00D+00  9.71D-01  3.18D-01  6.46D-01  6.23D-01
 E= -1013.45141613961     Delta-E=       -0.000000000410 Rises=F Damp=F
 DIIS: error= 8.86D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141613961     IErMin= 6 ErrMin= 8.86D-08
 ErrMax= 8.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.65D-12 BMatP= 6.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.149D-04 0.417D-01 0.259D-01 0.124D+00 0.159D+00 0.650D+00
 Coeff:     -0.149D-04 0.417D-01 0.259D-01 0.124D+00 0.159D+00 0.650D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.04D-08 MaxDP=4.92D-07 DE=-4.10D-10 OVMax= 5.75D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.65D-09    CP:  1.00D+00  9.71D-01  3.19D-01  6.52D-01  6.22D-01
                    CP:  8.80D-01
 E= -1013.45141613963     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 4.40D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141613963     IErMin= 7 ErrMin= 4.40D-08
 ErrMax= 4.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-12 BMatP= 6.65D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-04 0.999D-02 0.648D-02 0.332D-01 0.520D-01 0.376D+00
 Coeff-Com:  0.522D+00
 Coeff:     -0.153D-04 0.999D-02 0.648D-02 0.332D-01 0.520D-01 0.376D+00
 Coeff:      0.522D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.65D-09 MaxDP=1.67D-07 DE=-1.46D-11 OVMax= 2.19D-07

 Error on total polarization charges =  0.04318
 SCF Done:  E(RB97D) =  -1013.45141614     A.U. after    7 cycles
            NFock=  7  Conv=0.37D-08     -V/T= 2.0213
 KE= 9.923509669642D+02 PE=-6.029358570292D+03 EE= 2.174650647114D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:19:48 2016, MaxMem=  2952790016 cpu:      1052.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37498.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:19:56 2016, MaxMem=  2952790016 cpu:        97.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:19:56 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:20:33 2016, MaxMem=  2952790016 cpu:       440.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24777700D+00-2.53649855D+00 3.31938358D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000032618   -0.000083134   -0.000008524
      2        6           0.000012876    0.000026030    0.000013180
      3        8           0.000022288    0.000033347   -0.000004041
      4        7           0.000008056    0.000022336    0.000015393
      5        1           0.000013481    0.000022888    0.000016033
      6        6           0.000020912    0.000040529    0.000044541
      7        1           0.000001655    0.000013989    0.000037565
      8        1          -0.000016820    0.000020646    0.000029407
      9        1           0.000004210    0.000023549    0.000031618
     10        6           0.000016116    0.000029103    0.000019316
     11        1           0.000006989    0.000020664    0.000021611
     12        1           0.000019972    0.000028858   -0.000001045
     13        1           0.000022484    0.000036486    0.000023236
     14        6           0.000014075   -0.000003205   -0.000019293
     15        8          -0.000006091   -0.000012036   -0.000031443
     16        7           0.000006228   -0.000009535   -0.000030951
     17        1           0.000003394   -0.000004281   -0.000028604
     18        6          -0.000014680    0.000013120   -0.000027296
     19        1           0.000000933    0.000022247   -0.000035844
     20        1           0.000006926   -0.000007193   -0.000051916
     21        1          -0.000000447   -0.000016920   -0.000035353
     22        6           0.000024628    0.000019021   -0.000055030
     23        1           0.000021061    0.000008227   -0.000036258
     24        1           0.000025120    0.000017535   -0.000033528
     25        1           0.000018007    0.000012229   -0.000029986
     26        6          -0.000011049    0.000018911    0.000041263
     27        8           0.000006604   -0.000007962    0.000035925
     28        7           0.000006070   -0.000001548    0.000019472
     29        1          -0.000027977    0.000000948    0.000015053
     30        6          -0.000011110    0.000001414   -0.000007834
     31        1          -0.000011701    0.000000501    0.000020617
     32        1          -0.000003178   -0.000000137    0.000000074
     33        1           0.000024052    0.000006732    0.000015484
     34        6           0.000002315   -0.000011354    0.000013473
     35        1          -0.000019577   -0.000020049    0.000009121
     36        1          -0.000022278   -0.000018742    0.000006567
     37        1          -0.000015566   -0.000013270   -0.000004833
     38        6          -0.000043358   -0.000007810   -0.000030747
     39        8          -0.000000977   -0.000016399    0.000004321
     40        7           0.000010760   -0.000021365    0.000028906
     41        1          -0.000011166   -0.000019344   -0.000016960
     42        6           0.000029400    0.000013990   -0.000006949
     43        1          -0.000009758   -0.000009512    0.000017385
     44        1          -0.000059159   -0.000032511    0.000034175
     45        1          -0.000003029   -0.000012958    0.000006256
     46        6          -0.000029701   -0.000023936   -0.000011239
     47        1          -0.000019981   -0.000033295   -0.000018099
     48        1          -0.000014544   -0.000030082   -0.000000021
     49        1          -0.000029081   -0.000036723    0.000005801
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000083134 RMS     0.000022784
 Leave Link  716 at Mon Nov 14 04:20:33 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000022878 RMS     0.000002952
 Search for a local minimum.
 Step number  94 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .29519D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   62   68   74   75   76
                                                     78   79   80   81   82
                                                     83   84   85   86   87
                                                     88   89   90   91   92
                                                     93   94
 DE= -2.34D-07 DEPred=-1.28D-07 R= 1.83D+00
 Trust test= 1.83D+00 RLast= 1.78D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1
 ITU=  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0
 ITU= -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00007   0.00051   0.00074   0.00096   0.00122
     Eigenvalues ---    0.00143   0.00178   0.00203   0.00220   0.00260
     Eigenvalues ---    0.00293   0.00355   0.00425   0.00494   0.00563
     Eigenvalues ---    0.00653   0.00699   0.00797   0.00802   0.00838
     Eigenvalues ---    0.00917   0.01039   0.01121   0.01185   0.01220
     Eigenvalues ---    0.01244   0.01309   0.01364   0.01495   0.01526
     Eigenvalues ---    0.01612   0.01673   0.01739   0.01799   0.01813
     Eigenvalues ---    0.01846   0.01922   0.01973   0.02061   0.02108
     Eigenvalues ---    0.02194   0.02345   0.02382   0.02478   0.02614
     Eigenvalues ---    0.02925   0.03064   0.03110   0.03601   0.03822
     Eigenvalues ---    0.04396   0.04827   0.05004   0.05376   0.05589
     Eigenvalues ---    0.05919   0.06036   0.06307   0.06309   0.06392
     Eigenvalues ---    0.06913   0.07098   0.07447   0.07482   0.07589
     Eigenvalues ---    0.07848   0.08010   0.08076   0.08229   0.08340
     Eigenvalues ---    0.08569   0.08793   0.08909   0.09171   0.09318
     Eigenvalues ---    0.09468   0.09674   0.09795   0.09875   0.10066
     Eigenvalues ---    0.10187   0.10353   0.10452   0.10815   0.10950
     Eigenvalues ---    0.11094   0.11259   0.11389   0.11553   0.13294
     Eigenvalues ---    0.13428   0.14249   0.14788   0.15137   0.15214
     Eigenvalues ---    0.15619   0.15773   0.21309   0.22494   0.22874
     Eigenvalues ---    0.23485   0.24697   0.24728   0.25802   0.26382
     Eigenvalues ---    0.26899   0.27289   0.28351   0.29249   0.29649
     Eigenvalues ---    0.29830   0.30674   0.32805   0.32826   0.32832
     Eigenvalues ---    0.32930   0.33296   0.33351   0.33360   0.33381
     Eigenvalues ---    0.33393   0.33422   0.33514   0.33541   0.33697
     Eigenvalues ---    0.33798   0.33820   0.33837   0.33923   0.33956
     Eigenvalues ---    0.34044   0.34207   0.34280   0.37287   0.39013
     Eigenvalues ---    0.40483   0.40790   0.85958   0.86114   0.86486
     Eigenvalues ---    0.89502
 Eigenvalue     1 is   7.18D-05 Eigenvector:
                         D399      D381      D397      D383      D385
   1                   -0.23605  -0.22925  -0.22356  -0.21834  -0.21725
                         D395      D405      D387      D407      D403
   1                   -0.21673  -0.21572  -0.21561  -0.21534  -0.21436
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    94   93   92   91   90
 RFO step:  Lambda=-2.38441121D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.25D-07 SmlDif=  1.00D-05
 RMS Error=  0.1609877970D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.34476    0.41736   -1.36449    0.52101    0.08136
 Iteration  1 RMS(Cart)=  0.00042185 RMS(Int)=  0.00000067
 Iteration  2 RMS(Cart)=  0.00000035 RMS(Int)=  0.00000018
 ITry= 1 IFail=0 DXMaxC= 2.61D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59566   0.00000  -0.00023  -0.00012  -0.00035   6.59531
    R2        6.26344   0.00000   0.00060  -0.00015   0.00045   6.26389
    R3        7.25283   0.00000   0.00048  -0.00027   0.00021   7.25304
    R4        6.34716   0.00000   0.00018  -0.00025  -0.00007   6.34709
    R5        6.52959   0.00000   0.00041  -0.00008   0.00033   6.52992
    R6        5.97784   0.00000  -0.00054  -0.00035  -0.00088   5.97695
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   A173       2.67855   0.00000  -0.00012  -0.00017  -0.00029   2.67826
   A174       2.10674   0.00000  -0.00001  -0.00020  -0.00021   2.10653
   A175       2.08994   0.00000   0.00007  -0.00008  -0.00001   2.08994
   A176       2.26892   0.00000  -0.00020  -0.00012  -0.00032   2.26860
   A177       2.04959   0.00000  -0.00012  -0.00011  -0.00023   2.04935
   A178       1.63937   0.00000  -0.00013  -0.00013  -0.00026   1.63911
   A179       1.38877   0.00000  -0.00006  -0.00010  -0.00017   1.38860
   A180       2.13464   0.00000   0.00003  -0.00006  -0.00003   2.13461
   A181       1.89117   0.00000  -0.00006  -0.00009  -0.00015   1.89102
   A182       2.26414   0.00000  -0.00006  -0.00013  -0.00019   2.26395
   A183       2.58620   0.00000  -0.00010  -0.00010  -0.00020   2.58600
   A184       2.24697   0.00000   0.00000  -0.00014  -0.00014   2.24683
   A185       2.30793   0.00000   0.00009  -0.00004   0.00005   2.30798
   A186       0.69138   0.00000   0.00000   0.00002   0.00003   0.69140
   A187       0.98226   0.00000  -0.00001   0.00003   0.00002   0.98228
   A188       0.69924   0.00000   0.00001   0.00000   0.00002   0.69925
   A189       2.12309   0.00000   0.00026   0.00021   0.00047   2.12357
   A190       1.74121   0.00000   0.00027   0.00023   0.00051   1.74171
   A191       1.41223   0.00000   0.00028   0.00024   0.00052   1.41276
   A192       1.10697   0.00000   0.00029   0.00023   0.00053   1.10749
   A193       1.62691   0.00000   0.00025   0.00019   0.00044   1.62735
   A194       1.41469   0.00000   0.00021   0.00008   0.00028   1.41497
   A195       0.66693   0.00000  -0.00003   0.00001  -0.00002   0.66691
   A196       2.26140   0.00000   0.00019   0.00014   0.00033   2.26173
   A197       1.86224   0.00000   0.00021   0.00016   0.00037   1.86261
   A198       1.64513   0.00000   0.00023   0.00020   0.00043   1.64556
   A199       1.32484   0.00000   0.00024   0.00017   0.00042   1.32526
   A200       1.61237   0.00000   0.00019   0.00011   0.00030   1.61267
   A201       1.34555   0.00000   0.00017   0.00003   0.00021   1.34575
   A202       0.71100   0.00000   0.00002   0.00002   0.00003   0.71104
   A203       2.64128   0.00000   0.00012   0.00009   0.00021   2.64148
   A204       2.25689   0.00000   0.00016   0.00014   0.00031   2.25719
   A205       2.05721   0.00000   0.00023   0.00023   0.00046   2.05767
   A206       1.73710   0.00000   0.00024   0.00020   0.00044   1.73755
   A207       1.94887   0.00000   0.00013   0.00006   0.00019   1.94906
   A208       1.66660   0.00000   0.00014   0.00001   0.00015   1.66675
   A209       0.83407   0.00000  -0.00001  -0.00002  -0.00003   0.83404
   A210       2.66311   0.00000  -0.00008  -0.00014  -0.00022   2.66289
   A211       2.37581   0.00000   0.00003  -0.00001   0.00002   2.37583
   A212       2.29551   0.00000   0.00015   0.00016   0.00031   2.29582
   A213       1.97905   0.00000   0.00018   0.00014   0.00032   1.97937
   A214       1.99835   0.00000   0.00003  -0.00009  -0.00006   1.99829
   A215       1.72128   0.00000   0.00006  -0.00008  -0.00002   1.72126
   A216       1.93100   0.00000   0.00009   0.00006   0.00015   1.93114
   A217       1.56158   0.00000   0.00010   0.00008   0.00018   1.56176
   A218       1.48889   0.00000   0.00009   0.00011   0.00020   1.48909
   A219       1.19613   0.00000   0.00011   0.00006   0.00016   1.19629
   A220       1.23888   0.00000   0.00012   0.00005   0.00017   1.23906
   A221       0.95828   0.00000   0.00013   0.00001   0.00013   0.95841
   A222       0.72542   0.00000  -0.00003  -0.00002  -0.00005   0.72537
   A223       1.01719   0.00000  -0.00003  -0.00002  -0.00006   1.01713
   A224       0.69758   0.00000  -0.00004   0.00001  -0.00003   0.69755
   A225       0.98098   0.00000  -0.00005   0.00004  -0.00001   0.98097
   A226       0.65789   0.00000  -0.00002   0.00000  -0.00002   0.65787
   A227       0.66218   0.00000  -0.00006   0.00002  -0.00004   0.66214
   A228       0.70397   0.00000  -0.00005   0.00007   0.00001   0.70398
   A229       0.84974   0.00000  -0.00009   0.00001  -0.00008   0.84967
   A230       0.75752   0.00000  -0.00003   0.00000  -0.00003   0.75748
   A231       0.78025   0.00000  -0.00007  -0.00009  -0.00016   0.78009
   A232       1.58908   0.00000   0.00007   0.00002   0.00009   1.58917
   A233       1.86364   0.00000  -0.00047  -0.00002  -0.00049   1.86315
   A234       2.19016   0.00000   0.00002   0.00002   0.00004   2.19020
   A235       2.12919   0.00000   0.00000  -0.00002  -0.00001   2.12918
   A236       1.96346   0.00000  -0.00003   0.00000  -0.00003   1.96343
   A237       2.12392   0.00000  -0.00004  -0.00001  -0.00005   2.12387
   A238       2.12632   0.00000  -0.00001   0.00002   0.00002   2.12634
   A239       2.03227   0.00000   0.00003  -0.00001   0.00002   2.03229
   A240       1.83072   0.00000   0.00019  -0.00003   0.00016   1.83087
   A241       2.54349   0.00000  -0.00013   0.00001  -0.00012   2.54336
   A242       1.91386   0.00000   0.00004   0.00000   0.00003   1.91390
   A243       1.91674   0.00000  -0.00001   0.00003   0.00002   1.91676
   A244       1.91645   0.00000   0.00006  -0.00005   0.00002   1.91647
   A245       1.91014   0.00000  -0.00001  -0.00002  -0.00003   1.91011
   A246       1.90827   0.00000  -0.00007   0.00003  -0.00004   1.90823
   A247       1.89826   0.00000  -0.00002   0.00002   0.00000   1.89825
   A248       1.28274   0.00000   0.00042   0.00017   0.00059   1.28333
   A249       1.90398   0.00000   0.00010   0.00000   0.00010   1.90409
   A250       1.90928   0.00000  -0.00002  -0.00001  -0.00003   1.90926
   A251       1.92818   0.00000   0.00001  -0.00001   0.00001   1.92818
   A252       1.91117   0.00000  -0.00005   0.00001  -0.00004   1.91113
   A253       1.89814   0.00000  -0.00007  -0.00001  -0.00008   1.89807
   A254       1.91296   0.00000   0.00002   0.00001   0.00003   1.91299
   A255       1.72436   0.00000  -0.00008   0.00004  -0.00004   1.72432
   A256       1.76397   0.00000  -0.00002  -0.00003  -0.00005   1.76392
   A257       2.19147   0.00000   0.00001   0.00002   0.00003   2.19150
   A258       2.12959   0.00000   0.00000  -0.00001  -0.00001   2.12958
   A259       1.96192   0.00000  -0.00002  -0.00001  -0.00003   1.96189
   A260       2.12545   0.00000   0.00008  -0.00001   0.00008   2.12553
   A261       2.12281   0.00000   0.00003  -0.00001   0.00002   2.12283
   A262       2.03466   0.00000  -0.00012   0.00002  -0.00010   2.03456
   A263       1.35870   0.00000   0.00040   0.00008   0.00047   1.35917
   A264       1.90082   0.00000  -0.00001   0.00002   0.00001   1.90082
   A265       1.93106   0.00000  -0.00003   0.00000  -0.00003   1.93103
   A266       1.90978   0.00000   0.00003  -0.00002   0.00001   1.90980
   A267       1.89684   0.00000  -0.00003   0.00000  -0.00004   1.89680
   A268       1.91387   0.00000   0.00007  -0.00001   0.00006   1.91393
   A269       1.91136   0.00000  -0.00002   0.00001  -0.00001   1.91135
   A270       2.67225   0.00000   0.00004   0.00009   0.00013   2.67238
   A271       1.69075   0.00000  -0.00006  -0.00008  -0.00015   1.69061
   A272       1.92506   0.00000   0.00003  -0.00001   0.00001   1.92507
   A273       1.91262   0.00000  -0.00002   0.00000  -0.00002   1.91260
   A274       1.91372   0.00000   0.00004   0.00000   0.00004   1.91376
   A275       1.89410   0.00000  -0.00006   0.00001  -0.00005   1.89406
   A276       1.91103   0.00000   0.00000   0.00000   0.00000   1.91103
   A277       1.90711   0.00000   0.00001   0.00000   0.00001   1.90712
   A278       1.80973   0.00001  -0.00023   0.00007  -0.00016   1.80957
   A279       1.75326  -0.00002   0.00008  -0.00014  -0.00006   1.75321
   A280       2.18985   0.00000  -0.00003  -0.00001  -0.00004   2.18981
   A281       2.13048   0.00000   0.00003   0.00001   0.00004   2.13052
   A282       1.96279  -0.00001   0.00000   0.00000   0.00000   1.96279
   A283       2.12264   0.00000   0.00001   0.00003   0.00004   2.12268
   A284       2.11503   0.00000  -0.00004  -0.00002  -0.00006   2.11497
   A285       2.04252   0.00000   0.00006   0.00000   0.00006   2.04258
   A286       2.70149  -0.00001   0.00008   0.00014   0.00022   2.70171
   A287       1.65762   0.00001  -0.00011  -0.00015  -0.00026   1.65736
   A288       1.92661   0.00000   0.00000  -0.00003  -0.00003   1.92658
   A289       1.91489   0.00000  -0.00004  -0.00001  -0.00005   1.91484
   A290       1.91220   0.00000   0.00000   0.00000   0.00000   1.91220
   A291       1.89123  -0.00001   0.00004   0.00001   0.00005   1.89129
   A292       1.91247   0.00000   0.00003   0.00001   0.00003   1.91250
   A293       1.90621   0.00001  -0.00003   0.00002  -0.00001   1.90621
   A294       1.34990   0.00000  -0.00058  -0.00022  -0.00080   1.34910
   A295       1.15433   0.00000   0.00026   0.00016   0.00042   1.15475
   A296       1.93293   0.00000   0.00006   0.00002   0.00008   1.93300
   A297       1.90725   0.00000  -0.00003   0.00000  -0.00004   1.90722
   A298       1.90197   0.00000  -0.00004  -0.00001  -0.00005   1.90191
   A299       1.90920   0.00000   0.00002   0.00001   0.00002   1.90922
   A300       1.89833   0.00000   0.00005   0.00002   0.00007   1.89840
   A301       1.91409   0.00000  -0.00005  -0.00003  -0.00008   1.91401
   A302       1.64614   0.00000  -0.00005   0.00027   0.00022   1.64636
   A303       1.80640   0.00000  -0.00018   0.00004  -0.00014   1.80627
   A304       2.18928   0.00000   0.00001  -0.00003  -0.00002   2.18925
   A305       2.13011   0.00000  -0.00003   0.00003  -0.00001   2.13010
   A306       1.96345   0.00000   0.00002   0.00001   0.00003   1.96348
   A307       2.12537  -0.00001  -0.00001  -0.00007  -0.00008   2.12529
   A308       2.12392   0.00000   0.00003   0.00001   0.00004   2.12396
   A309       2.03043   0.00001  -0.00003   0.00009   0.00006   2.03049
   A310       1.30199   0.00000   0.00001  -0.00041  -0.00040   1.30159
   A311       3.04772   0.00001  -0.00011   0.00048   0.00037   3.04809
   A312       1.91196   0.00000  -0.00003  -0.00003  -0.00006   1.91189
   A313       1.93004   0.00000   0.00001  -0.00002  -0.00001   1.93003
   A314       1.90192   0.00000   0.00003  -0.00003  -0.00001   1.90191
   A315       1.91139   0.00000   0.00004   0.00000   0.00004   1.91143
   A316       1.91185  -0.00001  -0.00005   0.00001  -0.00004   1.91182
   A317       1.89653   0.00001   0.00000   0.00008   0.00008   1.89661
   A318       1.78540   0.00000   0.00002  -0.00034  -0.00033   1.78507
   A319       1.91587   0.00000   0.00004  -0.00002   0.00002   1.91589
   A320       1.91418   0.00000   0.00001  -0.00002  -0.00001   1.91417
   A321       1.92032   0.00000  -0.00001   0.00005   0.00004   1.92036
   A322       1.90726   0.00000   0.00007  -0.00003   0.00004   1.90730
   A323       1.91050   0.00000  -0.00008   0.00001  -0.00006   1.91044
   A324       1.89553   0.00000  -0.00003   0.00000  -0.00003   1.89550
   A325       2.93787   0.00000  -0.00042  -0.00015  -0.00057   2.93730
   A326       3.36596   0.00000  -0.00011   0.00010   0.00000   3.36596
   A327       3.08446   0.00000  -0.00014   0.00008  -0.00006   3.08439
   A328       3.19570   0.00000   0.00044   0.00018   0.00062   3.19632
   A329       3.27006   0.00000   0.00037   0.00009   0.00046   3.27052
   A330       3.25909   0.00000  -0.00056  -0.00021  -0.00078   3.25832
   A331       3.69590   0.00000  -0.00006  -0.00033  -0.00039   3.69551
   A332       3.22066   0.00001   0.00038   0.00020   0.00058   3.22125
   A333       2.97461   0.00000  -0.00018  -0.00019  -0.00037   2.97424
   A334       2.90800   0.00000  -0.00008  -0.00011  -0.00019   2.90781
   A335       3.22860   0.00000   0.00035   0.00006   0.00041   3.22900
   A336       3.07718   0.00000  -0.00015  -0.00007  -0.00022   3.07695
   A337       3.10386   0.00000   0.00004   0.00009   0.00013   3.10399
   A338       3.04588   0.00000   0.00003   0.00002   0.00005   3.04593
    D1        2.75794   0.00000  -0.00007   0.00003  -0.00003   2.75791
    D2       -1.36128   0.00000  -0.00015   0.00002  -0.00012  -1.36140
    D3        2.78086   0.00000   0.00002   0.00003   0.00005   2.78091
    D4       -1.33836   0.00000  -0.00006   0.00002  -0.00004  -1.33840
    D5        1.66186   0.00000  -0.00001   0.00002   0.00001   1.66187
    D6       -2.45736   0.00000  -0.00009   0.00001  -0.00008  -2.45744
    D7        1.84332   0.00000  -0.00014  -0.00002  -0.00016   1.84316
    D8       -2.27590   0.00000  -0.00022  -0.00003  -0.00025  -2.27615
    D9        0.31422   0.00000  -0.00069  -0.00035  -0.00104   0.31318
   D10        2.47818   0.00000  -0.00077  -0.00037  -0.00113   2.47705
   D11        0.02929   0.00000  -0.00044  -0.00020  -0.00064   0.02865
   D12        2.19325   0.00000  -0.00052  -0.00021  -0.00073   2.19252
   D13       -0.43980   0.00000  -0.00036  -0.00018  -0.00053  -0.44034
   D14        1.72416   0.00000  -0.00044  -0.00019  -0.00062   1.72354
   D15       -0.56045   0.00000  -0.00025  -0.00010  -0.00035  -0.56080
   D16        1.60351   0.00000  -0.00033  -0.00012  -0.00044   1.60307
   D17        0.21022   0.00000  -0.00024  -0.00004  -0.00028   0.20994
   D18        2.37419   0.00000  -0.00032  -0.00006  -0.00038   2.37382
   D19        0.14362   0.00000  -0.00014   0.00003  -0.00011   0.14351
   D20        2.30758   0.00000  -0.00021   0.00002  -0.00020   2.30739
   D21        2.39804   0.00000  -0.00035  -0.00011  -0.00046   2.39758
   D22       -1.72118   0.00000  -0.00043  -0.00012  -0.00055  -1.72173
   D23        2.15496   0.00000  -0.00028  -0.00009  -0.00037   2.15459
   D24       -1.96426   0.00000  -0.00036  -0.00010  -0.00046  -1.96472
   D25        1.71247   0.00000  -0.00034  -0.00014  -0.00048   1.71199
   D26       -2.40675   0.00000  -0.00041  -0.00015  -0.00057  -2.40732
   D27        1.40575   0.00000  -0.00034  -0.00016  -0.00050   1.40525
   D28       -2.71347   0.00000  -0.00042  -0.00018  -0.00059  -2.71406
   D29        2.36575   0.00000  -0.00005   0.00000  -0.00005   2.36570
   D30       -1.75347   0.00000  -0.00013  -0.00001  -0.00014  -1.75362
   D31       -1.75029   0.00000  -0.00012   0.00011  -0.00001  -1.75029
   D32        0.41368   0.00000  -0.00020   0.00010  -0.00010   0.41358
   D33       -2.10039   0.00000  -0.00008   0.00016   0.00007  -2.10032
   D34        0.06358   0.00000  -0.00016   0.00014  -0.00002   0.06356
   D35       -2.47545   0.00000  -0.00009   0.00013   0.00004  -2.47541
   D36       -0.31149   0.00000  -0.00017   0.00012  -0.00005  -0.31154
   D37       -2.76438   0.00000  -0.00006   0.00014   0.00009  -2.76429
   D38       -0.60042   0.00000  -0.00013   0.00013   0.00000  -0.60042
   D39       -2.12610   0.00000  -0.00004   0.00021   0.00017  -2.12593
   D40        0.03787   0.00000  -0.00012   0.00019   0.00008   0.03794
   D41       -2.36770   0.00000   0.00004   0.00011   0.00014  -2.36756
   D42       -0.20373   0.00000  -0.00004   0.00009   0.00005  -0.20368
   D43        1.26291   0.00000  -0.00013   0.00002  -0.00011   1.26280
   D44       -1.92844   0.00000  -0.00041   0.00004  -0.00037  -1.92881
   D45        2.45714   0.00000  -0.00008   0.00002  -0.00007   2.45708
   D46       -0.73421   0.00000  -0.00036   0.00003  -0.00032  -0.73453
   D47        2.94304   0.00000  -0.00016  -0.00001  -0.00017   2.94287
   D48       -0.24831   0.00000  -0.00043   0.00001  -0.00043  -0.24874
   D49        2.86775   0.00000  -0.00052  -0.00005  -0.00057   2.86718
   D50       -0.32360   0.00000  -0.00079  -0.00003  -0.00083  -0.32443
   D51        2.04600   0.00000  -0.00084  -0.00032  -0.00116   2.04484
   D52       -1.14535   0.00000  -0.00111  -0.00030  -0.00141  -1.14677
   D53        1.15175  -0.00001  -0.00064  -0.00037  -0.00100   1.15074
   D54       -2.03960  -0.00001  -0.00091  -0.00035  -0.00126  -2.04087
   D55        1.01376  -0.00001  -0.00029  -0.00013  -0.00042   1.01334
   D56       -2.17759   0.00000  -0.00057  -0.00011  -0.00068  -2.17827
   D57        2.02221   0.00000  -0.00034  -0.00003  -0.00038   2.02183
   D58       -1.16915   0.00000  -0.00062  -0.00002  -0.00063  -1.16978
   D59        1.82669   0.00000  -0.00022   0.00002  -0.00020   1.82649
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   D282       0.77803   0.00000  -0.00011  -0.00016  -0.00028   0.77776
   D283      -2.59090   0.00000  -0.00019  -0.00021  -0.00040  -2.59130
   D284       1.57682   0.00000  -0.00027  -0.00005  -0.00033   1.57650
   D285      -2.63884   0.00000  -0.00009  -0.00003  -0.00013  -2.63897
   D286       1.63879   0.00000  -0.00026  -0.00005  -0.00031   1.63847
   D287      -2.57688   0.00000  -0.00008  -0.00004  -0.00012  -2.57700
   D288       1.32833   0.00000  -0.00026  -0.00009  -0.00034   1.32799
   D289      -2.88733   0.00000  -0.00008  -0.00007  -0.00015  -2.88748
   D290       1.24039   0.00000  -0.00031  -0.00008  -0.00039   1.24000
   D291      -2.97528   0.00000  -0.00013  -0.00006  -0.00020  -2.97547
   D292       2.03544   0.00000  -0.00030  -0.00004  -0.00034   2.03510
   D293      -2.18022   0.00000  -0.00012  -0.00003  -0.00015  -2.18037
   D294       2.01731   0.00000  -0.00021  -0.00003  -0.00024   2.01707
   D295      -2.19835   0.00000  -0.00003  -0.00001  -0.00004  -2.19840
   D296      -2.29485   0.00000   0.00013   0.00019   0.00032  -2.29453
   D297      -0.22733   0.00000   0.00031   0.00021   0.00052  -0.22681
   D298      -2.27071   0.00000   0.00001   0.00010   0.00010  -2.27061
   D299      -0.20319   0.00000   0.00018   0.00011   0.00030  -0.20289
   D300      -1.88351   0.00000  -0.00006   0.00008   0.00002  -1.88349
   D301       0.18401   0.00000   0.00012   0.00009   0.00021   0.18422
   D302      -1.82047   0.00000  -0.00010   0.00004  -0.00005  -1.82052
   D303       0.24705   0.00000   0.00008   0.00006   0.00014   0.24719
   D304      -2.61750   0.00000  -0.00008   0.00003  -0.00005  -2.61755
   D305      -0.54998   0.00000   0.00010   0.00005   0.00015  -0.54983
   D306      -2.74094   0.00000  -0.00015  -0.00002  -0.00017  -2.74111
   D307      -0.67342   0.00000   0.00003  -0.00001   0.00003  -0.67339
   D308       1.52729   0.00000   0.00019   0.00012   0.00030   1.52759
   D309      -2.68837   0.00000   0.00036   0.00013   0.00050  -2.68788
   D310       2.62744   0.00000   0.00017   0.00014   0.00031   2.62775
   D311      -1.58822   0.00000   0.00035   0.00016   0.00051  -1.58772
   D312       3.01210   0.00000   0.00016   0.00019   0.00036   3.01246
   D313      -1.20356   0.00000   0.00034   0.00021   0.00055  -1.20301
   D314      -0.48046   0.00000  -0.00012  -0.00015  -0.00027  -0.48072
   D315       1.58706   0.00000   0.00006  -0.00013  -0.00007   1.58699
   D316      -0.32153   0.00000  -0.00012  -0.00016  -0.00028  -0.32180
   D317       1.74599   0.00000   0.00006  -0.00014  -0.00008   1.74591
   D318       0.10558   0.00000  -0.00014  -0.00013  -0.00027   0.10531
   D319       2.17310   0.00000   0.00004  -0.00011  -0.00007   2.17303
   D320       0.23956   0.00000  -0.00015  -0.00018  -0.00033   0.23923
   D321       2.30708   0.00000   0.00003  -0.00017  -0.00014   2.30694
   D322      -0.56942   0.00000  -0.00008  -0.00016  -0.00024  -0.56967
   D323       1.49810   0.00000   0.00010  -0.00015  -0.00005   1.49805
   D324      -0.61429   0.00000  -0.00001  -0.00004  -0.00005  -0.61435
   D325       1.45322   0.00000   0.00017  -0.00002   0.00014   1.45337
   D326       0.09151   0.00000  -0.00002  -0.00020  -0.00022   0.09129
   D327       2.26316   0.00000  -0.00011  -0.00007  -0.00019   2.26298
   D328       0.39534   0.00000  -0.00002  -0.00023  -0.00025   0.39509
   D329       2.56700   0.00000  -0.00012  -0.00009  -0.00021   2.56678
   D330       0.76305   0.00000  -0.00008  -0.00019  -0.00026   0.76279
   D331       2.93471   0.00000  -0.00017  -0.00006  -0.00023   2.93448
   D332       1.04302   0.00000  -0.00012  -0.00018  -0.00030   1.04273
   D333      -3.06851   0.00000  -0.00021  -0.00005  -0.00026  -3.06877
   D334       0.32847   0.00000   0.00002  -0.00028  -0.00026   0.32822
   D335       2.50013   0.00000  -0.00008  -0.00015  -0.00022   2.49990
   D336       0.72109   0.00000  -0.00021  -0.00032  -0.00054   0.72055
   D337       2.89274   0.00000  -0.00031  -0.00019  -0.00050   2.89224
   D338      -2.32315   0.00000   0.00011  -0.00015  -0.00004  -2.32318
   D339      -0.15149   0.00000   0.00001  -0.00002   0.00000  -0.15150
   D340      -1.94747   0.00000   0.00013  -0.00014  -0.00001  -1.94748
   D341       0.22419   0.00000   0.00003  -0.00001   0.00002   0.22421
   D342      -1.89795   0.00000   0.00026  -0.00005   0.00021  -1.89774
   D343       0.27371   0.00000   0.00017   0.00008   0.00024   0.27395
   D344      -1.59832   0.00000   0.00028   0.00000   0.00028  -1.59804
   D345       0.57333   0.00000   0.00019   0.00013   0.00032   0.57365
   D346      -1.58029   0.00000   0.00007  -0.00021  -0.00013  -1.58042
   D347       0.59137   0.00000  -0.00002  -0.00008  -0.00010   0.59127
   D348      -1.27997   0.00000   0.00008  -0.00019  -0.00011  -1.28008
   D349       0.89168   0.00000  -0.00001  -0.00006  -0.00007   0.89161
   D350       1.86434   0.00000  -0.00001  -0.00010  -0.00011   1.86423
   D351      -2.24719   0.00000  -0.00011   0.00003  -0.00007  -2.24726
   D352       2.30367   0.00000   0.00011   0.00000   0.00012   2.30378
   D353      -1.80786   0.00000   0.00002   0.00013   0.00015  -1.80772
   D354       2.57310   0.00000   0.00040   0.00030   0.00070   2.57380
   D355      -1.53843   0.00000   0.00030   0.00043   0.00073  -1.53769
   D356      -3.07820   0.00000   0.00042   0.00034   0.00076  -3.07744
   D357      -0.90654   0.00000   0.00033   0.00047   0.00079  -0.90575
   D358       2.61895   0.00000   0.00002  -0.00009  -0.00007   2.61889
   D359      -1.49258   0.00000  -0.00007   0.00004  -0.00003  -1.49261
   D360       1.63837   0.00000   0.00002  -0.00018  -0.00016   1.63820
   D361      -2.47316   0.00000  -0.00008  -0.00005  -0.00013  -2.47329
   D362       1.81312   0.00000  -0.00001  -0.00008  -0.00009   1.81303
   D363      -2.29841   0.00000  -0.00010   0.00005  -0.00006  -2.29846
   D364       2.75010   0.00000  -0.00002  -0.00006  -0.00009   2.75001
   D365      -1.36143   0.00000  -0.00012   0.00007  -0.00005  -1.36149
   D366       2.75071   0.00000  -0.00006  -0.00020  -0.00026   2.75045
   D367      -1.36082   0.00000  -0.00016  -0.00007  -0.00023  -1.36105
   D368       0.06433   0.00000  -0.00011  -0.00021  -0.00032   0.06400
   D369      -2.38619   0.00000   0.00035   0.00054   0.00090  -2.38529
   D370       0.46367   0.00000  -0.00010  -0.00020  -0.00031   0.46336
   D371      -1.98685   0.00000   0.00036   0.00055   0.00091  -1.98593
   D372       0.67671   0.00000  -0.00013  -0.00016  -0.00029   0.67643
   D373      -1.77380   0.00000   0.00033   0.00060   0.00093  -1.77287
   D374       0.94725   0.00000  -0.00017  -0.00014  -0.00031   0.94693
   D375      -1.50327   0.00000   0.00029   0.00062   0.00091  -1.50236
   D376       0.70502   0.00000  -0.00014  -0.00023  -0.00037   0.70466
   D377      -1.74549   0.00000   0.00033   0.00053   0.00085  -1.74464
   D378       1.04636   0.00000  -0.00017  -0.00021  -0.00038   1.04598
   D379      -1.40416   0.00000   0.00030   0.00054   0.00084  -1.40332
   D380      -2.73885   0.00000   0.00039   0.00015   0.00054  -2.73831
   D381       1.09382   0.00000   0.00085   0.00091   0.00176   1.09558
   D382      -2.19472   0.00000   0.00034   0.00005   0.00039  -2.19433
   D383       1.63795   0.00000   0.00080   0.00081   0.00161   1.63956
   D384      -1.95802   0.00000   0.00037   0.00005   0.00042  -1.95760
   D385       1.87465   0.00000   0.00083   0.00081   0.00164   1.87629
   D386      -1.62996   0.00000   0.00034   0.00003   0.00037  -1.62959
   D387       2.20272   0.00000   0.00080   0.00079   0.00159   2.20430
   D388      -1.69656   0.00000   0.00021  -0.00016   0.00004  -1.69652
   D389       2.13611   0.00000   0.00067   0.00059   0.00126   2.13738
   D390      -1.12632   0.00000   0.00012  -0.00024  -0.00011  -1.12643
   D391       2.70636   0.00000   0.00059   0.00052   0.00111   2.70746
   D392       1.79975   0.00000   0.00000  -0.00012  -0.00012   1.79963
   D393      -0.65076   0.00000   0.00046   0.00063   0.00110  -0.64967
   D394       2.10279   0.00000   0.00006  -0.00009  -0.00003   2.10275
   D395      -0.34772   0.00000   0.00052   0.00067   0.00118  -0.34654
   D396       2.05709   0.00000   0.00016  -0.00001   0.00015   2.05724
   D397      -0.39342   0.00000   0.00062   0.00075   0.00136  -0.39205
   D398       2.26772   0.00000   0.00029   0.00016   0.00045   2.26817
   D399      -0.18280   0.00000   0.00075   0.00092   0.00167  -0.18112
   D400       2.50022   0.00000   0.00002  -0.00012  -0.00011   2.50012
   D401       0.04971   0.00000   0.00048   0.00063   0.00111   0.05082
   D402      -1.53623   0.00000   0.00007  -0.00017  -0.00010  -1.53633
   D403       2.29644   0.00000   0.00053   0.00059   0.00112   2.29756
   D404      -2.63293   0.00000   0.00007  -0.00015  -0.00008  -2.63300
   D405       1.19975   0.00000   0.00054   0.00061   0.00114   1.20089
   D406      -2.98178   0.00000   0.00004  -0.00023  -0.00019  -2.98197
   D407       0.85090   0.00000   0.00050   0.00052   0.00103   0.85192
   D408       1.91482   0.00000  -0.00007   0.00001  -0.00006   1.91476
   D409       2.41288   0.00000  -0.00016   0.00003  -0.00014   2.41275
   D410       2.64342   0.00000  -0.00016   0.00010  -0.00006   2.64336
   D411       2.87594   0.00000  -0.00021   0.00013  -0.00008   2.87587
   D412       2.84531   0.00000  -0.00044   0.00002  -0.00041   2.84490
   D413      -2.94114   0.00000  -0.00032   0.00018  -0.00015  -2.94129
   D414      -0.74801   0.00000   0.00029   0.00031   0.00060  -0.74741
   D415      -0.36861   0.00000   0.00028   0.00030   0.00058  -0.36803
   D416      -0.05636   0.00000   0.00035   0.00037   0.00072  -0.05564
   D417       0.25162   0.00000   0.00033   0.00037   0.00070   0.25233
   D418      -0.23784   0.00000   0.00022   0.00020   0.00041  -0.23742
   D419       0.07092   0.00000   0.00022   0.00014   0.00036   0.07127
   D420      -2.55606   0.00000   0.00018   0.00028   0.00045  -2.55561
   D421      -2.17444   0.00000   0.00019   0.00028   0.00047  -2.17397
   D422      -1.92585   0.00000   0.00027   0.00039   0.00066  -1.92519
   D423      -1.61066   0.00000   0.00028   0.00043   0.00072  -1.60994
   D424      -1.96465   0.00000   0.00009   0.00018   0.00027  -1.96438
   D425       1.30675   0.00000   0.00004   0.00019   0.00023   1.30698
   D426       2.47205   0.00000   0.00006   0.00010   0.00016   2.47221
   D427       2.94799   0.00000   0.00005   0.00015   0.00020   2.94819
   D428      -3.07242   0.00000  -0.00012   0.00007  -0.00005  -3.07247
   D429       0.02829   0.00000  -0.00059   0.00001  -0.00058   0.02772
   D430       0.04031   0.00000  -0.00019   0.00005  -0.00014   0.04017
   D431       3.14103   0.00000  -0.00066  -0.00001  -0.00067   3.14036
   D432      -0.08390   0.00000  -0.00062  -0.00001  -0.00063  -0.08453
   D433       2.01567   0.00000  -0.00061  -0.00002  -0.00063   2.01504
   D434      -2.18098   0.00000  -0.00060  -0.00001  -0.00061  -2.18159
   D435       3.09649   0.00000  -0.00018   0.00004  -0.00013   3.09635
   D436      -1.08714   0.00000  -0.00016   0.00003  -0.00013  -1.08727
   D437       0.99941   0.00000  -0.00016   0.00004  -0.00011   0.99929
   D438      -2.37052   0.00000   0.00097   0.00017   0.00114  -2.36938
   D439      -0.28033   0.00000   0.00096   0.00018   0.00114  -0.27919
   D440       1.82699   0.00000   0.00098   0.00018   0.00116   1.82816
   D441       0.73223   0.00000   0.00052   0.00012   0.00064   0.73287
   D442       2.82242   0.00000   0.00051   0.00012   0.00064   2.82305
   D443      -1.35345   0.00000   0.00053   0.00013   0.00066  -1.35278
   D444      -0.00096   0.00000   0.00005   0.00007   0.00012  -0.00084
   D445       3.11487   0.00000  -0.00017   0.00000  -0.00017   3.11469
   D446      -3.12077   0.00000   0.00004   0.00008   0.00012  -3.12065
   D447      -0.00494   0.00000  -0.00019   0.00002  -0.00017  -0.00511
   D448       2.42014   0.00000  -0.00052  -0.00014  -0.00065   2.41948
   D449      -1.77921   0.00000  -0.00058  -0.00013  -0.00071  -1.77992
   D450       0.32828   0.00000  -0.00061  -0.00013  -0.00074   0.32754
   D451      -0.69692   0.00000  -0.00030  -0.00007  -0.00038  -0.69730
   D452       1.38692   0.00000  -0.00037  -0.00007  -0.00044   1.38648
   D453      -2.78878   0.00000  -0.00040  -0.00007  -0.00046  -2.78925
   D454       2.05425   0.00000   0.00016  -0.00011   0.00006   2.05431
   D455      -2.14475   0.00000   0.00009  -0.00010   0.00000  -2.14476
   D456      -0.05157   0.00000   0.00012  -0.00009   0.00002  -0.05154
   D457      -1.11184   0.00000  -0.00005  -0.00017  -0.00022  -1.11205
   D458       0.97235   0.00000  -0.00012  -0.00016  -0.00028   0.97207
   D459       3.06553   0.00000  -0.00010  -0.00016  -0.00025   3.06528
   D460      -3.08392   0.00001  -0.00032  -0.00001  -0.00033  -3.08425
   D461      -0.02781   0.00001   0.00013   0.00011   0.00024  -0.02757
   D462       0.07026   0.00002  -0.00029   0.00005  -0.00024   0.07001
   D463       3.12637   0.00002   0.00015   0.00017   0.00032   3.12669
   D464       1.92928   0.00001   0.00013  -0.00009   0.00004   1.92932
   D465      -2.27087   0.00000   0.00015  -0.00010   0.00006  -2.27082
   D466      -0.17832   0.00001   0.00009  -0.00008   0.00002  -0.17831
   D467      -1.13023   0.00001  -0.00029  -0.00020  -0.00050  -1.13072
   D468       0.95281   0.00000  -0.00027  -0.00021  -0.00048   0.95233
   D469       3.04536   0.00001  -0.00033  -0.00019  -0.00052   3.04484
   D470      -1.63417   0.00000   0.00026   0.00023   0.00049  -1.63368
   D471       0.47017   0.00000   0.00030   0.00025   0.00055   0.47072
   D472       2.56149   0.00000   0.00019   0.00020   0.00039   2.56188
   D473       1.42571   0.00000   0.00068   0.00035   0.00103   1.42675
   D474      -2.75313   0.00000   0.00072   0.00037   0.00109  -2.75204
   D475      -0.66181   0.00000   0.00061   0.00032   0.00093  -0.66088
   D476       0.00358   0.00000  -0.00013   0.00009  -0.00004   0.00354
   D477      -3.04540   0.00000  -0.00001  -0.00027  -0.00028  -3.04569
   D478       3.11693   0.00000  -0.00027   0.00013  -0.00014   3.11680
   D479       0.06795   0.00000  -0.00015  -0.00024  -0.00038   0.06757
   D480      -0.30611   0.00000   0.00021  -0.00090  -0.00068  -0.30679
   D481       1.80217  -0.00001   0.00025  -0.00093  -0.00068   1.80149
   D482      -2.39749   0.00000   0.00028  -0.00087  -0.00059  -2.39808
   D483       2.74757   0.00000   0.00010  -0.00055  -0.00045   2.74712
   D484      -1.42734  -0.00001   0.00014  -0.00059  -0.00045  -1.42778
   D485       0.65619   0.00000   0.00016  -0.00053  -0.00036   0.65583
   D486      -0.09249   0.00000  -0.00009   0.00077   0.00068  -0.09181
   D487       2.00318   0.00000   0.00002   0.00071   0.00073   2.00391
   D488      -2.19601   0.00000  -0.00002   0.00073   0.00071  -2.19530
   D489       3.13694   0.00000   0.00002   0.00043   0.00045   3.13739
   D490      -1.05057   0.00000   0.00014   0.00037   0.00050  -1.05007
   D491       1.03342   0.00000   0.00009   0.00039   0.00049   1.03391
         Item               Value     Threshold  Converged?
 Maximum Force            0.000023     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.002607     0.001800     NO 
 RMS     Displacement     0.000422     0.001200     YES
 Predicted change in Energy=-1.136236D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:20:34 2016, MaxMem=  2952790016 cpu:         8.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.822459   -0.586253    1.667921
      2          6           0       -2.069745    1.117814   -1.367819
      3          8           0       -2.619396    0.137453   -1.899618
      4          7           0       -0.777297    1.165637   -0.944702
      5          1           0       -2.618429    2.058777   -1.162217
      6          6           0       -0.238373    2.335916   -0.251183
      7          1           0       -0.994864    3.132571   -0.227712
      8          1           0        0.040027    2.063952    0.779851
      9          1           0        0.659492    2.700636   -0.776366
     10          6           0        0.133310    0.030610   -1.113236
     11          1           0        0.700535   -0.117709   -0.181052
     12          1           0       -0.448364   -0.873436   -1.336056
     13          1           0        0.844004    0.224787   -1.933491
     14          6           0       -2.010069   -3.996146    2.626422
     15          8           0       -2.134592   -3.842098    3.853431
     16          7           0       -2.947899   -3.685512    1.690510
     17          1           0       -1.079601   -4.395239    2.175836
     18          6           0       -4.246956   -3.117394    2.058853
     19          1           0       -4.505197   -2.322218    1.341480
     20          1           0       -5.032599   -3.890712    2.026879
     21          1           0       -4.187620   -2.696731    3.070813
     22          6           0       -2.696886   -3.872503    0.261199
     23          1           0       -3.405331   -4.605297   -0.158853
     24          1           0       -2.831083   -2.913632   -0.266112
     25          1           0       -1.668301   -4.228612    0.110121
     26          6           0        1.565872    0.373938    2.608170
     27          8           0        1.401267    1.392913    3.300141
     28          7           0        1.179529   -0.884956    2.951937
     29          1           0        2.048060    0.411341    1.611440
     30          6           0        1.478988   -2.038269    2.102456
     31          1           0        2.227830   -2.687720    2.586308
     32          1           0        0.562367   -2.627425    1.938988
     33          1           0        1.863550   -1.691465    1.133550
     34          6           0        0.537623   -1.156065    4.240833
     35          1           0        1.285175   -1.458633    4.993963
     36          1           0        0.019304   -0.251896    4.584722
     37          1           0       -0.187588   -1.972744    4.114220
     38          6           0       -4.608761    1.092827    2.907812
     39          8           0       -4.855767    1.669791    1.834870
     40          7           0       -3.538811    1.343853    3.710651
     41          1           0       -5.249883    0.276957    3.298160
     42          6           0       -2.541433    2.362519    3.371026
     43          1           0       -2.621418    2.613888    2.305359
     44          1           0       -2.694000    3.271324    3.976297
     45          1           0       -1.537174    1.963982    3.580857
     46          6           0       -3.262119    0.534856    4.898077
     47          1           0       -4.075814   -0.186595    5.054121
     48          1           0       -2.312503   -0.010604    4.762941
     49          1           0       -3.171831    1.183654    5.784099
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490088   0.000000
     3  O    3.726419   1.243396   0.000000
     4  N    3.314707   1.360785   2.315676   0.000000
     5  H    3.954673   1.108485   2.057971   2.057858   0.000000
     6  C    3.838145   2.466692   3.635911   1.463202   2.563486
     7  H    4.255349   2.552344   3.795406   2.104814   2.159236
     8  H    3.358737   3.155757   4.238335   2.109283   3.292271
     9  H    4.789391   3.209965   4.310767   2.109247   3.362385
    10  C    3.455487   2.469873   2.864821   1.464887   3.418761
    11  H    3.162868   3.257204   3.747068   2.100982   4.088435
    12  H    3.315795   2.568065   2.460259   2.102182   3.652023
    13  H    4.553898   3.099583   3.464666   2.119320   3.993347
    14  C    3.547011   6.489230   6.159786   6.396613   7.168401
    15  O    3.933752   7.201832   7.012092   7.066947   7.759584
    16  N    3.297352   5.761638   5.254712   5.932074   6.422107
    17  H    3.913846   6.628094   6.286938   6.383768   7.427309
    18  C    3.526710   5.866797   5.377032   6.277279   6.310320
    19  H    3.212043   5.010544   4.484524   5.593658   5.387162
    20  H    4.620963   6.737048   6.121033   7.246003   7.169028
    21  H    3.466440   6.223953   5.932716   6.532423   6.557115
    22  C    3.680072   5.286801   4.555753   5.524661   6.100192
    23  H    4.689915   5.999949   5.112889   6.389664   6.784971
    24  H    3.189749   4.248052   3.467315   4.617246   5.056983
    25  H    3.964503   5.561450   4.899608   5.568165   6.484817
    26  C    3.645110   5.438708   6.155692   4.328987   5.879020
    27  O    4.119910   5.823526   6.691742   4.776661   6.042680
    28  N    3.278697   5.764474   6.246178   4.818495   6.325845
    29  H    3.997412   5.131413   5.847024   3.884001   5.673036
    30  C    3.632730   5.881936   6.127570   4.963971   6.650767
    31  H    4.654508   6.970391   7.183365   6.028862   7.750284
    32  H    3.150755   5.647105   5.701145   4.949513   6.457199
    33  H    3.885063   5.442398   5.713305   4.410922   6.278774
    34  C    3.537591   6.589831   7.024607   5.831731   7.034830
    35  H    4.634760   7.639754   8.081747   6.812366   8.093755
    36  H    3.465778   6.455461   7.011491   5.763550   6.732322
    37  H    3.252620   6.568623   6.821500   5.982465   7.071275
    38  C    3.481395   4.972751   5.289773   5.433902   4.632453
    39  O    3.783988   4.280632   4.614739   4.961261   3.760255
    40  N    3.293010   5.291512   5.811699   5.415721   5.010296
    41  H    3.892306   5.708913   5.827163   6.228617   5.476714
    42  C    3.480337   4.922238   5.721598   4.813545   4.544060
    43  H    3.359400   4.004350   4.880017   4.007632   3.511729
    44  H    4.579201   5.795418   6.659812   5.685411   5.280181
    45  H    3.200689   5.048666   5.877331   4.657838   4.865681
    46  C    3.709907   6.404924   6.839568   6.380462   6.282025
    47  H    4.087014   6.853256   7.112008   6.978154   6.768200
    48  H    3.186010   6.238467   6.671267   6.026408   6.283584
    49  H    4.679348   7.236633   7.774268   7.142191   7.023063
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098859   0.000000
     8  H    1.102044   1.796700   0.000000
     9  H    1.102271   1.795685   1.791903   0.000000
    10  C    2.489120   3.417469   2.779741   2.742150   0.000000
    11  H    2.628068   3.666180   2.473712   2.880826   1.101231
    12  H    3.394257   4.192276   3.652922   3.783462   1.097858
    13  H    2.908361   3.840094   3.375075   2.739126   1.102547
    14  C    7.177361   7.745665   6.658641   7.971977   5.898634
    15  O    7.655805   8.160926   7.004091   8.488186   6.693955
    16  N    6.882536   7.347121   6.543191   7.738323   5.582509
    17  H    7.204619   7.902668   6.702499   7.879809   5.645998
    18  C    7.151475   7.407196   6.845467   8.121649   6.257700
    19  H    6.514643   6.673795   6.341371   7.509218   5.751277
    20  H    8.181996   8.409102   7.921152   9.148987   7.205811
    21  H    7.208310   7.419887   6.766506   8.211386   6.604172
    22  C    6.697110   7.225440   6.557530   7.453052   5.013320
    23  H    7.630110   8.104918   7.565087   8.383363   5.909692
    24  H    5.854923   6.318999   5.840690   6.630572   4.263075
    25  H    6.728169   7.399640   6.554639   7.363353   4.783658
    26  C    3.909035   4.712712   2.920120   4.205964   4.002371
    27  O    4.023627   4.605823   2.941960   4.344915   4.789727
    28  N    4.758617   5.565850   3.835685   5.198765   4.296332
    29  H    3.521523   4.477384   2.730359   3.587564   3.351878
    30  C    5.255705   6.187667   4.544019   5.605035   4.053614
    31  H    6.274586   7.223590   5.534271   6.542297   5.046084
    32  H    5.483865   6.348001   4.860602   5.980871   4.070051
    33  H    4.749248   5.770173   4.189689   4.938430   3.317729
    34  C    5.742326   6.380346   4.753368   6.329399   5.498884
    35  H    6.650666   7.317352   5.631851   7.140568   6.390816
    36  H    5.490824   5.970150   4.454282   6.153744   5.706097
    37  H    6.133829   6.750431   5.240681   6.817321   5.607379
    38  C    5.533969   5.201185   5.204088   6.626667   6.307485
    39  O    5.110349   4.615251   5.023666   6.188641   6.022385
    40  N    5.251019   5.018155   4.681475   6.292848   6.203141
    41  H    6.477066   6.220249   6.125225   7.576061   6.964185
    42  C    4.292457   3.991963   3.669777   5.249867   5.718448
    43  H    3.506006   3.054695   3.116552   4.502102   5.093981
    44  H    4.977617   4.536519   4.376061   5.844604   6.663276
    45  H    4.063219   4.020560   3.216083   4.934916   5.344432
    46  C    6.237125   6.177563   5.495643   7.229727   6.922361
    47  H    7.016785   6.957506   6.346219   8.046976   7.469953
    48  H    5.911819   6.043372   5.069831   6.845985   6.364995
    49  H    6.808635   6.684261   6.011111   7.747256   7.734772
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795864   0.000000
    13  H    1.791349   1.798120   0.000000
    14  C    5.501959   5.281238   6.837749   0.000000
    15  O    6.179487   6.211852   7.674637   1.242895   0.000000
    16  N    5.435350   4.828619   6.542351   1.360864   2.316078
    17  H    5.198179   5.013477   6.475451   1.108185   2.057498
    18  C    6.204268   5.566872   7.281954   2.469414   2.864924
    19  H    5.854708   5.072087   6.769537   3.267840   3.773553
    20  H    7.209669   6.436498   8.194897   3.083222   3.425946
    21  H    6.412490   6.060275   7.674345   2.574431   2.477757
    22  C    5.082965   4.074491   5.843146   2.466027   3.636102
    23  H    6.082522   4.904717   6.673523   3.174206   4.277345
    24  H    4.505191   3.314292   5.112347   3.195724   4.279928
    25  H    4.753492   3.851868   5.506432   2.550022   3.791990
    26  C    2.961467   4.601088   4.601090   5.646709   5.746222
    27  O    3.858978   5.481952   5.391286   6.413507   6.341433
    28  N    3.260939   4.586617   5.021107   4.467549   4.532193
    29  H    2.304072   4.070690   3.748479   6.076556   6.372820
    30  C    3.083658   4.110339   4.670492   4.035015   4.402008
    31  H    4.073802   5.083167   5.552140   4.435467   4.687101
    32  H    3.288211   3.850191   4.817730   2.993892   3.523366
    33  H    2.357433   3.480385   3.757424   4.748173   5.292270
    34  C    4.545084   5.670427   6.334264   4.142840   3.808620
    35  H    5.377794   6.589140   7.142700   4.785693   4.321634
    36  H    4.816086   5.971653   6.587447   4.687504   4.250129
    37  H    4.762276   5.566147   6.516758   3.103085   2.711700
    38  C    6.260599   6.259833   7.343320   5.721016   5.600820
    39  O    6.175078   5.995663   6.983979   6.389632   6.469954
    40  N    5.937471   6.319532   7.233099   5.659346   5.374598
    41  H    6.904212   6.771555   8.031710   5.404354   5.194226
    42  C    5.411020   6.083499   6.645975   6.424127   6.236626
    43  H    4.967820   5.490309   5.973676   6.646005   6.656822
    44  H    6.347595   7.102324   7.531564   7.423344   7.136441
    45  H    4.846931   5.780353   6.253226   6.054561   5.843096
    46  C    6.475030   6.983189   7.976635   5.220922   4.639001
    47  H    7.086981   7.380008   8.555734   4.967264   4.309606
    48  H    5.790763   6.435624   7.406831   4.532187   3.941979
    49  H    7.229923   7.895917   8.752574   6.176645   5.482839
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056646   0.000000
    18  C    1.464917   3.417413   0.000000
    19  H    2.098945   4.090021   1.101643   0.000000
    20  H    2.121609   3.987848   1.102850   1.791116   0.000000
    21  H    2.102339   3.653176   1.097516   1.797695   1.797048
    22  C    1.463183   2.560215   2.490877   2.615412   2.928057
    23  H    2.115513   3.302108   2.800073   2.945022   2.817102
    24  H    2.106612   3.350516   2.729776   2.395158   3.325533
    25  H    2.104747   2.154416   3.417868   3.632982   3.886726
    26  C    6.139655   5.470877   6.802949   6.762518   7.878132
    27  O    6.877250   6.396990   7.333900   7.247405   8.422146
    28  N    5.144898   4.245950   5.935328   6.080741   6.962818
    29  H    6.461429   5.762293   7.230448   7.105660   8.295540
    30  C    4.741355   3.479522   5.826908   6.039056   6.770379
    31  H    5.346608   3.744758   6.510429   6.856883   7.380649
    32  H    3.674678   2.424319   4.835703   5.111787   5.736485
    33  H    5.237984   4.130242   6.342535   6.403283   7.293258
    34  C    5.005109   4.167959   5.612491   5.932639   6.588419
    35  H    5.812978   4.707193   6.478490   6.900350   7.391406
    36  H    5.382423   4.917074   5.726436   5.939357   6.730919
    37  H    4.053056   3.228235   4.691825   5.143148   5.613353
    38  C    5.203153   6.565792   4.310173   3.758544   5.078517
    39  O    5.686833   7.152641   4.830938   4.037632   5.566627
    40  N    5.452032   6.429662   4.809639   4.470677   5.697996
    41  H    4.856422   6.362412   3.750115   3.337494   4.362664
    42  C    6.290312   7.016604   5.887279   5.470118   6.864076
    43  H    6.337750   7.177872   5.962444   5.370553   6.942706
    44  H    7.327131   8.038914   6.848648   6.442857   7.782290
    45  H    6.122119   6.528641   5.956492   5.674107   6.993589
    46  C    5.310247   6.039853   4.729697   4.728372   5.564533
    47  H    4.982820   5.913925   4.194104   4.304528   4.878536
    48  H    4.832029   5.238147   4.550422   4.675239   5.471763
    49  H    6.365249   6.965704   5.790714   5.814282   6.582427
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390968   0.000000
    23  H    3.832147   1.102418   0.000000
    24  H    3.608643   1.102496   1.789692   0.000000
    25  H    4.178436   1.098920   1.797641   1.795212   0.000000
    26  C    6.538020   6.458456   7.560560   6.197002   6.154965
    27  O    6.929173   7.331756   8.428912   7.012652   7.155419
    28  N    5.665946   5.584989   6.673747   5.527782   5.231260
    29  H    7.118538   6.533681   7.618403   6.195699   6.131432
    30  C    5.786341   4.918595   5.963198   4.995307   4.321161
    31  H    6.433725   5.573390   6.553283   5.812051   4.866794
    32  H    4.883462   3.871424   4.904645   4.057078   3.299156
    33  H    6.432745   5.129865   6.158071   5.048993   4.467494
    34  C    5.105930   5.803325   6.841150   5.894894   5.600842
    35  H    5.931516   6.639477   7.645513   6.835861   6.344109
    36  H    5.095816   6.259340   7.292581   6.224157   6.219673
    37  H    4.196797   4.975081   5.961825   5.201984   4.828484
    38  C    3.816369   5.942586   6.581892   5.411621   6.692614
    39  O    4.586991   6.152579   6.742064   5.433345   6.922850
    40  N    4.142060   6.310145   7.098117   5.868705   6.893111
    41  H    3.165898   5.740989   6.260170   5.360456   6.579626
    42  C    5.328796   6.969268   7.858552   6.414861   7.405327
    43  H    5.589417   6.801291   7.668344   6.099992   7.248952
    44  H    6.218398   8.052095   8.924496   7.501367   8.499906
    45  H    5.385838   6.813929   7.786583   6.345431   7.100100
    46  C    3.826042   6.422223   7.212089   6.224686   6.939409
    47  H    3.201061   6.201570   6.866555   6.106633   6.824746
    48  H    3.687090   5.943711   6.821256   5.829912   6.313107
    49  H    4.842637   7.502848   8.299709   7.314979   7.984187
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242670   0.000000
    28  N    1.360975   2.314974   0.000000
    29  H    1.107869   2.057556   2.057100   0.000000
    30  C    2.466179   3.635038   1.463360   2.562328   0.000000
    31  H    3.132478   4.224255   2.117210   3.253746   1.103025
    32  H    3.234657   4.326617   2.107878   3.398333   1.101827
    33  H    2.555192   3.797527   2.103538   2.164305   1.098608
    34  C    2.462477   2.850977   1.465195   3.413486   2.497421
    35  H    3.021443   3.318709   2.123709   3.939576   2.955395
    36  H    2.586561   2.503072   2.100685   3.660074   3.388724
    37  H    3.293892   3.809834   2.098379   4.116538   2.613229
    38  C    6.223558   6.030291   6.117015   6.816030   6.892971
    39  O    6.596565   6.432275   6.648261   7.021142   7.345096
    40  N    5.311684   4.957348   5.273137   6.040645   6.261258
    41  H    6.851278   6.744121   6.542726   7.491532   7.215795
    42  C    4.626700   4.060794   4.956541   5.288353   6.094259
    43  H    4.758410   4.319997   5.206456   5.209296   6.204601
    44  H    5.330396   4.555966   5.773059   6.021559   7.008344
    45  H    3.619842   3.006553   3.986536   4.375294   5.225028
    46  C    5.345939   5.003682   5.052877   6.246218   6.075736
    47  H    6.174585   5.964035   5.703115   7.050632   6.557199
    48  H    4.453392   4.231044   4.029705   5.396712   5.056186
    49  H    5.760902   5.208365   5.588795   6.727169   6.750215
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787855   0.000000
    33  H    1.798813   1.793831   0.000000
    34  C    2.817840   2.732033   3.420518   0.000000
    35  H    2.862876   3.349836   3.910437   1.103443   0.000000
    36  H    3.847660   3.596938   4.169435   1.097468   1.796141
    37  H    2.946176   2.392211   3.629143   1.099512   1.790891
    38  C    7.818879   6.443559   7.265748   5.772324   6.752811
    39  O    8.350444   6.916146   7.545801   6.546967   7.581430
    40  N    7.125439   5.977416   6.711193   4.811237   5.724655
    41  H    8.075410   6.638150   7.691629   6.036341   6.971012
    42  C    6.990463   6.048458   6.391006   4.755795   5.646066
    43  H    7.190354   6.143458   6.326464   5.285655   6.251040
    44  H    7.852814   7.039161   7.313121   5.487726   6.264341
    45  H    6.066524   5.308938   5.560263   3.804609   4.655837
    46  C    6.772652   5.777795   6.738001   4.210609   4.965992
    47  H    7.216763   6.097084   7.274034   4.783839   5.510164
    48  H    5.702570   4.804928   5.782490   3.115750   3.885029
    49  H    7.373584   6.576734   7.432966   4.649302   5.241269
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795966   0.000000
    38  C    5.102871   5.513611   0.000000
    39  O    5.917845   6.344714   1.243023   0.000000
    40  N    3.996324   4.732165   1.361012   2.314986   0.000000
    41  H    5.449703   5.599459   1.108626   2.058284   2.058199
    42  C    3.855594   4.988730   2.469925   2.862829   1.465534
    43  H    4.514602   5.498427   2.574123   2.470828   2.104625
    44  H    4.488349   5.813894   3.090925   3.438583   2.121183
    45  H    2.887990   4.195673   3.262904   3.761393   2.099514
    46  C    3.388939   4.044160   2.466968   3.634698   1.463221
    47  H    4.122450   4.380873   2.554916   3.797115   2.106076
    48  H    2.351023   2.964135   3.151485   4.226763   2.108483
    49  H    3.699007   4.653714   3.216526   4.320692   2.111759
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419149   0.000000
    43  H    3.654549   1.097830   0.000000
    44  H    3.994827   1.102522   1.797088   0.000000
    45  H    4.087809   1.100635   1.795789   1.789905   0.000000
    46  C    2.564654   2.488298   3.384533   2.942906   2.598635
    47  H    2.162572   3.418351   4.184934   3.876638   3.638707
    48  H    3.294917   2.760716   3.608753   3.396380   2.428467
    49  H    3.364564   2.758632   3.801337   2.802648   2.852243
                   46         47         48         49
    46  C    0.000000
    47  H    1.098609   0.000000
    48  H    1.103430   1.795836   0.000000
    49  H    1.101874   1.796562   1.790939   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2143875      0.1946095      0.1846201
 Leave Link  202 at Mon Nov 14 04:20:34 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.0806656471 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1842893166 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.8963763306 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4036
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.19D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     221
 GePol: Fraction of low-weight points (<1% of avg)   =       5.48%
 GePol: Cavity surface area                          =    468.079 Ang**2
 GePol: Cavity volume                                =    458.393 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040190392 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.8923572914 Hartrees.
 Leave Link  301 at Mon Nov 14 04:20:34 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37497.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:20:36 2016, MaxMem=  2952790016 cpu:        14.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:20:36 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000181   -0.000255   -0.000032
         Rot=    1.000000    0.000009   -0.000017    0.000020 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:20:36 2016, MaxMem=  2952790016 cpu:         6.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48867888.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.09D-14 for   3826.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.37D-15 for   2075    473.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.77D-15 for   3826.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.78D-09 for   2459   2456.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.13D-14 for    273.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.19D-14 for   2456    180.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for     16.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.06D-15 for   2328    127.
 E= -1013.45141455935    
 DIIS: error= 3.63D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141455935     IErMin= 1 ErrMin= 3.63D-05
 ErrMax= 3.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-06 BMatP= 1.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=5.44D-06 MaxDP=1.59D-04              OVMax= 2.30D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.44D-06    CP:  1.00D+00
 E= -1013.45141628200     Delta-E=       -0.000001722657 Rises=F Damp=F
 DIIS: error= 6.25D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141628200     IErMin= 2 ErrMin= 6.25D-06
 ErrMax= 6.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-08 BMatP= 1.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.348D-01 0.965D+00
 Coeff:      0.348D-01 0.965D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.53D-06 MaxDP=1.02D-04 DE=-1.72D-06 OVMax= 1.47D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.49D-06    CP:  1.00D+00  9.43D-01
 E= -1013.45141614877     Delta-E=        0.000000133232 Rises=F Damp=F
 DIIS: error= 1.69D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141628200     IErMin= 2 ErrMin= 6.25D-06
 ErrMax= 1.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-07 BMatP= 3.06D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.309D-02 0.721D+00 0.276D+00
 Coeff:      0.309D-02 0.721D+00 0.276D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.15D-06 MaxDP=7.98D-05 DE= 1.33D-07 OVMax= 1.20D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.66D-07    CP:  1.00D+00  9.70D-01  2.75D-01
 E= -1013.45141630633     Delta-E=       -0.000000157560 Rises=F Damp=F
 DIIS: error= 1.97D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141630633     IErMin= 4 ErrMin= 1.97D-06
 ErrMax= 1.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-09 BMatP= 3.06D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.255D-04 0.277D+00 0.145D+00 0.579D+00
 Coeff:      0.255D-04 0.277D+00 0.145D+00 0.579D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.76D-07 MaxDP=1.10D-05 DE=-1.58D-07 OVMax= 1.46D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.07D-07    CP:  1.00D+00  9.73D-01  3.05D-01  6.43D-01
 E= -1013.45141630807     Delta-E=       -0.000000001734 Rises=F Damp=F
 DIIS: error= 1.03D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141630807     IErMin= 5 ErrMin= 1.03D-06
 ErrMax= 1.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.21D-10 BMatP= 2.38D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-04 0.137D+00 0.783D-01 0.393D+00 0.392D+00
 Coeff:     -0.129D-04 0.137D+00 0.783D-01 0.393D+00 0.392D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.43D-08 MaxDP=4.02D-06 DE=-1.73D-09 OVMax= 3.59D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.29D-08    CP:  1.00D+00  9.74D-01  3.02D-01  6.65D-01  6.07D-01
 E= -1013.45141630841     Delta-E=       -0.000000000342 Rises=F Damp=F
 DIIS: error= 6.82D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141630841     IErMin= 6 ErrMin= 6.82D-08
 ErrMax= 6.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-12 BMatP= 5.21D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-04 0.413D-01 0.243D-01 0.128D+00 0.153D+00 0.654D+00
 Coeff:     -0.157D-04 0.413D-01 0.243D-01 0.128D+00 0.153D+00 0.654D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.39D-09 MaxDP=3.92D-07 DE=-3.42D-10 OVMax= 5.43D-07

 Error on total polarization charges =  0.04318
 SCF Done:  E(RB97D) =  -1013.45141631     A.U. after    6 cycles
            NFock=  6  Conv=0.84D-08     -V/T= 2.0213
 KE= 9.923509346226D+02 PE=-6.029332005230D+03 EE= 2.174637297008D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:22:00 2016, MaxMem=  2952790016 cpu:       948.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37497.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 04:22:09 2016, MaxMem=  2952790016 cpu:        99.2
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:22:09 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:22:46 2016, MaxMem=  2952790016 cpu:       440.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24668058D+00-2.53689408D+00 3.31967400D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000030955   -0.000069102   -0.000021024
      2        6           0.000009909    0.000030618    0.000015337
      3        8           0.000023803    0.000030898   -0.000000256
      4        7          -0.000007070    0.000018156    0.000020547
      5        1           0.000016670    0.000025133    0.000005138
      6        6           0.000024785    0.000050592    0.000052837
      7        1          -0.000000846    0.000011558    0.000035772
      8        1          -0.000010803    0.000012209    0.000035240
      9        1           0.000004365    0.000019885    0.000028793
     10        6           0.000027542    0.000016529    0.000020480
     11        1           0.000007453    0.000025354    0.000021066
     12        1           0.000020198    0.000028150    0.000001053
     13        1           0.000019853    0.000036899    0.000021496
     14        6           0.000008257   -0.000003913   -0.000019354
     15        8          -0.000005784   -0.000012248   -0.000032396
     16        7           0.000003040   -0.000004440   -0.000033733
     17        1           0.000003217   -0.000005550   -0.000027739
     18        6          -0.000013749    0.000006529   -0.000024806
     19        1           0.000000795    0.000017764   -0.000029033
     20        1           0.000006927   -0.000007418   -0.000050868
     21        1           0.000002002   -0.000013281   -0.000035939
     22        6           0.000024599    0.000018167   -0.000058636
     23        1           0.000021075    0.000007043   -0.000033219
     24        1           0.000026680    0.000013550   -0.000030393
     25        1           0.000018223    0.000012845   -0.000028983
     26        6          -0.000022353    0.000016655    0.000045960
     27        8           0.000015440   -0.000007482    0.000035210
     28        7          -0.000003074    0.000009077    0.000013249
     29        1          -0.000024773    0.000003812    0.000016049
     30        6          -0.000004081    0.000010463   -0.000006670
     31        1          -0.000012555   -0.000005268    0.000016006
     32        1          -0.000007784   -0.000004356   -0.000001406
     33        1           0.000023110    0.000008340    0.000017077
     34        6          -0.000006394   -0.000010472    0.000006291
     35        1          -0.000018609   -0.000019801    0.000010037
     36        1          -0.000016114   -0.000019725    0.000014450
     37        1          -0.000014887   -0.000012822   -0.000003430
     38        6          -0.000043465   -0.000017705   -0.000054013
     39        8           0.000001437   -0.000020703    0.000014299
     40        7           0.000014484   -0.000015773    0.000016563
     41        1          -0.000012397   -0.000015510   -0.000013777
     42        6           0.000025552    0.000008605   -0.000012300
     43        1          -0.000009105    0.000001262    0.000021109
     44        1          -0.000052620   -0.000026689    0.000032893
     45        1          -0.000005763   -0.000014171    0.000012839
     46        6          -0.000030683   -0.000024160    0.000012254
     47        1          -0.000017787   -0.000034731   -0.000021726
     48        1          -0.000011684   -0.000038748   -0.000005501
     49        1          -0.000027989   -0.000036026    0.000003157
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000069102 RMS     0.000022758
 Leave Link  716 at Mon Nov 14 04:22:46 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000026056 RMS     0.000003134
 Search for a local minimum.
 Step number  95 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .31344D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   62   68   74   75   76
                                                     78   79   80   81   82
                                                     83   84   85   86   87
                                                     88   89   90   91   92
                                                     93   94   95
 DE= -1.69D-07 DEPred=-1.14D-07 R= 1.49D+00
 Trust test= 1.49D+00 RLast= 1.27D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1
 ITU= -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0
 ITU=  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00007   0.00049   0.00084   0.00088   0.00123
     Eigenvalues ---    0.00141   0.00165   0.00203   0.00222   0.00242
     Eigenvalues ---    0.00294   0.00358   0.00428   0.00495   0.00570
     Eigenvalues ---    0.00651   0.00702   0.00795   0.00807   0.00838
     Eigenvalues ---    0.00911   0.01034   0.01079   0.01183   0.01224
     Eigenvalues ---    0.01232   0.01316   0.01322   0.01481   0.01525
     Eigenvalues ---    0.01602   0.01674   0.01738   0.01759   0.01816
     Eigenvalues ---    0.01823   0.01922   0.01928   0.02046   0.02092
     Eigenvalues ---    0.02192   0.02323   0.02363   0.02470   0.02595
     Eigenvalues ---    0.02911   0.03015   0.03099   0.03600   0.03756
     Eigenvalues ---    0.04398   0.04728   0.04951   0.05368   0.05591
     Eigenvalues ---    0.05896   0.06026   0.06298   0.06308   0.06420
     Eigenvalues ---    0.06876   0.06995   0.07436   0.07452   0.07561
     Eigenvalues ---    0.07711   0.08007   0.08055   0.08175   0.08352
     Eigenvalues ---    0.08451   0.08724   0.08954   0.09073   0.09298
     Eigenvalues ---    0.09417   0.09722   0.09842   0.09856   0.10055
     Eigenvalues ---    0.10197   0.10298   0.10460   0.10830   0.11025
     Eigenvalues ---    0.11195   0.11246   0.11435   0.11544   0.13304
     Eigenvalues ---    0.13472   0.14240   0.14742   0.15138   0.15240
     Eigenvalues ---    0.15597   0.15753   0.21544   0.22593   0.22860
     Eigenvalues ---    0.23448   0.24681   0.24691   0.25857   0.26352
     Eigenvalues ---    0.26914   0.27292   0.28292   0.29242   0.29634
     Eigenvalues ---    0.29819   0.30683   0.32805   0.32825   0.32831
     Eigenvalues ---    0.32938   0.33300   0.33357   0.33361   0.33381
     Eigenvalues ---    0.33397   0.33422   0.33505   0.33540   0.33697
     Eigenvalues ---    0.33797   0.33820   0.33837   0.33921   0.33955
     Eigenvalues ---    0.34044   0.34210   0.34266   0.37287   0.39015
     Eigenvalues ---    0.40054   0.40837   0.85955   0.86120   0.86484
     Eigenvalues ---    0.89672
 Eigenvalue     1 is   6.51D-05 Eigenvector:
                         D399      D381      D397      D383      D385
   1                   -0.23465  -0.22932  -0.22241  -0.21890  -0.21781
                         D387      D395      D407      D405      D403
   1                   -0.21627  -0.21558  -0.21549  -0.21441  -0.21346
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    95   94   93   92   91
 RFO step:  Lambda=-2.51441286D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.84D-07 SmlDif=  1.00D-05
 RMS Error=  0.1493698756D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.52401    0.14300   -1.28078    0.46593    0.14784
 Iteration  1 RMS(Cart)=  0.00037702 RMS(Int)=  0.00000041
 Iteration  2 RMS(Cart)=  0.00000024 RMS(Int)=  0.00000013
 ITry= 1 IFail=0 DXMaxC= 2.27D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59531   0.00000  -0.00002   0.00004   0.00002   6.59533
    R2        6.26389   0.00000   0.00050  -0.00018   0.00032   6.26421
    R3        7.25304   0.00000   0.00021  -0.00002   0.00019   7.25323
    R4        6.34709  -0.00001  -0.00018   0.00012  -0.00006   6.34703
    R5        6.52992   0.00000   0.00021  -0.00018   0.00004   6.52996
    R6        5.97695  -0.00001  -0.00082  -0.00018  -0.00100   5.97596
    R7        6.70288   0.00000  -0.00043  -0.00011  -0.00055   6.70233
    R8        6.23109   0.00000  -0.00020  -0.00008  -0.00028   6.23081
    R9        6.66452  -0.00001  -0.00048  -0.00009  -0.00057   6.66394
   R10        6.06988   0.00000  -0.00097  -0.00033  -0.00130   6.06858
   R11        6.95433   0.00000  -0.00021  -0.00008  -0.00029   6.95404
   R12        6.02775   0.00000  -0.00010  -0.00001  -0.00011   6.02764
   R13        6.88826   0.00000  -0.00009  -0.00026  -0.00035   6.88791
   R14        6.19584   0.00000   0.00032  -0.00015   0.00016   6.19600
   R15        6.86486  -0.00001   0.00002  -0.00026  -0.00024   6.86463
   R16        5.95406  -0.00001  -0.00027  -0.00023  -0.00050   5.95356
   R17        6.68508   0.00001   0.00003   0.00008   0.00011   6.68519
   R18        6.57888   0.00000  -0.00023  -0.00031  -0.00054   6.57834
   R19        6.22289   0.00000  -0.00006  -0.00003  -0.00010   6.22279
   R20        6.57688   0.00000   0.00000   0.00001   0.00001   6.57689
   R21        6.04843   0.00000   0.00013   0.00026   0.00039   6.04882
   R22        7.01071   0.00000   0.00005  -0.00015  -0.00010   7.01061
   R23        6.02069   0.00000   0.00018  -0.00003   0.00015   6.02083
   R24        2.34968   0.00000  -0.00001   0.00000  -0.00001   2.34967
   R25        2.57151   0.00000   0.00002  -0.00002   0.00000   2.57151
   R26        2.09473   0.00000   0.00000   0.00000   0.00000   2.09473
   R27        2.76505   0.00001  -0.00001   0.00000   0.00000   2.76505
   R28        2.76823   0.00001  -0.00003   0.00000  -0.00003   2.76821
   R29        2.07654   0.00000   0.00000   0.00000   0.00001   2.07655
   R30        2.08256   0.00000  -0.00003   0.00002  -0.00001   2.08255
   R31        2.08299   0.00000  -0.00001   0.00000  -0.00001   2.08298
   R32        2.08103   0.00000   0.00003  -0.00001   0.00002   2.08105
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07465
   R34        2.08351   0.00000   0.00000   0.00000  -0.00001   2.08350
   R35        2.34873   0.00000   0.00000   0.00000   0.00000   2.34873
   R36        2.57166   0.00000   0.00003   0.00000   0.00003   2.57169
   R37        2.09417   0.00000   0.00000   0.00000   0.00000   2.09416
   R38        2.76829   0.00001   0.00004   0.00001   0.00005   2.76834
   R39        2.76502   0.00001   0.00003   0.00001   0.00004   2.76506
   R40        2.08180   0.00001   0.00002   0.00001   0.00003   2.08184
   R41        2.08408   0.00000   0.00000   0.00000  -0.00001   2.08408
   R42        2.07401   0.00000  -0.00001   0.00000  -0.00001   2.07399
   R43        2.08327   0.00000   0.00000   0.00000   0.00000   2.08327
   R44        2.08342   0.00000   0.00001   0.00001   0.00002   2.08344
   R45        2.07666   0.00000   0.00000   0.00000   0.00000   2.07666
   R46        2.34831   0.00000   0.00000   0.00000   0.00000   2.34831
   R47        2.57187   0.00000   0.00002  -0.00001   0.00000   2.57187
   R48        2.09357   0.00000   0.00000   0.00000   0.00001   2.09357
   R49        2.76535   0.00001   0.00001   0.00001   0.00002   2.76537
   R50        2.76882   0.00000   0.00000   0.00000   0.00000   2.76882
   R51        2.08441   0.00000  -0.00001   0.00000  -0.00001   2.08441
   R52        2.08215   0.00000  -0.00001   0.00000  -0.00001   2.08214
   R53        2.07607   0.00000   0.00002   0.00000   0.00002   2.07608
   R54        2.08521   0.00000  -0.00002   0.00000  -0.00001   2.08519
   R55        2.07391   0.00000   0.00001   0.00000   0.00001   2.07393
   R56        2.07778   0.00000   0.00001  -0.00001   0.00000   2.07778
   R57        2.34897  -0.00002  -0.00001   0.00000  -0.00001   2.34896
   R58        2.57194   0.00003   0.00003   0.00002   0.00005   2.57200
   R59        2.09500   0.00000   0.00000   0.00000   0.00000   2.09500
   R60        2.76946   0.00000   0.00002  -0.00004  -0.00001   2.76945
   R61        2.76509   0.00000  -0.00004   0.00001  -0.00003   2.76506
   R62        2.07460   0.00000   0.00000   0.00000   0.00000   2.07460
   R63        2.08347   0.00000  -0.00001   0.00001   0.00000   2.08347
   R64        2.07990   0.00000   0.00001  -0.00001   0.00000   2.07990
   R65        2.07607   0.00000   0.00000   0.00000   0.00000   2.07607
   R66        2.08518   0.00001  -0.00001   0.00001   0.00001   2.08519
   R67        2.08224   0.00000   0.00001  -0.00001   0.00000   2.08224
    A1        0.68026   0.00000  -0.00003   0.00000  -0.00003   0.68023
    A2        0.95702   0.00000  -0.00007   0.00002  -0.00005   0.95697
    A3        0.72705   0.00000  -0.00001   0.00001   0.00000   0.72705
    A4        1.01891   0.00000   0.00000   0.00001   0.00002   1.01893
    A5        2.34715   0.00000   0.00010   0.00008   0.00019   2.34734
    A6        2.02718   0.00000  -0.00005   0.00001  -0.00004   2.02714
    A7        1.98028   0.00000  -0.00027  -0.00011  -0.00038   1.97990
    A8        1.68736   0.00000  -0.00032  -0.00012  -0.00044   1.68692
    A9        1.65759   0.00000   0.00002   0.00005   0.00007   1.65765
   A10        1.37602   0.00000  -0.00002   0.00003   0.00000   1.37602
   A11        1.73312   0.00000   0.00005   0.00005   0.00011   1.73323
   A12        2.03756   0.00000   0.00014   0.00009   0.00022   2.03778
   A13        1.94292   0.00000   0.00026   0.00011   0.00036   1.94328
   A14        2.03172   0.00000   0.00028   0.00014   0.00042   2.03214
   A15        2.43186   0.00000   0.00006   0.00007   0.00013   2.43199
   A16        1.58839   0.00000  -0.00011  -0.00019  -0.00030   1.58809
   A17        1.78898   0.00000  -0.00010  -0.00017  -0.00028   1.78871
   A18        1.56812   0.00000  -0.00011  -0.00014  -0.00024   1.56788
   A19        1.70837   0.00000  -0.00011  -0.00007  -0.00018   1.70819
   A20        2.19234   0.00000  -0.00011  -0.00016  -0.00027   2.19207
   A21        2.41262   0.00000  -0.00011  -0.00018  -0.00028   2.41234
   A22        0.64304   0.00000  -0.00002  -0.00001  -0.00002   0.64302
   A23        0.65904   0.00000   0.00002   0.00002   0.00004   0.65907
   A24        2.40054   0.00000   0.00025   0.00023   0.00048   2.40102
   A25        2.22659   0.00000   0.00004   0.00011   0.00016   2.22675
   A26        2.32329   0.00000  -0.00021  -0.00005  -0.00026   2.32303
   A27        2.05883   0.00000  -0.00029  -0.00009  -0.00038   2.05845
   A28        1.81893   0.00000   0.00004   0.00011   0.00015   1.81908
   A29        1.57823   0.00000  -0.00003   0.00006   0.00003   1.57826
   A30        1.33974   0.00000   0.00004   0.00005   0.00009   1.33983
   A31        1.63897   0.00000   0.00014   0.00009   0.00023   1.63921
   A32        1.58977   0.00000   0.00029   0.00014   0.00042   1.59019
   A33        1.74319   0.00000   0.00032   0.00019   0.00050   1.74370
   A34        2.03536   0.00000   0.00007   0.00007   0.00014   2.03549
   A35        1.85268   0.00000  -0.00009  -0.00018  -0.00026   1.85241
   A36        1.92144   0.00000  -0.00008  -0.00015  -0.00023   1.92121
   A37        1.57384   0.00000  -0.00008  -0.00012  -0.00020   1.57364
   A38        1.59265   0.00000  -0.00008  -0.00005  -0.00013   1.59252
   A39        2.27695   0.00000  -0.00007  -0.00012  -0.00019   2.27675
   A40        2.37271   0.00000  -0.00006  -0.00013  -0.00019   2.37252
   A41        0.68890   0.00000  -0.00001   0.00000  -0.00001   0.68890
   A42        0.74615   0.00000   0.00008   0.00001   0.00009   0.74624
   A43        2.66565   0.00000   0.00035   0.00029   0.00064   2.66629
   A44        2.60588   0.00000   0.00007   0.00013   0.00020   2.60608
   A45        2.65854   0.00000  -0.00032  -0.00013  -0.00044   2.65810
   A46        2.35374   0.00000  -0.00037  -0.00016  -0.00053   2.35321
   A47        2.19791   0.00000   0.00004   0.00012   0.00016   2.19807
   A48        1.96368   0.00000  -0.00004   0.00006   0.00002   1.96370
   A49        1.09817   0.00000   0.00014   0.00008   0.00022   1.09839
   A50        1.45784   0.00000   0.00021   0.00011   0.00032   1.45816
   A51        1.55984   0.00000   0.00035   0.00016   0.00051   1.56035
   A52        1.79656   0.00000   0.00037   0.00020   0.00057   1.79714
   A53        1.78334   0.00000   0.00008   0.00007   0.00015   1.78349
   A54        1.71247   0.00000  -0.00009  -0.00012  -0.00021   1.71225
   A55        1.64992   0.00000  -0.00008  -0.00011  -0.00019   1.64973
   A56        1.25021   0.00000  -0.00008  -0.00009  -0.00017   1.25003
   A57        1.21901   0.00000  -0.00008  -0.00004  -0.00012   1.21889
   A58        1.94490   0.00000  -0.00007  -0.00008  -0.00015   1.94475
   A59        1.99506   0.00000  -0.00005  -0.00012  -0.00017   1.99489
   A60        0.83992   0.00000   0.00004  -0.00004   0.00000   0.83992
   A61        0.77590   0.00000   0.00018  -0.00006   0.00012   0.77602
   A62        2.60475   0.00000   0.00045   0.00021   0.00066   2.60541
   A63        2.77269   0.00000   0.00027   0.00017   0.00044   2.77313
   A64        2.61141   0.00000  -0.00046  -0.00015  -0.00061   2.61080
   A65        2.39690   0.00000   0.00012   0.00011   0.00023   2.39713
   A66        2.20279   0.00000  -0.00001   0.00005   0.00004   2.20283
   A67        0.85648   0.00000   0.00025   0.00005   0.00030   0.85678
   A68        1.23207   0.00000   0.00030   0.00007   0.00037   1.23244
   A69        1.41321   0.00000   0.00045   0.00011   0.00056   1.41377
   A70        1.68525   0.00000   0.00046   0.00014   0.00060   1.68584
   A71        1.52023   0.00000   0.00014   0.00004   0.00017   1.52040
   A72        1.72887   0.00000  -0.00016  -0.00001  -0.00017   1.72870
   A73        1.56136   0.00000  -0.00014  -0.00002  -0.00016   1.56120
   A74        1.13228   0.00000  -0.00014  -0.00001  -0.00015   1.13213
   A75        1.02383   0.00000  -0.00012   0.00002  -0.00010   1.02374
   A76        1.77926   0.00000  -0.00010   0.00000  -0.00010   1.77916
   A77        1.77173   0.00000  -0.00006  -0.00006  -0.00012   1.77160
   A78        2.00319   0.00000   0.00032   0.00026   0.00057   2.00376
   A79        1.94603   0.00000   0.00016   0.00019   0.00034   1.94637
   A80        2.22237   0.00000  -0.00001   0.00010   0.00010   2.22247
   A81        2.07991   0.00000  -0.00015   0.00004  -0.00010   2.07981
   A82        1.55704   0.00000   0.00009   0.00015   0.00024   1.55727
   A83        1.39105   0.00000   0.00000   0.00009   0.00009   1.39114
   A84        1.19659   0.00000  -0.00006  -0.00001  -0.00007   1.19652
   A85        1.38293   0.00000   0.00009   0.00005   0.00014   1.38307
   A86        1.21670   0.00000   0.00026   0.00009   0.00035   1.21705
   A87        1.32482   0.00000   0.00032   0.00016   0.00048   1.32530
   A88        1.80959   0.00000   0.00009   0.00004   0.00013   1.80972
   A89        2.28304   0.00000  -0.00011  -0.00017  -0.00028   2.28275
   A90        2.33178   0.00000  -0.00009  -0.00012  -0.00022   2.33156
   A91        1.93856   0.00000  -0.00009  -0.00009  -0.00018   1.93838
   A92        1.86329   0.00000  -0.00008  -0.00001  -0.00010   1.86320
   A93        2.61887   0.00000  -0.00006  -0.00005  -0.00011   2.61876
   A94        2.56197   0.00000  -0.00001  -0.00003  -0.00004   2.56192
   A95        1.92045   0.00000   0.00027   0.00029   0.00056   1.92101
   A96        1.99930   0.00000   0.00012   0.00024   0.00036   1.99966
   A97        2.37389   0.00000   0.00003   0.00019   0.00023   2.37412
   A98        2.32800   0.00000  -0.00014   0.00011  -0.00003   2.32797
   A99        1.66932   0.00000   0.00001   0.00018   0.00018   1.66950
   A100       1.57667   0.00000  -0.00009   0.00011   0.00002   1.57669
   A101       0.88959   0.00000  -0.00004  -0.00003  -0.00007   0.88953
   A102       1.06107   0.00000   0.00011   0.00004   0.00016   1.06123
   A103       0.93252   0.00000   0.00027   0.00011   0.00038   0.93290
   A104       1.09560   0.00000   0.00030   0.00018   0.00048   1.09608
   A105       1.48756   0.00000   0.00011   0.00004   0.00014   1.48770
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   D443      -1.35278   0.00000   0.00040   0.00009   0.00049  -1.35229
   D444      -0.00084   0.00000   0.00011   0.00002   0.00013  -0.00071
   D445       3.11469   0.00000  -0.00019  -0.00002  -0.00021   3.11449
   D446      -3.12065   0.00000   0.00011   0.00002   0.00013  -3.12052
   D447      -0.00511   0.00000  -0.00019  -0.00002  -0.00021  -0.00532
   D448       2.41948   0.00000  -0.00047  -0.00020  -0.00067   2.41881
   D449      -1.77992   0.00000  -0.00051  -0.00019  -0.00071  -1.78063
   D450       0.32754   0.00000  -0.00053  -0.00019  -0.00072   0.32681
   D451      -0.69730   0.00000  -0.00019  -0.00016  -0.00036  -0.69766
   D452       1.38648   0.00000  -0.00023  -0.00015  -0.00039   1.38609
   D453      -2.78925   0.00000  -0.00025  -0.00016  -0.00040  -2.78965
   D454       2.05431   0.00000   0.00006  -0.00004   0.00002   2.05433
   D455      -2.14476   0.00000   0.00003  -0.00002   0.00002  -2.14474
   D456      -0.05154   0.00000   0.00006  -0.00002   0.00004  -0.05151
   D457      -1.11205   0.00000  -0.00021  -0.00008  -0.00029  -1.11235
   D458       0.97207   0.00000  -0.00025  -0.00005  -0.00030   0.97177
   D459       3.06528   0.00000  -0.00022  -0.00006  -0.00028   3.06500
   D460      -3.08425   0.00002  -0.00007   0.00008   0.00001  -3.08424
   D461      -0.02757   0.00002   0.00038   0.00010   0.00047  -0.02709
   D462       0.07001   0.00002   0.00014  -0.00001   0.00013   0.07014
   D463       3.12669   0.00002   0.00059   0.00000   0.00060   3.12729
   D464       1.92932   0.00001   0.00045   0.00002   0.00046   1.92978
   D465      -2.27082   0.00000   0.00041  -0.00001   0.00040  -2.27042
   D466      -0.17831   0.00001   0.00047   0.00002   0.00049  -0.17782
   D467      -1.13072   0.00001   0.00001   0.00001   0.00002  -1.13070
   D468       0.95233   0.00000  -0.00002  -0.00002  -0.00004   0.95228
   D469       3.04484   0.00001   0.00004   0.00000   0.00004   3.04488
   D470      -1.63368   0.00000   0.00024   0.00004   0.00027  -1.63340
   D471       0.47072   0.00000   0.00031   0.00004   0.00035   0.47107
   D472       2.56188   0.00000   0.00016   0.00002   0.00018   2.56206
   D473       1.42675   0.00000   0.00067   0.00005   0.00072   1.42747
   D474      -2.75204   0.00000   0.00075   0.00006   0.00080  -2.75124
   D475      -0.66088   0.00000   0.00059   0.00004   0.00063  -0.66025
   D476       0.00354   0.00000   0.00000   0.00000   0.00000   0.00354
   D477      -3.04569   0.00000   0.00000   0.00019   0.00019  -3.04550
   D478       3.11680   0.00000  -0.00006  -0.00003  -0.00010   3.11670
   D479       0.06757   0.00000  -0.00006   0.00016   0.00009   0.06766
   D480      -0.30679   0.00000  -0.00002   0.00001  -0.00001  -0.30680
   D481       1.80149  -0.00001  -0.00004  -0.00006  -0.00010   1.80139
   D482      -2.39808   0.00000   0.00003  -0.00001   0.00002  -2.39806
   D483       2.74712   0.00000  -0.00002  -0.00017  -0.00019   2.74693
   D484      -1.42778  -0.00001  -0.00004  -0.00024  -0.00028  -1.42807
   D485       0.65583   0.00000   0.00003  -0.00019  -0.00016   0.65567
   D486      -0.09181   0.00000  -0.00003   0.00013   0.00009  -0.09172
   D487       2.00391   0.00000   0.00001   0.00005   0.00006   2.00397
   D488      -2.19530   0.00000   0.00001   0.00008   0.00009  -2.19521
   D489       3.13739   0.00001  -0.00003   0.00030   0.00028   3.13767
   D490      -1.05007   0.00000   0.00001   0.00023   0.00024  -1.04983
   D491       1.03391   0.00000   0.00001   0.00026   0.00027   1.03418
         Item               Value     Threshold  Converged?
 Maximum Force            0.000026     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.002273     0.001800     NO 
 RMS     Displacement     0.000377     0.001200     YES
 Predicted change in Energy=-8.949275D-08
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:22:47 2016, MaxMem=  2952790016 cpu:        10.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.821965   -0.586417    1.668050
      2          6           0       -2.070062    1.117896   -1.367498
      3          8           0       -2.619514    0.137530   -1.899482
      4          7           0       -0.777531    1.166066   -0.944680
      5          1           0       -2.619033    2.058590   -1.161421
      6          6           0       -0.238923    2.336435   -0.251070
      7          1           0       -0.995666    3.132853   -0.227474
      8          1           0        0.039525    2.064430    0.779934
      9          1           0        0.658792    2.701498   -0.776259
     10          6           0        0.133316    0.031264   -1.113295
     11          1           0        0.700242   -0.117370   -0.180966
     12          1           0       -0.448166   -0.872772   -1.336665
     13          1           0        0.844296    0.225866   -1.933196
     14          6           0       -2.010599   -3.995809    2.627065
     15          8           0       -2.135409   -3.841349    3.853994
     16          7           0       -2.948106   -3.685263    1.690777
     17          1           0       -1.080107   -4.395251    2.176845
     18          6           0       -4.247117   -3.116580    2.058517
     19          1           0       -4.504629   -2.321135    1.341153
     20          1           0       -5.033092   -3.889530    2.025935
     21          1           0       -4.188121   -2.696177    3.070599
     22          6           0       -2.696630   -3.872532    0.261560
     23          1           0       -3.405024   -4.605329   -0.158570
     24          1           0       -2.830557   -2.913735   -0.265977
     25          1           0       -1.668038   -4.228789    0.110874
     26          6           0        1.566478    0.373302    2.607664
     27          8           0        1.402306    1.392458    3.299474
     28          7           0        1.180148   -0.885466    2.951914
     29          1           0        2.048096    0.410394    1.610645
     30          6           0        1.479047   -2.039091    2.102640
     31          1           0        2.227665   -2.688683    2.586642
     32          1           0        0.562182   -2.627933    1.939438
     33          1           0        1.863686   -1.692668    1.133619
     34          6           0        0.538275   -1.156058    4.240937
     35          1           0        1.285812   -1.458066    4.994296
     36          1           0        0.019674   -0.251834    4.584279
     37          1           0       -0.186795   -1.972911    4.114643
     38          6           0       -4.608539    1.092039    2.907364
     39          8           0       -4.855414    1.668741    1.834256
     40          7           0       -3.538833    1.343506    3.710436
     41          1           0       -5.249497    0.276012    3.297649
     42          6           0       -2.541683    2.362384    3.370799
     43          1           0       -2.621534    2.613469    2.305056
     44          1           0       -2.694643    3.271350    3.975730
     45          1           0       -1.537329    1.964218    3.580897
     46          6           0       -3.262112    0.534660    4.897940
     47          1           0       -4.075533   -0.187147    5.053773
     48          1           0       -2.312233   -0.010407    4.763046
     49          1           0       -3.172337    1.183470    5.784009
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490099   0.000000
     3  O    3.726590   1.243392   0.000000
     4  N    3.314876   1.360783   2.315693   0.000000
     5  H    3.954401   1.108486   2.057962   2.057839   0.000000
     6  C    3.838243   2.466641   3.635885   1.463201   2.563369
     7  H    4.255439   2.552260   3.795320   2.104808   2.159078
     8  H    3.358703   3.155589   4.238243   2.109249   3.291933
     9  H    4.789488   3.209985   4.310784   2.109252   3.362412
    10  C    3.455508   2.469871   2.864865   1.464872   3.418741
    11  H    3.162340   3.257043   3.746873   2.101020   4.088237
    12  H    3.316268   2.567928   2.460127   2.102141   3.651884
    13  H    4.553870   3.099874   3.465100   2.119308   3.993640
    14  C    3.546723   6.489226   6.159943   6.397091   7.167884
    15  O    3.933342   7.201553   7.012013   7.067200   7.758709
    16  N    3.297204   5.761453   5.254681   5.932320   6.421461
    17  H    3.913622   6.628512   6.287473   6.384648   7.427273
    18  C    3.526408   5.865827   5.376251   6.276805   6.308806
    19  H    3.211354   5.009076   4.483347   5.592572   5.385196
    20  H    4.620603   6.735670   6.119760   7.245234   7.167081
    21  H    3.466544   6.223346   5.932295   6.532344   6.555901
    22  C    3.679919   5.286851   4.555946   5.524982   6.099926
    23  H    4.689804   5.999911   5.112975   6.389890   6.784637
    24  H    3.189691   4.248030   3.467434   4.617395   5.056736
    25  H    3.964260   5.561856   4.900160   5.568811   6.484925
    26  C    3.644925   5.438819   6.155687   4.329204   5.879175
    27  O    4.119880   5.823517   6.691713   4.776588   6.042721
    28  N    3.278783   5.764949   6.246598   4.819205   6.326196
    29  H    3.996786   5.131190   5.846540   3.883928   5.673005
    30  C    3.632603   5.882568   6.128039   4.965012   6.651266
    31  H    4.654334   6.971063   7.183866   6.029969   7.750810
    32  H    3.150491   5.647634   5.701603   4.950495   6.457472
    33  H    3.885026   5.443274   5.713879   4.412224   6.279643
    34  C    3.537650   6.590055   7.024937   5.832172   7.034772
    35  H    4.634863   7.640018   8.082182   6.812847   8.093672
    36  H    3.465252   6.454983   7.011139   5.763278   6.731560
    37  H    3.252992   6.569144   6.822153   5.983218   7.071466
    38  C    3.481108   4.971818   5.288958   5.433263   4.631130
    39  O    3.783541   4.279351   4.613529   4.960272   3.758652
    40  N    3.292960   5.290898   5.811257   5.415384   5.009229
    41  H    3.891960   5.707992   5.826333   6.228004   5.475420
    42  C    3.480342   4.921649   5.721180   4.813187   4.543049
    43  H    3.359220   4.003562   4.879387   4.007007   3.510607
    44  H    4.579228   5.794614   6.659174   5.684890   5.278904
    45  H    3.200897   5.048433   5.877284   4.657810   4.865036
    46  C    3.709856   6.404441   6.839268   6.380284   6.281065
    47  H    4.086699   6.852574   7.111481   6.977782   6.767080
    48  H    3.186087   6.238212   6.671251   6.026404   6.282849
    49  H    4.679436   7.236253   7.774036   7.142174   7.022178
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098862   0.000000
     8  H    1.102039   1.796669   0.000000
     9  H    1.102264   1.795679   1.791950   0.000000
    10  C    2.489138   3.417475   2.779726   2.742239   0.000000
    11  H    2.628328   3.666363   2.473889   2.881339   1.101243
    12  H    3.394305   4.192266   3.653080   3.783494   1.097860
    13  H    2.908163   3.839990   3.374767   2.738918   1.102543
    14  C    7.177730   7.745728   6.658933   7.972590   5.899490
    15  O    7.655928   8.160692   7.004171   8.488561   6.694640
    16  N    6.882680   7.347000   6.543282   7.738650   5.583059
    17  H    7.205412   7.903179   6.703165   7.880892   5.647252
    18  C    7.150887   7.406288   6.844920   8.121203   6.257595
    19  H    6.513400   6.672286   6.340148   7.508076   5.750533
    20  H    8.181165   8.407885   7.920455   9.148306   7.205495
    21  H    7.208109   7.419343   6.766352   8.211320   6.604447
    22  C    6.697341   7.225500   6.557650   7.453442   5.013825
    23  H    7.630258   8.104888   7.565143   8.383667   5.910105
    24  H    5.855005   6.318983   5.840670   6.630747   4.263275
    25  H    6.728710   7.400022   6.554999   7.364104   4.784507
    26  C    3.909697   4.713567   2.920976   4.206581   4.002060
    27  O    4.023815   4.606366   2.942244   4.344882   4.789125
    28  N    4.759571   5.566827   3.836718   5.199750   4.296763
    29  H    3.522226   4.478275   2.731350   3.588403   3.351115
    30  C    5.257053   6.188913   4.545400   5.606609   4.054578
    31  H    6.276024   7.224914   5.535723   6.544044   5.047172
    32  H    5.484984   6.348941   4.861676   5.982239   4.071171
    33  H    4.751000   5.771838   4.191472   4.940455   3.318847
    34  C    5.742793   6.380786   4.753823   6.329891   5.499229
    35  H    6.651084   7.317688   5.632233   7.141038   6.391323
    36  H    5.490594   5.969924   4.454045   6.153537   5.705735
    37  H    6.134544   6.751080   5.241338   6.818067   5.608077
    38  C    5.533333   5.200480   5.203461   6.626026   6.306832
    39  O    5.109441   4.614327   5.022807   6.187717   6.021363
    40  N    5.250605   5.017629   4.681049   6.292427   6.202825
    41  H    6.476465   6.219575   6.124629   7.575460   6.963548
    42  C    4.292006   3.991411   3.669331   5.249393   5.718115
    43  H    3.505334   3.054000   3.115874   4.501421   5.093339
    44  H    4.976994   4.535707   4.375551   5.843942   6.662859
    45  H    4.063051   4.020299   3.215884   4.934708   5.344419
    46  C    6.236856   6.177156   5.495360   7.229468   6.922231
    47  H    7.016367   6.956979   6.345786   8.046576   7.469595
    48  H    5.911654   6.043073   5.069605   6.845825   6.365048
    49  H    6.808556   6.684005   6.011066   7.747198   7.734838
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795861   0.000000
    13  H    1.791333   1.798142   0.000000
    14  C    5.502362   5.282586   6.838783   0.000000
    15  O    6.179793   6.213065   7.675445   1.242896   0.000000
    16  N    5.435414   4.829618   6.543120   1.360880   2.316107
    17  H    5.198960   5.015173   6.476920   1.108183   2.057498
    18  C    6.203782   5.567222   7.282047   2.469474   2.865021
    19  H    5.853556   5.071819   6.769016   3.267765   3.773411
    20  H    7.209073   6.436571   8.194809   3.083523   3.426469
    21  H    6.412411   6.061026   7.674733   2.574367   2.477652
    22  C    5.082894   4.075349   5.843969   2.466059   3.636141
    23  H    6.082391   4.905394   6.674314   3.174224   4.277412
    24  H    4.504823   3.314769   5.112853   3.195764   4.279937
    25  H    4.753702   3.853090   5.507630   2.550068   3.792030
    26  C    2.961011   4.601003   4.600294   5.646680   5.746355
    27  O    3.858230   5.481724   5.390097   6.413538   6.341582
    28  N    3.261168   4.587317   5.021171   4.467732   4.532539
    29  H    2.303283   4.069948   3.747265   6.076244   6.372727
    30  C    3.084543   4.111359   4.671286   4.035021   4.402234
    31  H    4.074840   5.084284   5.553129   4.435436   4.687348
    32  H    3.289088   3.851525   4.818823   2.993847   3.523478
    33  H    2.358664   3.481264   3.758362   4.748150   5.292451
    34  C    4.545143   5.671240   6.334294   4.143130   3.809081
    35  H    5.378075   6.590168   7.142878   4.786465   4.322624
    36  H    4.815477   5.971769   6.586781   4.687221   4.249978
    37  H    4.762575   5.567349   6.517218   3.103427   2.712212
    38  C    6.259682   6.259470   7.342663   5.719620   5.599179
    39  O    6.173867   5.994819   6.982999   6.388164   6.468297
    40  N    5.936913   6.319600   7.232671   5.658398   5.373354
    41  H    6.903253   6.771214   8.031100   5.402647   5.192276
    42  C    5.410573   6.083524   6.645444   6.423535   6.235771
    43  H    4.967090   5.489948   5.972889   6.645260   6.655840
    44  H    6.347188   7.102250   7.530902   7.422830   7.135689
    45  H    4.846788   5.780762   6.252938   6.054395   5.842679
    46  C    6.474619   6.983513   7.976363   5.219991   4.637752
    47  H    7.086282   7.380079   8.555293   4.965759   4.307754
    48  H    5.790484   6.436217   7.406697   4.531757   3.941289
    49  H    7.229798   7.896406   8.752463   6.175828   5.481695
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056640   0.000000
    18  C    1.464945   3.417449   0.000000
    19  H    2.099011   4.089950   1.101661   0.000000
    20  H    2.121609   3.988059   1.102847   1.791107   0.000000
    21  H    2.102341   3.653136   1.097510   1.797726   1.797051
    22  C    1.463205   2.560214   2.490889   2.615571   2.927860
    23  H    2.115509   3.302050   2.800173   2.945478   2.816919
    24  H    2.106646   3.350574   2.729662   2.395111   3.325085
    25  H    2.104777   2.154440   3.417890   3.633040   3.886662
    26  C    6.139552   5.470752   6.802847   6.761833   7.878101
    27  O    6.877299   6.396894   7.333988   7.246909   8.422331
    28  N    5.145076   4.245948   5.935590   6.080493   6.963203
    29  H    6.460872   5.761985   7.229789   7.104371   8.294880
    30  C    4.741223   3.479406   5.826824   6.038526   6.770374
    31  H    5.346434   3.744552   6.510362   6.856393   7.380720
    32  H    3.674493   2.424230   4.835526   5.111228   5.736393
    33  H    5.237767   4.130157   6.342309   6.402615   7.293009
    34  C    5.005502   4.167974   5.613073   5.932709   6.589252
    35  H    5.813752   4.707724   6.479411   6.900692   7.392681
    36  H    5.382240   4.916621   5.726408   5.938787   6.731151
    37  H    4.053654   3.228126   4.692744   5.143656   5.614510
    38  C    5.201897   6.564590   4.308554   3.756803   5.076731
    39  O    5.685399   7.151385   4.829038   4.035506   5.564413
    40  N    5.451284   6.428886   4.808625   4.469437   5.696932
    41  H    4.854909   6.360874   3.748319   3.335847   4.360715
    42  C    6.289808   7.016222   5.886394   5.468818   6.863105
    43  H    6.337035   7.177367   5.961271   5.368936   6.941363
    44  H    7.326644   8.038625   6.847739   6.441501   7.781276
    45  H    6.122049   6.528650   5.956098   5.673234   6.993185
    46  C    5.309637   6.039001   4.729071   4.727595   5.564014
    47  H    4.981732   5.912481   4.193159   4.303671   4.877742
    48  H    4.831950   5.237693   4.550447   4.674978   5.471970
    49  H    6.364698   6.964997   5.790066   5.813452   6.581858
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391026   0.000000
    23  H    3.832184   1.102417   0.000000
    24  H    3.608746   1.102507   1.789703   0.000000
    25  H    4.178479   1.098921   1.797638   1.795225   0.000000
    26  C    6.538457   6.457972   7.560070   6.196479   6.154291
    27  O    6.929805   7.331461   8.428638   7.012337   7.154900
    28  N    5.666663   5.584798   6.673551   5.527608   5.230820
    29  H    7.118473   6.532680   7.617356   6.194578   6.130333
    30  C    5.786666   4.918064   5.962616   4.994801   4.320423
    31  H    6.434018   5.572807   6.552626   5.811514   4.865990
    32  H    4.883601   3.870937   4.904126   4.056626   3.298525
    33  H    6.432985   5.129208   6.157325   5.048346   4.466654
    34  C    5.106905   5.803385   6.841252   5.894975   5.600617
    35  H    5.932746   6.639900   7.645994   6.836222   6.344284
    36  H    5.096231   6.258886   7.292193   6.223706   6.218994
    37  H    4.198065   4.975347   5.962127   5.202351   4.828378
    38  C    3.814967   5.941602   6.580912   5.410872   6.691645
    39  O    4.585448   6.151376   6.740841   5.432321   6.921724
    40  N    4.141257   6.309604   7.097588   5.868358   6.892546
    41  H    3.164171   5.739807   6.258995   5.359588   6.578420
    42  C    5.328219   6.968899   7.858169   6.414594   7.404993
    43  H    5.588612   6.800714   7.667747   6.099499   7.248453
    44  H    6.217806   8.051715   8.924077   7.501055   8.499595
    45  H    5.385758   6.813929   7.786581   6.345495   7.100104
    46  C    3.825569   6.421770   7.211671   6.224444   6.938841
    47  H    3.200139   6.200705   6.865743   6.106062   6.823720
    48  H    3.687370   5.943664   6.821276   5.830013   6.312879
    49  H    4.842114   7.502458   8.299311   7.314795   7.983728
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242671   0.000000
    28  N    1.360976   2.314971   0.000000
    29  H    1.107872   2.057581   2.057083   0.000000
    30  C    2.466239   3.635083   1.463372   2.562392   0.000000
    31  H    3.132629   4.224341   2.117146   3.254088   1.103021
    32  H    3.234587   4.326552   2.107886   3.398158   1.101822
    33  H    2.555264   3.797604   2.103567   2.164354   1.098617
    34  C    2.462463   2.850936   1.465197   3.413468   2.497421
    35  H    3.021372   3.318354   2.123760   3.939710   2.955774
    36  H    2.586582   2.503217   2.100668   3.659993   3.388597
    37  H    3.293883   3.809915   2.098335   4.116417   2.612961
    38  C    6.223925   6.031109   6.117304   6.815931   6.892769
    39  O    6.596743   6.432904   6.648394   7.020818   7.344756
    40  N    5.312400   4.958442   5.273751   6.040993   6.261477
    41  H    6.851500   6.744846   6.542851   7.491255   7.215334
    42  C    4.627721   4.062129   4.957421   5.289091   6.094873
    43  H    4.759135   4.320998   5.207087   5.209721   6.205002
    44  H    5.331739   4.557692   5.774195   6.022647   7.009204
    45  H    3.621024   3.007918   3.987606   4.376247   5.225922
    46  C    5.346651   5.004769   5.053459   6.246604   6.075894
    47  H    6.174937   5.964851   5.703301   7.050604   6.556847
    48  H    4.453909   4.231770   4.030218   5.396960   5.056394
    49  H    5.762109   5.209986   5.589757   6.728116   6.750759
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787847   0.000000
    33  H    1.798833   1.793873   0.000000
    34  C    2.817742   2.732011   3.420539   0.000000
    35  H    2.863268   3.350282   3.910728   1.103435   0.000000
    36  H    3.847598   3.596574   4.169345   1.097475   1.796166
    37  H    2.945630   2.391973   3.628982   1.099512   1.790929
    38  C    7.818594   6.442937   7.265705   5.772526   6.752903
    39  O    8.350044   6.915404   7.545612   6.547021   7.581387
    40  N    7.125585   5.977214   6.711598   4.811659   5.724884
    41  H    8.074831   6.637262   7.691300   6.036466   6.971076
    42  C    6.991055   6.048639   6.391846   4.756334   5.646352
    43  H    7.190746   6.143453   6.327106   5.285959   6.251140
    44  H    7.853705   7.039527   7.314194   5.488537   6.264892
    45  H    6.067390   5.309444   5.561375   3.805248   4.656163
    46  C    6.772717   5.777539   6.738316   4.211072   4.966272
    47  H    7.216282   6.096304   7.273825   4.784007   5.510244
    48  H    5.702681   4.804838   5.782823   3.116169   3.885244
    49  H    7.374059   6.576789   7.433695   4.650065   5.241799
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795910   0.000000
    38  C    5.102783   5.513916   0.000000
    39  O    5.917577   6.344903   1.243018   0.000000
    40  N    3.996458   4.732670   1.361041   2.314998   0.000000
    41  H    5.449605   5.599651   1.108625   2.058279   2.058230
    42  C    3.855803   4.989347   2.469908   2.862771   1.465528
    43  H    4.514510   5.498858   2.574046   2.470705   2.104599
    44  H    4.488950   5.814712   3.090923   3.438488   2.121231
    45  H    2.888239   4.196405   3.262924   3.761349   2.099543
    46  C    3.389259   4.044632   2.466968   3.634682   1.463206
    47  H    4.122539   4.381005   2.554894   3.797081   2.106063
    48  H    2.351177   2.964681   3.151503   4.226715   2.108463
    49  H    3.699781   4.654351   3.216539   4.320739   2.111784
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419145   0.000000
    43  H    3.654468   1.097829   0.000000
    44  H    3.994887   1.102523   1.797027   0.000000
    45  H    4.087843   1.100637   1.795772   1.789933   0.000000
    46  C    2.564669   2.488323   3.384499   2.943121   2.598675
    47  H    2.162563   3.418363   4.184855   3.876885   3.638710
    48  H    3.294988   2.760641   3.608616   3.396474   2.428394
    49  H    3.364529   2.758830   3.801499   2.803089   2.852459
                   46         47         48         49
    46  C    0.000000
    47  H    1.098610   0.000000
    48  H    1.103434   1.795825   0.000000
    49  H    1.101876   1.796551   1.790946   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144029      0.1946345      0.1846088
 Leave Link  202 at Mon Nov 14 04:22:47 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.0983299578 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843000168 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9140299411 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4034
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.12D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.40%
 GePol: Cavity surface area                          =    468.084 Ang**2
 GePol: Cavity volume                                =    458.400 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040188987 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9100110424 Hartrees.
 Leave Link  301 at Mon Nov 14 04:22:47 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:22:49 2016, MaxMem=  2952790016 cpu:        14.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:22:49 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000236   -0.000262   -0.000038
         Rot=    1.000000    0.000008   -0.000008    0.000011 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:22:50 2016, MaxMem=  2952790016 cpu:         7.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48819468.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.02D-14 for   2339.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.82D-15 for   1891    719.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.77D-15 for   3993.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.71D-11 for   1681   1680.
 E= -1013.45141519203    
 DIIS: error= 2.43D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141519203     IErMin= 1 ErrMin= 2.43D-05
 ErrMax= 2.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.09D-07 BMatP= 8.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=4.89D-06 MaxDP=1.50D-04              OVMax= 1.99D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.89D-06    CP:  1.00D+00
 E= -1013.45141646502     Delta-E=       -0.000001272990 Rises=F Damp=F
 DIIS: error= 4.01D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141646502     IErMin= 2 ErrMin= 4.01D-06
 ErrMax= 4.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-08 BMatP= 8.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.291D-01 0.971D+00
 Coeff:      0.291D-01 0.971D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.17D-06 MaxDP=7.71D-05 DE=-1.27D-06 OVMax= 9.05D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.14D-06    CP:  1.00D+00  9.49D-01
 E= -1013.45141639502     Delta-E=        0.000000070002 Rises=F Damp=F
 DIIS: error= 1.08D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141646502     IErMin= 2 ErrMin= 4.01D-06
 ErrMax= 1.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-07 BMatP= 1.85D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.310D-02 0.712D+00 0.285D+00
 Coeff:      0.310D-02 0.712D+00 0.285D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.76D-07 MaxDP=6.38D-05 DE= 7.00D-08 OVMax= 7.86D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.39D-07    CP:  1.00D+00  9.66D-01  2.97D-01
 E= -1013.45141647931     Delta-E=       -0.000000084291 Rises=F Damp=F
 DIIS: error= 1.75D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141647931     IErMin= 4 ErrMin= 1.75D-06
 ErrMax= 1.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-09 BMatP= 1.85D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.409D-04 0.269D+00 0.163D+00 0.568D+00
 Coeff:      0.409D-04 0.269D+00 0.163D+00 0.568D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.68D-07 MaxDP=8.66D-06 DE=-8.43D-08 OVMax= 1.28D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.98D-08    CP:  1.00D+00  9.71D-01  3.35D-01  6.09D-01
 E= -1013.45141648113     Delta-E=       -0.000000001819 Rises=F Damp=F
 DIIS: error= 9.60D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141648113     IErMin= 5 ErrMin= 9.60D-07
 ErrMax= 9.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-10 BMatP= 2.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.343D-05 0.139D+00 0.927D-01 0.383D+00 0.385D+00
 Coeff:     -0.343D-05 0.139D+00 0.927D-01 0.383D+00 0.385D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.63D-08 MaxDP=3.71D-06 DE=-1.82D-09 OVMax= 3.60D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.73D-08    CP:  1.00D+00  9.71D-01  3.31D-01  6.32D-01  5.95D-01
 E= -1013.45141648152     Delta-E=       -0.000000000391 Rises=F Damp=F
 DIIS: error= 6.53D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141648152     IErMin= 6 ErrMin= 6.53D-08
 ErrMax= 6.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-12 BMatP= 3.66D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.143D-04 0.412D-01 0.284D-01 0.122D+00 0.154D+00 0.654D+00
 Coeff:     -0.143D-04 0.412D-01 0.284D-01 0.122D+00 0.154D+00 0.654D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.42D-09 MaxDP=3.80D-07 DE=-3.91D-10 OVMax= 5.12D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141648     A.U. after    6 cycles
            NFock=  6  Conv=0.74D-08     -V/T= 2.0213
 KE= 9.923507977389D+02 PE=-6.029367171624D+03 EE= 2.174654946362D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:24:08 2016, MaxMem=  2952790016 cpu:       886.6
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 04:24:17 2016, MaxMem=  2952790016 cpu:        96.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:24:17 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:24:54 2016, MaxMem=  2952790016 cpu:       441.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24678275D+00-2.53696706D+00 3.32050505D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000045397   -0.000048053   -0.000037471
      2        6           0.000004200    0.000033085    0.000013378
      3        8           0.000022669    0.000025086    0.000005095
      4        7          -0.000012905    0.000019077    0.000025847
      5        1           0.000017860    0.000025422   -0.000002439
      6        6           0.000016453    0.000046755    0.000061842
      7        1           0.000001510    0.000012111    0.000032974
      8        1           0.000000657    0.000009654    0.000036707
      9        1           0.000008553    0.000017804    0.000030820
     10        6           0.000028646    0.000013314    0.000020028
     11        1           0.000010500    0.000025414    0.000019433
     12        1           0.000023088    0.000026413    0.000001534
     13        1           0.000019556    0.000036517    0.000019532
     14        6          -0.000001463   -0.000004574   -0.000023502
     15        8          -0.000004636   -0.000013488   -0.000031434
     16        7          -0.000000653    0.000002950   -0.000035163
     17        1           0.000003961   -0.000006883   -0.000026277
     18        6          -0.000006345   -0.000001309   -0.000029651
     19        1           0.000001845    0.000008513   -0.000023603
     20        1           0.000006328   -0.000007942   -0.000049193
     21        1           0.000000506   -0.000011680   -0.000035411
     22        6           0.000020033    0.000014089   -0.000049673
     23        1           0.000020755    0.000008324   -0.000035625
     24        1           0.000025823    0.000009085   -0.000025749
     25        1           0.000018320    0.000013530   -0.000028553
     26        6          -0.000026541    0.000012182    0.000043626
     27        8           0.000016994   -0.000007459    0.000034830
     28        7          -0.000013701    0.000011457    0.000009727
     29        1          -0.000015105    0.000007597    0.000021165
     30        6           0.000003413    0.000020370    0.000000217
     31        1          -0.000010718   -0.000009316    0.000009332
     32        1          -0.000009187   -0.000006829   -0.000004740
     33        1           0.000016686    0.000010071    0.000016633
     34        6          -0.000018099   -0.000005736   -0.000001788
     35        1          -0.000017357   -0.000019581    0.000011158
     36        1          -0.000009584   -0.000019677    0.000021703
     37        1          -0.000013497   -0.000013730   -0.000001935
     38        6          -0.000029454   -0.000019810   -0.000043480
     39        8          -0.000000784   -0.000014600    0.000012947
     40        7          -0.000002290   -0.000014811    0.000002318
     41        1          -0.000012094   -0.000012967   -0.000011393
     42        6           0.000030003    0.000014732   -0.000023007
     43        1          -0.000008703    0.000000389    0.000019762
     44        1          -0.000052583   -0.000032446    0.000040006
     45        1          -0.000011700   -0.000017000    0.000017433
     46        6          -0.000026946   -0.000030164    0.000019560
     47        1          -0.000018093   -0.000034177   -0.000022002
     48        1          -0.000014150   -0.000037242   -0.000006326
     49        1          -0.000027166   -0.000034462    0.000000805
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000061842 RMS     0.000022267
 Leave Link  716 at Mon Nov 14 04:24:54 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000022694 RMS     0.000002769
 Search for a local minimum.
 Step number  96 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .27687D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   78   79
                                                     80   81   82   83   84
                                                     85   86   87   88   89
                                                     90   91   92   93   94
                                                     95   96
 DE= -1.73D-07 DEPred=-8.95D-08 R= 1.93D+00
 Trust test= 1.93D+00 RLast= 1.02D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1
 ITU=  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0
 ITU=  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00007   0.00048   0.00067   0.00095   0.00126
     Eigenvalues ---    0.00134   0.00169   0.00201   0.00222   0.00241
     Eigenvalues ---    0.00295   0.00366   0.00435   0.00482   0.00576
     Eigenvalues ---    0.00644   0.00708   0.00792   0.00805   0.00831
     Eigenvalues ---    0.00934   0.00941   0.01049   0.01163   0.01205
     Eigenvalues ---    0.01224   0.01303   0.01320   0.01474   0.01524
     Eigenvalues ---    0.01561   0.01677   0.01706   0.01743   0.01815
     Eigenvalues ---    0.01821   0.01892   0.01922   0.02050   0.02086
     Eigenvalues ---    0.02225   0.02297   0.02373   0.02463   0.02577
     Eigenvalues ---    0.02899   0.02988   0.03095   0.03593   0.03677
     Eigenvalues ---    0.04397   0.04495   0.04911   0.05371   0.05595
     Eigenvalues ---    0.05865   0.05985   0.06257   0.06309   0.06476
     Eigenvalues ---    0.06585   0.06949   0.07312   0.07447   0.07535
     Eigenvalues ---    0.07664   0.08015   0.08083   0.08136   0.08327
     Eigenvalues ---    0.08436   0.08694   0.08952   0.09038   0.09329
     Eigenvalues ---    0.09394   0.09741   0.09851   0.09922   0.09996
     Eigenvalues ---    0.10121   0.10336   0.10474   0.10838   0.10943
     Eigenvalues ---    0.11212   0.11309   0.11527   0.11571   0.13324
     Eigenvalues ---    0.13538   0.14198   0.14687   0.15133   0.15201
     Eigenvalues ---    0.15513   0.15775   0.20871   0.22776   0.22935
     Eigenvalues ---    0.23461   0.24683   0.24711   0.25962   0.26403
     Eigenvalues ---    0.26897   0.27304   0.28262   0.29244   0.29631
     Eigenvalues ---    0.29801   0.30684   0.32805   0.32823   0.32832
     Eigenvalues ---    0.32948   0.33306   0.33345   0.33358   0.33374
     Eigenvalues ---    0.33396   0.33422   0.33504   0.33537   0.33697
     Eigenvalues ---    0.33798   0.33821   0.33841   0.33921   0.33954
     Eigenvalues ---    0.34046   0.34208   0.34265   0.37281   0.38739
     Eigenvalues ---    0.39782   0.40818   0.85955   0.86109   0.86466
     Eigenvalues ---    0.89268
 Eigenvalue     1 is   6.56D-05 Eigenvector:
                         D399      D381      D397      D383      D385
   1                   -0.23674  -0.22818  -0.22223  -0.21629  -0.21626
                         D387      D395      D405      D407      D403
   1                   -0.21460  -0.21396  -0.21342  -0.21226  -0.21182
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    96   95   94   93   92
 RFO step:  Lambda=-2.22444049D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.85D-07 SmlDif=  1.00D-05
 RMS Error=  0.1552681716D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.02418   -0.76998   -0.71125    0.48808   -0.03103
 Iteration  1 RMS(Cart)=  0.00049356 RMS(Int)=  0.00000122
 Iteration  2 RMS(Cart)=  0.00000083 RMS(Int)=  0.00000008
 ITry= 1 IFail=0 DXMaxC= 3.62D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59533   0.00000   0.00001  -0.00011  -0.00010   6.59523
    R2        6.26421  -0.00001   0.00014  -0.00017  -0.00004   6.26417
    R3        7.25323   0.00000   0.00018  -0.00033  -0.00015   7.25308
    R4        6.34703   0.00000   0.00017  -0.00041  -0.00024   6.34678
    R5        6.52996  -0.00001  -0.00010  -0.00011  -0.00021   6.52975
    R6        5.97596   0.00000  -0.00104  -0.00014  -0.00118   5.97478
    R7        6.70233   0.00000  -0.00060   0.00009  -0.00050   6.70183
    R8        6.23081   0.00000  -0.00038  -0.00007  -0.00045   6.23036
    R9        6.66394   0.00000  -0.00073  -0.00003  -0.00076   6.66318
   R10        6.06858   0.00000  -0.00145  -0.00015  -0.00160   6.06699
   R11        6.95404   0.00000  -0.00035  -0.00008  -0.00043   6.95361
   R12        6.02764   0.00000  -0.00014   0.00001  -0.00013   6.02751
   R13        6.88791   0.00001  -0.00044   0.00027  -0.00017   6.88775
   R14        6.19600   0.00000   0.00016  -0.00020  -0.00005   6.19595
   R15        6.86463  -0.00001  -0.00023  -0.00058  -0.00081   6.86382
   R16        5.95356  -0.00001  -0.00055  -0.00049  -0.00104   5.95253
   R17        6.68519   0.00000   0.00030  -0.00005   0.00025   6.68544
   R18        6.57834   0.00000  -0.00020  -0.00002  -0.00022   6.57812
   R19        6.22279   0.00000  -0.00028  -0.00015  -0.00043   6.22236
   R20        6.57689   0.00000  -0.00014  -0.00021  -0.00035   6.57654
   R21        6.04882   0.00000   0.00024   0.00031   0.00056   6.04938
   R22        7.01061   0.00000  -0.00044  -0.00012  -0.00055   7.01006
   R23        6.02083   0.00000  -0.00011  -0.00003  -0.00013   6.02070
   R24        2.34967   0.00000  -0.00001   0.00001   0.00000   2.34967
   R25        2.57151   0.00000  -0.00001   0.00001   0.00000   2.57151
   R26        2.09473   0.00000   0.00000   0.00000   0.00000   2.09473
   R27        2.76505   0.00001   0.00002   0.00002   0.00004   2.76509
   R28        2.76821   0.00001  -0.00002   0.00003   0.00001   2.76822
   R29        2.07655   0.00000   0.00000   0.00000   0.00000   2.07655
   R30        2.08255   0.00000  -0.00001  -0.00003  -0.00004   2.08251
   R31        2.08298   0.00000  -0.00001   0.00000  -0.00001   2.08297
   R32        2.08105   0.00000   0.00002   0.00000   0.00002   2.08107
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07465
   R34        2.08350   0.00000  -0.00001   0.00000  -0.00001   2.08350
   R35        2.34873   0.00000   0.00000   0.00000   0.00000   2.34873
   R36        2.57169   0.00000   0.00004   0.00001   0.00005   2.57174
   R37        2.09416   0.00000   0.00000   0.00000   0.00000   2.09416
   R38        2.76834   0.00000   0.00007   0.00000   0.00007   2.76841
   R39        2.76506   0.00000   0.00005   0.00002   0.00007   2.76512
   R40        2.08184   0.00000   0.00004  -0.00001   0.00003   2.08187
   R41        2.08408   0.00000  -0.00001   0.00000  -0.00001   2.08407
   R42        2.07399   0.00000  -0.00001  -0.00001  -0.00002   2.07398
   R43        2.08327   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08344   0.00000   0.00002  -0.00002   0.00000   2.08344
   R45        2.07666   0.00000   0.00000   0.00000   0.00000   2.07666
   R46        2.34831   0.00000   0.00000   0.00000  -0.00001   2.34830
   R47        2.57187   0.00000   0.00000   0.00001   0.00001   2.57188
   R48        2.09357   0.00000   0.00001   0.00000   0.00001   2.09358
   R49        2.76537   0.00001   0.00002   0.00002   0.00004   2.76541
   R50        2.76882   0.00000  -0.00001   0.00000  -0.00001   2.76881
   R51        2.08441   0.00000  -0.00001   0.00000  -0.00001   2.08440
   R52        2.08214   0.00000  -0.00001   0.00001   0.00000   2.08214
   R53        2.07608   0.00000   0.00001   0.00000   0.00001   2.07610
   R54        2.08519   0.00000  -0.00001   0.00000  -0.00001   2.08518
   R55        2.07393   0.00000   0.00001   0.00000   0.00001   2.07394
   R56        2.07778   0.00000   0.00000   0.00000   0.00000   2.07778
   R57        2.34896  -0.00002  -0.00002  -0.00001  -0.00003   2.34893
   R58        2.57200   0.00001   0.00007   0.00000   0.00006   2.57206
   R59        2.09500   0.00000   0.00000  -0.00001  -0.00001   2.09499
   R60        2.76945   0.00001   0.00001   0.00001   0.00002   2.76946
   R61        2.76506   0.00001  -0.00004   0.00003  -0.00001   2.76505
   R62        2.07460   0.00000   0.00000   0.00000   0.00000   2.07460
   R63        2.08347   0.00000   0.00000   0.00000   0.00000   2.08347
   R64        2.07990   0.00000   0.00001  -0.00001   0.00000   2.07990
   R65        2.07607   0.00000   0.00000   0.00000   0.00000   2.07607
   R66        2.08519   0.00001   0.00001   0.00000   0.00001   2.08519
   R67        2.08224   0.00000   0.00001   0.00000   0.00000   2.08225
    A1        0.68023   0.00000  -0.00002   0.00003   0.00001   0.68024
    A2        0.95697   0.00000  -0.00003   0.00004   0.00000   0.95698
    A3        0.72705   0.00000   0.00000   0.00002   0.00003   0.72708
    A4        1.01893   0.00000   0.00003   0.00003   0.00006   1.01898
    A5        2.34734   0.00000   0.00018   0.00009   0.00027   2.34761
    A6        2.02714   0.00000   0.00000  -0.00002  -0.00001   2.02712
    A7        1.97990   0.00000  -0.00026  -0.00019  -0.00045   1.97946
    A8        1.68692   0.00000  -0.00031  -0.00021  -0.00053   1.68640
    A9        1.65765   0.00000   0.00007   0.00005   0.00012   1.65777
   A10        1.37602   0.00000   0.00001   0.00002   0.00004   1.37606
   A11        1.73323   0.00000   0.00006   0.00011   0.00017   1.73340
   A12        2.03778   0.00000   0.00017   0.00013   0.00030   2.03808
   A13        1.94328   0.00000   0.00032   0.00015   0.00046   1.94375
   A14        2.03214   0.00000   0.00036   0.00022   0.00057   2.03271
   A15        2.43199   0.00000   0.00008   0.00011   0.00018   2.43218
   A16        1.58809   0.00000  -0.00025  -0.00007  -0.00032   1.58776
   A17        1.78871   0.00000  -0.00023  -0.00004  -0.00027   1.78844
   A18        1.56788   0.00000  -0.00022  -0.00004  -0.00025   1.56762
   A19        1.70819   0.00000  -0.00018   0.00006  -0.00012   1.70807
   A20        2.19207   0.00000  -0.00020  -0.00003  -0.00023   2.19184
   A21        2.41234   0.00000  -0.00022  -0.00004  -0.00026   2.41208
   A22        0.64302   0.00000  -0.00002   0.00003   0.00001   0.64303
   A23        0.65907   0.00000   0.00004   0.00002   0.00007   0.65914
   A24        2.40102   0.00000   0.00038   0.00026   0.00064   2.40165
   A25        2.22675   0.00000   0.00014   0.00009   0.00023   2.22697
   A26        2.32303   0.00000  -0.00017  -0.00012  -0.00029   2.32274
   A27        2.05845   0.00000  -0.00027  -0.00018  -0.00044   2.05800
   A28        1.81908   0.00000   0.00012   0.00009   0.00021   1.81929
   A29        1.57826   0.00000   0.00002   0.00004   0.00006   1.57832
   A30        1.33983   0.00000   0.00005   0.00010   0.00014   1.33997
   A31        1.63921   0.00000   0.00018   0.00012   0.00030   1.63951
   A32        1.59019   0.00000   0.00035   0.00017   0.00052   1.59071
   A33        1.74370   0.00000   0.00040   0.00026   0.00066   1.74436
   A34        2.03549   0.00000   0.00009   0.00010   0.00018   2.03568
   A35        1.85241   0.00000  -0.00021  -0.00002  -0.00023   1.85218
   A36        1.92121   0.00000  -0.00017   0.00002  -0.00016   1.92105
   A37        1.57364   0.00000  -0.00017   0.00002  -0.00015   1.57349
   A38        1.59252   0.00000  -0.00014   0.00011  -0.00002   1.59250
   A39        2.27675   0.00000  -0.00012   0.00004  -0.00008   2.27668
   A40        2.37252   0.00000  -0.00016   0.00002  -0.00013   2.37238
   A41        0.68890   0.00000   0.00000   0.00003   0.00003   0.68892
   A42        0.74624   0.00000   0.00008   0.00002   0.00011   0.74635
   A43        2.66629   0.00000   0.00047   0.00034   0.00081   2.66710
   A44        2.60608   0.00000   0.00017   0.00014   0.00031   2.60639
   A45        2.65810   0.00000  -0.00031  -0.00017  -0.00048   2.65762
   A46        2.35321   0.00000  -0.00038  -0.00021  -0.00059   2.35262
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   A279       1.75275  -0.00001  -0.00062  -0.00018  -0.00079   1.75196
   A280       2.18980   0.00001  -0.00001   0.00001   0.00000   2.18980
   A281       2.13056   0.00000   0.00006  -0.00002   0.00003   2.13059
   A282       1.96276   0.00000  -0.00005   0.00001  -0.00004   1.96272
   A283       2.12275   0.00000   0.00008   0.00001   0.00009   2.12284
   A284       2.11495   0.00000  -0.00002  -0.00001  -0.00002   2.11493
   A285       2.04257   0.00000  -0.00003  -0.00001  -0.00004   2.04252
   A286       2.70159  -0.00001  -0.00022   0.00015  -0.00006   2.70152
   A287       1.65744   0.00001   0.00019  -0.00018   0.00001   1.65745
   A288       1.92648   0.00000  -0.00013  -0.00001  -0.00014   1.92635
   A289       1.91485   0.00001   0.00002   0.00003   0.00004   1.91489
   A290       1.91221   0.00000   0.00003  -0.00001   0.00002   1.91224
   A291       1.89128  -0.00001  -0.00001  -0.00003  -0.00004   1.89124
   A292       1.91253   0.00000   0.00002   0.00001   0.00002   1.91255
   A293       1.90627   0.00000   0.00007   0.00002   0.00009   1.90636
   A294       1.34857   0.00001  -0.00038  -0.00004  -0.00042   1.34815
   A295       1.15504   0.00000   0.00021   0.00011   0.00031   1.15536
   A296       1.93308   0.00000   0.00008   0.00000   0.00008   1.93316
   A297       1.90719   0.00000  -0.00004   0.00002  -0.00001   1.90717
   A298       1.90185   0.00000  -0.00006   0.00000  -0.00006   1.90179
   A299       1.90926  -0.00001   0.00004  -0.00002   0.00003   1.90929
   A300       1.89847   0.00000   0.00006   0.00001   0.00007   1.89853
   A301       1.91391   0.00000  -0.00009  -0.00001  -0.00010   1.91381
   A302       1.64620   0.00000   0.00000   0.00005   0.00005   1.64626
   A303       1.80620   0.00000  -0.00006   0.00004  -0.00002   1.80617
   A304       2.18924   0.00000  -0.00003  -0.00001  -0.00004   2.18920
   A305       2.13010   0.00000   0.00002   0.00001   0.00003   2.13013
   A306       1.96349   0.00000   0.00001   0.00000   0.00001   1.96350
   A307       2.12524   0.00000  -0.00007  -0.00003  -0.00011   2.12513
   A308       2.12394   0.00000  -0.00003   0.00002  -0.00001   2.12393
   A309       2.03054   0.00000   0.00011   0.00002   0.00012   2.03067
   A310       1.30142   0.00000  -0.00014  -0.00029  -0.00043   1.30099
   A311       3.04836   0.00000   0.00029   0.00031   0.00060   3.04897
   A312       1.91186   0.00000  -0.00004   0.00001  -0.00003   1.91184
   A313       1.93010   0.00000   0.00002   0.00003   0.00006   1.93015
   A314       1.90195   0.00000   0.00007  -0.00005   0.00002   1.90197
   A315       1.91133  -0.00001  -0.00010  -0.00002  -0.00011   1.91122
   A316       1.91179   0.00000  -0.00005   0.00003  -0.00002   1.91176
   A317       1.89664   0.00000   0.00009   0.00000   0.00009   1.89674
   A318       1.78480   0.00000  -0.00043  -0.00014  -0.00057   1.78423
   A319       1.91589   0.00000  -0.00003   0.00000  -0.00003   1.91586
   A320       1.91415   0.00000   0.00001  -0.00003  -0.00002   1.91413
   A321       1.92041   0.00000   0.00007   0.00002   0.00009   1.92050
   A322       1.90727   0.00000  -0.00004  -0.00002  -0.00006   1.90721
   A323       1.91041   0.00000  -0.00001   0.00002   0.00001   1.91043
   A324       1.89550   0.00000   0.00000   0.00001   0.00002   1.89552
   A325       2.93687   0.00000  -0.00029  -0.00015  -0.00044   2.93643
   A326       3.36584   0.00000  -0.00011   0.00011   0.00000   3.36584
   A327       3.08422   0.00000  -0.00017   0.00008  -0.00008   3.08413
   A328       3.19677   0.00000   0.00042   0.00006   0.00047   3.19724
   A329       3.27090   0.00000   0.00035   0.00009   0.00044   3.27133
   A330       3.25783   0.00001  -0.00033  -0.00006  -0.00039   3.25744
   A331       3.69521   0.00000  -0.00044  -0.00012  -0.00056   3.69465
   A332       3.22183   0.00000   0.00041   0.00025   0.00066   3.22249
   A333       2.97389   0.00000  -0.00025  -0.00027  -0.00052   2.97338
   A334       2.90762   0.00000  -0.00013  -0.00019  -0.00031   2.90731
   A335       3.22937   0.00000   0.00032  -0.00001   0.00031   3.22968
   A336       3.07671   0.00000  -0.00025  -0.00002  -0.00028   3.07643
   A337       3.10413   0.00000   0.00012   0.00010   0.00022   3.10435
   A338       3.04596   0.00000   0.00002   0.00002   0.00005   3.04601
    D1        2.75791   0.00000  -0.00001   0.00004   0.00003   2.75794
    D2       -1.36143   0.00000  -0.00002   0.00005   0.00004  -1.36139
    D3        2.78095   0.00000  -0.00002   0.00004   0.00002   2.78097
    D4       -1.33839   0.00000  -0.00003   0.00005   0.00002  -1.33837
    D5        1.66187   0.00000  -0.00001   0.00003   0.00002   1.66189
    D6       -2.45747   0.00000  -0.00002   0.00005   0.00002  -2.45745
    D7        1.84304   0.00000  -0.00011   0.00003  -0.00008   1.84296
    D8       -2.27630   0.00000  -0.00012   0.00004  -0.00008  -2.27638
    D9        0.31230   0.00000  -0.00062  -0.00044  -0.00106   0.31125
   D10        2.47615   0.00000  -0.00063  -0.00042  -0.00105   2.47510
   D11        0.02806   0.00000  -0.00042  -0.00025  -0.00067   0.02739
   D12        2.19191   0.00000  -0.00043  -0.00024  -0.00067   2.19124
   D13       -0.44088   0.00000  -0.00042  -0.00021  -0.00063  -0.44152
   D14        1.72296   0.00000  -0.00044  -0.00020  -0.00063   1.72233
   D15       -0.56122   0.00000  -0.00035  -0.00013  -0.00047  -0.56170
   D16        1.60262   0.00000  -0.00036  -0.00011  -0.00047   1.60215
   D17        0.20965   0.00000  -0.00019  -0.00008  -0.00027   0.20937
   D18        2.37349   0.00000  -0.00020  -0.00007  -0.00027   2.37322
   D19        0.14338   0.00000  -0.00007   0.00000  -0.00007   0.14331
   D20        2.30722   0.00000  -0.00008   0.00001  -0.00007   2.30715
   D21        2.39722   0.00000  -0.00023  -0.00012  -0.00035   2.39687
   D22       -1.72212   0.00000  -0.00024  -0.00011  -0.00035  -1.72246
   D23        2.15432   0.00000  -0.00013  -0.00008  -0.00021   2.15411
   D24       -1.96501   0.00000  -0.00014  -0.00007  -0.00021  -1.96522
   D25        1.71161   0.00000  -0.00024  -0.00016  -0.00040   1.71121
   D26       -2.40773   0.00000  -0.00025  -0.00015  -0.00040  -2.40812
   D27        1.40484   0.00000  -0.00026  -0.00020  -0.00046   1.40438
   D28       -2.71450   0.00000  -0.00028  -0.00019  -0.00046  -2.71496
   D29        2.36573   0.00000   0.00012   0.00002   0.00014   2.36587
   D30       -1.75361   0.00000   0.00011   0.00003   0.00015  -1.75347
   D31       -1.75025   0.00000   0.00007   0.00017   0.00023  -1.75002
   D32        0.41360   0.00000   0.00006   0.00018   0.00023   0.41383
   D33       -2.10029   0.00000   0.00006   0.00018   0.00024  -2.10005
   D34        0.06356   0.00000   0.00005   0.00019   0.00025   0.06380
   D35       -2.47539   0.00000   0.00005   0.00016   0.00021  -2.47518
   D36       -0.31155   0.00000   0.00004   0.00017   0.00021  -0.31133
   D37       -2.76425   0.00000   0.00006   0.00019   0.00024  -2.76400
   D38       -0.60040   0.00000   0.00005   0.00020   0.00025  -0.60015
   D39       -2.12585   0.00000   0.00012   0.00021   0.00032  -2.12553
   D40        0.03799   0.00000   0.00011   0.00022   0.00033   0.03832
   D41       -2.36748   0.00000   0.00004   0.00018   0.00022  -2.36726
   D42       -0.20363   0.00000   0.00003   0.00020   0.00023  -0.20341
   D43        1.26275   0.00000   0.00001   0.00003   0.00004   1.26279
   D44       -1.92896   0.00000   0.00009  -0.00007   0.00001  -1.92895
   D45        2.45705   0.00000   0.00004   0.00002   0.00005   2.45711
   D46       -0.73466   0.00000   0.00012  -0.00008   0.00003  -0.73463
   D47        2.94277   0.00000  -0.00002   0.00001  -0.00001   2.94276
   D48       -0.24894   0.00000   0.00005  -0.00009  -0.00003  -0.24898
   D49        2.86679   0.00000  -0.00014  -0.00008  -0.00022   2.86657
   D50       -0.32493   0.00000  -0.00006  -0.00018  -0.00024  -0.32517
   D51        2.04383   0.00000  -0.00065  -0.00039  -0.00104   2.04278
   D52       -1.14789   0.00000  -0.00057  -0.00050  -0.00107  -1.14895
   D53        1.14969  -0.00001  -0.00076  -0.00044  -0.00120   1.14848
   D54       -2.04203  -0.00001  -0.00069  -0.00054  -0.00123  -2.04326
   D55        1.01282   0.00000  -0.00039  -0.00016  -0.00055   1.01227
   D56       -2.17890   0.00000  -0.00031  -0.00026  -0.00057  -2.17947
   D57        2.02148   0.00000  -0.00016  -0.00007  -0.00023   2.02124
   D58       -1.17024   0.00000  -0.00009  -0.00017  -0.00026  -1.17050
   D59        1.82630   0.00000  -0.00005   0.00000  -0.00005   1.82625
   D60       -1.36541   0.00000   0.00003  -0.00010  -0.00007  -1.36549
   D61       -2.28067   0.00000  -0.00021  -0.00012  -0.00033  -2.28100
   D62        0.81080   0.00000  -0.00013  -0.00022  -0.00035   0.81045
   D63       -2.41409   0.00000  -0.00003  -0.00003  -0.00006  -2.41415
   D64        0.67738   0.00000   0.00005  -0.00013  -0.00009   0.67730
   D65       -2.81664   0.00000   0.00000  -0.00005  -0.00005  -2.81669
   D66        0.27483   0.00000   0.00008  -0.00015  -0.00007   0.27475
   D67       -2.99222   0.00000   0.00005   0.00000   0.00005  -2.99217
   D68        0.09925   0.00000   0.00013  -0.00010   0.00003   0.09928
   D69       -2.13644   0.00000   0.00011   0.00004   0.00015  -2.13628
   D70        0.95503   0.00000   0.00019  -0.00006   0.00013   0.95516
   D71       -0.15923   0.00000   0.00023   0.00016   0.00039  -0.15884
   D72        2.93224   0.00000   0.00031   0.00006   0.00037   2.93261
   D73       -0.55765   0.00000   0.00021   0.00016   0.00037  -0.55729
   D74        2.53382   0.00000   0.00028   0.00006   0.00034   2.53416
   D75       -0.72585   0.00000   0.00019   0.00016   0.00035  -0.72551
   D76        2.36562   0.00000   0.00026   0.00006   0.00032   2.36594
   D77       -1.06378   0.00000   0.00015   0.00014   0.00030  -1.06348
   D78        2.02769   0.00000   0.00023   0.00004   0.00027   2.02797
   D79       -0.84217   0.00000   0.00024   0.00015   0.00039  -0.84179
   D80        2.24930   0.00000   0.00032   0.00005   0.00037   2.24966
   D81       -1.14515   0.00000   0.00020   0.00012   0.00032  -1.14483
   D82        1.94632   0.00000   0.00027   0.00002   0.00030   1.94662
   D83       -1.53309   0.00000   0.00026  -0.00001   0.00025  -1.53283
   D84       -2.60898   0.00000   0.00030  -0.00003   0.00027  -2.60871
   D85       -2.94712   0.00000   0.00030  -0.00002   0.00027  -2.94684
   D86        0.73482   0.00000   0.00007  -0.00019  -0.00011   0.73470
   D87        0.31053   0.00000  -0.00001  -0.00020  -0.00021   0.31032
   D88       -0.06724   0.00000  -0.00030  -0.00035  -0.00065  -0.06790
   D89       -0.40421   0.00000  -0.00026  -0.00029  -0.00054  -0.40475
   D90        0.18395   0.00000   0.00018  -0.00006   0.00011   0.18407
   D91       -0.05422   0.00000   0.00023  -0.00002   0.00021  -0.05401
   D92        2.39979   0.00000   0.00003  -0.00020  -0.00017   2.39962
   D93        2.05269   0.00000   0.00010  -0.00014  -0.00004   2.05265
   D94        1.65790   0.00000   0.00002  -0.00020  -0.00018   1.65772
   D95        1.37163   0.00000   0.00010  -0.00018  -0.00008   1.37155
   D96        2.05740   0.00000   0.00031  -0.00007   0.00024   2.05765
   D97       -1.89378   0.00000   0.00044   0.00018   0.00062  -1.89316
   D98       -2.43392   0.00000   0.00051   0.00018   0.00069  -2.43323
   D99       -2.65099   0.00000   0.00046   0.00012   0.00057  -2.65042
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   D101      -2.90598   0.00000   0.00070   0.00018   0.00088  -2.90510
   D102       2.84172   0.00000   0.00066   0.00009   0.00075   2.84247
   D103      -2.89522   0.00000   0.00062   0.00053   0.00115  -2.89408
   D104       1.20227   0.00000   0.00062   0.00054   0.00116   1.20343
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   D106       0.62779   0.00000   0.00049   0.00045   0.00094   0.62873
   D107       2.30948   0.00000   0.00033   0.00028   0.00061   2.31009
   D108       0.12378   0.00000   0.00033   0.00029   0.00062   0.12440
   D109       1.74447   0.00000  -0.00011  -0.00006  -0.00017   1.74430
   D110      -0.44122   0.00000  -0.00010  -0.00006  -0.00016  -0.44138
   D111       2.59221   0.00000   0.00027   0.00026   0.00053   2.59274
   D112       0.40652   0.00000   0.00027   0.00027   0.00054   0.40706
   D113       2.25459   0.00000   0.00023   0.00020   0.00044   2.25502
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   D118       2.32678   0.00000   0.00004   0.00004   0.00007   2.32686
   D119      -2.73523   0.00000  -0.00007  -0.00002  -0.00009  -2.73532
   D120       1.36226   0.00000  -0.00006  -0.00002  -0.00008   1.36218
   D121      -2.69573   0.00000  -0.00005   0.00001  -0.00003  -2.69576
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   D123       1.32976   0.00000   0.00023   0.00019   0.00042   1.33018
   D124      -0.85594   0.00000   0.00024   0.00019   0.00043  -0.85550
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   D126      -0.88522   0.00000   0.00021   0.00023   0.00044  -0.88479
   D127       1.65705   0.00000   0.00018   0.00027   0.00045   1.65750
   D128      -0.52864   0.00000   0.00019   0.00027   0.00046  -0.52818
   D129       1.78105   0.00000   0.00016   0.00023   0.00038   1.78143
   D130      -0.40465   0.00000   0.00016   0.00023   0.00039  -0.40425
   D131       0.90025   0.00000   0.00022   0.00024   0.00046   0.90071
   D132      -1.28544   0.00000   0.00023   0.00025   0.00047  -1.28497
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   D138      -2.42578   0.00000  -0.00025  -0.00020  -0.00045  -2.42623
   D139       0.16509   0.00000  -0.00023  -0.00024  -0.00046   0.16463
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   D144      -2.24223   0.00000   0.00013   0.00013   0.00026  -2.24198
   D145      -2.46996   0.00000   0.00029   0.00032   0.00061  -2.46935
   D146      -2.71743   0.00000   0.00053   0.00046   0.00098  -2.71645
   D147      -2.39254   0.00001   0.00081   0.00063   0.00145  -2.39109
   D148       3.00875   0.00000   0.00047   0.00041   0.00088   3.00963
   D149       2.62534   0.00000   0.00049   0.00045   0.00094   2.62627
   D150       1.51317   0.00000  -0.00025  -0.00005  -0.00030   1.51287
   D151       2.61496   0.00000  -0.00027  -0.00005  -0.00032   2.61463
   D152       2.99140   0.00000  -0.00024  -0.00003  -0.00027   2.99114
   D153       1.18509   0.00000   0.00013   0.00022   0.00035   1.18544
   D154       1.24626   0.00000   0.00001   0.00018   0.00020   1.24646
   D155       1.63801   0.00000  -0.00001   0.00022   0.00021   1.63822
   D156       1.71229   0.00000  -0.00008   0.00013   0.00005   1.71234
   D157       0.89549   0.00000  -0.00007   0.00015   0.00008   0.89557
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   D162      -0.28397   0.00000  -0.00003   0.00018   0.00014  -0.28383
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   D384      -1.95720   0.00000   0.00032   0.00007   0.00039  -1.95681
   D385       1.87766   0.00000   0.00056   0.00133   0.00189   1.87955
   D386      -1.62923   0.00000   0.00029   0.00003   0.00032  -1.62891
   D387       2.20563   0.00000   0.00053   0.00130   0.00182   2.20745
   D388      -1.69628   0.00000   0.00022  -0.00017   0.00005  -1.69622
   D389       2.13859   0.00000   0.00046   0.00110   0.00155   2.14014
   D390      -1.12638   0.00000   0.00009  -0.00030  -0.00022  -1.12659
   D391       2.70849   0.00000   0.00033   0.00096   0.00129   2.70977
   D392       1.79955   0.00000  -0.00006  -0.00010  -0.00016   1.79939
   D393      -0.64877   0.00000   0.00018   0.00116   0.00134  -0.64743
   D394       2.10276   0.00000   0.00003  -0.00009  -0.00006   2.10270
   D395      -0.34557   0.00000   0.00026   0.00118   0.00144  -0.34412
   D396       2.05740   0.00000   0.00017   0.00000   0.00016   2.05756
   D397      -0.39093   0.00000   0.00041   0.00126   0.00167  -0.38926
   D398       2.26852   0.00000   0.00030   0.00020   0.00050   2.26902
   D399      -0.17981   0.00000   0.00054   0.00147   0.00200  -0.17780
   D400       2.50005   0.00000  -0.00005  -0.00012  -0.00017   2.49988
   D401       0.05173   0.00000   0.00019   0.00114   0.00134   0.05306
   D402      -1.53636   0.00000  -0.00001  -0.00015  -0.00016  -1.53652
   D403       2.29850   0.00000   0.00023   0.00111   0.00134   2.29985
   D404      -2.63305   0.00000  -0.00002  -0.00016  -0.00018  -2.63323
   D405       1.20181   0.00000   0.00022   0.00111   0.00133   1.20314
   D406      -2.98210   0.00000  -0.00013  -0.00019  -0.00032  -2.98242
   D407       0.85276   0.00000   0.00011   0.00107   0.00119   0.85395
   D408       1.91477   0.00000   0.00004   0.00000   0.00004   1.91481
   D409       2.41264   0.00000  -0.00005  -0.00001  -0.00006   2.41258
   D410       2.64330   0.00000   0.00001   0.00007   0.00009   2.64339
   D411       2.87581   0.00000   0.00005   0.00010   0.00015   2.87596
   D412       2.84450   0.00000  -0.00026  -0.00005  -0.00031   2.84419
   D413      -2.94150   0.00000  -0.00006   0.00008   0.00002  -2.94148
   D414      -0.74692   0.00000   0.00040   0.00034   0.00074  -0.74618
   D415      -0.36753   0.00000   0.00042   0.00031   0.00073  -0.36679
   D416      -0.05502   0.00000   0.00052   0.00037   0.00089  -0.05413
   D417       0.25296   0.00000   0.00055   0.00036   0.00091   0.25388
   D418      -0.23701   0.00000   0.00034   0.00022   0.00056  -0.23645
   D419       0.07166   0.00000   0.00032   0.00015   0.00048   0.07213
   D420      -2.55526   0.00000   0.00028   0.00028   0.00056  -2.55470
   D421      -2.17359   0.00000   0.00032   0.00026   0.00058  -2.17302
   D422      -1.92465   0.00000   0.00048   0.00038   0.00086  -1.92378
   D423      -1.60937   0.00000   0.00049   0.00045   0.00094  -1.60843
   D424      -1.96417   0.00000   0.00016   0.00017   0.00032  -1.96385
   D425       1.30707   0.00000   0.00016   0.00008   0.00024   1.30731
   D426       2.47231   0.00000   0.00011   0.00006   0.00017   2.47248
   D427       2.94829   0.00000   0.00010   0.00011   0.00021   2.94850
   D428      -3.07261   0.00001  -0.00020   0.00018  -0.00002  -3.07262
   D429       0.02727   0.00001  -0.00034   0.00013  -0.00021   0.02707
   D430       0.04001   0.00001  -0.00022   0.00025   0.00003   0.04004
   D431       3.13989   0.00001  -0.00037   0.00020  -0.00016   3.13973
   D432      -0.08471   0.00000   0.00010  -0.00007   0.00003  -0.08468
   D433       2.01476   0.00000   0.00000  -0.00005  -0.00005   2.01471
   D434      -2.18177   0.00000   0.00010  -0.00009   0.00002  -2.18175
   D435       3.09646   0.00000   0.00024  -0.00002   0.00021   3.09667
   D436      -1.08725   0.00000   0.00013  -0.00001   0.00013  -1.08712
   D437       0.99940   0.00000   0.00024  -0.00004   0.00019   0.99960
   D438      -2.36860   0.00000   0.00064   0.00000   0.00065  -2.36795
   D439      -0.27843   0.00000   0.00063   0.00001   0.00064  -0.27779
   D440       1.82894   0.00000   0.00065   0.00002   0.00066   1.82961
   D441       0.73335   0.00000   0.00051  -0.00004   0.00047   0.73382
   D442       2.82352   0.00000   0.00049  -0.00003   0.00046   2.82398
   D443      -1.35229   0.00000   0.00051  -0.00003   0.00048  -1.35181
   D444      -0.00071   0.00000   0.00015  -0.00007   0.00008  -0.00063
   D445       3.11449   0.00000  -0.00018   0.00001  -0.00017   3.11432
   D446      -3.12052   0.00000   0.00014  -0.00006   0.00008  -3.12044
   D447      -0.00532   0.00000  -0.00019   0.00002  -0.00017  -0.00549
   D448       2.41881   0.00000  -0.00066  -0.00002  -0.00068   2.41812
   D449      -1.78063   0.00000  -0.00068  -0.00001  -0.00069  -1.78132
   D450       0.32681   0.00000  -0.00069  -0.00002  -0.00071   0.32611
   D451      -0.69766   0.00000  -0.00035  -0.00010  -0.00044  -0.69810
   D452       1.38609   0.00000  -0.00036  -0.00009  -0.00045   1.38564
   D453      -2.78965   0.00000  -0.00037  -0.00009  -0.00047  -2.79012
   D454       2.05433   0.00000   0.00000  -0.00018  -0.00019   2.05414
   D455      -2.14474   0.00000   0.00002  -0.00017  -0.00015  -2.14489
   D456      -0.05151   0.00000   0.00004  -0.00019  -0.00016  -0.05166
   D457      -1.11235   0.00000  -0.00032  -0.00011  -0.00043  -1.11277
   D458       0.97177   0.00000  -0.00030  -0.00009  -0.00039   0.97138
   D459       3.06500   0.00000  -0.00028  -0.00012  -0.00040   3.06461
   D460      -3.08424   0.00002   0.00018   0.00015   0.00034  -3.08390
   D461      -0.02709   0.00002   0.00059   0.00004   0.00063  -0.02646
   D462       0.07014   0.00001   0.00029   0.00022   0.00051   0.07065
   D463       3.12729   0.00001   0.00070   0.00011   0.00080   3.12809
   D464       1.92978   0.00000   0.00060  -0.00029   0.00031   1.93009
   D465      -2.27042   0.00000   0.00053  -0.00033   0.00020  -2.27022
   D466      -0.17782   0.00001   0.00064  -0.00029   0.00035  -0.17747
   D467      -1.13070   0.00001   0.00021  -0.00018   0.00002  -1.13068
   D468       0.95228   0.00000   0.00013  -0.00022  -0.00008   0.95220
   D469       3.04488   0.00001   0.00025  -0.00018   0.00007   3.04495
   D470      -1.63340   0.00000   0.00011   0.00037   0.00048  -1.63292
   D471       0.47107   0.00000   0.00020   0.00036   0.00056   0.47163
   D472       2.56206   0.00000   0.00003   0.00036   0.00039   2.56245
   D473       1.42747   0.00000   0.00051   0.00026   0.00077   1.42824
   D474      -2.75124  -0.00001   0.00060   0.00025   0.00085  -2.75039
   D475      -0.66025   0.00000   0.00042   0.00025   0.00068  -0.65957
   D476       0.00354   0.00000   0.00009  -0.00003   0.00006   0.00359
   D477      -3.04550   0.00000   0.00008  -0.00007   0.00001  -3.04549
   D478       3.11670   0.00000  -0.00001   0.00002   0.00001   3.11671
   D479       0.06766   0.00000  -0.00001  -0.00002  -0.00003   0.06763
   D480      -0.30680   0.00000  -0.00024  -0.00040  -0.00063  -0.30743
   D481       1.80139   0.00000  -0.00037  -0.00039  -0.00076   1.80063
   D482      -2.39806   0.00000  -0.00020  -0.00041  -0.00060  -2.39866
   D483       2.74693   0.00000  -0.00024  -0.00036  -0.00060   2.74633
   D484      -1.42807   0.00000  -0.00037  -0.00036  -0.00072  -1.42879
   D485       0.65567   0.00000  -0.00020  -0.00037  -0.00057   0.65510
   D486      -0.09172   0.00000   0.00045   0.00023   0.00069  -0.09103
   D487       2.00397   0.00000   0.00039   0.00019   0.00057   2.00454
   D488      -2.19521   0.00000   0.00044   0.00020   0.00063  -2.19458
   D489       3.13767   0.00001   0.00045   0.00020   0.00066   3.13832
   D490      -1.04983   0.00000   0.00039   0.00016   0.00054  -1.04928
   D491       1.03418   0.00000   0.00044   0.00016   0.00060   1.03478
         Item               Value     Threshold  Converged?
 Maximum Force            0.000023     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.003624     0.001800     NO 
 RMS     Displacement     0.000494     0.001200     YES
 Predicted change in Energy=-1.046420D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:24:55 2016, MaxMem=  2952790016 cpu:        10.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.821275   -0.586494    1.668125
      2          6           0       -2.070396    1.118070   -1.367139
      3          8           0       -2.619711    0.137673   -1.899206
      4          7           0       -0.777786    1.166530   -0.944596
      5          1           0       -2.619566    2.058586   -1.160784
      6          6           0       -0.239411    2.336968   -0.250879
      7          1           0       -0.996424    3.133121   -0.226963
      8          1           0        0.039267    2.064855    0.780010
      9          1           0        0.658063    2.702413   -0.776200
     10          6           0        0.133322    0.031956   -1.113392
     11          1           0        0.700016   -0.116974   -0.180956
     12          1           0       -0.447954   -0.872083   -1.337290
     13          1           0        0.844518    0.227031   -1.932989
     14          6           0       -2.011334   -3.995287    2.628004
     15          8           0       -2.136538   -3.840328    3.854829
     16          7           0       -2.948361   -3.684741    1.691200
     17          1           0       -1.080822   -4.395249    2.178289
     18          6           0       -4.247301   -3.115318    2.058192
     19          1           0       -4.503938   -2.319574    1.340822
     20          1           0       -5.033698   -3.887805    2.024951
     21          1           0       -4.188669   -2.695157    3.070384
     22          6           0       -2.696263   -3.872473    0.262118
     23          1           0       -3.404547   -4.605348   -0.158059
     24          1           0       -2.829846   -2.913827   -0.265782
     25          1           0       -1.667642   -4.228886    0.111997
     26          6           0        1.567429    0.372612    2.607086
     27          8           0        1.404224    1.391931    3.298879
     28          7           0        1.180846   -0.885953    2.951812
     29          1           0        2.048120    0.409351    1.609601
     30          6           0        1.478909   -2.039968    2.102739
     31          1           0        2.227289   -2.689757    2.586837
     32          1           0        0.561727   -2.628438    1.939965
     33          1           0        1.863554   -1.694018    1.133544
     34          6           0        0.539163   -1.155939    4.241052
     35          1           0        1.286767   -1.457419    4.994547
     36          1           0        0.020392   -0.251621    4.583910
     37          1           0       -0.185842   -1.972918    4.115204
     38          6           0       -4.608510    1.091038    2.906877
     39          8           0       -4.855396    1.667709    1.833773
     40          7           0       -3.538925    1.342800    3.710078
     41          1           0       -5.249259    0.274799    3.297050
     42          6           0       -2.542141    2.362052    3.370455
     43          1           0       -2.621662    2.612618    2.304563
     44          1           0       -2.695875    3.271272    3.974809
     45          1           0       -1.537670    1.964500    3.581141
     46          6           0       -3.262098    0.533995    4.897581
     47          1           0       -4.075003   -0.188507    5.052877
     48          1           0       -2.311749   -0.010333    4.762987
     49          1           0       -3.173226    1.182663    5.783845
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490047   0.000000
     3  O    3.726630   1.243391   0.000000
     4  N    3.314856   1.360783   2.315710   0.000000
     5  H    3.954294   1.108486   2.057954   2.057827   0.000000
     6  C    3.838164   2.466628   3.635892   1.463221   2.563310
     7  H    4.255263   2.552223   3.795282   2.104823   2.158989
     8  H    3.358573   3.155523   4.238207   2.109225   3.291825
     9  H    4.789441   3.209959   4.310782   2.109255   3.362331
    10  C    3.455396   2.469899   2.864938   1.464878   3.418752
    11  H    3.161717   3.256922   3.746707   2.101053   4.088122
    12  H    3.316638   2.567862   2.460058   2.102127   3.651832
    13  H    4.553713   3.100139   3.465546   2.119304   3.993842
    14  C    3.546458   6.489305   6.160123   6.397614   7.167583
    15  O    3.933002   7.201322   7.011909   7.067483   7.758021
    16  N    3.296967   5.761185   5.254510   5.932423   6.420882
    17  H    3.913458   6.629179   6.288206   6.385736   7.427593
    18  C    3.526005   5.864587   5.375128   6.276025   6.307187
    19  H    3.210510   5.007253   4.481758   5.591088   5.383046
    20  H    4.620135   6.733961   6.118073   7.244122   7.164951
    21  H    3.466604   6.222491   5.931558   6.531983   6.554612
    22  C    3.679690   5.286938   4.556144   5.525238   6.099836
    23  H    4.689658   5.999946   5.113102   6.390077   6.784517
    24  H    3.189623   4.248052   3.467547   4.617472   5.056693
    25  H    3.963856   5.562373   4.900837   5.569447   6.485247
    26  C    3.644838   5.439112   6.155811   4.329524   5.879649
    27  O    4.120360   5.824063   6.692182   4.776929   6.043501
    28  N    3.278758   5.765415   6.246952   4.819846   6.326680
    29  H    3.995916   5.130832   5.845869   3.883682   5.672944
    30  C    3.632175   5.883097   6.128326   4.965940   6.651784
    31  H    4.653882   6.971626   7.184174   6.030957   7.751350
    32  H    3.149942   5.648127   5.701943   4.951441   6.457822
    33  H    3.884630   5.444008   5.714222   4.413398   6.280474
    34  C    3.537781   6.590351   7.025290   5.832595   7.034954
    35  H    4.635031   7.640336   8.082618   6.813288   8.093813
    36  H    3.464921   6.454644   7.010884   5.763039   6.731117
    37  H    3.253461   6.569767   6.822862   5.983987   7.071922
    38  C    3.480991   4.970912   5.287973   5.432677   4.630110
    39  O    3.783485   4.278337   4.612421   4.959578   3.757538
    40  N    3.292730   5.290106   5.810452   5.414882   5.008280
    41  H    3.891824   5.707096   5.825324   6.227424   5.474438
    42  C    3.480158   4.920857   5.720420   4.812679   4.542049
    43  H    3.358569   4.002370   4.878220   4.006006   3.509356
    44  H    4.579090   5.793437   6.658025   5.684149   5.277380
    45  H    3.201192   5.048338   5.877271   4.657948   4.864690
    46  C    3.709562   6.403750   6.838571   6.379885   6.280208
    47  H    4.085858   6.851438   7.110255   6.976922   6.765893
    48  H    3.186016   6.237788   6.670949   6.026156   6.282216
    49  H    4.679406   7.235813   7.773523   7.142150   7.021514
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098862   0.000000
     8  H    1.102016   1.796620   0.000000
     9  H    1.102258   1.795689   1.791976   0.000000
    10  C    2.489165   3.417500   2.779658   2.742333   0.000000
    11  H    2.628544   3.666488   2.473948   2.881842   1.101253
    12  H    3.394376   4.192290   3.653210   3.783532   1.097860
    13  H    2.907960   3.839915   3.374372   2.738693   1.102540
    14  C    7.178101   7.745648   6.659232   7.973297   5.900532
    15  O    7.656039   8.160262   7.004273   8.489034   6.695526
    16  N    6.882664   7.346607   6.543244   7.738869   5.583577
    17  H    7.206357   7.903715   6.703934   7.882229   5.648845
    18  C    7.149994   7.404939   6.844166   8.120491   6.257326
    19  H    6.511765   6.670269   6.338647   7.506557   5.749525
    20  H    8.180000   8.406194   7.919534   9.147326   7.204986
    21  H    7.207615   7.418338   6.766016   8.211016   6.604599
    22  C    6.697496   7.225441   6.557683   7.453773   5.014294
    23  H    7.630364   8.104795   7.565147   8.383929   5.910479
    24  H    5.855034   6.318902   5.840614   6.630851   4.263384
    25  H    6.729187   7.400308   6.555223   7.364828   4.785375
    26  C    3.910413   4.714402   2.921844   4.207320   4.001833
    27  O    4.024353   4.607213   2.942896   4.345157   4.788826
    28  N    4.760418   5.567591   3.837603   5.200744   4.297179
    29  H    3.522768   4.478966   2.732106   3.589211   3.350160
    30  C    5.258300   6.189963   4.546621   5.608231   4.055487
    31  H    6.277357   7.226043   5.537003   6.545837   5.048179
    32  H    5.486062   6.349722   4.862660   5.983711   4.072372
    33  H    4.752678   5.773364   4.193106   4.942564   3.319852
    34  C    5.743173   6.381005   4.754180   6.330390   5.499625
    35  H    6.651397   7.317798   5.632494   7.141497   6.391838
    36  H    5.490308   5.969497   4.453771   6.153350   5.705473
    37  H    6.135200   6.751525   5.241928   6.818851   5.608886
    38  C    5.532882   5.199829   5.203241   6.625585   6.306281
    39  O    5.108914   4.613646   5.022537   6.187149   6.020696
    40  N    5.250176   5.016957   4.680825   6.292055   6.202385
    41  H    6.476026   6.218945   6.124402   7.575034   6.962984
    42  C    4.291532   3.990639   3.669114   5.248990   5.717721
    43  H    3.504481   3.053022   3.115261   4.500640   5.092364
    44  H    4.976302   4.534546   4.375293   5.843337   6.662380
    45  H    4.063077   4.019985   3.216076   4.934794   5.344678
    46  C    6.236505   6.176543   5.495174   7.229211   6.921901
    47  H    7.015670   6.956118   6.345255   8.045960   7.468700
    48  H    5.911283   6.042432   5.069299   6.845537   6.364903
    49  H    6.808641   6.683754   6.011385   7.747426   7.734938
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795865   0.000000
    13  H    1.791324   1.798164   0.000000
    14  C    5.502998   5.284138   6.840067   0.000000
    15  O    6.180370   6.214491   7.676519   1.242895   0.000000
    16  N    5.435493   4.830614   6.543901   1.360905   2.316151
    17  H    5.200102   5.017222   6.478813   1.108181   2.057489
    18  C    6.203209   5.567445   7.281995   2.469531   2.865112
    19  H    5.852213   5.071343   6.768236   3.267709   3.773262
    20  H    7.208375   6.436482   8.194547   3.083814   3.426988
    21  H    6.412291   6.061695   7.675018   2.574262   2.477501
    22  C    5.082795   4.076192   5.844789   2.466096   3.636193
    23  H    6.082225   4.906047   6.675090   3.174172   4.277426
    24  H    4.504388   3.315156   5.113269   3.195860   4.280014
    25  H    4.753888   3.854374   5.508912   2.550096   3.792049
    26  C    2.960621   4.600992   4.599573   5.646815   5.746747
    27  O    3.857713   5.481822   5.389128   6.413908   6.342130
    28  N    3.261405   4.587981   5.021268   4.467977   4.533079
    29  H    2.302281   4.068983   3.745910   6.075948   6.372769
    30  C    3.085425   4.112245   4.672135   4.034969   4.402565
    31  H    4.075838   5.085237   5.554146   4.435315   4.687708
    32  H    3.290119   3.852874   4.820109   2.993713   3.523637
    33  H    2.359831   3.481906   3.759321   4.748052   5.292709
    34  C    4.545270   5.672114   6.334401   4.143532   3.809789
    35  H    5.378373   6.591208   7.143088   4.787355   4.323914
    36  H    4.814973   5.972012   6.586218   4.687058   4.250027
    37  H    4.763010   5.568683   6.517826   3.103894   2.712974
    38  C    6.258949   6.259155   7.342093   5.717848   5.597109
    39  O    6.173073   5.994308   6.982340   6.386627   6.466477
    40  N    5.936304   6.319473   7.232132   5.656818   5.371449
    41  H    6.902455   6.770892   8.030549   5.400501   5.189838
    42  C    5.410145   6.083429   6.644870   6.422519   6.234473
    43  H    4.966087   5.489193   5.971790   6.643909   6.654261
    44  H    6.346863   7.102037   7.530197   7.421951   7.134571
    45  H    4.846973   5.781405   6.252940   6.054080   5.842052
    46  C    6.474075   6.983557   7.975915   5.218216   4.635614
    47  H    7.085121   7.379498   8.554338   4.962893   4.304505
    48  H    5.790050   6.436593   7.406380   4.530811   3.940090
    49  H    7.229793   7.896813   8.752430   6.174179   5.479623
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056643   0.000000
    18  C    1.464982   3.417490   0.000000
    19  H    2.099110   4.089926   1.101676   0.000000
    20  H    2.121617   3.988263   1.102843   1.791097   0.000000
    21  H    2.102330   3.653062   1.097501   1.797733   1.797057
    22  C    1.463240   2.560206   2.490960   2.615872   2.927699
    23  H    2.115510   3.301872   2.800392   2.946196   2.816831
    24  H    2.106688   3.350699   2.729584   2.395182   3.324614
    25  H    2.104808   2.154437   3.417945   3.633188   3.886652
    26  C    6.139488   5.470795   6.802795   6.761123   7.878129
    27  O    6.877661   6.397080   7.334462   7.246767   8.422906
    28  N    5.145163   4.246014   5.935773   6.080076   6.963529
    29  H    6.460114   5.761759   7.228890   7.102727   8.293987
    30  C    4.740819   3.479265   5.826478   6.037645   6.770126
    31  H    5.345981   3.744224   6.510060   6.855582   7.380580
    32  H    3.674014   2.424127   4.835058   5.110316   5.736028
    33  H    5.237221   4.130072   6.341736   6.401503   7.292420
    34  C    5.005938   4.168031   5.613759   5.932812   6.590219
    35  H    5.814583   4.708252   6.480488   6.901107   7.394157
    36  H    5.382154   4.916233   5.726536   5.938317   6.731562
    37  H    4.054337   3.228052   4.693807   5.144251   5.615840
    38  C    5.200195   6.563137   4.306294   3.754429   5.074195
    39  O    5.683821   7.150214   4.826747   4.032982   5.561661
    40  N    5.449844   6.427586   4.806802   4.467394   5.695018
    41  H    4.852921   6.358997   3.745876   3.333632   4.357978
    42  C    6.288769   7.015542   5.884827   5.466780   6.861411
    43  H    6.335588   7.176374   5.959250   5.366403   6.939136
    44  H    7.325621   8.038123   6.846084   6.439296   7.779443
    45  H    6.121752   6.528638   5.955336   5.671954   6.992382
    46  C    5.308205   6.037380   4.727604   4.726051   5.562633
    47  H    4.979342   5.909743   4.190949   4.301719   4.875678
    48  H    4.831400   5.236729   4.550078   4.674344   5.471803
    49  H    6.363327   6.963569   5.788504   5.811791   6.580296
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391122   0.000000
    23  H    3.832301   1.102416   0.000000
    24  H    3.608909   1.102508   1.789729   0.000000
    25  H    4.178511   1.098921   1.797635   1.795220   0.000000
    26  C    6.538999   6.457452   7.559541   6.195973   6.153449
    27  O    6.930869   7.331429   8.428645   7.012397   7.154450
    28  N    5.667359   5.584418   6.673157   5.527281   5.230070
    29  H    7.118244   6.531378   7.615997   6.193152   6.128862
    30  C    5.786800   4.917116   5.961588   4.993886   4.319167
    31  H    6.434156   5.571759   6.551452   5.810530   4.864590
    32  H    4.883499   3.870052   4.903184   4.055804   3.297422
    33  H    6.432964   5.128058   6.156051   5.047183   4.465250
    34  C    5.108038   5.803401   6.841305   5.895079   5.600187
    35  H    5.934205   6.640248   7.646387   6.836570   6.344199
    36  H    5.096844   6.258488   7.291874   6.223401   6.218207
    37  H    4.199512   4.975620   5.962426   5.202798   4.828125
    38  C    3.812909   5.940360   6.579679   5.410024   6.690414
    39  O    4.583484   6.150249   6.739703   5.431524   6.920702
    40  N    4.139622   6.308533   7.096550   5.867634   6.891413
    41  H    3.161782   5.738333   6.257522   5.358607   6.576908
    42  C    5.326956   6.968129   7.857406   6.414039   7.404239
    43  H    5.586991   6.799526   7.666581   6.098493   7.247322
    44  H    6.216485   8.050911   8.923226   7.500400   8.498879
    45  H    5.385264   6.813847   7.786511   6.345598   7.099992
    46  C    3.824213   6.420642   7.210592   6.223716   6.937517
    47  H    3.197889   6.198702   6.863808   6.104582   6.821462
    48  H    3.687276   5.943214   6.820929   5.829856   6.312113
    49  H    4.840608   7.501425   8.298242   7.314174   7.982575
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242668   0.000000
    28  N    1.360981   2.314975   0.000000
    29  H    1.107877   2.057601   2.057063   0.000000
    30  C    2.466322   3.635142   1.463392   2.562490   0.000000
    31  H    3.132719   4.224289   2.117064   3.254469   1.103018
    32  H    3.234623   4.326639   2.107936   3.398038   1.101823
    33  H    2.555382   3.797728   2.103605   2.164453   1.098622
    34  C    2.462447   2.850905   1.465193   3.413447   2.497402
    35  H    3.021217   3.317812   2.123808   3.939841   2.956152
    36  H    2.586662   2.503509   2.100661   3.659929   3.388461
    37  H    3.293917   3.810106   2.098287   4.116290   2.612644
    38  C    6.224807   6.033007   6.117773   6.816035   6.892497
    39  O    6.597573   6.434706   6.648866   7.020844   7.344565
    40  N    5.313446   4.960466   5.274329   6.041391   6.261416
    41  H    6.852215   6.746616   6.543148   7.491150   7.214761
    42  C    4.629165   4.064487   4.958370   5.290004   6.095386
    43  H    4.760003   4.322789   5.207494   5.210012   6.204996
    44  H    5.333728   4.560660   5.775639   6.024142   7.010189
    45  H    3.622779   3.010357   3.988918   4.377597   5.226968
    46  C    5.347592   5.006642   5.053911   6.246980   6.075655
    47  H    6.175256   5.966257   5.703056   7.050264   6.555697
    48  H    4.454501   4.233015   4.030544   5.397077   5.056227
    49  H    5.763835   5.212668   5.590843   6.729397   6.751167
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787819   0.000000
    33  H    1.798849   1.793936   0.000000
    34  C    2.817587   2.731989   3.420548   0.000000
    35  H    2.863618   3.350736   3.911010   1.103428   0.000000
    36  H    3.847493   3.596213   4.169266   1.097482   1.796184
    37  H    2.944990   2.391700   3.628788   1.099512   1.790966
    38  C    7.818246   6.442109   7.265594   5.772995   6.753316
    39  O    8.349793   6.914722   7.545583   6.547462   7.581760
    40  N    7.125476   5.976569   6.711749   4.812114   5.725241
    41  H    8.074142   6.636115   7.690846   6.036885   6.971492
    42  C    6.991587   6.048577   6.392623   4.756957   5.646819
    43  H    7.190771   6.142928   6.327366   5.286098   6.251162
    44  H    7.854800   7.039825   7.315414   5.489677   6.265925
    45  H    6.068416   5.309991   5.562716   3.806029   4.656682
    46  C    6.772406   5.776687   6.738273   4.211472   4.966619
    47  H    7.215018   6.094485   7.272839   4.783881   5.510183
    48  H    5.702439   4.804247   5.782803   3.116493   3.885485
    49  H    7.374419   6.576456   7.434363   4.650925   5.242572
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795851   0.000000
    38  C    5.103127   5.514333   0.000000
    39  O    5.917803   6.345378   1.243002   0.000000
    40  N    3.996811   4.732999   1.361076   2.314991   0.000000
    41  H    5.449986   5.599982   1.108621   2.058277   2.058266
    42  C    3.856207   4.989866   2.469871   2.862631   1.465537
    43  H    4.514392   5.498980   2.574015   2.470641   2.104586
    44  H    4.489976   5.815626   3.090642   3.437874   2.121277
    45  H    2.888649   4.197132   3.263069   3.761474   2.099561
    46  C    3.389738   4.044759   2.466987   3.634670   1.463203
    47  H    4.122642   4.380517   2.554835   3.796996   2.106037
    48  H    2.351419   2.964935   3.151709   4.226850   2.108447
    49  H    3.700839   4.654731   3.216424   4.320653   2.111845
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419138   0.000000
    43  H    3.654408   1.097831   0.000000
    44  H    3.994743   1.102524   1.796957   0.000000
    45  H    4.087993   1.100635   1.795758   1.789990   0.000000
    46  C    2.564701   2.488422   3.384461   2.943603   2.598655
    47  H    2.162512   3.418416   4.184702   3.877408   3.638613
    48  H    3.295335   2.760515   3.608292   3.396721   2.428152
    49  H    3.364265   2.759290   3.801895   2.804062   2.852756
                   46         47         48         49
    46  C    0.000000
    47  H    1.098608   0.000000
    48  H    1.103436   1.795786   0.000000
    49  H    1.101877   1.796559   1.790959   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144186      0.1946726      0.1845903
 Leave Link  202 at Mon Nov 14 04:24:55 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1216091111 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843176735 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9372914376 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4035
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.20D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.40%
 GePol: Cavity surface area                          =    468.105 Ang**2
 GePol: Cavity volume                                =    458.409 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040197786 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9332716590 Hartrees.
 Leave Link  301 at Mon Nov 14 04:24:55 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:24:56 2016, MaxMem=  2952790016 cpu:        14.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:24:56 2016, MaxMem=  2952790016 cpu:         1.0
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000316   -0.000238   -0.000047
         Rot=    1.000000    0.000008   -0.000012    0.000016 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:24:57 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48843675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   2732.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.15D-15 for   1853   1008.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.99D-15 for   1810.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.32D-11 for   1682   1681.
 E= -1013.45141451447    
 DIIS: error= 3.31D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141451447     IErMin= 1 ErrMin= 3.31D-05
 ErrMax= 3.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-06 BMatP= 1.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=5.96D-06 MaxDP=1.95D-04              OVMax= 2.91D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.96D-06    CP:  1.00D+00
 E= -1013.45141662726     Delta-E=       -0.000002112795 Rises=F Damp=F
 DIIS: error= 5.42D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141662726     IErMin= 2 ErrMin= 5.42D-06
 ErrMax= 5.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-08 BMatP= 1.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.264D-01 0.974D+00
 Coeff:      0.264D-01 0.974D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.46D-06 MaxDP=9.54D-05 DE=-2.11D-06 OVMax= 1.01D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.42D-06    CP:  1.00D+00  9.46D-01
 E= -1013.45141652239     Delta-E=        0.000000104875 Rises=F Damp=F
 DIIS: error= 1.49D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141662726     IErMin= 2 ErrMin= 5.42D-06
 ErrMax= 1.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-07 BMatP= 2.84D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.292D-02 0.712D+00 0.285D+00
 Coeff:      0.292D-02 0.712D+00 0.285D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.08D-06 MaxDP=7.85D-05 DE= 1.05D-07 OVMax= 9.18D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.36D-07    CP:  1.00D+00  9.67D-01  3.07D-01
 E= -1013.45141664879     Delta-E=       -0.000000126401 Rises=F Damp=F
 DIIS: error= 2.19D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141664879     IErMin= 4 ErrMin= 2.19D-06
 ErrMax= 2.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-09 BMatP= 2.84D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.830D-05 0.255D+00 0.163D+00 0.583D+00
 Coeff:      0.830D-05 0.255D+00 0.163D+00 0.583D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.13D-07 MaxDP=1.12D-05 DE=-1.26D-07 OVMax= 1.75D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.06D-07    CP:  1.00D+00  9.71D-01  3.44D-01  5.99D-01
 E= -1013.45141665174     Delta-E=       -0.000000002958 Rises=F Damp=F
 DIIS: error= 1.12D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141665174     IErMin= 5 ErrMin= 1.12D-06
 ErrMax= 1.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-10 BMatP= 3.63D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.755D-05 0.138D+00 0.947D-01 0.386D+00 0.381D+00
 Coeff:     -0.755D-05 0.138D+00 0.947D-01 0.386D+00 0.381D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.29D-08 MaxDP=4.03D-06 DE=-2.96D-09 OVMax= 4.15D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.16D-08    CP:  1.00D+00  9.71D-01  3.41D-01  6.26D-01  6.16D-01
 E= -1013.45141665220     Delta-E=       -0.000000000459 Rises=F Damp=F
 DIIS: error= 9.57D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141665220     IErMin= 6 ErrMin= 9.57D-08
 ErrMax= 9.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-12 BMatP= 4.55D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.143D-04 0.447D-01 0.316D-01 0.134D+00 0.166D+00 0.624D+00
 Coeff:     -0.143D-04 0.447D-01 0.316D-01 0.134D+00 0.166D+00 0.624D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.16D-09 MaxDP=4.33D-07 DE=-4.59D-10 OVMax= 5.98D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141665     A.U. after    6 cycles
            NFock=  6  Conv=0.92D-08     -V/T= 2.0213
 KE= 9.923505706009D+02 PE=-6.029412494128D+03 EE= 2.174677235216D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:26:17 2016, MaxMem=  2952790016 cpu:       896.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 04:26:25 2016, MaxMem=  2952790016 cpu:        97.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:26:25 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:27:02 2016, MaxMem=  2952790016 cpu:       442.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24675806D+00-2.53710060D+00 3.32062523D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000053724   -0.000031309   -0.000051914
      2        6           0.000001774    0.000034019    0.000005997
      3        8           0.000024795    0.000022720    0.000010299
      4        7          -0.000008758    0.000023996    0.000031160
      5        1           0.000018048    0.000024325   -0.000003288
      6        6           0.000003732    0.000037332    0.000051249
      7        1           0.000003218    0.000013989    0.000028081
      8        1           0.000011881    0.000001830    0.000047352
      9        1           0.000012701    0.000018867    0.000033976
     10        6           0.000023649    0.000018494    0.000022673
     11        1           0.000013966    0.000023383    0.000016555
     12        1           0.000024651    0.000024802    0.000002575
     13        1           0.000018780    0.000036701    0.000018353
     14        6          -0.000012166   -0.000005656   -0.000029697
     15        8          -0.000005562   -0.000013089   -0.000031448
     16        7          -0.000002268    0.000008737   -0.000033084
     17        1           0.000003851   -0.000007720   -0.000025356
     18        6           0.000004748   -0.000010852   -0.000036464
     19        1           0.000004138   -0.000002375   -0.000022762
     20        1           0.000005567   -0.000008581   -0.000047348
     21        1          -0.000002344   -0.000011286   -0.000033104
     22        6           0.000013394    0.000005834   -0.000030005
     23        1           0.000019805    0.000011536   -0.000040296
     24        1           0.000021041    0.000009227   -0.000022767
     25        1           0.000018228    0.000013342   -0.000028852
     26        6          -0.000032667    0.000005649    0.000034439
     27        8           0.000013518   -0.000009001    0.000033926
     28        7          -0.000023825    0.000010912    0.000006051
     29        1          -0.000001348    0.000009721    0.000028153
     30        6           0.000011943    0.000027838    0.000011316
     31        1          -0.000007353   -0.000013555    0.000001330
     32        1          -0.000005807   -0.000004402   -0.000007140
     33        1           0.000009600    0.000012247    0.000014562
     34        6          -0.000026603   -0.000001929   -0.000005634
     35        1          -0.000016793   -0.000019896    0.000013307
     36        1          -0.000003514   -0.000018782    0.000027259
     37        1          -0.000012118   -0.000012972   -0.000001915
     38        6          -0.000007242   -0.000024121   -0.000022060
     39        8          -0.000004751   -0.000005617    0.000001456
     40        7          -0.000021147   -0.000013579   -0.000010768
     41        1          -0.000012112   -0.000013364   -0.000011290
     42        6           0.000027285    0.000018174   -0.000027128
     43        1          -0.000007611    0.000000726    0.000019408
     44        1          -0.000047636   -0.000036454    0.000047209
     45        1          -0.000019226   -0.000019515    0.000022276
     46        6          -0.000021315   -0.000033926    0.000017204
     47        1          -0.000019880   -0.000031216   -0.000018126
     48        1          -0.000015175   -0.000033017   -0.000005644
     49        1          -0.000026816   -0.000032187   -0.000000077
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000053724 RMS     0.000021868
 Leave Link  716 at Mon Nov 14 04:27:02 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000019701 RMS     0.000002486
 Search for a local minimum.
 Step number  97 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .24859D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   78   79
                                                     80   81   82   83   84
                                                     85   86   87   88   89
                                                     90   91   92   93   94
                                                     95   96   97
 DE= -1.71D-07 DEPred=-1.05D-07 R= 1.63D+00
 Trust test= 1.63D+00 RLast= 1.32D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0
 ITU=  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0
 ITU=  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00006   0.00049   0.00067   0.00089   0.00125
     Eigenvalues ---    0.00133   0.00161   0.00202   0.00223   0.00238
     Eigenvalues ---    0.00294   0.00356   0.00420   0.00448   0.00582
     Eigenvalues ---    0.00623   0.00730   0.00772   0.00805   0.00832
     Eigenvalues ---    0.00873   0.00960   0.01047   0.01137   0.01201
     Eigenvalues ---    0.01230   0.01299   0.01320   0.01488   0.01516
     Eigenvalues ---    0.01580   0.01675   0.01721   0.01744   0.01814
     Eigenvalues ---    0.01821   0.01875   0.01921   0.02053   0.02115
     Eigenvalues ---    0.02213   0.02290   0.02386   0.02440   0.02556
     Eigenvalues ---    0.02889   0.02977   0.03092   0.03486   0.03596
     Eigenvalues ---    0.04350   0.04395   0.04909   0.05397   0.05605
     Eigenvalues ---    0.05828   0.05956   0.06168   0.06307   0.06406
     Eigenvalues ---    0.06541   0.06936   0.07286   0.07449   0.07518
     Eigenvalues ---    0.07670   0.08014   0.08109   0.08120   0.08310
     Eigenvalues ---    0.08432   0.08690   0.08910   0.09068   0.09360
     Eigenvalues ---    0.09384   0.09735   0.09819   0.09915   0.09986
     Eigenvalues ---    0.10098   0.10391   0.10479   0.10824   0.10876
     Eigenvalues ---    0.11220   0.11331   0.11542   0.11654   0.13339
     Eigenvalues ---    0.13498   0.14166   0.14725   0.15127   0.15176
     Eigenvalues ---    0.15483   0.15835   0.20452   0.22813   0.23026
     Eigenvalues ---    0.23473   0.24685   0.24903   0.25814   0.26387
     Eigenvalues ---    0.26863   0.27290   0.28340   0.29255   0.29641
     Eigenvalues ---    0.29798   0.30675   0.32807   0.32823   0.32833
     Eigenvalues ---    0.32942   0.33304   0.33340   0.33361   0.33375
     Eigenvalues ---    0.33394   0.33422   0.33517   0.33542   0.33697
     Eigenvalues ---    0.33798   0.33821   0.33840   0.33924   0.33958
     Eigenvalues ---    0.34045   0.34211   0.34267   0.37280   0.38840
     Eigenvalues ---    0.39982   0.40821   0.85955   0.86125   0.86467
     Eigenvalues ---    0.89059
 Eigenvalue     1 is   6.42D-05 Eigenvector:
                         D399      D381      D397      D383      D385
   1                   -0.23551  -0.22918  -0.22228  -0.21825  -0.21743
                         D387      D395      D407      D405      D403
   1                   -0.21576  -0.21463  -0.21412  -0.21404  -0.21298
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    97   96   95   94   93
 RFO step:  Lambda=-1.76681567D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.34D-07 SmlDif=  1.00D-05
 RMS Error=  0.1335919950D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.26941   -1.62961   -0.21621    0.77083   -0.19443
 Iteration  1 RMS(Cart)=  0.00048700 RMS(Int)=  0.00000127
 Iteration  2 RMS(Cart)=  0.00000100 RMS(Int)=  0.00000010
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000010
 ITry= 1 IFail=0 DXMaxC= 3.77D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59523   0.00000   0.00003  -0.00003   0.00000   6.59524
    R2        6.26417  -0.00001  -0.00029  -0.00023  -0.00052   6.26365
    R3        7.25308   0.00000  -0.00035  -0.00016  -0.00052   7.25256
    R4        6.34678  -0.00001  -0.00036   0.00002  -0.00034   6.34645
    R5        6.52975  -0.00001  -0.00037  -0.00009  -0.00046   6.52930
    R6        5.97478   0.00000  -0.00071   0.00004  -0.00068   5.97410
    R7        6.70183   0.00000  -0.00026  -0.00006  -0.00032   6.70151
    R8        6.23036   0.00000  -0.00039  -0.00001  -0.00040   6.22997
    R9        6.66318   0.00000  -0.00062   0.00012  -0.00051   6.66268
   R10        6.06699   0.00000  -0.00107  -0.00009  -0.00116   6.06583
   R11        6.95361   0.00000  -0.00030   0.00000  -0.00030   6.95331
   R12        6.02751   0.00000  -0.00003   0.00001  -0.00002   6.02749
   R13        6.88775   0.00001   0.00005  -0.00019  -0.00015   6.88760
   R14        6.19595  -0.00001  -0.00022  -0.00017  -0.00039   6.19557
   R15        6.86382  -0.00001  -0.00091  -0.00022  -0.00112   6.86269
   R16        5.95253  -0.00001  -0.00108  -0.00020  -0.00128   5.95125
   R17        6.68544   0.00000   0.00030   0.00010   0.00040   6.68584
   R18        6.57812   0.00000  -0.00051   0.00002  -0.00049   6.57763
   R19        6.22236   0.00000  -0.00044   0.00002  -0.00042   6.22194
   R20        6.57654   0.00000  -0.00032   0.00004  -0.00027   6.57627
   R21        6.04938   0.00000   0.00047   0.00013   0.00061   6.04999
   R22        7.01006   0.00000  -0.00050  -0.00020  -0.00070   7.00936
   R23        6.02070   0.00000  -0.00026  -0.00003  -0.00029   6.02040
   R24        2.34967   0.00000   0.00000  -0.00001   0.00000   2.34967
   R25        2.57151   0.00000   0.00000  -0.00001  -0.00001   2.57149
   R26        2.09473   0.00000   0.00000   0.00000   0.00000   2.09474
   R27        2.76509   0.00001   0.00005  -0.00003   0.00003   2.76511
   R28        2.76822   0.00001   0.00004  -0.00002   0.00002   2.76824
   R29        2.07655   0.00000   0.00000   0.00000   0.00000   2.07655
   R30        2.08251   0.00001  -0.00004   0.00004   0.00000   2.08251
   R31        2.08297   0.00000  -0.00001   0.00001   0.00000   2.08297
   R32        2.08107   0.00000   0.00000  -0.00001   0.00000   2.08106
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07465
   R34        2.08350   0.00000   0.00000   0.00000   0.00000   2.08349
   R35        2.34873   0.00000   0.00000   0.00000   0.00000   2.34873
   R36        2.57174   0.00000   0.00004  -0.00001   0.00003   2.57176
   R37        2.09416   0.00000   0.00000   0.00000   0.00000   2.09416
   R38        2.76841  -0.00001   0.00006  -0.00002   0.00004   2.76845
   R39        2.76512   0.00000   0.00006  -0.00001   0.00005   2.76517
   R40        2.08187   0.00000   0.00001   0.00000   0.00001   2.08188
   R41        2.08407   0.00000  -0.00001   0.00000   0.00000   2.08407
   R42        2.07398   0.00000  -0.00002   0.00000  -0.00001   2.07396
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08344   0.00000  -0.00001   0.00002   0.00001   2.08345
   R45        2.07666   0.00000   0.00000   0.00000   0.00000   2.07666
   R46        2.34830  -0.00001  -0.00001   0.00000  -0.00001   2.34829
   R47        2.57188   0.00000   0.00001  -0.00002  -0.00001   2.57187
   R48        2.09358   0.00000   0.00001   0.00000   0.00001   2.09359
   R49        2.76541   0.00001   0.00004   0.00000   0.00004   2.76545
   R50        2.76881   0.00000  -0.00001   0.00000  -0.00001   2.76881
   R51        2.08440   0.00000   0.00000   0.00001   0.00000   2.08440
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   A46        2.35262   0.00000  -0.00034  -0.00009  -0.00043   2.35219
   A47        2.19833   0.00000   0.00022   0.00016   0.00038   2.19870
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   A49        1.09864   0.00000   0.00015   0.00004   0.00018   1.09883
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   A218       1.48954   0.00000   0.00019   0.00014   0.00033   1.48987
   A219       1.19667   0.00000   0.00014   0.00013   0.00027   1.19695
   A220       1.23939   0.00000   0.00011   0.00011   0.00022   1.23961
   A221       0.95863   0.00000   0.00005   0.00008   0.00013   0.95876
   A222       0.72542   0.00000   0.00004  -0.00001   0.00003   0.72545
   A223       1.01719   0.00000   0.00005  -0.00002   0.00003   1.01723
   A224       0.69763   0.00000   0.00006   0.00001   0.00008   0.69771
   A225       0.98112   0.00000   0.00010   0.00003   0.00013   0.98125
   A226       0.65787   0.00000   0.00000  -0.00002  -0.00001   0.65786
   A227       0.66217   0.00000   0.00004   0.00000   0.00004   0.66221
   A228       0.70407   0.00000   0.00007   0.00000   0.00008   0.70415
   A229       0.84963   0.00000   0.00003  -0.00007  -0.00004   0.84959
   A230       0.75752   0.00000   0.00002  -0.00002   0.00000   0.75751
   A231       0.77992   0.00000  -0.00007  -0.00011  -0.00018   0.77974
   A232       1.58938  -0.00001   0.00001   0.00002   0.00003   1.58941
   A233       1.86279   0.00001   0.00022  -0.00002   0.00020   1.86299
   A234       2.19027   0.00000   0.00001  -0.00001   0.00000   2.19027
   A235       2.12916   0.00000   0.00000   0.00000  -0.00001   2.12915
   A236       1.96339   0.00000   0.00000   0.00001   0.00001   1.96339
   A237       2.12375   0.00001  -0.00002   0.00003   0.00001   2.12377
   A238       2.12639   0.00000   0.00003   0.00000   0.00003   2.12642
   A239       2.03233  -0.00001  -0.00001  -0.00002  -0.00004   2.03230
   A240       1.83076   0.00000  -0.00014  -0.00019  -0.00033   1.83043
   A241       2.54345   0.00000   0.00010   0.00020   0.00030   2.54375
   A242       1.91388   0.00000  -0.00001  -0.00001  -0.00002   1.91386
   A243       1.91668   0.00000  -0.00004  -0.00004  -0.00008   1.91660
   A244       1.91647   0.00000  -0.00003   0.00004   0.00001   1.91649
   A245       1.91002   0.00000  -0.00003   0.00005   0.00002   1.91004
   A246       1.90824   0.00000   0.00005  -0.00001   0.00004   1.90828
   A247       1.89842   0.00000   0.00006  -0.00003   0.00003   1.89845
   A248       1.28417   0.00000   0.00015   0.00005   0.00020   1.28438
   A249       1.90417   0.00000  -0.00002   0.00003   0.00001   1.90418
   A250       1.90919   0.00000  -0.00001   0.00002   0.00001   1.90920
   A251       1.92818   0.00000  -0.00001  -0.00005  -0.00006   1.92812
   A252       1.91110   0.00000   0.00001   0.00001   0.00002   1.91112
   A253       1.89801   0.00000   0.00001   0.00000   0.00001   1.89802
   A254       1.91306   0.00000   0.00002   0.00000   0.00002   1.91308
   A255       1.72412   0.00000  -0.00004  -0.00002  -0.00007   1.72405
   A256       1.76407   0.00000   0.00011   0.00001   0.00013   1.76420
   A257       2.19156   0.00000   0.00003   0.00000   0.00003   2.19159
   A258       2.12957   0.00000  -0.00002   0.00001  -0.00001   2.12956
   A259       1.96184   0.00000  -0.00001   0.00000  -0.00001   1.96182
   A260       2.12556   0.00000  -0.00003   0.00001  -0.00003   2.12554
   A261       2.12280   0.00000  -0.00003  -0.00001  -0.00004   2.12276
   A262       2.03453   0.00000   0.00006   0.00000   0.00007   2.03460
   A263       1.35994   0.00000   0.00019   0.00017   0.00036   1.36030
   A264       1.90094   0.00000   0.00007   0.00002   0.00009   1.90103
   A265       1.93097   0.00000  -0.00001  -0.00002  -0.00003   1.93094
   A266       1.90972   0.00000  -0.00005   0.00000  -0.00005   1.90967
   A267       1.89674   0.00000  -0.00001   0.00000  -0.00002   1.89672
   A268       1.91396   0.00000  -0.00003   0.00001  -0.00002   1.91394
   A269       1.91139   0.00000   0.00003   0.00000   0.00003   1.91142
   A270       2.67270   0.00000   0.00017   0.00001   0.00018   2.67288
   A271       1.69033   0.00000  -0.00014  -0.00001  -0.00015   1.69018
   A272       1.92500   0.00000  -0.00004   0.00000  -0.00003   1.92497
   A273       1.91262   0.00000   0.00002   0.00000   0.00002   1.91264
   A274       1.91378   0.00000  -0.00002   0.00001  -0.00001   1.91376
   A275       1.89410   0.00000   0.00006   0.00000   0.00006   1.89416
   A276       1.91103   0.00000   0.00000   0.00000   0.00000   1.91103
   A277       1.90711   0.00000  -0.00002  -0.00001  -0.00003   1.90708
   A278       1.81023   0.00002   0.00064   0.00010   0.00074   1.81097
   A279       1.75196   0.00000  -0.00074   0.00001  -0.00074   1.75123
   A280       2.18980   0.00001   0.00003  -0.00001   0.00002   2.18982
   A281       2.13059  -0.00001   0.00000   0.00002   0.00002   2.13061
   A282       1.96272   0.00000  -0.00003  -0.00001  -0.00004   1.96268
   A283       2.12284   0.00000   0.00006  -0.00001   0.00005   2.12289
   A284       2.11493   0.00000   0.00000  -0.00001  -0.00001   2.11491
   A285       2.04252   0.00000  -0.00007   0.00002  -0.00005   2.04247
   A286       2.70152   0.00000  -0.00009   0.00004  -0.00005   2.70148
   A287       1.65745   0.00000   0.00005  -0.00005   0.00000   1.65745
   A288       1.92635   0.00000  -0.00011   0.00004  -0.00007   1.92628
   A289       1.91489   0.00001   0.00007  -0.00001   0.00006   1.91495
   A290       1.91224   0.00000   0.00002  -0.00001   0.00001   1.91225
   A291       1.89124  -0.00001  -0.00007  -0.00002  -0.00009   1.89115
   A292       1.91255   0.00000   0.00001   0.00000   0.00001   1.91256
   A293       1.90636   0.00000   0.00009   0.00000   0.00009   1.90644
   A294       1.34815   0.00001  -0.00004   0.00013   0.00009   1.34824
   A295       1.15536   0.00000   0.00014  -0.00002   0.00012   1.15548
   A296       1.93316   0.00000   0.00003   0.00002   0.00005   1.93321
   A297       1.90717   0.00001   0.00001   0.00000   0.00002   1.90719
   A298       1.90179   0.00000  -0.00003   0.00000  -0.00003   1.90176
   A299       1.90929  -0.00001   0.00001  -0.00002  -0.00001   1.90928
   A300       1.89853   0.00000   0.00003  -0.00001   0.00002   1.89856
   A301       1.91381   0.00001  -0.00006   0.00001  -0.00005   1.91376
   A302       1.64626   0.00000  -0.00005   0.00004  -0.00001   1.64625
   A303       1.80617   0.00000   0.00005  -0.00008  -0.00003   1.80615
   A304       2.18920   0.00000  -0.00003  -0.00004  -0.00007   2.18912
   A305       2.13013   0.00000   0.00003   0.00003   0.00006   2.13019
   A306       1.96350   0.00000   0.00000   0.00001   0.00001   1.96352
   A307       2.12513   0.00000  -0.00007   0.00000  -0.00007   2.12506
   A308       2.12393   0.00000  -0.00002   0.00001  -0.00001   2.12392
   A309       2.03067   0.00000   0.00009  -0.00001   0.00007   2.03074
   A310       1.30099   0.00000  -0.00032  -0.00004  -0.00037   1.30062
   A311       3.04897   0.00000   0.00049   0.00008   0.00056   3.04953
   A312       1.91184   0.00000   0.00001   0.00003   0.00004   1.91187
   A313       1.93015   0.00000   0.00007   0.00003   0.00010   1.93026
   A314       1.90197  -0.00001   0.00000  -0.00001  -0.00002   1.90195
   A315       1.91122   0.00000  -0.00013  -0.00004  -0.00017   1.91105
   A316       1.91176   0.00001   0.00001  -0.00002  -0.00001   1.91176
   A317       1.89674   0.00000   0.00004   0.00001   0.00006   1.89679
   A318       1.78423   0.00000  -0.00041  -0.00033  -0.00075   1.78348
   A319       1.91586   0.00000  -0.00004  -0.00002  -0.00005   1.91581
   A320       1.91413   0.00000  -0.00003  -0.00001  -0.00004   1.91409
   A321       1.92050   0.00000   0.00007   0.00001   0.00007   1.92057
   A322       1.90721   0.00000  -0.00008  -0.00001  -0.00009   1.90712
   A323       1.91043   0.00000   0.00005   0.00002   0.00007   1.91049
   A324       1.89552   0.00000   0.00003   0.00001   0.00004   1.89556
   A325       2.93643   0.00000  -0.00021  -0.00003  -0.00024   2.93619
   A326       3.36584   0.00000   0.00004  -0.00005  -0.00001   3.36583
   A327       3.08413   0.00000  -0.00002  -0.00007  -0.00009   3.08404
   A328       3.19724   0.00000   0.00017   0.00005   0.00022   3.19746
   A329       3.27133   0.00000   0.00022   0.00017   0.00039   3.27172
   A330       3.25744   0.00001  -0.00004   0.00011   0.00008   3.25751
   A331       3.69465   0.00000  -0.00037  -0.00031  -0.00068   3.69398
   A332       3.22249   0.00000   0.00044   0.00015   0.00058   3.22307
   A333       2.97338   0.00000  -0.00041  -0.00025  -0.00066   2.97271
   A334       2.90731   0.00000  -0.00027  -0.00019  -0.00046   2.90684
   A335       3.22968   0.00000   0.00009  -0.00010   0.00000   3.22967
   A336       3.07643   0.00000  -0.00016  -0.00002  -0.00018   3.07625
   A337       3.10435   0.00000   0.00018   0.00003   0.00021   3.10456
   A338       3.04601   0.00000   0.00003   0.00001   0.00004   3.04605
    D1        2.75794   0.00000   0.00006  -0.00002   0.00004   2.75798
    D2       -1.36139   0.00000   0.00011  -0.00002   0.00009  -1.36130
    D3        2.78097   0.00000   0.00001  -0.00012  -0.00011   2.78086
    D4       -1.33837   0.00000   0.00006  -0.00012  -0.00006  -1.33842
    D5        1.66189   0.00000   0.00002  -0.00001   0.00001   1.66189
    D6       -2.45745   0.00000   0.00007  -0.00001   0.00006  -2.45739
    D7        1.84296   0.00000   0.00001  -0.00003  -0.00002   1.84293
    D8       -2.27638   0.00000   0.00005  -0.00003   0.00003  -2.27635
    D9        0.31125   0.00000  -0.00067  -0.00039  -0.00106   0.31019
   D10        2.47510   0.00000  -0.00063  -0.00038  -0.00101   2.47409
   D11        0.02739   0.00000  -0.00043  -0.00029  -0.00072   0.02667
   D12        2.19124   0.00000  -0.00038  -0.00029  -0.00067   2.19057
   D13       -0.44152   0.00000  -0.00042  -0.00027  -0.00069  -0.44221
   D14        1.72233   0.00000  -0.00038  -0.00026  -0.00064   1.72169
   D15       -0.56170   0.00000  -0.00033  -0.00023  -0.00056  -0.56225
   D16        1.60215   0.00000  -0.00028  -0.00023  -0.00051   1.60164
   D17        0.20937   0.00000  -0.00016  -0.00020  -0.00036   0.20901
   D18        2.37322   0.00000  -0.00011  -0.00020  -0.00031   2.37291
   D19        0.14331   0.00000  -0.00002  -0.00014  -0.00016   0.14315
   D20        2.30715   0.00000   0.00002  -0.00013  -0.00011   2.30704
   D21        2.39687   0.00000  -0.00017  -0.00008  -0.00025   2.39663
   D22       -1.72246   0.00000  -0.00012  -0.00008  -0.00020  -1.72266
   D23        2.15411   0.00000  -0.00007  -0.00006  -0.00012   2.15399
   D24       -1.96522   0.00000  -0.00002  -0.00006  -0.00007  -1.96530
   D25        1.71121   0.00000  -0.00022  -0.00010  -0.00031   1.71090
   D26       -2.40812   0.00000  -0.00017  -0.00009  -0.00026  -2.40839
   D27        1.40438   0.00000  -0.00028  -0.00011  -0.00040   1.40398
   D28       -2.71496   0.00000  -0.00023  -0.00011  -0.00035  -2.71531
   D29        2.36587   0.00000   0.00015   0.00002   0.00017   2.36604
   D30       -1.75347   0.00000   0.00020   0.00002   0.00022  -1.75325
   D31       -1.75002   0.00000   0.00027   0.00002   0.00029  -1.74972
   D32        0.41383   0.00000   0.00032   0.00002   0.00034   0.41417
   D33       -2.10005   0.00000   0.00025   0.00003   0.00027  -2.09977
   D34        0.06380   0.00000   0.00030   0.00003   0.00032   0.06413
   D35       -2.47518   0.00000   0.00023   0.00003   0.00026  -2.47492
   D36       -0.31133   0.00000   0.00028   0.00003   0.00031  -0.31103
   D37       -2.76400   0.00000   0.00025   0.00006   0.00030  -2.76370
   D38       -0.60015   0.00000   0.00030   0.00006   0.00035  -0.59980
   D39       -2.12553   0.00000   0.00029   0.00003   0.00032  -2.12521
   D40        0.03832   0.00000   0.00034   0.00003   0.00037   0.03869
   D41       -2.36726   0.00000   0.00021  -0.00005   0.00016  -2.36710
   D42       -0.20341   0.00000   0.00025  -0.00005   0.00020  -0.20320
   D43        1.26279   0.00000   0.00009   0.00011   0.00020   1.26299
   D44       -1.92895   0.00000   0.00013   0.00018   0.00031  -1.92864
   D45        2.45711   0.00000   0.00008   0.00010   0.00018   2.45729
   D46       -0.73463   0.00000   0.00013   0.00017   0.00029  -0.73434
   D47        2.94276   0.00000   0.00007   0.00010   0.00017   2.94293
   D48       -0.24898   0.00000   0.00011   0.00017   0.00028  -0.24870
   D49        2.86657   0.00000   0.00001   0.00006   0.00006   2.86663
   D50       -0.32517   0.00000   0.00005   0.00012   0.00017  -0.32500
   D51        2.04278   0.00000  -0.00060  -0.00026  -0.00086   2.04192
   D52       -1.14895   0.00000  -0.00056  -0.00019  -0.00075  -1.14970
   D53        1.14848   0.00000  -0.00083  -0.00036  -0.00119   1.14729
   D54       -2.04326   0.00000  -0.00078  -0.00030  -0.00108  -2.04434
   D55        1.01227   0.00000  -0.00038  -0.00017  -0.00055   1.01172
   D56       -2.17947   0.00000  -0.00034  -0.00010  -0.00044  -2.17991
   D57        2.02124   0.00000  -0.00008  -0.00004  -0.00012   2.02112
   D58       -1.17050   0.00000  -0.00004   0.00003  -0.00001  -1.17051
   D59        1.82625   0.00000   0.00003   0.00002   0.00005   1.82630
   D60       -1.36549   0.00000   0.00008   0.00009   0.00016  -1.36532
   D61       -2.28100   0.00000  -0.00012   0.00005  -0.00007  -2.28107
   D62        0.81045   0.00000  -0.00008   0.00012   0.00004   0.81049
   D63       -2.41415   0.00000   0.00005   0.00010   0.00016  -2.41399
   D64        0.67730   0.00000   0.00010   0.00017   0.00027   0.67756
   D65       -2.81669   0.00000   0.00003   0.00010   0.00014  -2.81656
   D66        0.27475   0.00000   0.00008   0.00017   0.00025   0.27500
   D67       -2.99217   0.00000   0.00009   0.00012   0.00021  -2.99195
   D68        0.09928   0.00000   0.00014   0.00019   0.00032   0.09961
   D69       -2.13628   0.00000   0.00018   0.00015   0.00033  -2.13596
   D70        0.95516   0.00000   0.00022   0.00021   0.00044   0.95560
   D71       -0.15884   0.00000   0.00038   0.00025   0.00063  -0.15821
   D72        2.93261   0.00000   0.00042   0.00032   0.00074   2.93335
   D73       -0.55729   0.00000   0.00034   0.00026   0.00060  -0.55669
   D74        2.53416   0.00000   0.00038   0.00033   0.00071   2.53487
   D75       -0.72551   0.00000   0.00035   0.00026   0.00061  -0.72490
   D76        2.36594   0.00000   0.00039   0.00033   0.00072   2.36666
   D77       -1.06348   0.00000   0.00031   0.00025   0.00056  -1.06292
   D78        2.02797   0.00000   0.00035   0.00032   0.00067   2.02863
   D79       -0.84179   0.00000   0.00032   0.00026   0.00059  -0.84120
   D80        2.24966   0.00000   0.00037   0.00033   0.00070   2.25036
   D81       -1.14483   0.00000   0.00026   0.00025   0.00051  -1.14432
   D82        1.94662   0.00000   0.00031   0.00031   0.00062   1.94724
   D83       -1.53283   0.00000   0.00007  -0.00001   0.00006  -1.53277
   D84       -2.60871   0.00000   0.00008  -0.00003   0.00005  -2.60866
   D85       -2.94684   0.00000   0.00005  -0.00012  -0.00007  -2.94691
   D86        0.73470   0.00000  -0.00014  -0.00013  -0.00027   0.73443
   D87        0.31032   0.00000  -0.00020  -0.00017  -0.00037   0.30994
   D88       -0.06790   0.00000  -0.00049  -0.00027  -0.00076  -0.06866
   D89       -0.40475   0.00000  -0.00044  -0.00025  -0.00070  -0.40545
   D90        0.18407   0.00000   0.00001  -0.00009  -0.00009   0.18398
   D91       -0.05401   0.00000   0.00007  -0.00006   0.00001  -0.05400
   D92        2.39962   0.00000  -0.00016  -0.00009  -0.00025   2.39938
   D93        2.05265   0.00000  -0.00007  -0.00007  -0.00013   2.05251
   D94        1.65772   0.00000  -0.00018  -0.00009  -0.00027   1.65745
   D95        1.37155   0.00000  -0.00014  -0.00008  -0.00022   1.37133
   D96        2.05765   0.00000   0.00009  -0.00001   0.00009   2.05773
   D97       -1.89316   0.00000   0.00044   0.00009   0.00053  -1.89263
   D98       -2.43323   0.00000   0.00043   0.00018   0.00061  -2.43262
   D99       -2.65042   0.00000   0.00035   0.00014   0.00048  -2.64993
   D100      -2.97988   0.00000   0.00029   0.00013   0.00042  -2.97946
   D101      -2.90510   0.00000   0.00048   0.00031   0.00080  -2.90430
   D102       2.84247   0.00000   0.00035   0.00037   0.00071   2.84318
   D103      -2.89408   0.00000   0.00073   0.00028   0.00102  -2.89306
   D104       1.20343   0.00000   0.00073   0.00028   0.00101   1.20444
   D105       2.81441   0.00000   0.00058   0.00020   0.00078   2.81519
   D106       0.62873   0.00000   0.00057   0.00020   0.00078   0.62950
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   D330       0.76264   0.00000  -0.00003  -0.00002  -0.00004   0.76259
   D331       2.93430   0.00000   0.00000   0.00001   0.00001   2.93431
   D332       1.04253   0.00000  -0.00002   0.00000  -0.00003   1.04250
   D333      -3.06900   0.00000   0.00000   0.00002   0.00003  -3.06897
   D334       0.32783   0.00000  -0.00025  -0.00007  -0.00032   0.32751
   D335       2.49949   0.00000  -0.00022  -0.00005  -0.00027   2.49922
   D336       0.71966   0.00000  -0.00037  -0.00018  -0.00054   0.71912
   D337       2.89132   0.00000  -0.00034  -0.00015  -0.00049   2.89084
   D338      -2.32294   0.00000   0.00008   0.00004   0.00013  -2.32282
   D339      -0.15128   0.00000   0.00011   0.00007   0.00018  -0.15110
   D340      -1.94723   0.00000   0.00006   0.00001   0.00007  -1.94716
   D341       0.22443   0.00000   0.00009   0.00004   0.00013   0.22456
   D342      -1.89721   0.00000   0.00013   0.00000   0.00013  -1.89708
   D343       0.27445   0.00000   0.00016   0.00002   0.00018   0.27463
   D344      -1.59733   0.00000   0.00022  -0.00001   0.00021  -1.59713
   D345       0.57433   0.00000   0.00025   0.00001   0.00026   0.57459
   D346      -1.58038   0.00000  -0.00003  -0.00001  -0.00004  -1.58042
   D347       0.59129   0.00000   0.00000   0.00002   0.00001   0.59130
   D348      -1.28000   0.00000  -0.00002  -0.00002  -0.00004  -1.28004
   D349       0.89166   0.00000   0.00001   0.00000   0.00001   0.89167
   D350       1.86427   0.00000   0.00007  -0.00007   0.00000   1.86427
   D351      -2.24726   0.00000   0.00009  -0.00004   0.00005  -2.24720
   D352       2.30431   0.00000   0.00025  -0.00001   0.00024   2.30455
   D353      -1.80722   0.00000   0.00028   0.00001   0.00029  -1.80692
   D354       2.57574   0.00000   0.00089   0.00008   0.00097   2.57671
   D355      -1.53579   0.00000   0.00092   0.00010   0.00102  -1.53476
   D356      -3.07522   0.00000   0.00107   0.00024   0.00132  -3.07390
   D357      -0.90356   0.00000   0.00110   0.00027   0.00137  -0.90219
   D358       2.61903   0.00000   0.00009  -0.00001   0.00008   2.61910
   D359      -1.49250   0.00000   0.00011   0.00001   0.00013  -1.49237
   D360       1.63811   0.00000  -0.00005  -0.00006  -0.00011   1.63800
   D361      -2.47342   0.00000  -0.00002  -0.00004  -0.00005  -2.47347
   D362       1.81301   0.00000   0.00002  -0.00005  -0.00003   1.81298
   D363      -2.29852   0.00000   0.00005  -0.00002   0.00003  -2.29849
   D364       2.74998   0.00000   0.00000  -0.00005  -0.00005   2.74993
   D365      -1.36154   0.00000   0.00003  -0.00003   0.00000  -1.36154
   D366       2.75015   0.00000  -0.00011  -0.00019  -0.00030   2.74985
   D367      -1.36138   0.00000  -0.00008  -0.00016  -0.00024  -1.36162
   D368       0.06344   0.00000  -0.00027  -0.00014  -0.00041   0.06302
   D369      -2.38338   0.00000   0.00108   0.00034   0.00142  -2.38197
   D370       0.46279   0.00000  -0.00027  -0.00014  -0.00041   0.46238
   D371      -1.98403   0.00000   0.00108   0.00034   0.00142  -1.98261
   D372       0.67599   0.00000  -0.00016  -0.00009  -0.00025   0.67574
   D373      -1.77083   0.00000   0.00119   0.00040   0.00158  -1.76925
   D374       0.94655   0.00000  -0.00010   0.00000  -0.00010   0.94645
   D375      -1.50027   0.00000   0.00125   0.00048   0.00173  -1.49854
   D376       0.70393   0.00000  -0.00034  -0.00020  -0.00054   0.70339
   D377      -1.74289   0.00000   0.00101   0.00029   0.00129  -1.74160
   D378       1.04526   0.00000  -0.00031  -0.00019  -0.00050   1.04476
   D379      -1.40156   0.00000   0.00104   0.00029   0.00133  -1.40023
   D380      -2.73718   0.00000   0.00042   0.00020   0.00062  -2.73656
   D381       1.09919   0.00000   0.00177   0.00068   0.00245   1.10163
   D382      -2.19346   0.00000   0.00027   0.00016   0.00043  -2.19302
   D383       1.64291   0.00000   0.00162   0.00064   0.00226   1.64517
   D384      -1.95681   0.00000   0.00019   0.00006   0.00025  -1.95656
   D385       1.87955   0.00000   0.00154   0.00054   0.00208   1.88164
   D386      -1.62891   0.00000   0.00014   0.00000   0.00014  -1.62877
   D387       2.20745   0.00000   0.00149   0.00049   0.00197   2.20943
   D388      -1.69622   0.00000  -0.00003   0.00010   0.00007  -1.69616
   D389       2.14014   0.00000   0.00132   0.00058   0.00190   2.14204
   D390      -1.12659   0.00000  -0.00026  -0.00010  -0.00036  -1.12695
   D391       2.70977   0.00000   0.00109   0.00038   0.00147   2.71125
   D392       1.79939   0.00000  -0.00013  -0.00009  -0.00022   1.79917
   D393      -0.64743   0.00000   0.00122   0.00040   0.00161  -0.64582
   D394       2.10270   0.00000  -0.00008  -0.00009  -0.00016   2.10253
   D395      -0.34412   0.00000   0.00127   0.00040   0.00167  -0.34246
   D396       2.05756   0.00000   0.00008  -0.00010  -0.00002   2.05754
   D397      -0.38926   0.00000   0.00143   0.00038   0.00181  -0.38745
   D398       2.26902   0.00000   0.00033  -0.00005   0.00027   2.26929
   D399      -0.17780   0.00000   0.00167   0.00043   0.00210  -0.17570
   D400       2.49988   0.00000  -0.00015  -0.00010  -0.00025   2.49964
   D401       0.05306   0.00000   0.00120   0.00039   0.00158   0.05464
   D402      -1.53652   0.00000  -0.00016  -0.00006  -0.00022  -1.53674
   D403       2.29985   0.00000   0.00119   0.00042   0.00161   2.30146
   D404      -2.63323   0.00000  -0.00019  -0.00009  -0.00027  -2.63350
   D405       1.20314   0.00000   0.00116   0.00039   0.00156   1.20469
   D406      -2.98242   0.00000  -0.00027  -0.00019  -0.00046  -2.98288
   D407       0.85395   0.00000   0.00108   0.00029   0.00137   0.85532
   D408       1.91481   0.00000   0.00006   0.00014   0.00020   1.91501
   D409       2.41258   0.00000   0.00000   0.00007   0.00007   2.41265
   D410       2.64339   0.00000   0.00013   0.00012   0.00025   2.64364
   D411       2.87596   0.00000   0.00020   0.00021   0.00041   2.87637
   D412       2.84419   0.00000  -0.00013  -0.00011  -0.00024   2.84395
   D413      -2.94148   0.00000   0.00010  -0.00003   0.00007  -2.94140
   D414      -0.74618   0.00000   0.00053   0.00034   0.00087  -0.74531
   D415      -0.36679   0.00000   0.00053   0.00035   0.00087  -0.36592
   D416      -0.05413   0.00000   0.00063   0.00033   0.00096  -0.05317
   D417       0.25388   0.00000   0.00065   0.00034   0.00099   0.25487
   D418      -0.23645   0.00000   0.00041   0.00036   0.00077  -0.23568
   D419       0.07213   0.00000   0.00034   0.00034   0.00068   0.07281
   D420      -2.55470   0.00000   0.00042   0.00022   0.00064  -2.55406
   D421      -2.17302   0.00000   0.00041   0.00024   0.00065  -2.17237
   D422      -1.92378   0.00000   0.00063   0.00025   0.00088  -1.92291
   D423      -1.60843   0.00000   0.00070   0.00028   0.00099  -1.60744
   D424      -1.96385   0.00000   0.00024   0.00022   0.00046  -1.96339
   D425       1.30731   0.00000   0.00014   0.00017   0.00031   1.30761
   D426       2.47248   0.00000   0.00011   0.00014   0.00024   2.47272
   D427       2.94850   0.00000   0.00014   0.00014   0.00028   2.94878
   D428      -3.07262   0.00001   0.00008  -0.00005   0.00002  -3.07260
   D429       0.02707   0.00001   0.00011   0.00014   0.00025   0.02732
   D430       0.04004   0.00001   0.00018  -0.00013   0.00005   0.04009
   D431       3.13973   0.00001   0.00022   0.00006   0.00028   3.14001
   D432      -0.08468   0.00000   0.00027   0.00035   0.00062  -0.08406
   D433       2.01471   0.00000   0.00020   0.00038   0.00058   2.01529
   D434      -2.18175   0.00000   0.00024   0.00034   0.00058  -2.18117
   D435       3.09667   0.00000   0.00024   0.00016   0.00040   3.09707
   D436      -1.08712   0.00000   0.00017   0.00020   0.00036  -1.08676
   D437       0.99960   0.00000   0.00020   0.00016   0.00036   0.99996
   D438      -2.36795   0.00000   0.00008  -0.00014  -0.00006  -2.36801
   D439      -0.27779   0.00000   0.00008  -0.00010  -0.00002  -0.27781
   D440       1.82961   0.00000   0.00009  -0.00013  -0.00004   1.82957
   D441       0.73382   0.00000   0.00012   0.00004   0.00016   0.73398
   D442       2.82398   0.00000   0.00012   0.00008   0.00020   2.82418
   D443      -1.35181   0.00000   0.00013   0.00005   0.00018  -1.35163
   D444      -0.00063   0.00000  -0.00001  -0.00006  -0.00007  -0.00070
   D445       3.11432   0.00000  -0.00007  -0.00003  -0.00010   3.11422
   D446      -3.12044  -0.00001   0.00000  -0.00007  -0.00007  -3.12051
   D447      -0.00549   0.00000  -0.00007  -0.00003  -0.00010  -0.00559
   D448       2.41812   0.00000  -0.00033  -0.00016  -0.00049   2.41763
   D449      -1.78132   0.00000  -0.00031  -0.00016  -0.00048  -1.78180
   D450       0.32611   0.00000  -0.00032  -0.00018  -0.00049   0.32562
   D451      -0.69810   0.00000  -0.00027  -0.00019  -0.00046  -0.69857
   D452       1.38564   0.00000  -0.00025  -0.00020  -0.00044   1.38519
   D453      -2.79012   0.00000  -0.00025  -0.00021  -0.00046  -2.79058
   D454       2.05414   0.00000  -0.00026   0.00001  -0.00025   2.05390
   D455      -2.14489   0.00000  -0.00020   0.00001  -0.00019  -2.14508
   D456      -0.05166   0.00000  -0.00022   0.00000  -0.00022  -0.05188
   D457      -1.11277   0.00000  -0.00032   0.00005  -0.00028  -1.11305
   D458       0.97138   0.00000  -0.00026   0.00005  -0.00022   0.97116
   D459       3.06461   0.00000  -0.00029   0.00004  -0.00025   3.06436
   D460      -3.08390   0.00002   0.00050   0.00010   0.00060  -3.08330
   D461      -0.02646   0.00001   0.00047   0.00003   0.00050  -0.02596
   D462       0.07065   0.00000   0.00064  -0.00005   0.00059   0.07124
   D463       3.12809   0.00000   0.00061  -0.00012   0.00049   3.12858
   D464       1.93009   0.00000   0.00014   0.00000   0.00014   1.93023
   D465      -2.27022   0.00000   0.00003  -0.00001   0.00002  -2.27020
   D466      -0.17747   0.00000   0.00019  -0.00002   0.00017  -0.17730
   D467      -1.13068   0.00000   0.00016   0.00007   0.00023  -1.13045
   D468       0.95220   0.00000   0.00005   0.00006   0.00011   0.95231
   D469       3.04495   0.00000   0.00021   0.00005   0.00026   3.04521
   D470      -1.63292   0.00000   0.00036  -0.00005   0.00031  -1.63261
   D471       0.47163   0.00000   0.00040  -0.00006   0.00034   0.47197
   D472       2.56245   0.00000   0.00032  -0.00005   0.00027   2.56273
   D473       1.42824   0.00000   0.00034  -0.00012   0.00022   1.42846
   D474      -2.75039  -0.00001   0.00038  -0.00013   0.00025  -2.75014
   D475      -0.65957   0.00000   0.00030  -0.00012   0.00018  -0.65939
   D476       0.00359   0.00000   0.00005  -0.00006  -0.00001   0.00359
   D477      -3.04549   0.00000   0.00013   0.00003   0.00016  -3.04533
   D478       3.11671   0.00000   0.00007  -0.00007   0.00000   3.11672
   D479       0.06763   0.00000   0.00015   0.00001   0.00016   0.06780
   D480      -0.30743   0.00000  -0.00039  -0.00009  -0.00047  -0.30791
   D481       1.80063   0.00000  -0.00050  -0.00010  -0.00060   1.80004
   D482      -2.39866   0.00000  -0.00040  -0.00007  -0.00048  -2.39914
   D483       2.74633   0.00000  -0.00047  -0.00017  -0.00063   2.74570
   D484      -1.42879   0.00000  -0.00058  -0.00018  -0.00076  -1.42954
   D485       0.65510   0.00000  -0.00048  -0.00015  -0.00064   0.65446
   D486      -0.09103   0.00000   0.00037   0.00031   0.00068  -0.09036
   D487       2.00454   0.00000   0.00023   0.00028   0.00051   2.00506
   D488      -2.19458   0.00000   0.00030   0.00029   0.00058  -2.19399
   D489       3.13832   0.00000   0.00045   0.00039   0.00084   3.13916
   D490      -1.04928   0.00000   0.00031   0.00036   0.00068  -1.04861
   D491       1.03478   0.00000   0.00038   0.00037   0.00074   1.03553
         Item               Value     Threshold  Converged?
 Maximum Force            0.000020     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.003769     0.001800     NO 
 RMS     Displacement     0.000488     0.001200     YES
 Predicted change in Energy=-5.929526D-08
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:27:03 2016, MaxMem=  2952790016 cpu:        11.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.820541   -0.586606    1.668153
      2          6           0       -2.070618    1.118373   -1.366800
      3          8           0       -2.619806    0.137952   -1.898950
      4          7           0       -0.778026    1.166960   -0.944241
      5          1           0       -2.619906    2.058812   -1.160403
      6          6           0       -0.239788    2.337400   -0.250392
      7          1           0       -0.997135    3.133216   -0.225851
      8          1           0        0.039446    2.064982    0.780266
      9          1           0        0.657302    2.703378   -0.775997
     10          6           0        0.133353    0.032639   -1.113381
     11          1           0        0.700117   -0.116420   -0.181011
     12          1           0       -0.447705   -0.871473   -1.337545
     13          1           0        0.844461    0.228178   -1.932942
     14          6           0       -2.012097   -3.994899    2.628886
     15          8           0       -2.137546   -3.839473    3.855624
     16          7           0       -2.948720   -3.684228    1.691698
     17          1           0       -1.081655   -4.395462    2.179559
     18          6           0       -4.247534   -3.114135    2.058176
     19          1           0       -4.503483   -2.318118    1.340852
     20          1           0       -5.034314   -3.886208    2.024460
     21          1           0       -4.189086   -2.694178    3.070456
     22          6           0       -2.696202   -3.872480    0.262734
     23          1           0       -3.404488   -4.605383   -0.157386
     24          1           0       -2.829399   -2.913981   -0.265537
     25          1           0       -1.667599   -4.229138    0.113069
     26          6           0        1.568316    0.372103    2.606669
     27          8           0        1.406219    1.391462    3.298649
     28          7           0        1.181416   -0.886291    2.951647
     29          1           0        2.048170    0.408626    1.608767
     30          6           0        1.478794   -2.040559    2.102643
     31          1           0        2.226989   -2.690575    2.586725
     32          1           0        0.561371   -2.628755    1.940198
     33          1           0        1.863419   -1.694911    1.133330
     34          6           0        0.540155   -1.155926    4.241166
     35          1           0        1.287950   -1.457309    4.994509
     36          1           0        0.021553   -0.251498    4.583999
     37          1           0       -0.184990   -1.972838    4.115713
     38          6           0       -4.608441    1.089892    2.906077
     39          8           0       -4.855251    1.666439    1.832900
     40          7           0       -3.539105    1.342136    3.709504
     41          1           0       -5.248963    0.273436    3.296159
     42          6           0       -2.542708    2.361769    3.369930
     43          1           0       -2.621807    2.611858    2.303894
     44          1           0       -2.697221    3.271269    3.973678
     45          1           0       -1.538143    1.964834    3.581292
     46          6           0       -3.262109    0.533379    4.897026
     47          1           0       -4.074383   -0.189971    5.051680
     48          1           0       -2.311197   -0.010060    4.762755
     49          1           0       -3.174296    1.181913    5.783488
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.490048   0.000000
     3  O    3.726665   1.243389   0.000000
     4  N    3.314580   1.360776   2.315703   0.000000
     5  H    3.954485   1.108486   2.057949   2.057826   0.000000
     6  C    3.837891   2.466644   3.635904   1.463235   2.563336
     7  H    4.254683   2.552199   3.795251   2.104817   2.158962
     8  H    3.358394   3.155682   4.238308   2.109177   3.292170
     9  H    4.789319   3.209803   4.310669   2.109277   3.362041
    10  C    3.455155   2.469924   2.864976   1.464891   3.418775
    11  H    3.161360   3.256959   3.746719   2.101069   4.088202
    12  H    3.316632   2.567916   2.460109   2.102144   3.651904
    13  H    4.553459   3.100104   3.465608   2.119270   3.993729
    14  C    3.546289   6.489568   6.160443   6.398044   7.167674
    15  O    3.932768   7.201280   7.011962   7.067629   7.757768
    16  N    3.296757   5.761116   5.254521   5.932463   6.420678
    17  H    3.913421   6.630014   6.289036   6.386772   7.428271
    18  C    3.525736   5.863749   5.374422   6.275331   6.306172
    19  H    3.209897   5.005965   4.480718   5.589853   5.381603
    20  H    4.619812   6.732754   6.116932   7.243182   7.163517
    21  H    3.466745   6.221953   5.931154   6.531578   6.553885
    22  C    3.679532   5.287283   4.556564   5.525591   6.100112
    23  H    4.689568   6.000274   5.113511   6.390415   6.784770
    24  H    3.189613   4.248342   3.467890   4.617668   5.057009
    25  H    3.963549   5.563121   4.901672   5.570200   6.485903
    26  C    3.644761   5.439413   6.155955   4.329674   5.880222
    27  O    4.121073   5.824894   6.692921   4.777389   6.044681
    28  N    3.278552   5.765707   6.247130   4.820082   6.327134
    29  H    3.995114   5.130512   5.845283   3.883337   5.672948
    30  C    3.631580   5.883385   6.128391   4.966379   6.652191
    31  H    4.653273   6.971934   7.184236   6.031452   7.751775
    32  H    3.149267   5.648413   5.702070   4.951912   6.458137
    33  H    3.884062   5.444434   5.714316   4.414050   6.281070
    34  C    3.537995   6.590740   7.025702   5.832825   7.035444
    35  H    4.635244   7.640705   8.083019   6.813502   8.094281
    36  H    3.465222   6.454901   7.011211   5.763055   6.731493
    37  H    3.253800   6.570322   6.823484   5.984410   7.072511
    38  C    3.480731   4.969793   5.286695   5.431664   4.629183
    39  O    3.783229   4.276989   4.610877   4.958403   3.756406
    40  N    3.292510   5.289176   5.809468   5.414018   5.007448
    41  H    3.891549   5.706048   5.824086   6.226449   5.473614
    42  C    3.480012   4.919910   5.719476   4.811834   4.541108
    43  H    3.358030   4.001037   4.876895   4.004702   3.508164
    44  H    4.578997   5.792090   6.656683   5.683077   5.275871
    45  H    3.201515   5.048132   5.877120   4.657771   4.864433
    46  C    3.709192   6.402921   6.837705   6.379068   6.279476
    47  H    4.084773   6.850089   7.108768   6.975550   6.764798
    48  H    3.185861   6.237202   6.670492   6.025430   6.281666
    49  H    4.679348   7.235245   7.772848   7.141756   7.020963
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098862   0.000000
     8  H    1.102015   1.796634   0.000000
     9  H    1.102258   1.795712   1.791996   0.000000
    10  C    2.489158   3.417497   2.779412   2.742480   0.000000
    11  H    2.628587   3.666444   2.473672   2.882205   1.101251
    12  H    3.394407   4.192287   3.653109   3.783641   1.097860
    13  H    2.907815   3.839906   3.373928   2.738643   1.102538
    14  C    7.178393   7.745301   6.659458   7.974073   5.901574
    15  O    7.656018   8.159496   7.004264   8.489523   6.696361
    16  N    6.882589   7.345966   6.543184   7.739149   5.584151
    17  H    7.207276   7.904057   6.704641   7.883705   5.650467
    18  C    7.149178   7.403463   6.843574   8.119939   6.257246
    19  H    6.510376   6.668289   6.337509   7.505343   5.748875
    20  H    8.178981   8.404465   7.918820   9.146568   7.204734
    21  H    7.207063   7.417055   6.765726   8.210742   6.604809
    22  C    6.697752   7.225325   6.557825   7.454319   5.014981
    23  H    7.630611   8.104687   7.565292   8.384439   5.911133
    24  H    5.855196   6.318810   5.840723   6.631167   4.263720
    25  H    6.729798   7.400584   6.555540   7.365826   4.786476
    26  C    3.910809   4.714705   2.922161   4.207994   4.001640
    27  O    4.024901   4.607810   2.943459   4.345658   4.788799
    28  N    4.760783   5.567675   3.837838   5.201514   4.297362
    29  H    3.522981   4.479184   2.732197   3.589917   3.349325
    30  C    5.258976   6.190319   4.547073   5.609488   4.056004
    31  H    6.278117   7.226485   5.537504   6.547255   5.048761
    32  H    5.486642   6.349883   4.863025   5.984861   4.073152
    33  H    4.753704   5.774162   4.193844   4.944208   3.320432
    34  C    5.743320   6.380771   4.754239   6.330867   5.499941
    35  H    6.651525   7.317561   5.632508   7.141973   6.392133
    36  H    5.490176   5.968976   4.453627   6.153457   5.705557
    37  H    6.135473   6.751336   5.242096   6.819478   5.609519
    38  C    5.532152   5.198623   5.203146   6.624882   6.305430
    39  O    5.108110   4.612477   5.022443   6.186261   6.019638
    40  N    5.249458   5.015635   4.680702   6.291465   6.201769
    41  H    6.475323   6.217792   6.124265   7.574368   6.962137
    42  C    4.290777   3.989182   3.669055   5.248379   5.717187
    43  H    3.503386   3.051390   3.114929   4.499629   5.091271
    44  H    4.975324   4.532703   4.375198   5.842495   6.661760
    45  H    4.062798   4.018972   3.216297   4.934713   5.344832
    46  C    6.235770   6.175203   5.494888   7.228684   6.921337
    47  H    7.014533   6.954520   6.344555   8.045006   7.467434
    48  H    5.910410   6.040955   5.068683   6.844890   6.364481
    49  H    6.808391   6.682797   6.011671   7.747442   7.734868
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795876   0.000000
    13  H    1.791325   1.798172   0.000000
    14  C    5.504019   5.285422   6.841387   0.000000
    15  O    6.181252   6.215593   7.677607   1.242893   0.000000
    16  N    5.436019   4.831457   6.544705   1.360919   2.316178
    17  H    5.201653   5.019004   6.480789   1.108182   2.057480
    18  C    6.203185   5.567688   7.282066   2.469541   2.865133
    19  H    5.851580   5.071087   6.767707   3.267664   3.773097
    20  H    7.208266   6.436512   8.194462   3.083981   3.427333
    21  H    6.412579   6.062232   7.675334   2.574129   2.477298
    22  C    5.083294   4.077091   5.845741   2.466102   3.636214
    23  H    6.082691   4.906876   6.676038   3.174075   4.277383
    24  H    4.504551   3.315646   5.113771   3.195943   4.280089
    25  H    4.754683   3.855689   5.510379   2.550075   3.792019
    26  C    2.960335   4.600830   4.599211   5.647173   5.747232
    27  O    3.857502   5.481989   5.388724   6.414542   6.342805
    28  N    3.261578   4.588182   5.021432   4.468349   4.533649
    29  H    2.301353   4.068021   3.745020   6.075973   6.372985
    30  C    3.086053   4.112548   4.672846   4.035183   4.403062
    31  H    4.076514   5.085568   5.554988   4.435413   4.688202
    32  H    3.290988   3.853553   4.821143   2.993890   3.524039
    33  H    2.360592   3.482034   3.760129   4.748290   5.293180
    34  C    4.545526   5.672635   6.334663   4.144057   3.810532
    35  H    5.378619   6.591708   7.143328   4.788095   4.325019
    36  H    4.814978   5.972374   6.586182   4.687350   4.250388
    37  H    4.763564   5.569564   6.518471   3.104466   2.713752
    38  C    6.258282   6.258355   7.341171   5.716025   5.595141
    39  O    6.172239   5.993261   6.981180   6.384972   6.464704
    40  N    5.935864   6.318980   7.231441   5.655389   5.369803
    41  H    6.901757   6.770089   8.029655   5.398263   5.187479
    42  C    5.409854   6.083026   6.644214   6.421676   6.233415
    43  H    4.965222   5.488204   5.970571   6.642786   6.652973
    44  H    6.346636   7.101530   7.529414   7.421258   7.133711
    45  H    4.847303   5.781751   6.252963   6.053935   5.841620
    46  C    6.473634   6.983148   7.975308   5.216540   4.633680
    47  H    7.083947   7.378308   8.553058   4.959882   4.301250
    48  H    5.789658   6.436481   7.405896   4.530099   3.939219
    49  H    7.229937   7.896822   8.752332   6.172650   5.477758
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056646   0.000000
    18  C    1.465002   3.417502   0.000000
    19  H    2.099199   4.089950   1.101683   0.000000
    20  H    2.121610   3.988347   1.102840   1.791091   0.000000
    21  H    2.102304   3.652970   1.097493   1.797720   1.797068
    22  C    1.463264   2.560174   2.491050   2.616227   2.927565
    23  H    2.115505   3.301656   2.800582   2.946877   2.816735
    24  H    2.106724   3.350804   2.729617   2.395432   3.324299
    25  H    2.104820   2.154385   3.418002   3.633412   3.886617
    26  C    6.139593   5.471238   6.802853   6.760645   7.878255
    27  O    6.878257   6.397684   7.335128   7.246967   8.423646
    28  N    5.145284   4.246397   5.935914   6.079709   6.963797
    29  H    6.459663   5.762019   7.228257   7.101483   8.293370
    30  C    4.740612   3.479566   5.826266   6.036970   6.770016
    31  H    5.345688   3.744268   6.509855   6.854937   7.380528
    32  H    3.673760   2.424475   4.834778   5.109643   5.735850
    33  H    5.236968   4.130500   6.341394   6.400695   7.292093
    34  C    5.006431   4.168343   5.614446   5.933026   6.591125
    35  H    5.815248   4.708685   6.481413   6.901515   7.395388
    36  H    5.382524   4.916384   5.727091   5.938423   6.732321
    37  H    4.054986   3.228283   4.694708   5.144750   5.616963
    38  C    5.198232   6.561643   4.303839   3.751730   5.071507
    39  O    5.681939   7.148904   4.824309   4.030204   5.558834
    40  N    5.448342   6.426493   4.804904   4.465198   5.693031
    41  H    4.850621   6.357032   3.743140   3.330934   4.354989
    42  C    6.287717   7.015114   5.883252   5.464718   6.859708
    43  H    6.334221   7.175657   5.957379   5.364030   6.937084
    44  H    7.324591   8.037890   6.844414   6.437050   7.777591
    45  H    6.121454   6.528905   5.954546   5.670670   6.991540
    46  C    5.306652   6.035932   4.725938   4.724238   5.561033
    47  H    4.976588   5.906915   4.188291   4.299231   4.873160
    48  H    4.830873   5.236069   4.549663   4.673614   5.471576
    49  H    6.361837   6.962368   5.786694   5.809817   6.578435
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391225   0.000000
    23  H    3.832396   1.102414   0.000000
    24  H    3.609143   1.102512   1.789767   0.000000
    25  H    4.178533   1.098922   1.797635   1.795205   0.000000
    26  C    6.539484   6.457293   7.559375   6.195790   6.153098
    27  O    6.931952   7.331830   8.429071   7.012897   7.154539
    28  N    5.667879   5.584219   6.672949   5.527064   5.229631
    29  H    7.118096   6.530600   7.615186   6.192206   6.128043
    30  C    5.786946   4.916482   5.960914   4.993162   4.318341
    31  H    6.434285   5.570964   6.550585   5.809678   4.863534
    32  H    4.883503   3.869434   4.902546   4.055113   3.296655
    33  H    6.433025   5.127367   6.155294   5.046336   4.464452
    34  C    5.109061   5.803585   6.841508   5.895340   5.600000
    35  H    5.935466   6.640499   7.646657   6.836852   6.344034
    36  H    5.097742   6.258677   7.292105   6.223724   6.218044
    37  H    4.200676   4.975970   5.962788   5.203269   4.828062
    38  C    3.810782   5.938776   6.578029   5.408801   6.688911
    39  O    4.581517   6.148702   6.738078   5.430263   6.919304
    40  N    4.137957   6.307371   7.095346   5.866785   6.890281
    41  H    3.159274   5.736452   6.255552   5.357200   6.575060
    42  C    5.325677   6.967359   7.856578   6.413451   7.403581
    43  H    5.585517   6.798420   7.665445   6.097538   7.246341
    44  H    6.215145   8.050110   8.922307   7.499716   8.498267
    45  H    5.384686   6.813822   7.786444   6.345729   7.100044
    46  C    3.822665   6.419386   7.209315   6.222828   6.936158
    47  H    3.195224   6.196310   6.861413   6.102705   6.818897
    48  H    3.687117   5.942786   6.820562   5.829666   6.311452
    49  H    4.838845   7.500280   8.296973   7.313413   7.981433
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242660   0.000000
    28  N    1.360977   2.314974   0.000000
    29  H    1.107882   2.057613   2.057036   0.000000
    30  C    2.466373   3.635171   1.463413   2.562540   0.000000
    31  H    3.132769   4.224159   2.117034   3.254754   1.103019
    32  H    3.234698   4.326812   2.108000   3.397955   1.101829
    33  H    2.555457   3.797807   2.103633   2.164495   1.098625
    34  C    2.462431   2.850893   1.465189   3.413423   2.497379
    35  H    3.021115   3.317443   2.123841   3.939911   2.956264
    36  H    2.586734   2.503746   2.100671   3.659911   3.388425
    37  H    3.293941   3.810256   2.098261   4.116206   2.612512
    38  C    6.225528   6.034997   6.117991   6.815982   6.892000
    39  O    6.598199   6.436617   6.649012   7.020651   7.344026
    40  N    5.314410   4.962606   5.274803   6.041703   6.261305
    41  H    6.852767   6.748439   6.543197   7.490909   7.213998
    42  C    4.630535   4.067014   4.959229   5.290806   6.095818
    43  H    4.760809   4.324800   5.207795   5.210194   6.204871
    44  H    5.335605   4.563722   5.776995   6.025468   7.011091
    45  H    3.624468   3.012957   3.990158   4.378845   5.227953
    46  C    5.348341   5.008433   5.054194   6.247182   6.075352
    47  H    6.175277   5.967498   5.702492   7.049654   6.554332
    48  H    4.454815   4.234035   4.030662   5.396946   5.056002
    49  H    5.765444   5.215310   5.591871   6.730559   6.751608
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787764   0.000000
    33  H    1.798857   1.793999   0.000000
    34  C    2.817397   2.732056   3.420552   0.000000
    35  H    2.863593   3.350973   3.911052   1.103429   0.000000
    36  H    3.847356   3.596170   4.169296   1.097485   1.796179
    37  H    2.944587   2.391683   3.628751   1.099509   1.790979
    38  C    7.817737   6.441134   7.265173   5.773578   6.754052
    39  O    8.349247   6.913754   7.545104   6.547969   7.582381
    40  N    7.125392   5.975978   6.711750   4.812831   5.726132
    41  H    8.073321   6.634856   7.690136   6.037384   6.972167
    42  C    6.992109   6.048534   6.393199   4.757865   5.647881
    43  H    7.190730   6.142387   6.327380   5.286514   6.251699
    44  H    7.855893   7.040152   7.316417   5.491103   6.267626
    45  H    6.069449   5.310575   5.563890   3.807086   4.657795
    46  C    6.772116   5.775891   6.738080   4.212021   4.967432
    47  H    7.213619   6.092552   7.271575   4.783719   5.510357
    48  H    5.702227   4.803752   5.782635   3.116933   3.886142
    49  H    7.374913   6.576266   7.434962   4.652032   5.244009
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795817   0.000000
    38  C    5.104076   5.514567   0.000000
    39  O    5.918635   6.345621   1.242993   0.000000
    40  N    3.997836   4.733301   1.361103   2.314963   0.000000
    41  H    5.450911   5.600111   1.108617   2.058299   2.058297
    42  C    3.857274   4.990375   2.469835   2.862481   1.465526
    43  H    4.514980   5.499109   2.574048   2.470612   2.104607
    44  H    4.491560   5.816540   3.090460   3.437369   2.121347
    45  H    2.889672   4.197844   3.263154   3.761531   2.099533
    46  C    3.390642   4.044779   2.467022   3.634666   1.463224
    47  H    4.123008   4.379729   2.554775   3.796914   2.106017
    48  H    2.352013   2.965116   3.151901   4.226927   2.108443
    49  H    3.702282   4.655092   3.216323   4.320593   2.111911
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419121   0.000000
    43  H    3.654416   1.097832   0.000000
    44  H    3.994674   1.102532   1.796856   0.000000
    45  H    4.088070   1.100628   1.795749   1.790028   0.000000
    46  C    2.564748   2.488487   3.384435   2.944098   2.598515
    47  H    2.162461   3.418432   4.184561   3.877995   3.638370
    48  H    3.295716   2.760277   3.607899   3.396878   2.427690
    49  H    3.363983   2.759751   3.802310   2.805071   2.853004
                   46         47         48         49
    46  C    0.000000
    47  H    1.098608   0.000000
    48  H    1.103444   1.795736   0.000000
    49  H    1.101872   1.796598   1.790988   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144418      0.1947132      0.1845694
 Leave Link  202 at Mon Nov 14 04:27:03 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1538624240 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843346120 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9695278120 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4037
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.53D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.40%
 GePol: Cavity surface area                          =    468.130 Ang**2
 GePol: Cavity volume                                =    458.419 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040215838 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9655062282 Hartrees.
 Leave Link  301 at Mon Nov 14 04:27:04 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:27:05 2016, MaxMem=  2952790016 cpu:        14.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:27:05 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000406   -0.000241   -0.000007
         Rot=    1.000000    0.000009   -0.000001    0.000013 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:27:06 2016, MaxMem=  2952790016 cpu:         6.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48892107.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.88D-15 for   3865.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.50D-15 for   1855   1009.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.33D-15 for   2751.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.62D-11 for   1711   1683.
 E= -1013.45141471549    
 DIIS: error= 2.44D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141471549     IErMin= 1 ErrMin= 2.44D-05
 ErrMax= 2.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-06 BMatP= 1.26D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=5.89D-06 MaxDP=2.34D-04              OVMax= 3.16D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.88D-06    CP:  1.00D+00
 E= -1013.45141679669     Delta-E=       -0.000002081205 Rises=F Damp=F
 DIIS: error= 3.53D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141679669     IErMin= 2 ErrMin= 3.53D-06
 ErrMax= 3.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-08 BMatP= 1.26D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.186D-01 0.981D+00
 Coeff:      0.186D-01 0.981D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.21D-06 MaxDP=7.49D-05 DE=-2.08D-06 OVMax= 9.92D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.18D-06    CP:  1.00D+00  9.50D-01
 E= -1013.45141673746     Delta-E=        0.000000059235 Rises=F Damp=F
 DIIS: error= 1.01D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141679669     IErMin= 2 ErrMin= 3.53D-06
 ErrMax= 1.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.38D-08 BMatP= 2.07D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.215D-02 0.695D+00 0.303D+00
 Coeff:      0.215D-02 0.695D+00 0.303D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.90D-07 MaxDP=6.46D-05 DE= 5.92D-08 OVMax= 9.75D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.29D-07    CP:  1.00D+00  9.67D-01  3.42D-01
 E= -1013.45141681124     Delta-E=       -0.000000073777 Rises=F Damp=F
 DIIS: error= 2.47D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141681124     IErMin= 4 ErrMin= 2.47D-06
 ErrMax= 2.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.80D-09 BMatP= 2.07D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.235D-04 0.253D+00 0.199D+00 0.549D+00
 Coeff:     -0.235D-04 0.253D+00 0.199D+00 0.549D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.19D-07 MaxDP=1.07D-05 DE=-7.38D-08 OVMax= 2.19D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.28D-08    CP:  1.00D+00  9.72D-01  3.91D-01  5.61D-01
 E= -1013.45141681511     Delta-E=       -0.000000003876 Rises=F Damp=F
 DIIS: error= 7.13D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141681511     IErMin= 5 ErrMin= 7.13D-07
 ErrMax= 7.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-10 BMatP= 4.80D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.294D-05 0.143D+00 0.119D+00 0.359D+00 0.379D+00
 Coeff:     -0.294D-05 0.143D+00 0.119D+00 0.359D+00 0.379D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.47D-08 MaxDP=3.00D-06 DE=-3.88D-09 OVMax= 2.84D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.03D-08    CP:  1.00D+00  9.72D-01  3.87D-01  5.82D-01  6.63D-01
 E= -1013.45141681549     Delta-E=       -0.000000000374 Rises=F Damp=F
 DIIS: error= 7.61D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141681549     IErMin= 6 ErrMin= 7.61D-08
 ErrMax= 7.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.18D-12 BMatP= 3.25D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-04 0.415D-01 0.360D-01 0.112D+00 0.165D+00 0.645D+00
 Coeff:     -0.165D-04 0.415D-01 0.360D-01 0.112D+00 0.165D+00 0.645D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.42D-09 MaxDP=3.50D-07 DE=-3.74D-10 OVMax= 4.07D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141682     A.U. after    6 cycles
            NFock=  6  Conv=0.84D-08     -V/T= 2.0213
 KE= 9.923504557713D+02 PE=-6.029475844098D+03 EE= 2.174708465283D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.52
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:28:25 2016, MaxMem=  2952790016 cpu:       890.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11984 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     360
 Leave Link  701 at Mon Nov 14 04:28:33 2016, MaxMem=  2952790016 cpu:        96.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:28:33 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:29:10 2016, MaxMem=  2952790016 cpu:       441.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24685577D+00-2.53704566D+00 3.32062683D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000049305   -0.000023460   -0.000062643
      2        6          -0.000002341    0.000032576    0.000004545
      3        8           0.000025163    0.000020399    0.000009072
      4        7           0.000006944    0.000029623    0.000028246
      5        1           0.000018433    0.000022519    0.000001201
      6        6          -0.000004944    0.000027120    0.000046825
      7        1           0.000007589    0.000016767    0.000027400
      8        1           0.000013329    0.000003768    0.000046764
      9        1           0.000015022    0.000019899    0.000036522
     10        6           0.000015456    0.000028000    0.000017149
     11        1           0.000016051    0.000018739    0.000015795
     12        1           0.000025097    0.000023449    0.000004160
     13        1           0.000021343    0.000033936    0.000018194
     14        6          -0.000015106   -0.000006904   -0.000031655
     15        8          -0.000005405   -0.000012720   -0.000028033
     16        7          -0.000001754    0.000009183   -0.000030338
     17        1           0.000004780   -0.000006388   -0.000024260
     18        6           0.000011288   -0.000013065   -0.000041339
     19        1           0.000006452   -0.000010110   -0.000026192
     20        1           0.000004466   -0.000008468   -0.000046087
     21        1          -0.000005912   -0.000012700   -0.000032184
     22        6           0.000007791    0.000003634   -0.000015102
     23        1           0.000018594    0.000014638   -0.000046020
     24        1           0.000015031    0.000008054   -0.000019576
     25        1           0.000017298    0.000012512   -0.000029584
     26        6          -0.000017074    0.000003494    0.000028739
     27        8           0.000001668   -0.000007494    0.000030464
     28        7          -0.000024350   -0.000001336    0.000010942
     29        1           0.000004651    0.000012506    0.000031907
     30        6           0.000012996    0.000026564    0.000021130
     31        1          -0.000003469   -0.000010071   -0.000001835
     32        1          -0.000001212   -0.000001417   -0.000008938
     33        1           0.000003028    0.000013140    0.000011933
     34        6          -0.000027777   -0.000000048   -0.000003960
     35        1          -0.000016432   -0.000020196    0.000011982
     36        1          -0.000002991   -0.000017325    0.000026450
     37        1          -0.000013935   -0.000013100   -0.000003634
     38        6           0.000011725   -0.000015436   -0.000005308
     39        8          -0.000012443   -0.000003424   -0.000005906
     40        7          -0.000035650   -0.000024829   -0.000008634
     41        1          -0.000011942   -0.000014556   -0.000014915
     42        6           0.000033041    0.000035706   -0.000031374
     43        1          -0.000009177   -0.000005722    0.000017606
     44        1          -0.000046258   -0.000046694    0.000055588
     45        1          -0.000021209   -0.000020935    0.000025555
     46        6          -0.000020153   -0.000037465   -0.000000817
     47        1          -0.000021967   -0.000025577   -0.000010122
     48        1          -0.000018106   -0.000025420   -0.000002264
     49        1          -0.000026936   -0.000031367    0.000002548
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000062643 RMS     0.000021986
 Leave Link  716 at Mon Nov 14 04:29:10 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000013927 RMS     0.000002238
 Search for a local minimum.
 Step number  98 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .22377D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98
 DE= -1.63D-07 DEPred=-5.93D-08 R= 2.75D+00
 Trust test= 2.75D+00 RLast= 1.35D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1
 ITU=  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0
 ITU=  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00006   0.00048   0.00057   0.00094   0.00115
     Eigenvalues ---    0.00127   0.00163   0.00200   0.00221   0.00238
     Eigenvalues ---    0.00291   0.00362   0.00376   0.00439   0.00569
     Eigenvalues ---    0.00594   0.00729   0.00760   0.00802   0.00832
     Eigenvalues ---    0.00874   0.00990   0.01046   0.01118   0.01200
     Eigenvalues ---    0.01226   0.01280   0.01315   0.01485   0.01502
     Eigenvalues ---    0.01608   0.01675   0.01741   0.01773   0.01806
     Eigenvalues ---    0.01819   0.01858   0.01921   0.02043   0.02107
     Eigenvalues ---    0.02201   0.02314   0.02393   0.02429   0.02516
     Eigenvalues ---    0.02843   0.02960   0.03087   0.03160   0.03607
     Eigenvalues ---    0.04345   0.04397   0.04913   0.05417   0.05622
     Eigenvalues ---    0.05826   0.05935   0.06116   0.06309   0.06349
     Eigenvalues ---    0.06565   0.06926   0.07313   0.07443   0.07485
     Eigenvalues ---    0.07668   0.08015   0.08068   0.08153   0.08313
     Eigenvalues ---    0.08381   0.08639   0.08870   0.09135   0.09320
     Eigenvalues ---    0.09394   0.09609   0.09762   0.09878   0.10016
     Eigenvalues ---    0.10096   0.10454   0.10477   0.10697   0.10903
     Eigenvalues ---    0.11242   0.11339   0.11419   0.11593   0.13277
     Eigenvalues ---    0.13412   0.14173   0.14755   0.15134   0.15175
     Eigenvalues ---    0.15491   0.15858   0.20469   0.22673   0.22940
     Eigenvalues ---    0.23451   0.24701   0.24795   0.25733   0.26413
     Eigenvalues ---    0.26852   0.27271   0.28344   0.29254   0.29631
     Eigenvalues ---    0.29798   0.30738   0.32807   0.32825   0.32834
     Eigenvalues ---    0.32934   0.33295   0.33355   0.33363   0.33384
     Eigenvalues ---    0.33394   0.33422   0.33518   0.33555   0.33698
     Eigenvalues ---    0.33798   0.33822   0.33838   0.33924   0.33959
     Eigenvalues ---    0.34041   0.34209   0.34266   0.37272   0.39091
     Eigenvalues ---    0.40145   0.40833   0.85958   0.86134   0.86454
     Eigenvalues ---    0.89268
 Eigenvalue     1 is   6.37D-05 Eigenvector:
                         D399      D381      D397      D383      D385
   1                   -0.23479  -0.22961  -0.22033  -0.21794  -0.21667
                         D387      D395      D405      D403      D407
   1                   -0.21465  -0.21260  -0.21180  -0.21074  -0.21065
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    98   97   96   95   94
 RFO step:  Lambda=-1.42883478D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.69D-07 SmlDif=  1.00D-05
 RMS Error=  0.1337715703D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.37363   -1.70141   -0.07377    0.60085   -0.19929
 Iteration  1 RMS(Cart)=  0.00057642 RMS(Int)=  0.00000129
 Iteration  2 RMS(Cart)=  0.00000097 RMS(Int)=  0.00000019
 ITry= 1 IFail=0 DXMaxC= 5.01D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59524   0.00000  -0.00004  -0.00010  -0.00014   6.59510
    R2        6.26365   0.00000  -0.00074   0.00003  -0.00071   6.26293
    R3        7.25256   0.00000  -0.00069  -0.00021  -0.00090   7.25166
    R4        6.34645   0.00000  -0.00037  -0.00037  -0.00074   6.34571
    R5        6.52930   0.00000  -0.00051   0.00003  -0.00048   6.52882
    R6        5.97410   0.00000  -0.00032  -0.00005  -0.00037   5.97374
    R7        6.70151   0.00000  -0.00012   0.00000  -0.00012   6.70139
    R8        6.22997   0.00000  -0.00030   0.00002  -0.00028   6.22969
    R9        6.66268   0.00000  -0.00024   0.00013  -0.00011   6.66257
   R10        6.06583   0.00000  -0.00073   0.00004  -0.00069   6.06514
   R11        6.95331   0.00000  -0.00021   0.00000  -0.00021   6.95310
   R12        6.02749   0.00000   0.00002   0.00003   0.00005   6.02755
   R13        6.88760   0.00001  -0.00005   0.00040   0.00035   6.88795
   R14        6.19557   0.00000  -0.00054  -0.00009  -0.00063   6.19493
   R15        6.86269  -0.00001  -0.00120  -0.00040  -0.00160   6.86109
   R16        5.95125   0.00000  -0.00123  -0.00036  -0.00159   5.94966
   R17        6.68584   0.00000   0.00038  -0.00012   0.00026   6.68610
   R18        6.57763   0.00000  -0.00027  -0.00035  -0.00062   6.57701
   R19        6.22194   0.00000  -0.00039   0.00002  -0.00037   6.22157
   R20        6.57627   0.00000  -0.00029   0.00004  -0.00025   6.57602
   R21        6.04999   0.00000   0.00057   0.00004   0.00061   6.05060
   R22        7.00936   0.00000  -0.00075   0.00017  -0.00058   7.00878
   R23        6.02040   0.00000  -0.00035   0.00014  -0.00021   6.02020
   R24        2.34967   0.00000   0.00000   0.00000   0.00000   2.34967
   R25        2.57149   0.00001  -0.00001   0.00001   0.00000   2.57149
   R26        2.09474   0.00000   0.00000  -0.00001  -0.00001   2.09473
   R27        2.76511   0.00000   0.00002   0.00000   0.00001   2.76513
   R28        2.76824   0.00001   0.00003   0.00001   0.00004   2.76828
   R29        2.07655   0.00000   0.00000   0.00000  -0.00001   2.07654
   R30        2.08251   0.00001   0.00001  -0.00001   0.00000   2.08251
   R31        2.08297   0.00000   0.00001   0.00000   0.00001   2.08297
   R32        2.08106   0.00000  -0.00001   0.00001   0.00000   2.08106
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07465
   R34        2.08349   0.00000   0.00000   0.00000   0.00000   2.08350
   R35        2.34873   0.00000   0.00000   0.00001   0.00000   2.34873
   R36        2.57176  -0.00001   0.00001   0.00001   0.00002   2.57178
   R37        2.09416   0.00000   0.00000   0.00000   0.00001   2.09417
   R38        2.76845  -0.00001   0.00001  -0.00001   0.00000   2.76845
   R39        2.76517  -0.00001   0.00003   0.00000   0.00002   2.76519
   R40        2.08188  -0.00001   0.00000  -0.00001  -0.00001   2.08187
   R41        2.08407   0.00000   0.00000   0.00000   0.00000   2.08407
   R42        2.07396   0.00000  -0.00001   0.00000  -0.00002   2.07395
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08345   0.00000   0.00000  -0.00001   0.00000   2.08344
   R45        2.07666   0.00000   0.00000   0.00000   0.00000   2.07666
   R46        2.34829   0.00000  -0.00002   0.00000  -0.00002   2.34827
   R47        2.57187   0.00000  -0.00001   0.00002   0.00001   2.57188
   R48        2.09359   0.00000   0.00001   0.00000   0.00001   2.09360
   R49        2.76545   0.00000   0.00003   0.00000   0.00003   2.76548
   R50        2.76881   0.00000  -0.00001  -0.00001  -0.00001   2.76879
   R51        2.08440   0.00000   0.00001   0.00000   0.00000   2.08441
   R52        2.08216   0.00000   0.00002   0.00001   0.00003   2.08218
   R53        2.07610   0.00000   0.00000   0.00000   0.00000   2.07610
   R54        2.08518   0.00000   0.00001   0.00000   0.00001   2.08518
   R55        2.07395   0.00000   0.00000   0.00000   0.00000   2.07395
   R56        2.07777   0.00000  -0.00001   0.00001   0.00000   2.07777
   R57        2.34892   0.00000  -0.00001  -0.00001  -0.00001   2.34890
   R58        2.57211  -0.00001   0.00002  -0.00001   0.00001   2.57212
   R59        2.09498   0.00000  -0.00001   0.00000  -0.00001   2.09497
   R60        2.76944   0.00001  -0.00003   0.00002  -0.00001   2.76943
   R61        2.76509   0.00001   0.00005   0.00001   0.00006   2.76515
   R62        2.07460   0.00000   0.00000  -0.00001   0.00000   2.07460
   R63        2.08348   0.00000   0.00002  -0.00001   0.00001   2.08349
   R64        2.07989   0.00000  -0.00002  -0.00001  -0.00003   2.07985
   R65        2.07607   0.00000   0.00000  -0.00001   0.00000   2.07606
   R66        2.08521   0.00000   0.00001   0.00000   0.00001   2.08522
   R67        2.08224   0.00000  -0.00001   0.00000  -0.00001   2.08223
    A1        0.68028   0.00000   0.00006   0.00002   0.00008   0.68036
    A2        0.95705   0.00000   0.00012   0.00002   0.00013   0.95719
    A3        0.72711   0.00000   0.00004   0.00001   0.00005   0.72716
    A4        1.01905   0.00000   0.00007   0.00001   0.00008   1.01912
    A5        2.34792   0.00000   0.00029   0.00010   0.00039   2.34831
    A6        2.02718   0.00000   0.00008   0.00002   0.00010   2.02728
    A7        1.97914   0.00000  -0.00025  -0.00012  -0.00037   1.97877
    A8        1.68601   0.00000  -0.00029  -0.00014  -0.00043   1.68559
    A9        1.65797   0.00000   0.00020   0.00007   0.00027   1.65824
   A10        1.37618   0.00000   0.00014   0.00005   0.00019   1.37637
   A11        1.73356   0.00000   0.00015   0.00006   0.00021   1.73377
   A12        2.03834   0.00000   0.00023   0.00007   0.00030   2.03865
   A13        1.94414   0.00000   0.00032   0.00011   0.00043   1.94456
   A14        2.03320   0.00000   0.00041   0.00016   0.00057   2.03377
   A15        2.43233   0.00000   0.00014   0.00005   0.00019   2.43252
   A16        1.58738   0.00000  -0.00035  -0.00010  -0.00045   1.58693
   A17        1.78808   0.00000  -0.00034  -0.00010  -0.00044   1.78763
   A18        1.56728   0.00000  -0.00032  -0.00010  -0.00042   1.56686
   A19        1.70787   0.00000  -0.00017  -0.00007  -0.00025   1.70762
   A20        2.19153   0.00000  -0.00028  -0.00012  -0.00039   2.19114
   A21        2.41170   0.00000  -0.00036  -0.00011  -0.00048   2.41123
   A22        0.64305   0.00000   0.00004   0.00002   0.00006   0.64311
   A23        0.65921   0.00000   0.00007   0.00001   0.00007   0.65928
   A24        2.40234   0.00000   0.00064   0.00022   0.00086   2.40319
   A25        2.22730   0.00000   0.00033   0.00009   0.00043   2.22773
   A26        2.32260   0.00000  -0.00008  -0.00007  -0.00015   2.32245
   A27        2.05772   0.00000  -0.00019  -0.00011  -0.00031   2.05741
   A28        1.81961   0.00000   0.00034   0.00010   0.00044   1.82005
   A29        1.57850   0.00000   0.00021   0.00007   0.00028   1.57877
   A30        1.34010   0.00000   0.00013   0.00005   0.00018   1.34028
   A31        1.63977   0.00000   0.00022   0.00007   0.00029   1.64006
   A32        1.59116   0.00000   0.00036   0.00012   0.00047   1.59163
   A33        1.74493   0.00000   0.00049   0.00017   0.00066   1.74559
   A34        2.03583   0.00000   0.00014   0.00005   0.00018   2.03602
   A35        1.85189   0.00000  -0.00026  -0.00006  -0.00032   1.85158
   A36        1.92081   0.00000  -0.00022  -0.00006  -0.00028   1.92053
   A37        1.57326   0.00000  -0.00021  -0.00006  -0.00027   1.57299
   A38        1.59241   0.00000  -0.00006  -0.00003  -0.00009   1.59232
   A39        2.27652   0.00000  -0.00013  -0.00008  -0.00021   2.27631
   A40        2.37212   0.00000  -0.00027  -0.00006  -0.00033   2.37178
   A41        0.68897   0.00000   0.00006   0.00001   0.00007   0.68904
   A42        0.74642   0.00000   0.00006   0.00002   0.00008   0.74650
   A43        2.66794   0.00000   0.00076   0.00028   0.00104   2.66898
   A44        2.60681   0.00000   0.00042   0.00013   0.00055   2.60736
   A45        2.65729   0.00000  -0.00023  -0.00012  -0.00035   2.65694
   A46        2.35219   0.00000  -0.00031  -0.00014  -0.00045   2.35174
   A47        2.19870   0.00000   0.00039   0.00013   0.00052   2.19922
   A48        1.96399   0.00000   0.00025   0.00008   0.00034   1.96432
   A49        1.09883   0.00000   0.00014   0.00007   0.00021   1.09903
   A50        1.45877   0.00000   0.00019   0.00006   0.00026   1.45903
   A51        1.56143   0.00000   0.00037   0.00013   0.00050   1.56194
   A52        1.79846   0.00000   0.00050   0.00018   0.00068   1.79914
   A53        1.78373   0.00000   0.00006   0.00002   0.00008   1.78380
   A54        1.71199   0.00000  -0.00010  -0.00002  -0.00012   1.71187
   A55        1.64949   0.00000  -0.00012  -0.00005  -0.00017   1.64933
   A56        1.24975   0.00000  -0.00015  -0.00005  -0.00020   1.24956
   A57        1.21879   0.00000  -0.00006  -0.00004  -0.00010   1.21869
   A58        1.94463   0.00000  -0.00008  -0.00007  -0.00015   1.94449
   A59        1.99449   0.00000  -0.00028  -0.00006  -0.00035   1.99414
   A60        0.83991   0.00000  -0.00003   0.00002  -0.00002   0.83989
   A61        0.77609   0.00000  -0.00009   0.00003  -0.00006   0.77603
   A62        2.60676   0.00000   0.00049   0.00025   0.00074   2.60751
   A63        2.77419   0.00000   0.00047   0.00020   0.00067   2.77486
   A64        2.60971   0.00000  -0.00028  -0.00016  -0.00044   2.60928
   A65        2.39778   0.00000   0.00035   0.00014   0.00049   2.39827
   A66        2.20310   0.00000   0.00022   0.00009   0.00031   2.20340
   A67        0.85721   0.00000   0.00004   0.00008   0.00012   0.85733
   A68        1.23297   0.00000   0.00006   0.00007   0.00013   1.23310
   A69        1.41473   0.00000   0.00021   0.00013   0.00034   1.41508
   A70        1.68699   0.00000   0.00031   0.00018   0.00049   1.68748
   A71        1.52056   0.00000  -0.00005   0.00002  -0.00003   1.52052
   A72        1.72879   0.00000   0.00018   0.00001   0.00019   1.72898
   A73        1.56128   0.00000   0.00013  -0.00002   0.00011   1.56139
   A74        1.13216   0.00000   0.00010  -0.00002   0.00008   1.13224
   A75        1.02384   0.00000   0.00011  -0.00002   0.00009   1.02393
   A76        1.77929   0.00000   0.00010  -0.00005   0.00006   1.77935
   A77        1.77136   0.00000  -0.00018  -0.00004  -0.00022   1.77113
   A78        2.00522   0.00000   0.00067   0.00025   0.00092   2.00615
   A79        1.94729   0.00000   0.00048   0.00016   0.00063   1.94793
   A80        2.22283   0.00000   0.00025   0.00004   0.00029   2.22313
   A81        2.07974   0.00000   0.00010  -0.00004   0.00006   2.07980
   A82        1.55793   0.00000   0.00038   0.00012   0.00050   1.55844
   A83        1.39142   0.00000   0.00022   0.00007   0.00029   1.39172
   A84        1.19647   0.00000   0.00002   0.00001   0.00003   1.19650
   A85        1.38345   0.00000   0.00016   0.00005   0.00021   1.38366
   A86        1.21782   0.00000   0.00027   0.00010   0.00037   1.21819
   A87        1.32642   0.00000   0.00042   0.00017   0.00059   1.32701
   A88        1.81005   0.00000   0.00014   0.00006   0.00020   1.81025
   A89        2.28224   0.00000  -0.00024  -0.00007  -0.00031   2.28194
   A90        2.33132   0.00000  -0.00011  -0.00005  -0.00016   2.33117
   A91        1.93819   0.00000  -0.00008  -0.00003  -0.00011   1.93808
   A92        1.86331   0.00000   0.00009   0.00000   0.00009   1.86340
   A93        2.61885   0.00000   0.00005  -0.00003   0.00002   2.61888
   A94        2.56191   0.00000  -0.00005   0.00002  -0.00003   2.56188
   A95        1.92247   0.00000   0.00071   0.00026   0.00097   1.92344
   A96        2.00069   0.00000   0.00056   0.00018   0.00074   2.00143
   A97        2.37486   0.00000   0.00045   0.00010   0.00055   2.37541
   A98        2.32818   0.00000   0.00025   0.00000   0.00025   2.32843
   A99        1.67011   0.00000   0.00040   0.00012   0.00052   1.67063
   A100       1.57690   0.00000   0.00023   0.00006   0.00029   1.57720
   A101       0.88943   0.00000  -0.00003   0.00000  -0.00003   0.88940
   A102       1.06159   0.00000   0.00013   0.00006   0.00019   1.06178
   A103       0.93371   0.00000   0.00028   0.00011   0.00039   0.93409
   A104       1.09721   0.00000   0.00044   0.00017   0.00061   1.09782
   A105       1.48801   0.00000   0.00011   0.00006   0.00017   1.48818
   A106       2.45754   0.00000  -0.00006  -0.00001  -0.00007   2.45747
   A107       2.33465   0.00000   0.00008   0.00002   0.00010   2.33474
   A108       1.90233   0.00000   0.00007   0.00002   0.00009   1.90241
   A109       1.73217   0.00000   0.00019   0.00005   0.00023   1.73241
   A110       2.45618   0.00000   0.00020   0.00004   0.00024   2.45641
   A111       2.29702   0.00000   0.00002   0.00006   0.00009   2.29711
   A112       0.71341   0.00000   0.00002  -0.00001   0.00001   0.71342
   A113       1.00515   0.00000   0.00005  -0.00001   0.00005   1.00519
   A114       0.69564   0.00000   0.00001   0.00000   0.00002   0.69566
   A115       0.98348   0.00000   0.00003   0.00000   0.00004   0.98352
   A116       1.80623   0.00000   0.00025   0.00008   0.00032   1.80656
   A117       1.42584   0.00000   0.00025   0.00010   0.00035   1.42619
   A118       1.19381   0.00000   0.00025   0.00010   0.00036   1.19416
   A119       0.92007   0.00000   0.00019   0.00008   0.00027   0.92034
   A120       1.24967   0.00000   0.00015   0.00007   0.00022   1.24990
   A121       1.90001   0.00000  -0.00068  -0.00026  -0.00095   1.89906
   A122       1.94641   0.00000  -0.00055  -0.00020  -0.00075   1.94566
   A123       2.30578   0.00000  -0.00037  -0.00014  -0.00051   2.30526
   A124       2.22536   0.00000  -0.00020  -0.00005  -0.00025   2.22511
   A125       1.60418   0.00000  -0.00049  -0.00014  -0.00063   1.60355
   A126       1.47310   0.00000  -0.00017  -0.00009  -0.00025   1.47284
   A127       0.65648   0.00000   0.00008   0.00000   0.00007   0.65655
   A128       0.66079   0.00000   0.00003  -0.00001   0.00002   0.66081
   A129       2.16940   0.00000   0.00023   0.00006   0.00028   2.16969
   A130       1.79739   0.00000   0.00022   0.00008   0.00031   1.79769
   A131       1.50461   0.00000   0.00018   0.00006   0.00024   1.50485
   A132       1.21208   0.00000   0.00012   0.00004   0.00015   1.21223
   A133       1.64280   0.00000   0.00017   0.00008   0.00025   1.64305
   A134       1.74764   0.00000  -0.00071  -0.00024  -0.00095   1.74669
   A135       1.94697   0.00000  -0.00062  -0.00019  -0.00080   1.94617
   A136       2.37683   0.00000  -0.00057  -0.00018  -0.00075   2.37608
   A137       2.45708   0.00000  -0.00040  -0.00010  -0.00050   2.45658
   A138       1.71580   0.00000  -0.00049  -0.00011  -0.00060   1.71519
   A139       1.68142   0.00000  -0.00011  -0.00006  -0.00017   1.68125
   A140       0.70479   0.00000   0.00005  -0.00001   0.00003   0.70482
   A141       0.83152   0.00000   0.00004  -0.00003   0.00001   0.83154
   A142       2.49828   0.00000   0.00028   0.00010   0.00038   2.49867
   A143       2.11935   0.00000   0.00029   0.00012   0.00042   2.11977
   A144       1.90196   0.00000   0.00024   0.00008   0.00033   1.90228
   A145       1.61703   0.00000   0.00017   0.00005   0.00022   1.61725
   A146       1.83744   0.00000   0.00027   0.00013   0.00039   1.83784
   A147       1.32286   0.00000  -0.00073  -0.00023  -0.00095   1.32190
   A148       1.56286   0.00000  -0.00063  -0.00016  -0.00080   1.56206
   A149       1.99371   0.00000  -0.00064  -0.00017  -0.00080   1.99291
   A150       2.17236   0.00000  -0.00056  -0.00012  -0.00068   2.17168
   A151       1.42289   0.00000  -0.00047  -0.00007  -0.00054   1.42235
   A152       1.48696   0.00000  -0.00007  -0.00001  -0.00008   1.48688
   A153       0.76760   0.00000   0.00015   0.00000   0.00015   0.76775
   A154       0.76729   0.00000   0.00015  -0.00001   0.00013   0.76742
   A155       2.80929   0.00000   0.00030   0.00008   0.00038   2.80968
   A156       2.42787   0.00000   0.00031   0.00011   0.00041   2.42828
   A157       2.15988   0.00000   0.00025   0.00005   0.00030   2.16017
   A158       1.86626   0.00000   0.00019   0.00003   0.00021   1.86648
   A159       2.14725   0.00000   0.00026   0.00012   0.00038   2.14763
   A160       1.18814   0.00000  -0.00077  -0.00020  -0.00097   1.18717
   A161       1.51371   0.00000  -0.00069  -0.00014  -0.00083   1.51287
   A162       1.91074   0.00000  -0.00074  -0.00017  -0.00091   1.90983
   A163       2.17069   0.00000  -0.00070  -0.00014  -0.00085   2.16984
   A164       1.49753   0.00000  -0.00049  -0.00005  -0.00054   1.49699
   A165       1.63879   0.00000  -0.00011  -0.00001  -0.00012   1.63867
   A166       2.15858   0.00000   0.00008  -0.00001   0.00008   2.15866
   A167       1.86064   0.00000   0.00008   0.00002   0.00010   1.86074
   A168       1.47503   0.00000   0.00000  -0.00001   0.00000   1.47502
   A169       1.19600   0.00000  -0.00004  -0.00002  -0.00005   1.19594
   A170       1.86802   0.00000   0.00005   0.00003   0.00008   1.86810
   A171       1.95557   0.00000  -0.00062  -0.00019  -0.00081   1.95476
   A172       2.25974   0.00000  -0.00057  -0.00016  -0.00074   2.25900
   A173       2.67696   0.00000  -0.00059  -0.00017  -0.00077   2.67619
   A174       2.10557   0.00000  -0.00046  -0.00010  -0.00056   2.10501
   A175       2.08975   0.00000  -0.00010  -0.00006  -0.00016   2.08959
   A176       2.26806   0.00000   0.00000  -0.00003  -0.00003   2.26804
   A177       2.04907   0.00000   0.00002   0.00000   0.00002   2.04909
   A178       1.63860   0.00000  -0.00006  -0.00003  -0.00010   1.63851
   A179       1.38822   0.00000  -0.00008  -0.00003  -0.00011   1.38811
   A180       2.13474   0.00000   0.00003   0.00002   0.00005   2.13479
   A181       1.88991   0.00000  -0.00052  -0.00015  -0.00068   1.88923
   A182       2.26298   0.00000  -0.00050  -0.00013  -0.00063   2.26235
   A183       2.58494   0.00000  -0.00049  -0.00013  -0.00062   2.58432
   A184       2.24610   0.00000  -0.00040  -0.00008  -0.00048   2.24562
   A185       2.30799   0.00000  -0.00005  -0.00005  -0.00010   2.30789
   A186       0.69161   0.00000   0.00007   0.00000   0.00007   0.69168
   A187       0.98254   0.00000   0.00012   0.00002   0.00014   0.98268
   A188       0.69924   0.00000  -0.00002  -0.00002  -0.00004   0.69920
   A189       2.12521   0.00000   0.00052   0.00018   0.00070   2.12591
   A190       1.74323   0.00000   0.00048   0.00016   0.00064   1.74387
   A191       1.41433   0.00000   0.00051   0.00017   0.00068   1.41501
   A192       1.10905   0.00000   0.00051   0.00017   0.00068   1.10973
   A193       1.62861   0.00000   0.00037   0.00010   0.00048   1.62909
   A194       1.41565   0.00000   0.00012   0.00009   0.00021   1.41585
   A195       0.66710   0.00000   0.00011   0.00003   0.00015   0.66725
   A196       2.26292   0.00000   0.00041   0.00012   0.00053   2.26345
   A197       1.86372   0.00000   0.00039   0.00011   0.00050   1.86422
   A198       1.64688   0.00000   0.00045   0.00013   0.00058   1.64747
   A199       1.32652   0.00000   0.00043   0.00013   0.00056   1.32708
   A200       1.61348   0.00000   0.00027   0.00007   0.00035   1.61383
   A201       1.34620   0.00000   0.00011   0.00007   0.00019   1.34639
   A202       0.71112   0.00000   0.00005   0.00003   0.00008   0.71120
   A203       2.64238   0.00000   0.00037   0.00010   0.00048   2.64286
   A204       2.25824   0.00000   0.00043   0.00012   0.00054   2.25878
   A205       2.05921   0.00000   0.00055   0.00016   0.00071   2.05992
   A206       1.73903   0.00000   0.00053   0.00016   0.00069   1.73972
   A207       1.94962   0.00000   0.00025   0.00007   0.00032   1.94995
   A208       1.66710   0.00000   0.00016   0.00008   0.00024   1.66735
   A209       0.83412   0.00000   0.00005   0.00002   0.00007   0.83419
   A210       2.66246   0.00000  -0.00004  -0.00006  -0.00010   2.66236
   A211       2.37616   0.00000   0.00022   0.00004   0.00026   2.37642
   A212       2.29709   0.00000   0.00050   0.00014   0.00064   2.29773
   A213       1.98062   0.00000   0.00048   0.00015   0.00063   1.98125
   A214       1.99825   0.00000   0.00007   0.00001   0.00008   1.99832
   A215       1.72129   0.00000   0.00009   0.00003   0.00012   1.72141
   A216       1.93188   0.00000   0.00030   0.00006   0.00037   1.93224
   A217       1.56244   0.00000   0.00030   0.00006   0.00036   1.56280
   A218       1.48987   0.00000   0.00034   0.00007   0.00041   1.49028
   A219       1.19695   0.00000   0.00027   0.00007   0.00035   1.19730
   A220       1.23961   0.00000   0.00022   0.00005   0.00027   1.23987
   A221       0.95876   0.00000   0.00012   0.00005   0.00018   0.95893
   A222       0.72545   0.00000   0.00002   0.00002   0.00004   0.72549
   A223       1.01723   0.00000   0.00001   0.00001   0.00002   1.01725
   A224       0.69771   0.00000   0.00007   0.00001   0.00008   0.69778
   A225       0.98125   0.00000   0.00013   0.00000   0.00013   0.98138
   A226       0.65786   0.00000  -0.00002  -0.00001  -0.00003   0.65783
   A227       0.66221   0.00000   0.00004  -0.00001   0.00003   0.66223
   A228       0.70415   0.00000   0.00008  -0.00002   0.00006   0.70421
   A229       0.84959   0.00000  -0.00005  -0.00001  -0.00007   0.84952
   A230       0.75751   0.00000  -0.00002  -0.00003  -0.00005   0.75747
   A231       0.77974   0.00000  -0.00022  -0.00002  -0.00024   0.77950
   A232       1.58941  -0.00001  -0.00002  -0.00004  -0.00006   1.58935
   A233       1.86299   0.00001   0.00032   0.00008   0.00040   1.86339
   A234       2.19027   0.00000  -0.00002   0.00000  -0.00002   2.19025
   A235       2.12915   0.00000   0.00000   0.00002   0.00001   2.12916
   A236       1.96339   0.00000   0.00002  -0.00001   0.00001   1.96340
   A237       2.12377   0.00001   0.00005   0.00000   0.00005   2.12382
   A238       2.12642   0.00000   0.00003   0.00000   0.00003   2.12644
   A239       2.03230   0.00000  -0.00007  -0.00001  -0.00007   2.03223
   A240       1.83043   0.00000  -0.00039   0.00004  -0.00035   1.83009
   A241       2.54375   0.00000   0.00035  -0.00004   0.00032   2.54407
   A242       1.91386   0.00000  -0.00002   0.00004   0.00002   1.91387
   A243       1.91660   0.00000  -0.00008   0.00000  -0.00008   1.91652
   A244       1.91649   0.00000   0.00002  -0.00001   0.00001   1.91650
   A245       1.91004   0.00000   0.00006  -0.00001   0.00006   1.91010
   A246       1.90828   0.00000   0.00004  -0.00001   0.00003   1.90831
   A247       1.89845   0.00000  -0.00002  -0.00002  -0.00003   1.89842
   A248       1.28438   0.00000   0.00009   0.00003   0.00012   1.28450
   A249       1.90418   0.00000   0.00000   0.00001   0.00001   1.90420
   A250       1.90920   0.00000   0.00003   0.00001   0.00004   1.90924
   A251       1.92812   0.00000  -0.00008   0.00002  -0.00006   1.92806
   A252       1.91112   0.00000   0.00003  -0.00003   0.00001   1.91112
   A253       1.89802   0.00000   0.00002  -0.00002   0.00000   1.89802
   A254       1.91308   0.00000   0.00000  -0.00001   0.00000   1.91308
   A255       1.72405   0.00000  -0.00002  -0.00002  -0.00005   1.72401
   A256       1.76420   0.00000   0.00011   0.00001   0.00013   1.76432
   A257       2.19159   0.00000   0.00002   0.00001   0.00003   2.19162
   A258       2.12956   0.00000  -0.00002  -0.00002  -0.00004   2.12952
   A259       1.96182   0.00000  -0.00001   0.00001   0.00001   1.96183
   A260       2.12554   0.00000  -0.00004   0.00001  -0.00003   2.12551
   A261       2.12276   0.00000  -0.00004   0.00002  -0.00002   2.12274
   A262       2.03460   0.00000   0.00008  -0.00003   0.00006   2.03465
   A263       1.36030   0.00000   0.00032   0.00012   0.00044   1.36074
   A264       1.90103   0.00000   0.00008   0.00001   0.00009   1.90112
   A265       1.93094   0.00000  -0.00003  -0.00001  -0.00003   1.93090
   A266       1.90967   0.00000  -0.00004   0.00002  -0.00002   1.90964
   A267       1.89672   0.00000  -0.00001  -0.00001  -0.00002   1.89671
   A268       1.91394   0.00000  -0.00003   0.00001  -0.00002   1.91392
   A269       1.91142   0.00000   0.00002  -0.00002   0.00000   1.91142
   A270       2.67288   0.00000   0.00016   0.00004   0.00020   2.67308
   A271       1.69018   0.00000  -0.00014  -0.00005  -0.00019   1.68999
   A272       1.92497   0.00000  -0.00002   0.00002   0.00001   1.92497
   A273       1.91264   0.00000   0.00001  -0.00001   0.00000   1.91264
   A274       1.91376   0.00000  -0.00002   0.00001  -0.00001   1.91376
   A275       1.89416   0.00000   0.00005  -0.00002   0.00003   1.89419
   A276       1.91103   0.00000   0.00000   0.00000   0.00001   1.91104
   A277       1.90708   0.00000  -0.00004   0.00000  -0.00004   1.90704
   A278       1.81097   0.00001   0.00076   0.00016   0.00092   1.81189
   A279       1.75123   0.00000  -0.00058  -0.00010  -0.00068   1.75055
   A280       2.18982   0.00000   0.00002   0.00001   0.00003   2.18985
   A281       2.13061  -0.00001   0.00001  -0.00003  -0.00002   2.13059
   A282       1.96268   0.00000  -0.00003   0.00002  -0.00001   1.96267
   A283       2.12289   0.00000   0.00002  -0.00001   0.00001   2.12291
   A284       2.11491   0.00000  -0.00001   0.00000  -0.00001   2.11490
   A285       2.04247   0.00000  -0.00003   0.00001  -0.00002   2.04245
   A286       2.70148   0.00000   0.00005   0.00010   0.00014   2.70162
   A287       1.65745   0.00000  -0.00009  -0.00012  -0.00020   1.65725
   A288       1.92628   0.00000  -0.00002   0.00000  -0.00002   1.92626
   A289       1.91495   0.00000   0.00006   0.00004   0.00010   1.91504
   A290       1.91225   0.00000   0.00000  -0.00001  -0.00001   1.91224
   A291       1.89115   0.00000  -0.00010  -0.00002  -0.00012   1.89103
   A292       1.91256   0.00000   0.00000   0.00000   0.00000   1.91256
   A293       1.90644   0.00000   0.00006  -0.00002   0.00005   1.90649
   A294       1.34824   0.00001   0.00031   0.00002   0.00033   1.34857
   A295       1.15548   0.00000   0.00003   0.00000   0.00003   1.15551
   A296       1.93321   0.00000   0.00003  -0.00002   0.00001   1.93322
   A297       1.90719   0.00001   0.00003   0.00002   0.00005   1.90724
   A298       1.90176   0.00000   0.00000   0.00001   0.00000   1.90176
   A299       1.90928  -0.00001  -0.00004   0.00000  -0.00004   1.90924
   A300       1.89856   0.00000  -0.00001   0.00000   0.00000   1.89855
   A301       1.91376   0.00000  -0.00002   0.00000  -0.00002   1.91374
   A302       1.64625   0.00001   0.00008  -0.00008  -0.00001   1.64624
   A303       1.80615   0.00000  -0.00003  -0.00001  -0.00004   1.80611
   A304       2.18912   0.00000  -0.00009   0.00004  -0.00005   2.18907
   A305       2.13019   0.00000   0.00007  -0.00003   0.00004   2.13023
   A306       1.96352   0.00000   0.00002  -0.00001   0.00001   1.96352
   A307       2.12506   0.00000  -0.00006   0.00000  -0.00006   2.12500
   A308       2.12392   0.00000   0.00000   0.00002   0.00002   2.12395
   A309       2.03074   0.00000   0.00005  -0.00003   0.00002   2.03076
   A310       1.30062   0.00000  -0.00037   0.00000  -0.00037   1.30025
   A311       3.04953  -0.00001   0.00054  -0.00005   0.00049   3.05002
   A312       1.91187   0.00000   0.00006  -0.00001   0.00005   1.91193
   A313       1.93026   0.00000   0.00009   0.00003   0.00012   1.93038
   A314       1.90195  -0.00001  -0.00005  -0.00003  -0.00008   1.90187
   A315       1.91105   0.00000  -0.00015   0.00003  -0.00012   1.91093
   A316       1.91176   0.00000   0.00000   0.00003   0.00003   1.91179
   A317       1.89679   0.00000   0.00005  -0.00006  -0.00001   1.89678
   A318       1.78348   0.00000  -0.00079   0.00011  -0.00068   1.78280
   A319       1.91581   0.00000  -0.00006   0.00003  -0.00002   1.91578
   A320       1.91409   0.00000  -0.00005  -0.00003  -0.00007   1.91402
   A321       1.92057   0.00000   0.00006  -0.00001   0.00005   1.92062
   A322       1.90712   0.00000  -0.00008   0.00003  -0.00005   1.90707
   A323       1.91049   0.00000   0.00009  -0.00002   0.00006   1.91056
   A324       1.89556   0.00000   0.00004  -0.00001   0.00004   1.89560
   A325       2.93619   0.00000  -0.00013  -0.00011  -0.00024   2.93596
   A326       3.36583   0.00000   0.00003  -0.00001   0.00002   3.36586
   A327       3.08404   0.00000  -0.00003  -0.00002  -0.00005   3.08399
   A328       3.19746   0.00000   0.00009   0.00003   0.00012   3.19757
   A329       3.27172   0.00000   0.00034   0.00011   0.00044   3.27217
   A330       3.25751   0.00001   0.00028   0.00001   0.00029   3.25781
   A331       3.69398   0.00000  -0.00071   0.00009  -0.00062   3.69336
   A332       3.22307   0.00000   0.00047   0.00020   0.00067   3.22374
   A333       2.97271   0.00000  -0.00068  -0.00020  -0.00088   2.97183
   A334       2.90684   0.00000  -0.00050  -0.00014  -0.00064   2.90621
   A335       3.22967   0.00000  -0.00017   0.00004  -0.00013   3.22955
   A336       3.07625   0.00000  -0.00010   0.00000  -0.00010   3.07614
   A337       3.10456   0.00000   0.00018   0.00001   0.00019   3.10475
   A338       3.04605   0.00000   0.00003   0.00002   0.00005   3.04610
    D1        2.75798   0.00000   0.00004   0.00002   0.00006   2.75804
    D2       -1.36130   0.00000   0.00010   0.00004   0.00014  -1.36117
    D3        2.78086   0.00000  -0.00016   0.00002  -0.00014   2.78073
    D4       -1.33842   0.00000  -0.00010   0.00004  -0.00006  -1.33848
    D5        1.66189   0.00000   0.00001   0.00001   0.00002   1.66191
    D6       -2.45739   0.00000   0.00007   0.00003   0.00010  -2.45729
    D7        1.84293   0.00000   0.00001   0.00000   0.00001   1.84294
    D8       -2.27635   0.00000   0.00007   0.00002   0.00008  -2.27627
    D9        0.31019  -0.00001  -0.00096  -0.00035  -0.00131   0.30888
   D10        2.47409   0.00000  -0.00090  -0.00033  -0.00123   2.47285
   D11        0.02667   0.00000  -0.00066  -0.00022  -0.00088   0.02579
   D12        2.19057   0.00000  -0.00060  -0.00020  -0.00080   2.18977
   D13       -0.44221   0.00000  -0.00063  -0.00018  -0.00080  -0.44301
   D14        1.72169   0.00000  -0.00057  -0.00016  -0.00072   1.72097
   D15       -0.56225   0.00000  -0.00051  -0.00010  -0.00061  -0.56287
   D16        1.60164   0.00000  -0.00045  -0.00009  -0.00054   1.60111
   D17        0.20901   0.00000  -0.00034  -0.00010  -0.00045   0.20857
   D18        2.37291   0.00000  -0.00028  -0.00008  -0.00037   2.37255
   D19        0.14315   0.00000  -0.00016  -0.00004  -0.00020   0.14294
   D20        2.30704   0.00000  -0.00010  -0.00002  -0.00012   2.30692
   D21        2.39663   0.00000  -0.00017  -0.00007  -0.00024   2.39638
   D22       -1.72266   0.00000  -0.00011  -0.00006  -0.00017  -1.72283
   D23        2.15399   0.00000  -0.00007  -0.00002  -0.00009   2.15390
   D24       -1.96530   0.00000  -0.00001   0.00000  -0.00001  -1.96530
   D25        1.71090   0.00000  -0.00024  -0.00008  -0.00032   1.71058
   D26       -2.40839   0.00000  -0.00018  -0.00006  -0.00024  -2.40863
   D27        1.40398   0.00000  -0.00033  -0.00010  -0.00043   1.40355
   D28       -2.71531   0.00000  -0.00027  -0.00008  -0.00035  -2.71566
   D29        2.36604   0.00000   0.00016   0.00009   0.00025   2.36629
   D30       -1.75325   0.00000   0.00023   0.00011   0.00033  -1.75291
   D31       -1.74972   0.00000   0.00030   0.00010   0.00040  -1.74932
   D32        0.41417   0.00000   0.00036   0.00012   0.00048   0.41466
   D33       -2.09977   0.00000   0.00030   0.00008   0.00038  -2.09939
   D34        0.06413   0.00000   0.00036   0.00010   0.00046   0.06459
   D35       -2.47492   0.00000   0.00029   0.00008   0.00037  -2.47456
   D36       -0.31103   0.00000   0.00035   0.00010   0.00045  -0.31058
   D37       -2.76370   0.00000   0.00034   0.00010   0.00043  -2.76326
   D38       -0.59980   0.00000   0.00040   0.00012   0.00051  -0.59929
   D39       -2.12521   0.00000   0.00033   0.00007   0.00040  -2.12481
   D40        0.03869   0.00000   0.00040   0.00009   0.00048   0.03917
   D41       -2.36710   0.00000   0.00014   0.00011   0.00025  -2.36685
   D42       -0.20320   0.00000   0.00020   0.00013   0.00033  -0.20287
   D43        1.26299   0.00000   0.00026   0.00003   0.00029   1.26328
   D44       -1.92864   0.00000   0.00041  -0.00015   0.00026  -1.92837
   D45        2.45729   0.00000   0.00023   0.00002   0.00025   2.45754
   D46       -0.73434   0.00000   0.00038  -0.00016   0.00022  -0.73412
   D47        2.94293   0.00000   0.00024   0.00000   0.00025   2.94318
   D48       -0.24870   0.00000   0.00039  -0.00018   0.00022  -0.24848
   D49        2.86663   0.00000   0.00020  -0.00001   0.00019   2.86682
   D50       -0.32500   0.00000   0.00036  -0.00019   0.00017  -0.32483
   D51        2.04192   0.00000  -0.00066  -0.00029  -0.00096   2.04097
   D52       -1.14970   0.00000  -0.00051  -0.00047  -0.00098  -1.15069
   D53        1.14729   0.00000  -0.00102  -0.00034  -0.00135   1.14594
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   D278       1.56145   0.00000   0.00008   0.00005   0.00012   1.56158
   D279      -1.80835   0.00000  -0.00032  -0.00013  -0.00045  -1.80880
   D280       0.80254   0.00000  -0.00007   0.00003  -0.00004   0.80250
   D281      -2.56726   0.00000  -0.00047  -0.00015  -0.00062  -2.56788
   D282       0.77764   0.00000   0.00029   0.00006   0.00035   0.77800
   D283      -2.59216   0.00000  -0.00011  -0.00011  -0.00022  -2.59238
   D284       1.57504   0.00000  -0.00051  -0.00022  -0.00073   1.57431
   D285      -2.64056   0.00000  -0.00074  -0.00023  -0.00097  -2.64153
   D286       1.63718   0.00000  -0.00046  -0.00018  -0.00064   1.63655
   D287      -2.57841   0.00000  -0.00069  -0.00019  -0.00088  -2.57929
   D288       1.32667   0.00000  -0.00045  -0.00018  -0.00064   1.32603
   D289      -2.88893   0.00000  -0.00069  -0.00019  -0.00088  -2.88981
   D290       1.23885   0.00000  -0.00028  -0.00017  -0.00045   1.23840
   D291      -2.97675   0.00000  -0.00052  -0.00018  -0.00070  -2.97744
   D292       2.03392   0.00000  -0.00038  -0.00016  -0.00055   2.03337
   D293      -2.18168   0.00000  -0.00061  -0.00018  -0.00079  -2.18247
   D294       2.01610   0.00000  -0.00037  -0.00014  -0.00051   2.01559
   D295      -2.19949   0.00000  -0.00060  -0.00016  -0.00075  -2.20025
   D296      -2.29361   0.00000   0.00032   0.00009   0.00041  -2.29320
   D297      -0.22602   0.00000   0.00009   0.00008   0.00017  -0.22585
   D298      -2.27020   0.00000   0.00019   0.00003   0.00023  -2.26997
   D299      -0.20261   0.00000  -0.00004   0.00002  -0.00002  -0.20263
   D300      -1.88312   0.00000   0.00018   0.00000   0.00018  -1.88294
   D301       0.18447   0.00000  -0.00005  -0.00001  -0.00006   0.18441
   D302      -1.82008   0.00000   0.00025  -0.00001   0.00023  -1.81984
   D303       0.24751   0.00000   0.00001  -0.00002  -0.00001   0.24750
   D304      -2.61757   0.00000   0.00009   0.00000   0.00008  -2.61748
   D305      -0.54998   0.00000  -0.00015  -0.00002  -0.00016  -0.55014
   D306      -2.74153   0.00000  -0.00002  -0.00004  -0.00006  -2.74159
   D307      -0.67394   0.00000  -0.00026  -0.00005  -0.00030  -0.67424
   D308       1.52813   0.00000   0.00001   0.00003   0.00004   1.52817
   D309      -2.68746   0.00000  -0.00023   0.00002  -0.00021  -2.68767
   D310       2.62859   0.00000   0.00011   0.00002   0.00012   2.62871
   D311      -1.58701   0.00000  -0.00013   0.00001  -0.00012  -1.58713
   D312       3.01337   0.00000   0.00018   0.00005   0.00023   3.01360
   D313      -1.20222   0.00000  -0.00006   0.00004  -0.00002  -1.20224
   D314      -0.48191   0.00000  -0.00046  -0.00019  -0.00065  -0.48256
   D315       1.58568   0.00000  -0.00069  -0.00020  -0.00089   1.58479
   D316      -0.32284   0.00000  -0.00040  -0.00015  -0.00055  -0.32338
   D317       1.74475   0.00000  -0.00063  -0.00016  -0.00079   1.74396
   D318       0.10432   0.00000  -0.00038  -0.00015  -0.00053   0.10380
   D319       2.17191   0.00000  -0.00061  -0.00016  -0.00077   2.17114
   D320       0.23808   0.00000  -0.00048  -0.00016  -0.00063   0.23745
   D321       2.30567   0.00000  -0.00071  -0.00017  -0.00088   2.30480
   D322      -0.57066   0.00000  -0.00038  -0.00011  -0.00049  -0.57115
   D323       1.49693   0.00000  -0.00061  -0.00012  -0.00073   1.49620
   D324      -0.61470   0.00000  -0.00006  -0.00009  -0.00015  -0.61486
   D325       1.45289   0.00000  -0.00029  -0.00010  -0.00040   1.45249
   D326       0.09121   0.00000  -0.00007   0.00011   0.00004   0.09125
   D327       2.26292   0.00000   0.00003   0.00005   0.00008   2.26300
   D328       0.39478   0.00000  -0.00015   0.00008  -0.00007   0.39471
   D329       2.56649   0.00000  -0.00006   0.00002  -0.00004   2.56646
   D330       0.76259   0.00000  -0.00006   0.00011   0.00005   0.76265
   D331       2.93431   0.00000   0.00003   0.00005   0.00009   2.93439
   D332       1.04250   0.00000  -0.00003   0.00011   0.00008   1.04258
   D333      -3.06897   0.00000   0.00007   0.00005   0.00011  -3.06886
   D334       0.32751   0.00000  -0.00036   0.00002  -0.00034   0.32717
   D335       2.49922   0.00000  -0.00027  -0.00004  -0.00031   2.49891
   D336       0.71912   0.00000  -0.00054  -0.00005  -0.00058   0.71854
   D337       2.89084   0.00000  -0.00044  -0.00011  -0.00055   2.89029
   D338      -2.32282   0.00000   0.00007   0.00016   0.00023  -2.32259
   D339      -0.15110   0.00000   0.00017   0.00009   0.00026  -0.15084
   D340      -1.94716   0.00000   0.00000   0.00014   0.00014  -1.94701
   D341       0.22456   0.00000   0.00010   0.00008   0.00018   0.22474
   D342      -1.89708   0.00000   0.00002   0.00019   0.00021  -1.89687
   D343       0.27463   0.00000   0.00012   0.00013   0.00025   0.27488
   D344      -1.59713   0.00000   0.00008   0.00021   0.00029  -1.59683
   D345       0.57459   0.00000   0.00017   0.00015   0.00033   0.57491
   D346      -1.58042   0.00000  -0.00011   0.00009  -0.00002  -1.58043
   D347       0.59130   0.00000  -0.00001   0.00003   0.00002   0.59131
   D348      -1.28004   0.00000  -0.00012   0.00008  -0.00004  -1.28009
   D349       0.89167   0.00000  -0.00003   0.00002  -0.00001   0.89166
   D350       1.86427   0.00000  -0.00004   0.00015   0.00011   1.86438
   D351      -2.24720   0.00000   0.00006   0.00009   0.00015  -2.24706
   D352       2.30455   0.00000   0.00016   0.00019   0.00035   2.30490
   D353      -1.80692   0.00000   0.00025   0.00013   0.00038  -1.80654
   D354       2.57671   0.00000   0.00077   0.00041   0.00119   2.57790
   D355      -1.53476   0.00000   0.00087   0.00035   0.00122  -1.53354
   D356      -3.07390   0.00000   0.00116   0.00051   0.00167  -3.07223
   D357      -0.90219   0.00000   0.00126   0.00045   0.00171  -0.90048
   D358       2.61910   0.00000   0.00004   0.00014   0.00018   2.61928
   D359      -1.49237   0.00000   0.00013   0.00008   0.00021  -1.49216
   D360       1.63800   0.00000  -0.00015   0.00007  -0.00008   1.63792
   D361      -2.47347   0.00000  -0.00006   0.00001  -0.00004  -2.47352
   D362       1.81298   0.00000  -0.00005   0.00008   0.00003   1.81301
   D363      -2.29849   0.00000   0.00005   0.00002   0.00007  -2.29843
   D364       2.74993   0.00000  -0.00008   0.00003  -0.00006   2.74987
   D365      -1.36154   0.00000   0.00001  -0.00004  -0.00002  -1.36157
   D366       2.74985   0.00000  -0.00035   0.00005  -0.00030   2.74955
   D367      -1.36162   0.00000  -0.00026  -0.00001  -0.00027  -1.36189
   D368       0.06302   0.00000  -0.00043  -0.00003  -0.00046   0.06256
   D369      -2.38197   0.00000   0.00145   0.00012   0.00157  -2.38040
   D370       0.46238   0.00000  -0.00042  -0.00003  -0.00045   0.46193
   D371      -1.98261   0.00000   0.00145   0.00013   0.00158  -1.98103
   D372       0.67574   0.00000  -0.00024   0.00002  -0.00022   0.67552
   D373      -1.76925   0.00000   0.00163   0.00017   0.00181  -1.76744
   D374       0.94645   0.00000  -0.00006   0.00004  -0.00002   0.94642
   D375      -1.49854   0.00000   0.00182   0.00019   0.00200  -1.49654
   D376       0.70339   0.00000  -0.00055  -0.00007  -0.00062   0.70277
   D377      -1.74160   0.00000   0.00132   0.00008   0.00141  -1.74020
   D378       1.04476   0.00000  -0.00051  -0.00006  -0.00057   1.04419
   D379      -1.40023   0.00000   0.00137   0.00009   0.00146  -1.39878
   D380      -2.73656   0.00000   0.00055   0.00030   0.00084  -2.73572
   D381       1.10163   0.00000   0.00242   0.00045   0.00287   1.10450
   D382      -2.19302   0.00000   0.00035   0.00022   0.00058  -2.19245
   D383       1.64517   0.00000   0.00223   0.00037   0.00260   1.64778
   D384      -1.95656   0.00000   0.00014   0.00019   0.00033  -1.95623
   D385       1.88164   0.00000   0.00202   0.00034   0.00236   1.88399
   D386      -1.62877   0.00000   0.00002   0.00016   0.00018  -1.62859
   D387       2.20943   0.00000   0.00190   0.00031   0.00220   2.21163
   D388      -1.69616   0.00000  -0.00001   0.00008   0.00006  -1.69609
   D389       2.14204   0.00000   0.00186   0.00023   0.00209   2.14413
   D390      -1.12695   0.00000  -0.00047  -0.00005  -0.00052  -1.12747
   D391       2.71125   0.00000   0.00141   0.00010   0.00150   2.71275
   D392       1.79917   0.00000  -0.00024   0.00004  -0.00020   1.79898
   D393      -0.64582   0.00000   0.00164   0.00019   0.00183  -0.64399
   D394       2.10253   0.00000  -0.00021   0.00004  -0.00017   2.10236
   D395      -0.34246   0.00000   0.00167   0.00019   0.00185  -0.34060
   D396       2.05754   0.00000  -0.00012   0.00008  -0.00004   2.05750
   D397      -0.38745   0.00000   0.00176   0.00023   0.00198  -0.38547
   D398       2.26929   0.00000   0.00016   0.00019   0.00034   2.26963
   D399      -0.17570   0.00000   0.00203   0.00034   0.00237  -0.17333
   D400       2.49964   0.00000  -0.00028   0.00002  -0.00025   2.49938
   D401       0.05464   0.00000   0.00160   0.00017   0.00177   0.05642
   D402      -1.53674   0.00000  -0.00026   0.00001  -0.00025  -1.53699
   D403       2.30146   0.00000   0.00162   0.00016   0.00177   2.30323
   D404      -2.63350   0.00000  -0.00031   0.00000  -0.00032  -2.63382
   D405       1.20469   0.00000   0.00156   0.00015   0.00171   1.20640
   D406      -2.98288   0.00000  -0.00052   0.00001  -0.00051  -2.98338
   D407       0.85532   0.00000   0.00136   0.00016   0.00152   0.85684
   D408       1.91501   0.00000   0.00024   0.00002   0.00026   1.91527
   D409       2.41265   0.00000   0.00013  -0.00002   0.00011   2.41276
   D410       2.64364   0.00000   0.00033   0.00003   0.00035   2.64399
   D411       2.87637   0.00000   0.00053   0.00004   0.00057   2.87694
   D412       2.84395   0.00000  -0.00015  -0.00014  -0.00029   2.84366
   D413      -2.94140   0.00000   0.00015  -0.00007   0.00008  -2.94132
   D414      -0.74531   0.00000   0.00088   0.00022   0.00110  -0.74420
   D415      -0.36592   0.00000   0.00087   0.00021   0.00108  -0.36483
   D416      -0.05317   0.00000   0.00092   0.00024   0.00116  -0.05201
   D417       0.25487   0.00000   0.00094   0.00023   0.00117   0.25604
   D418      -0.23568   0.00000   0.00079   0.00017   0.00096  -0.23472
   D419       0.07281   0.00000   0.00069   0.00014   0.00083   0.07364
   D420      -2.55406   0.00000   0.00065   0.00015   0.00080  -2.55327
   D421      -2.17237   0.00000   0.00064   0.00012   0.00077  -2.17161
   D422      -1.92291   0.00000   0.00084   0.00018   0.00102  -1.92189
   D423      -1.60744   0.00000   0.00096   0.00022   0.00118  -1.60626
   D424      -1.96339   0.00000   0.00049   0.00009   0.00058  -1.96281
   D425       1.30761   0.00000   0.00035  -0.00003   0.00032   1.30793
   D426       2.47272   0.00000   0.00027   0.00001   0.00028   2.47300
   D427       2.94878   0.00000   0.00031   0.00002   0.00033   2.94911
   D428      -3.07260   0.00001   0.00008   0.00016   0.00025  -3.07235
   D429       0.02732   0.00001   0.00048  -0.00002   0.00046   0.02778
   D430       0.04009   0.00001   0.00010   0.00025   0.00035   0.04044
   D431       3.14001   0.00001   0.00049   0.00007   0.00056   3.14057
   D432      -0.08406   0.00000   0.00079  -0.00017   0.00061  -0.08345
   D433       2.01529   0.00000   0.00080  -0.00016   0.00064   2.01593
   D434      -2.18117   0.00000   0.00074  -0.00018   0.00056  -2.18061
   D435       3.09707   0.00000   0.00041   0.00000   0.00041   3.09748
   D436      -1.08676   0.00000   0.00042   0.00001   0.00044  -1.08632
   D437       0.99996   0.00000   0.00037  -0.00001   0.00035   1.00031
   D438      -2.36801   0.00000  -0.00038   0.00011  -0.00027  -2.36827
   D439      -0.27781   0.00000  -0.00032   0.00010  -0.00022  -0.27804
   D440       1.82957   0.00000  -0.00035   0.00011  -0.00024   1.82933
   D441       0.73398   0.00000   0.00000  -0.00006  -0.00006   0.73392
   D442       2.82418   0.00000   0.00006  -0.00008  -0.00002   2.82416
   D443      -1.35163   0.00000   0.00003  -0.00006  -0.00003  -1.35166
   D444      -0.00070   0.00000  -0.00015  -0.00008  -0.00023  -0.00092
   D445       3.11422   0.00000  -0.00003  -0.00004  -0.00007   3.11415
   D446      -3.12051   0.00000  -0.00015  -0.00006  -0.00022  -3.12073
   D447      -0.00559   0.00000  -0.00004  -0.00002  -0.00006  -0.00566
   D448       2.41763   0.00000  -0.00032  -0.00007  -0.00038   2.41725
   D449      -1.78180   0.00000  -0.00029  -0.00008  -0.00037  -1.78216
   D450       0.32562   0.00000  -0.00030  -0.00010  -0.00040   0.32521
   D451      -0.69857   0.00000  -0.00042  -0.00011  -0.00053  -0.69910
   D452       1.38519   0.00000  -0.00039  -0.00012  -0.00052   1.38468
   D453      -2.79058   0.00000  -0.00041  -0.00014  -0.00055  -2.79113
   D454       2.05390   0.00000  -0.00028  -0.00002  -0.00030   2.05360
   D455      -2.14508   0.00000  -0.00021  -0.00004  -0.00026  -2.14533
   D456      -0.05188   0.00000  -0.00026  -0.00005  -0.00031  -0.05219
   D457      -1.11305   0.00000  -0.00017   0.00002  -0.00015  -1.11320
   D458       0.97116   0.00000  -0.00010   0.00000  -0.00011   0.97105
   D459       3.06436   0.00000  -0.00015  -0.00001  -0.00016   3.06420
   D460      -3.08330   0.00001   0.00064   0.00005   0.00070  -3.08260
   D461      -0.02596   0.00001   0.00034  -0.00004   0.00030  -0.02566
   D462       0.07124   0.00000   0.00054   0.00018   0.00072   0.07196
   D463       3.12858  -0.00001   0.00023   0.00009   0.00033   3.12891
   D464       1.93023   0.00000  -0.00009  -0.00026  -0.00035   1.92988
   D465      -2.27020   0.00000  -0.00019  -0.00026  -0.00045  -2.27065
   D466      -0.17730   0.00000  -0.00008  -0.00026  -0.00034  -0.17764
   D467      -1.13045   0.00000   0.00020  -0.00018   0.00003  -1.13042
   D468       0.95231   0.00000   0.00010  -0.00017  -0.00007   0.95224
   D469       3.04521   0.00000   0.00021  -0.00017   0.00004   3.04525
   D470      -1.63261   0.00000   0.00026   0.00023   0.00049  -1.63212
   D471       0.47197  -0.00001   0.00026   0.00022   0.00047   0.47245
   D472       2.56273   0.00000   0.00025   0.00023   0.00048   2.56321
   D473       1.42846   0.00000  -0.00003   0.00014   0.00011   1.42858
   D474      -2.75014  -0.00001  -0.00003   0.00013   0.00010  -2.75004
   D475      -0.65939   0.00000  -0.00004   0.00015   0.00011  -0.65928
   D476       0.00359   0.00000  -0.00003  -0.00006  -0.00010   0.00349
   D477      -3.04533   0.00000   0.00008   0.00005   0.00013  -3.04520
   D478       3.11672   0.00000   0.00001  -0.00005  -0.00004   3.11668
   D479       0.06780   0.00000   0.00012   0.00006   0.00018   0.06798
   D480      -0.30791   0.00000  -0.00058   0.00017  -0.00041  -0.30831
   D481       1.80004   0.00000  -0.00067   0.00023  -0.00044   1.79960
   D482      -2.39914   0.00000  -0.00058   0.00016  -0.00043  -2.39957
   D483       2.74570   0.00000  -0.00069   0.00007  -0.00062   2.74508
   D484      -1.42954   0.00000  -0.00078   0.00013  -0.00065  -1.43019
   D485       0.65446   0.00000  -0.00069   0.00006  -0.00064   0.65382
   D486      -0.09036   0.00000   0.00080  -0.00023   0.00057  -0.08979
   D487       2.00506   0.00000   0.00064  -0.00019   0.00045   2.00550
   D488      -2.19399   0.00000   0.00070  -0.00022   0.00048  -2.19352
   D489       3.13916   0.00000   0.00092  -0.00013   0.00078   3.13995
   D490      -1.04861   0.00000   0.00075  -0.00009   0.00066  -1.04795
   D491       1.03553   0.00000   0.00081  -0.00012   0.00069   1.03622
         Item               Value     Threshold  Converged?
 Maximum Force            0.000014     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.005013     0.001800     NO 
 RMS     Displacement     0.000577     0.001200     YES
 Predicted change in Energy=-6.659853D-08
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:29:11 2016, MaxMem=  2952790016 cpu:         8.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.819617   -0.586724    1.668137
      2          6           0       -2.070839    1.118748   -1.366360
      3          8           0       -2.619896    0.138250   -1.898504
      4          7           0       -0.778252    1.167484   -0.943806
      5          1           0       -2.620212    2.059155   -1.160058
      6          6           0       -0.240159    2.337836   -0.249679
      7          1           0       -0.997827    3.133317   -0.224355
      8          1           0        0.039733    2.064959    0.780678
      9          1           0        0.656533    2.704433   -0.775541
     10          6           0        0.133456    0.033476   -1.113445
     11          1           0        0.700475   -0.115666   -0.181244
     12          1           0       -0.447326   -0.870773   -1.337767
     13          1           0        0.844316    0.229525   -1.933102
     14          6           0       -2.013132   -3.994522    2.629993
     15          8           0       -2.138904   -3.838546    3.856629
     16          7           0       -2.949228   -3.683660    1.692326
     17          1           0       -1.082756   -4.395816    2.181174
     18          6           0       -4.247932   -3.112901    2.058158
     19          1           0       -4.503143   -2.316655    1.340831
     20          1           0       -5.035085   -3.884573    2.023935
     21          1           0       -4.189788   -2.693112    3.070516
     22          6           0       -2.696228   -3.872567    0.263521
     23          1           0       -3.404547   -4.605457   -0.156564
     24          1           0       -2.828938   -2.914242   -0.265184
     25          1           0       -1.667658   -4.229545    0.114390
     26          6           0        1.569643    0.371596    2.606322
     27          8           0        1.408872    1.390965    3.298577
     28          7           0        1.182064   -0.886573    2.951381
     29          1           0        2.048722    0.407927    1.608036
     30          6           0        1.478656   -2.041053    2.102361
     31          1           0        2.226808   -2.691291    2.586213
     32          1           0        0.561008   -2.629051    1.940382
     33          1           0        1.863018   -1.695639    1.132860
     34          6           0        0.541275   -1.155871    4.241198
     35          1           0        1.289300   -1.457346    4.994281
     36          1           0        0.023038   -0.251287    4.584175
     37          1           0       -0.184131   -1.972613    4.116157
     38          6           0       -4.608362    1.088423    2.905071
     39          8           0       -4.855144    1.664765    1.831785
     40          7           0       -3.539392    1.341348    3.708782
     41          1           0       -5.248562    0.271681    3.295065
     42          6           0       -2.543463    2.361451    3.369273
     43          1           0       -2.622096    2.611029    2.303083
     44          1           0       -2.698800    3.271209    3.972427
     45          1           0       -1.538812    1.965195    3.581414
     46          6           0       -3.262150    0.532759    4.896401
     47          1           0       -4.073710   -0.191506    5.050501
     48          1           0       -2.310606   -0.009669    4.762478
     49          1           0       -3.175456    1.181259    5.782993
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489974   0.000000
     3  O    3.726522   1.243389   0.000000
     4  N    3.314202   1.360775   2.315691   0.000000
     5  H    3.954784   1.108484   2.057955   2.057829   0.000000
     6  C    3.837415   2.466686   3.635925   1.463243   2.563417
     7  H    4.253889   2.552257   3.795300   2.104833   2.159050
     8  H    3.358003   3.155883   4.238378   2.109124   3.292688
     9  H    4.789008   3.209676   4.310606   2.109297   3.361740
    10  C    3.454901   2.469959   2.865003   1.464911   3.418807
    11  H    3.161166   3.257063   3.746774   2.101097   4.088385
    12  H    3.316523   2.568036   2.460207   2.102192   3.652054
    13  H    4.553210   3.100007   3.465587   2.119245   3.993507
    14  C    3.546223   6.489969   6.160783   6.398693   7.167987
    15  O    3.932657   7.201320   7.011977   7.067948   7.757686
    16  N    3.296607   5.761099   5.254477   5.932616   6.420614
    17  H    3.913484   6.631118   6.290019   6.388156   7.429284
    18  C    3.525678   5.862927   5.373608   6.274724   6.305280
    19  H    3.209532   5.004696   4.479561   5.588703   5.380296
    20  H    4.619701   6.731574   6.115699   7.242334   7.162216
    21  H    3.467167   6.221422   5.930627   6.531276   6.553272
    22  C    3.679423   5.287802   4.557064   5.526155   6.100630
    23  H    4.689537   6.000743   5.113980   6.390933   6.785222
    24  H    3.189640   4.248802   3.468306   4.618044   5.057573
    25  H    3.963252   5.564119   4.902666   5.571242   6.486858
    26  C    3.644948   5.439995   6.156309   4.330064   5.881187
    27  O    4.122223   5.826159   6.694021   4.778207   6.046439
    28  N    3.278218   5.765898   6.247123   4.820215   6.327603
    29  H    3.994620   5.130602   5.845044   3.883375   5.673433
    30  C    3.630734   5.883476   6.128165   4.966636   6.652504
    31  H    4.652486   6.972016   7.183977   6.031713   7.752090
    32  H    3.148427   5.648642   5.702030   4.952356   6.458496
    33  H    3.883042   5.444456   5.713916   4.414331   6.281346
    34  C    3.538132   6.591035   7.025930   5.832957   7.035976
    35  H    4.635362   7.640978   8.083206   6.813617   8.094811
    36  H    3.465714   6.455245   7.011559   5.763119   6.732097
    37  H    3.253967   6.570706   6.823844   5.984681   7.073054
    38  C    3.480405   4.968407   5.284994   5.430455   4.628211
    39  O    3.782910   4.275351   4.608865   4.957040   3.755208
    40  N    3.292312   5.288030   5.808147   5.413012   5.006570
    41  H    3.891197   5.704764   5.822444   6.225284   5.472788
    42  C    3.479878   4.918730   5.718211   4.810840   4.540057
    43  H    3.357492   3.999450   4.875241   4.003232   3.506839
    44  H    4.578904   5.790515   6.655035   5.681858   5.274244
    45  H    3.201838   5.047771   5.876731   4.657511   4.864136
    46  C    3.708885   6.401935   6.836582   6.378137   6.278747
    47  H    4.083812   6.848676   7.107108   6.974139   6.763814
    48  H    3.185751   6.236463   6.669800   6.024573   6.281109
    49  H    4.679327   7.234454   7.771866   7.141190   7.020324
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098859   0.000000
     8  H    1.102015   1.796666   0.000000
     9  H    1.102262   1.795732   1.791979   0.000000
    10  C    2.489128   3.417499   2.779102   2.742591   0.000000
    11  H    2.628526   3.666330   2.473257   2.882374   1.101251
    12  H    3.394411   4.192312   3.652884   3.783742   1.097859
    13  H    2.907744   3.839963   3.373540   2.738682   1.102540
    14  C    7.178767   7.744949   6.659694   7.975009   5.903044
    15  O    7.656023   8.158637   7.004235   8.490115   6.697597
    16  N    6.882503   7.345258   6.543058   7.739485   5.585015
    17  H    7.208404   7.904532   6.705445   7.885483   5.652638
    18  C    7.148349   7.401911   6.842972   8.119422   6.257421
    19  H    6.508996   6.666276   6.336405   7.504173   5.748446
    20  H    8.177959   8.402681   7.918105   9.145851   7.204726
    21  H    7.206504   7.415664   6.765459   8.210510   6.605320
    22  C    6.698115   7.225303   6.557983   7.455038   5.016006
    23  H    7.630946   8.104661   7.565444   8.385106   5.912088
    24  H    5.855454   6.318830   5.840851   6.631628   4.264313
    25  H    6.730586   7.401024   6.555906   7.367082   4.787999
    26  C    3.911294   4.715054   2.922512   4.208669   4.001703
    27  O    4.025666   4.608584   2.944253   4.346223   4.789092
    28  N    4.760916   5.567472   3.837762   5.202063   4.297544
    29  H    3.523440   4.479606   2.732456   3.590762   3.348868
    30  C    5.259381   6.190370   4.547162   5.610512   4.056432
    31  H    6.278561   7.226591   5.537614   6.548358   5.049153
    32  H    5.487094   6.349877   4.863165   5.985935   4.074029
    33  H    4.754333   5.774537   4.194103   4.945527   3.320709
    34  C    5.743222   6.380214   4.753997   6.331106   5.500278
    35  H    6.651448   7.317055   5.632273   7.142244   6.392405
    36  H    5.489897   5.968222   4.453298   6.153386   5.705800
    37  H    6.135440   6.750753   5.241901   6.819838   5.610169
    38  C    5.531245   5.197198   5.203023   6.624010   6.304461
    39  O    5.107211   4.611209   5.022429   6.185276   6.018440
    40  N    5.248556   5.014008   4.680549   6.290703   6.201147
    41  H    6.474435   6.216432   6.124055   7.573524   6.961165
    42  C    4.289823   3.987347   3.669010   5.247580   5.716654
    43  H    3.502121   3.049423   3.114681   4.498451   5.090139
    44  H    4.974161   4.530486   4.375141   5.841463   6.661132
    45  H    4.062343   4.017593   3.216501   4.934478   5.345065
    46  C    6.234811   6.173508   5.494474   7.227944   6.920814
    47  H    7.013244   6.952669   6.343771   8.043906   7.466264
    48  H    5.909251   6.039061   5.067831   6.843970   6.364101
    49  H    6.807845   6.681379   6.011781   7.747165   7.734802
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795878   0.000000
    13  H    1.791327   1.798171   0.000000
    14  C    5.505655   5.287028   6.843202   0.000000
    15  O    6.182744   6.216981   7.679179   1.242893   0.000000
    16  N    5.437019   4.832526   6.545817   1.360929   2.316208
    17  H    5.203905   5.021220   6.483414   1.108185   2.057461
    18  C    6.203634   5.568128   7.282373   2.469531   2.865145
    19  H    5.851385   5.071007   6.767347   3.267618   3.772932
    20  H    7.208615   6.436735   8.194590   3.084087   3.427644
    21  H    6.413411   6.062994   7.675950   2.574016   2.477119
    22  C    5.084261   4.078290   5.847030   2.466106   3.636233
    23  H    6.083588   4.907979   6.677273   3.173984   4.277350
    24  H    4.505090   3.316365   5.114491   3.196028   4.280167
    25  H    4.755991   3.857371   5.512308   2.550068   3.792006
    26  C    2.960304   4.600813   4.599201   5.647992   5.748207
    27  O    3.857579   5.482391   5.388704   6.415651   6.343967
    28  N    3.261835   4.588241   5.021745   4.468995   4.534584
    29  H    2.300748   4.067319   3.744607   6.076562   6.373768
    30  C    3.086670   4.112595   4.673636   4.035718   4.403996
    31  H    4.077052   5.085557   5.555777   4.435924   4.689306
    32  H    3.292089   3.854158   4.822406   2.994373   3.524827
    33  H    2.361078   3.481678   3.760868   4.748769   5.293992
    34  C    4.545917   5.673046   6.335072   4.144745   3.811561
    35  H    5.378929   6.592022   7.143681   4.788860   4.326309
    36  H    4.815240   5.972805   6.586393   4.687923   4.251088
    37  H    4.764288   5.570333   6.519252   3.105164   2.714811
    38  C    6.257709   6.257343   7.340117   5.713774   5.592737
    39  O    6.171477   5.991984   6.979837   6.382922   6.462537
    40  N    5.935627   6.318387   7.230761   5.653739   5.367917
    41  H    6.901145   6.769062   8.028616   5.395444   5.184524
    42  C    5.409752   6.082540   6.643594   6.420761   6.232267
    43  H    4.964496   5.487109   5.969325   6.641612   6.651616
    44  H    6.346572   7.100937   7.528664   7.420452   7.132707
    45  H    4.847884   5.782075   6.253138   6.053792   5.841170
    46  C    6.473432   6.982691   7.974780   5.214683   4.631535
    47  H    7.083061   7.377129   8.551898   4.956589   4.297640
    48  H    5.789494   6.436327   7.405508   4.529353   3.938317
    49  H    7.230282   7.896755   8.752284   6.170990   5.475743
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056661   0.000000
    18  C    1.465002   3.417505   0.000000
    19  H    2.099263   4.090004   1.101680   0.000000
    20  H    2.121587   3.988357   1.102841   1.791078   0.000000
    21  H    2.102281   3.652913   1.097485   1.797699   1.797064
    22  C    1.463276   2.560171   2.491104   2.616563   2.927363
    23  H    2.115519   3.301466   2.800717   2.947495   2.816542
    24  H    2.106733   3.350953   2.729639   2.395696   3.323958
    25  H    2.104827   2.154381   3.418032   3.633632   3.886507
    26  C    6.140088   5.472129   6.803410   6.760686   7.878869
    27  O    6.879309   6.398721   7.336408   7.247836   8.424998
    28  N    5.145531   4.247049   5.936265   6.079522   6.964273
    29  H    6.459698   5.762864   7.228188   7.100822   8.293301
    30  C    4.740511   3.480223   5.826201   6.036373   6.770047
    31  H    5.345576   3.744687   6.509905   6.854456   7.380729
    32  H    3.673620   2.425160   4.834654   5.109077   5.735814
    33  H    5.236692   4.131284   6.341019   6.399759   7.291726
    34  C    5.007003   4.168743   5.615348   5.933439   6.592257
    35  H    5.815883   4.709015   6.482486   6.902065   7.396771
    36  H    5.383153   4.916738   5.728070   5.938967   6.733513
    37  H    4.055663   3.228560   4.695753   5.145353   5.618250
    38  C    5.195792   6.559787   4.300965   3.748663   5.068450
    39  O    5.679579   7.147281   4.821416   4.026990   5.555579
    40  N    5.446568   6.425239   4.802804   4.462846   5.690875
    41  H    4.847724   6.354543   3.739866   3.327786   4.351527
    42  C    6.286507   7.014692   5.881562   5.462563   6.857910
    43  H    6.332705   7.174978   5.955394   5.361561   6.934932
    44  H    7.323372   8.037627   6.842594   6.434684   7.775607
    45  H    6.121069   6.529251   5.953713   5.669365   6.990669
    46  C    5.304922   6.034324   4.724217   4.722424   5.559422
    47  H    4.973625   5.903818   4.185574   4.296781   4.870636
    48  H    4.830309   5.235363   4.549355   4.673015   5.471497
    49  H    6.360202   6.961053   5.784844   5.807835   6.576579
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391321   0.000000
    23  H    3.832456   1.102414   0.000000
    24  H    3.609392   1.102510   1.789786   0.000000
    25  H    4.178570   1.098922   1.797640   1.795179   0.000000
    26  C    6.540562   6.457498   7.559574   6.195950   6.153076
    27  O    6.933735   7.332678   8.429951   7.013860   7.155013
    28  N    5.668736   5.584076   6.672813   5.526833   5.229235
    29  H    7.118588   6.530306   7.614852   6.191715   6.127692
    30  C    5.787380   4.915834   5.960250   4.992304   4.317501
    31  H    6.434847   5.570152   6.549734   5.808678   4.862407
    32  H    4.883786   3.868821   4.901937   4.054329   3.295873
    33  H    6.433189   5.126547   6.154421   5.045193   4.463590
    34  C    5.110436   5.803772   6.841744   5.895565   5.599768
    35  H    5.937036   6.640618   7.646830   6.836988   6.343660
    36  H    5.099174   6.259083   7.292581   6.224258   6.218036
    37  H    4.202115   4.976270   5.963145   5.203636   4.827913
    38  C    3.808226   5.936789   6.575946   5.407236   6.687034
    39  O    4.579110   6.146740   6.735982   5.428637   6.917543
    40  N    4.136093   6.306002   7.093912   5.865766   6.888969
    41  H    3.156172   5.734061   6.253048   5.355377   6.572717
    42  C    5.324307   6.966492   7.855623   6.412778   7.402873
    43  H    5.583952   6.797229   7.664188   6.096508   7.245328
    44  H    6.213663   8.049193   8.921239   7.498939   8.497589
    45  H    5.384098   6.813772   7.786329   6.345837   7.100117
    46  C    3.821074   6.418000   7.207912   6.221852   6.934664
    47  H    3.192467   6.193775   6.858883   6.100759   6.816161
    48  H    3.687129   5.942331   6.820187   5.829460   6.310742
    49  H    4.837060   7.499025   8.295596   7.312568   7.980183
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242649   0.000000
    28  N    1.360982   2.314987   0.000000
    29  H    1.107886   2.057596   2.057037   0.000000
    30  C    2.466401   3.635182   1.463430   2.562584   0.000000
    31  H    3.132659   4.223896   2.117037   3.254796   1.103020
    32  H    3.234920   4.327135   2.108095   3.398086   1.101843
    33  H    2.555508   3.797855   2.103641   2.164548   1.098625
    34  C    2.462420   2.850900   1.465182   3.413415   2.497370
    35  H    3.020922   3.317014   2.123845   3.939875   2.956310
    36  H    2.586865   2.504054   2.100701   3.659967   3.388435
    37  H    3.294031   3.810479   2.098255   4.116221   2.612455
    38  C    6.226623   6.037672   6.118152   6.816314   6.891281
    39  O    6.599248   6.439281   6.649113   7.020902   7.343250
    40  N    5.315832   4.965485   5.275361   6.042469   6.261153
    41  H    6.853632   6.750869   6.543136   7.490994   7.212957
    42  C    4.632413   4.070355   4.960226   5.292105   6.096274
    43  H    4.762109   4.327616   5.208180   5.210881   6.204702
    44  H    5.337940   4.567533   5.778476   6.027246   7.012019
    45  H    3.626686   3.016384   3.991577   4.380605   5.229028
    46  C    5.349454   5.010789   5.054566   6.247742   6.075065
    47  H    6.175639   5.969267   5.701980   7.049401   6.552948
    48  H    4.455413   4.235481   4.030853   5.397095   5.055814
    49  H    5.767387   5.218463   5.593025   6.732038   6.752119
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787698   0.000000
    33  H    1.798861   1.794040   0.000000
    34  C    2.817359   2.732106   3.420544   0.000000
    35  H    2.863622   3.351060   3.911075   1.103432   0.000000
    36  H    3.847347   3.596223   4.169323   1.097486   1.796159
    37  H    2.944462   2.391682   3.628719   1.099507   1.790978
    38  C    7.817126   6.439924   7.264330   5.774154   6.754862
    39  O    8.348559   6.912550   7.544171   6.548480   7.583083
    40  N    7.125406   5.975332   6.711535   4.813670   5.727257
    41  H    8.072350   6.633288   7.688956   6.037821   6.972841
    42  C    6.992773   6.048519   6.393637   4.758930   5.649242
    43  H    7.190732   6.141835   6.327168   5.287035   6.252459
    44  H    7.857138   7.040499   7.317302   5.492664   6.269638
    45  H    6.070682   5.311245   5.565031   3.808297   4.659206
    46  C    6.772011   5.775087   6.737755   4.212696   4.968481
    47  H    7.212362   6.090573   7.270149   4.783624   5.510661
    48  H    5.702224   4.803286   5.782367   3.117489   3.887008
    49  H    7.375670   6.576115   7.435489   4.653321   5.245794
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795807   0.000000
    38  C    5.105299   5.514570   0.000000
    39  O    5.919760   6.345647   1.242986   0.000000
    40  N    3.999213   4.733505   1.361109   2.314934   0.000000
    41  H    5.452070   5.599956   1.108612   2.058312   2.058304
    42  C    3.858667   4.990830   2.469796   2.862361   1.465521
    43  H    4.515857   5.499152   2.574096   2.470636   2.104640
    44  H    4.493397   5.817377   3.090344   3.436979   2.121430
    45  H    2.890968   4.198504   3.263174   3.761585   2.099459
    46  C    3.391854   4.044733   2.467072   3.634685   1.463256
    47  H    4.123636   4.378831   2.554788   3.796909   2.106026
    48  H    2.352885   2.965261   3.152055   4.226981   2.108421
    49  H    3.704013   4.655456   3.216251   4.320552   2.111972
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419095   0.000000
    43  H    3.654436   1.097831   0.000000
    44  H    3.994656   1.102535   1.796783   0.000000
    45  H    4.088060   1.100612   1.795755   1.790010   0.000000
    46  C    2.564814   2.488522   3.384401   2.944520   2.598260
    47  H    2.162493   3.418446   4.184458   3.878532   3.638033
    48  H    3.296065   2.759973   3.607452   3.396916   2.427070
    49  H    3.363761   2.760128   3.802659   2.805929   2.853087
                   46         47         48         49
    46  C    0.000000
    47  H    1.098606   0.000000
    48  H    1.103449   1.795705   0.000000
    49  H    1.101869   1.796632   1.791012   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144665      0.1947570      0.1845386
 Leave Link  202 at Mon Nov 14 04:29:11 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1782286198 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843475882 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.9938810316 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4035
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.16D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.40%
 GePol: Cavity surface area                          =    468.177 Ang**2
 GePol: Cavity volume                                =    458.434 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040246099 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.9898564217 Hartrees.
 Leave Link  301 at Mon Nov 14 04:29:11 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:29:13 2016, MaxMem=  2952790016 cpu:        14.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:29:13 2016, MaxMem=  2952790016 cpu:         1.0
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000524   -0.000290    0.000006
         Rot=    1.000000    0.000011    0.000002    0.000015 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:29:13 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48843675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.33D-15 for   3035.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.97D-15 for   1989    670.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   1876.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.47D-10 for   1683   1682.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.24D-14 for    127.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.40D-14 for   1362     27.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.67D-15 for   2924.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.73D-16 for   2164    744.
 E= -1013.45141399615    
 DIIS: error= 2.67D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141399615     IErMin= 1 ErrMin= 2.67D-05
 ErrMax= 2.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-06 BMatP= 1.79D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=7.12D-06 MaxDP=2.81D-04              OVMax= 3.98D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.12D-06    CP:  1.00D+00
 E= -1013.45141693164     Delta-E=       -0.000002935490 Rises=F Damp=F
 DIIS: error= 4.79D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141693164     IErMin= 2 ErrMin= 4.79D-06
 ErrMax= 4.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-08 BMatP= 1.79D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-01 0.982D+00
 Coeff:      0.182D-01 0.982D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.45D-06 MaxDP=8.97D-05 DE=-2.94D-06 OVMax= 1.37D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.00D+00  9.52D-01
 E= -1013.45141684855     Delta-E=        0.000000083096 Rises=F Damp=F
 DIIS: error= 1.38D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141693164     IErMin= 2 ErrMin= 4.79D-06
 ErrMax= 1.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-07 BMatP= 2.97D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.205D-02 0.692D+00 0.305D+00
 Coeff:      0.205D-02 0.692D+00 0.305D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-06 MaxDP=8.03D-05 DE= 8.31D-08 OVMax= 1.29D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.13D-07    CP:  1.00D+00  9.68D-01  3.46D-01
 E= -1013.45141695199     Delta-E=       -0.000000103440 Rises=F Damp=F
 DIIS: error= 3.10D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141695199     IErMin= 4 ErrMin= 3.10D-06
 ErrMax= 3.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.45D-09 BMatP= 2.97D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.426D-04 0.262D+00 0.204D+00 0.534D+00
 Coeff:     -0.426D-04 0.262D+00 0.204D+00 0.534D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.69D-07 MaxDP=1.61D-05 DE=-1.03D-07 OVMax= 2.75D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.12D-07    CP:  1.00D+00  9.73D-01  3.95D-01  5.49D-01
 E= -1013.45141695802     Delta-E=       -0.000000006035 Rises=F Damp=F
 DIIS: error= 1.01D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141695802     IErMin= 5 ErrMin= 1.01D-06
 ErrMax= 1.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-10 BMatP= 7.45D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.201D-05 0.148D+00 0.123D+00 0.354D+00 0.374D+00
 Coeff:     -0.201D-05 0.148D+00 0.123D+00 0.354D+00 0.374D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.62D-08 MaxDP=4.29D-06 DE=-6.03D-09 OVMax= 3.79D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.85D-08    CP:  1.00D+00  9.73D-01  3.89D-01  5.65D-01  6.52D-01
 E= -1013.45141695853     Delta-E=       -0.000000000508 Rises=F Damp=F
 DIIS: error= 8.96D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141695853     IErMin= 6 ErrMin= 8.96D-08
 ErrMax= 8.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.42D-12 BMatP= 5.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.184D-04 0.404D-01 0.349D-01 0.105D+00 0.151D+00 0.669D+00
 Coeff:     -0.184D-04 0.404D-01 0.349D-01 0.105D+00 0.151D+00 0.669D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.03D-08 MaxDP=4.02D-07 DE=-5.08D-10 OVMax= 4.04D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.44D-09    CP:  1.00D+00  9.73D-01  3.90D-01  5.71D-01  6.52D-01
                    CP:  8.76D-01
 E= -1013.45141695847     Delta-E=        0.000000000058 Rises=F Damp=F
 DIIS: error= 2.91D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -1013.45141695853     IErMin= 7 ErrMin= 2.91D-08
 ErrMax= 2.91D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-12 BMatP= 6.42D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-04 0.110D-01 0.988D-02 0.309D-01 0.542D-01 0.361D+00
 Coeff-Com:  0.533D+00
 Coeff:     -0.124D-04 0.110D-01 0.988D-02 0.309D-01 0.542D-01 0.361D+00
 Coeff:      0.533D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.24D-09 MaxDP=1.41D-07 DE= 5.78D-11 OVMax= 1.51D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141696     A.U. after    7 cycles
            NFock=  7  Conv=0.32D-08     -V/T= 2.0213
 KE= 9.923503715929D+02 PE=-6.029523377452D+03 EE= 2.174731732479D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:30:46 2016, MaxMem=  2952790016 cpu:      1056.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:30:55 2016, MaxMem=  2952790016 cpu:        97.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:30:55 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:31:32 2016, MaxMem=  2952790016 cpu:       441.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24673405D+00-2.53662632D+00 3.32035703D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000032766   -0.000023268   -0.000074798
      2        6           0.000001750    0.000029757   -0.000000185
      3        8           0.000026131    0.000022813    0.000006452
      4        7           0.000022967    0.000030431    0.000020991
      5        1           0.000016357    0.000019854    0.000012036
      6        6          -0.000003290    0.000022543    0.000036915
      7        1           0.000008588    0.000017754    0.000026913
      8        1           0.000009464    0.000006164    0.000047684
      9        1           0.000014720    0.000021368    0.000037757
     10        6           0.000009259    0.000035670    0.000014934
     11        1           0.000016343    0.000015523    0.000015821
     12        1           0.000022510    0.000023228    0.000005901
     13        1           0.000022036    0.000032837    0.000019466
     14        6          -0.000011071   -0.000006164   -0.000028763
     15        8          -0.000007807   -0.000012214   -0.000027483
     16        7           0.000000970    0.000002852   -0.000023622
     17        1           0.000004307   -0.000003174   -0.000025735
     18        6           0.000010110   -0.000011168   -0.000039761
     19        1           0.000008696   -0.000011352   -0.000032899
     20        1           0.000003988   -0.000007901   -0.000045864
     21        1          -0.000006567   -0.000013496   -0.000031594
     22        6           0.000006768    0.000003487   -0.000006449
     23        1           0.000017527    0.000016160   -0.000047741
     24        1           0.000009339    0.000010716   -0.000018592
     25        1           0.000016485    0.000010955   -0.000030100
     26        6          -0.000011393    0.000003366    0.000017500
     27        8          -0.000011415   -0.000009171    0.000031048
     28        7          -0.000017499   -0.000007996    0.000015461
     29        1           0.000008686    0.000009191    0.000034014
     30        6           0.000012790    0.000015905    0.000026418
     31        1           0.000001156   -0.000005100   -0.000002020
     32        1           0.000004834    0.000005553   -0.000005988
     33        1          -0.000000178    0.000013340    0.000009531
     34        6          -0.000020175   -0.000002730    0.000004403
     35        1          -0.000017836   -0.000021203    0.000011910
     36        1          -0.000005956   -0.000015985    0.000021485
     37        1          -0.000015195   -0.000010692   -0.000006178
     38        6           0.000011562   -0.000008837    0.000009803
     39        8          -0.000013462   -0.000000285   -0.000014160
     40        7          -0.000035203   -0.000029936    0.000003731
     41        1          -0.000011624   -0.000017834   -0.000018370
     42        6           0.000038299    0.000046003   -0.000032182
     43        1          -0.000010310   -0.000010577    0.000016355
     44        1          -0.000051178   -0.000053054    0.000062349
     45        1          -0.000015371   -0.000023818    0.000024538
     46        6          -0.000019664   -0.000036924   -0.000023304
     47        1          -0.000024922   -0.000021033   -0.000005146
     48        1          -0.000020881   -0.000020624    0.000003087
     49        1          -0.000027412   -0.000030934    0.000004435
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000074798 RMS     0.000022190
 Leave Link  716 at Mon Nov 14 04:31:32 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000012725 RMS     0.000002079
 Search for a local minimum.
 Step number  99 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .20788D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99
 DE= -1.43D-07 DEPred=-6.66D-08 R= 2.15D+00
 Trust test= 2.15D+00 RLast= 1.59D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1
 ITU=  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0
 ITU=  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00006   0.00044   0.00052   0.00094   0.00112
     Eigenvalues ---    0.00123   0.00161   0.00199   0.00219   0.00237
     Eigenvalues ---    0.00285   0.00337   0.00375   0.00433   0.00554
     Eigenvalues ---    0.00586   0.00702   0.00774   0.00801   0.00834
     Eigenvalues ---    0.00894   0.01018   0.01038   0.01089   0.01195
     Eigenvalues ---    0.01227   0.01249   0.01315   0.01446   0.01507
     Eigenvalues ---    0.01604   0.01677   0.01741   0.01778   0.01813
     Eigenvalues ---    0.01828   0.01842   0.01922   0.02000   0.02066
     Eigenvalues ---    0.02180   0.02317   0.02369   0.02478   0.02501
     Eigenvalues ---    0.02731   0.02940   0.03030   0.03102   0.03623
     Eigenvalues ---    0.04346   0.04416   0.04935   0.05345   0.05590
     Eigenvalues ---    0.05871   0.05938   0.06214   0.06304   0.06360
     Eigenvalues ---    0.06580   0.06913   0.07383   0.07410   0.07473
     Eigenvalues ---    0.07690   0.07942   0.08021   0.08153   0.08296
     Eigenvalues ---    0.08369   0.08610   0.08861   0.09147   0.09230
     Eigenvalues ---    0.09414   0.09503   0.09773   0.09879   0.10041
     Eigenvalues ---    0.10104   0.10368   0.10483   0.10659   0.10945
     Eigenvalues ---    0.11241   0.11314   0.11378   0.11604   0.13225
     Eigenvalues ---    0.13450   0.14192   0.14750   0.15134   0.15182
     Eigenvalues ---    0.15501   0.15824   0.20678   0.22339   0.22900
     Eigenvalues ---    0.23443   0.24657   0.24715   0.25909   0.26443
     Eigenvalues ---    0.26855   0.27288   0.28300   0.29246   0.29613
     Eigenvalues ---    0.29804   0.30771   0.32807   0.32825   0.32834
     Eigenvalues ---    0.32929   0.33293   0.33355   0.33362   0.33381
     Eigenvalues ---    0.33398   0.33422   0.33510   0.33544   0.33698
     Eigenvalues ---    0.33798   0.33822   0.33840   0.33922   0.33956
     Eigenvalues ---    0.34042   0.34210   0.34266   0.37281   0.39061
     Eigenvalues ---    0.39916   0.40850   0.85958   0.86126   0.86459
     Eigenvalues ---    0.89537
 Eigenvalue     1 is   6.14D-05 Eigenvector:
                         D399      D381      D397      D383      D385
   1                   -0.23415  -0.22951  -0.21905  -0.21743  -0.21612
                         D387      D395      D405      D403      D407
   1                   -0.21390  -0.21120  -0.21068  -0.20975  -0.20918
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    99   98   97   96   95
 RFO step:  Lambda=-1.10018450D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.73D-07 SmlDif=  1.00D-05
 RMS Error=  0.1066050551D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.62327   -0.52155   -0.30287    0.14319    0.05796
 Iteration  1 RMS(Cart)=  0.00043268 RMS(Int)=  0.00000034
 Iteration  2 RMS(Cart)=  0.00000020 RMS(Int)=  0.00000010
 ITry= 1 IFail=0 DXMaxC= 3.37D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59510   0.00000  -0.00007  -0.00020  -0.00027   6.59483
    R2        6.26293   0.00000  -0.00051  -0.00007  -0.00058   6.26235
    R3        7.25166   0.00000  -0.00059  -0.00018  -0.00077   7.25089
    R4        6.34571   0.00000  -0.00044  -0.00017  -0.00061   6.34510
    R5        6.52882   0.00000  -0.00031  -0.00001  -0.00031   6.52850
    R6        5.97374   0.00000   0.00000  -0.00012  -0.00012   5.97362
    R7        6.70139   0.00000   0.00002  -0.00010  -0.00008   6.70131
    R8        6.22969   0.00000  -0.00011   0.00000  -0.00011   6.22958
    R9        6.66257   0.00000   0.00007   0.00013   0.00020   6.66276
   R10        6.06514   0.00000  -0.00015  -0.00010  -0.00025   6.06488
   R11        6.95310   0.00000  -0.00006  -0.00006  -0.00012   6.95298
   R12        6.02755   0.00000   0.00006  -0.00007   0.00000   6.02754
   R13        6.88795   0.00000   0.00026  -0.00007   0.00019   6.88814
   R14        6.19493   0.00000  -0.00043  -0.00004  -0.00048   6.19446
   R15        6.86109   0.00000  -0.00093  -0.00015  -0.00109   6.86001
   R16        5.94966   0.00000  -0.00088  -0.00010  -0.00098   5.94869
   R17        6.68610   0.00000   0.00015   0.00010   0.00025   6.68635
   R18        6.57701   0.00001  -0.00036   0.00030  -0.00006   6.57695
   R19        6.22157   0.00000  -0.00018  -0.00004  -0.00023   6.22134
   R20        6.57602   0.00000  -0.00012  -0.00005  -0.00017   6.57585
   R21        6.05060  -0.00001   0.00031  -0.00004   0.00027   6.05087
   R22        7.00878   0.00000  -0.00032  -0.00018  -0.00050   7.00828
   R23        6.02020   0.00000  -0.00014   0.00006  -0.00008   6.02012
   R24        2.34967   0.00000   0.00000   0.00000   0.00000   2.34966
   R25        2.57149   0.00001   0.00000   0.00001   0.00001   2.57150
   R26        2.09473   0.00000   0.00000   0.00000   0.00000   2.09473
   R27        2.76513   0.00000   0.00000  -0.00001  -0.00001   2.76512
   R28        2.76828   0.00000   0.00003  -0.00002   0.00001   2.76829
   R29        2.07654   0.00000   0.00000   0.00000   0.00000   2.07654
   R30        2.08251   0.00001   0.00001   0.00003   0.00003   2.08254
   R31        2.08297   0.00000   0.00001   0.00000   0.00001   2.08299
   R32        2.08106   0.00000  -0.00001   0.00001   0.00000   2.08106
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07465
   R34        2.08350   0.00000   0.00000   0.00000   0.00000   2.08350
   R35        2.34873   0.00000   0.00000   0.00000   0.00000   2.34873
   R36        2.57178  -0.00001   0.00000  -0.00001   0.00000   2.57178
   R37        2.09417   0.00000   0.00000   0.00000   0.00000   2.09417
   R38        2.76845  -0.00001  -0.00001  -0.00001  -0.00003   2.76843
   R39        2.76519  -0.00001   0.00000  -0.00002  -0.00001   2.76518
   R40        2.08187   0.00000  -0.00001   0.00001   0.00000   2.08187
   R41        2.08407   0.00000   0.00000   0.00000   0.00000   2.08407
   R42        2.07395   0.00000  -0.00001   0.00000  -0.00001   2.07394
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08344   0.00000   0.00000   0.00001   0.00001   2.08345
   R45        2.07666   0.00000   0.00000   0.00000   0.00000   2.07666
   R46        2.34827   0.00000  -0.00001   0.00000  -0.00002   2.34825
   R47        2.57188   0.00000   0.00000   0.00000   0.00000   2.57189
   R48        2.09360   0.00000   0.00000   0.00000   0.00000   2.09360
   R49        2.76548   0.00000   0.00002   0.00000   0.00002   2.76550
   R50        2.76879   0.00000  -0.00001   0.00000  -0.00001   2.76879
   R51        2.08441   0.00000   0.00000   0.00000   0.00001   2.08441
   R52        2.08218   0.00000   0.00002   0.00000   0.00001   2.08220
   R53        2.07610   0.00000   0.00000   0.00001   0.00000   2.07610
   R54        2.08518   0.00000   0.00001   0.00000   0.00001   2.08520
   R55        2.07395   0.00000   0.00000   0.00000   0.00000   2.07395
   R56        2.07777   0.00000   0.00000   0.00000   0.00000   2.07776
   R57        2.34890   0.00001   0.00000   0.00001   0.00001   2.34891
   R58        2.57212  -0.00001   0.00000  -0.00001  -0.00002   2.57211
   R59        2.09497   0.00000  -0.00001   0.00000   0.00000   2.09497
   R60        2.76943   0.00001  -0.00001   0.00001  -0.00001   2.76943
   R61        2.76515   0.00000   0.00004  -0.00002   0.00002   2.76518
   R62        2.07460   0.00000   0.00000   0.00000   0.00000   2.07460
   R63        2.08349   0.00000   0.00000   0.00000   0.00000   2.08349
   R64        2.07985   0.00000  -0.00002   0.00001  -0.00001   2.07984
   R65        2.07606   0.00000   0.00000   0.00000   0.00000   2.07606
   R66        2.08522   0.00000   0.00001  -0.00001  -0.00001   2.08521
   R67        2.08223   0.00000  -0.00001   0.00001   0.00000   2.08223
    A1        0.68036   0.00000   0.00005   0.00002   0.00007   0.68044
    A2        0.95719   0.00000   0.00009   0.00003   0.00013   0.95731
    A3        0.72716   0.00000   0.00003   0.00001   0.00004   0.72719
    A4        1.01912   0.00000   0.00004   0.00002   0.00007   1.01919
    A5        2.34831   0.00000   0.00021   0.00013   0.00034   2.34864
    A6        2.02728   0.00000   0.00007   0.00005   0.00012   2.02740
    A7        1.97877   0.00000  -0.00015  -0.00009  -0.00024   1.97852
    A8        1.68559   0.00000  -0.00017  -0.00010  -0.00028   1.68531
    A9        1.65824   0.00000   0.00016   0.00009   0.00025   1.65849
   A10        1.37637   0.00000   0.00012   0.00008   0.00020   1.37657
   A11        1.73377   0.00000   0.00011   0.00004   0.00014   1.73391
   A12        2.03865   0.00000   0.00014   0.00007   0.00021   2.03886
   A13        1.94456   0.00000   0.00019   0.00011   0.00030   1.94486
   A14        2.03377   0.00000   0.00027   0.00016   0.00042   2.03419
   A15        2.43252   0.00000   0.00009   0.00004   0.00013   2.43265
   A16        1.58693   0.00000  -0.00024  -0.00012  -0.00036   1.58657
   A17        1.78763   0.00000  -0.00024  -0.00012  -0.00036   1.78728
   A18        1.56686   0.00000  -0.00023  -0.00010  -0.00033   1.56653
   A19        1.70762   0.00000  -0.00014  -0.00007  -0.00021   1.70741
   A20        2.19114   0.00000  -0.00021  -0.00011  -0.00032   2.19082
   A21        2.41123   0.00000  -0.00027  -0.00015  -0.00042   2.41081
   A22        0.64311   0.00000   0.00004   0.00001   0.00005   0.64317
   A23        0.65928   0.00000   0.00004   0.00002   0.00006   0.65934
   A24        2.40319   0.00000   0.00045   0.00023   0.00068   2.40387
   A25        2.22773   0.00000   0.00025   0.00012   0.00037   2.22810
   A26        2.32245   0.00000  -0.00004  -0.00004  -0.00008   2.32237
   A27        2.05741   0.00000  -0.00011  -0.00007  -0.00018   2.05723
   A28        1.82005   0.00000   0.00026   0.00013   0.00038   1.82044
   A29        1.57877   0.00000   0.00018   0.00009   0.00027   1.57904
   A30        1.34028   0.00000   0.00009   0.00002   0.00011   1.34039
   A31        1.64006   0.00000   0.00013   0.00006   0.00019   1.64025
   A32        1.59163   0.00000   0.00021   0.00010   0.00031   1.59194
   A33        1.74559   0.00000   0.00031   0.00016   0.00046   1.74606
   A34        2.03602   0.00000   0.00009   0.00003   0.00011   2.03613
   A35        1.85158   0.00000  -0.00016  -0.00008  -0.00025   1.85133
   A36        1.92053   0.00000  -0.00016  -0.00007  -0.00022   1.92030
   A37        1.57299   0.00000  -0.00015  -0.00006  -0.00021   1.57278
   A38        1.59232   0.00000  -0.00005  -0.00003  -0.00009   1.59223
   A39        2.27631   0.00000  -0.00012  -0.00005  -0.00017   2.27614
   A40        2.37178   0.00000  -0.00020  -0.00012  -0.00032   2.37147
   A41        0.68904   0.00000   0.00005   0.00001   0.00005   0.68910
   A42        0.74650   0.00000   0.00003   0.00003   0.00006   0.74656
   A43        2.66898   0.00000   0.00053   0.00027   0.00080   2.66978
   A44        2.60736   0.00000   0.00031   0.00015   0.00047   2.60783
   A45        2.65694   0.00000  -0.00013  -0.00009  -0.00022   2.65672
   A46        2.35174   0.00000  -0.00017  -0.00010  -0.00028   2.35147
   A47        2.19922   0.00000   0.00030   0.00014   0.00045   2.19967
   A48        1.96432   0.00000   0.00021   0.00010   0.00032   1.96464
   A49        1.09903   0.00000   0.00008   0.00003   0.00011   1.09914
   A50        1.45903   0.00000   0.00010   0.00005   0.00015   1.45918
   A51        1.56194   0.00000   0.00021   0.00010   0.00031   1.56225
   A52        1.79914   0.00000   0.00031   0.00015   0.00045   1.79960
   A53        1.78380   0.00000   0.00002   0.00000   0.00002   1.78382
   A54        1.71187   0.00000  -0.00005  -0.00005  -0.00010   1.71176
   A55        1.64933   0.00000  -0.00009  -0.00004  -0.00013   1.64920
   A56        1.24956   0.00000  -0.00011  -0.00005  -0.00015   1.24940
   A57        1.21869   0.00000  -0.00006  -0.00003  -0.00009   1.21859
   A58        1.94449   0.00000  -0.00009  -0.00003  -0.00012   1.94437
   A59        1.99414   0.00000  -0.00021  -0.00013  -0.00033   1.99381
   A60        0.83989   0.00000  -0.00001  -0.00001  -0.00002   0.83987
   A61        0.77603   0.00000  -0.00007   0.00001  -0.00006   0.77597
   A62        2.60751   0.00000   0.00034   0.00018   0.00052   2.60802
   A63        2.77486   0.00000   0.00034   0.00017   0.00051   2.77537
   A64        2.60928   0.00000  -0.00015  -0.00009  -0.00024   2.60903
   A65        2.39827   0.00000   0.00027   0.00013   0.00040   2.39867
   A66        2.20340   0.00000   0.00019   0.00010   0.00029   2.20369
   A67        0.85733   0.00000   0.00001   0.00000   0.00002   0.85735
   A68        1.23310   0.00000   0.00000   0.00002   0.00002   1.23312
   A69        1.41508   0.00000   0.00010   0.00006   0.00016   1.41523
   A70        1.68748   0.00000   0.00018   0.00009   0.00027   1.68774
   A71        1.52052   0.00000  -0.00006  -0.00003  -0.00009   1.52044
   A72        1.72898   0.00000   0.00014   0.00002   0.00016   1.72914
   A73        1.56139   0.00000   0.00008   0.00002   0.00011   1.56150
   A74        1.13224   0.00000   0.00007   0.00002   0.00008   1.13232
   A75        1.02393   0.00000   0.00006   0.00001   0.00007   1.02400
   A76        1.77935   0.00000   0.00003   0.00002   0.00005   1.77940
   A77        1.77113   0.00000  -0.00013  -0.00010  -0.00023   1.77090
   A78        2.00615   0.00000   0.00047   0.00025   0.00073   2.00687
   A79        1.94793   0.00000   0.00034   0.00017   0.00051   1.94844
   A80        2.22313   0.00000   0.00018   0.00006   0.00024   2.22337
   A81        2.07980   0.00000   0.00007   0.00000   0.00007   2.07988
   A82        1.55844   0.00000   0.00028   0.00014   0.00042   1.55886
   A83        1.39172   0.00000   0.00018   0.00009   0.00027   1.39199
   A84        1.19650   0.00000   0.00003   0.00000   0.00003   1.19653
   A85        1.38366   0.00000   0.00010   0.00006   0.00016   1.38383
   A86        1.21819   0.00000   0.00016   0.00010   0.00026   1.21845
   A87        1.32701   0.00000   0.00027   0.00016   0.00042   1.32743
   A88        1.81025   0.00000   0.00010   0.00005   0.00015   1.81040
   A89        2.28194   0.00000  -0.00015  -0.00009  -0.00025   2.28169
   A90        2.33117   0.00000  -0.00008  -0.00005  -0.00013   2.33104
   A91        1.93808   0.00000  -0.00005  -0.00003  -0.00009   1.93799
   A92        1.86340   0.00000   0.00006   0.00001   0.00006   1.86346
   A93        2.61888   0.00000   0.00001   0.00000   0.00001   2.61889
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   A328       3.19757   0.00000  -0.00003   0.00012   0.00009   3.19767
   A329       3.27217   0.00000   0.00021   0.00019   0.00039   3.27256
   A330       3.25781   0.00000   0.00030   0.00009   0.00039   3.25819
   A331       3.69336   0.00000  -0.00033  -0.00030  -0.00062   3.69274
   A332       3.22374   0.00000   0.00031   0.00015   0.00046   3.22420
   A333       2.97183   0.00000  -0.00049  -0.00020  -0.00069   2.97114
   A334       2.90621   0.00000  -0.00037  -0.00014  -0.00051   2.90570
   A335       3.22955   0.00000  -0.00016   0.00001  -0.00015   3.22939
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   A337       3.10475   0.00000   0.00009  -0.00002   0.00007   3.10482
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    D2       -1.36117   0.00000   0.00009  -0.00002   0.00007  -1.36110
    D3        2.78073   0.00000  -0.00010  -0.00004  -0.00015   2.78058
    D4       -1.33848   0.00000  -0.00005  -0.00006  -0.00011  -1.33859
    D5        1.66191   0.00000   0.00001   0.00000   0.00001   1.66193
    D6       -2.45729   0.00000   0.00007  -0.00002   0.00005  -2.45724
    D7        1.84294   0.00000   0.00002  -0.00004  -0.00001   1.84293
    D8       -2.27627   0.00000   0.00008  -0.00006   0.00002  -2.27624
    D9        0.30888   0.00000  -0.00066  -0.00033  -0.00100   0.30788
   D10        2.47285   0.00000  -0.00061  -0.00035  -0.00096   2.47189
   D11        0.02579   0.00000  -0.00045  -0.00022  -0.00068   0.02511
   D12        2.18977   0.00000  -0.00040  -0.00024  -0.00064   2.18913
   D13       -0.44301   0.00000  -0.00041  -0.00019  -0.00060  -0.44361
   D14        1.72097   0.00000  -0.00036  -0.00021  -0.00056   1.72040
   D15       -0.56287   0.00000  -0.00032  -0.00013  -0.00045  -0.56332
   D16        1.60111   0.00000  -0.00026  -0.00015  -0.00041   1.60070
   D17        0.20857   0.00000  -0.00024  -0.00011  -0.00035   0.20822
   D18        2.37255   0.00000  -0.00019  -0.00013  -0.00031   2.37223
   D19        0.14294   0.00000  -0.00012  -0.00005  -0.00017   0.14277
   D20        2.30692   0.00000  -0.00007  -0.00007  -0.00013   2.30679
   D21        2.39638   0.00000  -0.00009  -0.00005  -0.00013   2.39625
   D22       -1.72283   0.00000  -0.00003  -0.00007  -0.00010  -1.72292
   D23        2.15390   0.00000  -0.00001  -0.00001  -0.00002   2.15389
   D24       -1.96530   0.00000   0.00005  -0.00003   0.00002  -1.96528
   D25        1.71058   0.00000  -0.00013  -0.00005  -0.00018   1.71040
   D26       -2.40863   0.00000  -0.00007  -0.00007  -0.00014  -2.40877
   D27        1.40355   0.00000  -0.00019  -0.00006  -0.00025   1.40330
   D28       -2.71566   0.00000  -0.00013  -0.00008  -0.00021  -2.71587
   D29        2.36629   0.00000   0.00015   0.00009   0.00024   2.36653
   D30       -1.75291   0.00000   0.00020   0.00008   0.00028  -1.75264
   D31       -1.74932   0.00000   0.00023   0.00006   0.00029  -1.74903
   D32        0.41466   0.00000   0.00029   0.00004   0.00033   0.41499
   D33       -2.09939   0.00000   0.00022   0.00009   0.00030  -2.09908
   D34        0.06459   0.00000   0.00027   0.00007   0.00034   0.06493
   D35       -2.47456   0.00000   0.00021   0.00008   0.00029  -2.47427
   D36       -0.31058   0.00000   0.00027   0.00006   0.00033  -0.31025
   D37       -2.76326   0.00000   0.00025   0.00009   0.00034  -2.76292
   D38       -0.59929   0.00000   0.00031   0.00007   0.00038  -0.59891
   D39       -2.12481   0.00000   0.00021   0.00010   0.00031  -2.12449
   D40        0.03917   0.00000   0.00027   0.00008   0.00035   0.03952
   D41       -2.36685   0.00000   0.00012   0.00001   0.00014  -2.36671
   D42       -0.20287   0.00000   0.00018  -0.00001   0.00017  -0.20270
   D43        1.26328   0.00000   0.00020   0.00004   0.00024   1.26352
   D44       -1.92837   0.00000   0.00020  -0.00002   0.00018  -1.92819
   D45        2.45754   0.00000   0.00016   0.00003   0.00020   2.45773
   D46       -0.73412   0.00000   0.00017  -0.00002   0.00014  -0.73397
   D47        2.94318   0.00000   0.00018   0.00001   0.00019   2.94337
   D48       -0.24848   0.00000   0.00018  -0.00004   0.00014  -0.24834
   D49        2.86682   0.00000   0.00019   0.00008   0.00028   2.86710
   D50       -0.32483   0.00000   0.00020   0.00002   0.00022  -0.32461
   D51        2.04097   0.00000  -0.00042  -0.00023  -0.00064   2.04032
   D52       -1.15069   0.00000  -0.00041  -0.00029  -0.00070  -1.15139
   D53        1.14594   0.00000  -0.00066  -0.00031  -0.00097   1.14497
   D54       -2.04572   0.00000  -0.00066  -0.00037  -0.00103  -2.04674
   D55        1.01116   0.00000  -0.00026  -0.00012  -0.00038   1.01078
   D56       -2.18050   0.00000  -0.00026  -0.00017  -0.00043  -2.18093
   D57        2.02104   0.00000   0.00000  -0.00002  -0.00001   2.02103
   D58       -1.17061   0.00000   0.00001  -0.00007  -0.00006  -1.17068
   D59        1.82642   0.00000   0.00010   0.00003   0.00013   1.82655
   D60       -1.36523   0.00000   0.00011  -0.00003   0.00008  -1.36515
   D61       -2.28106   0.00000   0.00009   0.00000   0.00009  -2.28097
   D62        0.81047   0.00000   0.00009  -0.00006   0.00004   0.81051
   D63       -2.41372   0.00000   0.00021   0.00006   0.00027  -2.41344
   D64        0.67781   0.00000   0.00022   0.00000   0.00022   0.67803
   D65       -2.81633   0.00000   0.00018   0.00007   0.00024  -2.81609
   D66        0.27520   0.00000   0.00018   0.00001   0.00019   0.27539
   D67       -2.99162   0.00000   0.00022   0.00011   0.00033  -2.99129
   D68        0.09991   0.00000   0.00023   0.00005   0.00028   0.10019
   D69       -2.13549   0.00000   0.00030   0.00011   0.00041  -2.13508
   D70        0.95604   0.00000   0.00030   0.00005   0.00036   0.95640
   D71       -0.15737   0.00000   0.00050   0.00016   0.00066  -0.15671
   D72        2.93416   0.00000   0.00050   0.00010   0.00061   2.93477
   D73       -0.55588   0.00000   0.00048   0.00018   0.00067  -0.55521
   D74        2.53566   0.00000   0.00049   0.00012   0.00061   2.53627
   D75       -0.72406   0.00000   0.00051   0.00018   0.00069  -0.72337
   D76        2.36747   0.00000   0.00051   0.00012   0.00064   2.36810
   D77       -1.06214   0.00000   0.00048   0.00017   0.00065  -1.06148
   D78        2.02940   0.00000   0.00049   0.00011   0.00060   2.03000
   D79       -0.84043   0.00000   0.00045   0.00018   0.00063  -0.83980
   D80        2.25110   0.00000   0.00045   0.00012   0.00057   2.25167
   D81       -1.14361   0.00000   0.00042   0.00015   0.00057  -1.14304
   D82        1.94792   0.00000   0.00042   0.00009   0.00051   1.94843
   D83       -1.53281   0.00000  -0.00009   0.00005  -0.00004  -1.53285
   D84       -2.60875   0.00000  -0.00013   0.00003  -0.00010  -2.60885
   D85       -2.94716   0.00000  -0.00024  -0.00001  -0.00025  -2.94740
   D86        0.73398   0.00000  -0.00028  -0.00003  -0.00031   0.73367
   D87        0.30938   0.00000  -0.00033  -0.00007  -0.00040   0.30898
   D88       -0.06966   0.00000  -0.00054  -0.00018  -0.00072  -0.07038
   D89       -0.40633   0.00000  -0.00049  -0.00014  -0.00063  -0.40696
   D90        0.18377   0.00000  -0.00017   0.00003  -0.00014   0.18363
   D91       -0.05408   0.00000  -0.00010   0.00006  -0.00004  -0.05412
   D92        2.39899   0.00000  -0.00022  -0.00001  -0.00024   2.39875
   D93        2.05229   0.00000  -0.00015   0.00002  -0.00013   2.05216
   D94        1.65706   0.00000  -0.00023  -0.00001  -0.00024   1.65682
   D95        1.37098   0.00000  -0.00022   0.00002  -0.00020   1.37078
   D96        2.05774   0.00000  -0.00005   0.00009   0.00004   2.05778
   D97       -1.89205   0.00000   0.00026   0.00016   0.00042  -1.89163
   D98       -2.43196   0.00000   0.00031   0.00022   0.00053  -2.43143
   D99       -2.64942   0.00000   0.00023   0.00018   0.00040  -2.64902
   D100      -2.97902   0.00000   0.00019   0.00016   0.00035  -2.97867
   D101      -2.90342   0.00000   0.00041   0.00030   0.00071  -2.90272
   D102       2.84399   0.00000   0.00038   0.00030   0.00068   2.84467
   D103      -2.89177   0.00000   0.00063   0.00036   0.00099  -2.89078
   D104       1.20575   0.00000   0.00063   0.00037   0.00100   1.20675
   D105       2.81616   0.00000   0.00046   0.00025   0.00071   2.81688
   D106       0.63049   0.00000   0.00046   0.00026   0.00072   0.63122
   D107       2.31082   0.00000   0.00012   0.00008   0.00020   2.31102
   D108       0.12515   0.00000   0.00012   0.00009   0.00021   0.12536
   D109       1.74339  -0.00001  -0.00033  -0.00014  -0.00047   1.74292
   D110      -0.44228  -0.00001  -0.00032  -0.00014  -0.00046  -0.44274
   D111       2.59362   0.00000   0.00022   0.00015   0.00037   2.59399
   D112       0.40795   0.00000   0.00022   0.00016   0.00038   0.40833
   D113       2.25560   0.00000   0.00012   0.00013   0.00024   2.25584
   D114       0.06992   0.00000   0.00012   0.00013   0.00025   0.07018
   D115      -1.61169   0.00000  -0.00001  -0.00002  -0.00003  -1.61172
   D116       2.48583   0.00000   0.00000  -0.00001  -0.00002   2.48581
   D117      -1.77043   0.00000   0.00007   0.00003   0.00009  -1.77034
   D118       2.32708   0.00000   0.00007   0.00003   0.00011   2.32719
   D119      -2.73548   0.00000  -0.00003   0.00001  -0.00003  -2.73550
   D120       1.36204   0.00000  -0.00003   0.00001  -0.00002   1.36202
   D121      -2.69584   0.00000  -0.00001   0.00003   0.00001  -2.69582
   D122       1.40168   0.00000  -0.00001   0.00003   0.00003   1.40170
   D123       1.33063   0.00000   0.00006   0.00009   0.00015   1.33078
   D124      -0.85504   0.00000   0.00007   0.00009   0.00016  -0.85488
   D125       1.30149   0.00000   0.00013   0.00012   0.00024   1.30174
   D126      -0.88418   0.00000   0.00013   0.00012   0.00026  -0.88392
   D127       1.65828   0.00000   0.00020   0.00014   0.00034   1.65861
   D128      -0.52740   0.00000   0.00021   0.00014   0.00035  -0.52705
   D129       1.78216   0.00000   0.00020   0.00011   0.00031   1.78247
   D130      -0.40351   0.00000   0.00020   0.00012   0.00032  -0.40319
   D131       0.90148   0.00000   0.00019   0.00014   0.00033   0.90182
   D132      -1.28419   0.00000   0.00020   0.00015   0.00035  -1.28384
   D133      -0.95359   0.00000  -0.00018   0.00001  -0.00017  -0.95376
   D134      -3.13926   0.00000  -0.00017   0.00001  -0.00016  -3.13942
   D135      -0.52901   0.00000  -0.00024  -0.00005  -0.00029  -0.52930
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   D138      -2.42776   0.00000  -0.00049  -0.00015  -0.00064  -2.42840
   D139       0.16308   0.00000  -0.00051  -0.00017  -0.00067   0.16240
   D140      -2.02260   0.00000  -0.00050  -0.00016  -0.00066  -2.02326
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   D147      -2.38768   0.00000   0.00099   0.00047   0.00146  -2.38622
   D148       3.01140   0.00000   0.00049   0.00029   0.00078   3.01217
   D149       2.62803   0.00000   0.00047   0.00028   0.00075   2.62878
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   D435       3.09748   0.00000   0.00025   0.00009   0.00033   3.09781
   D436      -1.08632   0.00000   0.00028   0.00010   0.00038  -1.08594
   D437       1.00031   0.00000   0.00021   0.00009   0.00030   1.00062
   D438      -2.36827   0.00000  -0.00035   0.00016  -0.00019  -2.36846
   D439      -0.27804   0.00000  -0.00032   0.00017  -0.00014  -0.27818
   D440       1.82933   0.00000  -0.00033   0.00017  -0.00017   1.82916
   D441       0.73392   0.00000  -0.00014   0.00007  -0.00008   0.73384
   D442       2.82416   0.00000  -0.00011   0.00008  -0.00003   2.82413
   D443      -1.35166   0.00000  -0.00013   0.00007  -0.00005  -1.35172
   D444      -0.00092   0.00000  -0.00017  -0.00001  -0.00018  -0.00110
   D445       3.11415   0.00000  -0.00001  -0.00003  -0.00004   3.11411
   D446      -3.12073   0.00000  -0.00017  -0.00002  -0.00019  -3.12092
   D447      -0.00566   0.00000   0.00000  -0.00004  -0.00005  -0.00570
   D448       2.41725   0.00000  -0.00011  -0.00020  -0.00031   2.41694
   D449      -1.78216   0.00000  -0.00010  -0.00022  -0.00031  -1.78248
   D450       0.32521   0.00000  -0.00012  -0.00023  -0.00035   0.32487
   D451      -0.69910   0.00000  -0.00027  -0.00017  -0.00044  -0.69954
   D452       1.38468   0.00000  -0.00025  -0.00019  -0.00045   1.38423
   D453      -2.79113   0.00000  -0.00027  -0.00021  -0.00048  -2.79161
   D454       2.05360   0.00000  -0.00017   0.00005  -0.00013   2.05347
   D455      -2.14533   0.00000  -0.00015   0.00002  -0.00012  -2.14546
   D456      -0.05219   0.00000  -0.00018   0.00003  -0.00015  -0.05234
   D457      -1.11320   0.00000  -0.00002   0.00003   0.00001  -1.11319
   D458       0.97105   0.00000   0.00001   0.00000   0.00001   0.97106
   D459       3.06420   0.00000  -0.00003   0.00001  -0.00002   3.06418
   D460      -3.08260   0.00000   0.00043   0.00004   0.00047  -3.08213
   D461      -0.02566   0.00000   0.00008   0.00005   0.00013  -0.02552
   D462       0.07196  -0.00001   0.00040  -0.00004   0.00036   0.07232
   D463       3.12891  -0.00001   0.00006  -0.00003   0.00002   3.12893
   D464       1.92988   0.00000  -0.00029  -0.00009  -0.00038   1.92950
   D465      -2.27065   0.00000  -0.00034  -0.00006  -0.00041  -2.27105
   D466      -0.17764  -0.00001  -0.00029  -0.00010  -0.00040  -0.17804
   D467      -1.13042   0.00000   0.00003  -0.00009  -0.00006  -1.13048
   D468       0.95224   0.00000  -0.00002  -0.00007  -0.00008   0.95215
   D469       3.04525   0.00000   0.00003  -0.00011  -0.00008   3.04517
   D470      -1.63212   0.00000   0.00022  -0.00008   0.00014  -1.63198
   D471       0.47245  -0.00001   0.00020  -0.00007   0.00013   0.47258
   D472       2.56321   0.00000   0.00024  -0.00008   0.00016   2.56337
   D473       1.42858   0.00000  -0.00011  -0.00007  -0.00018   1.42840
   D474      -2.75004  -0.00001  -0.00013  -0.00006  -0.00019  -2.75023
   D475      -0.65928   0.00000  -0.00009  -0.00007  -0.00016  -0.65944
   D476       0.00349   0.00000  -0.00007   0.00000  -0.00008   0.00342
   D477      -3.04520   0.00000   0.00008  -0.00011  -0.00003  -3.04523
   D478       3.11668   0.00000  -0.00002  -0.00001  -0.00003   3.11664
   D479       0.06798   0.00000   0.00013  -0.00012   0.00001   0.06799
   D480      -0.30831   0.00000  -0.00017  -0.00023  -0.00040  -0.30871
   D481       1.79960   0.00000  -0.00018  -0.00020  -0.00037   1.79923
   D482      -2.39957   0.00000  -0.00020  -0.00019  -0.00038  -2.39995
   D483       2.74508   0.00000  -0.00032  -0.00012  -0.00044   2.74464
   D484      -1.43019   0.00001  -0.00032  -0.00009  -0.00041  -1.43061
   D485       0.65382   0.00000  -0.00034  -0.00008  -0.00042   0.65340
   D486      -0.08979  -0.00001   0.00028   0.00045   0.00073  -0.08905
   D487       2.00550   0.00000   0.00021   0.00047   0.00068   2.00618
   D488      -2.19352   0.00000   0.00022   0.00046   0.00068  -2.19283
   D489       3.13995  -0.00001   0.00043   0.00035   0.00077   3.14072
   D490      -1.04795   0.00000   0.00036   0.00037   0.00073  -1.04722
   D491       1.03622   0.00000   0.00037   0.00036   0.00073   1.03695
         Item               Value     Threshold  Converged?
 Maximum Force            0.000013     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.003367     0.001800     NO 
 RMS     Displacement     0.000433     0.001200     YES
 Predicted change in Energy=-4.980607D-08
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:31:33 2016, MaxMem=  2952790016 cpu:         8.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.818908   -0.586833    1.668079
      2          6           0       -2.070961    1.119033   -1.365963
      3          8           0       -2.619932    0.138479   -1.898088
      4          7           0       -0.778356    1.167873   -0.943463
      5          1           0       -2.620410    2.059388   -1.159637
      6          6           0       -0.240344    2.338105   -0.249080
      7          1           0       -0.998255    3.133331   -0.223098
      8          1           0        0.040112    2.064812    0.781032
      9          1           0        0.656031    2.705225   -0.775133
     10          6           0        0.133572    0.034103   -1.113549
     11          1           0        0.700833   -0.115164   -0.181516
     12          1           0       -0.447010   -0.870240   -1.338012
     13          1           0        0.844208    0.230575   -1.933300
     14          6           0       -2.013950   -3.994238    2.630860
     15          8           0       -2.139974   -3.837839    3.857417
     16          7           0       -2.949667   -3.683286    1.692847
     17          1           0       -1.083615   -4.396055    2.182421
     18          6           0       -4.248310   -3.112100    2.058171
     19          1           0       -4.502974   -2.315690    1.340836
     20          1           0       -5.035704   -3.883510    2.023528
     21          1           0       -4.190459   -2.692460    3.070604
     22          6           0       -2.696334   -3.872691    0.264175
     23          1           0       -3.404718   -4.605528   -0.155894
     24          1           0       -2.828660   -2.914486   -0.264853
     25          1           0       -1.667806   -4.229951    0.115414
     26          6           0        1.570575    0.371287    2.606052
     27          8           0        1.410654    1.390649    3.298497
     28          7           0        1.182562   -0.886736    2.951160
     29          1           0        2.049265    0.407482    1.607573
     30          6           0        1.478688   -2.041323    2.102105
     31          1           0        2.226935   -2.691658    2.585686
     32          1           0        0.560926   -2.629261    1.940500
     33          1           0        1.862717   -1.696006    1.132436
     34          6           0        0.542150   -1.155822    4.241204
     35          1           0        1.290339   -1.457549    4.994031
     36          1           0        0.024339   -0.251079    4.584405
     37          1           0       -0.183559   -1.972333    4.116433
     38          6           0       -4.608413    1.087477    2.904346
     39          8           0       -4.855242    1.663808    1.831059
     40          7           0       -3.539632    1.340768    3.708177
     41          1           0       -5.248388    0.270510    3.294236
     42          6           0       -2.544020    2.361199    3.368739
     43          1           0       -2.622330    2.610440    2.302447
     44          1           0       -2.699935    3.271083    3.971558
     45          1           0       -1.539317    1.965370    3.581393
     46          6           0       -3.262200    0.532275    4.895833
     47          1           0       -4.073145   -0.192787    5.049413
     48          1           0       -2.310090   -0.009230    4.762244
     49          1           0       -3.176522    1.180713    5.782569
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489831   0.000000
     3  O    3.726293   1.243388   0.000000
     4  N    3.313895   1.360779   2.315678   0.000000
     5  H    3.954854   1.108482   2.057961   2.057837   0.000000
     6  C    3.837008   2.466723   3.635934   1.463239   2.563495
     7  H    4.253192   2.552300   3.795335   2.104830   2.159131
     8  H    3.357682   3.156060   4.238428   2.109093   3.293114
     9  H    4.788763   3.209605   4.310585   2.109325   3.361549
    10  C    3.454735   2.469970   2.864992   1.464915   3.418818
    11  H    3.161103   3.257145   3.746790   2.101130   4.088526
    12  H    3.316475   2.568113   2.460242   2.102228   3.652151
    13  H    4.553051   3.099909   3.465543   2.119202   3.993331
    14  C    3.546181   6.490253   6.161001   6.399209   7.168127
    15  O    3.932597   7.201322   7.011939   7.068211   7.757508
    16  N    3.296552   5.761139   5.254468   5.932830   6.420544
    17  H    3.913487   6.631898   6.290693   6.389181   7.429928
    18  C    3.525782   5.862426   5.373069   6.274438   6.304653
    19  H    3.209399   5.003875   4.478774   5.588024   5.379379
    20  H    4.619762   6.730809   6.114853   7.241859   7.161301
    21  H    3.467707   6.221164   5.930318   6.531260   6.552866
    22  C    3.679360   5.288266   4.557489   5.526692   6.101030
    23  H    4.689519   6.001148   5.114365   6.391417   6.785555
    24  H    3.189639   4.249215   3.468662   4.618432   5.058006
    25  H    3.963069   5.564948   4.903460   5.572150   6.487603
    26  C    3.645049   5.440295   6.156445   4.330252   5.881704
    27  O    4.122956   5.826886   6.694628   4.778663   6.047449
    28  N    3.277967   5.765941   6.247018   4.820240   6.327787
    29  H    3.994382   5.130739   5.844948   3.883480   5.673809
    30  C    3.630160   5.883481   6.127949   4.966756   6.652623
    31  H    4.652004   6.972001   7.183733   6.031803   7.752202
    32  H    3.147910   5.648826   5.702017   4.952691   6.458729
    33  H    3.882209   5.444287   5.713453   4.414343   6.281322
    34  C    3.538264   6.591178   7.026014   5.833015   7.036223
    35  H    4.635464   7.641115   8.083244   6.813676   8.095087
    36  H    3.466301   6.455568   7.011892   5.763252   6.732530
    37  H    3.253984   6.570806   6.823921   5.984749   7.073184
    38  C    3.480374   4.967413   5.283750   5.429681   4.627388
    39  O    3.783024   4.274336   4.607578   4.956302   3.754360
    40  N    3.292193   5.287065   5.807026   5.412236   5.005696
    41  H    3.891112   5.703814   5.821206   6.224512   5.472051
    42  C    3.479788   4.917739   5.717142   4.810061   4.539065
    43  H    3.357151   3.998191   4.873919   4.002146   3.505665
    44  H    4.578835   5.789305   6.653747   5.680967   5.272920
    45  H    3.201981   5.047303   5.876221   4.657187   4.863637
    46  C    3.708623   6.401048   6.835564   6.377370   6.277952
    47  H    4.082925   6.847384   7.105585   6.972919   6.762768
    48  H    3.185709   6.235791   6.669171   6.023859   6.280458
    49  H    4.679355   7.233781   7.771006   7.140790   7.019655
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098858   0.000000
     8  H    1.102033   1.796724   0.000000
     9  H    1.102269   1.795739   1.791964   0.000000
    10  C    2.489085   3.417477   2.778840   2.742696   0.000000
    11  H    2.628480   3.666244   2.472922   2.882530   1.101250
    12  H    3.394401   4.192313   3.652693   3.783844   1.097859
    13  H    2.907668   3.839981   3.373217   2.738732   1.102541
    14  C    7.179018   7.744608   6.659814   7.975738   5.904234
    15  O    7.655990   8.157900   7.004156   8.490573   6.698615
    16  N    6.882490   7.344735   6.542998   7.739836   5.585804
    17  H    7.209176   7.904775   6.705927   7.886803   5.654313
    18  C    7.147863   7.400842   6.842665   8.119202   6.257739
    19  H    6.508122   6.664891   6.335756   7.503481   5.748311
    20  H    8.177330   8.401452   7.917717   9.145479   7.204884
    21  H    7.206268   7.414748   6.765464   8.210552   6.605946
    22  C    6.698456   7.225321   6.558142   7.455702   5.016924
    23  H    7.631251   8.104661   7.565588   8.385717   5.912933
    24  H    5.855710   6.318877   5.840987   6.632089   4.264889
    25  H    6.731260   7.401406   6.556224   7.368172   4.789308
    26  C    3.911467   4.715067   2.922505   4.209046   4.001762
    27  O    4.026012   4.608840   2.944573   4.346496   4.789291
    28  N    4.760861   5.567119   3.837484   5.202372   4.297695
    29  H    3.523744   4.479842   2.732509   3.591380   3.348701
    30  C    5.259518   6.190222   4.546985   5.611147   4.056742
    31  H    6.278684   7.226452   5.537416   6.548984   5.049384
    32  H    5.487351   6.349777   4.863120   5.986689   4.074721
    33  H    4.754524   5.774524   4.193939   4.946286   3.320793
    34  C    5.743037   6.379629   4.753663   6.331215   5.500567
    35  H    6.651330   7.316575   5.632003   7.142429   6.392626
    36  H    5.489673   5.967580   4.453003   6.153325   5.706131
    37  H    6.135210   6.750041   5.241513   6.819961   5.610621
    38  C    5.530659   5.196120   5.203117   6.623446   6.303927
    39  O    5.106754   4.610359   5.022734   6.184732   6.017883
    40  N    5.247844   5.012664   4.680490   6.290103   6.200713
    41  H    6.473835   6.215385   6.124046   7.572962   6.960600
    42  C    4.289064   3.985833   3.669034   5.246937   5.716273
    43  H    3.501187   3.047853   3.114644   4.497569   5.089355
    44  H    4.973311   4.528777   4.375203   5.840700   6.660714
    45  H    4.061870   4.016346   3.216599   4.934193   5.345169
    46  C    6.234001   6.172065   5.494135   7.227316   6.920412
    47  H    7.012118   6.951070   6.343084   8.042942   7.465256
    48  H    5.908232   6.037403   5.067065   6.843149   6.363828
    49  H    6.807459   6.680240   6.011966   7.747003   7.734849
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795874   0.000000
    13  H    1.791323   1.798167   0.000000
    14  C    5.506970   5.288347   6.844682   0.000000
    15  O    6.183968   6.218138   7.680477   1.242893   0.000000
    16  N    5.437912   4.833490   6.546812   1.360928   2.316214
    17  H    5.205620   5.022956   6.485473   1.108187   2.057452
    18  C    6.204179   5.568652   7.282792   2.469515   2.865146
    19  H    5.851450   5.071133   6.767258   3.267556   3.772782
    20  H    7.209058   6.437069   8.194849   3.084171   3.427899
    21  H    6.414318   6.063810   7.676657   2.573945   2.476986
    22  C    5.085115   4.079360   5.848173   2.466094   3.636226
    23  H    6.084371   4.908953   6.678356   3.173943   4.277335
    24  H    4.505604   3.317057   5.115181   3.196056   4.280185
    25  H    4.757110   3.858815   5.513959   2.550068   3.792002
    26  C    2.960341   4.600834   4.599252   5.648650   5.748984
    27  O    3.857695   5.482677   5.388723   6.416437   6.344796
    28  N    3.262061   4.588330   5.022033   4.469547   4.535367
    29  H    2.300493   4.066993   3.744494   6.077168   6.374502
    30  C    3.087081   4.112681   4.674246   4.036332   4.404918
    31  H    4.077342   5.085562   5.556312   4.436649   4.690514
    32  H    3.292903   3.854702   4.823405   2.994954   3.525633
    33  H    2.361251   3.481356   3.761357   4.749284   5.294762
    34  C    4.546273   5.673415   6.335442   4.145294   3.812387
    35  H    5.379201   6.592274   7.143998   4.789331   4.327207
    36  H    4.815611   5.973319   6.586702   4.688518   4.251777
    37  H    4.764828   5.570905   6.519845   3.105698   2.715651
    38  C    6.257553   6.256798   7.339494   5.712255   5.591088
    39  O    6.171318   5.991404   6.979132   6.381701   6.461186
    40  N    5.935570   6.317981   7.230273   5.652486   5.366496
    41  H    6.900929   6.768476   8.027979   5.393490   5.182465
    42  C    5.409783   6.082199   6.643136   6.420048   6.231383
    43  H    4.964111   5.486355   5.968433   6.640765   6.650632
    44  H    6.346645   7.100546   7.528146   7.419766   7.131855
    45  H    4.848338   5.782245   6.253203   6.053570   5.840737
    46  C    6.473351   6.982346   7.974375   5.213209   4.629859
    47  H    7.082338   7.376110   8.550899   4.953858   4.294696
    48  H    5.789442   6.436267   7.405229   4.528883   3.937753
    49  H    7.230732   7.896792   8.752352   6.169681   5.474168
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056665   0.000000
    18  C    1.464988   3.417495   0.000000
    19  H    2.099284   4.090012   1.101678   0.000000
    20  H    2.121554   3.988353   1.102843   1.791070   0.000000
    21  H    2.102264   3.652888   1.097481   1.797698   1.797055
    22  C    1.463269   2.560164   2.491095   2.616754   2.927131
    23  H    2.115525   3.301381   2.800725   2.947835   2.816258
    24  H    2.106725   3.351027   2.729634   2.395855   3.323664
    25  H    2.104829   2.154388   3.418025   3.633762   3.886342
    26  C    6.140529   5.472818   6.803939   6.760814   7.879439
    27  O    6.880068   6.399449   7.337372   7.248474   8.426021
    28  N    5.145810   4.247569   5.936670   6.079504   6.964768
    29  H    6.459952   5.763624   7.228413   7.100609   8.293517
    30  C    4.740660   3.480892   5.826405   6.036148   6.770313
    31  H    5.345810   3.745307   6.510287   6.854390   7.381223
    32  H    3.673767   2.425820   4.834846   5.108914   5.736053
    33  H    5.236639   4.132022   6.340896   6.399176   7.291601
    34  C    5.007493   4.169030   5.616152   5.933860   6.593241
    35  H    5.816302   4.709101   6.483321   6.902515   7.397838
    36  H    5.383852   4.917104   5.729121   5.939690   6.734738
    37  H    4.056166   3.228767   4.696564   5.145792   5.619268
    38  C    5.194165   6.558544   4.299085   3.746628   5.066471
    39  O    5.678181   7.146368   4.819673   4.025024   5.553589
    40  N    5.445249   6.424258   4.801331   4.461167   5.689407
    41  H    4.845727   6.352818   3.737655   3.325635   4.349232
    42  C    6.285616   7.014315   5.880408   5.461060   6.856711
    43  H    6.331647   7.174471   5.954071   5.359876   6.933511
    44  H    7.322441   8.037319   6.841312   6.433014   7.774242
    45  H    6.120703   6.529358   5.953113   5.668406   6.990069
    46  C    5.303560   6.033015   4.722945   4.721061   5.558292
    47  H    4.971149   5.901220   4.183372   4.294766   4.868670
    48  H    4.830005   5.234879   4.549342   4.672743   5.471708
    49  H    6.358914   6.960005   5.783435   5.806316   6.575204
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391372   0.000000
    23  H    3.832429   1.102414   0.000000
    24  H    3.609580   1.102515   1.789788   0.000000
    25  H    4.178613   1.098923   1.797645   1.795170   0.000000
    26  C    6.541549   6.457728   7.559800   6.196101   6.153193
    27  O    6.935141   7.333295   8.430585   7.014516   7.155424
    28  N    5.669592   5.584054   6.672806   5.526700   5.229068
    29  H    7.119288   6.530338   7.614855   6.191575   6.127720
    30  C    5.788022   4.915557   5.959980   4.991808   4.317113
    31  H    6.435689   5.569813   6.549402   5.808120   4.861851
    32  H    4.884342   3.868582   4.901717   4.053916   3.295512
    33  H    6.433534   5.126088   6.153941   5.044415   4.463161
    34  C    5.111668   5.803957   6.841982   5.895745   5.599672
    35  H    5.938327   6.640634   7.646899   6.837008   6.343323
    36  H    5.100634   6.259594   7.293154   6.224841   6.218252
    37  H    4.203284   4.976474   5.963419   5.203833   4.827835
    38  C    3.806606   5.935471   6.574516   5.406204   6.685832
    39  O    4.577716   6.145636   6.734730   5.427767   6.916617
    40  N    4.134852   6.304955   7.092791   5.864949   6.888003
    41  H    3.154111   5.732397   6.251262   5.354101   6.571121
    42  C    5.323450   6.965839   7.854880   6.412243   7.402374
    43  H    5.582997   6.796398   7.663275   6.095770   7.244666
    44  H    6.212667   8.048491   8.920403   7.498334   8.497096
    45  H    5.383757   6.813632   7.786125   6.345786   7.100107
    46  C    3.819953   6.416867   7.206752   6.220996   6.933491
    47  H    3.190269   6.191592   6.856698   6.099001   6.813861
    48  H    3.687433   5.942066   6.819989   5.829334   6.310313
    49  H    4.835731   7.498010   8.294457   7.311838   7.979233
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242640   0.000000
    28  N    1.360983   2.314984   0.000000
    29  H    1.107888   2.057588   2.057037   0.000000
    30  C    2.466393   3.635164   1.463440   2.562570   0.000000
    31  H    3.132548   4.223701   2.117081   3.254680   1.103023
    32  H    3.235064   4.327340   2.108141   3.398206   1.101850
    33  H    2.555502   3.797845   2.103636   2.164536   1.098627
    34  C    2.462405   2.850879   1.465178   3.413404   2.497390
    35  H    3.020864   3.316858   2.123856   3.939849   2.956266
    36  H    2.586902   2.504136   2.100721   3.659994   3.388497
    37  H    3.294053   3.810535   2.098254   4.116236   2.612536
    38  C    6.227503   6.039572   6.118423   6.816794   6.890992
    39  O    6.600178   6.441230   6.649435   7.021433   7.343033
    40  N    5.316839   4.967459   5.275790   6.043122   6.261113
    41  H    6.854342   6.752597   6.543244   7.491284   7.212440
    42  C    4.633716   4.072633   4.960934   5.293107   6.096617
    43  H    4.763027   4.329545   5.208481   5.211494   6.204626
    44  H    5.339538   4.570118   5.779485   6.028560   7.012659
    45  H    3.628198   3.018719   3.992534   4.381884   5.229745
    46  C    5.350208   5.012370   5.054825   6.248191   6.074894
    47  H    6.175740   5.970345   5.701464   7.049148   6.551836
    48  H    4.455728   4.236290   4.030963   5.397182   5.055747
    49  H    5.768913   5.220811   5.594001   6.733301   6.752652
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787664   0.000000
    33  H    1.798864   1.794044   0.000000
    34  C    2.817452   2.732145   3.420546   0.000000
    35  H    2.863628   3.350971   3.911061   1.103438   0.000000
    36  H    3.847432   3.596374   4.169356   1.097485   1.796140
    37  H    2.944673   2.391756   3.628752   1.099505   1.790965
    38  C    7.816993   6.439348   7.263812   5.774762   6.755680
    39  O    8.348460   6.912113   7.543699   6.549119   7.583893
    40  N    7.125569   5.974980   6.711320   4.814356   5.728230
    41  H    8.071984   6.632451   7.688197   6.038336   6.973553
    42  C    6.993322   6.048574   6.393848   4.759735   5.650373
    43  H    7.190816   6.141547   6.326930   5.287480   6.253170
    44  H    7.858051   7.040772   7.317812   5.493752   6.271180
    45  H    6.071573   5.311703   5.565690   3.809159   4.660351
    46  C    6.772084   5.774565   6.737445   4.213228   4.969372
    47  H    7.211471   6.089036   7.268895   4.783470   5.510867
    48  H    5.702405   4.803076   5.782131   3.117920   3.887729
    49  H    7.376495   6.576163   7.435939   4.654431   5.247387
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795810   0.000000
    38  C    5.106537   5.514610   0.000000
    39  O    5.920981   6.345792   1.242991   0.000000
    40  N    4.000455   4.733554   1.361100   2.314899   0.000000
    41  H    5.453278   5.599897   1.108610   2.058332   2.058311
    42  C    3.859833   4.991024   2.469767   2.862265   1.465518
    43  H    4.516689   5.499087   2.574146   2.470671   2.104659
    44  H    4.494761   5.817778   3.090205   3.436629   2.121456
    45  H    2.892006   4.198791   3.263194   3.761644   2.099395
    46  C    3.392930   4.044571   2.467095   3.634692   1.463268
    47  H    4.124198   4.377912   2.554780   3.796897   2.106025
    48  H    2.353652   2.965295   3.152276   4.227139   2.108394
    49  H    3.705556   4.655699   3.216081   4.320407   2.112006
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419084   0.000000
    43  H    3.654463   1.097831   0.000000
    44  H    3.994598   1.102537   1.796776   0.000000
    45  H    4.088057   1.100604   1.795755   1.790013   0.000000
    46  C    2.564873   2.488526   3.384355   2.944740   2.598045
    47  H    2.162519   3.418440   4.184348   3.878901   3.637719
    48  H    3.296498   2.759623   3.607045   3.396707   2.426426
    49  H    3.363465   2.760468   3.802960   2.806518   2.853297
                   46         47         48         49
    46  C    0.000000
    47  H    1.098605   0.000000
    48  H    1.103444   1.795696   0.000000
    49  H    1.101869   1.796650   1.791015   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2144836      0.1947884      0.1845115
 Leave Link  202 at Mon Nov 14 04:31:33 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.1913311739 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843535817 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0069775923 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4035
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.69D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     218
 GePol: Fraction of low-weight points (<1% of avg)   =       5.40%
 GePol: Cavity surface area                          =    468.212 Ang**2
 GePol: Cavity volume                                =    458.443 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040268296 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.0029507626 Hartrees.
 Leave Link  301 at Mon Nov 14 04:31:33 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:31:34 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:31:34 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000381   -0.000217   -0.000002
         Rot=    1.000000    0.000010    0.000002    0.000012 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:31:35 2016, MaxMem=  2952790016 cpu:         6.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48843675.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.88D-15 for   2861.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.35D-15 for   2178   1669.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.55D-15 for   2026.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.93D-08 for   2459   2456.
 Iteration    2 A*A^-1 deviation from unit magnitude is 8.99D-15 for    210.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.24D-14 for   2443    169.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   3189.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.16D-15 for   2439    149.
 E= -1013.45141551585    
 DIIS: error= 2.17D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141551585     IErMin= 1 ErrMin= 2.17D-05
 ErrMax= 2.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.21D-07 BMatP= 9.21D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=5.03D-06 MaxDP=1.79D-04              OVMax= 2.61D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.03D-06    CP:  1.00D+00
 E= -1013.45141702836     Delta-E=       -0.000001512503 Rises=F Damp=F
 DIIS: error= 3.39D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141702836     IErMin= 2 ErrMin= 3.39D-06
 ErrMax= 3.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-08 BMatP= 9.21D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-01 0.983D+00
 Coeff:      0.169D-01 0.983D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.83D-07 MaxDP=5.72D-05 DE=-1.51D-06 OVMax= 9.08D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.60D-07    CP:  1.00D+00  9.58D-01
 E= -1013.45141698635     Delta-E=        0.000000042011 Rises=F Damp=F
 DIIS: error= 9.66D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141702836     IErMin= 2 ErrMin= 3.39D-06
 ErrMax= 9.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.54D-08 BMatP= 1.39D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-02 0.698D+00 0.300D+00
 Coeff:      0.171D-02 0.698D+00 0.300D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.32D-07 MaxDP=5.10D-05 DE= 4.20D-08 OVMax= 8.43D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.40D-07    CP:  1.00D+00  9.73D-01  3.29D-01
 E= -1013.45141703826     Delta-E=       -0.000000051911 Rises=F Damp=F
 DIIS: error= 1.90D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141703826     IErMin= 4 ErrMin= 1.90D-06
 ErrMax= 1.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-09 BMatP= 1.39D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.917D-04 0.265D+00 0.195D+00 0.540D+00
 Coeff:     -0.917D-04 0.265D+00 0.195D+00 0.540D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.76D-07 MaxDP=9.98D-06 DE=-5.19D-08 OVMax= 1.69D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.05D-08    CP:  1.00D+00  9.76D-01  3.81D-01  5.66D-01
 E= -1013.45141704064     Delta-E=       -0.000000002383 Rises=F Damp=F
 DIIS: error= 8.40D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141704064     IErMin= 5 ErrMin= 8.40D-07
 ErrMax= 8.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-10 BMatP= 3.08D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.245D-04 0.148D+00 0.117D+00 0.361D+00 0.374D+00
 Coeff:     -0.245D-04 0.148D+00 0.117D+00 0.361D+00 0.374D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.07D-08 MaxDP=3.56D-06 DE=-2.38D-09 OVMax= 2.93D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.77D-08    CP:  1.00D+00  9.77D-01  3.75D-01  5.84D-01  6.47D-01
 E= -1013.45141704088     Delta-E=       -0.000000000242 Rises=F Damp=F
 DIIS: error= 5.84D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141704088     IErMin= 6 ErrMin= 5.84D-08
 ErrMax= 5.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-12 BMatP= 2.79D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.200D-04 0.389D-01 0.318D-01 0.104D+00 0.144D+00 0.681D+00
 Coeff:     -0.200D-04 0.389D-01 0.318D-01 0.104D+00 0.144D+00 0.681D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.69D-09 MaxDP=2.81D-07 DE=-2.42D-10 OVMax= 3.29D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141704     A.U. after    6 cycles
            NFock=  6  Conv=0.67D-08     -V/T= 2.0213
 KE= 9.923503897197D+02 PE=-6.029548823754D+03 EE= 2.174744066230D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:33:00 2016, MaxMem=  2952790016 cpu:       962.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 04:33:09 2016, MaxMem=  2952790016 cpu:        97.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:33:09 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:33:46 2016, MaxMem=  2952790016 cpu:       441.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24616633D+00-2.53666004D+00 3.31996197D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000012080   -0.000027835   -0.000079695
      2        6           0.000006689    0.000028735    0.000004017
      3        8           0.000025184    0.000024543    0.000000088
      4        7           0.000030490    0.000029353    0.000014247
      5        1           0.000015708    0.000018724    0.000017617
      6        6           0.000002353    0.000022934    0.000039492
      7        1           0.000009866    0.000018269    0.000029386
      8        1           0.000000925    0.000012679    0.000038223
      9        1           0.000012833    0.000020088    0.000037149
     10        6           0.000010371    0.000036849    0.000008864
     11        1           0.000014754    0.000015894    0.000017355
     12        1           0.000020026    0.000023859    0.000007294
     13        1           0.000023739    0.000030327    0.000020233
     14        6          -0.000005846   -0.000006577   -0.000022756
     15        8          -0.000007564   -0.000011684   -0.000025091
     16        7           0.000002063   -0.000003188   -0.000020219
     17        1           0.000004706   -0.000000085   -0.000026279
     18        6           0.000004814   -0.000006284   -0.000035863
     19        1           0.000009325   -0.000010136   -0.000036088
     20        1           0.000003804   -0.000006985   -0.000046187
     21        1          -0.000005686   -0.000013177   -0.000032865
     22        6           0.000008000    0.000007860   -0.000011122
     23        1           0.000017157    0.000015749   -0.000047141
     24        1           0.000007144    0.000009641   -0.000017180
     25        1           0.000015584    0.000010364   -0.000030099
     26        6           0.000003693    0.000003347    0.000017904
     27        8          -0.000021799   -0.000006110    0.000028944
     28        7          -0.000007954   -0.000013061    0.000020901
     29        1           0.000005385    0.000009124    0.000032511
     30        6           0.000007645    0.000006530    0.000025474
     31        1           0.000002632    0.000000972    0.000000909
     32        1           0.000006653    0.000007115   -0.000002781
     33        1          -0.000000258    0.000012824    0.000009309
     34        6          -0.000013940   -0.000007829    0.000008747
     35        1          -0.000017972   -0.000021253    0.000009183
     36        1          -0.000010389   -0.000015626    0.000016541
     37        1          -0.000017703   -0.000010620   -0.000007107
     38        6           0.000008813   -0.000000846    0.000001209
     39        8          -0.000013510   -0.000005408   -0.000010687
     40        7          -0.000027526   -0.000036775    0.000013256
     41        1          -0.000010216   -0.000018816   -0.000020649
     42        6           0.000040718    0.000047982   -0.000029687
     43        1          -0.000011916   -0.000009582    0.000017130
     44        1          -0.000050879   -0.000054544    0.000061884
     45        1          -0.000012254   -0.000022278    0.000025572
     46        6          -0.000023721   -0.000033205   -0.000030734
     47        1          -0.000025061   -0.000018810   -0.000001933
     48        1          -0.000021654   -0.000021571    0.000004134
     49        1          -0.000027303   -0.000031479    0.000006588
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000079695 RMS     0.000021974
 Leave Link  716 at Mon Nov 14 04:33:46 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000010031 RMS     0.000001986
 Search for a local minimum.
 Step number 100 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .19863D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
 DE= -8.24D-08 DEPred=-4.98D-08 R= 1.65D+00
 Trust test= 1.65D+00 RLast= 1.09D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1
 ITU=  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1
 ITU=  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
     Eigenvalues ---    0.00006   0.00038   0.00051   0.00095   0.00106
     Eigenvalues ---    0.00122   0.00161   0.00199   0.00215   0.00238
     Eigenvalues ---    0.00274   0.00315   0.00385   0.00434   0.00532
     Eigenvalues ---    0.00585   0.00689   0.00778   0.00800   0.00835
     Eigenvalues ---    0.00909   0.00988   0.01047   0.01080   0.01187
     Eigenvalues ---    0.01217   0.01230   0.01317   0.01392   0.01504
     Eigenvalues ---    0.01584   0.01684   0.01713   0.01746   0.01814
     Eigenvalues ---    0.01821   0.01870   0.01924   0.01956   0.02061
     Eigenvalues ---    0.02193   0.02304   0.02363   0.02457   0.02511
     Eigenvalues ---    0.02636   0.02928   0.03041   0.03107   0.03658
     Eigenvalues ---    0.04330   0.04423   0.04972   0.05147   0.05578
     Eigenvalues ---    0.05870   0.05947   0.06251   0.06270   0.06430
     Eigenvalues ---    0.06534   0.06905   0.07267   0.07467   0.07496
     Eigenvalues ---    0.07698   0.07766   0.08031   0.08145   0.08290
     Eigenvalues ---    0.08475   0.08559   0.08860   0.09007   0.09290
     Eigenvalues ---    0.09450   0.09483   0.09796   0.09914   0.10070
     Eigenvalues ---    0.10118   0.10293   0.10486   0.10669   0.10951
     Eigenvalues ---    0.11143   0.11313   0.11367   0.11665   0.13223
     Eigenvalues ---    0.13528   0.14187   0.14714   0.15141   0.15193
     Eigenvalues ---    0.15528   0.15681   0.20621   0.22123   0.22921
     Eigenvalues ---    0.23454   0.24578   0.24726   0.25861   0.26455
     Eigenvalues ---    0.26860   0.27305   0.28306   0.29240   0.29599
     Eigenvalues ---    0.29817   0.30724   0.32802   0.32824   0.32833
     Eigenvalues ---    0.32926   0.33301   0.33355   0.33364   0.33377
     Eigenvalues ---    0.33402   0.33421   0.33496   0.33532   0.33701
     Eigenvalues ---    0.33798   0.33823   0.33842   0.33921   0.33949
     Eigenvalues ---    0.34044   0.34209   0.34267   0.37268   0.38788
     Eigenvalues ---    0.39842   0.40899   0.85962   0.86103   0.86457
     Eigenvalues ---    0.89320
 Eigenvalue     1 is   5.73D-05 Eigenvector:
                         D399      D381      D397      D383      D385
   1                   -0.23330  -0.22936  -0.21748  -0.21691  -0.21544
                         D387      D395      D405      D403      D407
   1                   -0.21309  -0.20946  -0.20888  -0.20812  -0.20751
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   100   99   98   97   96
 RFO step:  Lambda=-1.07678453D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.71D-07 SmlDif=  1.00D-05
 RMS Error=  0.1061405249D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.58776   -0.12123   -0.90872    0.40297    0.03922
 Iteration  1 RMS(Cart)=  0.00041562 RMS(Int)=  0.00000013
 Iteration  2 RMS(Cart)=  0.00000012 RMS(Int)=  0.00000008
 ITry= 1 IFail=0 DXMaxC= 3.00D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59483   0.00000  -0.00022  -0.00005  -0.00027   6.59455
    R2        6.26235   0.00000  -0.00044   0.00002  -0.00042   6.26193
    R3        7.25089   0.00000  -0.00064  -0.00015  -0.00079   7.25010
    R4        6.34510   0.00000  -0.00054  -0.00019  -0.00073   6.34437
    R5        6.52850   0.00000  -0.00020   0.00002  -0.00017   6.52833
    R6        5.97362   0.00000   0.00010  -0.00007   0.00003   5.97365
    R7        6.70131   0.00000   0.00006  -0.00021  -0.00015   6.70116
    R8        6.22958   0.00000   0.00000   0.00001   0.00001   6.22959
    R9        6.66276   0.00000   0.00032   0.00007   0.00038   6.66315
   R10        6.06488   0.00000   0.00010  -0.00010   0.00000   6.06489
   R11        6.95298   0.00000  -0.00002  -0.00002  -0.00003   6.95295
   R12        6.02754   0.00000   0.00004  -0.00001   0.00003   6.02757
   R13        6.88814   0.00000   0.00035  -0.00002   0.00033   6.88848
   R14        6.19446   0.00000  -0.00040   0.00001  -0.00039   6.19407
   R15        6.86001   0.00000  -0.00085  -0.00011  -0.00097   6.85904
   R16        5.94869   0.00000  -0.00071  -0.00013  -0.00084   5.94785
   R17        6.68635   0.00000   0.00008   0.00012   0.00020   6.68655
   R18        6.57695   0.00000  -0.00010  -0.00037  -0.00047   6.57648
   R19        6.22134   0.00000  -0.00011   0.00003  -0.00007   6.22127
   R20        6.57585   0.00000  -0.00008   0.00011   0.00002   6.57587
   R21        6.05087   0.00000   0.00015  -0.00012   0.00003   6.05090
   R22        7.00828   0.00000  -0.00023   0.00011  -0.00012   7.00816
   R23        6.02012   0.00000  -0.00001   0.00021   0.00020   6.02032
   R24        2.34966   0.00000   0.00000   0.00000   0.00000   2.34966
   R25        2.57150   0.00001   0.00001   0.00001   0.00002   2.57151
   R26        2.09473   0.00000  -0.00001   0.00000  -0.00001   2.09472
   R27        2.76512   0.00000  -0.00001  -0.00001  -0.00002   2.76510
   R28        2.76829   0.00000   0.00001  -0.00001   0.00000   2.76829
   R29        2.07654   0.00000   0.00000   0.00000   0.00000   2.07654
   R30        2.08254   0.00000   0.00002   0.00001   0.00003   2.08257
   R31        2.08299   0.00000   0.00001   0.00000   0.00001   2.08300
   R32        2.08106   0.00000   0.00000   0.00000   0.00000   2.08106
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07465
   R34        2.08350   0.00000   0.00001   0.00000   0.00000   2.08351
   R35        2.34873   0.00000   0.00000   0.00000   0.00000   2.34873
   R36        2.57178   0.00000  -0.00001   0.00000  -0.00001   2.57177
   R37        2.09417   0.00000   0.00000   0.00000   0.00001   2.09418
   R38        2.76843  -0.00001  -0.00004  -0.00001  -0.00004   2.76838
   R39        2.76518   0.00000  -0.00002  -0.00001  -0.00003   2.76515
   R40        2.08187   0.00000  -0.00001   0.00000  -0.00001   2.08186
   R41        2.08407   0.00000   0.00001   0.00000   0.00001   2.08408
   R42        2.07394   0.00000  -0.00001   0.00000  -0.00001   2.07393
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08345   0.00000   0.00000   0.00001   0.00001   2.08346
   R45        2.07666   0.00000   0.00000   0.00000   0.00000   2.07667
   R46        2.34825   0.00000  -0.00001   0.00000  -0.00002   2.34823
   R47        2.57189   0.00001   0.00001   0.00000   0.00001   2.57190
   R48        2.09360   0.00000   0.00000   0.00000   0.00000   2.09361
   R49        2.76550   0.00000   0.00001   0.00000   0.00001   2.76551
   R50        2.76879   0.00000  -0.00001   0.00000  -0.00001   2.76878
   R51        2.08441   0.00000   0.00000   0.00000   0.00000   2.08442
   R52        2.08220   0.00000   0.00001   0.00000   0.00002   2.08221
   R53        2.07610   0.00000   0.00000   0.00000   0.00000   2.07611
   R54        2.08520   0.00000   0.00001   0.00000   0.00001   2.08520
   R55        2.07395   0.00000   0.00000   0.00000   0.00000   2.07395
   R56        2.07776   0.00000   0.00000   0.00000   0.00000   2.07776
   R57        2.34891   0.00001   0.00001   0.00000   0.00001   2.34893
   R58        2.57211   0.00000  -0.00003   0.00000  -0.00003   2.57208
   R59        2.09497   0.00000   0.00000   0.00000   0.00000   2.09497
   R60        2.76943   0.00001   0.00000  -0.00001  -0.00001   2.76942
   R61        2.76518  -0.00001   0.00002  -0.00001   0.00001   2.76519
   R62        2.07460   0.00000   0.00000  -0.00001  -0.00001   2.07459
   R63        2.08349   0.00000   0.00000   0.00000   0.00000   2.08349
   R64        2.07984   0.00000  -0.00002   0.00000  -0.00001   2.07983
   R65        2.07606   0.00000   0.00000   0.00000   0.00000   2.07606
   R66        2.08521   0.00000  -0.00001   0.00000  -0.00001   2.08520
   R67        2.08223   0.00000   0.00000   0.00000   0.00000   2.08223
    A1        0.68044   0.00000   0.00006   0.00001   0.00007   0.68051
    A2        0.95731   0.00000   0.00010   0.00002   0.00012   0.95743
    A3        0.72719   0.00000   0.00003   0.00000   0.00003   0.72722
    A4        1.01919   0.00000   0.00004   0.00001   0.00005   1.01924
    A5        2.34864   0.00000   0.00023   0.00014   0.00037   2.34902
    A6        2.02740   0.00000   0.00009   0.00007   0.00016   2.02756
    A7        1.97852   0.00000  -0.00016  -0.00004  -0.00020   1.97833
    A8        1.68531   0.00000  -0.00017  -0.00006  -0.00023   1.68508
    A9        1.65849   0.00000   0.00019   0.00011   0.00030   1.65879
   A10        1.37657   0.00000   0.00015   0.00010   0.00025   1.37682
   A11        1.73391   0.00000   0.00011   0.00000   0.00011   1.73402
   A12        2.03886   0.00000   0.00014   0.00004   0.00018   2.03904
   A13        1.94486   0.00000   0.00018   0.00009   0.00028   1.94514
   A14        2.03419   0.00000   0.00028   0.00013   0.00041   2.03460
   A15        2.43265   0.00000   0.00009   0.00000   0.00009   2.43274
   A16        1.58657   0.00000  -0.00024  -0.00014  -0.00037   1.58620
   A17        1.78728   0.00000  -0.00025  -0.00015  -0.00039   1.78688
   A18        1.56653   0.00000  -0.00023  -0.00013  -0.00036   1.56616
   A19        1.70741   0.00000  -0.00014  -0.00014  -0.00029   1.70712
   A20        2.19082   0.00000  -0.00023  -0.00016  -0.00038   2.19044
   A21        2.41081   0.00000  -0.00029  -0.00018  -0.00047   2.41034
   A22        0.64317   0.00000   0.00005   0.00001   0.00005   0.64322
   A23        0.65934   0.00000   0.00003   0.00001   0.00004   0.65938
   A24        2.40387   0.00000   0.00047   0.00022   0.00070   2.40457
   A25        2.22810   0.00000   0.00026   0.00014   0.00041   2.22851
   A26        2.32237   0.00000  -0.00004   0.00000  -0.00004   2.32233
   A27        2.05723   0.00000  -0.00011  -0.00003  -0.00014   2.05710
   A28        1.82044   0.00000   0.00028   0.00015   0.00043   1.82087
   A29        1.57904   0.00000   0.00021   0.00012   0.00032   1.57936
   A30        1.34039   0.00000   0.00008   0.00000   0.00008   1.34047
   A31        1.64025   0.00000   0.00012   0.00003   0.00016   1.64041
   A32        1.59194   0.00000   0.00019   0.00009   0.00027   1.59222
   A33        1.74606   0.00000   0.00030   0.00012   0.00043   1.74648
   A34        2.03613   0.00000   0.00008   0.00000   0.00008   2.03621
   A35        1.85133   0.00000  -0.00016  -0.00011  -0.00027   1.85106
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   A268       1.91393   0.00000   0.00000   0.00002   0.00003   1.91396
   A269       1.91141   0.00000  -0.00002  -0.00001  -0.00002   1.91139
   A270       2.67319   0.00000   0.00007   0.00000   0.00007   2.67326
   A271       1.68986   0.00000  -0.00008   0.00000  -0.00009   1.68978
   A272       1.92499   0.00000   0.00003   0.00000   0.00003   1.92502
   A273       1.91263   0.00000  -0.00001   0.00000  -0.00002   1.91261
   A274       1.91377   0.00000   0.00001   0.00002   0.00003   1.91379
   A275       1.89419   0.00000  -0.00001  -0.00002  -0.00003   1.89415
   A276       1.91104   0.00000   0.00001   0.00000   0.00001   1.91105
   A277       1.90702   0.00000  -0.00002   0.00001  -0.00001   1.90701
   A278       1.81249  -0.00001   0.00043   0.00006   0.00049   1.81298
   A279       1.75021   0.00000  -0.00016  -0.00007  -0.00023   1.74998
   A280       2.18986   0.00000   0.00001   0.00000   0.00001   2.18987
   A281       2.13059   0.00000  -0.00002   0.00000  -0.00002   2.13057
   A282       1.96266   0.00000   0.00001   0.00000   0.00001   1.96267
   A283       2.12288   0.00000  -0.00004  -0.00001  -0.00004   2.12284
   A284       2.11488   0.00000  -0.00001   0.00000  -0.00001   2.11487
   A285       2.04247   0.00000   0.00002   0.00001   0.00004   2.04251
   A286       2.70186   0.00000   0.00023   0.00004   0.00027   2.70213
   A287       1.65697   0.00000  -0.00026  -0.00005  -0.00031   1.65666
   A288       1.92631   0.00000   0.00005   0.00001   0.00006   1.92637
   A289       1.91509   0.00000   0.00004   0.00001   0.00005   1.91514
   A290       1.91222   0.00000  -0.00002   0.00000  -0.00003   1.91219
   A291       1.89096   0.00000  -0.00005   0.00000  -0.00005   1.89091
   A292       1.91256   0.00000   0.00000   0.00000   0.00000   1.91256
   A293       1.90648   0.00000  -0.00002  -0.00001  -0.00003   1.90645
   A294       1.34899   0.00000   0.00038   0.00013   0.00051   1.34950
   A295       1.15541   0.00000  -0.00011  -0.00010  -0.00021   1.15521
   A296       1.93323   0.00000  -0.00001   0.00001  -0.00001   1.93323
   A297       1.90727   0.00000   0.00003   0.00000   0.00003   1.90730
   A298       1.90177   0.00000   0.00002   0.00000   0.00002   1.90178
   A299       1.90920   0.00000  -0.00004   0.00001  -0.00003   1.90918
   A300       1.89853   0.00000  -0.00003   0.00000  -0.00003   1.89850
   A301       1.91375   0.00000   0.00002  -0.00001   0.00002   1.91376
   A302       1.64637   0.00000   0.00007  -0.00013  -0.00006   1.64631
   A303       1.80605   0.00000  -0.00004  -0.00001  -0.00005   1.80601
   A304       2.18902   0.00001  -0.00002   0.00001  -0.00001   2.18901
   A305       2.13026   0.00000   0.00001   0.00000   0.00001   2.13026
   A306       1.96355   0.00000   0.00001  -0.00001   0.00001   1.96355
   A307       2.12497   0.00000  -0.00001   0.00002   0.00001   2.12498
   A308       2.12397   0.00000   0.00003   0.00000   0.00004   2.12401
   A309       2.03075   0.00000  -0.00003  -0.00003  -0.00006   2.03069
   A310       1.30002   0.00000  -0.00013   0.00014   0.00001   1.30003
   A311       3.05028  -0.00001   0.00011  -0.00016  -0.00005   3.05022
   A312       1.91196   0.00000   0.00003   0.00000   0.00003   1.91198
   A313       1.93041   0.00000   0.00003   0.00001   0.00005   1.93046
   A314       1.90180   0.00000  -0.00007   0.00000  -0.00007   1.90173
   A315       1.91092   0.00001   0.00002   0.00001   0.00003   1.91094
   A316       1.91180   0.00000   0.00003   0.00001   0.00003   1.91183
   A317       1.89679   0.00000  -0.00003  -0.00003  -0.00006   1.89674
   A318       1.78215   0.00001  -0.00035  -0.00004  -0.00039   1.78176
   A319       1.91577   0.00000   0.00000   0.00002   0.00002   1.91579
   A320       1.91397   0.00000  -0.00004  -0.00001  -0.00006   1.91391
   A321       1.92065   0.00000   0.00001   0.00000   0.00001   1.92066
   A322       1.90706   0.00000   0.00001   0.00002   0.00003   1.90710
   A323       1.91059  -0.00001   0.00002  -0.00002   0.00000   1.91058
   A324       1.89561   0.00000   0.00000  -0.00001   0.00000   1.89561
   A325       2.93584   0.00000  -0.00005  -0.00003  -0.00008   2.93576
   A326       3.36590   0.00000   0.00004  -0.00003   0.00001   3.36591
   A327       3.08398   0.00000   0.00001  -0.00004  -0.00004   3.08394
   A328       3.19767   0.00000  -0.00001   0.00005   0.00005   3.19771
   A329       3.27256   0.00000   0.00025   0.00013   0.00038   3.27294
   A330       3.25819   0.00000   0.00034   0.00014   0.00048   3.25867
   A331       3.69274   0.00000  -0.00033  -0.00006  -0.00039   3.69235
   A332       3.22420   0.00000   0.00030   0.00017   0.00046   3.22466
   A333       2.97114   0.00000  -0.00050  -0.00017  -0.00067   2.97047
   A334       2.90570   0.00000  -0.00038  -0.00012  -0.00050   2.90520
   A335       3.22939   0.00000  -0.00016   0.00003  -0.00013   3.22926
   A336       3.07610   0.00000   0.00002  -0.00003  -0.00001   3.07609
   A337       3.10482   0.00000   0.00003  -0.00004  -0.00001   3.10481
   A338       3.04616   0.00000   0.00004   0.00004   0.00008   3.04624
    D1        2.75807   0.00000   0.00002   0.00001   0.00003   2.75810
    D2       -1.36110   0.00000   0.00006   0.00000   0.00006  -1.36105
    D3        2.78058   0.00000  -0.00010  -0.00003  -0.00014   2.78045
    D4       -1.33859   0.00000  -0.00007  -0.00004  -0.00011  -1.33870
    D5        1.66193   0.00000   0.00001  -0.00001   0.00000   1.66193
    D6       -2.45724   0.00000   0.00005  -0.00002   0.00003  -2.45721
    D7        1.84293   0.00000   0.00001  -0.00003  -0.00002   1.84290
    D8       -2.27624   0.00000   0.00005  -0.00004   0.00000  -2.27624
    D9        0.30788   0.00000  -0.00069  -0.00029  -0.00098   0.30690
   D10        2.47189   0.00000  -0.00065  -0.00029  -0.00095   2.47095
   D11        0.02511   0.00000  -0.00046  -0.00022  -0.00068   0.02444
   D12        2.18913   0.00000  -0.00043  -0.00022  -0.00065   2.18848
   D13       -0.44361   0.00000  -0.00040  -0.00020  -0.00060  -0.44421
   D14        1.72040   0.00000  -0.00036  -0.00021  -0.00057   1.71983
   D15       -0.56332   0.00000  -0.00029  -0.00014  -0.00043  -0.56375
   D16        1.60070   0.00000  -0.00025  -0.00015  -0.00040   1.60030
   D17        0.20822   0.00000  -0.00024  -0.00013  -0.00037   0.20784
   D18        2.37223   0.00000  -0.00021  -0.00014  -0.00034   2.37189
   D19        0.14277   0.00000  -0.00012  -0.00008  -0.00020   0.14257
   D20        2.30679   0.00000  -0.00008  -0.00009  -0.00017   2.30661
   D21        2.39625   0.00000  -0.00007  -0.00003  -0.00010   2.39615
   D22       -1.72292   0.00000  -0.00003  -0.00004  -0.00007  -1.72299
   D23        2.15389   0.00000   0.00001   0.00002   0.00003   2.15392
   D24       -1.96528   0.00000   0.00005   0.00001   0.00006  -1.96522
   D25        1.71040   0.00000  -0.00010  -0.00001  -0.00011   1.71029
   D26       -2.40877   0.00000  -0.00006  -0.00002  -0.00008  -2.40885
   D27        1.40330   0.00000  -0.00015  -0.00002  -0.00018   1.40313
   D28       -2.71587   0.00000  -0.00012  -0.00003  -0.00015  -2.71602
   D29        2.36653   0.00000   0.00018   0.00012   0.00029   2.36683
   D30       -1.75264   0.00000   0.00021   0.00011   0.00032  -1.75231
   D31       -1.74903   0.00000   0.00022   0.00005   0.00027  -1.74875
   D32        0.41499   0.00000   0.00026   0.00004   0.00030   0.41529
   D33       -2.09908   0.00000   0.00023   0.00003   0.00025  -2.09883
   D34        0.06493   0.00000   0.00026   0.00002   0.00028   0.06521
   D35       -2.47427   0.00000   0.00022   0.00003   0.00025  -2.47402
   D36       -0.31025   0.00000   0.00026   0.00002   0.00028  -0.30997
   D37       -2.76292   0.00000   0.00026   0.00004   0.00030  -2.76263
   D38       -0.59891   0.00000   0.00030   0.00003   0.00033  -0.59858
   D39       -2.12449   0.00000   0.00022   0.00001   0.00023  -2.12426
   D40        0.03952   0.00000   0.00026   0.00001   0.00026   0.03978
   D41       -2.36671   0.00000   0.00012   0.00002   0.00014  -2.36658
   D42       -0.20270   0.00000   0.00016   0.00001   0.00017  -0.20253
   D43        1.26352   0.00000   0.00019   0.00006   0.00024   1.26376
   D44       -1.92819   0.00000   0.00009  -0.00003   0.00007  -1.92812
   D45        2.45773   0.00000   0.00015   0.00004   0.00019   2.45792
   D46       -0.73397   0.00000   0.00006  -0.00004   0.00001  -0.73396
   D47        2.94337   0.00000   0.00015   0.00002   0.00018   2.94354
   D48       -0.24834   0.00000   0.00006  -0.00006   0.00000  -0.24834
   D49        2.86710   0.00000   0.00023   0.00014   0.00037   2.86747
   D50       -0.32461   0.00000   0.00014   0.00005   0.00020  -0.32441
   D51        2.04032   0.00000  -0.00040  -0.00020  -0.00060   2.03972
   D52       -1.15139   0.00000  -0.00050  -0.00028  -0.00078  -1.15217
   D53        1.14497   0.00000  -0.00063  -0.00034  -0.00097   1.14400
   D54       -2.04674   0.00000  -0.00072  -0.00042  -0.00114  -2.04789
   D55        1.01078   0.00000  -0.00022  -0.00014  -0.00036   1.01042
   D56       -2.18093   0.00000  -0.00031  -0.00022  -0.00053  -2.18146
   D57        2.02103   0.00000   0.00002  -0.00003  -0.00001   2.02102
   D58       -1.17068   0.00000  -0.00007  -0.00011  -0.00018  -1.17086
   D59        1.82655   0.00000   0.00011   0.00001   0.00012   1.82668
   D60       -1.36515   0.00000   0.00002  -0.00007  -0.00005  -1.36521
   D61       -2.28097   0.00000   0.00010   0.00002   0.00012  -2.28085
   D62        0.81051   0.00000   0.00001  -0.00006  -0.00005   0.81045
   D63       -2.41344   0.00000   0.00022   0.00008   0.00031  -2.41314
   D64        0.67803   0.00000   0.00013   0.00000   0.00013   0.67817
   D65       -2.81609   0.00000   0.00019   0.00009   0.00028  -2.81580
   D66        0.27539   0.00000   0.00010   0.00001   0.00011   0.27550
   D67       -2.99129   0.00000   0.00025   0.00013   0.00038  -2.99092
   D68        0.10019   0.00000   0.00016   0.00004   0.00020   0.10039
   D69       -2.13508   0.00000   0.00031   0.00013   0.00044  -2.13464
   D70        0.95640   0.00000   0.00022   0.00005   0.00027   0.95667
   D71       -0.15671   0.00000   0.00048   0.00018   0.00066  -0.15605
   D72        2.93477   0.00000   0.00039   0.00009   0.00049   2.93525
   D73       -0.55521   0.00000   0.00049   0.00017   0.00066  -0.55455
   D74        2.53627   0.00000   0.00040   0.00008   0.00048   2.53675
   D75       -0.72337   0.00000   0.00051   0.00016   0.00068  -0.72270
   D76        2.36810   0.00000   0.00042   0.00008   0.00050   2.36861
   D77       -1.06148   0.00000   0.00049   0.00016   0.00066  -1.06083
   D78        2.03000   0.00000   0.00040   0.00008   0.00048   2.03048
   D79       -0.83980   0.00000   0.00045   0.00017   0.00063  -0.83918
   D80        2.25167   0.00000   0.00036   0.00009   0.00045   2.25213
   D81       -1.14304   0.00000   0.00042   0.00018   0.00061  -1.14243
   D82        1.94843   0.00000   0.00033   0.00010   0.00043   1.94887
   D83       -1.53285   0.00000  -0.00008   0.00003  -0.00004  -1.53289
   D84       -2.60885   0.00000  -0.00014   0.00003  -0.00011  -2.60896
   D85       -2.94740   0.00000  -0.00024   0.00000  -0.00024  -2.94764
   D86        0.73367   0.00000  -0.00027  -0.00001  -0.00027   0.73340
   D87        0.30898   0.00000  -0.00032  -0.00005  -0.00037   0.30861
   D88       -0.07038   0.00000  -0.00053  -0.00016  -0.00069  -0.07107
   D89       -0.40696   0.00000  -0.00046  -0.00013  -0.00058  -0.40755
   D90        0.18363   0.00000  -0.00015   0.00002  -0.00013   0.18350
   D91       -0.05412   0.00000  -0.00008   0.00005  -0.00003  -0.05415
   D92        2.39875   0.00000  -0.00020   0.00002  -0.00019   2.39857
   D93        2.05216   0.00000  -0.00012   0.00005  -0.00007   2.05208
   D94        1.65682   0.00000  -0.00019   0.00003  -0.00017   1.65665
   D95        1.37078   0.00000  -0.00018   0.00005  -0.00013   1.37064
   D96        2.05778   0.00000  -0.00002   0.00011   0.00009   2.05787
   D97       -1.89163   0.00000   0.00026   0.00015   0.00041  -1.89122
   D98       -2.43143   0.00000   0.00033   0.00018   0.00051  -2.43092
   D99       -2.64902   0.00000   0.00024   0.00015   0.00039  -2.64863
   D100      -2.97867   0.00000   0.00020   0.00017   0.00037  -2.97830
   D101      -2.90272   0.00000   0.00044   0.00031   0.00075  -2.90197
   D102       2.84467   0.00000   0.00043   0.00035   0.00078   2.84545
   D103      -2.89078   0.00000   0.00069   0.00025   0.00093  -2.88984
   D104       1.20675   0.00000   0.00070   0.00027   0.00097   1.20772
   D105       2.81688   0.00000   0.00049   0.00014   0.00063   2.81751
   D106       0.63122   0.00000   0.00051   0.00017   0.00067   0.63189
   D107       2.31102   0.00000   0.00012  -0.00003   0.00008   2.31110
   D108       0.12536   0.00000   0.00013  -0.00001   0.00012   0.12548
   D109       1.74292  -0.00001  -0.00035  -0.00022  -0.00057   1.74235
   D110      -0.44274  -0.00001  -0.00033  -0.00020  -0.00053  -0.44327
   D111       2.59399   0.00000   0.00026   0.00007   0.00033   2.59432
   D112       0.40833   0.00000   0.00027   0.00009   0.00036   0.40870
   D113       2.25584   0.00000   0.00016   0.00004   0.00021   2.25604
   D114       0.07018   0.00000   0.00018   0.00007   0.00024   0.07042
   D115      -1.61172   0.00000  -0.00002  -0.00004  -0.00006  -1.61178
   D116       2.48581   0.00000  -0.00001  -0.00002  -0.00002   2.48579
   D117      -1.77034   0.00000   0.00006  -0.00001   0.00006  -1.77028
   D118       2.32719   0.00000   0.00008   0.00002   0.00009   2.32728
   D119      -2.73550   0.00000  -0.00001   0.00000  -0.00001  -2.73552
   D120       1.36202   0.00000   0.00001   0.00002   0.00003   1.36205
   D121      -2.69582   0.00000   0.00002   0.00001   0.00003  -2.69580
   D122       1.40170   0.00000   0.00004   0.00003   0.00006   1.40177
   D123       1.33078   0.00000   0.00008   0.00001   0.00010   1.33088
   D124      -0.85488   0.00000   0.00010   0.00004   0.00014  -0.85474
   D125       1.30174   0.00000   0.00016   0.00004   0.00020   1.30194
   D126      -0.88392   0.00000   0.00018   0.00006   0.00024  -0.88368
   D127       1.65861   0.00000   0.00024   0.00005   0.00029   1.65890
   D128      -0.52705   0.00000   0.00026   0.00007   0.00033  -0.52672
   D129       1.78247   0.00000   0.00022   0.00004   0.00027   1.78274
   D130      -0.40319   0.00000   0.00024   0.00007   0.00030  -0.40289
   D131       0.90182   0.00000   0.00023   0.00007   0.00029   0.90211
   D132      -1.28384   0.00000   0.00024   0.00009   0.00033  -1.28351
   D133      -0.95376   0.00000  -0.00012  -0.00007  -0.00019  -0.95396
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   D138      -2.42840   0.00000  -0.00045  -0.00013  -0.00059  -2.42899
   D139       0.16240   0.00000  -0.00049  -0.00016  -0.00065   0.16175
   D140      -2.02326   0.00000  -0.00047  -0.00014  -0.00061  -2.02387
   D141      -0.30814   0.00000  -0.00007  -0.00004  -0.00011  -0.30825
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   D144      -2.24158   0.00000   0.00009   0.00001   0.00010  -2.24148
   D145      -2.46736   0.00000   0.00047   0.00021   0.00068  -2.46669
   D146      -2.71331   0.00000   0.00068   0.00030   0.00098  -2.71234
   D147      -2.38622   0.00000   0.00102   0.00048   0.00151  -2.38471
   D148       3.01217   0.00000   0.00056   0.00025   0.00081   3.01298
   D149       2.62878   0.00000   0.00054   0.00024   0.00077   2.62955
   D150       1.51214   0.00000  -0.00010  -0.00006  -0.00016   1.51199
   D151       2.61391   0.00000  -0.00007  -0.00004  -0.00011   2.61380
   D152       2.99052   0.00000  -0.00005  -0.00002  -0.00007   2.99045
   D153       1.18550   0.00000   0.00001  -0.00001  -0.00001   1.18549
   D154       1.24662   0.00000   0.00007   0.00001   0.00008   1.24670
   D155       1.63877   0.00000   0.00018   0.00004   0.00022   1.63899
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   D380      -2.73506   0.00000   0.00048   0.00023   0.00071  -2.73435
   D381       1.10600   0.00000   0.00105  -0.00028   0.00077   1.10677
   D382      -2.19201   0.00000   0.00031   0.00019   0.00050  -2.19151
   D383       1.64905   0.00000   0.00088  -0.00032   0.00056   1.64961
   D384      -1.95598   0.00000   0.00017   0.00016   0.00033  -1.95565
   D385       1.88508   0.00000   0.00074  -0.00035   0.00039   1.88547
   D386      -1.62847   0.00000   0.00008   0.00013   0.00020  -1.62827
   D387       2.21259   0.00000   0.00065  -0.00038   0.00026   2.21285
   D388      -1.69608   0.00000   0.00001   0.00009   0.00009  -1.69599
   D389       2.14498   0.00000   0.00057  -0.00042   0.00015   2.14513
   D390      -1.12792   0.00000  -0.00034  -0.00003  -0.00037  -1.12830
   D391       2.71314  -0.00001   0.00023  -0.00054  -0.00031   2.71282
   D392       1.79884   0.00000  -0.00007   0.00003  -0.00004   1.79880
   D393      -0.64328   0.00000   0.00050  -0.00048   0.00002  -0.64326
   D394       2.10224   0.00000  -0.00008   0.00004  -0.00003   2.10221
   D395      -0.33988   0.00000   0.00049  -0.00047   0.00003  -0.33986
   D396       2.05745   0.00000  -0.00004   0.00006   0.00002   2.05746
   D397      -0.38468   0.00000   0.00052  -0.00045   0.00007  -0.38460
   D398       2.26987   0.00000   0.00016   0.00010   0.00026   2.27013
   D399      -0.17226   0.00000   0.00073  -0.00041   0.00032  -0.17193
   D400       2.49920   0.00000  -0.00011   0.00003  -0.00008   2.49912
   D401       0.05708   0.00000   0.00046  -0.00048  -0.00002   0.05705
   D402      -1.53715   0.00000  -0.00011   0.00007  -0.00004  -1.53719
   D403       2.30391   0.00000   0.00046  -0.00044   0.00002   2.30393
   D404      -2.63402   0.00000  -0.00014   0.00006  -0.00008  -2.63410
   D405       1.20704   0.00000   0.00043  -0.00045  -0.00002   1.20702
   D406      -2.98379   0.00000  -0.00026   0.00002  -0.00023  -2.98402
   D407       0.85727   0.00000   0.00031  -0.00049  -0.00018   0.85710
   D408       1.91555   0.00000   0.00020   0.00007   0.00027   1.91581
   D409       2.41293   0.00000   0.00012   0.00001   0.00013   2.41306
   D410       2.64435   0.00000   0.00026   0.00004   0.00030   2.64465
   D411       2.87748   0.00000   0.00040   0.00008   0.00048   2.87796
   D412       2.84348   0.00000  -0.00012  -0.00015  -0.00027   2.84320
   D413      -2.94119   0.00000   0.00008  -0.00009  -0.00001  -2.94121
   D414      -0.74331   0.00000   0.00062   0.00018   0.00080  -0.74251
   D415      -0.36395   0.00000   0.00061   0.00019   0.00080  -0.36316
   D416      -0.05109   0.00000   0.00062   0.00020   0.00082  -0.05027
   D417       0.25695   0.00000   0.00061   0.00020   0.00081   0.25776
   D418      -0.23393   0.00000   0.00055   0.00018   0.00073  -0.23320
   D419       0.07432   0.00000   0.00047   0.00016   0.00063   0.07495
   D420      -2.55263   0.00000   0.00044   0.00009   0.00053  -2.55210
   D421      -2.17099   0.00000   0.00041   0.00009   0.00050  -2.17048
   D422      -1.92111   0.00000   0.00051   0.00011   0.00062  -1.92048
   D423      -1.60536   0.00000   0.00061   0.00013   0.00073  -1.60463
   D424      -1.96233   0.00000   0.00034   0.00007   0.00041  -1.96191
   D425       1.30827   0.00000   0.00021   0.00001   0.00022   1.30849
   D426       2.47329   0.00000   0.00018   0.00006   0.00024   2.47353
   D427       2.94943   0.00000   0.00021   0.00004   0.00025   2.94969
   D428      -3.07211   0.00000   0.00025   0.00005   0.00029  -3.07181
   D429       0.02814   0.00000   0.00032  -0.00007   0.00025   0.02840
   D430       0.04068   0.00000   0.00028   0.00002   0.00030   0.04099
   D431       3.14093   0.00000   0.00036  -0.00010   0.00026   3.14119
   D432      -0.08300   0.00000   0.00027   0.00003   0.00030  -0.08270
   D433       2.01643   0.00000   0.00033   0.00002   0.00035   2.01678
   D434      -2.18020   0.00000   0.00025   0.00003   0.00028  -2.17992
   D435       3.09781   0.00000   0.00020   0.00014   0.00034   3.09815
   D436      -1.08594   0.00000   0.00026   0.00013   0.00039  -1.08555
   D437       1.00062   0.00000   0.00018   0.00014   0.00032   1.00093
   D438      -2.36846   0.00000  -0.00023   0.00010  -0.00013  -2.36860
   D439      -0.27818   0.00000  -0.00020   0.00009  -0.00011  -0.27829
   D440       1.82916   0.00000  -0.00022   0.00010  -0.00012   1.82904
   D441       0.73384   0.00000  -0.00016  -0.00001  -0.00017   0.73367
   D442       2.82413   0.00000  -0.00013  -0.00002  -0.00015   2.82398
   D443      -1.35172   0.00000  -0.00015  -0.00001  -0.00016  -1.35188
   D444      -0.00110   0.00000  -0.00019   0.00001  -0.00018  -0.00128
   D445       3.11411   0.00000  -0.00001  -0.00008  -0.00009   3.11402
   D446      -3.12092   0.00000  -0.00018   0.00002  -0.00017  -3.12108
   D447      -0.00570   0.00000   0.00000  -0.00007  -0.00008  -0.00578
   D448       2.41694   0.00000  -0.00012  -0.00021  -0.00032   2.41661
   D449      -1.78248   0.00000  -0.00012  -0.00023  -0.00035  -1.78283
   D450       0.32487   0.00000  -0.00015  -0.00024  -0.00039   0.32448
   D451      -0.69954   0.00000  -0.00029  -0.00012  -0.00041  -0.69995
   D452       1.38423   0.00000  -0.00029  -0.00015  -0.00043   1.38380
   D453      -2.79161   0.00000  -0.00032  -0.00016  -0.00047  -2.79208
   D454       2.05347   0.00000  -0.00010   0.00011   0.00001   2.05349
   D455      -2.14546   0.00000  -0.00010   0.00008  -0.00002  -2.14548
   D456      -0.05234   0.00000  -0.00013   0.00010  -0.00003  -0.05237
   D457      -1.11319   0.00000   0.00007   0.00003   0.00010  -1.11310
   D458       0.97106   0.00000   0.00006   0.00000   0.00006   0.97112
   D459       3.06418   0.00000   0.00004   0.00002   0.00005   3.06423
   D460      -3.08213  -0.00001   0.00032   0.00001   0.00034  -3.08180
   D461      -0.02552  -0.00001  -0.00003   0.00004   0.00002  -0.02551
   D462       0.07232   0.00000   0.00027   0.00001   0.00028   0.07260
   D463       3.12893   0.00000  -0.00008   0.00004  -0.00004   3.12889
   D464       1.92950   0.00000  -0.00046   0.00001  -0.00045   1.92904
   D465      -2.27105   0.00000  -0.00046   0.00002  -0.00045  -2.27150
   D466      -0.17804   0.00000  -0.00048   0.00000  -0.00047  -0.17851
   D467      -1.13048   0.00000  -0.00013  -0.00002  -0.00014  -1.13062
   D468       0.95215   0.00000  -0.00013  -0.00001  -0.00014   0.95202
   D469       3.04517   0.00000  -0.00014  -0.00002  -0.00016   3.04501
   D470      -1.63198   0.00000   0.00015  -0.00014   0.00001  -1.63197
   D471       0.47258   0.00000   0.00012  -0.00013   0.00000   0.47257
   D472       2.56337   0.00000   0.00018  -0.00014   0.00004   2.56341
   D473       1.42840   0.00000  -0.00018  -0.00012  -0.00030   1.42810
   D474      -2.75023   0.00000  -0.00021  -0.00010  -0.00031  -2.75055
   D475      -0.65944   0.00000  -0.00015  -0.00012  -0.00027  -0.65971
   D476       0.00342   0.00000  -0.00009   0.00000  -0.00009   0.00333
   D477      -3.04523   0.00000  -0.00003   0.00013   0.00010  -3.04513
   D478       3.11664   0.00000  -0.00004  -0.00002  -0.00006   3.11658
   D479       0.06799   0.00000   0.00002   0.00011   0.00013   0.06812
   D480      -0.30871   0.00000  -0.00019   0.00034   0.00015  -0.30856
   D481       1.79923   0.00001  -0.00013   0.00036   0.00023   1.79945
   D482      -2.39995   0.00000  -0.00019   0.00033   0.00014  -2.39981
   D483       2.74464   0.00000  -0.00024   0.00022  -0.00002   2.74462
   D484      -1.43061   0.00001  -0.00018   0.00024   0.00006  -1.43055
   D485       0.65340   0.00000  -0.00024   0.00021  -0.00003   0.65337
   D486      -0.08905  -0.00001   0.00037  -0.00011   0.00026  -0.08879
   D487       2.00618   0.00000   0.00036  -0.00008   0.00028   2.00646
   D488      -2.19283   0.00000   0.00034  -0.00009   0.00025  -2.19259
   D489       3.14072  -0.00001   0.00042   0.00001   0.00044   3.14116
   D490      -1.04722   0.00000   0.00041   0.00004   0.00046  -1.04677
   D491       1.03695   0.00000   0.00040   0.00003   0.00042   1.03737
         Item               Value     Threshold  Converged?
 Maximum Force            0.000010     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.002998     0.001800     NO 
 RMS     Displacement     0.000416     0.001200     YES
 Predicted change in Energy=-4.965122D-08
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:33:47 2016, MaxMem=  2952790016 cpu:        10.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.818241   -0.587011    1.667988
      2          6           0       -2.071061    1.119355   -1.365545
      3          8           0       -2.619946    0.138776   -1.897709
      4          7           0       -0.778416    1.168300   -0.943154
      5          1           0       -2.620595    2.059627   -1.159091
      6          6           0       -0.240527    2.338351   -0.248388
      7          1           0       -0.998666    3.133336   -0.221733
      8          1           0        0.040420    2.064577    0.781478
      9          1           0        0.655567    2.706029   -0.774542
     10          6           0        0.133708    0.034757   -1.113713
     11          1           0        0.701216   -0.114672   -0.181855
     12          1           0       -0.446698   -0.869666   -1.338312
     13          1           0        0.844126    0.231623   -1.933561
     14          6           0       -2.014769   -3.993989    2.631688
     15          8           0       -2.141006   -3.837118    3.858164
     16          7           0       -2.950159   -3.683040    1.693355
     17          1           0       -1.084462   -4.396284    2.183610
     18          6           0       -4.248755   -3.111478    2.058175
     19          1           0       -4.502906   -2.314950    1.340796
     20          1           0       -5.036356   -3.882663    2.023135
     21          1           0       -4.191226   -2.691960    3.070672
     22          6           0       -2.696554   -3.872923    0.264810
     23          1           0       -3.405051   -4.605660   -0.155247
     24          1           0       -2.828504   -2.914820   -0.264512
     25          1           0       -1.668091   -4.230498    0.116358
     26          6           0        1.571490    0.371041    2.605814
     27          8           0        1.412240    1.390409    3.298390
     28          7           0        1.183065   -0.886856    2.950945
     29          1           0        2.049912    0.407125    1.607202
     30          6           0        1.478809   -2.041511    2.101845
     31          1           0        2.227205   -2.691901    2.585125
     32          1           0        0.560976   -2.629449    1.940588
     33          1           0        1.862464   -1.696244    1.132008
     34          6           0        0.542965   -1.155764    4.241176
     35          1           0        1.291284   -1.457851    4.993736
     36          1           0        0.025643   -0.250844    4.584644
     37          1           0       -0.183102   -1.971988    4.116612
     38          6           0       -4.608304    1.086414    2.903493
     39          8           0       -4.855076    1.662507    1.830058
     40          7           0       -3.539861    1.340264    3.707574
     41          1           0       -5.248056    0.269250    3.293328
     42          6           0       -2.544523    2.360989    3.368229
     43          1           0       -2.622688    2.610119    2.301905
     44          1           0       -2.700765    3.270871    3.970964
     45          1           0       -1.539769    1.965451    3.581148
     46          6           0       -3.262294    0.532001    4.895361
     47          1           0       -4.072765   -0.193645    5.048676
     48          1           0       -2.309733   -0.008783    4.762097
     49          1           0       -3.177397    1.180522    5.782116
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489687   0.000000
     3  O    3.726082   1.243385   0.000000
     4  N    3.313671   1.360787   2.315670   0.000000
     5  H    3.954850   1.108478   2.057966   2.057843   0.000000
     6  C    3.836590   2.466748   3.635935   1.463230   2.563550
     7  H    4.252497   2.552343   3.795369   2.104833   2.159199
     8  H    3.357296   3.156184   4.238430   2.109066   3.293453
     9  H    4.788506   3.209567   4.310600   2.109347   3.361391
    10  C    3.454643   2.469974   2.864974   1.464916   3.418822
    11  H    3.161121   3.257217   3.746800   2.101168   4.088643
    12  H    3.316454   2.568170   2.460262   2.102259   3.652220
    13  H    4.552968   3.099843   3.465502   2.119177   3.993207
    14  C    3.546102   6.490556   6.161284   6.399788   7.168214
    15  O    3.932460   7.201295   7.011932   7.068488   7.757220
    16  N    3.296555   5.761308   5.254622   5.933224   6.420536
    17  H    3.913420   6.632657   6.291394   6.390220   7.430487
    18  C    3.525986   5.862094   5.372726   6.274371   6.304128
    19  H    3.209401   5.003259   4.478195   5.587602   5.378611
    20  H    4.619926   6.730253   6.114249   7.241627   7.160537
    21  H    3.468341   6.221032   5.930160   6.531439   6.552508
    22  C    3.679343   5.288869   4.558080   5.527420   6.101510
    23  H    4.689530   6.001679   5.114904   6.392076   6.785951
    24  H    3.189652   4.249772   3.469190   4.619014   5.058520
    25  H    3.962966   5.565909   4.904391   5.573250   6.488429
    26  C    3.645224   5.440574   6.156606   4.330457   5.882127
    27  O    4.123640   5.827447   6.695114   4.779017   6.048202
    28  N    3.277762   5.765960   6.246940   4.820278   6.327874
    29  H    3.994323   5.130975   5.844996   3.883702   5.674220
    30  C    3.629647   5.883488   6.127795   4.966887   6.652680
    31  H    4.651595   6.971983   7.183551   6.031887   7.752248
    32  H    3.147465   5.649040   5.702092   4.953063   6.458934
    33  H    3.881399   5.444077   5.713009   4.414312   6.281203
    34  C    3.538371   6.591252   7.026076   5.833061   7.036315
    35  H    4.635527   7.641191   8.083251   6.813736   8.095229
    36  H    3.466958   6.455877   7.012263   5.763422   6.732855
    37  H    3.253860   6.570756   6.823898   5.984734   7.073071
    38  C    3.480125   4.966223   5.282341   5.428761   4.626307
    39  O    3.782719   4.272895   4.605845   4.955210   3.753081
    40  N    3.292153   5.286086   5.805946   5.411508   5.004693
    41  H    3.890829   5.702725   5.819867   6.223646   5.471110
    42  C    3.479800   4.916750   5.716119   4.809331   4.537977
    43  H    3.357176   3.997106   4.872812   4.001324   3.504502
    44  H    4.578842   5.788253   6.652658   5.680210   5.271717
    45  H    3.201998   5.046575   5.875491   4.656653   4.862810
    46  C    3.708560   6.400232   6.834694   6.376739   6.277086
    47  H    4.082483   6.846387   7.104467   6.972063   6.761835
    48  H    3.185816   6.235194   6.668659   6.023317   6.279763
    49  H    4.679479   7.233033   7.770179   7.140344   7.018775
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098856   0.000000
     8  H    1.102047   1.796769   0.000000
     9  H    1.102275   1.795738   1.791944   0.000000
    10  C    2.489053   3.417468   2.778600   2.742821   0.000000
    11  H    2.628427   3.666162   2.472607   2.882658   1.101252
    12  H    3.394380   4.192307   3.652475   3.783968   1.097860
    13  H    2.907677   3.840075   3.372996   2.738898   1.102543
    14  C    7.179227   7.744238   6.659827   7.976423   5.905487
    15  O    7.655848   8.157066   7.003900   8.490910   6.699649
    16  N    6.882559   7.344308   6.542949   7.740283   5.586759
    17  H    7.209865   7.904948   6.706270   7.888042   5.656006
    18  C    7.147500   7.399916   6.842405   8.119116   6.258246
    19  H    6.507426   6.663709   6.335211   7.502981   5.748385
    20  H    8.176846   8.400394   7.917388   9.145264   7.205245
    21  H    7.206123   7.413936   6.765492   8.210686   6.606748
    22  C    6.698908   7.225456   6.558344   7.456513   5.018035
    23  H    7.631657   8.104762   7.565764   8.386474   5.913962
    24  H    5.856082   6.319045   5.841166   6.632709   4.265660
    25  H    6.732069   7.401924   6.556627   7.369430   4.790820
    26  C    3.911546   4.714977   2.922404   4.209263   4.001898
    27  O    4.026148   4.608854   2.944697   4.346514   4.789477
    28  N    4.760705   5.566667   3.837080   5.202531   4.297903
    29  H    3.524055   4.480073   2.732586   3.591915   3.348712
    30  C    5.259554   6.189987   4.546679   5.611636   4.057093
    31  H    6.278689   7.226208   5.537080   6.549431   5.049634
    32  H    5.487537   6.349630   4.862961   5.987336   4.075451
    33  H    4.754579   5.774385   4.193625   4.946871   3.320877
    34  C    5.742724   6.378915   4.753173   6.331156   5.500879
    35  H    6.651125   7.316009   5.631632   7.142483   6.392871
    36  H    5.489351   5.966837   4.452579   6.153110   5.706533
    37  H    6.134782   6.749127   5.240891   6.819868   5.611033
    38  C    5.529844   5.194845   5.202920   6.622645   6.303221
    39  O    5.105954   4.609239   5.022655   6.183855   6.016920
    40  N    5.247038   5.011210   4.680285   6.289379   6.200343
    41  H    6.473043   6.214174   6.123771   7.572201   6.959913
    42  C    4.288219   3.984222   3.668933   5.246158   5.715950
    43  H    3.500363   3.046301   3.114716   4.496741   5.088875
    44  H    4.972453   4.527114   4.375163   5.839848   6.660376
    45  H    4.061087   4.014804   3.216360   4.933557   5.345075
    46  C    6.233148   6.170544   5.493701   7.226606   6.920192
    47  H    7.011130   6.949540   6.342463   8.042083   7.464692
    48  H    5.907251   6.035758   5.066297   6.842337   6.363760
    49  H    6.806816   6.678814   6.011844   7.746518   7.734898
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795861   0.000000
    13  H    1.791318   1.798162   0.000000
    14  C    5.508329   5.289720   6.846209   0.000000
    15  O    6.185190   6.219310   7.681780   1.242896   0.000000
    16  N    5.438952   4.834604   6.547955   1.360924   2.316219
    17  H    5.207328   5.024710   6.487532   1.108190   2.057446
    18  C    6.204900   5.569334   7.283387   2.469501   2.865157
    19  H    5.851716   5.071420   6.767364   3.267476   3.772627
    20  H    7.209679   6.437581   8.195296   3.084270   3.428186
    21  H    6.415398   6.064767   7.677530   2.573899   2.476880
    22  C    5.086139   4.080614   5.849492   2.466090   3.636222
    23  H    6.085319   4.910107   6.679612   3.173961   4.277375
    24  H    4.506283   3.317937   5.116058   3.196051   4.280157
    25  H    4.758421   3.860448   5.515789   2.550099   3.792032
    26  C    2.960472   4.600931   4.599394   5.649372   5.749748
    27  O    3.857839   5.482937   5.388771   6.417213   6.345545
    28  N    3.262343   4.588480   5.022377   4.470161   4.536137
    29  H    2.300430   4.066855   3.744559   6.077911   6.375282
    30  C    3.087498   4.112843   4.674876   4.037076   4.405896
    31  H    4.077613   5.085633   5.556836   4.437561   4.691846
    32  H    3.293711   3.855311   4.824410   2.995671   3.526509
    33  H    2.361377   3.481083   3.761834   4.749905   5.295568
    34  C    4.546659   5.673797   6.335844   4.145838   3.813143
    35  H    5.379503   6.592525   7.144349   4.789703   4.327938
    36  H    4.816061   5.973898   6.587085   4.689184   4.252470
    37  H    4.765339   5.571427   6.520406   3.106202   2.716411
    38  C    6.257234   6.256047   7.338716   5.710586   5.589286
    39  O    6.170781   5.990348   6.978049   6.380117   6.459510
    40  N    5.935589   6.317627   7.229857   5.651344   5.365142
    41  H    6.900589   6.767737   8.027234   5.391393   5.180257
    42  C    5.409881   6.081902   6.642750   6.419414   6.230521
    43  H    4.964060   5.485893   5.967849   6.640223   6.649874
    44  H    6.346753   7.100230   7.527728   7.419059   7.130887
    45  H    4.848620   5.782195   6.253090   6.053266   5.840208
    46  C    6.473463   6.982187   7.974152   5.212017   4.628419
    47  H    7.082061   7.375567   8.550340   4.951747   4.292308
    48  H    5.789618   6.436382   7.405164   4.528522   3.937221
    49  H    7.231190   7.896865   8.752413   6.168667   5.472879
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056670   0.000000
    18  C    1.464966   3.417486   0.000000
    19  H    2.099283   4.089993   1.101672   0.000000
    20  H    2.121514   3.988361   1.102847   1.791056   0.000000
    21  H    2.102258   3.652887   1.097477   1.797707   1.797040
    22  C    1.463254   2.560183   2.491041   2.616857   2.926854
    23  H    2.115534   3.301397   2.800652   2.948014   2.815889
    24  H    2.106704   3.351077   2.729589   2.395930   3.323350
    25  H    2.104835   2.154445   3.417994   3.633834   3.886129
    26  C    6.141129   5.473547   6.804638   6.761147   7.880174
    27  O    6.880883   6.400162   7.338391   7.249194   8.427097
    28  N    5.146234   4.248125   5.937226   6.079663   6.965407
    29  H    6.460463   5.764485   7.228911   7.100711   8.294003
    30  C    4.741017   3.481666   5.826810   6.036131   6.770776
    31  H    5.346281   3.746102   6.510897   6.854550   7.381942
    32  H    3.674132   2.426568   4.835254   5.108969   5.736504
    33  H    5.236775   4.132851   6.340951   6.398775   7.291656
    34  C    5.008037   4.169301   5.617018   5.934369   6.594278
    35  H    5.816685   4.709073   6.484137   6.902987   7.398866
    36  H    5.384693   4.917516   5.730335   5.940609   6.736117
    37  H    4.056659   3.228956   4.697354   5.146211   5.620267
    38  C    5.192452   6.557108   4.297224   3.744650   5.064582
    39  O    5.676465   7.145031   4.817737   4.022880   5.551491
    40  N    5.444116   6.423350   4.800109   4.459785   5.688216
    41  H    4.843639   6.350921   3.735442   3.323510   4.347021
    42  C    6.284905   7.013975   5.879502   5.459868   6.855779
    43  H    6.330989   7.174247   5.953165   5.358662   6.932513
    44  H    7.321651   8.036935   6.840278   6.431710   7.773164
    45  H    6.120328   6.529325   5.952585   5.667557   6.989562
    46  C    5.302531   6.031959   4.722041   4.720083   5.557539
    47  H    4.969336   5.899214   4.181844   4.293406   4.867367
    48  H    4.829853   5.234505   4.549474   4.672655   5.472050
    49  H    6.357974   6.959194   5.782456   5.805223   6.574306
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391398   0.000000
    23  H    3.832345   1.102415   0.000000
    24  H    3.609727   1.102522   1.789772   0.000000
    25  H    4.178670   1.098924   1.797650   1.795168   0.000000
    26  C    6.542703   6.458153   7.560223   6.196419   6.153571
    27  O    6.936601   7.333994   8.431295   7.015210   7.156001
    28  N    5.670603   5.584207   6.672986   5.526707   5.229141
    29  H    7.120245   6.530680   7.615173   6.191735   6.128108
    30  C    5.788869   4.915529   5.959984   4.991518   4.317035
    31  H    6.436771   5.569747   6.549383   5.807781   4.861627
    32  H    4.885123   3.868586   4.901765   4.053699   3.295437
    33  H    6.434053   5.125876   6.153734   5.043845   4.463048
    34  C    5.112978   5.804216   6.842306   5.895956   5.599721
    35  H    5.939623   6.640646   7.646979   6.837001   6.343050
    36  H    5.102268   6.260254   7.293877   6.225531   6.218678
    37  H    4.204452   4.976683   5.963720   5.203973   4.827845
    38  C    3.804998   5.934009   6.572931   5.404980   6.684499
    39  O    4.576156   6.144120   6.733047   5.426429   6.915284
    40  N    4.133854   6.304055   7.091796   5.864233   6.887215
    41  H    3.152020   5.730593   6.249327   5.352641   6.569401
    42  C    5.322826   6.965342   7.854273   6.411834   7.402061
    43  H    5.582415   6.795959   7.662712   6.095393   7.244440
    44  H    6.211872   8.047943   8.919718   7.497889   8.496760
    45  H    5.383521   6.813433   7.785848   6.345628   7.100072
    46  C    3.819205   6.416029   7.205871   6.220373   6.932658
    47  H    3.188748   6.190027   6.855111   6.097782   6.812224
    48  H    3.687868   5.941952   6.819917   5.829319   6.310108
    49  H    4.834862   7.497278   8.293612   7.311310   7.978593
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242631   0.000000
    28  N    1.360990   2.314989   0.000000
    29  H    1.107889   2.057569   2.057051   0.000000
    30  C    2.466370   3.635137   1.463442   2.562548   0.000000
    31  H    3.132411   4.223525   2.117130   3.254494   1.103025
    32  H    3.235213   4.327532   2.108186   3.398361   1.101858
    33  H    2.555472   3.797807   2.103622   2.164511   1.098629
    34  C    2.462398   2.850873   1.465174   3.413405   2.497416
    35  H    3.020849   3.316838   2.123851   3.939831   2.956156
    36  H    2.586919   2.504159   2.100740   3.660021   3.388579
    37  H    3.294068   3.810553   2.098262   4.116269   2.612674
    38  C    6.228180   6.041135   6.118496   6.817158   6.890536
    39  O    6.600791   6.442771   6.649420   7.021717   7.342460
    40  N    5.317817   4.969230   5.276227   6.043829   6.261135
    41  H    6.854871   6.754004   6.543174   7.491487   7.211793
    42  C    4.634947   4.074663   4.961606   5.294113   6.096961
    43  H    4.764133   4.331434   5.209016   5.212388   6.204834
    44  H    5.340862   4.572232   5.780248   6.029705   7.013119
    45  H    3.629511   3.020759   3.993324   4.382996   5.230286
    46  C    5.351019   5.013826   5.055208   6.248770   6.074928
    47  H    6.176088   5.971433   5.701295   7.049244   6.551213
    48  H    4.456200   4.237129   4.031243   5.397486   5.055885
    49  H    5.770275   5.222807   5.594927   6.734449   6.753232
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787638   0.000000
    33  H    1.798866   1.794030   0.000000
    34  C    2.817603   2.732174   3.420544   0.000000
    35  H    2.863606   3.350777   3.911013   1.103443   0.000000
    36  H    3.847559   3.596578   4.169387   1.097485   1.796127
    37  H    2.945048   2.391858   3.628806   1.099505   1.790949
    38  C    7.816726   6.438654   7.263069   5.775147   6.756296
    39  O    8.348036   6.911347   7.542799   6.549427   7.584408
    40  N    7.125819   5.974756   6.711112   4.815013   5.729190
    41  H    8.071524   6.631532   7.687260   6.038626   6.974040
    42  C    6.993879   6.048698   6.394009   4.760480   5.651480
    43  H    7.191182   6.141607   6.326927   5.288100   6.254080
    44  H    7.858759   7.040962   7.318125   5.494533   6.272426
    45  H    6.072321   5.312031   5.566101   3.809908   4.661466
    46  C    6.772395   5.774326   6.737288   4.213847   4.970338
    47  H    7.211102   6.088095   7.268083   4.783586   5.511284
    48  H    5.702818   4.803100   5.782066   3.118463   3.888545
    49  H    7.377407   6.576370   7.436362   4.655515   5.248968
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795819   0.000000
    38  C    5.107640   5.514335   0.000000
    39  O    5.921999   6.345489   1.242998   0.000000
    40  N    4.001711   4.733514   1.361086   2.314886   0.000000
    41  H    5.454346   5.599528   1.108608   2.058339   2.058301
    42  C    3.860969   4.991100   2.469760   2.862256   1.465515
    43  H    4.517705   5.499132   2.574151   2.470661   2.104672
    44  H    4.495817   5.817853   3.090316   3.436768   2.121486
    45  H    2.893005   4.198892   3.263101   3.761564   2.099336
    46  C    3.394101   4.044482   2.467115   3.634706   1.463275
    47  H    4.124990   4.377297   2.554832   3.796948   2.106043
    48  H    2.354583   2.965364   3.152347   4.227155   2.108355
    49  H    3.707048   4.655967   3.216025   4.320380   2.112019
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419076   0.000000
    43  H    3.654470   1.097827   0.000000
    44  H    3.994698   1.102536   1.796788   0.000000
    45  H    4.087950   1.100598   1.795766   1.789969   0.000000
    46  C    2.564917   2.488479   3.384330   2.944696   2.597890
    47  H    2.162598   3.418418   4.184324   3.879010   3.637500
    48  H    3.296714   2.759314   3.606818   3.396311   2.425920
    49  H    3.363348   2.760595   3.803067   2.806601   2.853454
                   46         47         48         49
    46  C    0.000000
    47  H    1.098603   0.000000
    48  H    1.103440   1.795712   0.000000
    49  H    1.101871   1.796650   1.791012   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2145045      0.1948155      0.1844861
 Leave Link  202 at Mon Nov 14 04:33:47 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.2039876615 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843563890 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0196312725 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4032
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.98D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     215
 GePol: Fraction of low-weight points (<1% of avg)   =       5.33%
 GePol: Cavity surface area                          =    468.243 Ang**2
 GePol: Cavity volume                                =    458.452 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040286567 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.0156026158 Hartrees.
 Leave Link  301 at Mon Nov 14 04:33:47 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:33:48 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:33:48 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000392   -0.000251   -0.000024
         Rot=    1.000000    0.000012    0.000006    0.000008 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:33:49 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48771072.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   2663.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.20D-15 for   3358   2813.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.02D-14 for   2678.
 Iteration    1 A^-1*A deviation from orthogonality  is 9.56D-10 for   2458   2455.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.10D-15 for    221.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.57D-14 for   2304    113.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   2424.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.85D-16 for   2007    644.
 E= -1013.45141579456    
 DIIS: error= 1.74D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141579456     IErMin= 1 ErrMin= 1.74D-05
 ErrMax= 1.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.12D-07 BMatP= 8.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=4.87D-06 MaxDP=1.45D-04              OVMax= 2.26D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.87D-06    CP:  1.00D+00
 E= -1013.45141711107     Delta-E=       -0.000001316513 Rises=F Damp=F
 DIIS: error= 2.97D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141711107     IErMin= 2 ErrMin= 2.97D-06
 ErrMax= 2.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-08 BMatP= 8.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.160D-01 0.984D+00
 Coeff:      0.160D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.04D-07 MaxDP=4.97D-05 DE=-1.32D-06 OVMax= 8.21D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.83D-07    CP:  1.00D+00  9.60D-01
 E= -1013.45141707761     Delta-E=        0.000000033463 Rises=F Damp=F
 DIIS: error= 8.47D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141711107     IErMin= 2 ErrMin= 2.97D-06
 ErrMax= 8.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.25D-08 BMatP= 1.17D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.174D-02 0.694D+00 0.304D+00
 Coeff:      0.174D-02 0.694D+00 0.304D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.68D-07 MaxDP=4.47D-05 DE= 3.35D-08 OVMax= 7.56D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.21D-07    CP:  1.00D+00  9.71D-01  3.40D-01
 E= -1013.45141711918     Delta-E=       -0.000000041570 Rises=F Damp=F
 DIIS: error= 1.80D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141711918     IErMin= 4 ErrMin= 1.80D-06
 ErrMax= 1.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-09 BMatP= 1.17D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.743D-04 0.269D+00 0.202D+00 0.528D+00
 Coeff:     -0.743D-04 0.269D+00 0.202D+00 0.528D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.68D-07 MaxDP=9.63D-06 DE=-4.16D-08 OVMax= 1.55D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.56D-08    CP:  1.00D+00  9.76D-01  3.92D-01  5.63D-01
 E= -1013.45141712143     Delta-E=       -0.000000002250 Rises=F Damp=F
 DIIS: error= 7.35D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141712143     IErMin= 5 ErrMin= 7.35D-07
 ErrMax= 7.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-10 BMatP= 2.88D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.155D-04 0.149D+00 0.121D+00 0.353D+00 0.377D+00
 Coeff:     -0.155D-04 0.149D+00 0.121D+00 0.353D+00 0.377D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.82D-08 MaxDP=3.09D-06 DE=-2.25D-09 OVMax= 2.63D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.59D-08    CP:  1.00D+00  9.76D-01  3.85D-01  5.77D-01  6.45D-01
 E= -1013.45141712166     Delta-E=       -0.000000000233 Rises=F Damp=F
 DIIS: error= 5.83D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141712166     IErMin= 6 ErrMin= 5.83D-08
 ErrMax= 5.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-12 BMatP= 2.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-04 0.383D-01 0.324D-01 0.100D+00 0.145D+00 0.684D+00
 Coeff:     -0.208D-04 0.383D-01 0.324D-01 0.100D+00 0.145D+00 0.684D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.68D-09 MaxDP=3.56D-07 DE=-2.33D-10 OVMax= 2.77D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141712     A.U. after    6 cycles
            NFock=  6  Conv=0.67D-08     -V/T= 2.0213
 KE= 9.923504354698D+02 PE=-6.029573967465D+03 EE= 2.174756512257D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:35:14 2016, MaxMem=  2952790016 cpu:       955.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37501.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 04:35:22 2016, MaxMem=  2952790016 cpu:        96.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:35:22 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:35:59 2016, MaxMem=  2952790016 cpu:       440.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24575626D+00-2.53660732D+00 3.31993980D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000003920   -0.000032127   -0.000087447
      2        6           0.000014355    0.000027356    0.000008210
      3        8           0.000023927    0.000026344   -0.000005328
      4        7           0.000030953    0.000025412    0.000008696
      5        1           0.000014519    0.000018144    0.000022240
      6        6           0.000010836    0.000026540    0.000041846
      7        1           0.000009966    0.000017736    0.000030781
      8        1          -0.000006286    0.000018568    0.000030352
      9        1           0.000011220    0.000018600    0.000036548
     10        6           0.000013772    0.000034416    0.000006116
     11        1           0.000012727    0.000018034    0.000018867
     12        1           0.000017466    0.000024703    0.000007765
     13        1           0.000024046    0.000029404    0.000021087
     14        6           0.000001097   -0.000005333   -0.000015067
     15        8          -0.000007805   -0.000012331   -0.000024636
     16        7           0.000002546   -0.000009446   -0.000016380
     17        1           0.000004439    0.000002715   -0.000027694
     18        6          -0.000003898   -0.000001442   -0.000029073
     19        1           0.000009232   -0.000005214   -0.000038225
     20        1           0.000003984   -0.000006020   -0.000046834
     21        1          -0.000003185   -0.000011725   -0.000034435
     22        6           0.000011094    0.000012741   -0.000021052
     23        1           0.000017424    0.000013885   -0.000044078
     24        1           0.000007466    0.000008923   -0.000016213
     25        1           0.000015271    0.000010326   -0.000029354
     26        6           0.000009672    0.000004209    0.000016651
     27        8          -0.000028828   -0.000004915    0.000030077
     28        7           0.000001823   -0.000011913    0.000023978
     29        1           0.000002184    0.000006601    0.000030679
     30        6           0.000002624   -0.000004505    0.000020666
     31        1           0.000003833    0.000006016    0.000004866
     32        1           0.000006966    0.000008534    0.000002237
     33        1           0.000001036    0.000012079    0.000009737
     34        6          -0.000007528   -0.000014387    0.000012864
     35        1          -0.000018654   -0.000021296    0.000007920
     36        1          -0.000015224   -0.000015730    0.000011498
     37        1          -0.000018221   -0.000010341   -0.000007044
     38        6          -0.000005524    0.000004295   -0.000004613
     39        8          -0.000009345   -0.000007268   -0.000006642
     40        7          -0.000015338   -0.000035388    0.000022640
     41        1          -0.000009010   -0.000020031   -0.000021609
     42        6           0.000045255    0.000045012   -0.000028521
     43        1          -0.000012631   -0.000008887    0.000017051
     44        1          -0.000056723   -0.000054527    0.000061052
     45        1          -0.000005910   -0.000022208    0.000024233
     46        6          -0.000026426   -0.000030127   -0.000033135
     47        1          -0.000024926   -0.000018731   -0.000003313
     48        1          -0.000023262   -0.000024707    0.000005499
     49        1          -0.000027089   -0.000031997    0.000006538
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000087447 RMS     0.000022190
 Leave Link  716 at Mon Nov 14 04:35:59 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000012460 RMS     0.000002098
 Search for a local minimum.
 Step number 101 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .20983D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
                                                    101
 DE= -8.08D-08 DEPred=-4.97D-08 R= 1.63D+00
 Trust test= 1.63D+00 RLast= 9.86D-03 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1
 ITU=  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1
 ITU=  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0
 ITU=  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00005   0.00028   0.00051   0.00096   0.00108
     Eigenvalues ---    0.00120   0.00160   0.00198   0.00211   0.00239
     Eigenvalues ---    0.00266   0.00302   0.00382   0.00434   0.00506
     Eigenvalues ---    0.00587   0.00698   0.00769   0.00801   0.00831
     Eigenvalues ---    0.00897   0.00927   0.01043   0.01115   0.01166
     Eigenvalues ---    0.01202   0.01230   0.01315   0.01344   0.01521
     Eigenvalues ---    0.01563   0.01666   0.01702   0.01746   0.01816
     Eigenvalues ---    0.01822   0.01886   0.01922   0.01950   0.02054
     Eigenvalues ---    0.02199   0.02287   0.02370   0.02458   0.02524
     Eigenvalues ---    0.02577   0.02923   0.03080   0.03147   0.03692
     Eigenvalues ---    0.04321   0.04405   0.04806   0.05028   0.05579
     Eigenvalues ---    0.05843   0.05948   0.06189   0.06269   0.06415
     Eigenvalues ---    0.06522   0.06907   0.07061   0.07472   0.07519
     Eigenvalues ---    0.07613   0.07814   0.08036   0.08150   0.08283
     Eigenvalues ---    0.08495   0.08584   0.08866   0.08907   0.09313
     Eigenvalues ---    0.09441   0.09507   0.09803   0.09929   0.10020
     Eigenvalues ---    0.10087   0.10436   0.10519   0.10681   0.10871
     Eigenvalues ---    0.11173   0.11335   0.11408   0.11706   0.13238
     Eigenvalues ---    0.13518   0.14221   0.14781   0.15144   0.15238
     Eigenvalues ---    0.15511   0.15715   0.20475   0.22275   0.22989
     Eigenvalues ---    0.23464   0.24639   0.24764   0.25820   0.26437
     Eigenvalues ---    0.26862   0.27303   0.28438   0.29236   0.29609
     Eigenvalues ---    0.29827   0.30545   0.32801   0.32823   0.32834
     Eigenvalues ---    0.32931   0.33309   0.33346   0.33362   0.33374
     Eigenvalues ---    0.33396   0.33422   0.33513   0.33527   0.33700
     Eigenvalues ---    0.33798   0.33822   0.33840   0.33925   0.33946
     Eigenvalues ---    0.34044   0.34208   0.34270   0.37249   0.38797
     Eigenvalues ---    0.39996   0.40895   0.85951   0.86123   0.86469
     Eigenvalues ---    0.89167
 Eigenvalue     1 is   5.45D-05 Eigenvector:
                         D399      D381      D397      D383      D385
   1                   -0.23337  -0.22838  -0.21611  -0.21492  -0.21390
                         D387      D395      D405      D403      D407
   1                   -0.21137  -0.20744  -0.20700  -0.20609  -0.20476
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   101  100   99   98   97
 RFO step:  Lambda=-1.23375697D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.63D-07 SmlDif=  1.00D-05
 RMS Error=  0.1193879144D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.84449   -0.31019   -0.82919    0.16984    0.12505
 Iteration  1 RMS(Cart)=  0.00052728 RMS(Int)=  0.00000031
 Iteration  2 RMS(Cart)=  0.00000020 RMS(Int)=  0.00000012
 ITry= 1 IFail=0 DXMaxC= 3.67D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59455   0.00000  -0.00033  -0.00022  -0.00056   6.59400
    R2        6.26193   0.00000  -0.00039   0.00001  -0.00038   6.26155
    R3        7.25010   0.00000  -0.00075  -0.00019  -0.00094   7.24916
    R4        6.34437   0.00000  -0.00068  -0.00025  -0.00093   6.34344
    R5        6.52833   0.00000  -0.00012  -0.00002  -0.00014   6.52819
    R6        5.97365   0.00000   0.00016  -0.00025  -0.00009   5.97356
    R7        6.70116   0.00000  -0.00009  -0.00017  -0.00027   6.70089
    R8        6.22959   0.00000   0.00008  -0.00002   0.00006   6.22965
    R9        6.66315   0.00000   0.00053   0.00004   0.00056   6.66371
   R10        6.06489   0.00000   0.00022  -0.00020   0.00001   6.06490
   R11        6.95295   0.00000   0.00001  -0.00012  -0.00012   6.95283
   R12        6.02757   0.00000   0.00001  -0.00008  -0.00007   6.02750
   R13        6.88848   0.00000   0.00029   0.00011   0.00041   6.88888
   R14        6.19407   0.00000  -0.00035  -0.00002  -0.00036   6.19371
   R15        6.85904   0.00001  -0.00079  -0.00036  -0.00114   6.85790
   R16        5.94785   0.00000  -0.00061  -0.00028  -0.00089   5.94696
   R17        6.68655   0.00000   0.00018   0.00013   0.00031   6.68686
   R18        6.57648   0.00001  -0.00019   0.00001  -0.00018   6.57631
   R19        6.22127   0.00000  -0.00002  -0.00009  -0.00011   6.22116
   R20        6.57587   0.00000   0.00004  -0.00008  -0.00004   6.57583
   R21        6.05090   0.00000  -0.00008  -0.00015  -0.00024   6.05066
   R22        7.00816   0.00000  -0.00011   0.00000  -0.00011   7.00805
   R23        6.02032   0.00000   0.00023   0.00021   0.00043   6.02075
   R24        2.34966   0.00000  -0.00001   0.00000   0.00000   2.34965
   R25        2.57151   0.00000   0.00002   0.00001   0.00003   2.57154
   R26        2.09472   0.00000  -0.00001   0.00000  -0.00001   2.09471
   R27        2.76510   0.00000  -0.00002   0.00002  -0.00001   2.76510
   R28        2.76829   0.00000  -0.00001   0.00000   0.00000   2.76829
   R29        2.07654   0.00000   0.00000   0.00000   0.00000   2.07653
   R30        2.08257  -0.00001   0.00004  -0.00001   0.00003   2.08260
   R31        2.08300   0.00000   0.00001   0.00000   0.00001   2.08301
   R32        2.08106   0.00000   0.00000   0.00001   0.00001   2.08108
   R33        2.07465   0.00000   0.00000   0.00000   0.00000   2.07466
   R34        2.08351   0.00000   0.00000   0.00000   0.00000   2.08351
   R35        2.34873   0.00000   0.00000   0.00000   0.00001   2.34874
   R36        2.57177   0.00000  -0.00002   0.00001  -0.00001   2.57176
   R37        2.09418   0.00000   0.00001   0.00000   0.00001   2.09418
   R38        2.76838   0.00000  -0.00005   0.00000  -0.00005   2.76833
   R39        2.76515   0.00000  -0.00004   0.00000  -0.00004   2.76511
   R40        2.08186   0.00000  -0.00001   0.00000  -0.00001   2.08185
   R41        2.08408   0.00000   0.00001   0.00000   0.00001   2.08409
   R42        2.07393   0.00000   0.00000  -0.00001  -0.00001   2.07392
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08327
   R44        2.08346   0.00000   0.00002   0.00000   0.00002   2.08348
   R45        2.07667   0.00000   0.00000   0.00000   0.00000   2.07667
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   A212       2.29855   0.00000   0.00031   0.00007   0.00038   2.29893
   A213       1.98209   0.00000   0.00032   0.00008   0.00040   1.98248
   A214       1.99849   0.00000   0.00009  -0.00009   0.00000   1.99849
   A215       1.72165   0.00000   0.00013  -0.00007   0.00005   1.72170
   A216       1.93276   0.00000   0.00021   0.00005   0.00025   1.93301
   A217       1.56333   0.00000   0.00022   0.00004   0.00026   1.56358
   A218       1.49084   0.00000   0.00021   0.00002   0.00023   1.49107
   A219       1.19780   0.00000   0.00021   0.00001   0.00021   1.19801
   A220       1.24029   0.00000   0.00018   0.00005   0.00023   1.24052
   A221       0.95921   0.00000   0.00013   0.00003   0.00016   0.95937
   A222       0.72552   0.00000   0.00001   0.00001   0.00001   0.72553
   A223       1.01725   0.00000   0.00000   0.00001   0.00001   1.01726
   A224       0.69786   0.00000   0.00002   0.00000   0.00002   0.69788
   A225       0.98152   0.00000   0.00004   0.00001   0.00005   0.98157
   A226       0.65779   0.00000  -0.00001   0.00001   0.00000   0.65779
   A227       0.66222   0.00000  -0.00002  -0.00001  -0.00003   0.66219
   A228       0.70424   0.00000  -0.00001   0.00000  -0.00001   0.70424
   A229       0.84931   0.00000  -0.00012  -0.00003  -0.00016   0.84915
   A230       0.75739   0.00000  -0.00004   0.00001  -0.00003   0.75736
   A231       0.77909   0.00000  -0.00019  -0.00004  -0.00023   0.77885
   A232       1.58921   0.00000  -0.00008  -0.00001  -0.00010   1.58911
   A233       1.86376  -0.00001   0.00010  -0.00005   0.00005   1.86381
   A234       2.19021   0.00000  -0.00003   0.00000  -0.00003   2.19018
   A235       2.12920   0.00000   0.00002   0.00001   0.00003   2.12923
   A236       1.96341   0.00000   0.00000  -0.00001   0.00000   1.96341
   A237       2.12391   0.00000   0.00004  -0.00001   0.00003   2.12394
   A238       2.12644   0.00000  -0.00001   0.00000  -0.00001   2.12643
   A239       2.03214   0.00000  -0.00003   0.00000  -0.00003   2.03211
   A240       1.82947   0.00000  -0.00028  -0.00006  -0.00035   1.82912
   A241       2.54468   0.00000   0.00029   0.00006   0.00035   2.54503
   A242       1.91389   0.00000   0.00001   0.00000   0.00002   1.91391
   A243       1.91642   0.00000  -0.00003   0.00001  -0.00003   1.91639
   A244       1.91657   0.00000   0.00004   0.00000   0.00004   1.91661
   A245       1.91022   0.00000   0.00006  -0.00002   0.00005   1.91027
   A246       1.90831   0.00000  -0.00002   0.00000  -0.00002   1.90829
   A247       1.89831   0.00000  -0.00007   0.00001  -0.00007   1.89824
   A248       1.28466   0.00000   0.00004   0.00010   0.00015   1.28480
   A249       1.90429   0.00000   0.00006   0.00001   0.00007   1.90436
   A250       1.90933   0.00000   0.00004   0.00000   0.00004   1.90937
   A251       1.92795   0.00000  -0.00004   0.00001  -0.00004   1.92791
   A252       1.91109   0.00000  -0.00003  -0.00001  -0.00004   1.91105
   A253       1.89800   0.00000  -0.00002  -0.00001  -0.00003   1.89797
   A254       1.91306   0.00000  -0.00002   0.00001  -0.00001   1.91305
   A255       1.72393   0.00000  -0.00004  -0.00002  -0.00005   1.72388
   A256       1.76437   0.00000  -0.00002  -0.00005  -0.00007   1.76431
   A257       2.19165   0.00000   0.00000   0.00001   0.00001   2.19166
   A258       2.12948   0.00000  -0.00001  -0.00001  -0.00002   2.12946
   A259       1.96184   0.00000   0.00001  -0.00001   0.00001   1.96185
   A260       2.12552   0.00000   0.00002   0.00002   0.00004   2.12556
   A261       2.12275   0.00000   0.00002   0.00001   0.00004   2.12279
   A262       2.03464   0.00000  -0.00004  -0.00003  -0.00008   2.03456
   A263       1.36155   0.00000   0.00038   0.00017   0.00055   1.36210
   A264       1.90120   0.00000   0.00001   0.00000   0.00002   1.90121
   A265       1.93084   0.00000  -0.00003  -0.00001  -0.00004   1.93080
   A266       1.90966   0.00000   0.00003   0.00000   0.00003   1.90970
   A267       1.89668   0.00000  -0.00002  -0.00001  -0.00003   1.89665
   A268       1.91396   0.00000   0.00003   0.00002   0.00005   1.91401
   A269       1.91139   0.00000  -0.00003   0.00000  -0.00003   1.91136
   A270       2.67326   0.00000   0.00004   0.00008   0.00012   2.67338
   A271       1.68978   0.00000  -0.00006  -0.00008  -0.00015   1.68963
   A272       1.92502   0.00000   0.00004   0.00000   0.00004   1.92506
   A273       1.91261   0.00000  -0.00002  -0.00001  -0.00003   1.91258
   A274       1.91379   0.00000   0.00003   0.00002   0.00005   1.91384
   A275       1.89415   0.00000  -0.00005  -0.00002  -0.00006   1.89409
   A276       1.91105   0.00000   0.00001   0.00000   0.00001   1.91106
   A277       1.90701   0.00000  -0.00001   0.00001   0.00000   1.90701
   A278       1.81298  -0.00001   0.00037   0.00018   0.00055   1.81353
   A279       1.74998   0.00000  -0.00008  -0.00020  -0.00028   1.74970
   A280       2.18987  -0.00001   0.00000   0.00000   0.00000   2.18987
   A281       2.13057   0.00000  -0.00002   0.00000  -0.00001   2.13056
   A282       1.96267   0.00000   0.00002   0.00000   0.00002   1.96269
   A283       2.12284   0.00000  -0.00006   0.00000  -0.00006   2.12278
   A284       2.11487   0.00000  -0.00002   0.00000  -0.00002   2.11485
   A285       2.04251   0.00000   0.00005   0.00000   0.00006   2.04256
   A286       2.70213   0.00000   0.00032   0.00019   0.00051   2.70264
   A287       1.65666   0.00000  -0.00035  -0.00021  -0.00056   1.65610
   A288       1.92637   0.00000   0.00009  -0.00001   0.00009   1.92646
   A289       1.91514   0.00000   0.00003   0.00001   0.00004   1.91518
   A290       1.91219   0.00000  -0.00003  -0.00001  -0.00004   1.91215
   A291       1.89091   0.00000  -0.00003   0.00001  -0.00002   1.89089
   A292       1.91256   0.00000   0.00000   0.00000   0.00000   1.91255
   A293       1.90645   0.00000  -0.00006  -0.00001  -0.00006   1.90639
   A294       1.34950   0.00000   0.00055   0.00009   0.00064   1.35014
   A295       1.15521   0.00000  -0.00025  -0.00006  -0.00031   1.15490
   A296       1.93323   0.00000  -0.00001   0.00001   0.00000   1.93323
   A297       1.90730   0.00000   0.00003   0.00000   0.00003   1.90733
   A298       1.90178   0.00000   0.00002  -0.00001   0.00001   1.90180
   A299       1.90918   0.00000  -0.00003   0.00001  -0.00002   1.90916
   A300       1.89850   0.00000  -0.00004   0.00000  -0.00004   1.89846
   A301       1.91376   0.00000   0.00003  -0.00002   0.00001   1.91378
   A302       1.64631   0.00000   0.00002   0.00001   0.00003   1.64633
   A303       1.80601   0.00000  -0.00005   0.00002  -0.00004   1.80597
   A304       2.18901   0.00000  -0.00001   0.00000  -0.00001   2.18900
   A305       2.13026   0.00000   0.00000  -0.00001  -0.00001   2.13026
   A306       1.96355   0.00000   0.00001   0.00000   0.00002   1.96357
   A307       2.12498   0.00000   0.00002   0.00000   0.00002   2.12500
   A308       2.12401   0.00000   0.00004   0.00001   0.00006   2.12407
   A309       2.03069   0.00000  -0.00007   0.00000  -0.00008   2.03061
   A310       1.30003   0.00000   0.00004   0.00003   0.00007   1.30010
   A311       3.05022   0.00000  -0.00012  -0.00006  -0.00018   3.05005
   A312       1.91198   0.00000   0.00002  -0.00002   0.00000   1.91198
   A313       1.93046   0.00000   0.00001  -0.00002  -0.00001   1.93045
   A314       1.90173   0.00000  -0.00008  -0.00002  -0.00009   1.90163
   A315       1.91094   0.00000   0.00007   0.00004   0.00011   1.91106
   A316       1.91183   0.00000   0.00002   0.00001   0.00004   1.91187
   A317       1.89674   0.00000  -0.00005   0.00000  -0.00005   1.89668
   A318       1.78176   0.00001  -0.00038  -0.00013  -0.00051   1.78125
   A319       1.91579   0.00000   0.00002   0.00001   0.00003   1.91582
   A320       1.91391   0.00000  -0.00005  -0.00001  -0.00006   1.91386
   A321       1.92066   0.00000   0.00000   0.00002   0.00002   1.92068
   A322       1.90710   0.00000   0.00005   0.00002   0.00007   1.90717
   A323       1.91058  -0.00001  -0.00001  -0.00002  -0.00003   1.91055
   A324       1.89561   0.00000  -0.00001  -0.00001  -0.00002   1.89558
   A325       2.93576   0.00000  -0.00003  -0.00008  -0.00011   2.93565
   A326       3.36591   0.00000   0.00003   0.00012   0.00015   3.36606
   A327       3.08394   0.00000  -0.00001   0.00010   0.00009   3.08403
   A328       3.19771   0.00000   0.00003   0.00011   0.00014   3.19785
   A329       3.27294   0.00000   0.00035   0.00017   0.00052   3.27346
   A330       3.25867   0.00000   0.00052   0.00010   0.00062   3.25929
   A331       3.69235   0.00000  -0.00039  -0.00015  -0.00054   3.69180
   A332       3.22466   0.00000   0.00036   0.00019   0.00056   3.22521
   A333       2.97047   0.00000  -0.00060  -0.00022  -0.00081   2.96966
   A334       2.90520   0.00000  -0.00045  -0.00015  -0.00060   2.90460
   A335       3.22926   0.00000  -0.00015   0.00008  -0.00008   3.22919
   A336       3.07609   0.00000   0.00002  -0.00005  -0.00003   3.07605
   A337       3.10481   0.00000  -0.00005  -0.00001  -0.00006   3.10474
   A338       3.04624   0.00000   0.00008   0.00006   0.00014   3.04637
    D1        2.75810   0.00000   0.00002   0.00001   0.00002   2.75812
    D2       -1.36105   0.00000   0.00003   0.00000   0.00003  -1.36101
    D3        2.78045   0.00000  -0.00014  -0.00001  -0.00015   2.78029
    D4       -1.33870   0.00000  -0.00012  -0.00002  -0.00014  -1.33884
    D5        1.66193   0.00000   0.00000   0.00000   0.00001   1.66194
    D6       -2.45721   0.00000   0.00002   0.00000   0.00001  -2.45720
    D7        1.84290   0.00000  -0.00003  -0.00003  -0.00005   1.84285
    D8       -2.27624   0.00000  -0.00001  -0.00003  -0.00005  -2.27629
    D9        0.30690   0.00000  -0.00084  -0.00038  -0.00121   0.30569
   D10        2.47095   0.00000  -0.00082  -0.00038  -0.00120   2.46974
   D11        0.02444   0.00000  -0.00059  -0.00023  -0.00082   0.02362
   D12        2.18848   0.00000  -0.00057  -0.00024  -0.00081   2.18767
   D13       -0.44421   0.00000  -0.00050  -0.00020  -0.00071  -0.44492
   D14        1.71983   0.00000  -0.00049  -0.00021  -0.00070   1.71913
   D15       -0.56375   0.00000  -0.00035  -0.00010  -0.00046  -0.56420
   D16        1.60030   0.00000  -0.00034  -0.00011  -0.00045   1.59985
   D17        0.20784   0.00000  -0.00033  -0.00007  -0.00040   0.20744
   D18        2.37189   0.00000  -0.00031  -0.00008  -0.00039   2.37150
   D19        0.14257   0.00000  -0.00018   0.00000  -0.00018   0.14239
   D20        2.30661   0.00000  -0.00017  -0.00001  -0.00018   2.30644
   D21        2.39615   0.00000  -0.00005  -0.00003  -0.00008   2.39606
   D22       -1.72299   0.00000  -0.00004  -0.00004  -0.00008  -1.72307
   D23        2.15392   0.00000   0.00006   0.00004   0.00010   2.15402
   D24       -1.96522   0.00000   0.00007   0.00003   0.00011  -1.96511
   D25        1.71029   0.00000  -0.00006  -0.00003  -0.00009   1.71020
   D26       -2.40885   0.00000  -0.00004  -0.00004  -0.00008  -2.40893
   D27        1.40313   0.00000  -0.00011  -0.00005  -0.00016   1.40297
   D28       -2.71602   0.00000  -0.00009  -0.00006  -0.00015  -2.71616
   D29        2.36683   0.00000   0.00028   0.00018   0.00046   2.36729
   D30       -1.75231   0.00000   0.00029   0.00018   0.00047  -1.75184
   D31       -1.74875   0.00000   0.00023   0.00014   0.00037  -1.74838
   D32        0.41529   0.00000   0.00025   0.00013   0.00038   0.41567
   D33       -2.09883   0.00000   0.00023   0.00016   0.00039  -2.09845
   D34        0.06521   0.00000   0.00024   0.00015   0.00039   0.06561
   D35       -2.47402   0.00000   0.00023   0.00013   0.00036  -2.47366
   D36       -0.30997   0.00000   0.00024   0.00013   0.00037  -0.30960
   D37       -2.76263   0.00000   0.00027   0.00014   0.00041  -2.76221
   D38       -0.59858   0.00000   0.00028   0.00014   0.00042  -0.59816
   D39       -2.12426   0.00000   0.00021   0.00019   0.00040  -2.12386
   D40        0.03978   0.00000   0.00022   0.00019   0.00041   0.04019
   D41       -2.36658   0.00000   0.00009   0.00018   0.00027  -2.36631
   D42       -0.20253   0.00000   0.00011   0.00017   0.00028  -0.20225
   D43        1.26376   0.00000   0.00022   0.00004   0.00026   1.26402
   D44       -1.92812   0.00000   0.00004  -0.00007  -0.00003  -1.92815
   D45        2.45792   0.00000   0.00017   0.00003   0.00020   2.45812
   D46       -0.73396   0.00000  -0.00001  -0.00007  -0.00008  -0.73404
   D47        2.94354   0.00000   0.00016   0.00001   0.00017   2.94371
   D48       -0.24834   0.00000  -0.00003  -0.00009  -0.00012  -0.24846
   D49        2.86747   0.00001   0.00040   0.00020   0.00059   2.86807
   D50       -0.32441   0.00001   0.00021   0.00009   0.00031  -0.32410
   D51        2.03972   0.00000  -0.00046  -0.00022  -0.00068   2.03904
   D52       -1.15217   0.00000  -0.00065  -0.00032  -0.00097  -1.15313
   D53        1.14400   0.00000  -0.00079  -0.00036  -0.00115   1.14285
   D54       -2.04789   0.00000  -0.00097  -0.00047  -0.00144  -2.04932
   D55        1.01042   0.00000  -0.00027  -0.00009  -0.00036   1.01006
   D56       -2.18146   0.00000  -0.00045  -0.00019  -0.00065  -2.18211
   D57        2.02102   0.00000   0.00003   0.00004   0.00007   2.02109
   D58       -1.17086   0.00000  -0.00016  -0.00006  -0.00022  -1.17108
   D59        1.82668   0.00000   0.00013   0.00008   0.00021   1.82689
   D60       -1.36521   0.00000  -0.00005  -0.00002  -0.00008  -1.36528
   D61       -2.28085   0.00000   0.00016   0.00000   0.00016  -2.28069
   D62        0.81045   0.00000  -0.00003  -0.00010  -0.00012   0.81033
   D63       -2.41314   0.00000   0.00030   0.00010   0.00040  -2.41274
   D64        0.67817   0.00000   0.00012  -0.00001   0.00011   0.67828
   D65       -2.81580   0.00000   0.00028   0.00009   0.00038  -2.81543
   D66        0.27550   0.00000   0.00010  -0.00001   0.00009   0.27559
   D67       -2.99092   0.00000   0.00037   0.00017   0.00054  -2.99038
   D68        0.10039   0.00000   0.00019   0.00006   0.00025   0.10064
   D69       -2.13464   0.00000   0.00041   0.00016   0.00057  -2.13406
   D70        0.95667   0.00000   0.00023   0.00006   0.00029   0.95695
   D71       -0.15605   0.00000   0.00058   0.00021   0.00079  -0.15525
   D72        2.93525   0.00000   0.00040   0.00011   0.00051   2.93576
   D73       -0.55455   0.00000   0.00060   0.00021   0.00080  -0.55375
   D74        2.53675   0.00000   0.00041   0.00010   0.00052   2.53726
   D75       -0.72270   0.00000   0.00062   0.00019   0.00081  -0.72189
   D76        2.36861   0.00000   0.00043   0.00009   0.00052   2.36913
   D77       -1.06083   0.00000   0.00060   0.00019   0.00079  -1.06004
   D78        2.03048   0.00000   0.00042   0.00008   0.00050   2.03098
   D79       -0.83918   0.00000   0.00057   0.00021   0.00078  -0.83839
   D80        2.25213   0.00000   0.00038   0.00011   0.00050   2.25262
   D81       -1.14243   0.00000   0.00054   0.00019   0.00074  -1.14169
   D82        1.94887   0.00000   0.00036   0.00009   0.00045   1.94932
   D83       -1.53289   0.00000  -0.00005   0.00006   0.00000  -1.53289
   D84       -2.60896   0.00000  -0.00012   0.00004  -0.00008  -2.60904
   D85       -2.94764   0.00000  -0.00025   0.00004  -0.00022  -2.94786
   D86        0.73340   0.00000  -0.00023   0.00002  -0.00022   0.73318
   D87        0.30861   0.00000  -0.00032  -0.00003  -0.00034   0.30827
   D88       -0.07107   0.00000  -0.00058  -0.00019  -0.00077  -0.07183
   D89       -0.40755   0.00000  -0.00048  -0.00012  -0.00060  -0.40815
   D90        0.18350   0.00000  -0.00011   0.00010  -0.00001   0.18348
   D91       -0.05415   0.00000  -0.00002   0.00014   0.00011  -0.05404
   D92        2.39857   0.00000  -0.00014   0.00001  -0.00013   2.39843
   D93        2.05208   0.00000  -0.00005   0.00006   0.00001   2.05210
   D94        1.65665   0.00000  -0.00012   0.00002  -0.00010   1.65655
   D95        1.37064   0.00000  -0.00009   0.00005  -0.00004   1.37060
   D96        2.05787   0.00000   0.00008   0.00015   0.00023   2.05809
   D97       -1.89122   0.00000   0.00033   0.00026   0.00060  -1.89063
   D98       -2.43092   0.00000   0.00044   0.00029   0.00073  -2.43019
   D99       -2.64863   0.00000   0.00033   0.00020   0.00054  -2.64810
   D100      -2.97830   0.00000   0.00032   0.00018   0.00050  -2.97780
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   D323       1.49496   0.00000  -0.00056  -0.00034  -0.00090   1.49406
   D324      -0.61514   0.00000  -0.00014  -0.00024  -0.00038  -0.61551
   D325       1.45181   0.00000  -0.00032  -0.00029  -0.00061   1.45120
   D326       0.09138   0.00000   0.00011  -0.00004   0.00006   0.09144
   D327       2.26316   0.00000   0.00010  -0.00004   0.00005   2.26321
   D328       0.39468   0.00000   0.00004  -0.00008  -0.00004   0.39464
   D329       2.56646   0.00000   0.00003  -0.00008  -0.00005   2.56641
   D330       0.76281   0.00000   0.00013  -0.00004   0.00008   0.76289
   D331       2.93459   0.00000   0.00012  -0.00004   0.00008   2.93466
   D332       1.04280   0.00000   0.00015  -0.00004   0.00011   1.04291
   D333      -3.06861   0.00000   0.00015  -0.00004   0.00010  -3.06851
   D334       0.32673   0.00000  -0.00014  -0.00017  -0.00031   0.32642
   D335       2.49851   0.00000  -0.00014  -0.00017  -0.00032   2.49819
   D336       0.71768   0.00000  -0.00033  -0.00026  -0.00059   0.71709
   D337       2.88946   0.00000  -0.00034  -0.00026  -0.00060   2.88886
   D338      -2.32231   0.00000   0.00013  -0.00008   0.00005  -2.32226
   D339      -0.15053   0.00000   0.00012  -0.00008   0.00004  -0.15049
   D340      -1.94686   0.00000   0.00007  -0.00008  -0.00001  -1.94688
   D341       0.22491   0.00000   0.00006  -0.00008  -0.00002   0.22489
   D342      -1.89661   0.00000   0.00012   0.00001   0.00013  -1.89648
   D343       0.27517   0.00000   0.00011   0.00001   0.00012   0.27529
   D344      -1.59650   0.00000   0.00014   0.00005   0.00019  -1.59631
   D345       0.57528   0.00000   0.00013   0.00005   0.00018   0.57546
   D346      -1.58053   0.00000  -0.00004  -0.00015  -0.00019  -1.58072
   D347       0.59125   0.00000  -0.00005  -0.00015  -0.00020   0.59105
   D348      -1.28024   0.00000  -0.00007  -0.00015  -0.00022  -1.28046
   D349       0.89154   0.00000  -0.00008  -0.00015  -0.00023   0.89131
   D350       1.86447   0.00000   0.00005  -0.00003   0.00002   1.86449
   D351      -2.24693   0.00000   0.00004  -0.00003   0.00001  -2.24693
   D352       2.30528   0.00000   0.00014   0.00004   0.00019   2.30547
   D353      -1.80613   0.00000   0.00014   0.00004   0.00018  -1.80595
   D354       2.57926   0.00000   0.00047   0.00031   0.00077   2.58003
   D355      -1.53215   0.00000   0.00046   0.00031   0.00077  -1.53138
   D356      -3.07016   0.00000   0.00077   0.00034   0.00110  -3.06906
   D357      -0.89838   0.00000   0.00076   0.00034   0.00110  -0.89729
   D358       2.61946   0.00000   0.00008  -0.00004   0.00004   2.61950
   D359      -1.49194   0.00000   0.00007  -0.00004   0.00003  -1.49191
   D360       1.63782   0.00000  -0.00001  -0.00001  -0.00002   1.63781
   D361      -2.47359   0.00000  -0.00002  -0.00001  -0.00002  -2.47361
   D362       1.81301   0.00000   0.00001  -0.00001   0.00000   1.81301
   D363      -2.29840   0.00000   0.00000  -0.00001  -0.00001  -2.29841
   D364       2.74976   0.00000  -0.00005  -0.00001  -0.00005   2.74970
   D365      -1.36165   0.00000  -0.00005  -0.00001  -0.00006  -1.36171
   D366       2.74899   0.00000  -0.00024  -0.00007  -0.00031   2.74868
   D367      -1.36242   0.00000  -0.00025  -0.00007  -0.00032  -1.36274
   D368       0.06205   0.00000  -0.00015  -0.00007  -0.00022   0.06184
   D369      -2.38002   0.00000  -0.00047  -0.00052  -0.00100  -2.38101
   D370       0.46146   0.00000  -0.00012  -0.00006  -0.00018   0.46128
   D371      -1.98061   0.00000  -0.00045  -0.00051  -0.00096  -1.98157
   D372       0.67541   0.00000   0.00004   0.00000   0.00004   0.67545
   D373      -1.76666   0.00000  -0.00029  -0.00046  -0.00075  -1.76740
   D374       0.94666   0.00000   0.00020   0.00002   0.00022   0.94689
   D375      -1.49540   0.00000  -0.00013  -0.00043  -0.00056  -1.49597
   D376       0.70200   0.00000  -0.00026  -0.00011  -0.00037   0.70162
   D377      -1.74007   0.00000  -0.00059  -0.00056  -0.00116  -1.74123
   D378       1.04348   0.00000  -0.00024  -0.00009  -0.00033   1.04315
   D379      -1.39858   0.00000  -0.00057  -0.00055  -0.00111  -1.39970
   D380      -2.73435   0.00000   0.00063   0.00025   0.00088  -2.73347
   D381       1.10677   0.00000   0.00030  -0.00021   0.00009   1.10686
   D382      -2.19151   0.00000   0.00043   0.00010   0.00054  -2.19097
   D383       1.64961   0.00000   0.00011  -0.00035  -0.00025   1.64937
   D384      -1.95565   0.00000   0.00028   0.00013   0.00041  -1.95524
   D385       1.88547   0.00000  -0.00005  -0.00032  -0.00037   1.88509
   D386      -1.62827   0.00000   0.00016   0.00010   0.00027  -1.62800
   D387       2.21285   0.00000  -0.00017  -0.00035  -0.00052   2.21233
   D388      -1.69599   0.00000   0.00006  -0.00021  -0.00015  -1.69614
   D389       2.14513  -0.00001  -0.00027  -0.00067  -0.00094   2.14419
   D390      -1.12830   0.00000  -0.00036  -0.00029  -0.00065  -1.12895
   D391       2.71282  -0.00001  -0.00069  -0.00074  -0.00143   2.71139
   D392       1.79880   0.00000  -0.00002  -0.00002  -0.00004   1.79877
   D393      -0.64326   0.00000  -0.00035  -0.00047  -0.00082  -0.64408
   D394       2.10221   0.00000  -0.00002   0.00002   0.00000   2.10221
   D395      -0.33986   0.00000  -0.00035  -0.00043  -0.00078  -0.34064
   D396       2.05746   0.00000   0.00000   0.00011   0.00012   2.05758
   D397      -0.38460   0.00000  -0.00033  -0.00034  -0.00067  -0.38527
   D398       2.27013   0.00000   0.00021   0.00029   0.00051   2.27064
   D399      -0.17193   0.00000  -0.00012  -0.00016  -0.00028  -0.17221
   D400       2.49912   0.00000  -0.00006  -0.00002  -0.00008   2.49904
   D401       0.05705   0.00000  -0.00039  -0.00048  -0.00087   0.05618
   D402      -1.53719   0.00000  -0.00002   0.00003   0.00001  -1.53717
   D403       2.30393   0.00000  -0.00035  -0.00042  -0.00077   2.30316
   D404      -2.63410   0.00000  -0.00005   0.00004  -0.00001  -2.63411
   D405       1.20702   0.00000  -0.00038  -0.00042  -0.00080   1.20622
   D406      -2.98402   0.00000  -0.00021  -0.00002  -0.00022  -2.98425
   D407       0.85710   0.00000  -0.00054  -0.00047  -0.00101   0.85609
   D408       1.91581   0.00000   0.00027  -0.00002   0.00025   1.91607
   D409       2.41306   0.00000   0.00016  -0.00004   0.00012   2.41318
   D410       2.64465   0.00000   0.00031   0.00004   0.00035   2.64501
   D411       2.87796   0.00000   0.00048   0.00009   0.00056   2.87852
   D412       2.84320   0.00000  -0.00021  -0.00016  -0.00037   2.84283
   D413      -2.94121   0.00000   0.00003   0.00001   0.00003  -2.94117
   D414      -0.74251   0.00000   0.00072   0.00022   0.00094  -0.74157
   D415      -0.36316   0.00000   0.00071   0.00021   0.00092  -0.36224
   D416      -0.05027   0.00000   0.00072   0.00027   0.00099  -0.04928
   D417       0.25776   0.00000   0.00070   0.00026   0.00096   0.25872
   D418      -0.23320   0.00000   0.00066   0.00013   0.00079  -0.23240
   D419       0.07495   0.00000   0.00057   0.00007   0.00064   0.07559
   D420      -2.55210   0.00000   0.00047   0.00015   0.00062  -2.55148
   D421      -2.17048   0.00000   0.00045   0.00014   0.00059  -2.16989
   D422      -1.92048   0.00000   0.00053   0.00024   0.00077  -1.91971
   D423      -1.60463   0.00000   0.00063   0.00029   0.00092  -1.60372
   D424      -1.96191   0.00000   0.00038   0.00004   0.00042  -1.96149
   D425       1.30849   0.00000   0.00024   0.00007   0.00031   1.30880
   D426       2.47353   0.00000   0.00024   0.00008   0.00032   2.47385
   D427       2.94969   0.00000   0.00025   0.00008   0.00034   2.95002
   D428      -3.07181   0.00000   0.00030   0.00011   0.00041  -3.07140
   D429       0.02840   0.00000   0.00024  -0.00012   0.00012   0.02851
   D430       0.04099  -0.00001   0.00028   0.00014   0.00042   0.04141
   D431       3.14119  -0.00001   0.00022  -0.00009   0.00012   3.14132
   D432      -0.08270   0.00000   0.00023  -0.00011   0.00013  -0.08257
   D433       2.01678   0.00000   0.00030  -0.00012   0.00018   2.01696
   D434      -2.17992   0.00000   0.00022  -0.00011   0.00011  -2.17981
   D435       3.09815   0.00000   0.00029   0.00011   0.00041   3.09856
   D436      -1.08555   0.00000   0.00036   0.00010   0.00046  -1.08509
   D437       1.00093   0.00000   0.00028   0.00011   0.00039   1.00132
   D438      -2.36860   0.00000  -0.00013   0.00026   0.00013  -2.36847
   D439      -0.27829   0.00000  -0.00010   0.00025   0.00015  -0.27814
   D440       1.82904   0.00000  -0.00012   0.00026   0.00014   1.82918
   D441       0.73367   0.00000  -0.00019   0.00004  -0.00015   0.73352
   D442       2.82398   0.00000  -0.00016   0.00003  -0.00013   2.82385
   D443      -1.35188   0.00000  -0.00018   0.00004  -0.00014  -1.35201
   D444      -0.00128   0.00000  -0.00017   0.00003  -0.00014  -0.00141
   D445       3.11402   0.00000  -0.00006  -0.00008  -0.00014   3.11388
   D446      -3.12108   0.00000  -0.00017   0.00005  -0.00012  -3.12120
   D447      -0.00578   0.00000  -0.00006  -0.00006  -0.00012  -0.00591
   D448       2.41661   0.00000  -0.00026  -0.00023  -0.00050   2.41611
   D449      -1.78283   0.00000  -0.00030  -0.00025  -0.00055  -1.78338
   D450       0.32448   0.00000  -0.00033  -0.00026  -0.00059   0.32389
   D451      -0.69995   0.00000  -0.00037  -0.00013  -0.00049  -0.70044
   D452       1.38380   0.00000  -0.00040  -0.00015  -0.00055   1.38325
   D453      -2.79208   0.00000  -0.00044  -0.00016  -0.00059  -2.79267
   D454       2.05349   0.00000   0.00006   0.00002   0.00009   2.05357
   D455      -2.14548   0.00000   0.00001   0.00000   0.00001  -2.14547
   D456      -0.05237   0.00000   0.00001   0.00001   0.00002  -0.05234
   D457      -1.11310   0.00000   0.00016  -0.00008   0.00008  -1.11301
   D458       0.97112   0.00000   0.00012  -0.00011   0.00001   0.97113
   D459       3.06423   0.00000   0.00011  -0.00009   0.00002   3.06426
   D460      -3.08180  -0.00001   0.00025   0.00007   0.00033  -3.08147
   D461      -0.02551  -0.00001  -0.00007   0.00010   0.00004  -0.02547
   D462       0.07260   0.00000   0.00014   0.00013   0.00027   0.07286
   D463       3.12889   0.00000  -0.00018   0.00016  -0.00002   3.12886
   D464       1.92904   0.00000  -0.00050  -0.00018  -0.00068   1.92836
   D465      -2.27150   0.00000  -0.00046  -0.00017  -0.00063  -2.27213
   D466      -0.17851   0.00000  -0.00053  -0.00018  -0.00071  -0.17922
   D467      -1.13062   0.00000  -0.00019  -0.00021  -0.00040  -1.13102
   D468       0.95202   0.00000  -0.00015  -0.00020  -0.00035   0.95167
   D469       3.04501   0.00000  -0.00022  -0.00021  -0.00043   3.04458
   D470      -1.63197   0.00000  -0.00010  -0.00001  -0.00010  -1.63207
   D471       0.47257   0.00000  -0.00012   0.00001  -0.00011   0.47246
   D472       2.56341  -0.00001  -0.00005  -0.00001  -0.00006   2.56335
   D473       1.42810   0.00000  -0.00041   0.00002  -0.00039   1.42771
   D474      -2.75055   0.00000  -0.00043   0.00004  -0.00039  -2.75094
   D475      -0.65971   0.00000  -0.00037   0.00002  -0.00035  -0.66005
   D476       0.00333   0.00000  -0.00009   0.00004  -0.00005   0.00328
   D477      -3.04513   0.00000   0.00001  -0.00005  -0.00004  -3.04517
   D478       3.11658   0.00000  -0.00006   0.00003  -0.00003   3.11655
   D479       0.06812   0.00000   0.00004  -0.00006  -0.00002   0.06809
   D480      -0.30856   0.00000   0.00009  -0.00001   0.00009  -0.30848
   D481       1.79945   0.00000   0.00020   0.00002   0.00022   1.79968
   D482      -2.39981   0.00000   0.00010   0.00000   0.00010  -2.39972
   D483       2.74462   0.00000   0.00001   0.00008   0.00008   2.74470
   D484      -1.43055   0.00000   0.00011   0.00011   0.00022  -1.43033
   D485       0.65337   0.00000   0.00001   0.00008   0.00009   0.65346
   D486      -0.08879  -0.00001   0.00036   0.00023   0.00059  -0.08820
   D487       2.00646   0.00000   0.00041   0.00025   0.00066   2.00712
   D488      -2.19259   0.00000   0.00036   0.00024   0.00060  -2.19198
   D489       3.14116  -0.00001   0.00045   0.00015   0.00059  -3.14143
   D490      -1.04677   0.00000   0.00049   0.00017   0.00066  -1.04610
   D491       1.03737   0.00000   0.00045   0.00016   0.00061   1.03798
         Item               Value     Threshold  Converged?
 Maximum Force            0.000012     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.003669     0.001800     NO 
 RMS     Displacement     0.000527     0.001200     YES
 Predicted change in Energy=-6.262012D-08
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:36:00 2016, MaxMem=  2952790016 cpu:         8.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.817399   -0.587191    1.667787
      2          6           0       -2.071170    1.119764   -1.364996
      3          8           0       -2.620001    0.139170   -1.897184
      4          7           0       -0.778407    1.168854   -0.942935
      5          1           0       -2.620803    2.059906   -1.158234
      6          6           0       -0.240634    2.338645   -0.247651
      7          1           0       -0.999011    3.133372   -0.220192
      8          1           0        0.040854    2.064275    0.781927
      9          1           0        0.655152    2.706972   -0.773888
     10          6           0        0.133888    0.035540   -1.114073
     11          1           0        0.701625   -0.114193   -0.182395
     12          1           0       -0.446353   -0.868927   -1.338929
     13          1           0        0.844123    0.232880   -1.933969
     14          6           0       -2.015839   -3.993515    2.632882
     15          8           0       -2.142447   -3.835980    3.859240
     16          7           0       -2.950779   -3.682712    1.694060
     17          1           0       -1.085505   -4.396356    2.185347
     18          6           0       -4.249357   -3.110667    2.058075
     19          1           0       -4.502773   -2.314035    1.340558
     20          1           0       -5.037212   -3.881574    2.022477
     21          1           0       -4.192358   -2.691261    3.070641
     22          6           0       -2.696718   -3.873231    0.265702
     23          1           0       -3.405298   -4.605881   -0.154371
     24          1           0       -2.828226   -2.915278   -0.264021
     25          1           0       -1.668310   -4.231158    0.117711
     26          6           0        1.572652    0.370752    2.605403
     27          8           0        1.414182    1.390168    3.298069
     28          7           0        1.183744   -0.886974    2.950652
     29          1           0        2.050749    0.406640    1.606628
     30          6           0        1.478972   -2.041754    2.101536
     31          1           0        2.227679   -2.692121    2.584368
     32          1           0        0.561052   -2.629732    1.940876
     33          1           0        1.861983   -1.696584    1.131405
     34          6           0        0.543991   -1.155573    4.241112
     35          1           0        1.292429   -1.458135    4.993370
     36          1           0        0.027321   -0.250386    4.584855
     37          1           0       -0.182574   -1.971397    4.116812
     38          6           0       -4.608288    1.085211    2.902550
     39          8           0       -4.855039    1.661209    1.829047
     40          7           0       -3.540155    1.339503    3.706867
     41          1           0       -5.247814    0.267799    3.292231
     42          6           0       -2.545108    2.360598    3.367743
     43          1           0       -2.623152    2.609726    2.301415
     44          1           0       -2.701714    3.270349    3.970570
     45          1           0       -1.540297    1.965321    3.580871
     46          6           0       -3.262497    0.531443    4.894759
     47          1           0       -4.072378   -0.194949    5.047636
     48          1           0       -2.309346   -0.008390    4.761952
     49          1           0       -3.178667    1.179990    5.781605
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489394   0.000000
     3  O    3.725693   1.243383   0.000000
     4  N    3.313468   1.360802   2.315665   0.000000
     5  H    3.954614   1.108473   2.057978   2.057850   0.000000
     6  C    3.836093   2.466778   3.635936   1.463226   2.563603
     7  H    4.251683   2.552395   3.795412   2.104840   2.159273
     8  H    3.356803   3.156268   4.238373   2.109056   3.293730
     9  H    4.788194   3.209591   4.310688   2.109378   3.361294
    10  C    3.454571   2.469977   2.864944   1.464914   3.418819
    11  H    3.161073   3.257236   3.746717   2.101221   4.088703
    12  H    3.316547   2.568190   2.460214   2.102290   3.652251
    13  H    4.552896   3.099875   3.465586   2.119151   3.993181
    14  C    3.545960   6.490895   6.161623   6.400607   7.168155
    15  O    3.932271   7.201188   7.011868   7.068936   7.756632
    16  N    3.296588   5.761537   5.254829   5.933855   6.420446
    17  H    3.913218   6.633555   6.292276   6.391559   7.431015
    18  C    3.526283   5.861608   5.372180   6.274381   6.303305
    19  H    3.209408   5.002368   4.477278   5.587107   5.377465
    20  H    4.620169   6.729469   6.113349   7.241402   7.159409
    21  H    3.469228   6.220790   5.929835   6.531795   6.551852
    22  C    3.679280   5.289658   4.558873   5.528412   6.102087
    23  H    4.689516   6.002376   5.115623   6.392961   6.786449
    24  H    3.189615   4.250510   3.469904   4.619829   5.059159
    25  H    3.962759   5.567142   4.905638   5.574677   6.489434
    26  C    3.645439   5.440821   6.156724   4.330722   5.882454
    27  O    4.124425   5.827948   6.695542   4.779387   6.048825
    28  N    3.277571   5.765959   6.246836   4.820424   6.327845
    29  H    3.994248   5.131210   5.845010   3.883989   5.674606
    30  C    3.629043   5.883498   6.127623   4.967149   6.652658
    31  H    4.651184   6.971947   7.183350   6.032044   7.752200
    32  H    3.146996   5.649434   5.702335   4.953764   6.459210
    33  H    3.880247   5.443669   5.712313   4.414214   6.280846
    34  C    3.538534   6.591257   7.026085   5.833184   7.036203
    35  H    4.635631   7.641216   8.083206   6.813894   8.095198
    36  H    3.467811   6.456136   7.012624   5.763671   6.732984
    37  H    3.253675   6.570562   6.823759   5.984750   7.072657
    38  C    3.480032   4.964887   5.280693   5.427958   4.624942
    39  O    3.782665   4.271417   4.603998   4.954314   3.751616
    40  N    3.292094   5.284884   5.804556   5.410826   5.003339
    41  H    3.890703   5.701462   5.818245   6.222872   5.469870
    42  C    3.479779   4.915598   5.714876   4.808683   4.536586
    43  H    3.357230   3.995903   4.871539   4.000625   3.503068
    44  H    4.578802   5.787129   6.651428   5.679605   5.270327
    45  H    3.201873   5.045631   5.874494   4.656142   4.861641
    46  C    3.708503   6.399211   6.833532   6.376179   6.275882
    47  H    4.081931   6.845082   7.102926   6.971165   6.760493
    48  H    3.186044   6.234497   6.668011   6.022907   6.278810
    49  H    4.679687   7.232156   7.769119   7.140084   7.017608
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098854   0.000000
     8  H    1.102064   1.796811   0.000000
     9  H    1.102281   1.795732   1.791921   0.000000
    10  C    2.489025   3.417462   2.778352   2.742990   0.000000
    11  H    2.628408   3.666098   2.472298   2.882880   1.101258
    12  H    3.394366   4.192302   3.652269   3.784130   1.097861
    13  H    2.907681   3.840186   3.372735   2.739093   1.102545
    14  C    7.179490   7.743804   6.659793   7.977268   5.907139
    15  O    7.655680   8.156046   7.003547   8.491328   6.701060
    16  N    6.882722   7.343893   6.542913   7.740902   5.588039
    17  H    7.210653   7.905119   6.706565   7.889501   5.658162
    18  C    7.147113   7.398870   6.842111   8.119061   6.258911
    19  H    6.506587   6.662322   6.334525   7.502372   5.748421
    20  H    8.176293   8.399172   7.916997   9.145032   7.205692
    21  H    7.206049   7.413056   6.765606   8.210949   6.607850
    22  C    6.699498   7.225703   6.558564   7.457536   5.019422
    23  H    7.632184   8.104973   7.565950   8.387424   5.915205
    24  H    5.856586   6.319345   5.841367   6.633520   4.266618
    25  H    6.733057   7.402597   6.557049   7.370961   4.792694
    26  C    3.911589   4.714818   2.922241   4.209434   4.002114
    27  O    4.026184   4.608733   2.944728   4.346370   4.789694
    28  N    4.760527   5.566135   3.836592   5.202697   4.298281
    29  H    3.524405   4.480333   2.732685   3.592503   3.348775
    30  C    5.259621   6.189729   4.546320   5.612231   4.057652
    31  H    6.278655   7.225888   5.536633   6.549880   5.050006
    32  H    5.487907   6.349597   4.862867   5.988256   4.076624
    33  H    4.754563   5.774130   4.193174   4.947513   3.320955
    34  C    5.742316   6.378020   4.752529   6.331022   5.501358
    35  H    6.650874   7.315317   5.631169   7.142514   6.393289
    36  H    5.488897   5.965874   4.451977   6.152744   5.707091
    37  H    6.134197   6.747951   5.240041   6.819668   5.611604
    38  C    5.529128   5.193588   5.202896   6.621941   6.302642
    39  O    5.105324   4.608210   5.022817   6.183130   6.016157
    40  N    5.246269   5.009708   4.680192   6.288700   6.200031
    41  H    6.472327   6.212967   6.123640   7.571519   6.959323
    42  C    4.287442   3.982571   3.668985   5.245450   5.715732
    43  H    3.499660   3.044757   3.115011   4.496024   5.088542
    44  H    4.971758   4.525533   4.375355   5.839163   6.660197
    45  H    4.060305   4.013155   3.216196   4.932947   5.345040
    46  C    6.232336   6.168965   5.493367   7.225957   6.920073
    47  H    7.010095   6.947900   6.341849   8.041196   7.464078
    48  H    5.906290   6.034021   5.065568   6.841562   6.363882
    49  H    6.806353   6.677437   6.011992   7.746246   7.735190
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795841   0.000000
    13  H    1.791306   1.798160   0.000000
    14  C    5.509949   5.291656   6.848207   0.000000
    15  O    6.186700   6.221020   7.683521   1.242899   0.000000
    16  N    5.440171   4.836172   6.549484   1.360919   2.316225
    17  H    5.209314   5.027106   6.490151   1.108193   2.057441
    18  C    6.205705   5.570266   7.284178   2.469499   2.865195
    19  H    5.851876   5.071738   6.767466   3.267353   3.772428
    20  H    7.210331   6.438251   8.195871   3.084448   3.428621
    21  H    6.416743   6.066116   7.678728   2.573856   2.476774
    22  C    5.087228   4.082257   5.851175   2.466092   3.636223
    23  H    6.086284   4.911554   6.681179   3.174015   4.277454
    24  H    4.506949   3.319081   5.117203   3.196031   4.280101
    25  H    4.759837   3.862586   5.518092   2.550165   3.792098
    26  C    2.960689   4.601189   4.599529   5.650208   5.750710
    27  O    3.858040   5.483324   5.388739   6.418065   6.346428
    28  N    3.262762   4.588905   5.022842   4.470895   4.537148
    29  H    2.300437   4.066804   3.744592   6.078791   6.376283
    30  C    3.088057   4.113295   4.675713   4.037995   4.407204
    31  H    4.077932   5.085936   5.557448   4.438854   4.693795
    32  H    3.294841   3.856478   4.825879   2.996522   3.527614
    33  H    2.361453   3.480802   3.762365   4.750562   5.296561
    34  C    4.547167   5.674487   6.336364   4.146450   3.814099
    35  H    5.379942   6.593067   7.144826   4.790062   4.328831
    36  H    4.816628   5.974795   6.587547   4.689959   4.253339
    37  H    4.765941   5.572264   6.521112   3.106746   2.717373
    38  C    6.257046   6.255437   7.338063   5.708500   5.586927
    39  O    6.170451   5.989505   6.977167   6.378331   6.457470
    40  N    5.935680   6.317344   7.229491   5.649608   5.363062
    41  H    6.900346   6.767113   8.026586   5.388803   5.177432
    42  C    5.410115   6.081723   6.642456   6.418325   6.229068
    43  H    4.964191   5.485579   5.967401   6.639389   6.648685
    44  H    6.347043   7.100072   7.527467   7.417786   7.129171
    45  H    4.848996   5.782223   6.253021   6.052483   5.839107
    46  C    6.473685   6.982160   7.974020   5.210133   4.626143
    47  H    7.081727   7.374993   8.549727   4.948686   4.288826
    48  H    5.789966   6.436770   7.405264   4.527726   3.936139
    49  H    7.231934   7.897189   8.752710   6.166990   5.470758
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056672   0.000000
    18  C    1.464939   3.417478   0.000000
    19  H    2.099268   4.089921   1.101668   0.000000
    20  H    2.121463   3.988423   1.102851   1.791038   0.000000
    21  H    2.102254   3.652894   1.097471   1.797733   1.797017
    22  C    1.463233   2.560217   2.490941   2.616914   2.926472
    23  H    2.115544   3.301458   2.800539   2.948190   2.815392
    24  H    2.106669   3.351130   2.729454   2.395887   3.322863
    25  H    2.104851   2.154547   3.417940   3.633854   3.885852
    26  C    6.141868   5.474263   6.805559   6.761561   7.881141
    27  O    6.881849   6.400816   7.339671   7.250057   8.428457
    28  N    5.146791   4.248639   5.938020   6.079916   6.966307
    29  H    6.461094   5.765394   7.229564   7.100811   8.294631
    30  C    4.741463   3.482487   5.827367   6.036099   6.771399
    31  H    5.346995   3.747108   6.511848   6.854852   7.383032
    32  H    3.674595   2.427318   4.835811   5.109048   5.737101
    33  H    5.236790   4.133673   6.340885   6.398055   7.291577
    34  C    5.008725   4.169423   5.618205   5.935071   6.595699
    35  H    5.817131   4.708790   6.485230   6.903620   7.400245
    36  H    5.385781   4.917833   5.731998   5.941873   6.738012
    37  H    4.057252   3.228973   4.698410   5.146757   5.621613
    38  C    5.190460   6.555300   4.295040   3.742436   5.062357
    39  O    5.674673   7.143558   4.815610   4.020606   5.549147
    40  N    5.442555   6.421870   4.798489   4.458070   5.686651
    41  H    4.841183   6.348571   3.732840   3.321141   4.344413
    42  C    6.283898   7.013196   5.878302   5.458399   6.854562
    43  H    6.330165   7.173772   5.952029   5.357204   6.931267
    44  H    7.320491   8.036013   6.838874   6.430095   7.771719
    45  H    6.119624   6.528802   5.951771   5.666406   6.988791
    46  C    5.301014   6.030208   4.720766   4.718831   5.556468
    47  H    4.966785   5.896264   4.179738   4.291642   4.865562
    48  H    4.829497   5.233633   4.549584   4.672585   5.472433
    49  H    6.356558   6.957731   5.781071   5.803823   6.573025
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391412   0.000000
    23  H    3.832224   1.102417   0.000000
    24  H    3.609850   1.102531   1.789741   0.000000
    25  H    4.178744   1.098925   1.797658   1.795178   0.000000
    26  C    6.544289   6.458569   7.560636   6.196718   6.153862
    27  O    6.938522   7.334720   8.432042   7.015937   7.156517
    28  N    5.672065   5.584324   6.673135   5.526666   5.229085
    29  H    7.121567   6.530990   7.615441   6.191839   6.128413
    30  C    5.790079   4.915382   5.959862   4.991078   4.316762
    31  H    6.438427   5.569643   6.549320   5.807348   4.861251
    32  H    4.886212   3.868536   4.901751   4.053433   3.295232
    33  H    6.434678   5.125329   6.153168   5.042866   4.462579
    34  C    5.114816   5.804459   6.842644   5.896154   5.599636
    35  H    5.941412   6.640545   7.646972   6.836902   6.342530
    36  H    5.104548   6.261028   7.294756   6.226347   6.219090
    37  H    4.206073   4.976841   5.964014   5.204045   4.827705
    38  C    3.803024   5.932386   6.571186   5.403675   6.683006
    39  O    4.574352   6.142672   6.731427   5.425231   6.914036
    40  N    4.132458   6.302825   7.090483   5.863272   6.886081
    41  H    3.149464   5.728533   6.247135   5.351010   6.567422
    42  C    5.321934   6.964643   7.853473   6.411297   7.401535
    43  H    5.581628   6.795459   7.662090   6.095013   7.244168
    44  H    6.210691   8.047161   8.918810   7.497316   8.496178
    45  H    5.383078   6.812954   7.785304   6.345251   7.099734
    46  C    3.818097   6.414782   7.204596   6.219444   6.931377
    47  H    3.186609   6.187818   6.852897   6.096048   6.809896
    48  H    3.688368   5.941659   6.819697   5.829205   6.309649
    49  H    4.833578   7.496165   8.292374   7.310514   7.977555
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242622   0.000000
    28  N    1.361000   2.314990   0.000000
    29  H    1.107888   2.057551   2.057070   0.000000
    30  C    2.466342   3.635103   1.463446   2.562517   0.000000
    31  H    3.132203   4.223297   2.117196   3.254166   1.103026
    32  H    3.235403   4.327748   2.108221   3.398599   1.101865
    33  H    2.555437   3.797762   2.103601   2.164491   1.098633
    34  C    2.462388   2.850853   1.465167   3.413405   2.497457
    35  H    3.020884   3.316881   2.123849   3.939855   2.956030
    36  H    2.586907   2.504120   2.100756   3.660024   3.388681
    37  H    3.294061   3.810523   2.098267   4.116286   2.612857
    38  C    6.229187   6.043143   6.118779   6.817818   6.890157
    39  O    6.601759   6.444736   6.649671   7.022345   7.342062
    40  N    5.319070   4.971432   5.276769   6.044787   6.261120
    41  H    6.855734   6.755882   6.543326   7.491967   7.211202
    42  C    4.636442   4.077078   4.962361   5.295411   6.097311
    43  H    4.765521   4.333671   5.209691   5.213605   6.205130
    44  H    5.342429   4.574706   5.781033   6.031165   7.013548
    45  H    3.631066   3.023197   3.994141   4.384374   5.230781
    46  C    5.352162   5.015790   5.055741   6.249637   6.074945
    47  H    6.176640   5.972933   5.701146   7.049478   6.550396
    48  H    4.456945   4.238346   4.031674   5.398032   5.056059
    49  H    5.772188   5.225551   5.596183   6.736119   6.753972
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787629   0.000000
    33  H    1.798869   1.793999   0.000000
    34  C    2.817904   2.732127   3.420537   0.000000
    35  H    2.863688   3.350413   3.911013   1.103447   0.000000
    36  H    3.847804   3.596773   4.169387   1.097484   1.796118
    37  H    2.945700   2.391878   3.628828   1.099507   1.790929
    38  C    7.816644   6.437988   7.262214   5.775711   6.757115
    39  O    8.347867   6.910768   7.541874   6.549949   7.585157
    40  N    7.126143   5.974400   6.710733   4.815711   5.730248
    41  H    8.071257   6.630594   7.686169   6.039153   6.974776
    42  C    6.994508   6.048766   6.394090   4.761173   5.652616
    43  H    7.191676   6.141748   6.326900   5.288733   6.255069
    44  H    7.859486   7.041040   7.318375   5.495141   6.273584
    45  H    6.073091   5.312228   5.566412   3.810532   4.662568
    46  C    6.772836   5.773905   6.737005   4.214573   4.971468
    47  H    7.210706   6.086773   7.266940   4.783738   5.511782
    48  H    5.703410   4.803029   5.781942   3.119108   3.889486
    49  H    7.378628   6.576524   7.436880   4.656840   5.250878
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795828   0.000000
    38  C    5.109094   5.514003   0.000000
    39  O    5.923353   6.345205   1.243007   0.000000
    40  N    4.003186   4.733230   1.361065   2.314870   0.000000
    41  H    5.455863   5.599160   1.108607   2.058342   2.058293
    42  C    3.862122   4.990877   2.469762   2.862256   1.465523
    43  H    4.518777   5.498979   2.574154   2.470654   2.104674
    44  H    4.496726   5.817504   3.090391   3.436897   2.121482
    45  H    2.893919   4.198618   3.263017   3.761501   2.099276
    46  C    3.395615   4.044173   2.467126   3.634714   1.463264
    47  H    4.126109   4.376389   2.554879   3.796998   2.106054
    48  H    2.355831   2.965259   3.152534   4.227297   2.108296
    49  H    3.708982   4.656109   3.215860   4.320243   2.112026
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419083   0.000000
    43  H    3.654475   1.097821   0.000000
    44  H    3.994756   1.102530   1.796850   0.000000
    45  H    4.087858   1.100596   1.795784   1.789930   0.000000
    46  C    2.564973   2.488419   3.384294   2.944521   2.597745
    47  H    2.162691   3.418393   4.184278   3.879057   3.637252
    48  H    3.297113   2.758896   3.606556   3.395639   2.425268
    49  H    3.363100   2.760790   3.803217   2.806587   2.853810
                   46         47         48         49
    46  C    0.000000
    47  H    1.098601   0.000000
    48  H    1.103428   1.795746   0.000000
    49  H    1.101878   1.796632   1.790993   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2145279      0.1948481      0.1844522
 Leave Link  202 at Mon Nov 14 04:36:00 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.2145251827 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843592888 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0301658939 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4030
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.83D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     213
 GePol: Fraction of low-weight points (<1% of avg)   =       5.29%
 GePol: Cavity surface area                          =    468.282 Ang**2
 GePol: Cavity volume                                =    458.461 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040305082 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.0261353857 Hartrees.
 Leave Link  301 at Mon Nov 14 04:36:00 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37500.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:36:01 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:36:01 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000454   -0.000285   -0.000088
         Rot=    1.000000    0.000017    0.000004    0.000013 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:36:02 2016, MaxMem=  2952790016 cpu:         6.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48722700.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.02D-14 for   3227.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.85D-15 for   1822   1010.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.99D-15 for   2708.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.25D-10 for   2454   2453.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.27D-14 for   1875.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.10D-14 for   2124   1107.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2468.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.27D-16 for   2387    174.
 E= -1013.45141516279    
 DIIS: error= 2.96D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141516279     IErMin= 1 ErrMin= 2.96D-05
 ErrMax= 2.96D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-06 BMatP= 1.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=5.94D-06 MaxDP=1.64D-04              OVMax= 2.76D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.94D-06    CP:  1.00D+00
 E= -1013.45141721003     Delta-E=       -0.000002047238 Rises=F Damp=F
 DIIS: error= 4.59D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141721003     IErMin= 2 ErrMin= 4.59D-06
 ErrMax= 4.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-08 BMatP= 1.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-01 0.981D+00
 Coeff:      0.191D-01 0.981D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.25D-06 MaxDP=8.76D-05 DE=-2.05D-06 OVMax= 9.89D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.23D-06    CP:  1.00D+00  9.60D-01
 E= -1013.45141713503     Delta-E=        0.000000075001 Rises=F Damp=F
 DIIS: error= 1.27D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141721003     IErMin= 2 ErrMin= 4.59D-06
 ErrMax= 1.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-07 BMatP= 2.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.189D-02 0.710D+00 0.288D+00
 Coeff:      0.189D-02 0.710D+00 0.288D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.36D-07 MaxDP=7.19D-05 DE= 7.50D-08 OVMax= 8.70D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.85D-07    CP:  1.00D+00  9.73D-01  3.10D-01
 E= -1013.45141722569     Delta-E=       -0.000000090657 Rises=F Damp=F
 DIIS: error= 2.20D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141722569     IErMin= 4 ErrMin= 2.20D-06
 ErrMax= 2.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-09 BMatP= 2.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.772D-04 0.261D+00 0.171D+00 0.567D+00
 Coeff:     -0.772D-04 0.261D+00 0.171D+00 0.567D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.87D-07 MaxDP=1.27D-05 DE=-9.07D-08 OVMax= 1.63D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.31D-08    CP:  1.00D+00  9.77D-01  3.51D-01  6.06D-01
 E= -1013.45141722839     Delta-E=       -0.000000002708 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141722839     IErMin= 5 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-10 BMatP= 3.26D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-04 0.144D+00 0.101D+00 0.375D+00 0.380D+00
 Coeff:     -0.192D-04 0.144D+00 0.101D+00 0.375D+00 0.380D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.45D-08 MaxDP=4.55D-06 DE=-2.71D-09 OVMax= 3.65D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.07D-08    CP:  1.00D+00  9.77D-01  3.47D-01  6.21D-01  6.64D-01
 E= -1013.45141722869     Delta-E=       -0.000000000293 Rises=F Damp=F
 DIIS: error= 8.58D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141722869     IErMin= 6 ErrMin= 8.58D-08
 ErrMax= 8.58D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.11D-12 BMatP= 3.35D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.213D-04 0.379D-01 0.276D-01 0.108D+00 0.151D+00 0.675D+00
 Coeff:     -0.213D-04 0.379D-01 0.276D-01 0.108D+00 0.151D+00 0.675D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.11D-09 MaxDP=4.38D-07 DE=-2.93D-10 OVMax= 4.14D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141723     A.U. after    6 cycles
            NFock=  6  Conv=0.81D-08     -V/T= 2.0213
 KE= 9.923504799847D+02 PE=-6.029594700296D+03 EE= 2.174766667697D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:37:26 2016, MaxMem=  2952790016 cpu:       953.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37500.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     362
 Leave Link  701 at Mon Nov 14 04:37:35 2016, MaxMem=  2952790016 cpu:        96.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:37:35 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:38:12 2016, MaxMem=  2952790016 cpu:       440.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24490779D+00-2.53700904D+00 3.31962676D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000024717   -0.000040175   -0.000093154
      2        6           0.000026836    0.000026782    0.000012202
      3        8           0.000021677    0.000029720   -0.000011192
      4        7           0.000026715    0.000020817    0.000006829
      5        1           0.000012807    0.000017764    0.000025263
      6        6           0.000019198    0.000030822    0.000044321
      7        1           0.000009448    0.000017163    0.000031769
      8        1          -0.000014315    0.000023946    0.000020503
      9        1           0.000009195    0.000015850    0.000035442
     10        6           0.000021378    0.000029864    0.000004665
     11        1           0.000010194    0.000023004    0.000020371
     12        1           0.000014646    0.000026173    0.000008009
     13        1           0.000023717    0.000028558    0.000021636
     14        6           0.000007274   -0.000003945   -0.000005516
     15        8          -0.000008394   -0.000012445   -0.000025277
     16        7           0.000002330   -0.000015083   -0.000012302
     17        1           0.000003859    0.000005081   -0.000029173
     18        6          -0.000014250    0.000003987   -0.000020735
     19        1           0.000008295    0.000001118   -0.000038202
     20        1           0.000004365   -0.000004861   -0.000047560
     21        1           0.000000719   -0.000008880   -0.000036294
     22        6           0.000015130    0.000017704   -0.000035554
     23        1           0.000018149    0.000010998   -0.000039225
     24        1           0.000009439    0.000007937   -0.000015778
     25        1           0.000015026    0.000011009   -0.000028195
     26        6           0.000013011    0.000002716    0.000018241
     27        8          -0.000034827   -0.000002472    0.000030509
     28        7           0.000012506   -0.000006389    0.000024929
     29        1          -0.000001766    0.000004187    0.000028153
     30        6          -0.000002710   -0.000014672    0.000012388
     31        1           0.000003589    0.000009928    0.000009805
     32        1           0.000006143    0.000008343    0.000008578
     33        1           0.000004370    0.000010973    0.000011195
     34        6          -0.000001642   -0.000023399    0.000015405
     35        1          -0.000019089   -0.000020981    0.000006701
     36        1          -0.000020723   -0.000016499    0.000006675
     37        1          -0.000017914   -0.000010637   -0.000005570
     38        6          -0.000020336    0.000006223   -0.000019780
     39        8          -0.000003030   -0.000009978   -0.000000232
     40        7           0.000001872   -0.000028926    0.000028218
     41        1          -0.000006613   -0.000020734   -0.000021054
     42        6           0.000044669    0.000030516   -0.000023086
     43        1          -0.000012277   -0.000002861    0.000018116
     44        1          -0.000059650   -0.000049114    0.000055357
     45        1          -0.000001748   -0.000019807    0.000023155
     46        6          -0.000029895   -0.000024415   -0.000024014
     47        1          -0.000023329   -0.000020547   -0.000006434
     48        1          -0.000022880   -0.000031917    0.000004117
     49        1          -0.000026454   -0.000032445    0.000005775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000093154 RMS     0.000022503
 Leave Link  716 at Mon Nov 14 04:38:12 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000016934 RMS     0.000002562
 Search for a local minimum.
 Step number 102 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .25624D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
                                                    101  102
 DE= -1.07D-07 DEPred=-6.26D-08 R= 1.71D+00
 Trust test= 1.71D+00 RLast= 1.31D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1
 ITU=  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1
 ITU= -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1
 ITU=  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00005   0.00021   0.00051   0.00093   0.00111
     Eigenvalues ---    0.00114   0.00156   0.00196   0.00207   0.00238
     Eigenvalues ---    0.00255   0.00295   0.00379   0.00430   0.00479
     Eigenvalues ---    0.00589   0.00709   0.00744   0.00802   0.00827
     Eigenvalues ---    0.00866   0.00933   0.01042   0.01127   0.01147
     Eigenvalues ---    0.01201   0.01234   0.01306   0.01327   0.01530
     Eigenvalues ---    0.01551   0.01653   0.01707   0.01747   0.01816
     Eigenvalues ---    0.01821   0.01885   0.01915   0.01956   0.02058
     Eigenvalues ---    0.02210   0.02270   0.02374   0.02440   0.02504
     Eigenvalues ---    0.02559   0.02920   0.03088   0.03196   0.03694
     Eigenvalues ---    0.04201   0.04343   0.04560   0.05117   0.05600
     Eigenvalues ---    0.05812   0.05943   0.06126   0.06269   0.06372
     Eigenvalues ---    0.06550   0.06891   0.06941   0.07472   0.07506
     Eigenvalues ---    0.07577   0.07874   0.08039   0.08155   0.08270
     Eigenvalues ---    0.08434   0.08601   0.08878   0.08903   0.09315
     Eigenvalues ---    0.09445   0.09529   0.09806   0.09858   0.09958
     Eigenvalues ---    0.10086   0.10458   0.10653   0.10720   0.10808
     Eigenvalues ---    0.11236   0.11339   0.11508   0.11909   0.13248
     Eigenvalues ---    0.13437   0.14277   0.14904   0.15142   0.15269
     Eigenvalues ---    0.15481   0.16101   0.20499   0.22449   0.23257
     Eigenvalues ---    0.23488   0.24690   0.25010   0.25706   0.26342
     Eigenvalues ---    0.26870   0.27271   0.28561   0.29234   0.29662
     Eigenvalues ---    0.29794   0.30486   0.32802   0.32824   0.32835
     Eigenvalues ---    0.32930   0.33304   0.33350   0.33362   0.33382
     Eigenvalues ---    0.33393   0.33422   0.33523   0.33576   0.33700
     Eigenvalues ---    0.33799   0.33822   0.33838   0.33926   0.33951
     Eigenvalues ---    0.34042   0.34208   0.34265   0.37232   0.39134
     Eigenvalues ---    0.40428   0.40887   0.85944   0.86203   0.86478
     Eigenvalues ---    0.89238
 Eigenvalue     1 is   5.06D-05 Eigenvector:
                         D399      D381      D397      D383      D385
   1                   -0.23276  -0.22834  -0.21543  -0.21488  -0.21375
                         D387      D395      D405      D403      D407
   1                   -0.21115  -0.20674  -0.20637  -0.20567  -0.20490
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   102  101  100   99   98
 RFO step:  Lambda=-1.66966404D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.43D-07 SmlDif=  1.00D-05
 RMS Error=  0.1469284955D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.29857   -0.96609   -0.86296    0.51945    0.01103
 Iteration  1 RMS(Cart)=  0.00086808 RMS(Int)=  0.00000131
 Iteration  2 RMS(Cart)=  0.00000055 RMS(Int)=  0.00000047
 ITry= 1 IFail=0 DXMaxC= 5.70D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59400   0.00000  -0.00067  -0.00018  -0.00085   6.59315
    R2        6.26155   0.00000  -0.00032  -0.00005  -0.00038   6.26117
    R3        7.24916   0.00000  -0.00106  -0.00033  -0.00139   7.24777
    R4        6.34344   0.00000  -0.00112  -0.00042  -0.00155   6.34189
    R5        6.52819   0.00001  -0.00006  -0.00003  -0.00009   6.52810
    R6        5.97356   0.00000  -0.00004  -0.00017  -0.00020   5.97336
    R7        6.70089   0.00000  -0.00035  -0.00028  -0.00064   6.70026
    R8        6.22965   0.00000   0.00014  -0.00005   0.00009   6.22974
    R9        6.66371   0.00000   0.00075  -0.00001   0.00075   6.66446
   R10        6.06490   0.00000   0.00016  -0.00028  -0.00012   6.06479
   R11        6.95283   0.00000  -0.00010  -0.00018  -0.00027   6.95256
   R12        6.02750   0.00000  -0.00008  -0.00010  -0.00018   6.02732
   R13        6.88888   0.00000   0.00053  -0.00012   0.00042   6.88930
   R14        6.19371   0.00001  -0.00034  -0.00004  -0.00038   6.19334
   R15        6.85790   0.00001  -0.00121  -0.00039  -0.00161   6.85629
   R16        5.94696   0.00000  -0.00089  -0.00027  -0.00116   5.94580
   R17        6.68686   0.00000   0.00033   0.00029   0.00062   6.68748
   R18        6.57631   0.00000  -0.00035  -0.00029  -0.00063   6.57567
   R19        6.22116   0.00000  -0.00005  -0.00008  -0.00013   6.22103
   R20        6.57583   0.00000   0.00005  -0.00005   0.00000   6.57583
   R21        6.05066   0.00000  -0.00045  -0.00012  -0.00056   6.05010
   R22        7.00805   0.00000   0.00009  -0.00001   0.00008   7.00814
   R23        6.02075   0.00000   0.00067   0.00028   0.00096   6.02171
   R24        2.34965   0.00000   0.00000   0.00000  -0.00001   2.34965
   R25        2.57154   0.00000   0.00004   0.00001   0.00004   2.57159
   R26        2.09471   0.00000  -0.00001   0.00000  -0.00001   2.09470
   R27        2.76510   0.00000  -0.00001   0.00001  -0.00001   2.76509
   R28        2.76829   0.00000  -0.00001   0.00000  -0.00001   2.76827
   R29        2.07653   0.00000   0.00000   0.00000   0.00000   2.07653
   R30        2.08260  -0.00001   0.00003   0.00000   0.00003   2.08263
   R31        2.08301   0.00000   0.00001   0.00000   0.00001   2.08302
   R32        2.08108   0.00000   0.00002   0.00000   0.00002   2.08110
   R33        2.07466   0.00000   0.00000   0.00000   0.00001   2.07466
   R34        2.08351   0.00000   0.00000   0.00000   0.00000   2.08351
   R35        2.34874   0.00000   0.00001   0.00000   0.00001   2.34875
   R36        2.57176   0.00000  -0.00001   0.00000  -0.00002   2.57175
   R37        2.09418   0.00000   0.00001   0.00000   0.00001   2.09419
   R38        2.76833   0.00000  -0.00007   0.00000  -0.00006   2.76827
   R39        2.76511   0.00001  -0.00006   0.00000  -0.00005   2.76505
   R40        2.08185   0.00000  -0.00001   0.00000  -0.00001   2.08184
   R41        2.08409   0.00000   0.00001   0.00000   0.00001   2.08410
   R42        2.07392   0.00000  -0.00001  -0.00001  -0.00002   2.07390
   R43        2.08327   0.00000   0.00001   0.00000   0.00000   2.08327
   R44        2.08348   0.00000   0.00002   0.00001   0.00003   2.08351
   R45        2.07667   0.00000   0.00000   0.00000   0.00000   2.07667
   R46        2.34821   0.00001  -0.00002   0.00000  -0.00002   2.34819
   R47        2.57192   0.00000   0.00003   0.00000   0.00003   2.57194
   R48        2.09361   0.00000   0.00000   0.00000   0.00000   2.09360
   R49        2.76551   0.00000   0.00000   0.00001   0.00001   2.76553
   R50        2.76876   0.00000  -0.00002   0.00000  -0.00002   2.76875
   R51        2.08442   0.00000   0.00000   0.00000   0.00000   2.08442
   R52        2.08222   0.00000   0.00001   0.00000   0.00002   2.08224
   R53        2.07612   0.00000   0.00001   0.00001   0.00002   2.07613
   R54        2.08521   0.00000   0.00001   0.00000   0.00001   2.08522
   R55        2.07394   0.00000   0.00000   0.00000   0.00000   2.07395
   R56        2.07777   0.00000   0.00001   0.00000   0.00000   2.07777
   R57        2.34894  -0.00001   0.00002   0.00000   0.00002   2.34897
   R58        2.57204   0.00001  -0.00005   0.00001  -0.00004   2.57200
   R59        2.09496   0.00000   0.00000   0.00000  -0.00001   2.09496
   R60        2.76944   0.00000   0.00002  -0.00001   0.00001   2.76945
   R61        2.76517  -0.00001  -0.00004  -0.00001  -0.00005   2.76512
   R62        2.07458   0.00000  -0.00002  -0.00001  -0.00002   2.07456
   R63        2.08348   0.00000  -0.00002   0.00000  -0.00001   2.08347
   R64        2.07983   0.00001   0.00000   0.00001   0.00001   2.07984
   R65        2.07606   0.00000   0.00000   0.00000  -0.00001   2.07605
   R66        2.08518   0.00000  -0.00003   0.00000  -0.00003   2.08515
   R67        2.08225   0.00000   0.00002   0.00000   0.00002   2.08227
    A1        0.68060   0.00000   0.00010   0.00003   0.00013   0.68073
    A2        0.95758   0.00000   0.00016   0.00004   0.00020   0.95777
    A3        0.72726   0.00000   0.00004   0.00001   0.00006   0.72732
    A4        1.01931   0.00000   0.00007   0.00002   0.00010   1.01941
    A5        2.34956   0.00001   0.00065   0.00031   0.00095   2.35052
    A6        2.02781   0.00000   0.00032   0.00014   0.00046   2.02827
    A7        1.97807   0.00000  -0.00026  -0.00014  -0.00041   1.97766
    A8        1.68478   0.00000  -0.00032  -0.00020  -0.00051   1.68427
    A9        1.65922   0.00000   0.00052   0.00023   0.00075   1.65997
   A10        1.37719   0.00000   0.00046   0.00019   0.00065   1.37784
   A11        1.73415   0.00000   0.00013   0.00006   0.00019   1.73434
   A12        2.03927   0.00000   0.00025   0.00013   0.00038   2.03965
   A13        1.94552   0.00000   0.00042   0.00022   0.00063   1.94615
   A14        2.03520   0.00000   0.00068   0.00035   0.00103   2.03623
   A15        2.43284   0.00000   0.00010   0.00006   0.00016   2.43300
   A16        1.58577   0.00000  -0.00049  -0.00019  -0.00068   1.58509
   A17        1.78645   0.00000  -0.00050  -0.00016  -0.00066   1.78579
   A18        1.56579   0.00000  -0.00043  -0.00011  -0.00053   1.56525
   A19        1.70684   0.00000  -0.00035  -0.00005  -0.00041   1.70643
   A20        2.19001   0.00000  -0.00051  -0.00016  -0.00067   2.18934
   A21        2.40980   0.00000  -0.00062  -0.00018  -0.00080   2.40901
   A22        0.64329   0.00000   0.00008   0.00003   0.00010   0.64339
   A23        0.65942   0.00000   0.00004   0.00002   0.00006   0.65949
   A24        2.40550   0.00000   0.00106   0.00049   0.00155   2.40705
   A25        2.22904   0.00000   0.00063   0.00027   0.00091   2.22995
   A26        2.32227   0.00000  -0.00005  -0.00005  -0.00010   2.32218
   A27        2.05690   0.00000  -0.00020  -0.00015  -0.00035   2.05655
   A28        1.82143   0.00000   0.00066   0.00028   0.00094   1.82236
   A29        1.57979   0.00000   0.00052   0.00020   0.00073   1.58052
   A30        1.34056   0.00000   0.00008   0.00004   0.00012   1.34068
   A31        1.64060   0.00000   0.00020   0.00012   0.00032   1.64092
   A32        1.59257   0.00000   0.00038   0.00022   0.00060   1.59316
   A33        1.74707   0.00000   0.00065   0.00036   0.00100   1.74807
   A34        2.03629   0.00000   0.00008   0.00006   0.00013   2.03642
   A35        1.85078   0.00000  -0.00031  -0.00012  -0.00043   1.85035
   A36        1.91978   0.00000  -0.00029  -0.00007  -0.00035   1.91943
   A37        1.57234   0.00000  -0.00023  -0.00003  -0.00026   1.57207
   A38        1.59194   0.00000  -0.00017   0.00002  -0.00015   1.59179
   A39        2.27566   0.00000  -0.00028  -0.00004  -0.00032   2.27534
   A40        2.37076   0.00000  -0.00040  -0.00007  -0.00048   2.37028
   A41        0.68922   0.00000   0.00007   0.00003   0.00010   0.68932
   A42        0.74671   0.00000   0.00010   0.00004   0.00014   0.74685
   A43        2.67162   0.00000   0.00117   0.00054   0.00171   2.67333
   A44        2.60899   0.00000   0.00077   0.00033   0.00110   2.61009
   A45        2.65633   0.00000  -0.00022  -0.00015  -0.00037   2.65596
   A46        2.35096   0.00000  -0.00029  -0.00021  -0.00050   2.35046
   A47        2.20080   0.00000   0.00075   0.00031   0.00106   2.20186
   A48        1.96551   0.00000   0.00060   0.00023   0.00083   1.96635
   A49        1.09928   0.00000   0.00005   0.00006   0.00011   1.09939
   A50        1.45940   0.00000   0.00010   0.00011   0.00021   1.45961
   A51        1.56282   0.00000   0.00033   0.00022   0.00055   1.56338
   A52        1.80052   0.00000   0.00057   0.00034   0.00091   1.80143
   A53        1.78374   0.00000  -0.00009   0.00001  -0.00009   1.78365
   A54        1.71153   0.00000  -0.00013  -0.00004  -0.00017   1.71135
   A55        1.64887   0.00000  -0.00018  -0.00003  -0.00020   1.64866
   A56        1.24905   0.00000  -0.00018  -0.00002  -0.00020   1.24886
   A57        1.21828   0.00000  -0.00019   0.00001  -0.00018   1.21810
   A58        1.94399   0.00000  -0.00022  -0.00001  -0.00023   1.94375
   A59        1.99306   0.00000  -0.00043  -0.00008  -0.00051   1.99255
   A60        0.83984   0.00000  -0.00001   0.00001   0.00001   0.83985
   A61        0.77590   0.00000  -0.00002   0.00003   0.00001   0.77591
   A62        2.60917   0.00000   0.00071   0.00038   0.00110   2.61026
   A63        2.77660   0.00000   0.00080   0.00039   0.00119   2.77779
   A64        2.60858   0.00000  -0.00026  -0.00022  -0.00047   2.60811
   A65        2.39970   0.00000   0.00068   0.00030   0.00098   2.40068
   A66        2.20450   0.00000   0.00056   0.00022   0.00078   2.20528
   A67        0.85730   0.00000  -0.00006   0.00005  -0.00001   0.85729
   A68        1.23306   0.00000  -0.00006   0.00008   0.00002   1.23308
   A69        1.41547   0.00000   0.00012   0.00018   0.00031   1.41578
   A70        1.68825   0.00000   0.00030   0.00026   0.00056   1.68881
   A71        1.52014   0.00000  -0.00022  -0.00002  -0.00024   1.51990
   A72        1.72946   0.00000   0.00020   0.00005   0.00025   1.72971
   A73        1.56167   0.00000   0.00012   0.00006   0.00018   1.56184
   A74        1.13246   0.00000   0.00011   0.00006   0.00017   1.13263
   A75        1.02404   0.00000   0.00003   0.00006   0.00009   1.02413
   A76        1.77939   0.00000   0.00001   0.00006   0.00006   1.77946
   A77        1.77039   0.00000  -0.00028  -0.00004  -0.00032   1.77007
   A78        2.00859   0.00000   0.00112   0.00052   0.00164   2.01023
   A79        1.94968   0.00000   0.00080   0.00036   0.00116   1.95083
   A80        2.22393   0.00000   0.00034   0.00015   0.00049   2.22442
   A81        2.08002   0.00000   0.00006  -0.00002   0.00004   2.08006
   A82        1.55992   0.00000   0.00068   0.00028   0.00097   1.56088
   A83        1.39272   0.00000   0.00049   0.00019   0.00067   1.39339
   A84        1.19660   0.00000   0.00005   0.00001   0.00005   1.19666
   A85        1.38419   0.00000   0.00024   0.00011   0.00035   1.38454
   A86        1.21902   0.00000   0.00037   0.00020   0.00057   1.21959
   A87        1.32841   0.00000   0.00065   0.00035   0.00100   1.32941
   A88        1.81072   0.00000   0.00021   0.00009   0.00031   1.81103
   A89        2.28112   0.00000  -0.00034  -0.00013  -0.00047   2.28065
   A90        2.33071   0.00000  -0.00018  -0.00003  -0.00021   2.33050
   A91        1.93779   0.00000  -0.00009   0.00002  -0.00007   1.93772
   A92        1.86351   0.00000   0.00004   0.00008   0.00012   1.86363
   A93        2.61882   0.00000  -0.00002   0.00006   0.00004   2.61886
   A94        2.56169   0.00000  -0.00002   0.00006   0.00004   2.56173
   A95        1.92584   0.00000   0.00106   0.00049   0.00155   1.92739
   A96        2.00330   0.00000   0.00080   0.00036   0.00116   2.00446
   A97        2.37669   0.00000   0.00051   0.00024   0.00075   2.37744
   A98        2.32898   0.00000   0.00016   0.00004   0.00020   2.32918
   A99        1.67201   0.00000   0.00059   0.00024   0.00083   1.67285
   A100       1.57806   0.00000   0.00038   0.00014   0.00052   1.57859
   A101       0.88945   0.00000   0.00005   0.00000   0.00005   0.88950
   A102       1.06226   0.00000   0.00022   0.00011   0.00034   1.06259
   A103       0.93489   0.00000   0.00034   0.00020   0.00054   0.93543
   A104       1.09913   0.00000   0.00058   0.00033   0.00091   1.10004
   A105       1.48859   0.00000   0.00020   0.00009   0.00029   1.48888
   A106       2.45727   0.00000  -0.00006  -0.00001  -0.00008   2.45719
   A107       2.33501   0.00000   0.00016   0.00010   0.00026   2.33527
   A108       1.90268   0.00000   0.00016   0.00010   0.00027   1.90295
   A109       1.73297   0.00000   0.00026   0.00015   0.00041   1.73338
   A110       2.45703   0.00000   0.00030   0.00018   0.00049   2.45751
   A111       2.29733   0.00000   0.00018   0.00013   0.00031   2.29764
   A112       0.71337   0.00000  -0.00002   0.00002   0.00000   0.71337
   A113       1.00517   0.00000  -0.00003   0.00003   0.00000   1.00517
   A114       0.69570   0.00000   0.00002   0.00003   0.00005   0.69575
   A115       0.98358   0.00000   0.00003   0.00004   0.00006   0.98364
   A116       1.80747   0.00000   0.00040   0.00014   0.00055   1.80801
   A117       1.42715   0.00000   0.00043   0.00013   0.00056   1.42771
   A118       1.19531   0.00000   0.00053   0.00018   0.00071   1.19602
   A119       0.92127   0.00000   0.00044   0.00013   0.00057   0.92184
   A120       1.25046   0.00000   0.00024   0.00006   0.00030   1.25076
   A121       1.89673   0.00000  -0.00104  -0.00050  -0.00154   1.89519
   A122       1.94372   0.00000  -0.00092  -0.00049  -0.00141   1.94231
   A123       2.30379   0.00000  -0.00076  -0.00043  -0.00120   2.30259
   A124       2.22437   0.00000  -0.00042  -0.00030  -0.00072   2.22365
   A125       1.60193   0.00000  -0.00077  -0.00044  -0.00121   1.60071
   A126       1.47219  -0.00001  -0.00040  -0.00030  -0.00070   1.47149
   A127       0.65656   0.00000  -0.00003   0.00002  -0.00001   0.65655
   A128       0.66079   0.00000  -0.00002   0.00001  -0.00001   0.66078
   A129       2.17053   0.00000   0.00037   0.00013   0.00050   2.17103
   A130       1.79856   0.00000   0.00039   0.00011   0.00050   1.79906
   A131       1.50572   0.00000   0.00041   0.00011   0.00052   1.50624
   A132       1.21290   0.00000   0.00032   0.00008   0.00040   1.21330
   A133       1.64367   0.00000   0.00027   0.00008   0.00035   1.64402
   A134       1.74438   0.00000  -0.00100  -0.00046  -0.00146   1.74292
   A135       1.94411   0.00000  -0.00093  -0.00045  -0.00138   1.94273
   A136       2.37411   0.00000  -0.00091  -0.00045  -0.00135   2.37275
   A137       2.45524   0.00000  -0.00063  -0.00036  -0.00099   2.45425
   A138       1.71362   0.00000  -0.00073  -0.00040  -0.00113   1.71249
   A139       1.68078  -0.00001  -0.00031  -0.00024  -0.00054   1.68024
   A140       0.70474   0.00000  -0.00007   0.00000  -0.00007   0.70467
   A141       0.83138   0.00000  -0.00012  -0.00003  -0.00015   0.83123
   A142       2.49965   0.00000   0.00044   0.00020   0.00064   2.50029
   A143       2.12084   0.00000   0.00048   0.00020   0.00068   2.12152
   A144       1.90328   0.00000   0.00046   0.00017   0.00063   1.90390
   A145       1.61798   0.00000   0.00034   0.00011   0.00045   1.61843
   A146       1.83879   0.00000   0.00044   0.00020   0.00063   1.83943
   A147       1.31971   0.00000  -0.00093  -0.00045  -0.00137   1.31834
   A148       1.56016   0.00000  -0.00082  -0.00041  -0.00123   1.55893
   A149       1.99097   0.00000  -0.00083  -0.00041  -0.00124   1.98973
   A150       2.17007   0.00000  -0.00067  -0.00035  -0.00103   2.16904
   A151       1.42105   0.00000  -0.00056  -0.00032  -0.00088   1.42016
   A152       1.48673   0.00000  -0.00013  -0.00013  -0.00026   1.48646
   A153       0.76790   0.00000   0.00000   0.00003   0.00003   0.76793
   A154       0.76751   0.00000  -0.00005  -0.00001  -0.00006   0.76745
   A155       2.81058   0.00000   0.00039   0.00019   0.00057   2.81116
   A156       2.42927   0.00000   0.00042   0.00018   0.00060   2.42987
   A157       2.16102   0.00000   0.00036   0.00012   0.00048   2.16150
   A158       1.86712   0.00000   0.00028   0.00009   0.00036   1.86748
   A159       2.14849   0.00000   0.00039   0.00020   0.00059   2.14908
   A160       1.18502   0.00000  -0.00085  -0.00038  -0.00123   1.18379
   A161       1.51095   0.00000  -0.00077  -0.00034  -0.00110   1.50985
   A162       1.90777   0.00000  -0.00081  -0.00036  -0.00117   1.90660
   A163       2.16792   0.00000  -0.00075  -0.00033  -0.00107   2.16685
   A164       1.49570   0.00000  -0.00051  -0.00024  -0.00076   1.49494
   A165       1.63842   0.00000  -0.00013  -0.00008  -0.00021   1.63820
   A166       2.15911   0.00000   0.00021   0.00002   0.00022   2.15933
   A167       1.86116   0.00000   0.00019   0.00000   0.00019   1.86135
   A168       1.47531   0.00000   0.00015  -0.00002   0.00013   1.47544
   A169       1.19611   0.00000   0.00012  -0.00002   0.00010   1.19621
   A170       1.86833   0.00000   0.00010  -0.00002   0.00008   1.86840
   A171       1.95277   0.00000  -0.00084  -0.00035  -0.00118   1.95159
   A172       2.25708   0.00000  -0.00085  -0.00037  -0.00122   2.25586
   A173       2.67424   0.00000  -0.00084  -0.00035  -0.00118   2.67306
   A174       2.10350   0.00000  -0.00070  -0.00036  -0.00106   2.10245
   A175       2.08913   0.00000  -0.00031  -0.00022  -0.00053   2.08860
   A176       2.26827   0.00000   0.00013  -0.00002   0.00012   2.26839
   A177       2.04933   0.00000   0.00013  -0.00002   0.00010   2.04944
   A178       1.63855   0.00000   0.00005  -0.00005   0.00000   1.63855
   A179       1.38812   0.00000   0.00006  -0.00002   0.00003   1.38815
   A180       2.13494   0.00000   0.00007  -0.00002   0.00004   2.13499
   A181       1.88757   0.00000  -0.00069  -0.00027  -0.00097   1.88661
   A182       2.26070   0.00000  -0.00071  -0.00028  -0.00099   2.25971
   A183       2.58283   0.00000  -0.00057  -0.00019  -0.00076   2.58207
   A184       2.24425   0.00000  -0.00064  -0.00031  -0.00095   2.24330
   A185       2.30751   0.00000  -0.00029  -0.00019  -0.00048   2.30703
   A186       0.69178   0.00000   0.00002   0.00003   0.00005   0.69183
   A187       0.98291   0.00000   0.00007   0.00004   0.00012   0.98303
   A188       0.69910   0.00000  -0.00005  -0.00001  -0.00006   0.69904
   A189       2.12733   0.00000   0.00056   0.00029   0.00085   2.12818
   A190       1.74522   0.00000   0.00054   0.00028   0.00081   1.74604
   A191       1.41640   0.00000   0.00053   0.00026   0.00079   1.41719
   A192       1.11114   0.00000   0.00054   0.00026   0.00080   1.11194
   A193       1.63013   0.00000   0.00044   0.00025   0.00069   1.63082
   A194       1.41625   0.00000   0.00021   0.00016   0.00037   1.41662
   A195       0.66750   0.00000   0.00008   0.00001   0.00009   0.66759
   A196       2.26453   0.00000   0.00040   0.00020   0.00060   2.26513
   A197       1.86530   0.00000   0.00040   0.00019   0.00058   1.86588
   A198       1.64863   0.00000   0.00040   0.00019   0.00059   1.64922
   A199       1.32823   0.00000   0.00041   0.00018   0.00060   1.32883
   A200       1.61462   0.00000   0.00032   0.00016   0.00048   1.61510
   A201       1.34681   0.00000   0.00019   0.00010   0.00030   1.34710
   A202       0.71138   0.00000   0.00007   0.00001   0.00008   0.71146
   A203       2.64386   0.00000   0.00036   0.00015   0.00051   2.64437
   A204       2.25994   0.00000   0.00042   0.00017   0.00059   2.26053
   A205       2.06133   0.00000   0.00050   0.00023   0.00073   2.06206
   A206       1.74112   0.00000   0.00051   0.00022   0.00073   1.74185
   A207       1.95072   0.00000   0.00030   0.00011   0.00041   1.95113
   A208       1.66794   0.00000   0.00025   0.00008   0.00033   1.66827
   A209       0.83426   0.00000  -0.00001  -0.00005  -0.00006   0.83421
   A210       2.66212   0.00000  -0.00018  -0.00016  -0.00034   2.66179
   A211       2.37692   0.00000   0.00010  -0.00003   0.00006   2.37698
   A212       2.29893   0.00000   0.00037   0.00013   0.00050   2.29943
   A213       1.98248   0.00000   0.00041   0.00014   0.00055   1.98303
   A214       1.99849   0.00000   0.00000  -0.00008  -0.00008   1.99841
   A215       1.72170   0.00000   0.00006  -0.00006   0.00000   1.72170
   A216       1.93301   0.00000   0.00027   0.00013   0.00040   1.93341
   A217       1.56358   0.00000   0.00026   0.00011   0.00037   1.56395
   A218       1.49107   0.00000   0.00022   0.00007   0.00029   1.49136
   A219       1.19801   0.00000   0.00022   0.00006   0.00027   1.19828
   A220       1.24052   0.00000   0.00025   0.00011   0.00036   1.24088
   A221       0.95937   0.00000   0.00019   0.00008   0.00027   0.95964
   A222       0.72553   0.00000   0.00002   0.00002   0.00004   0.72557
   A223       1.01726   0.00000   0.00002   0.00002   0.00004   1.01730
   A224       0.69788   0.00000   0.00001   0.00001   0.00003   0.69790
   A225       0.98157   0.00000   0.00004   0.00003   0.00007   0.98164
   A226       0.65779   0.00000   0.00000   0.00001   0.00001   0.65780
   A227       0.66219   0.00000  -0.00005  -0.00002  -0.00007   0.66212
   A228       0.70424   0.00000  -0.00004   0.00000  -0.00004   0.70419
   A229       0.84915   0.00000  -0.00019  -0.00007  -0.00026   0.84889
   A230       0.75736   0.00000  -0.00003   0.00000  -0.00004   0.75733
   A231       0.77885   0.00000  -0.00024  -0.00009  -0.00033   0.77852
   A232       1.58911   0.00001  -0.00010   0.00003  -0.00007   1.58904
   A233       1.86381  -0.00001   0.00000  -0.00011  -0.00012   1.86369
   A234       2.19018   0.00000  -0.00003   0.00001  -0.00002   2.19016
   A235       2.12923   0.00000   0.00004   0.00000   0.00003   2.12926
   A236       1.96341   0.00000  -0.00001   0.00000  -0.00001   1.96340
   A237       2.12394  -0.00001   0.00002  -0.00002   0.00000   2.12395
   A238       2.12643   0.00000  -0.00002   0.00000  -0.00002   2.12641
   A239       2.03211   0.00000  -0.00002   0.00001   0.00000   2.03210
   A240       1.82912   0.00000  -0.00038  -0.00011  -0.00049   1.82864
   A241       2.54503   0.00000   0.00039   0.00010   0.00050   2.54553
   A242       1.91391   0.00000   0.00003  -0.00001   0.00002   1.91393
   A243       1.91639   0.00000  -0.00002  -0.00001  -0.00003   1.91637
   A244       1.91661   0.00000   0.00005   0.00002   0.00006   1.91668
   A245       1.91027   0.00000   0.00004   0.00000   0.00004   1.91031
   A246       1.90829   0.00000  -0.00003   0.00000  -0.00003   1.90827
   A247       1.89824   0.00000  -0.00007   0.00001  -0.00007   1.89817
   A248       1.28480   0.00000   0.00016   0.00009   0.00024   1.28505
   A249       1.90436   0.00000   0.00008   0.00002   0.00011   1.90446
   A250       1.90937   0.00000   0.00005  -0.00001   0.00004   1.90941
   A251       1.92791   0.00000  -0.00002  -0.00001  -0.00004   1.92788
   A252       1.91105   0.00000  -0.00006  -0.00001  -0.00007   1.91099
   A253       1.89797   0.00000  -0.00004  -0.00001  -0.00004   1.89793
   A254       1.91305   0.00000  -0.00001   0.00001   0.00000   1.91305
   A255       1.72388   0.00000  -0.00008  -0.00003  -0.00011   1.72377
   A256       1.76431  -0.00001  -0.00011  -0.00005  -0.00016   1.76414
   A257       2.19166   0.00000   0.00001   0.00000   0.00001   2.19167
   A258       2.12946   0.00000  -0.00002   0.00001  -0.00001   2.12945
   A259       1.96185   0.00000   0.00001  -0.00001   0.00000   1.96185
   A260       2.12556   0.00000   0.00006   0.00001   0.00007   2.12563
   A261       2.12279   0.00000   0.00006   0.00001   0.00007   2.12286
   A262       2.03456   0.00000  -0.00011  -0.00003  -0.00014   2.03442
   A263       1.36210   0.00000   0.00063   0.00018   0.00081   1.36292
   A264       1.90121   0.00000   0.00000   0.00000   0.00000   1.90122
   A265       1.93080   0.00000  -0.00005  -0.00001  -0.00006   1.93073
   A266       1.90970  -0.00001   0.00005  -0.00001   0.00005   1.90975
   A267       1.89665   0.00000  -0.00004  -0.00001  -0.00005   1.89660
   A268       1.91401   0.00000   0.00008   0.00003   0.00010   1.91411
   A269       1.91136   0.00000  -0.00004   0.00001  -0.00004   1.91132
   A270       2.67338   0.00000   0.00011   0.00011   0.00022   2.67360
   A271       1.68963   0.00000  -0.00015  -0.00011  -0.00026   1.68937
   A272       1.92506   0.00000   0.00005  -0.00001   0.00004   1.92510
   A273       1.91258   0.00000  -0.00004  -0.00001  -0.00006   1.91252
   A274       1.91384   0.00000   0.00006   0.00002   0.00009   1.91393
   A275       1.89409   0.00000  -0.00009  -0.00002  -0.00011   1.89399
   A276       1.91106   0.00000   0.00001   0.00000   0.00001   1.91107
   A277       1.90701   0.00000   0.00001   0.00001   0.00002   1.90703
   A278       1.81353  -0.00002   0.00055   0.00019   0.00074   1.81426
   A279       1.74970   0.00000  -0.00026  -0.00021  -0.00047   1.74923
   A280       2.18987  -0.00001   0.00000  -0.00001  -0.00001   2.18986
   A281       2.13056   0.00001  -0.00002   0.00002  -0.00001   2.13055
   A282       1.96269   0.00000   0.00003  -0.00001   0.00002   1.96270
   A283       2.12278   0.00000  -0.00008   0.00000  -0.00007   2.12270
   A284       2.11485   0.00000  -0.00002   0.00000  -0.00002   2.11483
   A285       2.04256   0.00000   0.00007   0.00000   0.00008   2.04264
   A286       2.70264   0.00000   0.00063   0.00027   0.00090   2.70355
   A287       1.65610   0.00000  -0.00068  -0.00029  -0.00098   1.65512
   A288       1.92646   0.00000   0.00011   0.00002   0.00013   1.92658
   A289       1.91518   0.00000   0.00004  -0.00002   0.00002   1.91520
   A290       1.91215   0.00000  -0.00005  -0.00001  -0.00005   1.91210
   A291       1.89089   0.00000  -0.00001   0.00000  -0.00001   1.89088
   A292       1.91255   0.00000   0.00000   0.00000   0.00000   1.91255
   A293       1.90639   0.00000  -0.00009   0.00001  -0.00008   1.90630
   A294       1.35014  -0.00001   0.00077   0.00016   0.00093   1.35107
   A295       1.15490   0.00000  -0.00042  -0.00007  -0.00049   1.15440
   A296       1.93323   0.00000  -0.00001   0.00003   0.00002   1.93324
   A297       1.90733   0.00000   0.00003   0.00000   0.00004   1.90737
   A298       1.90180   0.00000   0.00002  -0.00001   0.00001   1.90181
   A299       1.90916   0.00000  -0.00001   0.00001   0.00000   1.90915
   A300       1.89846   0.00000  -0.00005   0.00000  -0.00005   1.89841
   A301       1.91378   0.00000   0.00002  -0.00003  -0.00001   1.91377
   A302       1.64633   0.00000  -0.00005  -0.00008  -0.00013   1.64620
   A303       1.80597   0.00000  -0.00003   0.00000  -0.00003   1.80594
   A304       2.18900   0.00000   0.00001  -0.00002  -0.00001   2.18899
   A305       2.13026   0.00000  -0.00002   0.00001  -0.00001   2.13025
   A306       1.96357   0.00000   0.00001   0.00001   0.00002   1.96359
   A307       2.12500   0.00000   0.00004   0.00000   0.00004   2.12505
   A308       2.12407   0.00000   0.00007   0.00001   0.00008   2.12415
   A309       2.03061   0.00000  -0.00012  -0.00002  -0.00013   2.03048
   A310       1.30010   0.00000   0.00022   0.00004   0.00026   1.30036
   A311       3.05005   0.00000  -0.00039  -0.00004  -0.00044   3.04961
   A312       1.91198   0.00000  -0.00001   0.00000  -0.00001   1.91198
   A313       1.93045   0.00000  -0.00002   0.00000  -0.00001   1.93044
   A314       1.90163   0.00000  -0.00010  -0.00003  -0.00013   1.90151
   A315       1.91106   0.00000   0.00016   0.00001   0.00017   1.91123
   A316       1.91187   0.00000   0.00005   0.00001   0.00007   1.91193
   A317       1.89668   0.00000  -0.00009   0.00000  -0.00009   1.89659
   A318       1.78125   0.00000  -0.00044  -0.00025  -0.00069   1.78056
   A319       1.91582   0.00000   0.00006   0.00000   0.00005   1.91587
   A320       1.91386   0.00000  -0.00007  -0.00002  -0.00009   1.91377
   A321       1.92068   0.00000   0.00001   0.00002   0.00002   1.92070
   A322       1.90717   0.00000   0.00011   0.00001   0.00011   1.90728
   A323       1.91055  -0.00001  -0.00006  -0.00001  -0.00007   1.91048
   A324       1.89558   0.00000  -0.00004   0.00000  -0.00004   1.89555
   A325       2.93565   0.00000  -0.00010  -0.00011  -0.00021   2.93544
   A326       3.36606   0.00000   0.00017   0.00017   0.00035   3.36641
   A327       3.08403   0.00000   0.00011   0.00014   0.00025   3.08428
   A328       3.19785   0.00000   0.00015   0.00010   0.00024   3.19810
   A329       3.27346   0.00000   0.00059   0.00019   0.00078   3.27424
   A330       3.25929   0.00000   0.00076   0.00017   0.00093   3.26022
   A331       3.69180   0.00000  -0.00050  -0.00026  -0.00076   3.69104
   A332       3.22521   0.00001   0.00063   0.00036   0.00099   3.22620
   A333       2.96966   0.00000  -0.00090  -0.00036  -0.00126   2.96840
   A334       2.90460   0.00000  -0.00066  -0.00025  -0.00092   2.90368
   A335       3.22919   0.00000  -0.00006   0.00003  -0.00003   3.22915
   A336       3.07605   0.00000  -0.00002  -0.00006  -0.00008   3.07597
   A337       3.10474   0.00000  -0.00013   0.00000  -0.00012   3.10462
   A338       3.04637   0.00000   0.00017   0.00009   0.00026   3.04663
    D1        2.75812   0.00000   0.00003   0.00001   0.00004   2.75816
    D2       -1.36101   0.00000   0.00003   0.00000   0.00002  -1.36099
    D3        2.78029   0.00000  -0.00016  -0.00002  -0.00019   2.78011
    D4       -1.33884   0.00000  -0.00016  -0.00004  -0.00020  -1.33904
    D5        1.66194   0.00000   0.00000  -0.00001  -0.00001   1.66193
    D6       -2.45720   0.00000   0.00000  -0.00003  -0.00002  -2.45722
    D7        1.84285   0.00000  -0.00007  -0.00004  -0.00011   1.84274
    D8       -2.27629   0.00000  -0.00007  -0.00006  -0.00013  -2.27641
    D9        0.30569   0.00000  -0.00136  -0.00063  -0.00198   0.30371
   D10        2.46974   0.00000  -0.00135  -0.00064  -0.00200   2.46774
   D11        0.02362   0.00000  -0.00092  -0.00042  -0.00134   0.02228
   D12        2.18767   0.00000  -0.00092  -0.00044  -0.00135   2.18632
   D13       -0.44492   0.00000  -0.00079  -0.00038  -0.00117  -0.44609
   D14        1.71913   0.00000  -0.00079  -0.00040  -0.00119   1.71795
   D15       -0.56420   0.00000  -0.00049  -0.00023  -0.00072  -0.56492
   D16        1.59985   0.00000  -0.00049  -0.00024  -0.00073   1.59912
   D17        0.20744   0.00000  -0.00045  -0.00018  -0.00063   0.20681
   D18        2.37150   0.00000  -0.00045  -0.00020  -0.00065   2.37085
   D19        0.14239   0.00000  -0.00021  -0.00008  -0.00029   0.14209
   D20        2.30644   0.00000  -0.00021  -0.00009  -0.00031   2.30613
   D21        2.39606   0.00000  -0.00007  -0.00009  -0.00016   2.39590
   D22       -1.72307   0.00000  -0.00007  -0.00011  -0.00018  -1.72325
   D23        2.15402   0.00000   0.00015  -0.00001   0.00014   2.15416
   D24       -1.96511   0.00000   0.00015  -0.00003   0.00012  -1.96499
   D25        1.71020   0.00000  -0.00006  -0.00010  -0.00015   1.71005
   D26       -2.40893   0.00000  -0.00005  -0.00012  -0.00017  -2.40910
   D27        1.40297   0.00000  -0.00013  -0.00012  -0.00025   1.40272
   D28       -2.71616   0.00000  -0.00013  -0.00014  -0.00026  -2.71643
   D29        2.36729   0.00000   0.00057   0.00017   0.00074   2.36803
   D30       -1.75184   0.00000   0.00057   0.00016   0.00073  -1.75112
   D31       -1.74838   0.00000   0.00042   0.00017   0.00059  -1.74779
   D32        0.41567   0.00000   0.00042   0.00016   0.00057   0.41625
   D33       -2.09845   0.00000   0.00042   0.00018   0.00060  -2.09785
   D34        0.06561   0.00000   0.00042   0.00016   0.00058   0.06619
   D35       -2.47366   0.00000   0.00039   0.00015   0.00055  -2.47311
   D36       -0.30960   0.00000   0.00039   0.00013   0.00053  -0.30907
   D37       -2.76221   0.00000   0.00045   0.00017   0.00062  -2.76159
   D38       -0.59816   0.00000   0.00045   0.00016   0.00061  -0.59755
   D39       -2.12386   0.00000   0.00042   0.00023   0.00065  -2.12321
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   D41       -2.36631   0.00000   0.00032   0.00019   0.00051  -2.36579
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   D484      -1.43033   0.00000   0.00053   0.00009   0.00062  -1.42971
   D485       0.65346   0.00000   0.00034   0.00008   0.00042   0.65388
   D486      -0.08820   0.00000   0.00046   0.00022   0.00068  -0.08752
   D487       2.00712   0.00000   0.00058   0.00022   0.00080   2.00793
   D488      -2.19198   0.00000   0.00050   0.00022   0.00072  -2.19126
   D489      -3.14143   0.00000   0.00050   0.00028   0.00078  -3.14065
   D490      -1.04610   0.00000   0.00062   0.00028   0.00090  -1.04521
   D491       1.03798   0.00000   0.00054   0.00028   0.00081   1.03879
         Item               Value     Threshold  Converged?
 Maximum Force            0.000017     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.005695     0.001800     NO 
 RMS     Displacement     0.000868     0.001200     YES
 Predicted change in Energy=-9.248277D-08
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:38:13 2016, MaxMem=  2952790016 cpu:        13.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.816064   -0.587476    1.667403
      2          6           0       -2.071339    1.120467   -1.364181
      3          8           0       -2.620076    0.139905   -1.896513
      4          7           0       -0.778359    1.169816   -0.942739
      5          1           0       -2.621182    2.060320   -1.156707
      6          6           0       -0.240834    2.339186   -0.246563
      7          1           0       -0.999592    3.133506   -0.217921
      8          1           0        0.041350    2.063893    0.782598
      9          1           0        0.654519    2.708537   -0.772828
     10          6           0        0.134186    0.036846   -1.114768
     11          1           0        0.702214   -0.113412   -0.183337
     12          1           0       -0.445833   -0.867655   -1.340075
     13          1           0        0.844193    0.234916   -1.934686
     14          6           0       -2.017597   -3.992572    2.634949
     15          8           0       -2.144875   -3.833847    3.861090
     16          7           0       -2.951792   -3.682175    1.695264
     17          1           0       -1.087168   -4.396255    2.188361
     18          6           0       -4.250342   -3.109243    2.057842
     19          1           0       -4.502486   -2.312535    1.339968
     20          1           0       -5.038641   -3.879665    2.021401
     21          1           0       -4.194222   -2.689880    3.070464
     22          6           0       -2.696901   -3.873762    0.267226
     23          1           0       -3.405562   -4.606323   -0.152871
     24          1           0       -2.827729   -2.916079   -0.263187
     25          1           0       -1.668560   -4.232221    0.120041
     26          6           0        1.574406    0.370242    2.604591
     27          8           0        1.417035    1.389791    3.297290
     28          7           0        1.184905   -0.887223    2.950175
     29          1           0        2.051962    0.405761    1.605545
     30          6           0        1.479286   -2.042251    2.101090
     31          1           0        2.228540   -2.692519    2.583209
     32          1           0        0.561213   -2.630302    1.941512
     33          1           0        1.861193   -1.697296    1.130437
     34          6           0        0.545671   -1.155266    4.240996
     35          1           0        1.294264   -1.458538    4.992820
     36          1           0        0.029999   -0.249641    4.585088
     37          1           0       -0.181687   -1.970450    4.117123
     38          6           0       -4.608128    1.083165    2.900944
     39          8           0       -4.854674    1.658934    1.827258
     40          7           0       -3.540613    1.338213    3.705806
     41          1           0       -5.247337    0.265363    3.290322
     42          6           0       -2.545981    2.359880    3.367164
     43          1           0       -2.623913    2.609239    2.300894
     44          1           0       -2.703045    3.269313    3.970339
     45          1           0       -1.541075    1.964913    3.580457
     46          6           0       -3.262934    0.530460    4.893872
     47          1           0       -4.071979   -0.197003    5.046066
     48          1           0       -2.308917   -0.007994    4.761816
     49          1           0       -3.180728    1.179047    5.780854
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.488945   0.000000
     3  O    3.725187   1.243379   0.000000
     4  N    3.313268   1.360825   2.315669   0.000000
     5  H    3.954066   1.108466   2.057987   2.057857   0.000000
     6  C    3.835357   2.466798   3.635927   1.463223   2.563627
     7  H    4.250504   2.552427   3.795431   2.104848   2.159306
     8  H    3.355984   3.156290   4.238226   2.109049   3.293933
     9  H    4.787714   3.209668   4.310860   2.109425   3.361215
    10  C    3.454522   2.469976   2.864909   1.464907   3.418809
    11  H    3.160965   3.257215   3.746566   2.101300   4.088707
    12  H    3.316769   2.568167   2.460109   2.102317   3.652233
    13  H    4.552839   3.100001   3.465782   2.119120   3.993266
    14  C    3.545623   6.491464   6.162345   6.402016   7.167878
    15  O    3.931832   7.200978   7.011884   7.069708   7.755409
    16  N    3.296638   5.762011   5.255397   5.935039   6.420226
    17  H    3.912734   6.635011   6.293867   6.393770   7.431692
    18  C    3.526679   5.860780   5.371374   6.274432   6.301736
    19  H    3.209347   5.000840   4.475795   5.586290   5.375366
    20  H    4.620479   6.728177   6.111992   7.241090   7.157367
    21  H    3.470492   6.220245   5.929290   6.532317   6.550407
    22  C    3.679136   5.291043   4.560394   5.530144   6.103003
    23  H    4.689460   6.003628   5.117026   6.394518   6.787273
    24  H    3.189519   4.251825   3.471298   4.621281   5.060196
    25  H    3.962355   5.569239   4.907888   5.577093   6.491044
    26  C    3.645659   5.441088   6.156840   4.331094   5.882744
    27  O    4.125415   5.828430   6.695974   4.779748   6.049371
    28  N    3.277372   5.766075   6.246860   4.820850   6.327780
    29  H    3.993992   5.131441   5.844915   3.884359   5.675022
    30  C    3.628193   5.883691   6.127594   4.967819   6.652681
    31  H    4.650670   6.972067   7.183288   6.032527   7.752178
    32  H    3.146382   5.650328   5.703077   4.955225   6.459763
    33  H    3.878435   5.443135   5.711349   4.414253   6.280318
    34  C    3.538864   6.591336   7.026268   5.833539   7.035919
    35  H    4.635871   7.641337   8.083316   6.814314   8.095046
    36  H    3.469145   6.456517   7.013259   5.764128   6.732970
    37  H    3.253450   6.570331   6.823721   5.984939   7.071883
    38  C    3.479697   4.962659   5.278038   5.426651   4.622480
    39  O    3.782203   4.268745   4.600799   4.952622   3.748819
    40  N    3.292026   5.283082   5.802527   5.409934   5.001083
    41  H    3.890351   5.699347   5.815625   6.221623   5.467598
    42  C    3.479781   4.913965   5.713150   4.807911   4.534402
    43  H    3.357516   3.994315   4.869893   3.999895   3.500904
    44  H    4.578762   5.785645   6.649814   5.678965   5.268298
    45  H    3.201576   5.044177   5.872998   4.655451   4.859677
    46  C    3.708546   6.397752   6.831920   6.375571   6.273900
    47  H    4.081297   6.843212   7.100770   6.970073   6.758307
    48  H    3.186549   6.233595   6.667237   6.022607   6.277289
    49  H    4.680105   7.230885   7.767632   7.139899   7.015660
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098853   0.000000
     8  H    1.102082   1.796850   0.000000
     9  H    1.102285   1.795718   1.791896   0.000000
    10  C    2.489014   3.417469   2.778045   2.743283   0.000000
    11  H    2.628417   3.666036   2.471929   2.883257   1.101271
    12  H    3.394351   4.192275   3.651994   3.784401   1.097864
    13  H    2.907747   3.840397   3.372439   2.739468   1.102546
    14  C    7.179913   7.743139   6.659673   7.978597   5.909886
    15  O    7.655358   8.154386   7.002859   8.491913   6.703397
    16  N    6.883078   7.343356   6.542871   7.741974   5.590228
    17  H    7.211886   7.905389   6.706955   7.891780   5.661692
    18  C    7.146455   7.397189   6.841507   8.118924   6.259985
    19  H    6.505172   6.660079   6.333264   7.501318   5.748395
    20  H    8.175372   8.397205   7.916238   9.144626   7.206438
    21  H    7.205792   7.411542   6.765557   8.211217   6.609561
    22  C    6.700519   7.226204   6.558915   7.459248   5.021734
    23  H    7.633110   8.105423   7.566247   8.389027   5.917269
    24  H    5.857483   6.319938   5.841695   6.634914   4.268242
    25  H    6.734700   7.403761   6.557731   7.373468   4.795788
    26  C    3.911638   4.714622   2.922049   4.209604   4.002376
    27  O    4.026012   4.608398   2.944588   4.345846   4.789824
    28  N    4.760418   5.565530   3.836040   5.203033   4.299032
    29  H    3.524960   4.480803   2.732985   3.593366   3.348741
    30  C    5.259969   6.189597   4.546042   5.613343   4.058778
    31  H    6.278811   7.225630   5.536195   6.550720   5.050820
    32  H    5.488785   6.349862   4.863004   5.989953   4.078833
    33  H    4.754769   5.773977   4.192776   4.948721   3.321257
    34  C    5.741774   6.376782   4.751615   6.330818   5.502241
    35  H    6.650592   7.314402   5.630568   7.142583   6.394106
    36  H    5.488189   5.964447   4.451011   6.152081   5.708002
    37  H    6.133369   6.746254   5.238772   6.819368   5.612637
    38  C    5.527897   5.191604   5.202583   6.620717   6.301608
    39  O    5.104017   4.606385   5.022585   6.181693   6.014600
    40  N    5.245161   5.007545   4.679981   6.287694   6.199648
    41  H    6.471117   6.211067   6.123201   7.570349   6.958291
    42  C    4.286391   3.980283   3.669042   5.244454   5.715549
    43  H    3.498789   3.042648   3.115486   4.495080   5.088326
    44  H    4.970903   4.523463   4.375664   5.838265   6.660107
    45  H    4.059161   4.010797   3.215880   4.932008   5.345005
    46  C    6.231263   6.166765   5.492930   7.225091   6.920103
    47  H    7.008697   6.945604   6.341000   8.039992   7.463403
    48  H    5.905089   6.031678   5.064647   6.840598   6.364354
    49  H    6.805780   6.675520   6.012263   7.745915   7.735817
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795811   0.000000
    13  H    1.791288   1.798164   0.000000
    14  C    5.512530   5.294938   6.851501   0.000000
    15  O    6.189098   6.223918   7.686376   1.242905   0.000000
    16  N    5.442148   4.838867   6.552072   1.360910   2.316230
    17  H    5.212445   5.031123   6.494415   1.108196   2.057442
    18  C    6.206908   5.571790   7.285463   2.469509   2.865265
    19  H    5.851966   5.072154   6.767558   3.267135   3.772105
    20  H    7.211307   6.439380   8.196837   3.084785   3.429350
    21  H    6.418760   6.068259   7.680597   2.573786   2.476605
    22  C    5.088931   4.085022   5.853973   2.466106   3.636232
    23  H    6.087775   4.913969   6.683777   3.174126   4.277608
    24  H    4.507972   3.321017   5.119149   3.195989   4.279982
    25  H    4.762058   3.866175   5.521880   2.550298   3.792232
    26  C    2.960943   4.601537   4.599626   5.651332   5.752061
    27  O    3.858154   5.483748   5.388456   6.419130   6.347556
    28  N    3.263537   4.589764   5.023659   4.471977   4.538699
    29  H    2.300317   4.066600   3.744479   6.079993   6.377711
    30  C    3.089153   4.114289   4.677213   4.039424   4.409303
    31  H    4.078632   5.086704   5.558567   4.441002   4.697059
    32  H    3.296907   3.858741   4.828506   2.997815   3.529336
    33  H    2.361763   3.480532   3.763338   4.751511   5.298103
    34  C    4.548043   5.675752   6.337253   4.147292   3.815516
    35  H    5.380752   6.594137   7.145677   4.790544   4.330195
    36  H    4.817500   5.976279   6.588259   4.690973   4.254502
    37  H    4.766952   5.573773   6.522305   3.107472   2.718806
    38  C    6.256543   6.254330   7.336938   5.704798   5.582697
    39  O    6.169499   5.987782   6.975467   6.375021   6.453691
    40  N    5.935843   6.316996   7.229035   5.646555   5.359328
    41  H    6.899778   6.765999   8.025482   5.384306   5.172482
    42  C    5.410546   6.081587   6.642166   6.416306   6.226324
    43  H    4.964610   5.485387   5.967018   6.638005   6.646581
    44  H    6.347570   7.100000   7.527269   7.415394   7.125894
    45  H    4.849529   5.782269   6.252935   6.050842   5.836861
    46  C    6.474181   6.982326   7.974023   5.206862   4.622107
    47  H    7.081424   7.374382   8.549047   4.943715   4.283052
    48  H    5.790731   6.437637   7.405690   4.526068   3.933874
    49  H    7.233206   7.897864   8.753338   6.164027   5.466955
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056667   0.000000
    18  C    1.464905   3.417471   0.000000
    19  H    2.099238   4.089750   1.101664   0.000000
    20  H    2.121393   3.988594   1.102857   1.791008   0.000000
    21  H    2.102250   3.652890   1.097460   1.797785   1.796988
    22  C    1.463204   2.560273   2.490777   2.616934   2.925903
    23  H    2.115551   3.301583   2.800384   2.948436   2.814682
    24  H    2.106615   3.351203   2.729161   2.395659   3.322044
    25  H    2.104890   2.154732   3.417857   3.633807   3.885474
    26  C    6.142917   5.475100   6.806867   6.762039   7.882526
    27  O    6.883167   6.401491   7.341438   7.251142   8.430351
    28  N    5.147701   4.249233   5.939322   6.080353   6.967773
    29  H    6.461952   5.766556   7.230412   7.100736   8.295448
    30  C    4.742204   3.483624   5.828291   6.036054   6.772430
    31  H    5.348244   3.748673   6.513493   6.855418   7.384908
    32  H    3.675362   2.428310   4.836733   5.109196   5.738089
    33  H    5.236755   4.134782   6.340705   6.396783   7.291383
    34  C    5.009818   4.169351   5.620136   5.936255   6.597992
    35  H    5.817855   4.708120   6.487033   6.904705   7.402492
    36  H    5.387435   4.918005   5.734599   5.943884   6.740971
    37  H    4.058188   3.228707   4.700154   5.147710   5.623803
    38  C    5.187059   6.552022   4.291285   3.738795   5.058520
    39  O    5.671493   7.140716   4.811850   4.016722   5.545053
    40  N    5.439971   6.419202   4.795766   4.455373   5.683974
    41  H    4.837023   6.344447   3.728401   3.317264   4.339928
    42  C    6.282226   7.011639   5.876265   5.456088   6.852471
    43  H    6.328995   7.172949   5.950242   5.355023   6.929278
    44  H    7.318540   8.034142   6.836501   6.427586   7.769250
    45  H    6.118308   6.527513   5.950257   5.664478   6.987326
    46  C    5.298509   6.027128   4.718631   4.716921   5.554586
    47  H    4.962774   5.891460   4.176415   4.289053   4.862617
    48  H    4.828731   5.231842   4.549545   4.672440   5.472760
    49  H    6.354206   6.955070   5.778782   5.801694   6.570836
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391413   0.000000
    23  H    3.832052   1.102419   0.000000
    24  H    3.609944   1.102547   1.789689   0.000000
    25  H    4.178848   1.098927   1.797668   1.795207   0.000000
    26  C    6.546636   6.459017   7.561077   6.197003   6.154063
    27  O    6.941280   7.335581   8.432938   7.016803   7.157013
    28  N    5.674420   5.584446   6.673304   5.526588   5.228856
    29  H    7.123467   6.531241   7.615614   6.191781   6.128612
    30  C    5.792046   4.915081   5.959576   4.990366   4.316186
    31  H    6.441218   5.569478   6.549190   5.806704   4.860584
    32  H    4.887969   3.868428   4.901674   4.053060   3.294813
    33  H    6.435602   5.124291   6.152075   5.041191   4.461603
    34  C    5.117789   5.804768   6.843106   5.896436   5.599352
    35  H    5.944337   6.640327   7.646899   6.836729   6.341579
    36  H    5.108121   6.262121   7.296027   6.227541   6.219541
    37  H    4.208742   4.977007   5.964398   5.204120   4.827325
    38  C    3.799464   5.929619   6.568274   5.401435   6.680405
    39  O    4.570989   6.140066   6.728617   5.423026   6.911702
    40  N    4.129939   6.300822   7.088380   5.861750   6.884187
    41  H    3.144973   5.725049   6.243479   5.348224   6.564037
    42  C    5.320226   6.963525   7.852230   6.410505   7.400640
    43  H    5.580212   6.794882   7.661349   6.094685   7.243921
    44  H    6.208491   8.045905   8.917400   7.496490   8.495173
    45  H    5.382042   6.812016   7.784292   6.344538   7.098958
    46  C    3.816111   6.412754   7.202534   6.217981   6.929258
    47  H    3.183141   6.184392   6.849465   6.093415   6.806257
    48  H    3.688842   5.941046   6.819194   5.828960   6.308742
    49  H    4.831354   7.494334   8.290364   7.309247   7.975793
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242609   0.000000
    28  N    1.361014   2.314988   0.000000
    29  H    1.107888   2.057535   2.057092   0.000000
    30  C    2.466310   3.635063   1.463453   2.562476   0.000000
    31  H    3.131909   4.222997   2.117293   3.253666   1.103028
    32  H    3.235660   4.328015   2.108249   3.398953   1.101874
    33  H    2.555405   3.797715   2.103576   2.164479   1.098642
    34  C    2.462376   2.850820   1.465158   3.413404   2.497515
    35  H    3.021019   3.317059   2.123855   3.939969   2.955852
    36  H    2.586854   2.504003   2.100775   3.659995   3.388824
    37  H    3.294003   3.810415   2.098266   4.116260   2.613117
    38  C    6.230555   6.045966   6.119158   6.818632   6.889456
    39  O    6.602881   6.447307   6.649840   7.022907   7.341172
    40  N    5.321002   4.974719   5.277695   6.046277   6.261153
    41  H    6.856923   6.758568   6.543538   7.492526   7.210188
    42  C    4.638724   4.080619   4.963574   5.297449   6.097907
    43  H    4.767726   4.336948   5.210941   5.215614   6.205845
    44  H    5.344760   4.578281   5.782186   6.033429   7.014178
    45  H    3.633388   3.026775   3.995361   4.386474   5.231489
    46  C    5.354094   5.018927   5.056783   6.251140   6.075123
    47  H    6.177720   5.975400   5.701227   7.050047   6.549379
    48  H    4.458349   4.240443   4.032601   5.399121   5.056495
    49  H    5.775301   5.229907   5.598300   6.738859   6.755232
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787631   0.000000
    33  H    1.798877   1.793959   0.000000
    34  C    2.818414   2.731959   3.420523   0.000000
    35  H    2.863880   3.349757   3.911064   1.103452   0.000000
    36  H    3.848214   3.596974   4.169363   1.097485   1.796120
    37  H    2.946773   2.391775   3.628811   1.099508   1.790903
    38  C    7.816443   6.436803   7.260701   5.776501   6.758287
    39  O    8.347367   6.909590   7.540074   6.550541   7.586097
    40  N    7.126721   5.973845   6.710168   4.816802   5.731864
    41  H    8.070800   6.628983   7.684291   6.039942   6.975879
    42  C    6.995525   6.048889   6.394280   4.762158   5.654252
    43  H    7.192679   6.142228   6.327115   5.289778   6.256628
    44  H    7.860540   7.041091   7.318778   5.495844   6.275071
    45  H    6.074223   5.312415   5.566849   3.811344   4.664112
    46  C    6.773702   5.773295   6.736692   4.215849   4.973325
    47  H    7.210396   6.084872   7.265367   4.784255   5.512792
    48  H    5.704517   4.802942   5.781909   3.120281   3.891061
    49  H    7.380660   6.576762   7.437789   4.658994   5.253895
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795825   0.000000
    38  C    5.111256   5.513351   0.000000
    39  O    5.925227   6.344503   1.243019   0.000000
    40  N    4.005457   4.732739   1.361044   2.314857   0.000000
    41  H    5.458198   5.598506   1.108604   2.058344   2.058285
    42  C    3.863756   4.990399   2.469780   2.862290   1.465530
    43  H    4.520396   5.498791   2.574116   2.470568   2.104668
    44  H    4.497830   5.816692   3.090662   3.437386   2.121473
    45  H    2.895135   4.197979   3.262826   3.761286   2.099195
    46  C    3.398134   4.043757   2.467142   3.634723   1.463239
    47  H    4.128135   4.375205   2.554963   3.797083   2.106070
    48  H    2.357998   2.965125   3.152753   4.227430   2.108200
    49  H    3.712112   4.656348   3.215671   4.320105   2.112030
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419098   0.000000
    43  H    3.654459   1.097809   0.000000
    44  H    3.994941   1.102523   1.796943   0.000000
    45  H    4.087667   1.100603   1.795821   1.789871   0.000000
    46  C    2.565054   2.488300   3.384258   2.944096   2.597597
    47  H    2.162843   3.418338   4.184239   3.878983   3.636944
    48  H    3.297626   2.758276   3.606282   3.394483   2.424367
    49  H    3.362802   2.761009   3.803368   2.806306   2.854434
                   46         47         48         49
    46  C    0.000000
    47  H    1.098599   0.000000
    48  H    1.103413   1.795803   0.000000
    49  H    1.101889   1.796595   1.790966   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2145724      0.1949003      0.1844019
 Leave Link  202 at Mon Nov 14 04:38:13 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.2403306127 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843665336 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0559640791 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4034
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.11D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     214
 GePol: Fraction of low-weight points (<1% of avg)   =       5.30%
 GePol: Cavity surface area                          =    468.331 Ang**2
 GePol: Cavity volume                                =    458.476 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040326084 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.0519314707 Hartrees.
 Leave Link  301 at Mon Nov 14 04:38:13 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37497.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:38:14 2016, MaxMem=  2952790016 cpu:        13.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:38:14 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000726   -0.000474   -0.000210
         Rot=    1.000000    0.000032    0.000006    0.000021 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:38:15 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48819468.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.66D-15 for   3628.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.16D-15 for   2080   1131.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.99D-15 for   3628.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.74D-11 for   1681   1680.
 E= -1013.45141188363    
 DIIS: error= 5.25D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141188363     IErMin= 1 ErrMin= 5.25D-05
 ErrMax= 5.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-06 BMatP= 3.53D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=9.71D-06 MaxDP=2.71D-04              OVMax= 4.20D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.71D-06    CP:  1.00D+00
 E= -1013.45141734919     Delta-E=       -0.000005465562 Rises=F Damp=F
 DIIS: error= 7.79D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141734919     IErMin= 2 ErrMin= 7.79D-06
 ErrMax= 7.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-08 BMatP= 3.53D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.214D-01 0.979D+00
 Coeff:      0.214D-01 0.979D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.21D-06 MaxDP=1.67D-04 DE=-5.47D-06 OVMax= 1.63D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.17D-06    CP:  1.00D+00  9.59D-01
 E= -1013.45141710494     Delta-E=        0.000000244248 Rises=F Damp=F
 DIIS: error= 2.13D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141734919     IErMin= 2 ErrMin= 7.79D-06
 ErrMax= 2.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.61D-07 BMatP= 6.31D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.200D-02 0.716D+00 0.282D+00
 Coeff:      0.200D-02 0.716D+00 0.282D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.65D-06 MaxDP=1.36D-04 DE= 2.44D-07 OVMax= 1.51D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.32D-07    CP:  1.00D+00  9.71D-01  3.01D-01
 E= -1013.45141739811     Delta-E=       -0.000000293169 Rises=F Damp=F
 DIIS: error= 3.67D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141739811     IErMin= 4 ErrMin= 3.67D-06
 ErrMax= 3.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.82D-09 BMatP= 6.31D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.674D-04 0.256D+00 0.159D+00 0.585D+00
 Coeff:     -0.674D-04 0.256D+00 0.159D+00 0.585D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.97D-07 MaxDP=2.08D-05 DE=-2.93D-07 OVMax= 2.66D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.53D-07    CP:  1.00D+00  9.76D-01  3.35D-01  6.22D-01
 E= -1013.45141740446     Delta-E=       -0.000000006353 Rises=F Damp=F
 DIIS: error= 1.65D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141740446     IErMin= 5 ErrMin= 1.65D-06
 ErrMax= 1.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.32D-10 BMatP= 7.82D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-04 0.141D+00 0.933D-01 0.383D+00 0.383D+00
 Coeff:     -0.146D-04 0.141D+00 0.933D-01 0.383D+00 0.383D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.05D-08 MaxDP=7.21D-06 DE=-6.35D-09 OVMax= 5.82D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.85D-08    CP:  1.00D+00  9.76D-01  3.33D-01  6.37D-01  6.74D-01
 E= -1013.45141740511     Delta-E=       -0.000000000646 Rises=F Damp=F
 DIIS: error= 1.55D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141740511     IErMin= 6 ErrMin= 1.55D-07
 ErrMax= 1.55D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-11 BMatP= 8.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.211D-04 0.370D-01 0.254D-01 0.110D+00 0.156D+00 0.671D+00
 Coeff:     -0.211D-04 0.370D-01 0.254D-01 0.110D+00 0.156D+00 0.671D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.35D-08 MaxDP=7.85D-07 DE=-6.46D-10 OVMax= 6.96D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.17D-08    CP:  1.00D+00  9.76D-01  3.34D-01  6.43D-01  6.74D-01
                    CP:  8.90D-01
 E= -1013.45141740507     Delta-E=        0.000000000043 Rises=F Damp=F
 DIIS: error= 4.85D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -1013.45141740511     IErMin= 7 ErrMin= 4.85D-08
 ErrMax= 4.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-12 BMatP= 1.19D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-04 0.965D-02 0.696D-02 0.318D-01 0.579D-01 0.386D+00
 Coeff-Com:  0.507D+00
 Coeff:     -0.133D-04 0.965D-02 0.696D-02 0.318D-01 0.579D-01 0.386D+00
 Coeff:      0.507D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.91D-09 MaxDP=1.92D-07 DE= 4.27D-11 OVMax= 2.46D-07

 Error on total polarization charges =  0.04317
 SCF Done:  E(RB97D) =  -1013.45141741     A.U. after    7 cycles
            NFock=  7  Conv=0.49D-08     -V/T= 2.0213
 KE= 9.923505449112D+02 PE=-6.029646089906D+03 EE= 2.174792196119D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:39:44 2016, MaxMem=  2952790016 cpu:      1010.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37497.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     363
 Leave Link  701 at Mon Nov 14 04:39:53 2016, MaxMem=  2952790016 cpu:        96.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:39:53 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:40:30 2016, MaxMem=  2952790016 cpu:       440.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24364737D+00-2.53792789D+00 3.31948624D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000045635   -0.000053003   -0.000104744
      2        6           0.000042608    0.000025789    0.000019235
      3        8           0.000018719    0.000032030   -0.000018040
      4        7           0.000015122    0.000015065    0.000008441
      5        1           0.000011713    0.000018354    0.000025363
      6        6           0.000026860    0.000036430    0.000047623
      7        1           0.000009735    0.000016492    0.000031990
      8        1          -0.000021523    0.000029692    0.000008848
      9        1           0.000008044    0.000011516    0.000033919
     10        6           0.000032106    0.000023047    0.000004320
     11        1           0.000007197    0.000030845    0.000021941
     12        1           0.000012327    0.000027581    0.000007461
     13        1           0.000023286    0.000027462    0.000021645
     14        6           0.000013312   -0.000001921    0.000007516
     15        8          -0.000008723   -0.000012860   -0.000024516
     16        7           0.000000096   -0.000018898   -0.000009137
     17        1           0.000003055    0.000006946   -0.000030114
     18        6          -0.000027117    0.000010637   -0.000009681
     19        1           0.000006033    0.000010517   -0.000035512
     20        1           0.000004796   -0.000003307   -0.000048057
     21        1           0.000005829   -0.000004305   -0.000038724
     22        6           0.000018927    0.000023713   -0.000055620
     23        1           0.000019550    0.000006425   -0.000032526
     24        1           0.000014017    0.000005631   -0.000015290
     25        1           0.000014911    0.000012854   -0.000025973
     26        6           0.000018351    0.000000727    0.000022986
     27        8          -0.000040977    0.000001801    0.000030408
     28        7           0.000024301    0.000001628    0.000025266
     29        1          -0.000006968    0.000002264    0.000024756
     30        6          -0.000011276   -0.000025892    0.000000354
     31        1           0.000002359    0.000014268    0.000016620
     32        1           0.000004684    0.000006627    0.000015669
     33        1           0.000008728    0.000009407    0.000013727
     34        6           0.000001840   -0.000035030    0.000015366
     35        1          -0.000019040   -0.000020010    0.000005200
     36        1          -0.000027096   -0.000017747    0.000001288
     37        1          -0.000016368   -0.000012783   -0.000002309
     38        6          -0.000039571    0.000008435   -0.000035676
     39        8           0.000005429   -0.000011830    0.000008096
     40        7           0.000021058   -0.000017346    0.000031684
     41        1          -0.000003029   -0.000021054   -0.000019321
     42        6           0.000048197    0.000009540   -0.000016510
     43        1          -0.000010831    0.000004979    0.000018387
     44        1          -0.000064953   -0.000042446    0.000047035
     45        1           0.000001443   -0.000014797    0.000020426
     46        6          -0.000033592   -0.000019199   -0.000006869
     47        1          -0.000020600   -0.000023878   -0.000012287
     48        1          -0.000022054   -0.000042008    0.000001503
     49        1          -0.000025284   -0.000032387    0.000003832
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000104744 RMS     0.000024405
 Leave Link  716 at Mon Nov 14 04:40:30 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000021763 RMS     0.000003593
 Search for a local minimum.
 Step number 103 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .35929D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
                                                    101  102  103
 DE= -1.76D-07 DEPred=-9.25D-08 R= 1.91D+00
 Trust test= 1.91D+00 RLast= 2.19D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1
 ITU=  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1
 ITU= -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1
 ITU=  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00005   0.00011   0.00051   0.00094   0.00103
     Eigenvalues ---    0.00117   0.00158   0.00191   0.00206   0.00236
     Eigenvalues ---    0.00249   0.00292   0.00380   0.00429   0.00461
     Eigenvalues ---    0.00586   0.00716   0.00723   0.00803   0.00822
     Eigenvalues ---    0.00853   0.00936   0.01041   0.01099   0.01153
     Eigenvalues ---    0.01205   0.01231   0.01289   0.01324   0.01531
     Eigenvalues ---    0.01552   0.01643   0.01730   0.01747   0.01809
     Eigenvalues ---    0.01825   0.01872   0.01912   0.01955   0.02055
     Eigenvalues ---    0.02213   0.02253   0.02381   0.02430   0.02497
     Eigenvalues ---    0.02555   0.02922   0.03089   0.03209   0.03537
     Eigenvalues ---    0.03954   0.04355   0.04529   0.05174   0.05643
     Eigenvalues ---    0.05811   0.05936   0.06149   0.06267   0.06359
     Eigenvalues ---    0.06562   0.06832   0.06924   0.07472   0.07498
     Eigenvalues ---    0.07545   0.07913   0.08040   0.08154   0.08218
     Eigenvalues ---    0.08387   0.08595   0.08875   0.08936   0.09309
     Eigenvalues ---    0.09452   0.09537   0.09728   0.09805   0.09954
     Eigenvalues ---    0.10092   0.10443   0.10658   0.10707   0.10840
     Eigenvalues ---    0.11253   0.11336   0.11526   0.12312   0.13241
     Eigenvalues ---    0.13386   0.14342   0.14983   0.15142   0.15287
     Eigenvalues ---    0.15478   0.16736   0.20643   0.22515   0.23426
     Eigenvalues ---    0.23615   0.24700   0.25291   0.26108   0.26274
     Eigenvalues ---    0.26917   0.27243   0.28639   0.29240   0.29745
     Eigenvalues ---    0.29761   0.30672   0.32807   0.32825   0.32838
     Eigenvalues ---    0.32931   0.33299   0.33354   0.33362   0.33391
     Eigenvalues ---    0.33395   0.33421   0.33522   0.33664   0.33699
     Eigenvalues ---    0.33799   0.33822   0.33839   0.33926   0.33970
     Eigenvalues ---    0.34040   0.34206   0.34263   0.37217   0.39487
     Eigenvalues ---    0.40794   0.41308   0.85945   0.86266   0.86532
     Eigenvalues ---    0.89461
 Eigenvalue     1 is   4.76D-05 Eigenvector:
                         D399      D381      D383      D385      D397
   1                   -0.22617  -0.22319  -0.20616  -0.20488  -0.20427
                         D387      D395      D405      D403      D407
   1                   -0.20119  -0.19394  -0.19353  -0.19291  -0.18975
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   103  102  101  100   99
 RFO step:  Lambda=-2.75009893D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  8.24D-08 SmlDif=  1.00D-05
 RMS Error=  0.2056133188D-04 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.61959    3.06380   -2.49938   -1.28562    1.10160
 Iteration  1 RMS(Cart)=  0.00120421 RMS(Int)=  0.00000326
 Iteration  2 RMS(Cart)=  0.00000107 RMS(Int)=  0.00000165
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000165
 ITry= 1 IFail=0 DXMaxC= 8.06D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59315   0.00000  -0.00092  -0.00033  -0.00125   6.59190
    R2        6.26117   0.00001  -0.00033  -0.00008  -0.00040   6.26077
    R3        7.24777   0.00000  -0.00129  -0.00059  -0.00188   7.24590
    R4        6.34189   0.00000  -0.00138  -0.00079  -0.00217   6.33972
    R5        6.52810   0.00001  -0.00002  -0.00003  -0.00004   6.52806
    R6        5.97336   0.00000  -0.00002  -0.00024  -0.00027   5.97309
    R7        6.70026  -0.00001  -0.00041  -0.00048  -0.00089   6.69937
    R8        6.22974   0.00000   0.00025  -0.00008   0.00017   6.22992
    R9        6.66446   0.00000   0.00108  -0.00001   0.00107   6.66553
   R10        6.06479   0.00000   0.00036  -0.00047  -0.00011   6.06468
   R11        6.95256   0.00000  -0.00009  -0.00031  -0.00039   6.95217
   R12        6.02732   0.00000  -0.00011  -0.00017  -0.00028   6.02704
   R13        6.88930  -0.00001   0.00078  -0.00020   0.00058   6.88988
   R14        6.19334   0.00001  -0.00037  -0.00008  -0.00046   6.19288
   R15        6.85629   0.00001  -0.00144  -0.00073  -0.00217   6.85412
   R16        5.94580   0.00000  -0.00102  -0.00051  -0.00153   5.94427
   R17        6.68748   0.00000   0.00035   0.00052   0.00087   6.68835
   R18        6.57567   0.00000  -0.00025  -0.00051  -0.00076   6.57491
   R19        6.22103   0.00000  -0.00001  -0.00013  -0.00015   6.22088
   R20        6.57583   0.00000   0.00008  -0.00009   0.00000   6.57583
   R21        6.05010   0.00000  -0.00071  -0.00022  -0.00093   6.04917
   R22        7.00814   0.00000   0.00020  -0.00002   0.00018   7.00831
   R23        6.02171   0.00000   0.00092   0.00049   0.00141   6.02311
   R24        2.34965   0.00000   0.00000  -0.00001  -0.00001   2.34964
   R25        2.57159  -0.00001   0.00005   0.00001   0.00006   2.57165
   R26        2.09470   0.00000  -0.00002   0.00000  -0.00002   2.09468
   R27        2.76509   0.00000  -0.00002   0.00000  -0.00001   2.76508
   R28        2.76827   0.00000  -0.00002  -0.00001  -0.00003   2.76825
   R29        2.07653   0.00000  -0.00001   0.00000   0.00000   2.07653
   R30        2.08263  -0.00002   0.00004   0.00001   0.00005   2.08268
   R31        2.08302  -0.00001   0.00002  -0.00001   0.00001   2.08303
   R32        2.08110   0.00000   0.00003   0.00001   0.00004   2.08114
   R33        2.07466   0.00000   0.00000   0.00000   0.00001   2.07467
   R34        2.08351   0.00000   0.00001  -0.00001   0.00000   2.08351
   R35        2.34875   0.00000   0.00002   0.00000   0.00002   2.34877
   R36        2.57175   0.00001  -0.00002   0.00000  -0.00003   2.57172
   R37        2.09419   0.00000   0.00001   0.00000   0.00001   2.09420
   R38        2.76827   0.00001  -0.00009   0.00000  -0.00009   2.76818
   R39        2.76505   0.00002  -0.00008   0.00000  -0.00008   2.76497
   R40        2.08184   0.00000  -0.00002   0.00001  -0.00001   2.08184
   R41        2.08410   0.00000   0.00001   0.00000   0.00001   2.08411
   R42        2.07390   0.00000  -0.00002  -0.00001  -0.00003   2.07387
   R43        2.08327   0.00000   0.00001   0.00000   0.00001   2.08328
   R44        2.08351   0.00000   0.00003   0.00002   0.00005   2.08356
   R45        2.07667   0.00000   0.00000   0.00000   0.00001   2.07668
   R46        2.34819   0.00001  -0.00002  -0.00001  -0.00003   2.34816
   R47        2.57194   0.00000   0.00004  -0.00001   0.00004   2.57198
   R48        2.09360   0.00000   0.00000   0.00000   0.00000   2.09360
   R49        2.76553   0.00000  -0.00001   0.00003   0.00002   2.76555
   R50        2.76875   0.00000  -0.00002   0.00000  -0.00002   2.76872
   R51        2.08442   0.00000   0.00000   0.00000   0.00000   2.08442
   R52        2.08224   0.00000   0.00001   0.00000   0.00002   2.08226
   R53        2.07613   0.00000   0.00001   0.00001   0.00003   2.07616
   R54        2.08522   0.00000   0.00001   0.00000   0.00001   2.08523
   R55        2.07395   0.00000   0.00000   0.00001   0.00000   2.07395
   R56        2.07777   0.00000   0.00001  -0.00001   0.00000   2.07777
   R57        2.34897  -0.00002   0.00003   0.00000   0.00003   2.34900
   R58        2.57200   0.00002  -0.00008   0.00002  -0.00006   2.57194
   R59        2.09496   0.00000   0.00000   0.00000  -0.00001   2.09495
   R60        2.76945   0.00000   0.00004  -0.00002   0.00002   2.76947
   R61        2.76512  -0.00001  -0.00006  -0.00002  -0.00008   2.76504
   R62        2.07456   0.00000  -0.00002  -0.00001  -0.00003   2.07453
   R63        2.08347   0.00000  -0.00003   0.00001  -0.00002   2.08344
   R64        2.07984   0.00001   0.00000   0.00002   0.00003   2.07986
   R65        2.07605   0.00000  -0.00001   0.00000  -0.00001   2.07604
   R66        2.08515   0.00000  -0.00004  -0.00001  -0.00004   2.08510
   R67        2.08227   0.00000   0.00003   0.00000   0.00003   2.08230
    A1        0.68073   0.00000   0.00013   0.00005   0.00018   0.68091
    A2        0.95777  -0.00001   0.00020   0.00007   0.00026   0.95803
    A3        0.72732   0.00000   0.00005   0.00002   0.00008   0.72739
    A4        1.01941   0.00000   0.00009   0.00004   0.00013   1.01953
    A5        2.35052   0.00001   0.00080   0.00055   0.00134   2.35186
    A6        2.02827   0.00001   0.00041   0.00025   0.00065   2.02891
    A7        1.97766   0.00000  -0.00030  -0.00027  -0.00057   1.97710
    A8        1.68427   0.00000  -0.00035  -0.00036  -0.00072   1.68355
    A9        1.65997   0.00000   0.00065   0.00041   0.00106   1.66104
   A10        1.37784   0.00000   0.00058   0.00034   0.00093   1.37877
   A11        1.73434   0.00000   0.00014   0.00012   0.00026   1.73460
   A12        2.03965   0.00000   0.00028   0.00025   0.00053   2.04018
   A13        1.94615   0.00000   0.00049   0.00041   0.00089   1.94704
   A14        2.03623   0.00000   0.00082   0.00064   0.00146   2.03770
   A15        2.43300   0.00000   0.00010   0.00012   0.00021   2.43321
   A16        1.58509   0.00000  -0.00058  -0.00034  -0.00092   1.58417
   A17        1.78579   0.00000  -0.00060  -0.00028  -0.00087   1.78492
   A18        1.56525   0.00000  -0.00051  -0.00018  -0.00069   1.56457
   A19        1.70643   0.00000  -0.00043  -0.00009  -0.00052   1.70592
   A20        2.18934   0.00000  -0.00062  -0.00027  -0.00089   2.18844
   A21        2.40901   0.00000  -0.00075  -0.00031  -0.00106   2.40795
   A22        0.64339   0.00000   0.00009   0.00005   0.00014   0.64353
   A23        0.65949   0.00000   0.00005   0.00003   0.00008   0.65956
   A24        2.40705   0.00000   0.00127   0.00089   0.00216   2.40920
   A25        2.22995   0.00000   0.00077   0.00049   0.00126   2.23121
   A26        2.32218   0.00000  -0.00004  -0.00010  -0.00014   2.32203
   A27        2.05655   0.00000  -0.00022  -0.00029  -0.00050   2.05605
   A28        1.82236   0.00000   0.00080   0.00050   0.00130   1.82366
   A29        1.58052   0.00000   0.00065   0.00037   0.00102   1.58153
   A30        1.34068   0.00000   0.00008   0.00009   0.00017   1.34085
   A31        1.64092   0.00000   0.00021   0.00023   0.00044   1.64136
   A32        1.59316   0.00000   0.00042   0.00041   0.00083   1.59399
   A33        1.74807   0.00000   0.00075   0.00066   0.00141   1.74948
   A34        2.03642   0.00000   0.00007   0.00011   0.00018   2.03661
   A35        1.85035   0.00000  -0.00036  -0.00021  -0.00056   1.84979
   A36        1.91943   0.00000  -0.00033  -0.00011  -0.00044   1.91899
   A37        1.57207   0.00000  -0.00027  -0.00004  -0.00031   1.57176
   A38        1.59179   0.00000  -0.00020   0.00005  -0.00016   1.59164
   A39        2.27534   0.00000  -0.00033  -0.00006  -0.00039   2.27495
   A40        2.37028   0.00000  -0.00048  -0.00012  -0.00060   2.36968
   A41        0.68932   0.00000   0.00009   0.00005   0.00014   0.68945
   A42        0.74685   0.00000   0.00012   0.00008   0.00020   0.74705
   A43        2.67333   0.00000   0.00138   0.00099   0.00237   2.67570
   A44        2.61009   0.00000   0.00093   0.00059   0.00152   2.61160
   A45        2.65596   0.00000  -0.00023  -0.00028  -0.00052   2.65545
   A46        2.35046   0.00000  -0.00031  -0.00038  -0.00069   2.34977
   A47        2.20186   0.00000   0.00091   0.00056   0.00147   2.20334
   A48        1.96635   0.00000   0.00074   0.00042   0.00116   1.96751
   A49        1.09939   0.00000   0.00003   0.00012   0.00015   1.09955
   A50        1.45961   0.00000   0.00008   0.00021   0.00029   1.45990
   A51        1.56338   0.00000   0.00035   0.00042   0.00077   1.56415
   A52        1.80143   0.00000   0.00064   0.00063   0.00127   1.80269
   A53        1.78365   0.00000  -0.00015   0.00002  -0.00013   1.78352
   A54        1.71135   0.00000  -0.00014  -0.00008  -0.00021   1.71114
   A55        1.64866   0.00000  -0.00020  -0.00004  -0.00023   1.64843
   A56        1.24886   0.00000  -0.00020  -0.00002  -0.00022   1.24864
   A57        1.21810   0.00000  -0.00023   0.00003  -0.00020   1.21790
   A58        1.94375   0.00000  -0.00026  -0.00001  -0.00027   1.94348
   A59        1.99255   0.00000  -0.00052  -0.00014  -0.00065   1.99190
   A60        0.83985   0.00000  -0.00001   0.00002   0.00001   0.83986
   A61        0.77591   0.00000  -0.00002   0.00004   0.00003   0.77593
   A62        2.61026   0.00000   0.00082   0.00070   0.00152   2.61178
   A63        2.77779   0.00000   0.00094   0.00070   0.00164   2.77943
   A64        2.60811  -0.00001  -0.00026  -0.00040  -0.00066   2.60745
   A65        2.40068   0.00000   0.00081   0.00054   0.00135   2.40203
   A66        2.20528   0.00000   0.00068   0.00040   0.00108   2.20636
   A67        0.85729   0.00000  -0.00011   0.00011   0.00000   0.85729
   A68        1.23308   0.00000  -0.00012   0.00016   0.00004   1.23311
   A69        1.41578   0.00000   0.00009   0.00035   0.00044   1.41622
   A70        1.68881   0.00000   0.00031   0.00049   0.00080   1.68961
   A71        1.51990   0.00000  -0.00030  -0.00003  -0.00033   1.51958
   A72        1.72971   0.00000   0.00025   0.00010   0.00036   1.73007
   A73        1.56184   0.00000   0.00016   0.00011   0.00028   1.56212
   A74        1.13263   0.00000   0.00015   0.00012   0.00026   1.13289
   A75        1.02413   0.00000   0.00003   0.00013   0.00016   1.02429
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   A305       2.13025   0.00000  -0.00005   0.00002  -0.00002   2.13022
   A306       1.96359   0.00000   0.00002   0.00002   0.00003   1.96362
   A307       2.12505  -0.00001   0.00007   0.00000   0.00006   2.12511
   A308       2.12415   0.00000   0.00009   0.00003   0.00012   2.12427
   A309       2.03048   0.00001  -0.00016  -0.00003  -0.00019   2.03028
   A310       1.30036   0.00000   0.00034   0.00006   0.00040   1.30076
   A311       3.04961   0.00001  -0.00061  -0.00008  -0.00069   3.04892
   A312       1.91198   0.00000  -0.00003   0.00001  -0.00002   1.91196
   A313       1.93044   0.00000  -0.00005   0.00002  -0.00003   1.93040
   A314       1.90151   0.00000  -0.00013  -0.00005  -0.00018   1.90133
   A315       1.91123  -0.00001   0.00026   0.00001   0.00027   1.91150
   A316       1.91193   0.00000   0.00007   0.00002   0.00009   1.91202
   A317       1.89659   0.00000  -0.00013  -0.00001  -0.00013   1.89646
   A318       1.78056   0.00000  -0.00046  -0.00047  -0.00092   1.77964
   A319       1.91587   0.00001   0.00008   0.00000   0.00008   1.91596
   A320       1.91377   0.00000  -0.00008  -0.00004  -0.00012   1.91365
   A321       1.92070   0.00000   0.00000   0.00003   0.00003   1.92073
   A322       1.90728   0.00000   0.00016   0.00001   0.00017   1.90745
   A323       1.91048   0.00000  -0.00010  -0.00001  -0.00011   1.91037
   A324       1.89555   0.00000  -0.00006   0.00000  -0.00006   1.89549
   A325       2.93544   0.00000  -0.00010  -0.00020  -0.00031   2.93513
   A326       3.36641   0.00000   0.00022   0.00032   0.00054   3.36695
   A327       3.08428   0.00000   0.00015   0.00026   0.00041   3.08469
   A328       3.19810   0.00000   0.00019   0.00016   0.00035   3.19845
   A329       3.27424   0.00000   0.00074   0.00032   0.00106   3.27529
   A330       3.26022   0.00000   0.00097   0.00028   0.00125   3.26148
   A331       3.69104   0.00000  -0.00056  -0.00048  -0.00104   3.69001
   A332       3.22620   0.00001   0.00070   0.00065   0.00135   3.22755
   A333       2.96840   0.00000  -0.00106  -0.00066  -0.00172   2.96668
   A334       2.90368   0.00000  -0.00078  -0.00047  -0.00125   2.90243
   A335       3.22915   0.00000  -0.00005   0.00004   0.00000   3.22915
   A336       3.07597   0.00000  -0.00001  -0.00010  -0.00011   3.07586
   A337       3.10462   0.00000  -0.00020   0.00002  -0.00018   3.10444
   A338       3.04663   0.00000   0.00022   0.00015   0.00037   3.04701
    D1        2.75816   0.00000   0.00002   0.00002   0.00004   2.75820
    D2       -1.36099   0.00000   0.00002  -0.00002   0.00000  -1.36099
    D3        2.78011   0.00000  -0.00020  -0.00005  -0.00025   2.77986
    D4       -1.33904   0.00000  -0.00021  -0.00008  -0.00029  -1.33933
    D5        1.66193   0.00000   0.00000  -0.00002  -0.00001   1.66192
    D6       -2.45722   0.00000   0.00000  -0.00005  -0.00005  -2.45727
    D7        1.84274   0.00000  -0.00009  -0.00007  -0.00016   1.84258
    D8       -2.27641   0.00000  -0.00010  -0.00010  -0.00020  -2.27661
    D9        0.30371   0.00000  -0.00158  -0.00115  -0.00274   0.30097
   D10        2.46774   0.00000  -0.00159  -0.00119  -0.00278   2.46497
   D11        0.02228   0.00000  -0.00106  -0.00077  -0.00183   0.02045
   D12        2.18632   0.00000  -0.00107  -0.00080  -0.00187   2.18445
   D13       -0.44609   0.00000  -0.00090  -0.00070  -0.00159  -0.44768
   D14        1.71795   0.00000  -0.00091  -0.00073  -0.00163   1.71631
   D15       -0.56492   0.00000  -0.00054  -0.00041  -0.00094  -0.56586
   D16        1.59912   0.00000  -0.00054  -0.00044  -0.00098   1.59814
   D17        0.20681   0.00000  -0.00051  -0.00033  -0.00085   0.20597
   D18        2.37085   0.00000  -0.00052  -0.00037  -0.00089   2.36996
   D19        0.14209   0.00000  -0.00023  -0.00015  -0.00038   0.14171
   D20        2.30613   0.00000  -0.00024  -0.00018  -0.00042   2.30571
   D21        2.39590   0.00000  -0.00004  -0.00018  -0.00022   2.39569
   D22       -1.72325   0.00000  -0.00004  -0.00022  -0.00026  -1.72350
   D23        2.15416   0.00000   0.00023  -0.00003   0.00020   2.15436
   D24       -1.96499   0.00000   0.00023  -0.00007   0.00016  -1.96483
   D25        1.71005   0.00000  -0.00001  -0.00020  -0.00020   1.70984
   D26       -2.40910   0.00000  -0.00001  -0.00023  -0.00024  -2.40935
   D27        1.40272   0.00000  -0.00009  -0.00024  -0.00033   1.40239
   D28       -2.71643   0.00000  -0.00009  -0.00028  -0.00037  -2.71680
   D29        2.36803   0.00000   0.00075   0.00031   0.00106   2.36909
   D30       -1.75112   0.00000   0.00074   0.00027   0.00102  -1.75010
   D31       -1.74779   0.00000   0.00050   0.00032   0.00082  -1.74697
   D32        0.41625   0.00000   0.00050   0.00028   0.00078   0.41703
   D33       -2.09785   0.00000   0.00052   0.00033   0.00085  -2.09700
   D34        0.06619   0.00000   0.00051   0.00029   0.00081   0.06700
   D35       -2.47311   0.00000   0.00049   0.00028   0.00077  -2.47235
   D36       -0.30907   0.00000   0.00048   0.00024   0.00073  -0.30835
   D37       -2.76159   0.00000   0.00055   0.00032   0.00087  -2.76072
   D38       -0.59755   0.00000   0.00054   0.00029   0.00083  -0.59672
   D39       -2.12321   0.00000   0.00052   0.00042   0.00094  -2.12227
   D40        0.04083   0.00000   0.00051   0.00038   0.00090   0.04172
   D41       -2.36579   0.00000   0.00040   0.00036   0.00076  -2.36504
   D42       -0.20176   0.00000   0.00040   0.00032   0.00072  -0.20104
   D43        1.26436   0.00000   0.00035   0.00009   0.00044   1.26480
   D44       -1.92835   0.00000  -0.00018  -0.00019  -0.00037  -1.92872
   D45        2.45837   0.00000   0.00027   0.00005   0.00032   2.45869
   D46       -0.73434   0.00000  -0.00027  -0.00023  -0.00050  -0.73484
   D47        2.94389   0.00000   0.00021   0.00001   0.00021   2.94410
   D48       -0.24882   0.00000  -0.00033  -0.00028  -0.00060  -0.24943
   D49        2.86904   0.00001   0.00099   0.00040   0.00139   2.87043
   D50       -0.32367   0.00001   0.00045   0.00011   0.00057  -0.32310
   D51        2.03785   0.00000  -0.00078  -0.00083  -0.00162   2.03623
   D52       -1.15486   0.00000  -0.00131  -0.00111  -0.00243  -1.15729
   D53        1.14085  -0.00001  -0.00144  -0.00128  -0.00271   1.13814
   D54       -2.05186  -0.00001  -0.00197  -0.00156  -0.00352  -2.05538
   D55        1.00944   0.00000  -0.00038  -0.00043  -0.00080   1.00864
   D56       -2.18327   0.00000  -0.00091  -0.00071  -0.00161  -2.18489
   D57        2.02116   0.00000   0.00017  -0.00006   0.00011   2.02127
   D58       -1.17156   0.00000  -0.00036  -0.00034  -0.00070  -1.17226
   D59        1.82717   0.00000   0.00034   0.00006   0.00040   1.82756
   D60       -1.36555   0.00000  -0.00020  -0.00022  -0.00042  -1.36596
   D61       -2.28053   0.00000   0.00030  -0.00010   0.00020  -2.28034
   D62        0.80994   0.00000  -0.00023  -0.00038  -0.00062   0.80932
   D63       -2.41218   0.00000   0.00062   0.00014   0.00076  -2.41143
   D64        0.67829   0.00000   0.00009  -0.00015  -0.00006   0.67823
   D65       -2.81489   0.00000   0.00059   0.00014   0.00073  -2.81416
   D66        0.27558   0.00000   0.00006  -0.00014  -0.00008   0.27550
   D67       -2.98955   0.00000   0.00083   0.00033   0.00116  -2.98838
   D68        0.10093   0.00000   0.00030   0.00005   0.00035   0.10127
   D69       -2.13322   0.00000   0.00085   0.00031   0.00116  -2.13206
   D70        0.95725   0.00000   0.00032   0.00003   0.00034   0.95759
   D71       -0.15407   0.00000   0.00107   0.00053   0.00161  -0.15246
   D72        2.93640   0.00000   0.00054   0.00025   0.00079   2.93720
   D73       -0.55258   0.00000   0.00109   0.00050   0.00159  -0.55099
   D74        2.53789   0.00000   0.00056   0.00022   0.00077   2.53866
   D75       -0.72075   0.00000   0.00109   0.00044   0.00153  -0.71922
   D76        2.36972   0.00000   0.00056   0.00016   0.00072   2.37044
   D77       -1.05892   0.00000   0.00109   0.00043   0.00152  -1.05740
   D78        2.03156   0.00000   0.00056   0.00015   0.00070   2.03226
   D79       -0.83722   0.00000   0.00107   0.00053   0.00160  -0.83562
   D80        2.25325   0.00000   0.00054   0.00025   0.00079   2.25404
   D81       -1.14057   0.00000   0.00104   0.00049   0.00153  -1.13904
   D82        1.94990   0.00000   0.00051   0.00020   0.00071   1.95061
   D83       -1.53283   0.00000   0.00002   0.00008   0.00010  -1.53272
   D84       -2.60910   0.00000  -0.00010   0.00005  -0.00005  -2.60915
   D85       -2.94807   0.00001  -0.00027   0.00001  -0.00026  -2.94834
   D86        0.73294   0.00000  -0.00019  -0.00010  -0.00029   0.73265
   D87        0.30781   0.00000  -0.00037  -0.00023  -0.00060   0.30721
   D88       -0.07303   0.00000  -0.00093  -0.00069  -0.00162  -0.07465
   D89       -0.40905   0.00000  -0.00068  -0.00051  -0.00119  -0.41025
   D90        0.18357   0.00000   0.00007   0.00012   0.00018   0.18376
   D91       -0.05375   0.00000   0.00024   0.00022   0.00045  -0.05329
   D92        2.39827   0.00000  -0.00007  -0.00013  -0.00020   2.39807
   D93        2.05216   0.00000   0.00014  -0.00001   0.00012   2.05229
   D94        1.65644   0.00000   0.00000  -0.00011  -0.00011   1.65633
   D95        1.37063   0.00000   0.00009  -0.00001   0.00008   1.37071
   D96        2.05853   0.00000   0.00042   0.00022   0.00064   2.05917
   D97       -1.88961   0.00000   0.00083   0.00061   0.00143  -1.88818
   D98       -2.42900   0.00000   0.00101   0.00066   0.00167  -2.42733
   D99       -2.64724   0.00000   0.00074   0.00045   0.00119  -2.64605
   D100      -2.97698   0.00000   0.00073   0.00040   0.00113  -2.97586
   D101      -2.89927   0.00000   0.00143   0.00091   0.00234  -2.89693
   D102       2.84798   0.00000   0.00139   0.00074   0.00214   2.85012
   D103      -2.88642   0.00000   0.00171   0.00129   0.00301  -2.88341
   D104       1.21131   0.00000   0.00183   0.00132   0.00316   1.21447
   D105       2.81976   0.00000   0.00108   0.00088   0.00196   2.82172
   D106       0.63430   0.00000   0.00119   0.00092   0.00211   0.63642
   D107       2.31127  -0.00001  -0.00004   0.00017   0.00013   2.31140
   D108       0.12582  -0.00001   0.00007   0.00021   0.00028   0.12609
   D109       1.74036   0.00000  -0.00108  -0.00064  -0.00173   1.73863
   D110      -0.44509   0.00000  -0.00097  -0.00061  -0.00158  -0.44668
   D111       2.59566   0.00000   0.00065   0.00055   0.00121   2.59687
   D112       0.41020   0.00000   0.00077   0.00059   0.00136   0.41156
   D113       2.25704   0.00000   0.00049   0.00043   0.00092   2.25796
   D114       0.07158   0.00000   0.00061   0.00047   0.00107   0.07265
   D115      -1.61200   0.00000  -0.00015  -0.00005  -0.00019  -1.61219
   D116       2.48573   0.00000  -0.00003  -0.00001  -0.00004   2.48569
   D117      -1.77015   0.00000   0.00005   0.00003   0.00008  -1.77008
   D118       2.32758   0.00000   0.00016   0.00006   0.00023   2.32780
   D119      -2.73551   0.00000   0.00002   0.00000   0.00002  -2.73549
   D120       1.36222   0.00000   0.00014   0.00003   0.00017   1.36239
   D121      -2.69556   0.00000   0.00014   0.00010   0.00024  -2.69533
   D122       1.40217   0.00000   0.00025   0.00014   0.00039   1.40255
   D123       1.33146   0.00000   0.00024   0.00033   0.00057   1.33204
   D124      -0.85399   0.00000   0.00036   0.00037   0.00072  -0.85327
   D125       1.30289   0.00000   0.00044   0.00045   0.00089   1.30378
   D126      -0.88256   0.00000   0.00055   0.00049   0.00104  -0.88153
   D127       1.66015   0.00000   0.00059   0.00055   0.00114   1.66130
   D128      -0.52530   0.00000   0.00071   0.00058   0.00129  -0.52401
   D129       1.78377   0.00000   0.00048   0.00044   0.00093   1.78470
   D130      -0.40168   0.00000   0.00060   0.00048   0.00108  -0.40061
   D131       0.90340   0.00000   0.00061   0.00057   0.00117   0.90457
   D132      -1.28206   0.00000   0.00072   0.00060   0.00132  -1.28074
   D133      -0.95412   0.00000  -0.00008   0.00007  -0.00002  -0.95413
   D134      -3.13957   0.00000   0.00003   0.00010   0.00013  -3.13944
   D135      -0.53011   0.00000  -0.00028  -0.00004  -0.00033  -0.53043
   D136      -2.71556   0.00000  -0.00017  -0.00001  -0.00018  -2.71574
   D137      -0.24490   0.00000  -0.00079  -0.00037  -0.00115  -0.24605
   D138      -2.43036   0.00000  -0.00067  -0.00033  -0.00100  -2.43136
   D139       0.15996   0.00000  -0.00092  -0.00051  -0.00143   0.15853
   D140      -2.02550   0.00000  -0.00080  -0.00048  -0.00128  -2.02677
   D141      -0.30837   0.00000  -0.00008   0.00004  -0.00004  -0.30841
   D142      -2.49382   0.00000   0.00004   0.00007   0.00011  -2.49371
   D143      -0.05543   0.00000   0.00018   0.00021   0.00040  -0.05504
   D144      -2.24089   0.00000   0.00030   0.00025   0.00055  -2.24034
   D145      -2.46403   0.00000   0.00139   0.00101   0.00239  -2.46163
   D146      -2.70880   0.00000   0.00179   0.00134   0.00313  -2.70567
   D147      -2.37950   0.00001   0.00261   0.00193   0.00454  -2.37496
   D148       3.01605   0.00000   0.00157   0.00119   0.00276   3.01881
   D149       2.63255   0.00000   0.00151   0.00119   0.00271   2.63525
   D150       1.51147   0.00000  -0.00025  -0.00017  -0.00041   1.51106
   D151       2.61349   0.00000  -0.00010  -0.00012  -0.00023   2.61327
   D152       2.99036   0.00000   0.00001  -0.00003  -0.00002   2.99034
   D153       1.18594   0.00000   0.00021   0.00033   0.00054   1.18648
   D154       1.24734   0.00000   0.00032   0.00035   0.00067   1.24801
   D155       1.64002   0.00000   0.00054   0.00045   0.00099   1.64101
   D156       1.71340   0.00000   0.00034   0.00026   0.00059   1.71399
   D157       0.89641   0.00000   0.00032   0.00034   0.00066   0.89707
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   D159      -0.66402   0.00000   0.00029   0.00035   0.00064  -0.66338
   D160      -0.70688   0.00000   0.00011   0.00025   0.00036  -0.70652
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   D164      -1.27183   0.00000   0.00158   0.00097   0.00255  -1.26927
   D165       1.67333   0.00000   0.00109   0.00083   0.00192   1.67525
   D166      -1.64276   0.00000   0.00154   0.00096   0.00250  -1.64026
   D167       1.30240   0.00000   0.00105   0.00081   0.00186   1.30426
   D168      -1.72058   0.00000   0.00157   0.00100   0.00257  -1.71801
   D169       1.22458   0.00000   0.00108   0.00086   0.00193   1.22652
   D170      -1.98229   0.00001   0.00112   0.00081   0.00193  -1.98036
   D171       0.96287   0.00001   0.00063   0.00067   0.00129   0.96417
   D172      -1.99326   0.00000   0.00148   0.00092   0.00241  -1.99085
   D173       0.95190   0.00000   0.00099   0.00078   0.00177   0.95367
   D174      -2.29629   0.00000   0.00142   0.00089   0.00231  -2.29398
   D175       0.64887   0.00000   0.00093   0.00074   0.00167   0.65054
   D176       1.97730   0.00000   0.00030   0.00000   0.00030   1.97761
   D177      -1.36072   0.00000  -0.00019  -0.00015  -0.00033  -1.36105
   D178       0.83205   0.00000   0.00030  -0.00002   0.00028   0.83233
   D179      -2.50598   0.00000  -0.00019  -0.00016  -0.00035  -2.50633
   D180       0.37009   0.00000   0.00041   0.00002   0.00043   0.37052
   D181      -2.96793   0.00000  -0.00009  -0.00012  -0.00021  -2.96814
   D182      -3.10172   0.00000   0.00088   0.00052   0.00140  -3.10032
   D183      -0.15656   0.00000   0.00038   0.00038   0.00076  -0.15580
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   D185      -0.42135   0.00000   0.00046   0.00039   0.00086  -0.42049
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   D187      -0.26701   0.00000   0.00063   0.00045   0.00108  -0.26593
   D188       2.97489   0.00000   0.00097   0.00043   0.00141   2.97629
   D189      -0.36314   0.00000   0.00048   0.00029   0.00077  -0.36237
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   D409       2.41323   0.00000   0.00013  -0.00010   0.00004   2.41327
   D410       2.64544   0.00000   0.00045   0.00011   0.00056   2.64600
   D411       2.87924  -0.00001   0.00072   0.00023   0.00096   2.88020
   D412       2.84211   0.00000  -0.00057  -0.00045  -0.00102   2.84108
   D413      -2.94124   0.00000  -0.00003  -0.00006  -0.00009  -2.94133
   D414      -0.74021   0.00000   0.00117   0.00066   0.00183  -0.73838
   D415      -0.36091   0.00000   0.00115   0.00064   0.00178  -0.35912
   D416      -0.04779   0.00000   0.00124   0.00078   0.00202  -0.04577
   D417       0.26014   0.00000   0.00117   0.00076   0.00192   0.26207
   D418      -0.23132   0.00000   0.00098   0.00045   0.00142  -0.22990
   D419       0.07642   0.00000   0.00077   0.00029   0.00106   0.07748
   D420      -2.55062   0.00000   0.00073   0.00044   0.00117  -2.54945
   D421      -2.16905   0.00000   0.00068   0.00045   0.00113  -2.16793
   D422      -1.91856   0.00000   0.00089   0.00069   0.00158  -1.91697
   D423      -1.60234   0.00000   0.00108   0.00081   0.00189  -1.60046
   D424      -1.96097   0.00000   0.00047   0.00021   0.00068  -1.96029
   D425       1.30920   0.00000   0.00034   0.00021   0.00055   1.30974
   D426       2.47433   0.00000   0.00042   0.00025   0.00067   2.47500
   D427       2.95052   0.00000   0.00041   0.00026   0.00068   2.95119
   D428      -3.07079  -0.00001   0.00067   0.00015   0.00082  -3.06997
   D429       0.02845  -0.00001  -0.00001  -0.00022  -0.00023   0.02822
   D430       0.04198  -0.00001   0.00069   0.00008   0.00076   0.04274
   D431       3.14122  -0.00001   0.00001  -0.00030  -0.00029   3.14093
   D432      -0.08260   0.00000  -0.00009  -0.00010  -0.00019  -0.08279
   D433       2.01698  -0.00001  -0.00001  -0.00013  -0.00013   2.01684
   D434      -2.17986   0.00000  -0.00010  -0.00010  -0.00020  -2.18006
   D435       3.09917   0.00000   0.00056   0.00025   0.00081   3.09998
   D436      -1.08444  -0.00001   0.00064   0.00023   0.00087  -1.08357
   D437       1.00191   0.00000   0.00055   0.00025   0.00080   1.00271
   D438      -2.36808   0.00000   0.00038   0.00028   0.00066  -2.36741
   D439      -0.27775   0.00000   0.00038   0.00028   0.00066  -0.27709
   D440       1.82958   0.00000   0.00039   0.00028   0.00067   1.83026
   D441       0.73328   0.00000  -0.00026  -0.00007  -0.00034   0.73294
   D442       2.82361   0.00000  -0.00026  -0.00008  -0.00034   2.82327
   D443      -1.35225   0.00000  -0.00025  -0.00008  -0.00033  -1.35257
   D444      -0.00149   0.00000  -0.00017   0.00010  -0.00007  -0.00156
   D445       3.11359   0.00000  -0.00023  -0.00020  -0.00043   3.11316
   D446      -3.12124   0.00001  -0.00013   0.00011  -0.00002  -3.12126
   D447      -0.00616   0.00000  -0.00020  -0.00019  -0.00038  -0.00654
   D448       2.41524   0.00000  -0.00072  -0.00050  -0.00121   2.41402
   D449      -1.78435   0.00000  -0.00082  -0.00054  -0.00136  -1.78571
   D450       0.32285   0.00000  -0.00089  -0.00055  -0.00144   0.32142
   D451      -0.70111   0.00000  -0.00066  -0.00022  -0.00088  -0.70199
   D452       1.38249   0.00000  -0.00076  -0.00026  -0.00102   1.38147
   D453      -2.79350   0.00001  -0.00083  -0.00027  -0.00110  -2.79459
   D454       2.05379   0.00000   0.00029   0.00004   0.00033   2.05412
   D455      -2.14539   0.00000   0.00014  -0.00002   0.00012  -2.14527
   D456      -0.05222   0.00000   0.00018   0.00001   0.00019  -0.05203
   D457      -1.11300  -0.00001   0.00023  -0.00024  -0.00001  -1.11301
   D458       0.97101   0.00000   0.00008  -0.00030  -0.00022   0.97079
   D459       3.06417   0.00000   0.00012  -0.00027  -0.00015   3.06402
   D460      -3.08111  -0.00002   0.00028   0.00017   0.00045  -3.08066
   D461      -0.02534  -0.00001  -0.00009   0.00028   0.00019  -0.02515
   D462       0.07314   0.00000   0.00026   0.00009   0.00035   0.07349
   D463       3.12891   0.00001  -0.00012   0.00020   0.00009   3.12899
   D464       1.92738   0.00000  -0.00112  -0.00027  -0.00139   1.92600
   D465      -2.27304   0.00001  -0.00099  -0.00028  -0.00127  -2.27430
   D466      -0.18025   0.00001  -0.00116  -0.00029  -0.00145  -0.18170
   D467      -1.13178   0.00000  -0.00075  -0.00037  -0.00112  -1.13290
   D468       0.95099   0.00000  -0.00062  -0.00038  -0.00100   0.94999
   D469       3.04378   0.00000  -0.00079  -0.00040  -0.00119   3.04259
   D470      -1.63241  -0.00001  -0.00031  -0.00018  -0.00049  -1.63290
   D471       0.47215   0.00000  -0.00031  -0.00013  -0.00044   0.47171
   D472       2.56305  -0.00001  -0.00023  -0.00020  -0.00043   2.56262
   D473       1.42714   0.00000  -0.00068  -0.00008  -0.00075   1.42639
   D474      -2.75148   0.00001  -0.00068  -0.00002  -0.00070  -2.75218
   D475      -0.66058   0.00000  -0.00060  -0.00009  -0.00069  -0.66127
   D476       0.00322   0.00000  -0.00005  -0.00005  -0.00010   0.00313
   D477      -3.04512   0.00000  -0.00008   0.00008   0.00000  -3.04512
   D478       3.11649  -0.00001  -0.00004  -0.00007  -0.00011   3.11638
   D479       0.06815  -0.00001  -0.00007   0.00006  -0.00001   0.06814
   D480      -0.30796   0.00000   0.00050   0.00024   0.00074  -0.30722
   D481       1.80039   0.00000   0.00078   0.00027   0.00105   1.80144
   D482      -2.39920   0.00000   0.00051   0.00024   0.00076  -2.39845
   D483       2.74512   0.00000   0.00055   0.00011   0.00066   2.74578
   D484      -1.42971   0.00000   0.00082   0.00015   0.00096  -1.42875
   D485       0.65388   0.00000   0.00055   0.00012   0.00067   0.65456
   D486      -0.08752   0.00000   0.00057   0.00040   0.00097  -0.08655
   D487       2.00793   0.00000   0.00076   0.00040   0.00116   2.00909
   D488      -2.19126   0.00000   0.00064   0.00040   0.00104  -2.19023
   D489      -3.14065   0.00000   0.00053   0.00053   0.00105  -3.13960
   D490      -1.04521   0.00000   0.00072   0.00052   0.00124  -1.04396
   D491       1.03879   0.00000   0.00060   0.00052   0.00112   1.03991
         Item               Value     Threshold  Converged?
 Maximum Force            0.000022     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.008064     0.001800     NO 
 RMS     Displacement     0.001204     0.001200     NO 
 Predicted change in Energy=-1.272781D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:40:31 2016, MaxMem=  2952790016 cpu:        10.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.814224   -0.587841    1.666835
      2          6           0       -2.071562    1.121442   -1.363060
      3          8           0       -2.620188    0.140946   -1.895615
      4          7           0       -0.778250    1.171162   -0.942572
      5          1           0       -2.621706    2.060861   -1.154478
      6          6           0       -0.241067    2.339933   -0.245141
      7          1           0       -1.000322    3.133717   -0.214905
      8          1           0        0.042020    2.063371    0.783458
      9          1           0        0.653720    2.710674   -0.771405
     10          6           0        0.134605    0.038646   -1.115817
     11          1           0        0.703015   -0.112364   -0.184717
     12          1           0       -0.445136   -0.865880   -1.341755
     13          1           0        0.844326    0.237694   -1.935748
     14          6           0       -2.020034   -3.991198    2.637864
     15          8           0       -2.148282   -3.830785    3.863693
     16          7           0       -2.953181   -3.681431    1.696953
     17          1           0       -1.089451   -4.396030    2.192629
     18          6           0       -4.251709   -3.107270    2.057470
     19          1           0       -4.502067   -2.310507    1.339038
     20          1           0       -5.040610   -3.877031    2.019873
     21          1           0       -4.196850   -2.687910    3.070145
     22          6           0       -2.697099   -3.874503    0.269373
     23          1           0       -3.405842   -4.606961   -0.150777
     24          1           0       -2.827015   -2.917202   -0.262003
     25          1           0       -1.668839   -4.233668    0.123326
     26          6           0        1.576841    0.369531    2.603418
     27          8           0        1.420965    1.389289    3.296117
     28          7           0        1.186524   -0.887563    2.949514
     29          1           0        2.053661    0.404502    1.604003
     30          6           0        1.479713   -2.042957    2.100496
     31          1           0        2.229753   -2.693060    2.581618
     32          1           0        0.561425   -2.631111    1.942470
     33          1           0        1.860042   -1.698326    1.129093
     34          6           0        0.547967   -1.154782    4.240827
     35          1           0        1.296744   -1.459013    4.992089
     36          1           0        0.033667   -0.248535    4.585338
     37          1           0       -0.180489   -1.969078    4.117545
     38          6           0       -4.607937    1.080383    2.898778
     39          8           0       -4.854215    1.655929    1.824890
     40          7           0       -3.541257    1.336387    3.704389
     41          1           0       -5.246712    0.262017    3.287672
     42          6           0       -2.547171    2.358837    3.366465
     43          1           0       -2.624991    2.608601    2.300297
     44          1           0       -2.704804    3.267763    3.970232
     45          1           0       -1.542139    1.964232    3.579901
     46          6           0       -3.263581    0.529021    4.892667
     47          1           0       -4.071491   -0.199897    5.043905
     48          1           0       -2.308380   -0.007538    4.761654
     49          1           0       -3.183618    1.177634    5.779855
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.488286   0.000000
     3  O    3.724481   1.243373   0.000000
     4  N    3.313056   1.360859   2.315679   0.000000
     5  H    3.953158   1.108455   2.057999   2.057862   0.000000
     6  C    3.834363   2.466815   3.635908   1.463216   2.563634
     7  H    4.248926   2.552463   3.795449   2.104860   2.159329
     8  H    3.354836   3.156264   4.237984   2.109043   3.294092
     9  H    4.787062   3.209810   4.311128   2.109487   3.361163
    10  C    3.454501   2.469971   2.864863   1.464893   3.418787
    11  H    3.160825   3.257154   3.746334   2.101412   4.088656
    12  H    3.317126   2.568106   2.459941   2.102345   3.652170
    13  H    4.552801   3.100223   3.466097   2.119083   3.993456
    14  C    3.545152   6.492238   6.163379   6.404024   7.167377
    15  O    3.931217   7.200652   7.011916   7.070830   7.753558
    16  N    3.296730   5.762684   5.256234   5.936756   6.419848
    17  H    3.912041   6.637015   6.296113   6.396871   7.432521
    18  C    3.527245   5.859614   5.370256   6.274564   6.299453
    19  H    3.209288   4.998696   4.473709   5.585211   5.372359
    20  H    4.620928   6.726382   6.110125   7.240721   7.154451
    21  H    3.472244   6.219431   5.928496   6.533082   6.548233
    22  C    3.678929   5.292977   4.562557   5.532588   6.104227
    23  H    4.689380   6.005376   5.119017   6.396709   6.788383
    24  H    3.189371   4.253667   3.473289   4.623346   5.061598
    25  H    3.961769   5.572139   4.911052   5.580455   6.493215
    26  C    3.645966   5.441431   6.156996   4.331641   5.883042
    27  O    4.126748   5.829015   6.696518   4.780231   6.049958
    28  N    3.277131   5.766240   6.246932   4.821517   6.327604
    29  H    3.993648   5.131758   5.844797   3.884911   5.675544
    30  C    3.627044   5.883979   6.127604   4.968825   6.652655
    31  H    4.650003   6.972247   7.183254   6.033259   7.752086
    32  H    3.145574   5.651620   5.704197   4.957366   6.460496
    33  H    3.875897   5.442374   5.710013   4.414334   6.279511
    34  C    3.539322   6.591410   7.026523   5.834080   7.035375
    35  H    4.636203   7.641476   8.083483   6.814956   8.094693
    36  H    3.470949   6.456955   7.014085   5.764767   6.732741
    37  H    3.253135   6.569970   6.823667   5.985250   7.070656
    38  C    3.479294   4.959652   5.274457   5.425008   4.619019
    39  O    3.781670   4.265192   4.596543   4.950488   3.744957
    40  N    3.291948   5.280648   5.799784   5.408858   4.997902
    41  H    3.889903   5.696446   5.812035   6.220021   5.464357
    42  C    3.479779   4.911797   5.710854   4.807021   4.531365
    43  H    3.357954   3.992256   4.867753   3.999110   3.497928
    44  H    4.578695   5.783744   6.647729   5.678291   5.265565
    45  H    3.201082   5.042168   5.870932   4.654595   4.856866
    46  C    3.708640   6.395780   6.829739   6.374891   6.271085
    47  H    4.080484   6.840676   7.097844   6.968726   6.755209
    48  H    3.187295   6.232400   6.666221   6.022361   6.275115
    49  H    4.680713   7.229181   7.765630   7.139808   7.012903
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098852   0.000000
     8  H    1.102108   1.796899   0.000000
     9  H    1.102291   1.795693   1.791864   0.000000
    10  C    2.489002   3.417480   2.777649   2.743690   0.000000
    11  H    2.628441   3.665966   2.471457   2.883778   1.101290
    12  H    3.394326   4.192231   3.651625   3.784775   1.097869
    13  H    2.907858   3.840700   3.372073   2.740010   1.102547
    14  C    7.180507   7.742256   6.659482   7.980424   5.913733
    15  O    7.654917   8.152120   7.001881   8.492704   6.706682
    16  N    6.883612   7.342690   6.542817   7.743483   5.593306
    17  H    7.213576   7.905773   6.707447   7.894896   5.666610
    18  C    7.145579   7.394940   6.840669   8.118759   6.261493
    19  H    6.503257   6.657067   6.331525   7.499892   5.748353
    20  H    8.174139   8.394567   7.915190   9.144096   7.207491
    21  H    7.205453   7.409500   6.765473   8.211592   6.611951
    22  C    6.701943   7.226945   6.559376   7.461619   5.024941
    23  H    7.634399   8.106092   7.566629   8.391246   5.920113
    24  H    5.858744   6.320811   5.842128   6.636866   4.270507
    25  H    6.736953   7.405382   6.558621   7.376904   4.800057
    26  C    3.911721   4.714387   2.921819   4.209814   4.002779
    27  O    4.025740   4.607921   2.944372   4.345049   4.790002
    28  N    4.760312   5.564759   3.835323   5.203501   4.300152
    29  H    3.525763   4.481501   2.733467   3.594555   3.348738
    30  C    5.260497   6.189476   4.545710   5.614899   4.060425
    31  H    6.279056   7.225321   5.535630   6.551869   5.052018
    32  H    5.490074   6.350320   4.863255   5.992353   4.082021
    33  H    4.755073   5.773791   4.192259   4.950392   3.321720
    34  C    5.741038   6.375105   4.750357   6.330513   5.503523
    35  H    6.650221   7.313171   5.629751   7.142663   6.395316
    36  H    5.487183   5.962474   4.449637   6.151104   5.709276
    37  H    6.132233   6.743943   5.237012   6.818931   5.614118
    38  C    5.526324   5.189036   5.202206   6.619149   6.300310
    39  O    5.102356   4.604033   5.022321   6.179854   6.012628
    40  N    5.243772   5.004759   4.679766   6.286432   6.199232
    41  H    6.469543   6.208586   6.122634   7.568826   6.956952
    42  C    4.285111   3.977360   3.669214   5.243230   5.715423
    43  H    3.497790   3.039990   3.116251   4.493965   5.088210
    44  H    4.969934   4.520907   4.376200   5.837221   6.660130
    45  H    4.057695   4.007720   3.215506   4.930805   5.345009
    46  C    6.229934   6.163934   5.492434   7.224028   6.920262
    47  H    7.006917   6.942632   6.339933   8.038462   7.462594
    48  H    5.903593   6.028652   5.063505   6.839405   6.365138
    49  H    6.805154   6.673094   6.012757   7.745604   7.736807
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795766   0.000000
    13  H    1.791262   1.798170   0.000000
    14  C    5.516096   5.299555   6.856094   0.000000
    15  O    6.192428   6.228006   7.690367   1.242914   0.000000
    16  N    5.444877   4.842661   6.555693   1.360894   2.316232
    17  H    5.216752   5.036762   6.500337   1.108200   2.057446
    18  C    6.208555   5.573918   7.287259   2.469527   2.865366
    19  H    5.852054   5.072701   6.767679   3.266828   3.771661
    20  H    7.212639   6.440959   8.198193   3.085260   3.430360
    21  H    6.421545   6.071245   7.683201   2.573705   2.476391
    22  C    5.091234   4.088873   5.857851   2.466127   3.636240
    23  H    6.089767   4.917306   6.687356   3.174294   4.277835
    24  H    4.509345   3.323722   5.121868   3.195922   4.279799
    25  H    4.765053   3.871163   5.527103   2.550496   3.792430
    26  C    2.961333   4.602067   4.599782   5.652845   5.753910
    27  O    3.858318   5.484339   5.388051   6.420546   6.349082
    28  N    3.264677   4.591054   5.024847   4.473443   4.540838
    29  H    2.300198   4.066368   3.744349   6.081615   6.379669
    30  C    3.090736   4.115780   4.679354   4.041366   4.412203
    31  H    4.079649   5.087875   5.560156   4.443986   4.701630
    32  H    3.299857   3.862038   4.832252   2.999557   3.531689
    33  H    2.362220   3.480216   3.764719   4.752751   5.300196
    34  C    4.549298   5.677582   6.338525   4.148418   3.817457
    35  H    5.381942   6.595721   7.146917   4.791175   4.332065
    36  H    4.818713   5.978361   6.589245   4.692320   4.256076
    37  H    4.768377   5.575934   6.523990   3.108432   2.720772
    38  C    6.255941   6.252918   7.335526   5.699672   5.576785
    39  O    6.168321   5.985578   6.973317   6.370523   6.448474
    40  N    5.936149   6.316606   7.228527   5.642231   5.354010
    41  H    6.899050   6.764531   8.024054   5.378061   5.165568
    42  C    5.411232   6.081503   6.641909   6.413398   6.222360
    43  H    4.965336   5.485283   5.966694   6.636059   6.643579
    44  H    6.348392   7.100022   7.527167   7.411925   7.121126
    45  H    4.850290   5.782357   6.252882   6.048386   5.833538
    46  C    6.474958   6.982650   7.974147   5.202204   4.616339
    47  H    7.081105   7.373645   8.548233   4.936748   4.274924
    48  H    5.791897   6.438947   7.406409   4.523625   3.930545
    49  H    7.235062   7.898896   8.754333   6.159778   5.461488
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056657   0.000000
    18  C    1.464858   3.417462   0.000000
    19  H    2.099187   4.089496   1.101660   0.000000
    20  H    2.121296   3.988842   1.102864   1.790967   0.000000
    21  H    2.102250   3.652895   1.097445   1.797866   1.796945
    22  C    1.463161   2.560358   2.490532   2.616903   2.925115
    23  H    2.115564   3.301774   2.800163   2.948722   2.813713
    24  H    2.106531   3.351310   2.728706   2.395248   3.320879
    25  H    2.104947   2.155009   3.417734   3.633688   3.884961
    26  C    6.144353   5.476169   6.808686   6.762720   7.884445
    27  O    6.884960   6.402327   7.343877   7.252652   8.432964
    28  N    5.148957   4.249973   5.941147   6.080993   6.969817
    29  H    6.463122   5.768079   7.231589   7.100638   8.296575
    30  C    4.743205   3.485117   5.829564   6.035984   6.773842
    31  H    5.349982   3.750804   6.515800   6.856220   7.387525
    32  H    3.676398   2.429590   4.837997   5.109391   5.739434
    33  H    5.236629   4.136209   6.340387   6.394942   7.291039
    34  C    5.011315   4.169165   5.622824   5.937922   6.601172
    35  H    5.818842   4.707119   6.489536   6.906232   7.405602
    36  H    5.389694   4.918146   5.738199   5.946686   6.745063
    37  H    4.059463   3.228252   4.702577   5.149050   5.626837
    38  C    5.182420   6.547480   4.286157   3.733916   5.053280
    39  O    5.667248   7.136868   4.806784   4.011567   5.539531
    40  N    5.436371   6.415402   4.791991   4.451727   5.680263
    41  H    4.831299   6.338718   3.722301   3.312030   4.333764
    42  C    6.279884   7.009355   5.873436   5.452967   6.849569
    43  H    6.327419   7.171773   5.947803   5.352108   6.926563
    44  H    7.315790   8.031373   6.833200   6.424207   7.765821
    45  H    6.116375   6.525518   5.948084   5.661805   6.985224
    46  C    5.294982   6.022722   4.715650   4.714344   5.551943
    47  H    4.957195   5.884715   4.171822   4.285570   4.858527
    48  H    4.827593   5.229201   4.549449   4.672283   5.473155
    49  H    6.350882   6.951220   5.775585   5.798818   6.567765
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391398   0.000000
    23  H    3.831812   1.102423   0.000000
    24  H    3.610019   1.102572   1.789608   0.000000
    25  H    4.178989   1.098930   1.797682   1.795253   0.000000
    26  C    6.549907   6.459578   7.561626   6.197354   6.154245
    27  O    6.945104   7.336698   8.434107   7.017935   7.157593
    28  N    5.677721   5.584576   6.673496   5.526460   5.228465
    29  H    7.126112   6.531526   7.615785   6.191663   6.128787
    30  C    5.794787   4.914604   5.959110   4.989350   4.315298
    31  H    6.445146   5.569214   6.548964   5.805800   4.859598
    32  H    4.890405   3.868237   4.901518   4.052539   3.294169
    33  H    6.436839   5.122733   6.150428   5.038780   4.460104
    34  C    5.121940   5.805151   6.843707   5.896787   5.598891
    35  H    5.948414   6.639986   7.646761   6.836460   6.340209
    36  H    5.113084   6.263567   7.297731   6.229125   6.220077
    37  H    4.212472   4.977187   5.964889   5.204179   4.826731
    38  C    3.794521   5.925873   6.564350   5.398417   6.676868
    39  O    4.566369   6.136649   6.724941   5.420165   6.908639
    40  N    4.126383   6.298041   7.085480   5.859644   6.881532
    41  H    3.138725   5.720267   6.238483   5.344395   6.559378
    42  C    5.317791   6.961967   7.850518   6.409421   7.399360
    43  H    5.578211   6.794151   7.660406   6.094317   7.243623
    44  H    6.205352   8.044152   8.915461   7.495368   8.493726
    45  H    5.380499   6.810606   7.782796   6.343464   7.097741
    46  C    3.813295   6.409896   7.199643   6.215920   6.926256
    47  H    3.178310   6.179631   6.844707   6.089756   6.801187
    48  H    3.689433   5.940128   6.818438   5.828573   6.307399
    49  H    4.828209   7.491742   8.287540   7.307455   7.973272
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242592   0.000000
    28  N    1.361035   2.314984   0.000000
    29  H    1.107886   2.057513   2.057124   0.000000
    30  C    2.466265   3.635006   1.463463   2.562416   0.000000
    31  H    3.131491   4.222585   2.117426   3.252942   1.103029
    32  H    3.236012   4.328369   2.108280   3.399452   1.101885
    33  H    2.555361   3.797650   2.103543   2.164466   1.098656
    34  C    2.462360   2.850772   1.465145   3.413403   2.497603
    35  H    3.021221   3.317315   2.123868   3.940145   2.955635
    36  H    2.586774   2.503829   2.100799   3.659945   3.389017
    37  H    3.293916   3.810253   2.098260   4.116212   2.613468
    38  C    6.232498   6.049873   6.119736   6.819835   6.888541
    39  O    6.604499   6.450852   6.650163   7.023789   7.340052
    40  N    5.323708   4.979270   5.278987   6.048400   6.261196
    41  H    6.858618   6.762302   6.543883   7.493363   7.208820
    42  C    4.641880   4.085471   4.965223   5.300316   6.098710
    43  H    4.770818   4.341445   5.212705   5.218492   6.206892
    44  H    5.347935   4.583128   5.783687   6.036580   7.014972
    45  H    3.636568   3.031679   3.996964   4.389386   5.232379
    46  C    5.356845   5.023347   5.058260   6.253310   6.075371
    47  H    6.179310   5.978908   5.701410   7.050937   6.548006
    48  H    4.460393   4.243459   4.033938   5.400736   5.057108
    49  H    5.779684   5.236023   5.601251   6.742742   6.756963
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787642   0.000000
    33  H    1.798892   1.793900   0.000000
    34  C    2.819162   2.731697   3.420506   0.000000
    35  H    2.864219   3.348833   3.911178   1.103458   0.000000
    36  H    3.848817   3.597213   4.169312   1.097486   1.796125
    37  H    2.948302   2.391584   3.628762   1.099511   1.790869
    38  C    7.816231   6.435217   7.258634   5.777578   6.759863
    39  O    8.346793   6.908089   7.537666   6.551368   7.587379
    40  N    7.127525   5.973056   6.709371   4.818240   5.733994
    41  H    8.070224   6.626780   7.681690   6.041037   6.977377
    42  C    6.996903   6.049025   6.394523   4.763392   5.656352
    43  H    7.194115   6.142952   6.327469   5.291159   6.258692
    44  H    7.861902   7.041078   7.319284   5.496603   6.276861
    45  H    6.075698   5.312564   5.567371   3.812297   4.666062
    46  C    6.774915   5.772414   6.736251   4.217581   4.975815
    47  H    7.210020   6.082237   7.263203   4.784990   5.514164
    48  H    5.706070   4.802782   5.781869   3.121882   3.893174
    49  H    7.383466   6.577036   7.439035   4.661920   5.257958
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795818   0.000000
    38  C    5.114195   5.512432   0.000000
    39  O    5.927769   6.343553   1.243037   0.000000
    40  N    4.008507   4.731972   1.361012   2.314840   0.000000
    41  H    5.461410   5.597597   1.108600   2.058343   2.058277
    42  C    3.865846   4.989605   2.469804   2.862339   1.465538
    43  H    4.522510   5.498466   2.574044   2.470433   2.104648
    44  H    4.499103   5.815356   3.091045   3.438092   2.121447
    45  H    2.896619   4.196913   3.262551   3.760980   2.099085
    46  C    3.401601   4.043114   2.467161   3.634735   1.463198
    47  H    4.130976   4.373562   2.555085   3.797210   2.106091
    48  H    2.361006   2.964868   3.153069   4.227645   2.108063
    49  H    3.716416   4.656593   3.215392   4.319885   2.112029
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419120   0.000000
    43  H    3.654420   1.097794   0.000000
    44  H    3.995209   1.102511   1.797094   0.000000
    45  H    4.087395   1.100617   1.795875   1.789788   0.000000
    46  C    2.565172   2.488125   3.384203   2.943438   2.597412
    47  H    2.163068   3.418256   4.184185   3.878823   3.636534
    48  H    3.298345   2.757409   3.605926   3.392800   2.423126
    49  H    3.362393   2.761296   3.803558   2.805821   2.855343
                   46         47         48         49
    46  C    0.000000
    47  H    1.098595   0.000000
    48  H    1.103390   1.795891   0.000000
    49  H    1.101906   1.796533   1.790923   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2146323      0.1949702      0.1843315
 Leave Link  202 at Mon Nov 14 04:40:31 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.2722358747 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843757935 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.0878600812 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4032
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.82D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     211
 GePol: Fraction of low-weight points (<1% of avg)   =       5.23%
 GePol: Cavity surface area                          =    468.399 Ang**2
 GePol: Cavity volume                                =    458.496 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040353555 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.0838247257 Hartrees.
 Leave Link  301 at Mon Nov 14 04:40:31 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:40:32 2016, MaxMem=  2952790016 cpu:        14.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:40:32 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000987   -0.000635   -0.000320
         Rot=    1.000000    0.000045    0.000006    0.000030 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:40:33 2016, MaxMem=  2952790016 cpu:         7.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48771072.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   2229.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.76D-15 for   2248    129.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   1806.
 Iteration    1 A^-1*A deviation from orthogonality  is 7.12D-11 for   1707   1680.
 E= -1013.45140682848    
 DIIS: error= 7.57D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45140682848     IErMin= 1 ErrMin= 7.57D-05
 ErrMax= 7.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-06 BMatP= 6.88D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=3.83D-04              OVMax= 5.80D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.35D-05    CP:  1.00D+00
 E= -1013.45141743280     Delta-E=       -0.000010604316 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141743280     IErMin= 2 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-07 BMatP= 6.88D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.222D-01 0.978D+00
 Coeff:      0.222D-01 0.978D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.15D-06 MaxDP=2.40D-04 DE=-1.06D-05 OVMax= 2.35D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.09D-06    CP:  1.00D+00  9.58D-01
 E= -1013.45141693394     Delta-E=        0.000000498857 Rises=F Damp=F
 DIIS: error= 3.05D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141743280     IErMin= 2 ErrMin= 1.12D-05
 ErrMax= 3.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.35D-07 BMatP= 1.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.207D-02 0.717D+00 0.281D+00
 Coeff:      0.207D-02 0.717D+00 0.281D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.35D-06 MaxDP=1.94D-04 DE= 4.99D-07 OVMax= 2.16D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.79D-07    CP:  1.00D+00  9.71D-01  2.98D-01
 E= -1013.45141753171     Delta-E=       -0.000000597773 Rises=F Damp=F
 DIIS: error= 5.21D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141753171     IErMin= 4 ErrMin= 5.21D-06
 ErrMax= 5.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-08 BMatP= 1.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.671D-04 0.255D+00 0.156D+00 0.588D+00
 Coeff:     -0.671D-04 0.255D+00 0.156D+00 0.588D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.12D-07 MaxDP=2.94D-05 DE=-5.98D-07 OVMax= 3.73D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.17D-07    CP:  1.00D+00  9.76D-01  3.32D-01  6.26D-01
 E= -1013.45141754349     Delta-E=       -0.000000011778 Rises=F Damp=F
 DIIS: error= 2.40D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141754349     IErMin= 5 ErrMin= 2.40D-06
 ErrMax= 2.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-09 BMatP= 1.48D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-04 0.141D+00 0.916D-01 0.386D+00 0.381D+00
 Coeff:     -0.134D-04 0.141D+00 0.916D-01 0.386D+00 0.381D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.98D-08 MaxDP=1.03D-05 DE=-1.18D-08 OVMax= 8.31D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.81D-08    CP:  1.00D+00  9.76D-01  3.29D-01  6.42D-01  6.72D-01
 E= -1013.45141754497     Delta-E=       -0.000000001482 Rises=F Damp=F
 DIIS: error= 2.14D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141754497     IErMin= 6 ErrMin= 2.14D-07
 ErrMax= 2.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-11 BMatP= 1.69D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.211D-04 0.362D-01 0.245D-01 0.109D+00 0.152D+00 0.678D+00
 Coeff:     -0.211D-04 0.362D-01 0.245D-01 0.109D+00 0.152D+00 0.678D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.87D-08 MaxDP=1.07D-06 DE=-1.48D-09 OVMax= 9.70D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.62D-08    CP:  1.00D+00  9.76D-01  3.30D-01  6.48D-01  6.70D-01
                    CP:  8.92D-01
 E= -1013.45141754505     Delta-E=       -0.000000000076 Rises=F Damp=F
 DIIS: error= 6.83D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141754505     IErMin= 7 ErrMin= 6.83D-08
 ErrMax= 6.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.21D-12 BMatP= 2.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-04 0.955D-02 0.678D-02 0.318D-01 0.567D-01 0.390D+00
 Coeff-Com:  0.505D+00
 Coeff:     -0.134D-04 0.955D-02 0.678D-02 0.318D-01 0.567D-01 0.390D+00
 Coeff:      0.505D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.88D-09 MaxDP=2.59D-07 DE=-7.64D-11 OVMax= 3.64D-07

 Error on total polarization charges =  0.04316
 SCF Done:  E(RB97D) =  -1013.45141755     A.U. after    7 cycles
            NFock=  7  Conv=0.69D-08     -V/T= 2.0213
 KE= 9.923506502488D+02 PE=-6.029709539833D+03 EE= 2.174823647314D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:42:02 2016, MaxMem=  2952790016 cpu:      1002.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11985 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     364
 Leave Link  701 at Mon Nov 14 04:42:10 2016, MaxMem=  2952790016 cpu:        98.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:42:10 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:42:47 2016, MaxMem=  2952790016 cpu:       440.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.24182887D+00-2.53944328D+00 3.31925137D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000073107   -0.000072172   -0.000120492
      2        6           0.000064602    0.000025854    0.000029214
      3        8           0.000014467    0.000034212   -0.000026231
      4        7          -0.000005542    0.000005795    0.000012057
      5        1           0.000010306    0.000019686    0.000022633
      6        6           0.000037981    0.000045135    0.000055040
      7        1           0.000009750    0.000015054    0.000032338
      8        1          -0.000031168    0.000037702   -0.000007249
      9        1           0.000006607    0.000004868    0.000031758
     10        6           0.000049203    0.000011501    0.000004819
     11        1           0.000002967    0.000043112    0.000024212
     12        1           0.000009598    0.000029794    0.000005929
     13        1           0.000022329    0.000026198    0.000021388
     14        6           0.000021638    0.000001063    0.000027293
     15        8          -0.000010246   -0.000012762   -0.000023067
     16        7          -0.000004819   -0.000022685   -0.000006703
     17        1           0.000001899    0.000009237   -0.000031499
     18        6          -0.000044938    0.000020751    0.000005123
     19        1           0.000002464    0.000023604   -0.000029854
     20        1           0.000005633   -0.000001203   -0.000048810
     21        1           0.000013457    0.000002559   -0.000042206
     22        6           0.000024268    0.000032434   -0.000085577
     23        1           0.000021578   -0.000000514   -0.000022278
     24        1           0.000021851    0.000002046   -0.000015204
     25        1           0.000014694    0.000015676   -0.000022698
     26        6           0.000023917   -0.000002948    0.000030575
     27        8          -0.000049023    0.000007958    0.000029653
     28        7           0.000040260    0.000015697    0.000024350
     29        1          -0.000014062   -0.000000274    0.000019933
     30        6          -0.000023107   -0.000040409   -0.000016582
     31        1           0.000000208    0.000019121    0.000025616
     32        1           0.000002710    0.000003163    0.000025552
     33        1           0.000015297    0.000007248    0.000017798
     34        6           0.000005081   -0.000051873    0.000013570
     35        1          -0.000018699   -0.000018425    0.000003203
     36        1          -0.000035041   -0.000019741   -0.000005470
     37        1          -0.000013912   -0.000016411    0.000002445
     38        6          -0.000067197    0.000009284   -0.000061062
     39        8           0.000017972   -0.000015571    0.000020373
     40        7           0.000048109   -0.000000816    0.000034970
     41        1           0.000002297   -0.000020429   -0.000015077
     42        6           0.000053901   -0.000022076   -0.000007168
     43        1          -0.000008256    0.000018174    0.000019875
     44        1          -0.000071901   -0.000031139    0.000033654
     45        1           0.000004634   -0.000007107    0.000016260
     46        6          -0.000038925   -0.000011468    0.000021435
     47        1          -0.000016403   -0.000029376   -0.000021539
     48        1          -0.000019980   -0.000057271   -0.000003026
     49        1          -0.000023351   -0.000032255    0.000000727
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000120492 RMS     0.000029674
 Leave Link  716 at Mon Nov 14 04:42:47 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000035019 RMS     0.000005557
 Search for a local minimum.
 Step number 104 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .55573D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
                                                    101  102  103  104
 DE= -1.40D-07 DEPred=-1.27D-07 R= 1.10D+00
 Trust test= 1.10D+00 RLast= 3.08D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1
 ITU=  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1
 ITU=  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0
 ITU=  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00004   0.00010   0.00051   0.00090   0.00103
     Eigenvalues ---    0.00114   0.00158   0.00188   0.00207   0.00234
     Eigenvalues ---    0.00248   0.00292   0.00380   0.00420   0.00454
     Eigenvalues ---    0.00587   0.00709   0.00721   0.00802   0.00822
     Eigenvalues ---    0.00849   0.00939   0.01042   0.01085   0.01150
     Eigenvalues ---    0.01209   0.01233   0.01278   0.01325   0.01525
     Eigenvalues ---    0.01552   0.01621   0.01742   0.01751   0.01805
     Eigenvalues ---    0.01829   0.01856   0.01911   0.01949   0.02056
     Eigenvalues ---    0.02195   0.02248   0.02359   0.02426   0.02494
     Eigenvalues ---    0.02558   0.02929   0.03087   0.03161   0.03356
     Eigenvalues ---    0.03904   0.04361   0.04527   0.05159   0.05642
     Eigenvalues ---    0.05823   0.05942   0.06173   0.06266   0.06361
     Eigenvalues ---    0.06567   0.06801   0.06922   0.07474   0.07493
     Eigenvalues ---    0.07516   0.07924   0.08034   0.08136   0.08165
     Eigenvalues ---    0.08368   0.08587   0.08870   0.08948   0.09302
     Eigenvalues ---    0.09451   0.09535   0.09604   0.09805   0.09952
     Eigenvalues ---    0.10094   0.10423   0.10648   0.10678   0.10851
     Eigenvalues ---    0.11253   0.11334   0.11525   0.12215   0.13219
     Eigenvalues ---    0.13377   0.14350   0.14976   0.15140   0.15244
     Eigenvalues ---    0.15477   0.16668   0.20722   0.22487   0.23433
     Eigenvalues ---    0.23522   0.24693   0.25070   0.26267   0.26395
     Eigenvalues ---    0.26941   0.27238   0.28596   0.29240   0.29714
     Eigenvalues ---    0.29769   0.30667   0.32810   0.32824   0.32841
     Eigenvalues ---    0.32926   0.33296   0.33355   0.33361   0.33389
     Eigenvalues ---    0.33399   0.33421   0.33522   0.33651   0.33699
     Eigenvalues ---    0.33799   0.33822   0.33842   0.33923   0.33966
     Eigenvalues ---    0.34040   0.34208   0.34268   0.37208   0.39582
     Eigenvalues ---    0.40715   0.41120   0.85946   0.86241   0.86544
     Eigenvalues ---    0.89463
 Eigenvalue     1 is   4.00D-05 Eigenvector:
                         D399      D381      D383      D385      D397
   1                   -0.22740  -0.22280  -0.20610  -0.20560  -0.20544
                         D387      D405      D395      D403      D407
   1                   -0.20207  -0.19562  -0.19503  -0.19483  -0.19266
 Eigenvalue     2 is   9.59D-05 Eigenvector:
                         D391      D147      D377      D379      D407
   1                   -0.14847   0.14041  -0.13148  -0.12927  -0.12340
                         D369      D389      D371       D54      D401
   1                   -0.12102  -0.12011  -0.11899  -0.11275  -0.11183
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   104  103  102  101  100
 RFO step:  Lambda=-5.87704606D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  8.08D-08 SmlDif=  1.00D-05
 RMS Error=  0.1838069210D-04 NUsed= 5 EDIIS=F
 Point number   2 has GDIIS coefficient  1.31D+01 and has been removed
 DidBck=F Rises=F RFO-DIIS coefs:    1.13623    0.00000    0.82591   -1.87596    0.91382
 Iteration  1 RMS(Cart)=  0.00101995 RMS(Int)=  0.00000179
 Iteration  2 RMS(Cart)=  0.00000076 RMS(Int)=  0.00000117
 ITry= 1 IFail=0 DXMaxC= 7.01D-03 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59190   0.00001  -0.00057  -0.00037  -0.00095   6.59096
    R2        6.26077   0.00001  -0.00009  -0.00004  -0.00013   6.26063
    R3        7.24590   0.00000  -0.00063  -0.00085  -0.00147   7.24442
    R4        6.33972   0.00001  -0.00074  -0.00123  -0.00197   6.33775
    R5        6.52806   0.00001   0.00001   0.00016   0.00017   6.52823
    R6        5.97309  -0.00001  -0.00018   0.00016  -0.00002   5.97307
    R7        6.69937  -0.00001  -0.00033  -0.00074  -0.00107   6.69830
    R8        6.22992  -0.00001   0.00009  -0.00004   0.00005   6.22997
    R9        6.66553  -0.00001   0.00044   0.00001   0.00044   6.66597
   R10        6.06468  -0.00001  -0.00002  -0.00027  -0.00029   6.06438
   R11        6.95217   0.00000  -0.00017  -0.00026  -0.00044   6.95173
   R12        6.02704   0.00000  -0.00015  -0.00015  -0.00030   6.02673
   R13        6.88988  -0.00001   0.00022  -0.00009   0.00013   6.89001
   R14        6.19288   0.00001  -0.00011   0.00007  -0.00003   6.19285
   R15        6.85412   0.00002  -0.00073  -0.00059  -0.00132   6.85280
   R16        5.94427   0.00001  -0.00045  -0.00035  -0.00080   5.94347
   R17        6.68835   0.00000   0.00031   0.00052   0.00084   6.68919
   R18        6.57491   0.00000   0.00007  -0.00088  -0.00081   6.57410
   R19        6.22088   0.00000  -0.00008  -0.00015  -0.00023   6.22065
   R20        6.57583   0.00000  -0.00006   0.00009   0.00003   6.57586
   R21        6.04917   0.00001  -0.00046   0.00017  -0.00029   6.04888
   R22        7.00831   0.00001   0.00004   0.00017   0.00021   7.00852
   R23        6.02311   0.00000   0.00055   0.00071   0.00126   6.02437
   R24        2.34964   0.00001   0.00000  -0.00001  -0.00001   2.34962
   R25        2.57165  -0.00002   0.00003   0.00002   0.00005   2.57170
   R26        2.09468   0.00000  -0.00001  -0.00001  -0.00001   2.09466
   R27        2.76508   0.00000   0.00000   0.00000   0.00001   2.76508
   R28        2.76825   0.00000  -0.00001  -0.00001  -0.00002   2.76823
   R29        2.07653   0.00000   0.00000   0.00000   0.00000   2.07653
   R30        2.08268  -0.00003   0.00002   0.00000   0.00002   2.08270
   R31        2.08303  -0.00001   0.00000  -0.00001   0.00000   2.08302
   R32        2.08114   0.00000   0.00002   0.00001   0.00003   2.08117
   R33        2.07467   0.00000   0.00000   0.00000   0.00001   2.07468
   R34        2.08351   0.00000   0.00000   0.00000   0.00000   2.08351
   R35        2.34877   0.00000   0.00001   0.00001   0.00002   2.34879
   R36        2.57172   0.00002  -0.00001   0.00000  -0.00001   2.57170
   R37        2.09420   0.00000   0.00000   0.00000   0.00001   2.09420
   R38        2.76818   0.00002  -0.00003  -0.00001  -0.00004   2.76814
   R39        2.76497   0.00003  -0.00003   0.00000  -0.00004   2.76493
   R40        2.08184   0.00001   0.00000   0.00000   0.00000   2.08183
   R41        2.08411   0.00000   0.00001   0.00000   0.00001   2.08412
   R42        2.07387   0.00000  -0.00001  -0.00002  -0.00003   2.07384
   R43        2.08328   0.00000   0.00000   0.00000   0.00000   2.08328
   R44        2.08356  -0.00001   0.00002   0.00002   0.00003   2.08359
   R45        2.07668   0.00000   0.00000   0.00000   0.00000   2.07668
   R46        2.34816   0.00002  -0.00001   0.00000  -0.00002   2.34814
   R47        2.57198   0.00000   0.00002   0.00002   0.00003   2.57202
   R48        2.09360   0.00000   0.00000   0.00000   0.00000   2.09360
   R49        2.76555   0.00000   0.00001   0.00001   0.00002   2.76556
   R50        2.76872   0.00000  -0.00001  -0.00002  -0.00002   2.76870
   R51        2.08442   0.00000   0.00000   0.00000   0.00000   2.08442
   R52        2.08226   0.00000   0.00000   0.00001   0.00001   2.08227
   R53        2.07616   0.00000   0.00001   0.00001   0.00002   2.07618
   R54        2.08523  -0.00001   0.00000   0.00000   0.00000   2.08523
   R55        2.07395   0.00000   0.00000   0.00000   0.00000   2.07395
   R56        2.07777   0.00000   0.00000   0.00001   0.00001   2.07778
   R57        2.34900  -0.00003   0.00001   0.00000   0.00001   2.34901
   R58        2.57194   0.00004  -0.00003   0.00000  -0.00003   2.57191
   R59        2.09495   0.00000   0.00000   0.00000   0.00000   2.09495
   R60        2.76947  -0.00001   0.00002  -0.00001   0.00001   2.76948
   R61        2.76504   0.00000  -0.00005  -0.00002  -0.00006   2.76498
   R62        2.07453   0.00000  -0.00001   0.00000  -0.00001   2.07451
   R63        2.08344   0.00000  -0.00001  -0.00001  -0.00002   2.08342
   R64        2.07986   0.00001   0.00001   0.00001   0.00003   2.07989
   R65        2.07604   0.00000   0.00000   0.00000  -0.00001   2.07604
   R66        2.08510   0.00001  -0.00002  -0.00001  -0.00004   2.08507
   R67        2.08230   0.00000   0.00002   0.00001   0.00003   2.08233
    A1        0.68091   0.00000   0.00007   0.00006   0.00013   0.68104
    A2        0.95803  -0.00001   0.00009   0.00008   0.00017   0.95821
    A3        0.72739   0.00000   0.00003   0.00001   0.00004   0.72744
    A4        1.01953   0.00000   0.00005   0.00002   0.00007   1.01960
    A5        2.35186   0.00001   0.00050   0.00072   0.00121   2.35307
    A6        2.02891   0.00001   0.00025   0.00038   0.00063   2.02954
    A7        1.97710   0.00001  -0.00020  -0.00020  -0.00039   1.97671
    A8        1.68355   0.00000  -0.00025  -0.00032  -0.00057   1.68298
    A9        1.66104   0.00000   0.00039   0.00056   0.00095   1.66199
   A10        1.37877   0.00001   0.00034   0.00050   0.00084   1.37961
   A11        1.73460  -0.00001   0.00009   0.00007   0.00016   1.73476
   A12        2.04018  -0.00001   0.00019   0.00022   0.00040   2.04058
   A13        1.94704   0.00000   0.00032   0.00040   0.00072   1.94776
   A14        2.03770   0.00000   0.00054   0.00066   0.00120   2.03889
   A15        2.43321   0.00000   0.00007   0.00007   0.00014   2.43335
   A16        1.58417   0.00000  -0.00029  -0.00032  -0.00061   1.58355
   A17        1.78492   0.00000  -0.00027  -0.00032  -0.00059   1.78433
   A18        1.56457   0.00000  -0.00020  -0.00030  -0.00050   1.56407
   A19        1.70592   0.00000  -0.00014  -0.00025  -0.00039   1.70553
   A20        2.18844   0.00000  -0.00028  -0.00034  -0.00062   2.18782
   A21        2.40795   0.00000  -0.00033  -0.00043  -0.00076   2.40719
   A22        0.64353   0.00000   0.00005   0.00007   0.00012   0.64365
   A23        0.65956   0.00000   0.00003   0.00000   0.00003   0.65959
   A24        2.40920   0.00001   0.00076   0.00108   0.00184   2.41104
   A25        2.23121   0.00000   0.00044   0.00066   0.00110   2.23231
   A26        2.32203   0.00000  -0.00006   0.00001  -0.00005   2.32198
   A27        2.05605   0.00000  -0.00018  -0.00023  -0.00041   2.05564
   A28        1.82366   0.00000   0.00045   0.00067   0.00113   1.82479
   A29        1.58153   0.00000   0.00036   0.00054   0.00090   1.58243
   A30        1.34085   0.00000   0.00005   0.00004   0.00010   1.34095
   A31        1.64136   0.00000   0.00015   0.00019   0.00034   1.64170
   A32        1.59399   0.00000   0.00028   0.00038   0.00066   1.59466
   A33        1.74948   0.00000   0.00050   0.00063   0.00114   1.75062
   A34        2.03661   0.00000   0.00005   0.00006   0.00012   2.03672
   A35        1.84979   0.00000  -0.00016  -0.00015  -0.00031   1.84948
   A36        1.91899   0.00000  -0.00010  -0.00014  -0.00024   1.91875
   A37        1.57176   0.00000  -0.00005  -0.00012  -0.00017   1.57159
   A38        1.59164   0.00000   0.00000  -0.00007  -0.00007   1.59156
   A39        2.27495   0.00000  -0.00008  -0.00015  -0.00023   2.27473
   A40        2.36968   0.00001  -0.00016  -0.00026  -0.00042   2.36926
   A41        0.68945   0.00000   0.00005   0.00007   0.00012   0.68957
   A42        0.74705   0.00000   0.00008   0.00008   0.00015   0.74720
   A43        2.67570   0.00000   0.00081   0.00116   0.00198   2.67768
   A44        2.61160   0.00000   0.00053   0.00079   0.00132   2.61292
   A45        2.65545   0.00000  -0.00017  -0.00020  -0.00038   2.65507
   A46        2.34977   0.00000  -0.00023  -0.00034  -0.00057   2.34920
   A47        2.20334   0.00000   0.00051   0.00076   0.00127   2.20461
   A48        1.96751   0.00000   0.00041   0.00061   0.00102   1.96853
   A49        1.09955   0.00000   0.00004   0.00005   0.00009   1.09963
   A50        1.45990   0.00000   0.00008   0.00014   0.00023   1.46012
   A51        1.56415   0.00000   0.00025   0.00037   0.00062   1.56477
   A52        1.80269   0.00000   0.00044   0.00058   0.00102   1.80371
   A53        1.78352   0.00000  -0.00006  -0.00005  -0.00011   1.78341
   A54        1.71114   0.00000  -0.00004  -0.00001  -0.00005   1.71109
   A55        1.64843   0.00000  -0.00002  -0.00007  -0.00009   1.64833
   A56        1.24864   0.00000  -0.00002  -0.00008  -0.00010   1.24853
   A57        1.21790   0.00000  -0.00002  -0.00010  -0.00012   1.21778
   A58        1.94348   0.00000  -0.00003  -0.00012  -0.00016   1.94333
   A59        1.99190   0.00001  -0.00018  -0.00029  -0.00047   1.99142
   A60        0.83986   0.00000   0.00001   0.00007   0.00008   0.83994
   A61        0.77593   0.00000   0.00003   0.00008   0.00011   0.77604
   A62        2.61178   0.00001   0.00051   0.00080   0.00131   2.61309
   A63        2.77943   0.00000   0.00056   0.00092   0.00147   2.78090
   A64        2.60745  -0.00001  -0.00021  -0.00039  -0.00060   2.60685
   A65        2.40203   0.00000   0.00046   0.00076   0.00122   2.40325
   A66        2.20636   0.00000   0.00038   0.00061   0.00099   2.20735
   A67        0.85729   0.00000  -0.00002   0.00004   0.00003   0.85732
   A68        1.23311   0.00001   0.00000   0.00010   0.00009   1.23321
   A69        1.41622   0.00001   0.00013   0.00030   0.00044   1.41665
   A70        1.68961   0.00001   0.00027   0.00045   0.00072   1.69032
   A71        1.51958   0.00001  -0.00013  -0.00010  -0.00023   1.51935
   A72        1.73007   0.00000   0.00015   0.00016   0.00031   1.73038
   A73        1.56212   0.00000   0.00015   0.00008   0.00022   1.56234
   A74        1.13289   0.00000   0.00014   0.00007   0.00021   1.13310
   A75        1.02429   0.00000   0.00010   0.00002   0.00012   1.02441
   A76        1.77959   0.00000   0.00010  -0.00001   0.00009   1.77968
   A77        1.76968   0.00001  -0.00009  -0.00022  -0.00031   1.76937
   A78        2.01250   0.00001   0.00079   0.00113   0.00192   2.01443
   A79        1.95243   0.00000   0.00055   0.00082   0.00137   1.95380
   A80        2.22508   0.00001   0.00020   0.00040   0.00061   2.22569
   A81        2.08008   0.00000  -0.00002   0.00001  -0.00001   2.08007
   A82        1.56222   0.00000   0.00045   0.00069   0.00114   1.56336
   A83        1.39433   0.00000   0.00031   0.00050   0.00082   1.39514
   A84        1.19673   0.00000   0.00003   0.00001   0.00004   1.19678
   A85        1.38503   0.00000   0.00018   0.00022   0.00039   1.38543
   A86        1.22041   0.00000   0.00028   0.00039   0.00067   1.22108
   A87        1.33083   0.00000   0.00051   0.00065   0.00116   1.33199
   A88        1.81146   0.00000   0.00016   0.00018   0.00033   1.81179
   A89        2.28002   0.00000  -0.00019  -0.00020  -0.00038   2.27963
   A90        2.33026   0.00000  -0.00003  -0.00006  -0.00009   2.33016
   A91        1.93766   0.00000   0.00003   0.00000   0.00003   1.93770
   A92        1.86384   0.00000   0.00012   0.00010   0.00022   1.86406
   A93        2.61895   0.00000   0.00009   0.00004   0.00013   2.61908
   A94        2.56182   0.00000   0.00007   0.00002   0.00009   2.56191
   A95        1.92953   0.00001   0.00072   0.00107   0.00179   1.93132
   A96        2.00606   0.00001   0.00052   0.00083   0.00135   2.00740
   A97        2.37844   0.00001   0.00030   0.00058   0.00088   2.37932
   A98        2.32939   0.00000   0.00003   0.00012   0.00015   2.32954
   A99        1.67397   0.00000   0.00035   0.00060   0.00096   1.67493
   A100       1.57929   0.00000   0.00021   0.00040   0.00062   1.57991
   A101       0.88959   0.00000   0.00005   0.00002   0.00006   0.88965
   A102       1.06307   0.00000   0.00017   0.00022   0.00039   1.06347
   A103       0.93619   0.00000   0.00026   0.00038   0.00064   0.93683
   A104       1.10132   0.00001   0.00045   0.00061   0.00105   1.10238
   A105       1.48930   0.00000   0.00015   0.00018   0.00033   1.48962
   A106       2.45711   0.00000   0.00001   0.00004   0.00005   2.45716
   A107       2.33567  -0.00001   0.00020   0.00019   0.00040   2.33606
   A108       1.90337   0.00000   0.00020   0.00020   0.00041   1.90377
   A109       1.73398  -0.00001   0.00026   0.00027   0.00054   1.73452
   A110       2.45823   0.00000   0.00031   0.00028   0.00059   2.45882
   A111       2.29811   0.00000   0.00020   0.00017   0.00037   2.29849
   A112       0.71337   0.00000   0.00000   0.00004   0.00004   0.71341
   A113       1.00516   0.00001  -0.00001   0.00005   0.00004   1.00521
   A114       0.69582   0.00001   0.00003   0.00006   0.00009   0.69591
   A115       0.98372   0.00001   0.00003   0.00008   0.00011   0.98383
   A116       1.80875   0.00000   0.00025   0.00033   0.00057   1.80932
   A117       1.42847   0.00000   0.00025   0.00030   0.00056   1.42902
   A118       1.19699   0.00000   0.00033   0.00044   0.00077   1.19776
   A119       0.92260   0.00000   0.00025   0.00038   0.00064   0.92324
   A120       1.25115  -0.00001   0.00013   0.00010   0.00023   1.25138
   A121       1.89304   0.00000  -0.00077  -0.00114  -0.00191   1.89113
   A122       1.94031  -0.00001  -0.00075  -0.00106  -0.00181   1.93849
   A123       2.30086  -0.00001  -0.00066  -0.00091  -0.00158   2.29929
   A124       2.22258  -0.00001  -0.00044  -0.00059  -0.00103   2.22155
   A125       1.59897  -0.00001  -0.00067  -0.00092  -0.00160   1.59738
   A126       1.47046  -0.00001  -0.00042  -0.00061  -0.00104   1.46942
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   A131       1.50695   0.00000   0.00023   0.00033   0.00057   1.50751
   A132       1.21384   0.00000   0.00017   0.00028   0.00045   1.21429
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   A135       1.94079   0.00000  -0.00071  -0.00100  -0.00171   1.93908
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   A137       2.45283   0.00000  -0.00054  -0.00074  -0.00129   2.45154
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   A139       1.67942  -0.00001  -0.00033  -0.00048  -0.00081   1.67862
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   A224       0.69793   0.00000  -0.00001   0.00003   0.00003   0.69795
   A225       0.98172   0.00000   0.00002   0.00005   0.00007   0.98179
   A226       0.65782   0.00000   0.00002  -0.00001   0.00001   0.65783
   A227       0.66202   0.00000  -0.00004  -0.00004  -0.00008   0.66194
   A228       0.70413   0.00000  -0.00002  -0.00003  -0.00005   0.70408
   A229       0.84853   0.00000  -0.00013  -0.00014  -0.00027   0.84826
   A230       0.75728   0.00000   0.00000  -0.00004  -0.00004   0.75724
   A231       0.77807   0.00001  -0.00016  -0.00019  -0.00034   0.77773
   A232       1.58897   0.00002  -0.00005   0.00021   0.00016   1.58913
   A233       1.86340  -0.00001  -0.00014  -0.00042  -0.00055   1.86285
   A234       2.19013   0.00000  -0.00001   0.00003   0.00002   2.19015
   A235       2.12931   0.00000   0.00002   0.00000   0.00002   2.12933
   A236       1.96338   0.00000  -0.00001  -0.00003  -0.00004   1.96333
   A237       2.12394  -0.00001   0.00000  -0.00006  -0.00007   2.12387
   A238       2.12638   0.00001  -0.00002  -0.00002  -0.00003   2.12634
   A239       2.03211   0.00000   0.00000   0.00006   0.00006   2.03217
   A240       1.82800   0.00000  -0.00021  -0.00013  -0.00034   1.82766
   A241       2.54619  -0.00001   0.00022   0.00014   0.00035   2.54655
   A242       1.91395   0.00000   0.00001   0.00001   0.00002   1.91397
   A243       1.91634   0.00000   0.00001   0.00001   0.00001   1.91635
   A244       1.91676  -0.00001   0.00003   0.00001   0.00004   1.91680
   A245       1.91035  -0.00001   0.00001  -0.00002  -0.00002   1.91034
   A246       1.90822   0.00000  -0.00002  -0.00002  -0.00004   1.90818
   A247       1.89809   0.00000  -0.00003   0.00002  -0.00001   1.89807
   A248       1.28539   0.00000   0.00017   0.00004   0.00020   1.28560
   A249       1.90461  -0.00001   0.00006   0.00004   0.00009   1.90470
   A250       1.90946  -0.00001   0.00002  -0.00002   0.00000   1.90946
   A251       1.92784   0.00000  -0.00001   0.00003   0.00002   1.92786
   A252       1.91088   0.00001  -0.00004  -0.00005  -0.00009   1.91080
   A253       1.89786   0.00000  -0.00003  -0.00001  -0.00004   1.89782
   A254       1.91305   0.00000   0.00000   0.00001   0.00001   1.91306
   A255       1.72362   0.00000  -0.00003  -0.00015  -0.00019   1.72343
   A256       1.76389  -0.00001  -0.00013  -0.00012  -0.00025   1.76364
   A257       2.19169   0.00000   0.00001  -0.00001  -0.00001   2.19168
   A258       2.12944   0.00000   0.00000   0.00002   0.00001   2.12945
   A259       1.96185   0.00000   0.00000   0.00000  -0.00001   1.96184
   A260       2.12573   0.00000   0.00005   0.00002   0.00007   2.12580
   A261       2.12296   0.00000   0.00004   0.00007   0.00011   2.12307
   A262       2.03420   0.00000  -0.00010  -0.00010  -0.00019   2.03401
   A263       1.36403  -0.00001   0.00043   0.00021   0.00064   1.36467
   A264       1.90121   0.00000  -0.00001  -0.00002  -0.00003   1.90117
   A265       1.93065   0.00000  -0.00003  -0.00003  -0.00006   1.93059
   A266       1.90982  -0.00001   0.00003   0.00001   0.00004   1.90986
   A267       1.89653   0.00000  -0.00003  -0.00003  -0.00005   1.89648
   A268       1.91427   0.00000   0.00006   0.00007   0.00013   1.91439
   A269       1.91126   0.00001  -0.00002   0.00000  -0.00002   1.91124
   A270       2.67391   0.00001   0.00012   0.00016   0.00028   2.67419
   A271       1.68899   0.00000  -0.00015  -0.00018  -0.00033   1.68866
   A272       1.92517   0.00000   0.00002   0.00001   0.00004   1.92520
   A273       1.91243   0.00000  -0.00004  -0.00004  -0.00007   1.91236
   A274       1.91406   0.00000   0.00005   0.00006   0.00011   1.91417
   A275       1.89382   0.00000  -0.00007  -0.00007  -0.00013   1.89369
   A276       1.91108   0.00000   0.00000   0.00000   0.00001   1.91108
   A277       1.90707   0.00000   0.00002   0.00003   0.00005   1.90712
   A278       1.81525  -0.00003   0.00032   0.00017   0.00048   1.81573
   A279       1.74859  -0.00001  -0.00021  -0.00032  -0.00054   1.74805
   A280       2.18985  -0.00001  -0.00001   0.00001   0.00000   2.18985
   A281       2.13054   0.00001   0.00000  -0.00002  -0.00001   2.13052
   A282       1.96273  -0.00001   0.00001   0.00000   0.00001   1.96274
   A283       2.12260   0.00001  -0.00004   0.00000  -0.00004   2.12256
   A284       2.11479   0.00001  -0.00001   0.00001   0.00000   2.11479
   A285       2.04276  -0.00002   0.00005   0.00000   0.00005   2.04281
   A286       2.70485   0.00000   0.00055   0.00049   0.00103   2.70588
   A287       1.65372   0.00000  -0.00058  -0.00053  -0.00111   1.65260
   A288       1.92676   0.00000   0.00007   0.00002   0.00008   1.92684
   A289       1.91522  -0.00001   0.00000  -0.00001  -0.00001   1.91520
   A290       1.91203  -0.00001  -0.00003  -0.00001  -0.00004   1.91199
   A291       1.89088   0.00000   0.00002   0.00000   0.00002   1.89090
   A292       1.91256   0.00000   0.00000   0.00001   0.00001   1.91257
   A293       1.90618   0.00001  -0.00006  -0.00001  -0.00007   1.90611
   A294       1.35232  -0.00002   0.00045   0.00043   0.00088   1.35320
   A295       1.15372   0.00001  -0.00027  -0.00027  -0.00054   1.15317
   A296       1.93327   0.00000   0.00001   0.00000   0.00002   1.93329
   A297       1.90742  -0.00002   0.00001   0.00001   0.00002   1.90744
   A298       1.90181   0.00001   0.00000   0.00000   0.00000   1.90181
   A299       1.90915   0.00001   0.00001   0.00003   0.00004   1.90919
   A300       1.89834   0.00000  -0.00002  -0.00001  -0.00004   1.89831
   A301       1.91375  -0.00001   0.00000  -0.00004  -0.00004   1.91371
   A302       1.64606  -0.00001   0.00005  -0.00013  -0.00008   1.64598
   A303       1.80588  -0.00001  -0.00001  -0.00015  -0.00016   1.80572
   A304       2.18899   0.00000   0.00000  -0.00001  -0.00002   2.18897
   A305       2.13022   0.00001  -0.00002   0.00001  -0.00001   2.13021
   A306       1.96362  -0.00001   0.00002   0.00001   0.00003   1.96365
   A307       2.12511  -0.00001   0.00002   0.00000   0.00002   2.12513
   A308       2.12427  -0.00001   0.00005   0.00005   0.00009   2.12437
   A309       2.03028   0.00002  -0.00006  -0.00005  -0.00011   2.03018
   A310       1.30076   0.00001   0.00015   0.00003   0.00018   1.30094
   A311       3.04892   0.00001  -0.00028  -0.00003  -0.00031   3.04861
   A312       1.91196   0.00001  -0.00003   0.00000  -0.00003   1.91193
   A313       1.93040   0.00000  -0.00006  -0.00002  -0.00008   1.93032
   A314       1.90133   0.00000  -0.00006  -0.00005  -0.00011   1.90122
   A315       1.91150  -0.00002   0.00015   0.00006   0.00021   1.91171
   A316       1.91202   0.00000   0.00003   0.00004   0.00007   1.91209
   A317       1.89646   0.00001  -0.00003  -0.00003  -0.00006   1.89640
   A318       1.77964  -0.00001  -0.00035  -0.00034  -0.00070   1.77894
   A319       1.91596   0.00001   0.00003   0.00004   0.00007   1.91603
   A320       1.91365   0.00000  -0.00003  -0.00006  -0.00009   1.91356
   A321       1.92073   0.00000   0.00002   0.00002   0.00004   1.92077
   A322       1.90745  -0.00001   0.00008   0.00004   0.00012   1.90757
   A323       1.91037   0.00000  -0.00006  -0.00005  -0.00011   1.91026
   A324       1.89549   0.00000  -0.00003   0.00000  -0.00003   1.89545
   A325       2.93513   0.00000  -0.00010  -0.00012  -0.00022   2.93491
   A326       3.36695   0.00000   0.00025   0.00031   0.00057   3.36752
   A327       3.08469   0.00000   0.00021   0.00025   0.00045   3.08514
   A328       3.19845   0.00000   0.00017   0.00004   0.00021   3.19866
   A329       3.27529   0.00000   0.00040   0.00022   0.00062   3.27591
   A330       3.26148  -0.00001   0.00045   0.00046   0.00091   3.26239
   A331       3.69001   0.00000  -0.00041  -0.00039  -0.00080   3.68921
   A332       3.22755   0.00001   0.00043   0.00084   0.00127   3.22882
   A333       2.96668   0.00001  -0.00057  -0.00084  -0.00141   2.96527
   A334       2.90243   0.00000  -0.00041  -0.00064  -0.00105   2.90138
   A335       3.22915   0.00000   0.00004  -0.00002   0.00002   3.22917
   A336       3.07586   0.00000  -0.00005  -0.00006  -0.00010   3.07576
   A337       3.10444   0.00000  -0.00009  -0.00008  -0.00018   3.10426
   A338       3.04701   0.00000   0.00015   0.00020   0.00034   3.04735
    D1        2.75820   0.00000   0.00001   0.00001   0.00002   2.75822
    D2       -1.36099   0.00000  -0.00002  -0.00001  -0.00002  -1.36101
    D3        2.77986   0.00001  -0.00008  -0.00003  -0.00011   2.77975
    D4       -1.33933   0.00001  -0.00011  -0.00005  -0.00015  -1.33948
    D5        1.66192   0.00000   0.00000  -0.00006  -0.00006   1.66185
    D6       -2.45727   0.00000  -0.00003  -0.00008  -0.00010  -2.45738
    D7        1.84258   0.00000  -0.00007  -0.00011  -0.00017   1.84240
    D8       -2.27661   0.00000  -0.00009  -0.00012  -0.00021  -2.27683
    D9        0.30097   0.00000  -0.00092  -0.00132  -0.00224   0.29873
   D10        2.46497   0.00000  -0.00094  -0.00133  -0.00228   2.46268
   D11        0.02045   0.00000  -0.00060  -0.00093  -0.00153   0.01892
   D12        2.18445   0.00000  -0.00062  -0.00095  -0.00157   2.18288
   D13       -0.44768   0.00000  -0.00051  -0.00087  -0.00138  -0.44907
   D14        1.71631  -0.00001  -0.00054  -0.00089  -0.00142   1.71489
   D15       -0.56586   0.00000  -0.00027  -0.00051  -0.00078  -0.56664
   D16        1.59814   0.00000  -0.00030  -0.00052  -0.00082   1.59732
   D17        0.20597   0.00000  -0.00024  -0.00047  -0.00072   0.20525
   D18        2.36996   0.00000  -0.00027  -0.00049  -0.00076   2.36921
   D19        0.14171   0.00000  -0.00008  -0.00027  -0.00035   0.14136
   D20        2.30571   0.00000  -0.00011  -0.00028  -0.00039   2.30532
   D21        2.39569   0.00000  -0.00004  -0.00015  -0.00020   2.39549
   D22       -1.72350   0.00000  -0.00007  -0.00017  -0.00024  -1.72374
   D23        2.15436   0.00000   0.00011   0.00002   0.00013   2.15449
   D24       -1.96483   0.00000   0.00008   0.00000   0.00009  -1.96474
   D25        1.70984   0.00000  -0.00003  -0.00014  -0.00017   1.70967
   D26       -2.40935   0.00000  -0.00006  -0.00015  -0.00021  -2.40956
   D27        1.40239   0.00001  -0.00007  -0.00017  -0.00024   1.40215
   D28       -2.71680   0.00000  -0.00010  -0.00019  -0.00028  -2.71708
   D29        2.36909   0.00000   0.00042   0.00038   0.00080   2.36989
   D30       -1.75010   0.00000   0.00040   0.00036   0.00076  -1.74934
   D31       -1.74697   0.00000   0.00030   0.00038   0.00068  -1.74629
   D32        0.41703   0.00000   0.00028   0.00036   0.00064   0.41767
   D33       -2.09700   0.00000   0.00034   0.00033   0.00067  -2.09633
   D34        0.06700   0.00000   0.00031   0.00032   0.00063   0.06763
   D35       -2.47235   0.00000   0.00030   0.00034   0.00063  -2.47171
   D36       -0.30835   0.00000   0.00027   0.00032   0.00059  -0.30776
   D37       -2.76072   0.00000   0.00033   0.00037   0.00070  -2.76002
   D38       -0.59672   0.00000   0.00030   0.00035   0.00066  -0.59607
   D39       -2.12227   0.00000   0.00039   0.00031   0.00070  -2.12157
   D40        0.04172   0.00000   0.00036   0.00030   0.00066   0.04238
   D41       -2.36504   0.00000   0.00031   0.00021   0.00052  -2.36452
   D42       -0.20104   0.00000   0.00028   0.00020   0.00048  -0.20056
   D43        1.26480   0.00000   0.00013   0.00010   0.00023   1.26504
   D44       -1.92872   0.00000  -0.00017  -0.00035  -0.00052  -1.92924
   D45        2.45869   0.00000   0.00010   0.00001   0.00011   2.45879
   D46       -0.73484   0.00000  -0.00020  -0.00044  -0.00064  -0.73548
   D47        2.94410   0.00000   0.00005  -0.00005   0.00001   2.94411
   D48       -0.24943   0.00000  -0.00024  -0.00050  -0.00074  -0.25017
   D49        2.87043   0.00001   0.00055   0.00067   0.00122   2.87166
   D50       -0.32310   0.00001   0.00026   0.00021   0.00047  -0.32262
   D51        2.03623   0.00000  -0.00049  -0.00092  -0.00141   2.03482
   D52       -1.15729   0.00000  -0.00078  -0.00137  -0.00216  -1.15945
   D53        1.13814  -0.00001  -0.00086  -0.00161  -0.00247   1.13567
   D54       -2.05538  -0.00001  -0.00116  -0.00206  -0.00322  -2.05861
   D55        1.00864   0.00000  -0.00021  -0.00055  -0.00077   1.00788
   D56       -2.18489   0.00000  -0.00051  -0.00101  -0.00152  -2.18640
   D57        2.02127   0.00000   0.00010  -0.00010  -0.00001   2.02126
   D58       -1.17226   0.00000  -0.00020  -0.00056  -0.00076  -1.17302
   D59        1.82756   0.00000   0.00018   0.00002   0.00020   1.82776
   D60       -1.36596   0.00000  -0.00012  -0.00043  -0.00055  -1.36651
   D61       -2.28034   0.00000   0.00009  -0.00007   0.00002  -2.28032
   D62        0.80932   0.00000  -0.00021  -0.00052  -0.00073   0.80859
   D63       -2.41143   0.00000   0.00028   0.00018   0.00046  -2.41097
   D64        0.67823   0.00000  -0.00002  -0.00027  -0.00029   0.67794
   D65       -2.81416   0.00000   0.00028   0.00020   0.00048  -2.81368
   D66        0.27550   0.00000  -0.00002  -0.00025  -0.00028   0.27522
   D67       -2.98838   0.00001   0.00044   0.00041   0.00085  -2.98753
   D68        0.10127   0.00001   0.00014  -0.00004   0.00010   0.10138
   D69       -2.13206   0.00000   0.00042   0.00035   0.00077  -2.13129
   D70        0.95759   0.00000   0.00012  -0.00010   0.00002   0.95762
   D71       -0.15246   0.00000   0.00054   0.00058   0.00112  -0.15134
   D72        2.93720   0.00000   0.00024   0.00013   0.00037   2.93757
   D73       -0.55099   0.00000   0.00055   0.00054   0.00109  -0.54990
   D74        2.53866   0.00000   0.00025   0.00009   0.00034   2.53900
   D75       -0.71922   0.00000   0.00052   0.00058   0.00110  -0.71812
   D76        2.37044   0.00000   0.00022   0.00013   0.00035   2.37079
   D77       -1.05740   0.00000   0.00052   0.00057   0.00109  -1.05631
   D78        2.03226   0.00000   0.00022   0.00012   0.00034   2.03260
   D79       -0.83562   0.00000   0.00056   0.00052   0.00108  -0.83454
   D80        2.25404   0.00000   0.00026   0.00007   0.00033   2.25437
   D81       -1.13904   0.00000   0.00051   0.00049   0.00101  -1.13804
   D82        1.95061   0.00000   0.00022   0.00004   0.00025   1.95087
   D83       -1.53272   0.00000   0.00007   0.00003   0.00010  -1.53263
   D84       -2.60915   0.00000   0.00001  -0.00002  -0.00001  -2.60917
   D85       -2.94834   0.00001  -0.00006  -0.00003  -0.00008  -2.94842
   D86        0.73265   0.00001  -0.00003  -0.00008  -0.00011   0.73254
   D87        0.30721   0.00000  -0.00013  -0.00026  -0.00040   0.30681
   D88       -0.07465   0.00000  -0.00050  -0.00079  -0.00129  -0.07594
   D89       -0.41025   0.00000  -0.00033  -0.00059  -0.00092  -0.41117
   D90        0.18376   0.00000   0.00014   0.00009   0.00024   0.18400
   D91       -0.05329   0.00000   0.00024   0.00022   0.00045  -0.05284
   D92        2.39807   0.00000  -0.00001  -0.00009  -0.00010   2.39797
   D93        2.05229   0.00000   0.00011   0.00003   0.00013   2.05242
   D94        1.65633   0.00000   0.00003  -0.00006  -0.00004   1.65629
   D95        1.37071   0.00000   0.00010   0.00005   0.00015   1.37086
   D96        2.05917   0.00000   0.00028   0.00026   0.00054   2.05971
   D97       -1.88818   0.00000   0.00053   0.00069   0.00122  -1.88695
   D98       -2.42733  -0.00001   0.00062   0.00071   0.00133  -2.42600
   D99       -2.64605   0.00000   0.00044   0.00056   0.00100  -2.64505
   D100      -2.97586   0.00000   0.00041   0.00053   0.00094  -2.97492
   D101      -2.89693   0.00000   0.00083   0.00093   0.00176  -2.89517
   D102       2.85012  -0.00001   0.00072   0.00086   0.00158   2.85170
   D103      -2.88341   0.00000   0.00108   0.00136   0.00245  -2.88096
   D104       1.21447   0.00000   0.00114   0.00143   0.00258   1.21705
   D105       2.82172   0.00000   0.00069   0.00084   0.00153   2.82326
   D106       0.63642   0.00000   0.00075   0.00091   0.00167   0.63808
   D107       2.31140  -0.00001   0.00003  -0.00011  -0.00009   2.31131
   D108       0.12609  -0.00001   0.00008  -0.00004   0.00004   0.12613
   D109       1.73863   0.00000  -0.00059  -0.00104  -0.00165   1.73698
   D110      -0.44668  -0.00001  -0.00054  -0.00097  -0.00151  -0.44819
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   D112       0.41156   0.00000   0.00051   0.00059   0.00110   0.41266
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   D332       1.04319  -0.00001  -0.00003   0.00014   0.00011   1.04330
   D333      -3.06838   0.00000  -0.00003   0.00006   0.00003  -3.06835
   D334       0.32516   0.00000  -0.00034  -0.00029  -0.00063   0.32453
   D335       2.49678   0.00000  -0.00035  -0.00036  -0.00071   2.49607
   D336       0.71471   0.00000  -0.00057  -0.00055  -0.00111   0.71360
   D337       2.88633   0.00000  -0.00057  -0.00063  -0.00120   2.88513
   D338      -2.32237  -0.00001  -0.00015  -0.00006  -0.00021  -2.32258
   D339      -0.15076  -0.00001  -0.00016  -0.00014  -0.00029  -0.15105
   D340      -1.94715   0.00000  -0.00017  -0.00008  -0.00026  -1.94740
   D341       0.22447   0.00000  -0.00017  -0.00016  -0.00034   0.22413
   D342      -1.89606   0.00000   0.00001   0.00014   0.00015  -1.89591
   D343       0.27555   0.00000   0.00000   0.00007   0.00007   0.27562
   D344      -1.59557   0.00000   0.00008   0.00032   0.00040  -1.59516
   D345       0.57605   0.00000   0.00007   0.00025   0.00032   0.57637
   D346      -1.58170   0.00000  -0.00033  -0.00030  -0.00062  -1.58233
   D347       0.58991   0.00000  -0.00033  -0.00038  -0.00071   0.58921
   D348      -1.28153   0.00000  -0.00034  -0.00032  -0.00066  -1.28219
   D349       0.89008   0.00000  -0.00034  -0.00039  -0.00074   0.88935
   D350       1.86446   0.00000  -0.00008   0.00010   0.00001   1.86447
   D351      -2.24711   0.00000  -0.00008   0.00002  -0.00007  -2.24718
   D352       2.30618   0.00000   0.00007   0.00036   0.00042   2.30661
   D353      -1.80539   0.00000   0.00006   0.00028   0.00034  -1.80504
   D354       2.58312   0.00000   0.00055   0.00109   0.00164   2.58476
   D355      -1.52845   0.00000   0.00054   0.00101   0.00156  -1.52689
   D356      -3.06499   0.00000   0.00068   0.00121   0.00188  -3.06311
   D357      -0.89338   0.00000   0.00068   0.00113   0.00180  -0.89157
   D358       2.61955   0.00000  -0.00009   0.00013   0.00004   2.61959
   D359      -1.49202   0.00000  -0.00009   0.00005  -0.00004  -1.49206
   D360       1.63795   0.00000  -0.00002   0.00004   0.00003   1.63798
   D361      -2.47362   0.00000  -0.00002  -0.00004  -0.00005  -2.47367
   D362       1.81308   0.00000  -0.00003   0.00004   0.00001   1.81309
   D363      -2.29849   0.00000  -0.00003  -0.00004  -0.00007  -2.29856
   D364       2.74956   0.00000  -0.00004  -0.00006  -0.00010   2.74946
   D365      -1.36201   0.00000  -0.00005  -0.00014  -0.00019  -1.36219
   D366       2.74772   0.00001  -0.00023  -0.00022  -0.00046   2.74726
   D367      -1.36385   0.00001  -0.00024  -0.00030  -0.00054  -1.36439
   D368       0.06110   0.00000  -0.00013  -0.00014  -0.00027   0.06083
   D369      -2.38593   0.00000  -0.00151  -0.00134  -0.00285  -2.38878
   D370       0.46067   0.00000  -0.00010  -0.00012  -0.00022   0.46045
   D371      -1.98636   0.00000  -0.00148  -0.00132  -0.00280  -1.98916
   D372       0.67557   0.00000   0.00005   0.00007   0.00011   0.67569
   D373      -1.77146   0.00000  -0.00133  -0.00114  -0.00247  -1.77392
   D374       0.94758  -0.00001   0.00015   0.00016   0.00031   0.94788
   D375      -1.49945  -0.00001  -0.00123  -0.00104  -0.00227  -1.50173
   D376       0.70031   0.00000  -0.00024  -0.00032  -0.00056   0.69975
   D377      -1.74671   0.00000  -0.00162  -0.00153  -0.00314  -1.74986
   D378       1.04198   0.00000  -0.00021  -0.00029  -0.00050   1.04149
   D379      -1.40505   0.00000  -0.00158  -0.00150  -0.00308  -1.40812
   D380      -2.73026   0.00000   0.00063   0.00087   0.00149  -2.72877
   D381       1.10590  -0.00001  -0.00075  -0.00034  -0.00109   1.10480
   D382      -2.18921   0.00000   0.00029   0.00044   0.00073  -2.18848
   D383       1.64694   0.00000  -0.00108  -0.00076  -0.00185   1.64509
   D384      -1.95368   0.00000   0.00031   0.00041   0.00072  -1.95296
   D385       1.88248   0.00000  -0.00107  -0.00079  -0.00186   1.88062
   D386      -1.62691   0.00000   0.00022   0.00034   0.00055  -1.62636
   D387       2.20924   0.00000  -0.00116  -0.00087  -0.00203   2.20722
   D388      -1.69746   0.00000  -0.00041  -0.00049  -0.00090  -1.69836
   D389       2.13870   0.00000  -0.00179  -0.00170  -0.00348   2.13522
   D390      -1.13186   0.00000  -0.00068  -0.00093  -0.00161  -1.13348
   D391       2.70429   0.00000  -0.00206  -0.00214  -0.00419   2.70010
   D392       1.79862   0.00000  -0.00002  -0.00004  -0.00006   1.79856
   D393      -0.64841   0.00000  -0.00140  -0.00124  -0.00264  -0.65105
   D394       2.10233   0.00000   0.00005   0.00006   0.00011   2.10244
   D395      -0.34470   0.00000  -0.00133  -0.00114  -0.00247  -0.34717
   D396       2.05830   0.00000   0.00020   0.00026   0.00046   2.05876
   D397      -0.38873   0.00000  -0.00118  -0.00094  -0.00212  -0.39085
   D398       2.27303   0.00001   0.00057   0.00070   0.00128   2.27430
   D399      -0.17400   0.00001  -0.00080  -0.00050  -0.00130  -0.17531
   D400       2.49876   0.00000  -0.00004  -0.00005  -0.00010   2.49867
   D401       0.05173   0.00000  -0.00142  -0.00126  -0.00268   0.04906
   D402      -1.53687   0.00000   0.00009   0.00000   0.00010  -1.53677
   D403       2.29929   0.00000  -0.00129  -0.00120  -0.00248   2.29680
   D404      -2.63389   0.00000   0.00009  -0.00004   0.00006  -2.63383
   D405       1.20227   0.00000  -0.00128  -0.00124  -0.00252   1.19974
   D406      -2.98476   0.00000  -0.00007  -0.00019  -0.00027  -2.98503
   D407       0.85139   0.00000  -0.00145  -0.00140  -0.00285   0.84855
   D408       1.91666   0.00000   0.00008   0.00027   0.00035   1.91701
   D409       2.41327   0.00000   0.00000   0.00015   0.00015   2.41342
   D410       2.64600   0.00000   0.00020   0.00034   0.00054   2.64654
   D411       2.88020  -0.00001   0.00034   0.00044   0.00077   2.88098
   D412       2.84108   0.00000  -0.00034  -0.00029  -0.00063   2.84045
   D413      -2.94133   0.00000   0.00002   0.00006   0.00008  -2.94125
   D414      -0.73838   0.00000   0.00060   0.00086   0.00147  -0.73692
   D415      -0.35912   0.00000   0.00058   0.00085   0.00143  -0.35769
   D416      -0.04577   0.00000   0.00068   0.00101   0.00169  -0.04408
   D417       0.26207   0.00000   0.00064   0.00097   0.00162   0.26369
   D418      -0.22990   0.00000   0.00044   0.00065   0.00108  -0.22882
   D419       0.07748  -0.00001   0.00030   0.00046   0.00075   0.07823
   D420      -2.54945   0.00000   0.00039   0.00058   0.00097  -2.54848
   D421      -2.16793   0.00000   0.00037   0.00059   0.00096  -2.16696
   D422      -1.91697   0.00000   0.00055   0.00080   0.00135  -1.91563
   D423      -1.60046   0.00000   0.00066   0.00090   0.00155  -1.59890
   D424      -1.96029   0.00000   0.00019   0.00038   0.00058  -1.95971
   D425       1.30974   0.00000   0.00023   0.00017   0.00040   1.31014
   D426       2.47500   0.00000   0.00025   0.00025   0.00050   2.47550
   D427       2.95119   0.00000   0.00025   0.00027   0.00052   2.95171
   D428      -3.06997  -0.00002   0.00032   0.00013   0.00045  -3.06952
   D429       0.02822  -0.00002  -0.00016  -0.00036  -0.00052   0.02770
   D430       0.04274  -0.00001   0.00031   0.00008   0.00038   0.04313
   D431       3.14093  -0.00001  -0.00018  -0.00041  -0.00058   3.14035
   D432      -0.08279   0.00000  -0.00018  -0.00031  -0.00049  -0.08328
   D433       2.01684  -0.00001  -0.00017  -0.00033  -0.00049   2.01635
   D434      -2.18006   0.00000  -0.00018  -0.00029  -0.00048  -2.18054
   D435       3.09998   0.00000   0.00028   0.00015   0.00043   3.10041
   D436      -1.08357  -0.00001   0.00029   0.00014   0.00043  -1.08314
   D437       1.00271  -0.00001   0.00028   0.00017   0.00044   1.00315
   D438      -2.36741   0.00000   0.00039   0.00018   0.00057  -2.36685
   D439      -0.27709  -0.00001   0.00039   0.00013   0.00052  -0.27657
   D440       1.83026   0.00000   0.00040   0.00015   0.00054   1.83080
   D441       0.73294   0.00000  -0.00007  -0.00029  -0.00036   0.73258
   D442       2.82327   0.00000  -0.00007  -0.00033  -0.00041   2.82286
   D443      -1.35257   0.00000  -0.00006  -0.00032  -0.00038  -1.35295
   D444      -0.00156   0.00000   0.00001   0.00016   0.00017  -0.00139
   D445       3.11316  -0.00001  -0.00015  -0.00029  -0.00044   3.11272
   D446      -3.12126   0.00001   0.00003   0.00021   0.00023  -3.12102
   D447      -0.00654   0.00000  -0.00013  -0.00024  -0.00038  -0.00692
   D448       2.41402   0.00000  -0.00047  -0.00051  -0.00098   2.41305
   D449      -1.78571   0.00000  -0.00052  -0.00057  -0.00110  -1.78680
   D450       0.32142   0.00001  -0.00055  -0.00058  -0.00113   0.32028
   D451      -0.70199   0.00000  -0.00031  -0.00008  -0.00040  -0.70239
   D452       1.38147   0.00000  -0.00037  -0.00015  -0.00052   1.38095
   D453      -2.79459   0.00002  -0.00040  -0.00015  -0.00055  -2.79515
   D454       2.05412   0.00000   0.00015   0.00023   0.00037   2.05450
   D455      -2.14527   0.00000   0.00006   0.00013   0.00019  -2.14508
   D456      -0.05203   0.00000   0.00009   0.00018   0.00027  -0.05176
   D457      -1.11301  -0.00001  -0.00001  -0.00020  -0.00020  -1.11321
   D458       0.97079  -0.00001  -0.00009  -0.00030  -0.00039   0.97040
   D459       3.06402  -0.00001  -0.00006  -0.00024  -0.00031   3.06372
   D460      -3.08066  -0.00003   0.00012  -0.00010   0.00002  -3.08063
   D461      -0.02515  -0.00002   0.00007   0.00009   0.00016  -0.02499
   D462       0.07349   0.00000   0.00009   0.00000   0.00009   0.07358
   D463       3.12899   0.00001   0.00004   0.00019   0.00023   3.12922
   D464       1.92600   0.00001  -0.00056  -0.00026  -0.00082   1.92517
   D465      -2.27430   0.00001  -0.00050  -0.00025  -0.00075  -2.27505
   D466      -0.18170   0.00001  -0.00059  -0.00028  -0.00087  -0.18256
   D467      -1.13290   0.00000  -0.00051  -0.00044  -0.00095  -1.13385
   D468       0.94999   0.00000  -0.00044  -0.00044  -0.00088   0.94911
   D469       3.04259   0.00000  -0.00053  -0.00046  -0.00100   3.04160
   D470      -1.63290   0.00000  -0.00022  -0.00046  -0.00068  -1.63358
   D471       0.47171   0.00000  -0.00020  -0.00041  -0.00061   0.47110
   D472       2.56262  -0.00001  -0.00020  -0.00045  -0.00065   2.56198
   D473       1.42639   0.00001  -0.00028  -0.00028  -0.00055   1.42583
   D474      -2.75218   0.00001  -0.00026  -0.00023  -0.00049  -2.75267
   D475      -0.66127   0.00000  -0.00026  -0.00026  -0.00052  -0.66179
   D476       0.00313   0.00001   0.00001  -0.00012  -0.00010   0.00302
   D477      -3.04512   0.00001  -0.00012   0.00001  -0.00012  -3.04523
   D478       3.11638  -0.00001   0.00000  -0.00016  -0.00016   3.11622
   D479       0.06814  -0.00001  -0.00013  -0.00004  -0.00017   0.06797
   D480      -0.30722   0.00001   0.00012   0.00030   0.00041  -0.30681
   D481       1.80144  -0.00001   0.00024   0.00036   0.00060   1.80204
   D482      -2.39845   0.00000   0.00014   0.00028   0.00042  -2.39803
   D483       2.74578   0.00001   0.00025   0.00018   0.00043   2.74622
   D484      -1.42875  -0.00001   0.00038   0.00025   0.00062  -1.42812
   D485       0.65456   0.00000   0.00027   0.00017   0.00044   0.65499
   D486      -0.08655   0.00001   0.00055   0.00019   0.00074  -0.08581
   D487       2.00909  -0.00001   0.00065   0.00023   0.00088   2.00996
   D488      -2.19023   0.00000   0.00059   0.00021   0.00080  -2.18943
   D489      -3.13960   0.00001   0.00042   0.00030   0.00072  -3.13888
   D490      -1.04396  -0.00001   0.00051   0.00035   0.00086  -1.04310
   D491       1.03991   0.00000   0.00046   0.00032   0.00078   1.04069
         Item               Value     Threshold  Converged?
 Maximum Force            0.000035     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.007008     0.001800     NO 
 RMS     Displacement     0.001020     0.001200     YES
 Predicted change in Energy=-1.522503D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:42:48 2016, MaxMem=  2952790016 cpu:         8.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.812767   -0.588110    1.666255
      2          6           0       -2.071595    1.122336   -1.362281
      3          8           0       -2.620124    0.142045   -1.895300
      4          7           0       -0.778009    1.172314   -0.942587
      5          1           0       -2.622020    2.061308   -1.152472
      6          6           0       -0.241158    2.340574   -0.244039
      7          1           0       -1.000739    3.134006   -0.212752
      8          1           0        0.042313    2.063043    0.784204
      9          1           0        0.653331    2.712303   -0.770107
     10          6           0        0.135049    0.040128   -1.116823
     11          1           0        0.703742   -0.111501   -0.185978
     12          1           0       -0.444549   -0.864377   -1.343234
     13          1           0        0.844552    0.239881   -1.936770
     14          6           0       -2.022071   -3.989772    2.640406
     15          8           0       -2.151149   -3.827784    3.865951
     16          7           0       -2.954382   -3.680728    1.698439
     17          1           0       -1.091329   -4.395527    2.196337
     18          6           0       -4.252829   -3.105327    2.057177
     19          1           0       -4.501683   -2.308733    1.338038
     20          1           0       -5.042296   -3.874479    2.018935
     21          1           0       -4.198867   -2.685631    3.069746
     22          6           0       -2.697291   -3.875109    0.271239
     23          1           0       -3.406080   -4.607531   -0.148900
     24          1           0       -2.826488   -2.918164   -0.260992
     25          1           0       -1.669092   -4.234847    0.126165
     26          6           0        1.578608    0.368938    2.602319
     27          8           0        1.423563    1.388938    3.294834
     28          7           0        1.187939   -0.887915    2.948966
     29          1           0        2.054819    0.403467    1.602600
     30          6           0        1.480201   -2.043634    2.100057
     31          1           0        2.230852   -2.693550    2.580474
     32          1           0        0.561737   -2.631867    1.943302
     33          1           0        1.859310   -1.699314    1.128053
     34          6           0        0.549821   -1.154485    4.240615
     35          1           0        1.298689   -1.459452    4.991488
     36          1           0        0.036540   -0.247756    4.585382
     37          1           0       -0.179487   -1.968086    4.117746
     38          6           0       -4.607782    1.077835    2.897117
     39          8           0       -4.853950    1.653286    1.823144
     40          7           0       -3.541766    1.334661    3.703320
     41          1           0       -5.246061    0.258860    3.285538
     42          6           0       -2.548271    2.357891    3.365984
     43          1           0       -2.625981    2.607899    2.299874
     44          1           0       -2.706641    3.266410    3.970153
     45          1           0       -1.543069    1.963792    3.579627
     46          6           0       -3.264032    0.527603    4.891752
     47          1           0       -4.070999   -0.202505    5.042251
     48          1           0       -2.307884   -0.007421    4.761534
     49          1           0       -3.185859    1.176219    5.779115
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487785   0.000000
     3  O    3.724194   1.243368   0.000000
     4  N    3.312985   1.360884   2.315708   0.000000
     5  H    3.952155   1.108448   2.058000   2.057848   0.000000
     6  C    3.833584   2.466793   3.635887   1.463219   2.563542
     7  H    4.247847   2.552444   3.795419   2.104877   2.159238
     8  H    3.353795   3.156094   4.237752   2.109059   3.293840
     9  H    4.786462   3.209967   4.311356   2.109515   3.361238
    10  C    3.454590   2.469960   2.864855   1.464882   3.418753
    11  H    3.160813   3.257074   3.746218   2.101481   4.088508
    12  H    3.317434   2.568009   2.459836   2.102337   3.652041
    13  H    4.552878   3.100432   3.466305   2.119089   3.993726
    14  C    3.544585   6.492889   6.164593   6.405674   7.166689
    15  O    3.930477   7.200307   7.012238   7.071670   7.751624
    16  N    3.296757   5.763396   5.257402   5.938318   6.419434
    17  H    3.911250   6.638636   6.298275   6.399364   7.432916
    18  C    3.527479   5.858635   5.369658   6.274645   6.297261
    19  H    3.209134   4.996927   4.472253   5.584324   5.369639
    20  H    4.621090   6.725017   6.109061   7.240502   7.151862
    21  H    3.473163   6.218422   5.927889   6.533362   6.545762
    22  C    3.678697   5.294746   4.564797   5.534753   6.105216
    23  H    4.689262   6.007039   5.121143   6.398695   6.789353
    24  H    3.189211   4.255390   3.475404   4.625240   5.062774
    25  H    3.961213   5.574664   4.914058   5.583336   6.494963
    26  C    3.646036   5.441474   6.157061   4.331907   5.882843
    27  O    4.127325   5.828887   6.696539   4.780123   6.049575
    28  N    3.277113   5.766500   6.247326   4.822207   6.327361
    29  H    3.993181   5.131723   5.844548   3.885102   5.675534
    30  C    3.626344   5.884420   6.128029   4.969861   6.652647
    31  H    4.649680   6.972614   7.183670   6.034078   7.752027
    32  H    3.145150   5.652907   5.705584   4.959341   6.461116
    33  H    3.874092   5.442011   5.709343   4.414663   6.278964
    34  C    3.539764   6.591523   7.027019   5.834613   7.034720
    35  H    4.636548   7.641651   8.083919   6.815579   8.094193
    36  H    3.472331   6.457250   7.014916   5.765286   6.732213
    37  H    3.252959   6.569739   6.823934   5.985591   7.069454
    38  C    3.478865   4.957489   5.271977   5.423966   4.616237
    39  O    3.781172   4.262668   4.593544   4.949130   3.741962
    40  N    3.291827   5.278902   5.797957   5.408249   4.995264
    41  H    3.889338   5.694300   5.809498   6.218917   5.461716
    42  C    3.479794   4.910225   5.709312   4.806580   4.528780
    43  H    3.358163   3.990692   4.866205   3.998682   3.495350
    44  H    4.578676   5.782317   6.646253   5.678016   5.263147
    45  H    3.200927   5.040818   5.869722   4.654264   4.854524
    46  C    3.708749   6.394415   6.828422   6.374596   6.268738
    47  H    4.079909   6.838922   7.096011   6.967940   6.752702
    48  H    3.187961   6.231637   6.665829   6.022399   6.273260
    49  H    4.681224   7.228003   7.764420   7.139960   7.010577
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098853   0.000000
     8  H    1.102117   1.796897   0.000000
     9  H    1.102288   1.795668   1.791861   0.000000
    10  C    2.489043   3.417520   2.777533   2.743966   0.000000
    11  H    2.628474   3.665963   2.471311   2.884028   1.101306
    12  H    3.394305   4.192184   3.651412   3.785030   1.097872
    13  H    2.908095   3.841002   3.372122   2.740537   1.102547
    14  C    7.180874   7.741567   6.659109   7.981679   5.916928
    15  O    7.654327   8.150201   7.000734   8.492990   6.709357
    16  N    6.884103   7.342341   6.542698   7.744685   5.595985
    17  H    7.214796   7.906060   6.707636   7.897143   5.670632
    18  C    7.144714   7.393102   6.839645   8.118421   6.262718
    19  H    6.501622   6.654695   6.329854   7.498616   5.748284
    20  H    8.173058   8.392466   7.914037   9.143557   7.208469
    21  H    7.204677   7.407496   6.764704   8.211333   6.613619
    22  C    6.703194   7.227741   6.559741   7.463583   5.027718
    23  H    7.635571   8.106858   7.566944   8.393133   5.922601
    24  H    5.859910   6.321745   5.842506   6.638562   4.272545
    25  H    6.738857   7.406859   6.559369   7.379691   4.803681
    26  C    3.911604   4.714155   2.921598   4.209603   4.002998
    27  O    4.024988   4.607131   2.943728   4.343765   4.789809
    28  N    4.760330   5.564407   3.834946   5.203737   4.301219
    29  H    3.526183   4.481939   2.733888   3.595084   3.348551
    30  C    5.261097   6.189677   4.545743   5.616092   4.061996
    31  H    6.279419   7.225351   5.535473   6.552726   5.053255
    32  H    5.491290   6.350999   4.863690   5.994258   4.084848
    33  H    4.755554   5.773961   4.192260   4.951744   3.322379
    34  C    5.740488   6.373999   4.749403   6.330095   5.504660
    35  H    6.649968   7.312410   5.629182   7.142549   6.396426
    36  H    5.486335   5.961070   4.448458   6.150093   5.710317
    37  H    6.131355   6.742330   5.235618   6.818411   5.615387
    38  C    5.525286   5.187474   5.201770   6.618106   6.299444
    39  O    5.101319   4.602678   5.022020   6.178722   6.011305
    40  N    5.242854   5.003008   4.679466   6.285562   6.199078
    41  H    6.468424   6.207033   6.121981   7.567725   6.955931
    42  C    4.284314   3.975496   3.669285   5.242434   5.715575
    43  H    3.497190   3.038337   3.116716   4.493281   5.088276
    44  H    4.969426   4.519328   4.376655   5.836652   6.660437
    45  H    4.056767   4.005704   3.215226   4.929972   5.345391
    46  C    6.229044   6.162126   5.491944   7.223247   6.920575
    47  H    7.005697   6.940739   6.339006   8.037344   7.462165
    48  H    5.902559   6.026667   5.062549   6.838475   6.365946
    49  H    6.804805   6.671593   6.013043   7.745401   7.737771
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795726   0.000000
    13  H    1.791248   1.798180   0.000000
    14  C    5.519012   5.303401   6.859886   0.000000
    15  O    6.195102   6.231361   7.693613   1.242924   0.000000
    16  N    5.447226   4.845912   6.558797   1.360887   2.316228
    17  H    5.220209   5.041419   6.505168   1.108203   2.057464
    18  C    6.209858   5.575630   7.288712   2.469551   2.865426
    19  H    5.852085   5.073039   6.767720   3.266578   3.771322
    20  H    7.213779   6.442374   8.199424   3.085657   3.431090
    21  H    6.423509   6.073407   7.685044   2.573627   2.476207
    22  C    5.093213   4.092173   5.861151   2.466175   3.636270
    23  H    6.091494   4.920193   6.690422   3.174482   4.278070
    24  H    4.510600   3.326098   5.124258   3.195863   4.279620
    25  H    4.767573   3.875397   5.531482   2.550699   3.792634
    26  C    2.961556   4.602349   4.599872   5.653733   5.755026
    27  O    3.858174   5.484427   5.387510   6.421152   6.349718
    28  N    3.265753   4.592227   5.025958   4.474471   4.542378
    29  H    2.299916   4.065981   3.744148   6.082650   6.380941
    30  C    3.092246   4.117227   4.681288   4.042938   4.414553
    31  H    4.080723   5.089118   5.561684   4.446475   4.705408
    32  H    3.302460   3.864964   4.835481   3.000988   3.533631
    33  H    2.362873   3.480251   3.766079   4.753791   5.301910
    34  C    4.550411   5.679111   6.339654   4.148994   3.818657
    35  H    5.383038   6.597098   7.148058   4.791405   4.333268
    36  H    4.819710   5.979979   6.590079   4.692920   4.256779
    37  H    4.769596   5.577699   6.525407   3.108836   2.722008
    38  C    6.255580   6.251822   7.334615   5.694949   5.571245
    39  O    6.167574   5.983928   6.971914   6.366440   6.443625
    40  N    5.936528   6.316346   7.228343   5.638160   5.348934
    41  H    6.898460   6.763262   8.022994   5.372260   5.159071
    42  C    5.412017   6.081562   6.642020   6.410630   6.218540
    43  H    4.966050   5.485215   5.966679   6.633998   6.640487
    44  H    6.349363   7.100179   7.527456   7.408714   7.116671
    45  H    4.851266   5.782720   6.253259   6.046198   5.830445
    46  C    6.475726   6.982990   7.974457   5.197856   4.610875
    47  H    7.081018   7.373170   8.547812   4.930554   4.267570
    48  H    5.792979   6.440077   7.407178   4.521062   3.927061
    49  H    7.236681   7.899789   8.755331   6.155758   5.456268
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056649   0.000000
    18  C    1.464836   3.417464   0.000000
    19  H    2.099143   4.089242   1.101659   0.000000
    20  H    2.121237   3.989123   1.102867   1.790934   0.000000
    21  H    2.102247   3.652859   1.097430   1.797933   1.796924
    22  C    1.463140   2.560459   2.490349   2.616758   2.924635
    23  H    2.115575   3.301993   2.800067   2.948865   2.813197
    24  H    2.106473   3.351394   2.728257   2.394699   3.320002
    25  H    2.105009   2.155282   3.417648   3.633473   3.884707
    26  C    6.145306   5.476633   6.809798   6.763007   7.885639
    27  O    6.885955   6.402453   7.345178   7.253299   8.434382
    28  N    5.149994   4.250277   5.942572   6.081580   6.971396
    29  H    6.463894   5.768979   7.232199   7.100264   8.297181
    30  C    4.744144   3.486178   5.830666   6.036049   6.775068
    31  H    5.351556   3.752489   6.517785   6.857022   7.389763
    32  H    3.677385   2.430463   4.839130   5.109695   5.740645
    33  H    5.236695   4.137278   6.340220   6.393569   7.290898
    34  C    5.012384   4.168549   5.624823   5.939271   6.603485
    35  H    5.819523   4.705910   6.491413   6.907481   7.407869
    36  H    5.391229   4.917685   5.740751   5.948810   6.747915
    37  H    4.060323   3.227342   4.704400   5.150164   5.629054
    38  C    5.178270   6.543257   4.281394   3.729722   5.048309
    39  O    5.663533   7.133352   4.802136   4.007120   5.534437
    40  N    5.433111   6.411762   4.788413   4.448632   5.676609
    41  H    4.826078   6.333361   3.716602   3.307474   4.327851
    42  C    6.277782   7.007097   5.870711   5.450299   6.846688
    43  H    6.325851   7.170344   5.945291   5.349453   6.923780
    44  H    7.313328   8.028756   6.830022   6.421247   7.762398
    45  H    6.114841   6.523687   5.946144   5.659734   6.983249
    46  C    5.291803   6.018563   4.712825   4.712267   5.549201
    47  H    4.952368   5.878698   4.167746   4.282859   4.854612
    48  H    4.826354   5.226444   4.548998   4.672164   5.472934
    49  H    6.347868   6.947496   5.772598   5.796503   6.564668
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391346   0.000000
    23  H    3.831696   1.102425   0.000000
    24  H    3.609891   1.102590   1.789539   0.000000
    25  H    4.179055   1.098932   1.797688   1.795302   0.000000
    26  C    6.551954   6.459812   7.561849   6.197456   6.154163
    27  O    6.947265   7.337148   8.434594   7.018401   7.157648
    28  N    5.680146   5.584672   6.673629   5.526425   5.228076
    29  H    7.127667   6.531561   7.615725   6.191395   6.128730
    30  C    5.796919   4.914297   5.958785   4.988680   4.314593
    31  H    6.448312   5.569132   6.548878   5.805262   4.858887
    32  H    4.892353   3.868166   4.901442   4.052277   3.293650
    33  H    6.437741   5.121604   6.149200   5.037038   4.458960
    34  C    5.124976   5.805297   6.844014   5.896990   5.598295
    35  H    5.951448   6.639579   7.646493   6.836189   6.338920
    36  H    5.116548   6.264451   7.298815   6.230197   6.220184
    37  H    4.215281   4.977116   5.965051   5.204095   4.825955
    38  C    3.789550   5.922572   6.560921   5.395801   6.673729
    39  O    4.561727   6.133737   6.721838   5.417783   6.906023
    40  N    4.122615   6.295556   7.082913   5.857809   6.879125
    41  H    3.132604   5.715936   6.233992   5.340945   6.555131
    42  C    5.315011   6.960599   7.849035   6.408520   7.398214
    43  H    5.575673   6.793367   7.659469   6.093899   7.243190
    44  H    6.201956   8.042595   8.913739   7.494392   8.492443
    45  H    5.378697   6.809583   7.781710   6.342793   7.096859
    46  C    3.810315   6.407356   7.197079   6.214140   6.923553
    47  H    3.173806   6.175569   6.840645   6.086707   6.796826
    48  H    3.689279   5.939141   6.817581   5.828134   6.306016
    49  H    4.825013   7.489413   8.285024   7.305889   7.970951
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242584   0.000000
    28  N    1.361053   2.314995   0.000000
    29  H    1.107885   2.057497   2.057146   0.000000
    30  C    2.466263   3.635003   1.463472   2.562411   0.000000
    31  H    3.131251   4.222408   2.117492   3.252497   1.103026
    32  H    3.236226   4.328539   2.108283   3.399798   1.101892
    33  H    2.555371   3.797646   2.103529   2.164511   1.098668
    34  C    2.462363   2.850776   1.465132   3.413409   2.497635
    35  H    3.021505   3.317763   2.123868   3.940402   2.955434
    36  H    2.586662   2.503620   2.100805   3.659854   3.389126
    37  H    3.293797   3.810060   2.098254   4.116108   2.613683
    38  C    6.233847   6.052444   6.120232   6.820616   6.887845
    39  O    6.605638   6.453132   6.650533   7.024370   7.339302
    40  N    5.325697   4.982399   5.280057   6.049952   6.261268
    41  H    6.859665   6.764691   6.544061   7.493734   7.207596
    42  C    4.644378   4.088936   4.966732   5.302617   6.099556
    43  H    4.773152   4.344493   5.214213   5.220690   6.207851
    44  H    5.350670   4.586888   5.785239   6.039309   7.015944
    45  H    3.639170   3.035205   3.998546   4.391817   5.233427
    46  C    5.358903   5.026489   5.059462   6.254927   6.075572
    47  H    6.180442   5.981334   5.701584   7.051528   6.546914
    48  H    4.461914   4.245553   4.035028   5.401933   5.057590
    49  H    5.783068   5.240580   5.603615   6.745749   6.758331
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787662   0.000000
    33  H    1.798909   1.793873   0.000000
    34  C    2.819691   2.731382   3.420475   0.000000
    35  H    2.864422   3.347999   3.911261   1.103458   0.000000
    36  H    3.849230   3.597278   4.169249   1.097488   1.796149
    37  H    2.949447   2.391281   3.628663   1.099516   1.790849
    38  C    7.816042   6.433940   7.257095   5.778330   6.760963
    39  O    8.346432   6.906999   7.535976   6.551983   7.588314
    40  N    7.128140   5.972416   6.708848   4.819296   5.735543
    41  H    8.069576   6.624834   7.679550   6.041686   6.978296
    42  C    6.998150   6.049286   6.395000   4.764445   5.658046
    43  H    7.195340   6.143601   6.327961   5.292232   6.260285
    44  H    7.863279   7.041313   7.320100   5.497454   6.278500
    45  H    6.077139   5.312989   5.568191   3.813233   4.667713
    46  C    6.775809   5.771666   6.735966   4.218871   4.977626
    47  H    7.209644   6.080093   7.261539   4.785484   5.515074
    48  H    5.707227   4.802591   5.781885   3.123074   3.894694
    49  H    7.385606   6.577192   7.440081   4.664168   5.261016
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795797   0.000000
    38  C    5.116361   5.511566   0.000000
    39  O    5.929655   6.342722   1.243045   0.000000
    40  N    4.010779   4.731258   1.360997   2.314824   0.000000
    41  H    5.463710   5.596609   1.108599   2.058342   2.058279
    42  C    3.867503   4.989024   2.469810   2.862338   1.465546
    43  H    4.524083   5.498147   2.573971   2.470304   2.104627
    44  H    4.500323   5.814485   3.091214   3.438423   2.121387
    45  H    2.897870   4.196260   3.262393   3.760795   2.099022
    46  C    3.404236   4.042520   2.467182   3.634743   1.463164
    47  H    4.133116   4.372168   2.555192   3.797318   2.106111
    48  H    2.363285   2.964582   3.153310   4.227829   2.107953
    49  H    3.719752   4.656723   3.215191   4.319702   2.112036
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419133   0.000000
    43  H    3.654359   1.097786   0.000000
    44  H    3.995336   1.102500   1.797213   0.000000
    45  H    4.087228   1.100631   1.795923   1.789755   0.000000
    46  C    2.565265   2.488019   3.384165   2.942973   2.597312
    47  H    2.163255   3.418215   4.184146   3.878690   3.636281
    48  H    3.298842   2.756818   3.605669   3.391645   2.422298
    49  H    3.362128   2.761533   3.803720   2.805511   2.856007
                   46         47         48         49
    46  C    0.000000
    47  H    1.098591   0.000000
    48  H    1.103371   1.795949   0.000000
    49  H    1.101919   1.796474   1.790898   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2146880      0.1950289      0.1842793
 Leave Link  202 at Mon Nov 14 04:42:48 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.3118452558 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1843887871 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.1274564687 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4033
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.14D-08
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.18%
 GePol: Cavity surface area                          =    468.439 Ang**2
 GePol: Cavity volume                                =    458.508 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040366052 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.1234198635 Hartrees.
 Leave Link  301 at Mon Nov 14 04:42:48 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11986 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:42:49 2016, MaxMem=  2952790016 cpu:        13.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:42:49 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000759   -0.000475   -0.000340
         Rot=    1.000000    0.000038    0.000005    0.000023 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:42:50 2016, MaxMem=  2952790016 cpu:         6.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48795267.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.88D-15 for   2665.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.08D-15 for   1626   1079.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.99D-15 for   2665.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.85D-11 for   1681   1680.
 E= -1013.45141049202    
 DIIS: error= 6.21D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45141049202     IErMin= 1 ErrMin= 6.21D-05
 ErrMax= 6.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.80D-06 BMatP= 4.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.13D-05 MaxDP=3.59D-04              OVMax= 4.73D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.13D-05    CP:  1.00D+00
 E= -1013.45141775381     Delta-E=       -0.000007261799 Rises=F Damp=F
 DIIS: error= 1.05D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141775381     IErMin= 2 ErrMin= 1.05D-05
 ErrMax= 1.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.68D-08 BMatP= 4.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.246D-01 0.975D+00
 Coeff:      0.246D-01 0.975D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.76D-06 MaxDP=2.29D-04 DE=-7.26D-06 OVMax= 2.35D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.71D-06    CP:  1.00D+00  9.59D-01
 E= -1013.45141735117     Delta-E=        0.000000402642 Rises=F Damp=F
 DIIS: error= 2.88D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141775381     IErMin= 2 ErrMin= 1.05D-05
 ErrMax= 2.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-07 BMatP= 9.68D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.215D-02 0.720D+00 0.277D+00
 Coeff:      0.215D-02 0.720D+00 0.277D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.08D-06 MaxDP=1.84D-04 DE= 4.03D-07 OVMax= 2.10D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.30D-07    CP:  1.00D+00  9.72D-01  2.87D-01
 E= -1013.45141783092     Delta-E=       -0.000000479752 Rises=F Damp=F
 DIIS: error= 4.26D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141783092     IErMin= 4 ErrMin= 4.26D-06
 ErrMax= 4.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.21D-09 BMatP= 9.68D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.518D-04 0.248D+00 0.147D+00 0.605D+00
 Coeff:     -0.518D-04 0.248D+00 0.147D+00 0.605D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.33D-07 MaxDP=2.32D-05 DE=-4.80D-07 OVMax= 3.08D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.82D-07    CP:  1.00D+00  9.76D-01  3.20D-01  6.44D-01
 E= -1013.45141783841     Delta-E=       -0.000000007489 Rises=F Damp=F
 DIIS: error= 1.77D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141783841     IErMin= 5 ErrMin= 1.77D-06
 ErrMax= 1.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-09 BMatP= 9.21D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.909D-05 0.136D+00 0.853D-01 0.395D+00 0.384D+00
 Coeff:     -0.909D-05 0.136D+00 0.853D-01 0.395D+00 0.384D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.27D-08 MaxDP=7.63D-06 DE=-7.49D-09 OVMax= 6.44D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.47D-08    CP:  1.00D+00  9.76D-01  3.18D-01  6.64D-01  6.70D-01
 E= -1013.45141783940     Delta-E=       -0.000000000990 Rises=F Damp=F
 DIIS: error= 1.76D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141783940     IErMin= 6 ErrMin= 1.76D-07
 ErrMax= 1.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-11 BMatP= 1.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.198D-04 0.369D-01 0.240D-01 0.117D+00 0.159D+00 0.663D+00
 Coeff:     -0.198D-04 0.369D-01 0.240D-01 0.117D+00 0.159D+00 0.663D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.59D-08 MaxDP=8.80D-07 DE=-9.90D-10 OVMax= 8.02D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.43D-08    CP:  1.00D+00  9.76D-01  3.19D-01  6.68D-01  6.67D-01
                    CP:  8.95D-01
 E= -1013.45141783933     Delta-E=        0.000000000073 Rises=F Damp=F
 DIIS: error= 6.26D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -1013.45141783940     IErMin= 7 ErrMin= 6.26D-08
 ErrMax= 6.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.05D-12 BMatP= 1.69D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.135D-04 0.884D-02 0.608D-02 0.312D-01 0.566D-01 0.385D+00
 Coeff-Com:  0.512D+00
 Coeff:     -0.135D-04 0.884D-02 0.608D-02 0.312D-01 0.566D-01 0.385D+00
 Coeff:      0.512D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.05D-09 MaxDP=2.46D-07 DE= 7.32D-11 OVMax= 3.17D-07

 Error on total polarization charges =  0.04316
 SCF Done:  E(RB97D) =  -1013.45141784     A.U. after    7 cycles
            NFock=  7  Conv=0.60D-08     -V/T= 2.0213
 KE= 9.923507066932D+02 PE=-6.029788481636D+03 EE= 2.174862937240D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:44:19 2016, MaxMem=  2952790016 cpu:      1003.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11986 LenP2D=   37499.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:44:27 2016, MaxMem=  2952790016 cpu:        97.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:44:27 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:45:04 2016, MaxMem=  2952790016 cpu:       440.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23987255D+00-2.54134231D+00 3.31934256D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000077039   -0.000086190   -0.000136635
      2        6           0.000076800    0.000030782    0.000033936
      3        8           0.000013335    0.000029953   -0.000026052
      4        7          -0.000027247    0.000000121    0.000016986
      5        1           0.000009378    0.000021605    0.000014653
      6        6           0.000041096    0.000047663    0.000060653
      7        1           0.000009840    0.000013441    0.000030354
      8        1          -0.000030389    0.000041618   -0.000016283
      9        1           0.000008274    0.000001039    0.000031794
     10        6           0.000059767    0.000003549    0.000009558
     11        1           0.000001189    0.000051349    0.000025480
     12        1           0.000009929    0.000029610    0.000002884
     13        1           0.000020642    0.000026722    0.000020662
     14        6           0.000021092    0.000004663    0.000039146
     15        8          -0.000010381   -0.000014283   -0.000022635
     16        7          -0.000009071   -0.000019978   -0.000008598
     17        1           0.000000123    0.000008191   -0.000031292
     18        6          -0.000054702    0.000025686    0.000013645
     19        1          -0.000001299    0.000032690   -0.000023547
     20        1           0.000005448    0.000000002   -0.000048424
     21        1           0.000016744    0.000007135   -0.000043638
     22        6           0.000026676    0.000034866   -0.000100246
     23        1           0.000022939   -0.000005817   -0.000014847
     24        1           0.000029461    0.000000535   -0.000016063
     25        1           0.000015388    0.000018705   -0.000019723
     26        6           0.000015069   -0.000004549    0.000030987
     27        8          -0.000046388    0.000007514    0.000033521
     28        7           0.000043845    0.000030589    0.000019950
     29        1          -0.000013709   -0.000003279    0.000018576
     30        6          -0.000027004   -0.000044623   -0.000027255
     31        1          -0.000000950    0.000018563    0.000029536
     32        1          -0.000001195    0.000000250    0.000029833
     33        1           0.000018603    0.000005948    0.000020711
     34        6           0.000001984   -0.000060840    0.000010029
     35        1          -0.000018589   -0.000017066    0.000004052
     36        1          -0.000038476   -0.000020411   -0.000007382
     37        1          -0.000009232   -0.000019072    0.000007292
     38        6          -0.000082229    0.000004353   -0.000068879
     39        8           0.000026066   -0.000014710    0.000021780
     40        7           0.000059180    0.000009436    0.000032034
     41        1           0.000005058   -0.000017062   -0.000009989
     42        6           0.000055211   -0.000045923    0.000000894
     43        1          -0.000005150    0.000029443    0.000023361
     44        1          -0.000070745   -0.000019254    0.000022140
     45        1           0.000002663   -0.000001704    0.000012850
     46        6          -0.000039729   -0.000008076    0.000042973
     47        1          -0.000014574   -0.000033207   -0.000029855
     48        1          -0.000016437   -0.000068946   -0.000005728
     49        1          -0.000021264   -0.000031030   -0.000003201
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000136635 RMS     0.000032958
 Leave Link  716 at Mon Nov 14 04:45:04 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000040516 RMS     0.000006524
 Search for a local minimum.
 Step number 105 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .65238D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   68   75   76   79   80
                                                     81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
                                                    101  102  103  104  105
 DE= -2.94D-07 DEPred=-1.52D-07 R= 1.93D+00
 Trust test= 1.93D+00 RLast= 2.65D-02 DXMaxT set to 3.55D-01
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1
 ITU= -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1
 ITU=  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00007   0.00052   0.00096   0.00100
     Eigenvalues ---    0.00116   0.00162   0.00183   0.00211   0.00228
     Eigenvalues ---    0.00248   0.00290   0.00377   0.00438   0.00454
     Eigenvalues ---    0.00572   0.00704   0.00717   0.00800   0.00836
     Eigenvalues ---    0.00847   0.00937   0.01047   0.01063   0.01143
     Eigenvalues ---    0.01212   0.01236   0.01265   0.01326   0.01484
     Eigenvalues ---    0.01559   0.01586   0.01731   0.01755   0.01809
     Eigenvalues ---    0.01833   0.01884   0.01912   0.01948   0.02065
     Eigenvalues ---    0.02142   0.02277   0.02349   0.02430   0.02517
     Eigenvalues ---    0.02551   0.02891   0.03008   0.03096   0.03249
     Eigenvalues ---    0.03879   0.04367   0.04529   0.05125   0.05640
     Eigenvalues ---    0.05856   0.05961   0.06259   0.06283   0.06515
     Eigenvalues ---    0.06706   0.06747   0.06921   0.07423   0.07477
     Eigenvalues ---    0.07544   0.07934   0.08018   0.08115   0.08268
     Eigenvalues ---    0.08362   0.08570   0.08872   0.09022   0.09276
     Eigenvalues ---    0.09433   0.09499   0.09543   0.09820   0.09950
     Eigenvalues ---    0.10106   0.10398   0.10630   0.10711   0.10873
     Eigenvalues ---    0.11244   0.11336   0.11507   0.12875   0.13233
     Eigenvalues ---    0.13466   0.14390   0.14971   0.15127   0.15370
     Eigenvalues ---    0.15513   0.17093   0.20988   0.22434   0.23385
     Eigenvalues ---    0.23664   0.24699   0.24850   0.26207   0.26826
     Eigenvalues ---    0.27098   0.27993   0.28563   0.29265   0.29668
     Eigenvalues ---    0.29907   0.30841   0.32814   0.32827   0.32851
     Eigenvalues ---    0.32926   0.33298   0.33358   0.33366   0.33388
     Eigenvalues ---    0.33421   0.33440   0.33519   0.33651   0.33733
     Eigenvalues ---    0.33801   0.33823   0.33875   0.33922   0.33973
     Eigenvalues ---    0.34041   0.34230   0.34300   0.37239   0.39877
     Eigenvalues ---    0.40365   0.42704   0.85950   0.86176   0.86609
     Eigenvalues ---    0.89369
 Eigenvalue     1 is   5.07D-06 Eigenvector:
                         D147       D54      D273      D146      D104
   1                   -0.15920   0.12968   0.11495  -0.11009  -0.10912
                         D103       D53      D391      D148      D149
   1                   -0.10473   0.10053   0.09883  -0.09804  -0.09747
 Eigenvalue     2 is   6.69D-05 Eigenvector:
                         D399      D381      D397      D407      D405
   1                   -0.23421  -0.22776  -0.22577  -0.22274  -0.22170
                         D383      D403      D395      D385      D387
   1                   -0.22135  -0.22041  -0.22035  -0.21988  -0.21864
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   105  104  103  102  101
 RFO step:  Lambda=-1.19403700D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.07D-07 SmlDif=  1.00D-05
 RMS Error=  0.4240322935D-04 NUsed= 5 EDIIS=F
 Point number   4 has GDIIS coefficient -1.57D+01 and has been removed
 DidBck=F Rises=F RFO-DIIS coefs:    3.73116   -3.71526    2.20440    0.00000   -1.22029
 Iteration  1 RMS(Cart)=  0.00613433 RMS(Int)=  0.00004600
 Iteration  2 RMS(Cart)=  0.00002743 RMS(Int)=  0.00002771
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002771
 ITry= 1 IFail=0 DXMaxC= 4.31D-02 DCOld= 1.00D+10 DXMaxT= 3.55D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59096   0.00001  -0.00307  -0.00218  -0.00526   6.58570
    R2        6.26063   0.00000  -0.00090   0.00034  -0.00054   6.26009
    R3        7.24442   0.00000  -0.00502  -0.00346  -0.00846   7.23597
    R4        6.33775   0.00001  -0.00626  -0.00529  -0.01155   6.32620
    R5        6.52823   0.00001   0.00022   0.00077   0.00099   6.52922
    R6        5.97307  -0.00001  -0.00016  -0.00011  -0.00026   5.97281
    R7        6.69830  -0.00001  -0.00315  -0.00279  -0.00592   6.69237
    R8        6.22997  -0.00001   0.00016  -0.00005   0.00012   6.23008
    R9        6.66597  -0.00001   0.00176   0.00029   0.00203   6.66800
   R10        6.06438  -0.00001  -0.00081  -0.00131  -0.00213   6.06225
   R11        6.95173   0.00000  -0.00129  -0.00167  -0.00295   6.94878
   R12        6.02673   0.00000  -0.00085  -0.00102  -0.00187   6.02486
   R13        6.89001  -0.00002   0.00079  -0.00003   0.00075   6.89076
   R14        6.19285   0.00001  -0.00055   0.00041  -0.00015   6.19269
   R15        6.85280   0.00002  -0.00483  -0.00325  -0.00811   6.84469
   R16        5.94347   0.00001  -0.00318  -0.00155  -0.00471   5.93876
   R17        6.68919   0.00000   0.00257   0.00234   0.00490   6.69409
   R18        6.57410   0.00000  -0.00245  -0.00238  -0.00483   6.56927
   R19        6.22065   0.00000  -0.00077  -0.00015  -0.00093   6.21972
   R20        6.57586   0.00000   0.00004  -0.00052  -0.00047   6.57538
   R21        6.04888   0.00001  -0.00086  -0.00216  -0.00300   6.04587
   R22        7.00852   0.00001   0.00036   0.00178   0.00212   7.01064
   R23        6.02437   0.00000   0.00374   0.00418   0.00793   6.03230
   R24        2.34962   0.00001  -0.00003  -0.00003  -0.00006   2.34957
   R25        2.57170  -0.00003   0.00015   0.00010   0.00023   2.57193
   R26        2.09466   0.00001  -0.00005  -0.00003  -0.00008   2.09459
   R27        2.76508   0.00001   0.00001   0.00005   0.00004   2.76512
   R28        2.76823   0.00001  -0.00005  -0.00006  -0.00011   2.76812
   R29        2.07653   0.00000   0.00000   0.00001   0.00001   2.07654
   R30        2.08270  -0.00004   0.00008  -0.00002   0.00001   2.08271
   R31        2.08302  -0.00001   0.00000  -0.00004  -0.00004   2.08298
   R32        2.08117  -0.00001   0.00009   0.00009   0.00017   2.08134
   R33        2.07468   0.00000   0.00002   0.00002   0.00005   2.07472
   R34        2.08351   0.00000   0.00000  -0.00002  -0.00001   2.08350
   R35        2.34879   0.00000   0.00006   0.00005   0.00011   2.34889
   R36        2.57170   0.00002  -0.00004  -0.00002  -0.00018   2.57153
   R37        2.09420   0.00000   0.00002   0.00000   0.00002   2.09422
   R38        2.76814   0.00002  -0.00017  -0.00003  -0.00010   2.76804
   R39        2.76493   0.00003  -0.00014  -0.00004  -0.00023   2.76470
   R40        2.08183   0.00001  -0.00002   0.00001   0.00000   2.08184
   R41        2.08412  -0.00001   0.00002   0.00000   0.00003   2.08414
   R42        2.07384   0.00000  -0.00009  -0.00009  -0.00017   2.07367
   R43        2.08328   0.00000   0.00001   0.00001   0.00002   2.08330
   R44        2.08359  -0.00001   0.00011   0.00009   0.00020   2.08380
   R45        2.07668   0.00000   0.00001   0.00001   0.00002   2.07670
   R46        2.34814   0.00002  -0.00006  -0.00003  -0.00009   2.34805
   R47        2.57202   0.00000   0.00011   0.00008   0.00020   2.57222
   R48        2.09360   0.00000  -0.00001   0.00000  -0.00001   2.09359
   R49        2.76556   0.00000   0.00005   0.00008   0.00015   2.76571
   R50        2.76870   0.00001  -0.00008  -0.00005  -0.00012   2.76858
   R51        2.08442   0.00000  -0.00001  -0.00002  -0.00003   2.08439
   R52        2.08227   0.00000   0.00005   0.00001   0.00014   2.08241
   R53        2.07618   0.00000   0.00007   0.00008   0.00015   2.07633
   R54        2.08523  -0.00001   0.00001  -0.00002   0.00000   2.08523
   R55        2.07395   0.00000   0.00001   0.00003   0.00003   2.07399
   R56        2.07778   0.00000   0.00003   0.00001   0.00003   2.07782
   R57        2.34901  -0.00004   0.00006   0.00002   0.00008   2.34909
   R58        2.57191   0.00004  -0.00012   0.00000  -0.00011   2.57180
   R59        2.09495   0.00000  -0.00001  -0.00001  -0.00003   2.09492
   R60        2.76948  -0.00001   0.00006   0.00000   0.00002   2.76950
   R61        2.76498   0.00001  -0.00018  -0.00022  -0.00041   2.76457
   R62        2.07451   0.00000  -0.00005  -0.00004  -0.00010   2.07442
   R63        2.08342   0.00001  -0.00006  -0.00005  -0.00011   2.08331
   R64        2.07989   0.00000   0.00006   0.00010   0.00016   2.08005
   R65        2.07604   0.00000  -0.00002  -0.00002  -0.00004   2.07600
   R66        2.08507   0.00001  -0.00012  -0.00006  -0.00015   2.08491
   R67        2.08233  -0.00001   0.00008   0.00006   0.00014   2.08247
    A1        0.68104  -0.00001   0.00045   0.00028   0.00071   0.68175
    A2        0.95821  -0.00001   0.00063   0.00033   0.00094   0.95914
    A3        0.72744   0.00000   0.00016   0.00007   0.00023   0.72767
    A4        1.01960  -0.00001   0.00027   0.00012   0.00038   1.01999
    A5        2.35307   0.00001   0.00382   0.00333   0.00705   2.36012
    A6        2.02954   0.00001   0.00194   0.00168   0.00357   2.03311
    A7        1.97671   0.00001  -0.00132  -0.00120  -0.00255   1.97416
    A8        1.68298   0.00000  -0.00185  -0.00181  -0.00365   1.67933
    A9        1.66199   0.00000   0.00301   0.00258   0.00559   1.66758
   A10        1.37961   0.00001   0.00263   0.00224   0.00489   1.38450
   A11        1.73476  -0.00001   0.00057   0.00055   0.00111   1.73586
   A12        2.04058  -0.00001   0.00132   0.00123   0.00252   2.04310
   A13        1.94776   0.00000   0.00232   0.00208   0.00437   1.95214
   A14        2.03889   0.00000   0.00382   0.00353   0.00732   2.04622
   A15        2.43335   0.00000   0.00048   0.00052   0.00097   2.43432
   A16        1.58355   0.00000  -0.00213  -0.00124  -0.00337   1.58019
   A17        1.78433   0.00000  -0.00209  -0.00093  -0.00302   1.78131
   A18        1.56407   0.00000  -0.00179  -0.00049  -0.00228   1.56179
   A19        1.70553   0.00000  -0.00139  -0.00012  -0.00153   1.70400
   A20        2.18782   0.00000  -0.00215  -0.00108  -0.00324   2.18459
   A21        2.40719   0.00001  -0.00265  -0.00117  -0.00383   2.40335
   A22        0.64365   0.00000   0.00040   0.00030   0.00069   0.64434
   A23        0.65959   0.00000   0.00015   0.00003   0.00017   0.65977
   A24        2.41104   0.00001   0.00591   0.00501   0.01088   2.42191
   A25        2.23231   0.00000   0.00354   0.00291   0.00641   2.23872
   A26        2.32198   0.00000  -0.00019  -0.00032  -0.00056   2.32142
   A27        2.05564   0.00000  -0.00130  -0.00144  -0.00275   2.05289
   A28        1.82479   0.00000   0.00363   0.00294   0.00658   1.83138
   A29        1.58243   0.00000   0.00287   0.00233   0.00522   1.58765
   A30        1.34095   0.00000   0.00035   0.00039   0.00074   1.34168
   A31        1.64170   0.00000   0.00111   0.00110   0.00219   1.64389
   A32        1.59466   0.00000   0.00215   0.00202   0.00416   1.59882
   A33        1.75062   0.00001   0.00366   0.00346   0.00709   1.75771
   A34        2.03672   0.00000   0.00041   0.00048   0.00087   2.03759
   A35        1.84948   0.00000  -0.00116  -0.00045  -0.00161   1.84787
   A36        1.91875   0.00000  -0.00095   0.00003  -0.00092   1.91782
   A37        1.57159   0.00000  -0.00073   0.00034  -0.00039   1.57120
   A38        1.59156   0.00000  -0.00038   0.00066   0.00027   1.59183
   A39        2.27473   0.00000  -0.00089   0.00009  -0.00080   2.27392
   A40        2.36926   0.00001  -0.00156  -0.00003  -0.00160   2.36766
   A41        0.68957   0.00000   0.00038   0.00029   0.00067   0.69024
   A42        0.74720  -0.00001   0.00051   0.00037   0.00089   0.74809
   A43        2.67768   0.00000   0.00642   0.00540   0.01179   2.68947
   A44        2.61292   0.00000   0.00425   0.00347   0.00766   2.62058
   A45        2.65507   0.00000  -0.00124  -0.00122  -0.00254   2.65252
   A46        2.34920   0.00000  -0.00182  -0.00182  -0.00366   2.34554
   A47        2.20461   0.00000   0.00410   0.00330   0.00740   2.21201
   A48        1.96853   0.00000   0.00328   0.00264   0.00592   1.97446
   A49        1.09963   0.00000   0.00031   0.00052   0.00083   1.10047
   A50        1.46012   0.00000   0.00073   0.00095   0.00167   1.46179
   A51        1.56477   0.00000   0.00200   0.00206   0.00405   1.56882
   A52        1.80371   0.00000   0.00328   0.00323   0.00649   1.81020
   A53        1.78341   0.00000  -0.00037  -0.00003  -0.00041   1.78300
   A54        1.71109   0.00000  -0.00027   0.00019  -0.00008   1.71102
   A55        1.64833   0.00000  -0.00045   0.00035  -0.00010   1.64824
   A56        1.24853   0.00000  -0.00050   0.00041  -0.00007   1.24846
   A57        1.21778   0.00000  -0.00051   0.00051   0.00001   1.21778
   A58        1.94333   0.00000  -0.00064   0.00028  -0.00036   1.94296
   A59        1.99142   0.00001  -0.00173  -0.00016  -0.00190   1.98953
   A60        0.83994   0.00000   0.00019   0.00029   0.00047   0.84041
   A61        0.77604   0.00000   0.00025   0.00041   0.00065   0.77669
   A62        2.61309   0.00001   0.00419   0.00377   0.00789   2.62098
   A63        2.78090   0.00000   0.00469   0.00403   0.00870   2.78960
   A64        2.60685  -0.00001  -0.00187  -0.00198  -0.00387   2.60298
   A65        2.40325   0.00000   0.00390   0.00323   0.00712   2.41038
   A66        2.20735   0.00000   0.00314   0.00258   0.00572   2.21306
   A67        0.85732   0.00001   0.00003   0.00055   0.00059   0.85790
   A68        1.23321   0.00001   0.00020   0.00078   0.00097   1.23418
   A69        1.41665   0.00001   0.00130   0.00179   0.00307   1.41973
   A70        1.69032   0.00001   0.00221   0.00261   0.00481   1.69513
   A71        1.51935   0.00001  -0.00081  -0.00022  -0.00102   1.51833
   A72        1.73038   0.00000   0.00102   0.00088   0.00191   1.73229
   A73        1.56234   0.00000   0.00070   0.00094   0.00167   1.56401
   A74        1.13310   0.00000   0.00064   0.00093   0.00160   1.13470
   A75        1.02441   0.00000   0.00034   0.00092   0.00128   1.02569
   A76        1.77968   0.00000   0.00025   0.00080   0.00106   1.78074
   A77        1.76937   0.00001  -0.00116   0.00019  -0.00095   1.76842
   A78        2.01443   0.00001   0.00621   0.00527   0.01145   2.02588
   A79        1.95380   0.00000   0.00442   0.00362   0.00802   1.96182
   A80        2.22569   0.00001   0.00197   0.00148   0.00341   2.22910
   A81        2.08007   0.00000   0.00008  -0.00041  -0.00036   2.07971
   A82        1.56336   0.00000   0.00370   0.00293   0.00664   1.57000
   A83        1.39514   0.00000   0.00263   0.00207   0.00472   1.39986
   A84        1.19678   0.00000   0.00016   0.00010   0.00026   1.19704
   A85        1.38543   0.00000   0.00127   0.00114   0.00239   1.38782
   A86        1.22108   0.00000   0.00214   0.00198   0.00411   1.22518
   A87        1.33199   0.00000   0.00371   0.00353   0.00722   1.33921
   A88        1.81179   0.00000   0.00108   0.00096   0.00202   1.81382
   A89        2.27963   0.00000  -0.00137  -0.00066  -0.00204   2.27759
   A90        2.33016   0.00000  -0.00045   0.00036  -0.00010   2.33006
   A91        1.93770   0.00000  -0.00003   0.00075   0.00072   1.93841
   A92        1.86406   0.00000   0.00061   0.00125   0.00186   1.86591
   A93        2.61908   0.00000   0.00032   0.00100   0.00130   2.62038
   A94        2.56191   0.00000   0.00016   0.00115   0.00130   2.56321
   A95        1.93132   0.00001   0.00581   0.00494   0.01074   1.94206
   A96        2.00740   0.00001   0.00440   0.00359   0.00798   2.01538
   A97        2.37932   0.00001   0.00290   0.00230   0.00516   2.38449
   A98        2.32954   0.00001   0.00062   0.00003   0.00061   2.33015
   A99        1.67493   0.00000   0.00314   0.00241   0.00557   1.68050
   A100       1.57991   0.00000   0.00202   0.00153   0.00356   1.58347
   A101       0.88965   0.00000   0.00020   0.00011   0.00030   0.88995
   A102       1.06347   0.00000   0.00125   0.00117   0.00241   1.06587
   A103       0.93683   0.00001   0.00203   0.00200   0.00401   0.94085
   A104       1.10238   0.00001   0.00336   0.00333   0.00667   1.10905
   A105       1.48962   0.00000   0.00105   0.00098   0.00201   1.49163
   A106       2.45716  -0.00001   0.00006   0.00042   0.00047   2.45763
   A107       2.33606  -0.00001   0.00119   0.00150   0.00268   2.33874
   A108       1.90377  -0.00001   0.00121   0.00151   0.00273   1.90650
   A109       1.73452  -0.00001   0.00167   0.00187   0.00354   1.73806
   A110       2.45882   0.00000   0.00184   0.00205   0.00388   2.46270
   A111       2.29849   0.00000   0.00110   0.00171   0.00281   2.30129
   A112       0.71341   0.00001   0.00010   0.00017   0.00027   0.71368
   A113       1.00521   0.00001   0.00010   0.00018   0.00028   1.00548
   A114       0.69591   0.00001   0.00026   0.00028   0.00051   0.69641
   A115       0.98383   0.00001   0.00032   0.00036   0.00063   0.98446
   A116       1.80932   0.00000   0.00193   0.00121   0.00316   1.81248
   A117       1.42902   0.00000   0.00191   0.00113   0.00306   1.43209
   A118       1.19776   0.00000   0.00258   0.00172   0.00431   1.20207
   A119       0.92324   0.00000   0.00212   0.00129   0.00341   0.92665
   A120       1.25138  -0.00001   0.00084   0.00029   0.00116   1.25254
   A121       1.89113   0.00000  -0.00610  -0.00552  -0.01160   1.87954
   A122       1.93849  -0.00001  -0.00569  -0.00559  -0.01128   1.92721
   A123       2.29929  -0.00001  -0.00488  -0.00513  -0.01003   2.28926
   A124       2.22155  -0.00001  -0.00308  -0.00377  -0.00690   2.21465
   A125       1.59738  -0.00001  -0.00497  -0.00506  -0.01003   1.58735
   A126       1.46942  -0.00002  -0.00308  -0.00391  -0.00697   1.46245
   A127       0.65653   0.00000  -0.00001   0.00003   0.00003   0.65656
   A128       0.66074   0.00000  -0.00003   0.00001  -0.00003   0.66071
   A129       2.17223   0.00000   0.00181   0.00103   0.00284   2.17507
   A130       1.80024   0.00000   0.00174   0.00093   0.00266   1.80290
   A131       1.50751   0.00000   0.00191   0.00105   0.00296   1.51048
   A132       1.21429   0.00000   0.00153   0.00073   0.00224   1.21654
   A133       1.64479  -0.00001   0.00109   0.00052   0.00161   1.64640
   A134       1.73915   0.00000  -0.00569  -0.00487  -0.01055   1.72860
   A135       1.93908   0.00000  -0.00546  -0.00502  -0.01047   1.92860
   A136       2.36917   0.00000  -0.00535  -0.00497  -0.01033   2.35883
   A137       2.45154   0.00000  -0.00402  -0.00420  -0.00827   2.44328
   A138       1.70945  -0.00001  -0.00452  -0.00447  -0.00900   1.70046
   A139       1.67862  -0.00001  -0.00238  -0.00321  -0.00560   1.67302
   A140       0.70453   0.00001  -0.00017  -0.00004  -0.00019   0.70434
   A141       0.83083   0.00001  -0.00054  -0.00047  -0.00099   0.82983
   A142       2.50190   0.00000   0.00238   0.00179   0.00417   2.50607
   A143       2.12319   0.00000   0.00246   0.00178   0.00424   2.12743
   A144       1.90547   0.00000   0.00237   0.00158   0.00395   1.90941
   A145       1.61958   0.00000   0.00179   0.00106   0.00284   1.62243
   A146       1.84099   0.00000   0.00224   0.00174   0.00398   1.84496
   A147       1.31477  -0.00001  -0.00541  -0.00468  -0.01010   1.30467
   A148       1.55571   0.00000  -0.00485  -0.00439  -0.00925   1.54646
   A149       1.98646  -0.00001  -0.00493  -0.00441  -0.00935   1.97711
   A150       2.16633   0.00000  -0.00410  -0.00385  -0.00798   2.15835
   A151       1.41781  -0.00001  -0.00352  -0.00344  -0.00697   1.41084
   A152       1.48564  -0.00001  -0.00121  -0.00198  -0.00321   1.48244
   A153       0.76796   0.00001   0.00006  -0.00001   0.00007   0.76804
   A154       0.76719   0.00001  -0.00037  -0.00057  -0.00091   0.76628
   A155       2.81259   0.00001   0.00216   0.00157   0.00373   2.81632
   A156       2.43135   0.00001   0.00221   0.00154   0.00374   2.43509
   A157       2.16265   0.00000   0.00176   0.00092   0.00268   2.16533
   A158       1.86836   0.00001   0.00138   0.00062   0.00199   1.87035
   A159       2.15058   0.00000   0.00219   0.00185   0.00402   2.15460
   A160       1.18074  -0.00001  -0.00462  -0.00361  -0.00823   1.17250
   A161       1.50712   0.00000  -0.00409  -0.00322  -0.00731   1.49981
   A162       1.90368   0.00000  -0.00440  -0.00339  -0.00779   1.89589
   A163       2.16420   0.00000  -0.00399  -0.00310  -0.00711   2.15708
   A164       1.49309   0.00000  -0.00273  -0.00227  -0.00501   1.48808
   A165       1.63768  -0.00001  -0.00071  -0.00106  -0.00180   1.63588
   A166       2.15982   0.00000   0.00080   0.00001   0.00079   2.16061
   A167       1.86173   0.00000   0.00059  -0.00017   0.00040   1.86214
   A168       1.47572   0.00000   0.00046  -0.00027   0.00018   1.47590
   A169       1.19642   0.00000   0.00037  -0.00023   0.00011   1.19653
   A170       1.86848  -0.00001   0.00008  -0.00044  -0.00038   1.86810
   A171       1.94860   0.00000  -0.00451  -0.00356  -0.00809   1.94051
   A172       2.25272   0.00001  -0.00470  -0.00404  -0.00875   2.24397
   A173       2.67005   0.00000  -0.00454  -0.00366  -0.00822   2.66182
   A174       2.09962   0.00000  -0.00419  -0.00405  -0.00826   2.09135
   A175       2.08702  -0.00001  -0.00231  -0.00310  -0.00543   2.08159
   A176       2.26866   0.00000   0.00046  -0.00014   0.00031   2.26896
   A177       2.04963   0.00000   0.00031  -0.00029   0.00000   2.04963
   A178       1.63853   0.00000   0.00002  -0.00050  -0.00050   1.63803
   A179       1.38823   0.00000   0.00015  -0.00022  -0.00010   1.38813
   A180       2.13500  -0.00001  -0.00002  -0.00045  -0.00049   2.13451
   A181       1.88420   0.00000  -0.00362  -0.00275  -0.00638   1.87782
   A182       2.25719   0.00001  -0.00375  -0.00302  -0.00678   2.25041
   A183       2.58022   0.00000  -0.00283  -0.00176  -0.00463   2.57558
   A184       2.24078   0.00000  -0.00371  -0.00352  -0.00725   2.23353
   A185       2.30561  -0.00001  -0.00205  -0.00282  -0.00489   2.30072
   A186       0.69196   0.00000   0.00020   0.00019   0.00038   0.69234
   A187       0.98329   0.00000   0.00038   0.00029   0.00068   0.98397
   A188       0.69892   0.00000  -0.00017  -0.00010  -0.00027   0.69865
   A189       2.13031   0.00000   0.00315   0.00288   0.00604   2.13635
   A190       1.74808  -0.00001   0.00298   0.00276   0.00576   1.75384
   A191       1.41919   0.00000   0.00297   0.00263   0.00562   1.42480
   A192       1.11397   0.00000   0.00300   0.00266   0.00568   1.11965
   A193       1.63257   0.00000   0.00247   0.00248   0.00496   1.63753
   A194       1.41757   0.00000   0.00128   0.00183   0.00313   1.42070
   A195       0.66774   0.00000   0.00021   0.00002   0.00024   0.66798
   A196       2.26658   0.00000   0.00212   0.00173   0.00386   2.27044
   A197       1.86728   0.00000   0.00205   0.00164   0.00369   1.87097
   A198       1.65068   0.00000   0.00222   0.00171   0.00395   1.65463
   A199       1.33030   0.00000   0.00223   0.00170   0.00394   1.33424
   A200       1.61622   0.00000   0.00158   0.00138   0.00297   1.61920
   A201       1.34779   0.00000   0.00091   0.00103   0.00196   1.34975
   A202       0.71162  -0.00001   0.00020   0.00010   0.00030   0.71192
   A203       2.64550   0.00000   0.00162   0.00106   0.00266   2.64817
   A204       2.26188  -0.00001   0.00196   0.00137   0.00332   2.26520
   A205       2.06384   0.00000   0.00267   0.00209   0.00476   2.06860
   A206       1.74363   0.00000   0.00266   0.00206   0.00473   1.74836
   A207       1.95201   0.00000   0.00121   0.00077   0.00198   1.95399
   A208       1.66895   0.00000   0.00090   0.00063   0.00155   1.67050
   A209       0.83398  -0.00001  -0.00036  -0.00057  -0.00092   0.83305
   A210       2.66069   0.00000  -0.00164  -0.00225  -0.00391   2.65678
   A211       2.37689  -0.00001  -0.00012  -0.00093  -0.00108   2.37582
   A212       2.30054  -0.00001   0.00171   0.00089   0.00259   2.30313
   A213       1.98427  -0.00001   0.00188   0.00106   0.00294   1.98721
   A214       1.99797  -0.00001  -0.00067  -0.00131  -0.00199   1.99598
   A215       1.72146  -0.00001  -0.00039  -0.00106  -0.00142   1.72003
   A216       1.93430   0.00001   0.00130   0.00084   0.00215   1.93645
   A217       1.56477   0.00000   0.00121   0.00067   0.00190   1.56667
   A218       1.49201   0.00000   0.00107   0.00037   0.00146   1.49346
   A219       1.19888   0.00000   0.00099   0.00027   0.00128   1.20015
   A220       1.24169   0.00000   0.00115   0.00084   0.00200   1.24370
   A221       0.96024   0.00000   0.00082   0.00071   0.00155   0.96179
   A222       0.72567   0.00000   0.00014   0.00018   0.00031   0.72598
   A223       1.01740   0.00000   0.00014   0.00021   0.00034   1.01775
   A224       0.69795   0.00000   0.00010  -0.00001   0.00009   0.69805
   A225       0.98179   0.00001   0.00026   0.00005   0.00030   0.98210
   A226       0.65783   0.00000   0.00001   0.00007   0.00008   0.65791
   A227       0.66194   0.00000  -0.00025  -0.00028  -0.00053   0.66141
   A228       0.70408   0.00000  -0.00013  -0.00019  -0.00033   0.70376
   A229       0.84826   0.00001  -0.00089  -0.00061  -0.00151   0.84675
   A230       0.75724   0.00001  -0.00015  -0.00012  -0.00027   0.75697
   A231       0.77773   0.00001  -0.00119  -0.00069  -0.00188   0.77585
   A232       1.58913   0.00001   0.00031   0.00075   0.00105   1.59018
   A233       1.86285   0.00000  -0.00131  -0.00204  -0.00335   1.85950
   A234       2.19015   0.00000   0.00002   0.00010   0.00012   2.19027
   A235       2.12933  -0.00001   0.00009   0.00003   0.00013   2.12946
   A236       1.96333   0.00000  -0.00011  -0.00013  -0.00026   1.96308
   A237       2.12387  -0.00001  -0.00013  -0.00029  -0.00044   2.12343
   A238       2.12634   0.00001  -0.00010  -0.00009  -0.00020   2.12615
   A239       2.03217  -0.00001   0.00013   0.00027   0.00042   2.03259
   A240       1.82766   0.00000  -0.00131  -0.00056  -0.00187   1.82579
   A241       2.54655  -0.00001   0.00135   0.00058   0.00192   2.54847
   A242       1.91397   0.00000   0.00007   0.00002   0.00010   1.91407
   A243       1.91635   0.00000  -0.00001   0.00009   0.00005   1.91640
   A244       1.91680   0.00000   0.00015   0.00007   0.00020   1.91700
   A245       1.91034  -0.00001   0.00002  -0.00014  -0.00011   1.91022
   A246       1.90818   0.00001  -0.00011  -0.00008  -0.00019   1.90799
   A247       1.89807   0.00000  -0.00011   0.00005  -0.00004   1.89803
   A248       1.28560   0.00000   0.00069   0.00041   0.00110   1.28669
   A249       1.90470  -0.00001   0.00032   0.00018   0.00050   1.90520
   A250       1.90946  -0.00001   0.00005  -0.00009  -0.00003   1.90943
   A251       1.92786   0.00000   0.00001   0.00015   0.00015   1.92802
   A252       1.91080   0.00001  -0.00027  -0.00023  -0.00050   1.91029
   A253       1.89782   0.00000  -0.00014  -0.00009  -0.00022   1.89760
   A254       1.91306   0.00000   0.00002   0.00007   0.00009   1.91316
   A255       1.72343   0.00000  -0.00055  -0.00040  -0.00097   1.72246
   A256       1.76364  -0.00001  -0.00073  -0.00073  -0.00144   1.76220
   A257       2.19168   0.00000  -0.00001  -0.00002  -0.00005   2.19162
   A258       2.12945   0.00000   0.00001   0.00008   0.00009   2.12954
   A259       1.96184  -0.00001  -0.00001  -0.00006  -0.00004   1.96180
   A260       2.12580   0.00000   0.00022   0.00017   0.00041   2.12621
   A261       2.12307   0.00000   0.00031   0.00030   0.00055   2.12362
   A262       2.03401   0.00001  -0.00057  -0.00052  -0.00105   2.03296
   A263       1.36467  -0.00002   0.00232   0.00117   0.00350   1.36817
   A264       1.90117   0.00000  -0.00006  -0.00016  -0.00022   1.90096
   A265       1.93059   0.00000  -0.00021  -0.00011  -0.00032   1.93026
   A266       1.90986  -0.00001   0.00013   0.00004   0.00018   1.91003
   A267       1.89648   0.00000  -0.00017  -0.00012  -0.00030   1.89618
   A268       1.91439   0.00000   0.00039   0.00036   0.00074   1.91514
   A269       1.91124   0.00001  -0.00008   0.00000  -0.00008   1.91116
   A270       2.67419   0.00001   0.00088   0.00113   0.00199   2.67618
   A271       1.68866  -0.00001  -0.00102  -0.00125  -0.00225   1.68640
   A272       1.92520   0.00000   0.00014   0.00004   0.00016   1.92537
   A273       1.91236   0.00000  -0.00023  -0.00022  -0.00046   1.91190
   A274       1.91417   0.00000   0.00033   0.00032   0.00067   1.91483
   A275       1.89369   0.00001  -0.00041  -0.00032  -0.00072   1.89297
   A276       1.91108   0.00000   0.00002   0.00002   0.00004   1.91112
   A277       1.90712   0.00000   0.00013   0.00016   0.00030   1.90742
   A278       1.81573  -0.00003   0.00192   0.00115   0.00307   1.81880
   A279       1.74805  -0.00001  -0.00175  -0.00168  -0.00343   1.74462
   A280       2.18985  -0.00001   0.00001  -0.00002   0.00000   2.18985
   A281       2.13052   0.00001  -0.00006   0.00003  -0.00003   2.13050
   A282       1.96274  -0.00001   0.00005  -0.00001   0.00003   1.96276
   A283       2.12256   0.00001  -0.00016  -0.00002  -0.00019   2.12237
   A284       2.11479   0.00001  -0.00002   0.00002   0.00000   2.11479
   A285       2.04281  -0.00002   0.00018   0.00008   0.00027   2.04307
   A286       2.70588   0.00000   0.00327   0.00326   0.00652   2.71241
   A287       1.65260   0.00000  -0.00353  -0.00347  -0.00699   1.64561
   A288       1.92684   0.00000   0.00032   0.00014   0.00042   1.92726
   A289       1.91520  -0.00001   0.00002  -0.00017  -0.00014   1.91506
   A290       1.91199  -0.00001  -0.00016  -0.00012  -0.00026   1.91173
   A291       1.89090   0.00000   0.00002   0.00018   0.00021   1.89112
   A292       1.91257   0.00000   0.00003   0.00007   0.00010   1.91268
   A293       1.90611   0.00001  -0.00024  -0.00009  -0.00034   1.90577
   A294       1.35320  -0.00002   0.00309   0.00156   0.00465   1.35785
   A295       1.15317   0.00001  -0.00179  -0.00107  -0.00287   1.15031
   A296       1.93329   0.00000   0.00003   0.00013   0.00016   1.93345
   A297       1.90744  -0.00002   0.00010   0.00006   0.00015   1.90759
   A298       1.90181   0.00002   0.00003  -0.00008  -0.00006   1.90175
   A299       1.90919   0.00001   0.00007   0.00015   0.00022   1.90940
   A300       1.89831   0.00000  -0.00015  -0.00003  -0.00017   1.89814
   A301       1.91371  -0.00001  -0.00009  -0.00023  -0.00030   1.91341
   A302       1.64598  -0.00001  -0.00022  -0.00089  -0.00110   1.64487
   A303       1.80572  -0.00001  -0.00045   0.00002  -0.00043   1.80529
   A304       2.18897   0.00000  -0.00006  -0.00003  -0.00008   2.18889
   A305       2.13021   0.00001  -0.00003  -0.00001  -0.00004   2.13017
   A306       1.96365   0.00000   0.00008   0.00004   0.00011   1.96376
   A307       2.12513  -0.00001   0.00006   0.00004   0.00010   2.12523
   A308       2.12437  -0.00001   0.00030   0.00022   0.00054   2.12490
   A309       2.03018   0.00002  -0.00037  -0.00029  -0.00067   2.02951
   A310       1.30094   0.00001   0.00049   0.00053   0.00103   1.30196
   A311       3.04861   0.00002  -0.00091  -0.00109  -0.00200   3.04661
   A312       1.91193   0.00001  -0.00007  -0.00008  -0.00016   1.91177
   A313       1.93032   0.00000  -0.00022  -0.00007  -0.00031   1.93002
   A314       1.90122   0.00001  -0.00040  -0.00025  -0.00062   1.90060
   A315       1.91171  -0.00003   0.00065   0.00041   0.00108   1.91279
   A316       1.91209   0.00000   0.00022   0.00016   0.00037   1.91246
   A317       1.89640   0.00001  -0.00020  -0.00018  -0.00037   1.89604
   A318       1.77894  -0.00001  -0.00245  -0.00095  -0.00341   1.77554
   A319       1.91603   0.00001   0.00022   0.00018   0.00039   1.91642
   A320       1.91356  -0.00001  -0.00031  -0.00019  -0.00050   1.91306
   A321       1.92077   0.00000   0.00012   0.00009   0.00021   1.92098
   A322       1.90757  -0.00002   0.00038   0.00035   0.00074   1.90831
   A323       1.91026   0.00001  -0.00031  -0.00033  -0.00064   1.90963
   A324       1.89545   0.00001  -0.00011  -0.00010  -0.00021   1.89525
   A325       2.93491  -0.00001  -0.00069  -0.00086  -0.00161   2.93330
   A326       3.36752   0.00000   0.00162   0.00245   0.00406   3.37158
   A327       3.08514   0.00000   0.00125   0.00212   0.00337   3.08851
   A328       3.19866   0.00000   0.00071   0.00048   0.00119   3.19985
   A329       3.27591   0.00000   0.00224   0.00118   0.00342   3.27933
   A330       3.26239  -0.00001   0.00316   0.00171   0.00487   3.26726
   A331       3.68921   0.00000  -0.00276  -0.00128  -0.00404   3.68516
   A332       3.22882   0.00001   0.00403   0.00361   0.00761   3.23644
   A333       2.96527   0.00001  -0.00469  -0.00355  -0.00827   2.95700
   A334       2.90138   0.00001  -0.00348  -0.00264  -0.00614   2.89524
   A335       3.22917   0.00000  -0.00006   0.00029   0.00023   3.22940
   A336       3.07576   0.00000  -0.00031  -0.00034  -0.00065   3.07511
   A337       3.10426   0.00001  -0.00053  -0.00036  -0.00089   3.10338
   A338       3.04735   0.00000   0.00105   0.00096   0.00201   3.04936
    D1        2.75822   0.00000   0.00008   0.00000   0.00010   2.75832
    D2       -1.36101   0.00000   0.00000  -0.00014  -0.00013  -1.36114
    D3        2.77975   0.00001  -0.00047  -0.00014  -0.00061   2.77915
    D4       -1.33948   0.00001  -0.00056  -0.00028  -0.00083  -1.34031
    D5        1.66185   0.00000  -0.00016  -0.00026  -0.00041   1.66144
    D6       -2.45738   0.00000  -0.00024  -0.00041  -0.00064  -2.45802
    D7        1.84240   0.00001  -0.00051  -0.00052  -0.00102   1.84138
    D8       -2.27683   0.00000  -0.00059  -0.00066  -0.00125  -2.27808
    D9        0.29873   0.00000  -0.00732  -0.00616  -0.01359   0.28514
   D10        2.46268   0.00000  -0.00740  -0.00630  -0.01381   2.44887
   D11        0.01892   0.00000  -0.00501  -0.00411  -0.00913   0.00979
   D12        2.18288   0.00000  -0.00509  -0.00425  -0.00935   2.17352
   D13       -0.44907  -0.00001  -0.00450  -0.00375  -0.00822  -0.45729
   D14        1.71489  -0.00001  -0.00458  -0.00390  -0.00845   1.70644
   D15       -0.56664   0.00000  -0.00262  -0.00193  -0.00452  -0.57116
   D16        1.59732   0.00000  -0.00270  -0.00207  -0.00475   1.59257
   D17        0.20525   0.00000  -0.00238  -0.00179  -0.00418   0.20107
   D18        2.36921   0.00000  -0.00246  -0.00193  -0.00441   2.36480
   D19        0.14136   0.00000  -0.00117  -0.00088  -0.00206   0.13930
   D20        2.30532   0.00000  -0.00125  -0.00102  -0.00228   2.30303
   D21        2.39549   0.00000  -0.00062  -0.00097  -0.00158   2.39391
   D22       -1.72374   0.00000  -0.00070  -0.00111  -0.00181  -1.72555
   D23        2.15449   0.00000   0.00044  -0.00012   0.00033   2.15482
   D24       -1.96474   0.00000   0.00036  -0.00027   0.00011  -1.96464
   D25        1.70967   0.00000  -0.00056  -0.00094  -0.00149   1.70818
   D26       -2.40956   0.00000  -0.00064  -0.00109  -0.00172  -2.41127
   D27        1.40215   0.00001  -0.00083  -0.00110  -0.00192   1.40023
   D28       -2.71708   0.00000  -0.00091  -0.00124  -0.00215  -2.71923
   D29        2.36989   0.00000   0.00261   0.00168   0.00429   2.37417
   D30       -1.74934  -0.00001   0.00252   0.00154   0.00406  -1.74528
   D31       -1.74629   0.00000   0.00222   0.00179   0.00403  -1.74226
   D32        0.41767   0.00000   0.00214   0.00165   0.00380   0.42147
   D33       -2.09633   0.00000   0.00220   0.00187   0.00407  -2.09226
   D34        0.06763  -0.00001   0.00211   0.00172   0.00384   0.07147
   D35       -2.47171   0.00000   0.00208   0.00160   0.00369  -2.46802
   D36       -0.30776   0.00000   0.00199   0.00146   0.00347  -0.30429
   D37       -2.76002   0.00000   0.00231   0.00176   0.00409  -2.75593
   D38       -0.59607   0.00000   0.00223   0.00162   0.00386  -0.59220
   D39       -2.12157   0.00000   0.00227   0.00226   0.00452  -2.11705
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   D41       -2.36452   0.00000   0.00163   0.00225   0.00386  -2.36066
   D42       -0.20056   0.00000   0.00155   0.00210   0.00363  -0.19693
   D43        1.26504   0.00000   0.00093   0.00034   0.00127   1.26631
   D44       -1.92924   0.00000  -0.00134  -0.00187  -0.00320  -1.93245
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   D46       -0.73548   0.00000  -0.00173  -0.00221  -0.00394  -0.73942
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   D48       -0.25017   0.00000  -0.00203  -0.00249  -0.00451  -0.25467
   D49        2.87166   0.00001   0.00390   0.00299   0.00696   2.87862
   D50       -0.32262   0.00002   0.00163   0.00078   0.00249  -0.32014
   D51        2.03482   0.00000  -0.00454  -0.00407  -0.00881   2.02601
   D52       -1.15945   0.00000  -0.00680  -0.00628  -0.01329  -1.17274
   D53        1.13567  -0.00001  -0.00792  -0.00685  -0.01465   1.12103
   D54       -2.05861  -0.00001  -0.01019  -0.00906  -0.01912  -2.07773
   D55        1.00788  -0.00001  -0.00250  -0.00197  -0.00443   1.00345
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   D58       -1.17302   0.00000  -0.00223  -0.00234  -0.00460  -1.17762
   D59        1.82776   0.00000   0.00075   0.00035   0.00109   1.82885
   D60       -1.36651   0.00000  -0.00151  -0.00186  -0.00338  -1.36990
   D61       -2.28032   0.00000   0.00024  -0.00060  -0.00036  -2.28068
   D62        0.80859   0.00000  -0.00202  -0.00280  -0.00483   0.80376
   D63       -2.41097   0.00000   0.00168   0.00067   0.00234  -2.40863
   D64        0.67794   0.00000  -0.00058  -0.00154  -0.00213   0.67581
   D65       -2.81368   0.00000   0.00169   0.00074   0.00242  -2.81126
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   D67       -2.98753   0.00001   0.00285   0.00191   0.00476  -2.98277
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   D69       -2.13129   0.00000   0.00270   0.00157   0.00425  -2.12704
   D70        0.95762   0.00000   0.00044  -0.00064  -0.00022   0.95740
   D71       -0.15134   0.00000   0.00390   0.00250   0.00639  -0.14494
   D72        2.93757   0.00000   0.00163   0.00029   0.00192   2.93949
   D73       -0.54990  -0.00001   0.00382   0.00233   0.00615  -0.54375
   D74        2.53900   0.00000   0.00156   0.00012   0.00168   2.54068
   D75       -0.71812   0.00000   0.00387   0.00210   0.00597  -0.71214
   D76        2.37079   0.00000   0.00161  -0.00011   0.00150   2.37229
   D77       -1.05631   0.00000   0.00382   0.00212   0.00595  -1.05036
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   D79       -0.83454   0.00000   0.00374   0.00249   0.00623  -0.82831
   D80        2.25437   0.00000   0.00148   0.00028   0.00176   2.25613
   D81       -1.13804   0.00000   0.00351   0.00234   0.00586  -1.13218
   D82        1.95087   0.00000   0.00125   0.00014   0.00138   1.95225
   D83       -1.53263   0.00000   0.00024   0.00034   0.00058  -1.53205
   D84       -2.60917   0.00000  -0.00015   0.00011  -0.00003  -2.60919
   D85       -2.94842   0.00001  -0.00050   0.00013  -0.00035  -2.94877
   D86        0.73254   0.00001  -0.00058  -0.00019  -0.00081   0.73172
   D87        0.30681   0.00000  -0.00148  -0.00094  -0.00245   0.30436
   D88       -0.07594   0.00000  -0.00433  -0.00350  -0.00785  -0.08380
   D89       -0.41117   0.00000  -0.00319  -0.00238  -0.00556  -0.41673
   D90        0.18400   0.00000   0.00057   0.00090   0.00145   0.18545
   D91       -0.05284   0.00000   0.00127   0.00141   0.00268  -0.05017
   D92        2.39797   0.00000  -0.00043  -0.00058  -0.00101   2.39696
   D93        2.05242   0.00000   0.00034   0.00006   0.00041   2.05284
   D94        1.65629   0.00000  -0.00024  -0.00041  -0.00064   1.65566
   D95        1.37086   0.00000   0.00032   0.00021   0.00053   1.37139
   D96        2.05971   0.00000   0.00166   0.00126   0.00292   2.06263
   D97       -1.88695   0.00000   0.00390   0.00333   0.00721  -1.87974
   D98       -2.42600  -0.00001   0.00434   0.00340   0.00773  -2.41826
   D99       -2.64505   0.00000   0.00325   0.00222   0.00549  -2.63957
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   D101      -2.89517  -0.00001   0.00580   0.00443   0.01024  -2.88493
   D102       2.85170  -0.00001   0.00531   0.00329   0.00862   2.86033
   D103      -2.88096   0.00000   0.00790   0.00701   0.01501  -2.86595
   D104       1.21705   0.00000   0.00832   0.00730   0.01573   1.23278
   D105       2.82326   0.00000   0.00500   0.00454   0.00965   2.83290
   D106       0.63808   0.00000   0.00542   0.00484   0.01036   0.64844
   D107       2.31131  -0.00001  -0.00016   0.00017  -0.00009   2.31122
   D108       0.12613  -0.00001   0.00026   0.00047   0.00063   0.12676
   D109       1.73698  -0.00001  -0.00521  -0.00417  -0.00958   1.72740
   D110      -0.44819  -0.00001  -0.00480  -0.00388  -0.00887  -0.45706
   D111       2.59784   0.00000   0.00310   0.00302   0.00613   2.60397
   D112       0.41266   0.00000   0.00351   0.00332   0.00685   0.41951
   D113       2.25871   0.00000   0.00234   0.00242   0.00474   2.26345
   D114       0.07353   0.00000   0.00276   0.00272   0.00546   0.07899
   D115      -1.61233   0.00000  -0.00047  -0.00030  -0.00072  -1.61306
   D116       2.48568   0.00000  -0.00005   0.00000  -0.00001   2.48567
   D117      -1.77007   0.00000   0.00008  -0.00008   0.00003  -1.77005
   D118       2.32794   0.00000   0.00050   0.00021   0.00074   2.32868
   D119      -2.73545   0.00000   0.00009   0.00010   0.00017  -2.73528
   D120       1.36256  -0.00001   0.00050   0.00039   0.00088   1.36344
   D121      -2.69510   0.00000   0.00067   0.00079   0.00144  -2.69366
   D122       1.40291   0.00000   0.00109   0.00108   0.00215   1.40507
   D123       1.33252   0.00000   0.00146   0.00185   0.00329   1.33581
   D124      -0.85266   0.00000   0.00187   0.00214   0.00400  -0.84865
   D125       1.30455   0.00000   0.00239   0.00262   0.00499   1.30953
   D126      -0.88062   0.00000   0.00281   0.00291   0.00570  -0.87493
   D127       1.66227   0.00000   0.00306   0.00318   0.00621   1.66848
   D128      -0.52290   0.00000   0.00348   0.00347   0.00692  -0.51598
   D129       1.78551   0.00000   0.00256   0.00257   0.00511   1.79062
   D130      -0.39967   0.00000   0.00298   0.00287   0.00583  -0.39384
   D131       0.90559   0.00001   0.00321   0.00325   0.00644   0.91203
   D132      -1.27958   0.00001   0.00363   0.00355   0.00715  -1.27243
   D133      -0.95404   0.00000   0.00009   0.00092   0.00097  -0.95307
   D134      -3.13921   0.00000   0.00050   0.00121   0.00168  -3.13753
   D135      -0.53059   0.00001  -0.00075   0.00021  -0.00053  -0.53113
   D136      -2.71576   0.00001  -0.00033   0.00050   0.00018  -2.71559
   D137      -0.24693   0.00001  -0.00313  -0.00153  -0.00457  -0.25150
   D138      -2.43210   0.00001  -0.00271  -0.00124  -0.00386  -2.43596
   D139       0.15739   0.00001  -0.00391  -0.00258  -0.00642   0.15097
   D140      -2.02778   0.00000  -0.00349  -0.00229  -0.00571  -2.03349
   D141      -0.30835   0.00000   0.00004   0.00048   0.00053  -0.30782
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   D145      -2.45952   0.00000   0.00666   0.00609   0.01272  -2.44680
   D146      -2.70296   0.00001   0.00865   0.00773   0.01636  -2.68660
   D147      -2.37100   0.00001   0.01270   0.01098   0.02355  -2.34745
   D148       3.02121   0.00000   0.00759   0.00699   0.01461   3.03583
   D149       2.63760   0.00000   0.00740   0.00698   0.01443   2.65204
   D150       1.51079  -0.00001  -0.00094  -0.00056  -0.00146   1.50934
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   D152       2.99041  -0.00001   0.00010   0.00043   0.00049   2.99090
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   D295      -2.20700  -0.00001  -0.00471  -0.00360  -0.00832  -2.21532
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   D297      -0.22502   0.00001   0.00094   0.00128   0.00220  -0.22282
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   D299      -0.20342   0.00000  -0.00031   0.00002  -0.00030  -0.20373
   D300      -1.88281   0.00001   0.00020   0.00016   0.00037  -1.88244
   D301       0.18277   0.00001  -0.00094  -0.00056  -0.00150   0.18127
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   D303       0.24554   0.00000  -0.00145  -0.00143  -0.00287   0.24267
   D304      -2.61756   0.00000   0.00004  -0.00004   0.00001  -2.61755
   D305      -0.55198   0.00000  -0.00111  -0.00075  -0.00186  -0.55384
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   D307      -0.67688   0.00000  -0.00164  -0.00112  -0.00276  -0.67964
   D308       1.52659  -0.00001  -0.00121  -0.00062  -0.00183   1.52476
   D309      -2.69102  -0.00001  -0.00236  -0.00134  -0.00370  -2.69471
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   D311      -1.59012   0.00000  -0.00205  -0.00102  -0.00308  -1.59320
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   D314      -0.48872   0.00000  -0.00467  -0.00419  -0.00886  -0.49757
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   D316      -0.32934   0.00000  -0.00452  -0.00423  -0.00876  -0.33809
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   D319       2.16338   0.00000  -0.00570  -0.00498  -0.01068   2.15269
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   D464       1.92517   0.00001  -0.00291  -0.00230  -0.00521   1.91996
   D465      -2.27505   0.00001  -0.00267  -0.00211  -0.00478  -2.27983
   D466      -0.18256   0.00001  -0.00305  -0.00239  -0.00544  -0.18801
   D467      -1.13385   0.00000  -0.00290  -0.00331  -0.00622  -1.14008
   D468       0.94911   0.00000  -0.00266  -0.00312  -0.00579   0.94332
   D469       3.04160   0.00000  -0.00304  -0.00341  -0.00645   3.03514
   D470      -1.63358   0.00000  -0.00192  -0.00158  -0.00350  -1.63708
   D471       0.47110   0.00000  -0.00175  -0.00128  -0.00303   0.46807
   D472       2.56198  -0.00001  -0.00178  -0.00157  -0.00335   2.55863
   D473       1.42583   0.00001  -0.00194  -0.00057  -0.00250   1.42333
   D474      -2.75267   0.00001  -0.00177  -0.00027  -0.00204  -2.75471
   D475      -0.66179   0.00000  -0.00180  -0.00056  -0.00235  -0.66415
   D476       0.00302   0.00001  -0.00031  -0.00023  -0.00054   0.00248
   D477      -3.04523   0.00001  -0.00030   0.00014  -0.00016  -3.04539
   D478       3.11622  -0.00001  -0.00044  -0.00045  -0.00089   3.11533
   D479       0.06797  -0.00001  -0.00043  -0.00008  -0.00051   0.06746
   D480      -0.30681   0.00001   0.00113   0.00195   0.00308  -0.30373
   D481       1.80204  -0.00001   0.00176   0.00236   0.00412   1.80616
   D482      -2.39803   0.00000   0.00114   0.00195   0.00310  -2.39493
   D483       2.74622   0.00001   0.00115   0.00162   0.00278   2.74900
   D484      -1.42812  -0.00001   0.00178   0.00204   0.00382  -1.42430
   D485       0.65499   0.00000   0.00116   0.00163   0.00280   0.65779
   D486      -0.08581   0.00001   0.00262   0.00087   0.00349  -0.08233
   D487       2.00996  -0.00001   0.00303   0.00129   0.00433   2.01429
   D488      -2.18943   0.00000   0.00278   0.00111   0.00389  -2.18554
   D489      -3.13888   0.00001   0.00261   0.00120   0.00381  -3.13507
   D490      -1.04310  -0.00001   0.00303   0.00162   0.00465  -1.03845
   D491       1.04069   0.00000   0.00277   0.00144   0.00421   1.04491
         Item               Value     Threshold  Converged?
 Maximum Force            0.000041     0.000450     YES
 RMS     Force            0.000007     0.000300     YES
 Maximum Displacement     0.043130     0.001800     NO 
 RMS     Displacement     0.006136     0.001200     NO 
 Predicted change in Energy=-1.680258D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:45:05 2016, MaxMem=  2952790016 cpu:        11.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.804047   -0.589202    1.662688
      2          6           0       -2.071763    1.127506   -1.358320
      3          8           0       -2.619596    0.148319   -1.894003
      4          7           0       -0.776619    1.179222   -0.943276
      5          1           0       -2.623955    2.063772   -1.141391
      6          6           0       -0.241883    2.344669   -0.238395
      7          1           0       -1.003427    3.135973   -0.201260
      8          1           0        0.043659    2.061749    0.787808
      9          1           0        0.650899    2.722089   -0.763264
     10          6           0        0.137703    0.048993   -1.123013
     11          1           0        0.708024   -0.105939   -0.193604
     12          1           0       -0.441021   -0.855470   -1.351930
     13          1           0        0.845934    0.252683   -1.943081
     14          6           0       -2.034191   -3.980711    2.655955
     15          8           0       -2.168565   -3.809295    3.879704
     16          7           0       -2.961148   -3.675968    1.707461
     17          1           0       -1.102425   -4.392006    2.219160
     18          6           0       -4.259161   -3.093007    2.055183
     19          1           0       -4.498926   -2.297771    1.331464
     20          1           0       -5.051990   -3.858526    2.013353
     21          1           0       -4.210600   -2.670817    3.066889
     22          6           0       -2.697574   -3.878357    0.282684
     23          1           0       -3.406199   -4.611006   -0.137363
     24          1           0       -2.822748   -2.923727   -0.254861
     25          1           0       -1.669554   -4.241063    0.143773
     26          6           0        1.589479    0.365003    2.595404
     27          8           0        1.439951    1.386545    3.286773
     28          7           0        1.196374   -0.890227    2.945573
     29          1           0        2.061791    0.396591    1.593746
     30          6           0        1.482566   -2.048124    2.097428
     31          1           0        2.236946   -2.696896    2.573499
     32          1           0        0.562867   -2.636674    1.948814
     33          1           0        1.854051   -1.705923    1.121650
     34          6           0        0.560752   -1.152520    4.239255
     35          1           0        1.310047   -1.461382    4.988104
     36          1           0        0.053227   -0.242924    4.585049
     37          1           0       -0.173424   -1.962150    4.119002
     38          6           0       -4.606895    1.062696    2.887430
     39          8           0       -4.851749    1.637588    1.812809
     40          7           0       -3.545095    1.324096    3.697618
     41          1           0       -5.242623    0.240342    3.272843
     42          6           0       -2.554723    2.351643    3.364200
     43          1           0       -2.631673    2.603593    2.298544
     44          1           0       -2.716972    3.257664    3.970973
     45          1           0       -1.548665    1.960068    3.578875
     46          6           0       -3.267465    0.518449    4.886765
     47          1           0       -4.069343   -0.218101    5.032844
     48          1           0       -2.306137   -0.008147    4.761098
     49          1           0       -3.199344    1.166811    5.775237
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485003   0.000000
     3  O    3.722782   1.243336   0.000000
     4  N    3.312699   1.361004   2.315860   0.000000
     5  H    3.946312   1.108408   2.058010   2.057748   0.000000
     6  C    3.829108   2.466613   3.635727   1.463238   2.562923
     7  H    4.241725   2.552267   3.795189   2.104971   2.158605
     8  H    3.347682   3.154946   4.236302   2.109114   3.292109
     9  H    4.782954   3.210868   4.312656   2.109656   3.361701
    10  C    3.455114   2.469878   2.864784   1.464824   3.418542
    11  H    3.160675   3.256557   3.745539   2.101859   4.087546
    12  H    3.319136   2.567402   2.459192   2.102284   3.651233
    13  H    4.553322   3.101648   3.467449   2.119143   3.995358
    14  C    3.541452   6.496899   6.172009   6.415673   7.162641
    15  O    3.926452   7.198490   7.014401   7.077001   7.740264
    16  N    3.296819   5.767441   5.264254   5.947389   6.416718
    17  H    3.906822   6.648533   6.311456   6.414494   7.435417
    18  C    3.528552   5.852303   5.365672   6.274615   6.283658
    19  H    3.208004   4.985838   4.463057   5.578484   5.352905
    20  H    4.621751   6.716432   6.102358   7.238740   7.135922
    21  H    3.477988   6.211631   5.923620   6.534252   6.530191
    22  C    3.677138   5.305016   4.578008   5.547265   6.110835
    23  H    4.688495   6.016808   5.133780   6.410220   6.795045
    24  H    3.188221   4.265453   3.487910   4.636243   5.069575
    25  H    3.957433   5.589238   4.931712   5.599866   6.504880
    26  C    3.646434   5.442245   6.157762   4.334008   5.882387
    27  O    4.130951   5.828904   6.697281   4.780113   6.048356
    28  N    3.277031   5.768489   6.249936   4.826849   6.326476
    29  H    3.990143   5.131783   5.843066   3.886588   5.675975
    30  C    3.622055   5.887281   6.130548   4.976501   6.652906
    31  H    4.647750   6.974971   7.186086   6.039336   7.751950
    32  H    3.142657   5.661048   5.714149   4.971868   6.465245
    33  H    3.862831   5.439723   5.704901   4.416832   6.275707
    34  C    3.542357   6.592533   7.030195   5.838168   7.031234
    35  H    4.638607   7.643041   8.086818   6.819694   8.091588
    36  H    3.479880   6.458893   7.019627   5.768320   6.729062
    37  H    3.252291   6.568921   6.825985   5.988215   7.062923
    38  C    3.476308   4.945451   5.258093   5.418385   4.600609
    39  O    3.777515   4.247890   4.576121   4.940930   3.724513
    40  N    3.291336   5.269901   5.788369   5.405861   4.981127
    41  H    3.886457   5.682349   5.795260   6.213078   5.446814
    42  C    3.479543   4.902443   5.701538   4.805264   4.515309
    43  H    3.359050   3.983087   4.858597   3.997431   3.482043
    44  H    4.578208   5.775399   6.638934   5.677563   5.250743
    45  H    3.199338   5.034151   5.863592   4.653560   4.842305
    46  C    3.709873   6.387624   6.821697   6.374191   6.256261
    47  H    4.077650   6.829931   7.086412   6.964808   6.739234
    48  H    3.192157   6.228316   6.664316   6.024048   6.263644
    49  H    4.684388   7.222230   7.758264   7.141999   6.998239
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098859   0.000000
     8  H    1.102120   1.796831   0.000000
     9  H    1.102267   1.795534   1.791818   0.000000
    10  C    2.489330   3.417785   2.776917   2.745584   0.000000
    11  H    2.628652   3.665940   2.470510   2.885397   1.101395
    12  H    3.394187   4.191892   3.650145   3.786521   1.097897
    13  H    2.909590   3.842843   3.372554   2.743715   1.102540
    14  C    7.183318   7.737787   6.657234   7.989261   5.936012
    15  O    7.651281   8.139322   6.994492   8.495027   6.725506
    16  N    6.886859   7.340193   6.541868   7.751548   5.611577
    17  H    7.222389   7.908142   6.709191   7.910711   5.694779
    18  C    7.139142   7.381839   6.833156   8.115890   6.269410
    19  H    6.491465   6.640281   6.319499   7.490499   5.747181
    20  H    8.166219   8.379642   7.906787   9.139860   7.213766
    21  H    7.199355   7.394970   6.759447   8.209000   6.622717
    22  C    6.710290   7.232231   6.561583   7.474768   5.043694
    23  H    7.642285   8.111293   7.568562   8.403932   5.936862
    24  H    5.866611   6.327145   5.844521   6.648302   4.284276
    25  H    6.749530   7.415081   6.563179   7.395451   4.824469
    26  C    3.911953   4.714103   2.921628   4.209208   4.004265
    27  O    4.021614   4.604017   2.941149   4.336943   4.788644
    28  N    4.761385   5.563450   3.833910   5.205943   4.307704
    29  H    3.529683   4.485736   2.737726   3.599174   3.347195
    30  C    5.265589   6.191849   4.547155   5.624070   4.071584
    31  H    6.282414   7.226457   5.535694   6.558577   5.060724
    32  H    5.499572   6.356065   4.867514   6.006618   4.102401
    33  H    4.759198   5.775745   4.193367   4.960622   3.326273
    34  C    5.737935   6.368360   4.744618   6.328184   5.511490
    35  H    6.649120   7.308717   5.626605   7.142418   6.403232
    36  H    5.481636   5.953337   4.441920   6.144344   5.716146
    37  H    6.127013   6.733828   5.228360   6.816019   5.623186
    38  C    5.519743   5.179138   5.199440   6.612529   6.294637
    39  O    5.094925   4.594695   5.019519   6.171826   6.003109
    40  N    5.238795   4.994420   4.678706   6.281737   6.198981
    41  H    6.462537   6.198779   6.118636   7.561933   6.950401
    42  C    4.281117   3.966636   3.670617   5.239198   5.717205
    43  H    3.494881   3.030452   3.119828   4.490433   5.089448
    44  H    4.967736   4.512048   4.379936   5.834586   6.662839
    45  H    4.053041   3.996181   3.214948   4.926756   5.348251
    46  C    6.225471   6.153479   5.490608   7.220279   6.923366
    47  H    7.000228   6.931487   6.335207   8.032451   7.460908
    48  H    5.898459   6.017271   5.058958   6.834971   6.371686
    49  H    6.804240   6.664696   6.016015   7.745660   7.744110
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795500   0.000000
    13  H    1.791173   1.798253   0.000000
    14  C    5.536568   5.326205   6.882433   0.000000
    15  O    6.211396   6.251358   7.713085   1.242981   0.000000
    16  N    5.460950   4.864784   6.576825   1.360793   2.316161
    17  H    5.241138   5.069244   6.534026   1.108215   2.057574
    18  C    6.217117   5.585086   7.296695   2.469703   2.865752
    19  H    5.851691   5.074192   6.767200   3.265191   3.769457
    20  H    7.220134   6.450156   8.206152   3.087876   3.435088
    21  H    6.434460   6.085325   7.695141   2.573217   2.475219
    22  C    5.104516   4.111184   5.880133   2.466367   3.636368
    23  H    6.101281   4.936750   6.707960   3.175264   4.279171
    24  H    4.517746   3.339741   5.137985   3.195604   4.278646
    25  H    4.781835   3.899828   5.556652   2.551822   3.793759
    26  C    2.962653   4.603686   4.600361   5.658612   5.761691
    27  O    3.856974   5.484729   5.384225   6.424566   6.353716
    28  N    3.272312   4.599000   5.032692   4.480125   4.551523
    29  H    2.297790   4.063094   3.742748   6.088196   6.388348
    30  C    3.101746   4.125613   4.693051   4.051472   4.428203
    31  H    4.087484   5.096210   5.570855   4.460672   4.727803
    32  H    3.318983   3.882704   4.855446   3.008521   3.544586
    33  H    2.367112   3.479831   3.774257   4.758905   5.311540
    34  C    4.557111   5.687982   6.346433   4.152016   3.825820
    35  H    5.389782   6.605255   7.155051   4.792690   4.340736
    36  H    4.825251   5.988924   6.594732   4.695718   4.260618
    37  H    4.777137   5.588152   6.534021   3.110877   2.729431
    38  C    6.253546   6.245481   7.329618   5.666422   5.537721
    39  O    6.162520   5.973729   6.963352   6.341515   6.414052
    40  N    5.939329   6.315356   7.228178   5.613277   5.317865
    41  H    6.895387   6.756087   8.017266   5.337778   5.120319
    42  C    5.416936   6.082367   6.643594   6.393064   6.194514
    43  H    4.970507   5.485438   5.967572   6.621011   6.621153
    44  H    6.355165   7.101487   7.529957   7.388473   7.088793
    45  H    4.857224   5.785064   6.256298   6.031615   5.810363
    46  C    6.481090   6.985539   7.977311   5.171066   4.577240
    47  H    7.081777   7.371316   8.546644   4.893739   4.223667
    48  H    5.800328   6.447149   7.412800   4.504093   3.904421
    49  H    7.246687   7.905344   8.761982   6.130619   5.423761
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056550   0.000000
    18  C    1.464784   3.417495   0.000000
    19  H    2.098942   4.087791   1.101660   0.000000
    20  H    2.120971   3.990742   1.102882   1.790757   0.000000
    21  H    2.102262   3.652655   1.097338   1.798331   1.796811
    22  C    1.463018   2.560913   2.489394   2.615924   2.922137
    23  H    2.115595   3.302808   2.799843   2.950010   2.810771
    24  H    2.106117   3.352035   2.725481   2.391196   3.314841
    25  H    2.105390   2.156768   3.417248   3.632126   3.883625
    26  C    6.150292   5.478781   6.815883   6.764361   7.892154
    27  O    6.891513   6.402744   7.352761   7.257250   8.442611
    28  N    5.155411   4.251424   5.950453   6.084650   6.980107
    29  H    6.467502   5.773567   7.234961   7.097280   8.299878
    30  C    4.748531   3.491530   5.836180   6.035501   6.781228
    31  H    5.359924   3.761695   6.528780   6.861043   7.402144
    32  H    3.681992   2.434641   4.844740   5.110550   5.746626
    33  H    5.235493   4.142501   6.337732   6.383934   7.288500
    34  C    5.018122   4.164278   5.636242   5.947031   6.616644
    35  H    5.823240   4.698471   6.502331   6.914819   7.420982
    36  H    5.399329   4.914045   5.754988   5.960730   6.763833
    37  H    4.064986   3.221280   4.715022   5.156837   5.641845
    38  C    5.153227   6.517796   4.252461   3.704785   5.018023
    39  O    5.640864   7.111860   4.773724   3.980356   5.503416
    40  N    5.413165   6.389546   4.766370   4.430169   5.653942
    41  H    4.795105   6.301598   3.682541   3.280862   4.292247
    42  C    6.264348   6.992645   5.853447   5.434058   6.828421
    43  H    6.315918   7.161237   5.929519   5.333409   6.906392
    44  H    7.297833   8.012057   6.810259   6.403532   7.741108
    45  H    6.104277   6.511282   5.933127   5.646600   6.969949
    46  C    5.272091   5.993003   4.695097   4.699762   5.531632
    47  H    4.923729   5.843021   4.143377   4.267291   4.830695
    48  H    4.817328   5.208512   4.544518   4.670449   5.469482
    49  H    6.328985   6.924102   5.753961   5.782677   6.545081
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391047   0.000000
    23  H    3.831269   1.102436   0.000000
    24  H    3.608895   1.102698   1.789171   0.000000
    25  H    4.179377   1.098944   1.797730   1.795589   0.000000
    26  C    6.563491   6.460154   7.562108   6.197378   6.152042
    27  O    6.959833   7.339132   8.436854   7.020842   7.156636
    28  N    5.693908   5.584149   6.673258   5.525508   5.224148
    29  H    7.135968   6.530361   7.613914   6.188746   6.126433
    30  C    5.808592   4.910867   5.955055   4.983541   4.308318
    31  H    6.466449   5.567151   6.546578   5.800998   4.852706
    32  H    4.902780   3.866295   4.899347   4.049811   3.288759
    33  H    6.441658   5.112789   6.139613   5.024965   4.449602
    34  C    5.142516   5.805284   6.844896   5.897654   5.593418
    35  H    5.969200   6.636548   7.644182   6.834262   6.330259
    36  H    5.136117   6.268462   7.304036   6.235596   6.219165
    37  H    4.231778   4.975994   5.965226   5.203290   4.820196
    38  C    3.758773   5.902899   6.540790   5.380403   6.654734
    39  O    4.532785   6.116159   6.703559   5.403490   6.889890
    40  N    4.098786   6.280572   7.067659   5.847040   6.864289
    41  H    3.095535   5.690519   6.207861   5.320886   6.529999
    42  C    5.296737   6.951909   7.839925   6.403043   7.390428
    43  H    5.559026   6.788498   7.654016   6.091605   7.240029
    44  H    6.180225   8.032848   8.903337   7.488555   8.483834
    45  H    5.365923   6.802357   7.774308   6.338160   7.090032
    46  C    3.791158   6.391733   7.181394   6.203440   6.906681
    47  H    3.146545   6.151686   6.816774   6.069121   6.770983
    48  H    3.686074   5.931942   6.811121   5.824718   6.296229
    49  H    4.804704   7.474866   8.269510   7.296328   7.956050
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242537   0.000000
    28  N    1.361159   2.315047   0.000000
    29  H    1.107879   2.057434   2.057252   0.000000
    30  C    2.466291   3.635012   1.463551   2.562387   0.000000
    31  H    3.129684   4.221191   2.117848   3.249655   1.103013
    32  H    3.237604   4.329631   2.108302   3.401991   1.101964
    33  H    2.555520   3.797709   2.103471   2.164855   1.098747
    34  C    2.462398   2.850801   1.465069   3.413442   2.497853
    35  H    3.023042   3.319954   2.123928   3.941935   2.954663
    36  H    2.586181   2.502738   2.100873   3.659400   3.389692
    37  H    3.293147   3.809113   2.098166   4.115430   2.614662
    38  C    6.242363   6.068665   6.123334   6.825591   6.883519
    39  O    6.612211   6.466923   6.652278   7.027454   7.334101
    40  N    5.338406   5.002338   5.286807   6.060010   6.261777
    41  H    6.866737   6.780175   6.545684   7.496549   7.200475
    42  C    4.659634   4.110333   4.975510   5.316855   6.104290
    43  H    4.787226   4.363018   5.222966   5.234139   6.213364
    44  H    5.367047   4.609688   5.794025   6.055867   7.021230
    45  H    3.655050   3.057135   4.007554   4.406880   5.239146
    46  C    5.372502   5.047111   5.067391   6.265764   6.077046
    47  H    6.188973   5.997998   5.704054   7.056632   6.541356
    48  H    4.472728   4.260514   4.042497   5.410613   5.060723
    49  H    5.804055   5.269136   5.617894   6.764440   6.766267
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787848   0.000000
    33  H    1.799028   1.793781   0.000000
    34  C    2.823024   2.729256   3.420283   0.000000
    35  H    2.866348   3.343183   3.912187   1.103456   0.000000
    36  H    3.851875   3.597153   4.168748   1.097506   1.796299
    37  H    2.956064   2.388896   3.627730   1.099534   1.790752
    38  C    7.814809   6.425946   7.247554   5.782662   6.767127
    39  O    8.343620   6.899702   7.524927   6.554960   7.593013
    40  N    7.131902   5.968364   6.705774   4.825451   5.744271
    41  H    8.066003   6.613168   7.666704   6.045922   6.983944
    42  C    7.005216   6.050289   6.397668   4.769807   5.666804
    43  H    7.202378   6.147178   6.330776   5.297766   6.268566
    44  H    7.870897   7.041995   7.324622   5.501379   6.286559
    45  H    6.085141   5.314669   5.572783   3.817583   4.675947
    46  C    6.781459   5.766958   6.734526   4.226896   4.988348
    47  H    7.208473   6.067793   7.252423   4.789645   5.521376
    48  H    5.714417   4.800967   5.782317   3.130649   3.903871
    49  H    7.398148   6.577404   7.446158   4.677270   5.278407
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795635   0.000000
    38  C    5.128673   5.506553   0.000000
    39  O    5.939733   6.337457   1.243087   0.000000
    40  N    4.023805   4.727065   1.360938   2.314762   0.000000
    41  H    5.477358   5.591398   1.108585   2.058343   2.058289
    42  C    3.876036   4.984889   2.469838   2.862344   1.465557
    43  H    4.532048   5.495732   2.573451   2.469380   2.104486
    44  H    4.506130   5.808442   3.092533   3.440871   2.121131
    45  H    2.903725   4.191278   3.261310   3.759434   2.098641
    46  C    3.420192   4.039297   2.467310   3.634781   1.462948
    47  H    4.146893   4.365203   2.555817   3.797942   2.106190
    48  H    2.377543   2.962917   3.154492   4.228592   2.107339
    49  H    3.739401   4.657220   3.214260   4.318901   2.112057
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419172   0.000000
    43  H    3.653939   1.097735   0.000000
    44  H    3.996314   1.102440   1.797805   0.000000
    45  H    4.086128   1.100713   1.796185   1.789536   0.000000
    46  C    2.565802   2.487329   3.383925   2.940240   2.596751
    47  H    2.164337   3.417898   4.183927   3.877811   3.634868
    48  H    3.301454   2.753494   3.604349   3.385056   2.417703
    49  H    3.360849   2.762691   3.804469   2.803518   2.859721
                   46         47         48         49
    46  C    0.000000
    47  H    1.098570   0.000000
    48  H    1.103289   1.796336   0.000000
    49  H    1.101996   1.796115   1.790760   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2150192      0.1953704      0.1839708
 Leave Link  202 at Mon Nov 14 04:45:05 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.5460378436 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1844735234 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.3615643201 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4026
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.41D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     201
 GePol: Fraction of low-weight points (<1% of avg)   =       4.99%
 GePol: Cavity surface area                          =    468.657 Ang**2
 GePol: Cavity volume                                =    458.574 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040440740 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.3575202461 Hartrees.
 Leave Link  301 at Mon Nov 14 04:45:05 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37509.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:45:06 2016, MaxMem=  2952790016 cpu:        12.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:45:07 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.004578   -0.002678   -0.002183
         Rot=    1.000000    0.000228    0.000022    0.000148 Ang=   0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50891786215    
 Leave Link  401 at Mon Nov 14 04:45:14 2016, MaxMem=  2952790016 cpu:        81.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48626028.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   3279.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.70D-15 for   1753   1044.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.21D-15 for    280.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.53D-11 for   1390   1371.
 E= -1013.45115436336    
 DIIS: error= 3.84D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45115436336     IErMin= 1 ErrMin= 3.84D-04
 ErrMax= 3.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-04 BMatP= 1.74D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.84D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=6.79D-05 MaxDP=2.13D-03              OVMax= 2.80D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.79D-05    CP:  1.00D+00
 E= -1013.45141648037     Delta-E=       -0.000262117010 Rises=F Damp=F
 DIIS: error= 6.18D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141648037     IErMin= 2 ErrMin= 6.18D-05
 ErrMax= 6.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-06 BMatP= 1.74D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.251D-01 0.975D+00
 Coeff:      0.251D-01 0.975D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.69D-05 MaxDP=1.37D-03 DE=-2.62D-04 OVMax= 1.27D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.66D-05    CP:  1.00D+00  9.58D-01
 E= -1013.45140150510     Delta-E=        0.000014975274 Rises=F Damp=F
 DIIS: error= 1.81D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141648037     IErMin= 2 ErrMin= 6.18D-05
 ErrMax= 1.81D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-05 BMatP= 3.60D-06
 IDIUse=3 WtCom= 4.26D-01 WtEn= 5.74D-01
 Coeff-Com:  0.223D-02 0.720D+00 0.277D+00
 Coeff-En:   0.000D+00 0.800D+00 0.200D+00
 Coeff:      0.952D-03 0.766D+00 0.233D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=9.17D-04 DE= 1.50D-05 OVMax= 1.05D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.70D-06    CP:  1.00D+00  9.69D-01  4.07D-01
 E= -1013.45141941546     Delta-E=       -0.000017910362 Rises=F Damp=F
 DIIS: error= 1.77D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141941546     IErMin= 4 ErrMin= 1.77D-05
 ErrMax= 1.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-07 BMatP= 3.60D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.484D-04 0.252D+00 0.273D-01 0.721D+00
 Coeff:     -0.484D-04 0.252D+00 0.273D-01 0.721D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.10D-06 MaxDP=9.88D-05 DE=-1.79D-05 OVMax= 1.05D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.11D-06    CP:  1.00D+00  9.76D-01  3.18D-01  7.58D-01
 E= -1013.45141961986     Delta-E=       -0.000000204394 Rises=F Damp=F
 DIIS: error= 1.09D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141961986     IErMin= 5 ErrMin= 1.09D-05
 ErrMax= 1.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.13D-08 BMatP= 2.77D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.780D-05 0.139D+00 0.746D-02 0.471D+00 0.383D+00
 Coeff:     -0.780D-05 0.139D+00 0.746D-02 0.471D+00 0.383D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.03D-07 MaxDP=4.48D-05 DE=-2.04D-07 OVMax= 3.88D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.33D-07    CP:  1.00D+00  9.76D-01  3.17D-01  7.83D-01  6.72D-01
 E= -1013.45141965638     Delta-E=       -0.000000036528 Rises=F Damp=F
 DIIS: error= 1.09D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141965638     IErMin= 6 ErrMin= 1.09D-06
 ErrMax= 1.09D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.18D-10 BMatP= 4.13D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-04 0.376D-01 0.924D-03 0.139D+00 0.159D+00 0.664D+00
 Coeff:     -0.192D-04 0.376D-01 0.924D-03 0.139D+00 0.159D+00 0.664D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.64D-08 MaxDP=5.30D-06 DE=-3.65D-08 OVMax= 5.18D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.54D-08    CP:  1.00D+00  9.76D-01  3.18D-01  7.88D-01  6.67D-01
                    CP:  8.92D-01
 E= -1013.45141965672     Delta-E=       -0.000000000340 Rises=F Damp=F
 DIIS: error= 3.72D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141965672     IErMin= 7 ErrMin= 3.72D-07
 ErrMax= 3.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-10 BMatP= 6.18D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-04 0.975D-02-0.657D-04 0.397D-01 0.591D-01 0.394D+00
 Coeff-Com:  0.498D+00
 Coeff:     -0.139D-04 0.975D-02-0.657D-04 0.397D-01 0.591D-01 0.394D+00
 Coeff:      0.498D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.91D-08 MaxDP=1.50D-06 DE=-3.40D-10 OVMax= 2.15D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.73D-08    CP:  1.00D+00  9.76D-01  3.18D-01  7.89D-01  6.71D-01
                    CP:  8.92D-01  6.79D-01
 E= -1013.45141965689     Delta-E=       -0.000000000168 Rises=F Damp=F
 DIIS: error= 1.91D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45141965689     IErMin= 8 ErrMin= 1.91D-07
 ErrMax= 1.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-11 BMatP= 1.60D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.806D-05 0.411D-02-0.727D-04 0.176D-01 0.293D-01 0.222D+00
 Coeff-Com:  0.338D+00 0.389D+00
 Coeff:     -0.806D-05 0.411D-02-0.727D-04 0.176D-01 0.293D-01 0.222D+00
 Coeff:      0.338D+00 0.389D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.71D-08 MaxDP=1.00D-06 DE=-1.68D-10 OVMax= 1.72D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.29D-08    CP:  1.00D+00  9.76D-01  3.18D-01  7.88D-01  6.73D-01
                    CP:  8.92D-01  6.78D-01  6.00D-01
 E= -1013.45141965687     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 8.39D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45141965689     IErMin= 9 ErrMin= 8.39D-08
 ErrMax= 8.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.09D-12 BMatP= 2.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.290D-05 0.655D-03-0.133D-04 0.320D-02 0.722D-02 0.677D-01
 Coeff-Com:  0.131D+00 0.312D+00 0.478D+00
 Coeff:     -0.290D-05 0.655D-03-0.133D-04 0.320D-02 0.722D-02 0.677D-01
 Coeff:      0.131D+00 0.312D+00 0.478D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.33D-09 MaxDP=3.21D-07 DE= 2.50D-11 OVMax= 5.91D-07

 Error on total polarization charges =  0.04316
 SCF Done:  E(RB97D) =  -1013.45141966     A.U. after    9 cycles
            NFock=  9  Conv=0.63D-08     -V/T= 2.0213
 KE= 9.923510595342D+02 PE=-6.030254524763D+03 EE= 2.175094525325D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:46:59 2016, MaxMem=  2952790016 cpu:      1209.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37509.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     363
 Leave Link  701 at Mon Nov 14 04:47:07 2016, MaxMem=  2952790016 cpu:        96.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:47:07 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:47:44 2016, MaxMem=  2952790016 cpu:       440.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.22974577D+00-2.55190139D+00 3.31989912D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000094087   -0.000156864   -0.000215986
      2        6           0.000132119    0.000056622    0.000056539
      3        8           0.000004897   -0.000001488   -0.000018519
      4        7          -0.000147306   -0.000032081    0.000051573
      5        1           0.000005960    0.000031946   -0.000036850
      6        6           0.000052296    0.000059671    0.000068872
      7        1           0.000011466    0.000005155    0.000017261
      8        1          -0.000024191    0.000049353   -0.000024783
      9        1           0.000019632   -0.000017709    0.000033451
     10        6           0.000118120   -0.000039155    0.000042859
     11        1          -0.000005498    0.000101908    0.000028636
     12        1           0.000017215    0.000033012   -0.000021000
     13        1           0.000011564    0.000028779    0.000015733
     14        6           0.000039265    0.000016457    0.000133604
     15        8          -0.000027264   -0.000016846   -0.000026266
     16        7          -0.000065430    0.000016027   -0.000037928
     17        1          -0.000007555   -0.000000055   -0.000028953
     18        6          -0.000083832    0.000049336    0.000036088
     19        1          -0.000020461    0.000068044    0.000023786
     20        1           0.000007449    0.000004613   -0.000046360
     21        1           0.000037495    0.000043788   -0.000043850
     22        6           0.000018866    0.000051513   -0.000181931
     23        1           0.000031230   -0.000032927    0.000018274
     24        1           0.000074724   -0.000008610   -0.000028531
     25        1           0.000014891    0.000034438   -0.000001036
     26        6          -0.000032166   -0.000024333    0.000041449
     27        8          -0.000049050    0.000012056    0.000039116
     28        7           0.000061063    0.000118667   -0.000008915
     29        1          -0.000009995   -0.000015118    0.000011724
     30        6          -0.000064184   -0.000060492   -0.000071601
     31        1          -0.000011583    0.000007336    0.000045781
     32        1           0.000006894   -0.000015012    0.000057290
     33        1           0.000038146   -0.000003057    0.000036579
     34        6          -0.000028873   -0.000112897   -0.000014064
     35        1          -0.000014980   -0.000006730    0.000009264
     36        1          -0.000048255   -0.000026283   -0.000019654
     37        1           0.000011980   -0.000042824    0.000020537
     38        6          -0.000145033   -0.000039299   -0.000106103
     39        8           0.000063965   -0.000019024    0.000033810
     40        7           0.000113418    0.000073916    0.000005533
     41        1           0.000008940    0.000011584    0.000028740
     42        6           0.000080076   -0.000153516    0.000030111
     43        1           0.000012388    0.000090451    0.000038017
     44        1          -0.000076349    0.000038657   -0.000031749
     45        1           0.000011447    0.000025051   -0.000014955
     46        6          -0.000034695   -0.000001906    0.000177147
     47        1           0.000000031   -0.000057277   -0.000075933
     48        1          -0.000004827   -0.000123021   -0.000020344
     49        1          -0.000009929   -0.000021857   -0.000026464
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000215986 RMS     0.000059116
 Leave Link  716 at Mon Nov 14 04:47:44 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000069487 RMS     0.000013890
 Search for a local minimum.
 Step number 106 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .13890D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
                                                    101  102  103  104  105
                                                    106
 DE= -1.82D-06 DEPred=-1.68D-06 R= 1.08D+00
 TightC=F SS=  1.41D+00  RLast= 1.51D-01 DXNew= 5.9730D-01 4.5294D-01
 Trust test= 1.08D+00 RLast= 1.51D-01 DXMaxT set to 4.53D-01
 ITU=  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1
 ITU=  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1
 ITU=  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00003   0.00059   0.00096   0.00099
     Eigenvalues ---    0.00109   0.00164   0.00182   0.00207   0.00228
     Eigenvalues ---    0.00252   0.00283   0.00385   0.00426   0.00448
     Eigenvalues ---    0.00567   0.00687   0.00714   0.00801   0.00828
     Eigenvalues ---    0.00841   0.00935   0.01023   0.01053   0.01131
     Eigenvalues ---    0.01213   0.01235   0.01276   0.01326   0.01444
     Eigenvalues ---    0.01554   0.01584   0.01717   0.01754   0.01812
     Eigenvalues ---    0.01829   0.01873   0.01909   0.01962   0.02060
     Eigenvalues ---    0.02129   0.02283   0.02343   0.02433   0.02522
     Eigenvalues ---    0.02553   0.02856   0.03029   0.03099   0.03239
     Eigenvalues ---    0.03869   0.04356   0.04516   0.05113   0.05631
     Eigenvalues ---    0.05856   0.05950   0.06223   0.06272   0.06518
     Eigenvalues ---    0.06715   0.06775   0.06917   0.07345   0.07469
     Eigenvalues ---    0.07568   0.07873   0.08007   0.08107   0.08277
     Eigenvalues ---    0.08344   0.08561   0.08866   0.08976   0.09282
     Eigenvalues ---    0.09375   0.09527   0.09548   0.09816   0.09949
     Eigenvalues ---    0.10112   0.10376   0.10641   0.10738   0.10859
     Eigenvalues ---    0.11245   0.11332   0.11514   0.12942   0.13254
     Eigenvalues ---    0.13458   0.14390   0.14942   0.15130   0.15411
     Eigenvalues ---    0.15622   0.17549   0.21159   0.22302   0.23365
     Eigenvalues ---    0.23600   0.24712   0.24726   0.26200   0.26744
     Eigenvalues ---    0.27032   0.28009   0.28322   0.29256   0.29629
     Eigenvalues ---    0.29938   0.30579   0.32814   0.32826   0.32841
     Eigenvalues ---    0.32929   0.33300   0.33357   0.33364   0.33386
     Eigenvalues ---    0.33422   0.33445   0.33516   0.33608   0.33707
     Eigenvalues ---    0.33799   0.33823   0.33862   0.33943   0.33965
     Eigenvalues ---    0.34045   0.34241   0.34269   0.37221   0.39727
     Eigenvalues ---    0.40190   0.42352   0.85957   0.86135   0.86669
     Eigenvalues ---    0.89307
 Eigenvalue     1 is   5.53D-06 Eigenvector:
                         D381      D399      D383      D385      D387
   1                   -0.17624  -0.17604  -0.14984  -0.14936  -0.14438
                         D397      D403      D395      D405      D147
   1                   -0.14407  -0.13004  -0.12998  -0.12965  -0.12547
 Eigenvalue     2 is   2.55D-05 Eigenvector:
                         D391      D389      D377      D379      D407
   1                   -0.21582  -0.20217  -0.19125  -0.18991  -0.18752
                         D369      D371      D401      D393      D405
   1                   -0.18396  -0.18248  -0.18195  -0.18136  -0.17993
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   106  105  104  103  102
 RFO step:  Lambda=-3.65155497D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.76D-07 SmlDif=  1.00D-05
 RMS Error=  0.4511787712D-04 NUsed= 5 EDIIS=F
 Point number   5 has GDIIS coefficient -1.68D+01 and has been removed
 DidBck=F Rises=F RFO-DIIS coefs:    1.03951   -1.46350    1.19799    0.22599    0.00000
 Iteration  1 RMS(Cart)=  0.00223240 RMS(Int)=  0.00001169
 Iteration  2 RMS(Cart)=  0.00000375 RMS(Int)=  0.00001007
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001007
 ITry= 1 IFail=0 DXMaxC= 1.63D-02 DCOld= 1.00D+10 DXMaxT= 4.53D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58570   0.00002   0.00142  -0.00283  -0.00141   6.58429
    R2        6.26009  -0.00001   0.00026  -0.00072  -0.00046   6.25963
    R3        7.23597   0.00000   0.00219  -0.00658  -0.00440   7.23157
    R4        6.32620   0.00002   0.00283  -0.00950  -0.00667   6.31953
    R5        6.52922   0.00000  -0.00019   0.00093   0.00074   6.52996
    R6        5.97281  -0.00002   0.00008   0.00025   0.00033   5.97314
    R7        6.69237  -0.00002   0.00149  -0.00437  -0.00289   6.68949
    R8        6.23008  -0.00003  -0.00011  -0.00058  -0.00069   6.22939
    R9        6.66800  -0.00003  -0.00079  -0.00019  -0.00098   6.66702
   R10        6.06225  -0.00002   0.00036  -0.00181  -0.00145   6.06080
   R11        6.94878   0.00000   0.00060  -0.00199  -0.00140   6.94738
   R12        6.02486   0.00001   0.00042  -0.00109  -0.00067   6.02420
   R13        6.89076  -0.00005  -0.00029  -0.00072  -0.00100   6.88976
   R14        6.19269  -0.00001   0.00015   0.00046   0.00061   6.19330
   R15        6.84469   0.00002   0.00205  -0.00336  -0.00129   6.84340
   R16        5.93876   0.00002   0.00130  -0.00113   0.00017   5.93893
   R17        6.69409  -0.00002  -0.00119   0.00272   0.00153   6.69562
   R18        6.56927  -0.00001   0.00113  -0.00357  -0.00243   6.56684
   R19        6.21972  -0.00001   0.00032  -0.00061  -0.00029   6.21943
   R20        6.57538   0.00000  -0.00006  -0.00062  -0.00068   6.57470
   R21        6.04587   0.00002   0.00051  -0.00250  -0.00200   6.04388
   R22        7.01064   0.00002  -0.00025   0.00213   0.00188   7.01253
   R23        6.03230  -0.00001  -0.00180   0.00514   0.00334   6.03564
   R24        2.34957   0.00003   0.00002  -0.00005  -0.00004   2.34953
   R25        2.57193  -0.00007  -0.00007   0.00017   0.00011   2.57203
   R26        2.09459   0.00001   0.00002  -0.00005  -0.00003   2.09456
   R27        2.76512   0.00001   0.00000   0.00008   0.00008   2.76520
   R28        2.76812   0.00003   0.00003  -0.00005  -0.00002   2.76810
   R29        2.07654   0.00000   0.00000   0.00001   0.00001   2.07655
   R30        2.08271  -0.00004  -0.00004  -0.00002  -0.00003   2.08267
   R31        2.08298  -0.00001   0.00000  -0.00005  -0.00004   2.08294
   R32        2.08134  -0.00002  -0.00004   0.00007   0.00002   2.08136
   R33        2.07472  -0.00001  -0.00001   0.00002   0.00001   2.07474
   R34        2.08350   0.00000   0.00000  -0.00001  -0.00001   2.08349
   R35        2.34889   0.00000  -0.00003   0.00007   0.00004   2.34894
   R36        2.57153   0.00006   0.00002  -0.00001   0.00005   2.57158
   R37        2.09422   0.00000  -0.00001   0.00002   0.00001   2.09423
   R38        2.76804   0.00002   0.00007  -0.00005  -0.00001   2.76803
   R39        2.76470   0.00005   0.00006  -0.00004   0.00004   2.76474
   R40        2.08184   0.00000   0.00001  -0.00004  -0.00004   2.08180
   R41        2.08414  -0.00001  -0.00001   0.00000  -0.00001   2.08413
   R42        2.07367   0.00000   0.00004  -0.00009  -0.00005   2.07362
   R43        2.08330   0.00000  -0.00001   0.00001   0.00000   2.08330
   R44        2.08380  -0.00002  -0.00005   0.00011   0.00005   2.08385
   R45        2.07670   0.00000   0.00000   0.00001   0.00000   2.07671
   R46        2.34805   0.00003   0.00003  -0.00003   0.00000   2.34805
   R47        2.57222  -0.00003  -0.00005   0.00009   0.00004   2.57226
   R48        2.09359   0.00001   0.00000  -0.00001   0.00000   2.09358
   R49        2.76571   0.00001  -0.00002   0.00005   0.00003   2.76574
   R50        2.76858   0.00002   0.00004  -0.00011  -0.00008   2.76850
   R51        2.08439   0.00000   0.00000  -0.00002  -0.00002   2.08437
   R52        2.08241   0.00000  -0.00002   0.00005   0.00000   2.08241
   R53        2.07633  -0.00001  -0.00003   0.00009   0.00006   2.07639
   R54        2.08523   0.00000   0.00000  -0.00001  -0.00002   2.08521
   R55        2.07399   0.00000   0.00000   0.00001   0.00001   2.07399
   R56        2.07782   0.00000  -0.00001   0.00005   0.00004   2.07785
   R57        2.34909  -0.00006  -0.00003   0.00003   0.00000   2.34910
   R58        2.57180   0.00007   0.00005   0.00002   0.00007   2.57187
   R59        2.09492  -0.00001   0.00000  -0.00001  -0.00001   2.09492
   R60        2.76950  -0.00002  -0.00002   0.00014   0.00013   2.76963
   R61        2.76457   0.00005   0.00009  -0.00023  -0.00013   2.76444
   R62        2.07442  -0.00001   0.00002  -0.00007  -0.00005   2.07437
   R63        2.08331   0.00003   0.00003  -0.00007  -0.00004   2.08327
   R64        2.08005  -0.00001  -0.00004   0.00015   0.00012   2.08016
   R65        2.07600   0.00001   0.00001  -0.00003  -0.00001   2.07598
   R66        2.08491   0.00002   0.00005  -0.00007  -0.00003   2.08489
   R67        2.08247  -0.00002  -0.00004   0.00008   0.00005   2.08252
    A1        0.68175  -0.00001  -0.00019   0.00051   0.00032   0.68207
    A2        0.95914  -0.00001  -0.00027   0.00064   0.00038   0.95952
    A3        0.72767   0.00000  -0.00007   0.00010   0.00003   0.72770
    A4        1.01999  -0.00001  -0.00012   0.00020   0.00009   1.02007
    A5        2.36012   0.00002  -0.00175   0.00427   0.00256   2.36268
    A6        2.03311   0.00000  -0.00090   0.00214   0.00126   2.03438
    A7        1.97416   0.00000   0.00059  -0.00152  -0.00092   1.97324
    A8        1.67933   0.00000   0.00083  -0.00230  -0.00147   1.67786
    A9        1.66758   0.00000  -0.00138   0.00334   0.00196   1.66953
   A10        1.38450   0.00000  -0.00121   0.00289   0.00167   1.38618
   A11        1.73586  -0.00001  -0.00024   0.00052   0.00029   1.73615
   A12        2.04310  -0.00001  -0.00059   0.00139   0.00081   2.04391
   A13        1.95214   0.00000  -0.00105   0.00248   0.00143   1.95357
   A14        2.04622   0.00001  -0.00175   0.00418   0.00244   2.04866
   A15        2.43432   0.00000  -0.00021   0.00050   0.00031   2.43463
   A16        1.58019   0.00000   0.00095  -0.00160  -0.00066   1.57953
   A17        1.78131   0.00001   0.00092  -0.00151  -0.00059   1.78072
   A18        1.56179   0.00000   0.00077  -0.00127  -0.00049   1.56129
   A19        1.70400  -0.00001   0.00061  -0.00105  -0.00043   1.70357
   A20        2.18459   0.00001   0.00096  -0.00171  -0.00076   2.18383
   A21        2.40335   0.00002   0.00117  -0.00201  -0.00083   2.40252
   A22        0.64434   0.00000  -0.00018   0.00062   0.00045   0.64479
   A23        0.65977   0.00000  -0.00006   0.00012   0.00006   0.65983
   A24        2.42191   0.00001  -0.00267   0.00663   0.00397   2.42589
   A25        2.23872   0.00000  -0.00160   0.00391   0.00232   2.24104
   A26        2.32142   0.00000   0.00008  -0.00028  -0.00018   2.32124
   A27        2.05289  -0.00001   0.00059  -0.00175  -0.00115   2.05174
   A28        1.83138  -0.00001  -0.00164   0.00401   0.00236   1.83374
   A29        1.58765  -0.00001  -0.00131   0.00314   0.00183   1.58948
   A30        1.34168   0.00000  -0.00015   0.00029   0.00015   1.34184
   A31        1.64389   0.00000  -0.00049   0.00120   0.00071   1.64460
   A32        1.59882   0.00001  -0.00097   0.00239   0.00142   1.60024
   A33        1.75771   0.00001  -0.00166   0.00408   0.00243   1.76014
   A34        2.03759   0.00001  -0.00017   0.00043   0.00027   2.03786
   A35        1.84787   0.00000   0.00051  -0.00067  -0.00016   1.84771
   A36        1.91782   0.00000   0.00040  -0.00046  -0.00006   1.91777
   A37        1.57120   0.00000   0.00029  -0.00030  -0.00001   1.57119
   A38        1.59183  -0.00001   0.00015  -0.00016   0.00000   1.59183
   A39        2.27392   0.00001   0.00038  -0.00054  -0.00016   2.27377
   A40        2.36766   0.00002   0.00067  -0.00089  -0.00021   2.36745
   A41        0.69024   0.00000  -0.00017   0.00055   0.00038   0.69063
   A42        0.74809  -0.00001  -0.00023   0.00072   0.00049   0.74857
   A43        2.68947   0.00001  -0.00288   0.00727   0.00440   2.69387
   A44        2.62058   0.00000  -0.00192   0.00480   0.00290   2.62348
   A45        2.65252   0.00000   0.00055  -0.00150  -0.00092   2.65161
   A46        2.34554  -0.00001   0.00082  -0.00228  -0.00145   2.34408
   A47        2.21201  -0.00001  -0.00185   0.00464   0.00279   2.21480
   A48        1.97446  -0.00001  -0.00148   0.00369   0.00220   1.97665
   A49        1.10047   0.00000  -0.00013   0.00038   0.00025   1.10071
   A50        1.46179  -0.00001  -0.00032   0.00096   0.00064   1.46243
   A51        1.56882   0.00000  -0.00090   0.00242   0.00153   1.57034
   A52        1.81020   0.00001  -0.00148   0.00383   0.00236   1.81256
   A53        1.78300   0.00001   0.00017  -0.00030  -0.00012   1.78288
   A54        1.71102   0.00000   0.00011  -0.00001   0.00010   1.71112
   A55        1.64824   0.00000   0.00018  -0.00023  -0.00005   1.64819
   A56        1.24846   0.00000   0.00020  -0.00032  -0.00013   1.24833
   A57        1.21778  -0.00001   0.00021  -0.00049  -0.00028   1.21751
   A58        1.94296   0.00001   0.00027  -0.00053  -0.00026   1.94270
   A59        1.98953   0.00002   0.00075  -0.00123  -0.00049   1.98904
   A60        0.84041   0.00000  -0.00009   0.00069   0.00060   0.84101
   A61        0.77669  -0.00001  -0.00013   0.00093   0.00080   0.77749
   A62        2.62098   0.00001  -0.00189   0.00507   0.00320   2.62418
   A63        2.78960   0.00001  -0.00212   0.00576   0.00365   2.79325
   A64        2.60298  -0.00001   0.00085  -0.00257  -0.00171   2.60127
   A65        2.41038  -0.00001  -0.00176   0.00475   0.00299   2.41337
   A66        2.21306  -0.00001  -0.00142   0.00376   0.00234   2.21540
   A67        0.85790   0.00000  -0.00002   0.00044   0.00042   0.85832
   A68        1.23418   0.00000  -0.00010   0.00078   0.00068   1.23485
   A69        1.41973   0.00001  -0.00060   0.00214   0.00155   1.42127
   A70        1.69513   0.00001  -0.00101   0.00313   0.00213   1.69726
   A71        1.51833   0.00002   0.00036  -0.00055  -0.00019   1.51814
   A72        1.73229   0.00000  -0.00044   0.00074   0.00029   1.73258
   A73        1.56401  -0.00001  -0.00031   0.00040   0.00008   1.56409
   A74        1.13470   0.00000  -0.00029   0.00031   0.00001   1.13470
   A75        1.02569  -0.00001  -0.00015  -0.00003  -0.00020   1.02549
   A76        1.78074   0.00001  -0.00012  -0.00004  -0.00016   1.78058
   A77        1.76842   0.00002   0.00049  -0.00092  -0.00043   1.76798
   A78        2.02588   0.00001  -0.00280   0.00697   0.00417   2.03006
   A79        1.96182   0.00001  -0.00199   0.00489   0.00291   1.96473
   A80        2.22910   0.00001  -0.00088   0.00216   0.00130   2.23040
   A81        2.07971   0.00001   0.00000  -0.00029  -0.00029   2.07943
   A82        1.57000   0.00000  -0.00166   0.00405   0.00239   1.57238
   A83        1.39986   0.00000  -0.00119   0.00284   0.00165   1.40151
   A84        1.19704  -0.00001  -0.00007   0.00000  -0.00007   1.19697
   A85        1.38782  -0.00001  -0.00058   0.00128   0.00071   1.38853
   A86        1.22518   0.00000  -0.00098   0.00236   0.00139   1.22657
   A87        1.33921   0.00001  -0.00169   0.00417   0.00248   1.34169
   A88        1.81382   0.00000  -0.00049   0.00106   0.00058   1.81440
   A89        2.27759   0.00000   0.00061  -0.00092  -0.00031   2.27728
   A90        2.33006   0.00000   0.00019  -0.00004   0.00015   2.33021
   A91        1.93841   0.00000  -0.00001   0.00029   0.00028   1.93870
   A92        1.86591  -0.00001  -0.00028   0.00070   0.00042   1.86634
   A93        2.62038   0.00000  -0.00016   0.00053   0.00038   2.62076
   A94        2.56321   0.00000  -0.00010   0.00065   0.00056   2.56377
   A95        1.94206   0.00002  -0.00261   0.00645   0.00384   1.94591
   A96        2.01538   0.00002  -0.00196   0.00479   0.00283   2.01822
   A97        2.38449   0.00003  -0.00128   0.00316   0.00190   2.38638
   A98        2.33015   0.00002  -0.00023   0.00025   0.00002   2.33018
   A99        1.68050   0.00001  -0.00139   0.00334   0.00195   1.68244
   A100       1.58347   0.00000  -0.00090   0.00208   0.00118   1.58465
   A101       0.88995  -0.00001  -0.00010   0.00007  -0.00002   0.88993
   A102       1.06587   0.00000  -0.00057   0.00131   0.00074   1.06662
   A103       0.94085   0.00001  -0.00093   0.00229   0.00137   0.94222
   A104       1.10905   0.00002  -0.00153   0.00380   0.00228   1.11133
   A105       1.49163   0.00000  -0.00048   0.00107   0.00060   1.49223
   A106       2.45763  -0.00001  -0.00004   0.00050   0.00047   2.45811
   A107       2.33874  -0.00002  -0.00055   0.00152   0.00097   2.33971
   A108       1.90650  -0.00002  -0.00057   0.00150   0.00093   1.90743
   A109       1.73806  -0.00002  -0.00076   0.00175   0.00099   1.73905
   A110       2.46270  -0.00001  -0.00085   0.00199   0.00115   2.46385
   A111       2.30129   0.00000  -0.00053   0.00154   0.00101   2.30231
   A112       0.71368   0.00001  -0.00005   0.00028   0.00023   0.71391
   A113       1.00548   0.00001  -0.00005   0.00031   0.00026   1.00575
   A114       0.69641   0.00002  -0.00012   0.00040   0.00029   0.69670
   A115       0.98446   0.00001  -0.00015   0.00050   0.00037   0.98483
   A116       1.81248   0.00000  -0.00086   0.00191   0.00105   1.81353
   A117       1.43209   0.00000  -0.00084   0.00176   0.00091   1.43300
   A118       1.20207   0.00000  -0.00115   0.00263   0.00148   1.20354
   A119       0.92665   0.00000  -0.00094   0.00219   0.00124   0.92789
   A120       1.25254  -0.00002  -0.00037   0.00053   0.00015   1.25270
   A121       1.87954  -0.00001   0.00274  -0.00714  -0.00441   1.87513
   A122       1.92721  -0.00001   0.00259  -0.00690  -0.00431   1.92290
   A123       2.28926  -0.00001   0.00224  -0.00609  -0.00384   2.28542
   A124       2.21465  -0.00001   0.00144  -0.00409  -0.00264   2.21201
   A125       1.58735  -0.00002   0.00227  -0.00608  -0.00381   1.58353
   A126       1.46245  -0.00003   0.00143  -0.00446  -0.00303   1.45942
   A127       0.65656   0.00001   0.00001   0.00008   0.00008   0.65665
   A128       0.66071   0.00001   0.00001   0.00005   0.00007   0.66078
   A129       2.17507   0.00001  -0.00080   0.00176   0.00096   2.17603
   A130       1.80290   0.00001  -0.00076   0.00155   0.00079   1.80369
   A131       1.51048   0.00000  -0.00085   0.00184   0.00099   1.51146
   A132       1.21654   0.00000  -0.00068   0.00148   0.00080   1.21734
   A133       1.64640  -0.00001  -0.00048   0.00086   0.00038   1.64678
   A134       1.72860  -0.00001   0.00254  -0.00637  -0.00384   1.72476
   A135       1.92860   0.00000   0.00246  -0.00622  -0.00376   1.92484
   A136       2.35883   0.00000   0.00242  -0.00609  -0.00367   2.35517
   A137       2.44328   0.00001   0.00183  -0.00470  -0.00286   2.44042
   A138       1.70046  -0.00001   0.00205  -0.00527  -0.00321   1.69724
   A139       1.67302  -0.00002   0.00111  -0.00350  -0.00238   1.67063
   A140       0.70434   0.00002   0.00008  -0.00002   0.00006   0.70439
   A141       0.82983   0.00002   0.00026  -0.00045  -0.00020   0.82963
   A142       2.50607   0.00001  -0.00107   0.00263   0.00156   2.50763
   A143       2.12743   0.00001  -0.00110   0.00260   0.00150   2.12892
   A144       1.90941   0.00001  -0.00106   0.00251   0.00146   1.91087
   A145       1.62243   0.00001  -0.00080   0.00193   0.00114   1.62356
   A146       1.84496   0.00000  -0.00101   0.00238   0.00137   1.84633
   A147       1.30467  -0.00002   0.00242  -0.00617  -0.00375   1.30092
   A148       1.54646   0.00000   0.00217  -0.00550  -0.00332   1.54314
   A149       1.97711  -0.00001   0.00221  -0.00554  -0.00332   1.97379
   A150       2.15835   0.00000   0.00184  -0.00451  -0.00267   2.15568
   A151       1.41084  -0.00001   0.00159  -0.00400  -0.00241   1.40844
   A152       1.48244  -0.00002   0.00057  -0.00199  -0.00141   1.48103
   A153       0.76804   0.00002  -0.00001   0.00002   0.00000   0.76804
   A154       0.76628   0.00002   0.00020  -0.00056  -0.00037   0.76591
   A155       2.81632   0.00001  -0.00097   0.00241   0.00144   2.81777
   A156       2.43509   0.00001  -0.00098   0.00233   0.00135   2.43644
   A157       2.16533   0.00001  -0.00077   0.00170   0.00093   2.16626
   A158       1.87035   0.00001  -0.00061   0.00136   0.00076   1.87111
   A159       2.15460   0.00000  -0.00099   0.00253   0.00154   2.15614
   A160       1.17250  -0.00002   0.00203  -0.00481  -0.00277   1.16973
   A161       1.49981   0.00000   0.00180  -0.00408  -0.00228   1.49753
   A162       1.89589  -0.00001   0.00193  -0.00442  -0.00248   1.89341
   A163       2.15708   0.00000   0.00175  -0.00383  -0.00207   2.15501
   A164       1.48808  -0.00001   0.00120  -0.00256  -0.00135   1.48673
   A165       1.63588  -0.00001   0.00032  -0.00088  -0.00055   1.63533
   A166       2.16061   0.00000  -0.00034   0.00049   0.00015   2.16076
   A167       1.86214   0.00000  -0.00025   0.00016  -0.00008   1.86205
   A168       1.47590  -0.00001  -0.00020   0.00013  -0.00006   1.47584
   A169       1.19653   0.00000  -0.00016   0.00014  -0.00002   1.19652
   A170       1.86810  -0.00001  -0.00002  -0.00036  -0.00038   1.86772
   A171       1.94051   0.00000   0.00200  -0.00475  -0.00275   1.93776
   A172       2.24397   0.00001   0.00210  -0.00507  -0.00296   2.24100
   A173       2.66182   0.00001   0.00202  -0.00474  -0.00271   2.65911
   A174       2.09135   0.00000   0.00190  -0.00476  -0.00285   2.08850
   A175       2.08159  -0.00001   0.00108  -0.00337  -0.00229   2.07930
   A176       2.26896  -0.00001  -0.00020   0.00010  -0.00009   2.26887
   A177       2.04963  -0.00001  -0.00013  -0.00015  -0.00027   2.04936
   A178       1.63803  -0.00001   0.00000  -0.00034  -0.00034   1.63769
   A179       1.38813   0.00000  -0.00008  -0.00006  -0.00013   1.38800
   A180       2.13451  -0.00002   0.00002  -0.00045  -0.00043   2.13408
   A181       1.87782   0.00001   0.00160  -0.00357  -0.00197   1.87586
   A182       2.25041   0.00002   0.00167  -0.00373  -0.00205   2.24836
   A183       2.57558   0.00002   0.00123  -0.00252  -0.00128   2.57430
   A184       2.23353   0.00001   0.00168  -0.00399  -0.00230   2.23123
   A185       2.30072  -0.00001   0.00096  -0.00292  -0.00195   2.29877
   A186       0.69234   0.00000  -0.00009   0.00022   0.00014   0.69248
   A187       0.98397   0.00000  -0.00016   0.00034   0.00018   0.98415
   A188       0.69865   0.00001   0.00007  -0.00008  -0.00001   0.69864
   A189       2.13635   0.00000  -0.00140   0.00344   0.00204   2.13839
   A190       1.75384  -0.00001  -0.00133   0.00318   0.00185   1.75569
   A191       1.42480  -0.00001  -0.00131   0.00315   0.00183   1.42664
   A192       1.11965  -0.00001  -0.00133   0.00310   0.00177   1.12142
   A193       1.63753   0.00000  -0.00111   0.00266   0.00154   1.63907
   A194       1.42070   0.00000  -0.00059   0.00180   0.00119   1.42190
   A195       0.66798   0.00000  -0.00008  -0.00001  -0.00009   0.66790
   A196       2.27044   0.00000  -0.00093   0.00212   0.00118   2.27162
   A197       1.87097  -0.00001  -0.00089   0.00199   0.00109   1.87206
   A198       1.65463  -0.00001  -0.00096   0.00225   0.00128   1.65591
   A199       1.33424   0.00000  -0.00097   0.00223   0.00125   1.33549
   A200       1.61920   0.00000  -0.00070   0.00152   0.00082   1.62001
   A201       1.34975   0.00000  -0.00041   0.00106   0.00065   1.35040
   A202       0.71192  -0.00001  -0.00008   0.00007  -0.00001   0.71191
   A203       2.64817   0.00000  -0.00070   0.00126   0.00057   2.64874
   A204       2.26520  -0.00001  -0.00084   0.00166   0.00082   2.26602
   A205       2.06860   0.00000  -0.00116   0.00262   0.00146   2.07006
   A206       1.74836   0.00000  -0.00116   0.00258   0.00142   1.74977
   A207       1.95399  -0.00001  -0.00052   0.00088   0.00036   1.95435
   A208       1.67050  -0.00001  -0.00039   0.00072   0.00032   1.67082
   A209       0.83305  -0.00002   0.00019  -0.00069  -0.00051   0.83255
   A210       2.65678  -0.00001   0.00078  -0.00257  -0.00179   2.65499
   A211       2.37582  -0.00002   0.00011  -0.00092  -0.00080   2.37502
   A212       2.30313  -0.00001  -0.00071   0.00131   0.00061   2.30374
   A213       1.98721  -0.00001  -0.00079   0.00153   0.00074   1.98794
   A214       1.99598  -0.00002   0.00035  -0.00138  -0.00104   1.99495
   A215       1.72003  -0.00002   0.00022  -0.00105  -0.00084   1.71920
   A216       1.93645   0.00001  -0.00056   0.00109   0.00052   1.93697
   A217       1.56667   0.00000  -0.00051   0.00095   0.00044   1.56711
   A218       1.49346   0.00001  -0.00043   0.00085   0.00042   1.49388
   A219       1.20015   0.00001  -0.00040   0.00082   0.00041   1.20056
   A220       1.24370   0.00000  -0.00050   0.00100   0.00049   1.24418
   A221       0.96179   0.00000  -0.00036   0.00082   0.00045   0.96225
   A222       0.72598   0.00001  -0.00007   0.00028   0.00021   0.72620
   A223       1.01775   0.00001  -0.00007   0.00035   0.00028   1.01802
   A224       0.69805   0.00001  -0.00004   0.00002  -0.00002   0.69803
   A225       0.98210   0.00001  -0.00011   0.00009  -0.00002   0.98208
   A226       0.65791   0.00000  -0.00001   0.00016   0.00015   0.65806
   A227       0.66141   0.00001   0.00012  -0.00034  -0.00022   0.66119
   A228       0.70376   0.00001   0.00007  -0.00020  -0.00013   0.70363
   A229       0.84675   0.00002   0.00041  -0.00072  -0.00031   0.84644
   A230       0.75697   0.00002   0.00006  -0.00003   0.00003   0.75700
   A231       0.77585   0.00003   0.00052  -0.00073  -0.00021   0.77564
   A232       1.59018   0.00000  -0.00017   0.00107   0.00090   1.59108
   A233       1.85950   0.00003   0.00072  -0.00230  -0.00158   1.85792
   A234       2.19027   0.00000  -0.00002   0.00011   0.00009   2.19036
   A235       2.12946  -0.00001  -0.00004   0.00003  -0.00001   2.12945
   A236       1.96308   0.00001   0.00006  -0.00015  -0.00009   1.96299
   A237       2.12343   0.00001   0.00008  -0.00039  -0.00030   2.12313
   A238       2.12615   0.00003   0.00004  -0.00018  -0.00013   2.12602
   A239       2.03259  -0.00003  -0.00008   0.00043   0.00034   2.03293
   A240       1.82579   0.00001   0.00055  -0.00048   0.00007   1.82586
   A241       2.54847  -0.00002  -0.00058   0.00046  -0.00012   2.54835
   A242       1.91407  -0.00001  -0.00003  -0.00002  -0.00005   1.91402
   A243       1.91640   0.00001  -0.00001   0.00021   0.00022   1.91662
   A244       1.91700   0.00000  -0.00007   0.00006   0.00000   1.91700
   A245       1.91022  -0.00001   0.00001  -0.00020  -0.00019   1.91003
   A246       1.90799   0.00001   0.00006  -0.00009  -0.00003   1.90796
   A247       1.89803   0.00000   0.00004   0.00003   0.00006   1.89809
   A248       1.28669   0.00001  -0.00032   0.00080   0.00048   1.28717
   A249       1.90520  -0.00002  -0.00015   0.00034   0.00019   1.90540
   A250       1.90943  -0.00002  -0.00001  -0.00010  -0.00011   1.90932
   A251       1.92802  -0.00001  -0.00002   0.00013   0.00011   1.92813
   A252       1.91029   0.00004   0.00013  -0.00034  -0.00021   1.91008
   A253       1.89760   0.00001   0.00007  -0.00010  -0.00004   1.89756
   A254       1.91316   0.00000  -0.00001   0.00007   0.00005   1.91321
   A255       1.72246   0.00001   0.00026  -0.00066  -0.00039   1.72207
   A256       1.76220   0.00000   0.00036  -0.00090  -0.00055   1.76165
   A257       2.19162   0.00001   0.00001  -0.00009  -0.00008   2.19154
   A258       2.12954   0.00000  -0.00001   0.00014   0.00013   2.12966
   A259       1.96180  -0.00001   0.00001  -0.00005  -0.00005   1.96175
   A260       2.12621  -0.00002  -0.00011   0.00014   0.00002   2.12624
   A261       2.12362  -0.00001  -0.00015   0.00041   0.00028   2.12390
   A262       2.03296   0.00003   0.00028  -0.00061  -0.00035   2.03261
   A263       1.36817  -0.00004  -0.00102   0.00135   0.00032   1.36849
   A264       1.90096   0.00000   0.00004  -0.00014  -0.00010   1.90086
   A265       1.93026   0.00000   0.00009  -0.00020  -0.00011   1.93016
   A266       1.91003  -0.00001  -0.00006   0.00005  -0.00001   1.91002
   A267       1.89618   0.00000   0.00008  -0.00015  -0.00007   1.89611
   A268       1.91514  -0.00002  -0.00019   0.00043   0.00024   1.91538
   A269       1.91116   0.00003   0.00004   0.00001   0.00005   1.91121
   A270       2.67618   0.00002  -0.00040   0.00108   0.00069   2.67688
   A271       1.68640  -0.00002   0.00047  -0.00117  -0.00071   1.68570
   A272       1.92537   0.00000  -0.00006   0.00002  -0.00003   1.92534
   A273       1.91190  -0.00001   0.00011  -0.00020  -0.00008   1.91182
   A274       1.91483   0.00001  -0.00016   0.00037   0.00021   1.91504
   A275       1.89297   0.00002   0.00020  -0.00039  -0.00019   1.89278
   A276       1.91112  -0.00001  -0.00001   0.00000  -0.00001   1.91111
   A277       1.90742  -0.00002  -0.00007   0.00018   0.00011   1.90753
   A278       1.81880  -0.00003  -0.00079   0.00091   0.00012   1.81892
   A279       1.74462  -0.00001   0.00077  -0.00178  -0.00101   1.74361
   A280       2.18985   0.00000   0.00000   0.00003   0.00003   2.18988
   A281       2.13050   0.00002   0.00002  -0.00004  -0.00002   2.13047
   A282       1.96276  -0.00001  -0.00002   0.00000  -0.00002   1.96275
   A283       2.12237   0.00003   0.00007  -0.00004   0.00004   2.12241
   A284       2.11479   0.00003   0.00001   0.00005   0.00005   2.11485
   A285       2.04307  -0.00005  -0.00008   0.00009   0.00000   2.04307
   A286       2.71241  -0.00001  -0.00151   0.00382   0.00231   2.71472
   A287       1.64561   0.00002   0.00162  -0.00404  -0.00242   1.64320
   A288       1.92726   0.00001  -0.00014   0.00028   0.00016   1.92742
   A289       1.91506  -0.00001   0.00001  -0.00018  -0.00017   1.91488
   A290       1.91173  -0.00001   0.00007  -0.00016  -0.00010   1.91163
   A291       1.89112  -0.00001  -0.00003   0.00015   0.00012   1.89124
   A292       1.91268   0.00000  -0.00002   0.00006   0.00004   1.91271
   A293       1.90577   0.00003   0.00011  -0.00016  -0.00004   1.90573
   A294       1.35785  -0.00004  -0.00135   0.00241   0.00106   1.35891
   A295       1.15031   0.00004   0.00082  -0.00173  -0.00091   1.14940
   A296       1.93345   0.00000  -0.00002   0.00011   0.00008   1.93353
   A297       1.90759  -0.00004  -0.00004   0.00005   0.00001   1.90761
   A298       1.90175   0.00005  -0.00001  -0.00008  -0.00008   1.90167
   A299       1.90940   0.00002  -0.00004   0.00018   0.00014   1.90954
   A300       1.89814  -0.00001   0.00006  -0.00006   0.00000   1.89813
   A301       1.91341   0.00000   0.00005  -0.00020  -0.00016   1.91325
   A302       1.64487  -0.00002   0.00011  -0.00149  -0.00139   1.64349
   A303       1.80529   0.00001   0.00022   0.00057   0.00079   1.80609
   A304       2.18889  -0.00002   0.00002   0.00001   0.00003   2.18892
   A305       2.13017   0.00001   0.00002   0.00000   0.00002   2.13019
   A306       1.96376   0.00001  -0.00004  -0.00001  -0.00005   1.96371
   A307       2.12523   0.00000  -0.00004   0.00005   0.00002   2.12525
   A308       2.12490  -0.00003  -0.00014   0.00024   0.00010   2.12500
   A309       2.02951   0.00004   0.00017  -0.00031  -0.00013   2.02938
   A310       1.30196   0.00004  -0.00030   0.00086   0.00056   1.30252
   A311       3.04661   0.00004   0.00051  -0.00128  -0.00077   3.04584
   A312       1.91177   0.00003   0.00004  -0.00014  -0.00010   1.91167
   A313       1.93002   0.00000   0.00011  -0.00051  -0.00039   1.92962
   A314       1.90060   0.00001   0.00017  -0.00018  -0.00001   1.90059
   A315       1.91279  -0.00007  -0.00032   0.00064   0.00032   1.91311
   A316       1.91246   0.00000  -0.00010   0.00020   0.00011   1.91257
   A317       1.89604   0.00003   0.00010  -0.00001   0.00008   1.89611
   A318       1.77554  -0.00004   0.00106  -0.00119  -0.00012   1.77541
   A319       1.91642   0.00001  -0.00011   0.00025   0.00014   1.91657
   A320       1.91306  -0.00002   0.00014  -0.00034  -0.00021   1.91285
   A321       1.92098   0.00000  -0.00005   0.00016   0.00011   1.92109
   A322       1.90831  -0.00004  -0.00018   0.00041   0.00023   1.90854
   A323       1.90963   0.00003   0.00015  -0.00039  -0.00023   1.90939
   A324       1.89525   0.00002   0.00005  -0.00010  -0.00004   1.89520
   A325       2.93330  -0.00001   0.00032  -0.00088  -0.00055   2.93276
   A326       3.37158  -0.00001  -0.00077   0.00229   0.00153   3.37311
   A327       3.08851  -0.00001  -0.00061   0.00185   0.00124   3.08975
   A328       3.19985   0.00001  -0.00034   0.00087   0.00053   3.20038
   A329       3.27933   0.00000  -0.00099   0.00136   0.00037   3.27971
   A330       3.26726  -0.00002  -0.00139   0.00259   0.00120   3.26846
   A331       3.68516   0.00000   0.00122  -0.00157  -0.00036   3.68481
   A332       3.23644   0.00002  -0.00182   0.00531   0.00351   3.23994
   A333       2.95700   0.00001   0.00207  -0.00461  -0.00253   2.95447
   A334       2.89524   0.00002   0.00153  -0.00329  -0.00175   2.89349
   A335       3.22940  -0.00001  -0.00002  -0.00005  -0.00007   3.22933
   A336       3.07511   0.00000   0.00015  -0.00029  -0.00014   3.07497
   A337       3.10338   0.00002   0.00026  -0.00068  -0.00042   3.10296
   A338       3.04936   0.00000  -0.00049   0.00123   0.00073   3.05009
    D1        2.75832   0.00000  -0.00003   0.00014   0.00010   2.75842
    D2       -1.36114   0.00000   0.00003   0.00005   0.00007  -1.36106
    D3        2.77915   0.00001   0.00019   0.00004   0.00023   2.77938
    D4       -1.34031   0.00001   0.00025  -0.00004   0.00020  -1.34010
    D5        1.66144   0.00000   0.00008  -0.00041  -0.00033   1.66111
    D6       -2.45802   0.00000   0.00013  -0.00049  -0.00036  -2.45838
    D7        1.84138   0.00002   0.00024  -0.00088  -0.00064   1.84074
    D8       -2.27808   0.00001   0.00030  -0.00096  -0.00066  -2.27874
    D9        0.28514   0.00000   0.00327  -0.00841  -0.00510   0.28005
   D10        2.44887   0.00000   0.00333  -0.00849  -0.00512   2.44375
   D11        0.00979   0.00000   0.00223  -0.00574  -0.00351   0.00629
   D12        2.17352  -0.00001   0.00229  -0.00583  -0.00353   2.16999
   D13       -0.45729  -0.00001   0.00201  -0.00527  -0.00328  -0.46057
   D14        1.70644  -0.00001   0.00206  -0.00535  -0.00330   1.70314
   D15       -0.57116  -0.00001   0.00114  -0.00293  -0.00180  -0.57296
   D16        1.59257  -0.00001   0.00120  -0.00302  -0.00183   1.59074
   D17        0.20107   0.00001   0.00105  -0.00279  -0.00174   0.19933
   D18        2.36480   0.00001   0.00110  -0.00287  -0.00176   2.36304
   D19        0.13930   0.00001   0.00051  -0.00146  -0.00095   0.13835
   D20        2.30303   0.00001   0.00057  -0.00155  -0.00098   2.30206
   D21        2.39391   0.00000   0.00027  -0.00124  -0.00097   2.39294
   D22       -1.72555   0.00000   0.00032  -0.00132  -0.00100  -1.72655
   D23        2.15482   0.00000  -0.00022  -0.00021  -0.00043   2.15439
   D24       -1.96464   0.00000  -0.00016  -0.00029  -0.00045  -1.96509
   D25        1.70818   0.00000   0.00023  -0.00115  -0.00092   1.70726
   D26       -2.41127   0.00000   0.00029  -0.00123  -0.00095  -2.41222
   D27        1.40023   0.00001   0.00034  -0.00132  -0.00098   1.39925
   D28       -2.71923   0.00000   0.00040  -0.00140  -0.00101  -2.72023
   D29        2.37417  -0.00001  -0.00120   0.00199   0.00078   2.37496
   D30       -1.74528  -0.00001  -0.00115   0.00190   0.00076  -1.74452
   D31       -1.74226   0.00000  -0.00099   0.00201   0.00101  -1.74125
   D32        0.42147   0.00000  -0.00094   0.00192   0.00098   0.42245
   D33       -2.09226  -0.00001  -0.00098   0.00189   0.00090  -2.09136
   D34        0.07147  -0.00001  -0.00093   0.00180   0.00088   0.07234
   D35       -2.46802   0.00000  -0.00093   0.00172   0.00079  -2.46723
   D36       -0.30429   0.00000  -0.00087   0.00164   0.00077  -0.30353
   D37       -2.75593  -0.00001  -0.00103   0.00182   0.00079  -2.75514
   D38       -0.59220  -0.00001  -0.00097   0.00174   0.00077  -0.59144
   D39       -2.11705   0.00000  -0.00103   0.00198   0.00095  -2.11610
   D40        0.04668   0.00000  -0.00097   0.00189   0.00093   0.04760
   D41       -2.36066   0.00000  -0.00076   0.00177   0.00102  -2.35964
   D42       -0.19693   0.00000  -0.00070   0.00169   0.00099  -0.19594
   D43        1.26631   0.00000  -0.00038   0.00039   0.00001   1.26632
   D44       -1.93245   0.00000   0.00070  -0.00300  -0.00231  -1.93475
   D45        2.45933   0.00001  -0.00020  -0.00032  -0.00053   2.45880
   D46       -0.73942   0.00001   0.00087  -0.00371  -0.00284  -0.74226
   D47        2.94408   0.00001  -0.00006  -0.00080  -0.00087   2.94321
   D48       -0.25467   0.00001   0.00101  -0.00419  -0.00318  -0.25786
   D49        2.87862   0.00002  -0.00178   0.00400   0.00220   2.88081
   D50       -0.32014   0.00002  -0.00071   0.00061  -0.00012  -0.32026
   D51        2.02601  -0.00001   0.00203  -0.00616  -0.00406   2.02196
   D52       -1.17274  -0.00001   0.00310  -0.00955  -0.00637  -1.17911
   D53        1.12103  -0.00002   0.00355  -0.00996  -0.00645   1.11457
   D54       -2.07773  -0.00002   0.00463  -0.01335  -0.00877  -2.08649
   D55        1.00345  -0.00002   0.00110  -0.00342  -0.00234   1.00111
   D56       -2.19531  -0.00001   0.00217  -0.00681  -0.00465  -2.19996
   D57        2.02113   0.00001  -0.00002  -0.00082  -0.00082   2.02031
   D58       -1.17762   0.00001   0.00106  -0.00421  -0.00314  -1.18076
   D59        1.82885   0.00001  -0.00033  -0.00002  -0.00035   1.82850
   D60       -1.36990   0.00001   0.00075  -0.00342  -0.00266  -1.37256
   D61       -2.28068   0.00000  -0.00009  -0.00104  -0.00112  -2.28180
   D62        0.80376   0.00000   0.00099  -0.00443  -0.00344   0.80032
   D63       -2.40863   0.00000  -0.00074   0.00058  -0.00016  -2.40879
   D64        0.67581   0.00000   0.00034  -0.00282  -0.00247   0.67333
   D65       -2.81126   0.00000  -0.00075   0.00075   0.00000  -2.81126
   D66        0.27317   0.00000   0.00033  -0.00264  -0.00231   0.27086
   D67       -2.98277   0.00001  -0.00129   0.00220   0.00091  -2.98186
   D68        0.10166   0.00001  -0.00021  -0.00119  -0.00140   0.10026
   D69       -2.12704  -0.00001  -0.00120   0.00174   0.00055  -2.12649
   D70        0.95740  -0.00001  -0.00012  -0.00166  -0.00177   0.95563
   D71       -0.14494   0.00000  -0.00171   0.00280   0.00110  -0.14385
   D72        2.93949   0.00000  -0.00063  -0.00059  -0.00122   2.93827
   D73       -0.54375  -0.00001  -0.00167   0.00264   0.00097  -0.54278
   D74        2.54068  -0.00001  -0.00059  -0.00075  -0.00134   2.53934
   D75       -0.71214   0.00000  -0.00168   0.00269   0.00101  -0.71114
   D76        2.37229   0.00000  -0.00060  -0.00071  -0.00131   2.37098
   D77       -1.05036   0.00000  -0.00166   0.00263   0.00096  -1.04940
   D78        2.03408   0.00000  -0.00059  -0.00077  -0.00135   2.03272
   D79       -0.82831  -0.00001  -0.00165   0.00265   0.00100  -0.82730
   D80        2.25613  -0.00001  -0.00057  -0.00074  -0.00131   2.25481
   D81       -1.13218  -0.00001  -0.00155   0.00256   0.00101  -1.13117
   D82        1.95225  -0.00001  -0.00047  -0.00083  -0.00130   1.95095
   D83       -1.53205   0.00000  -0.00014   0.00047   0.00033  -1.53172
   D84       -2.60919   0.00001   0.00003   0.00002   0.00005  -2.60915
   D85       -2.94877   0.00002   0.00016   0.00016   0.00031  -2.94845
   D86        0.73172   0.00001   0.00019  -0.00036  -0.00015   0.73158
   D87        0.30436   0.00000   0.00060  -0.00143  -0.00082   0.30354
   D88       -0.08380  -0.00001   0.00189  -0.00478  -0.00288  -0.08667
   D89       -0.41673  -0.00001   0.00137  -0.00337  -0.00201  -0.41874
   D90        0.18545   0.00001  -0.00032   0.00089   0.00057   0.18602
   D91       -0.05017   0.00001  -0.00064   0.00165   0.00101  -0.04915
   D92        2.39696   0.00001   0.00014  -0.00055  -0.00041   2.39656
   D93        2.05284   0.00001  -0.00020   0.00019  -0.00001   2.05282
   D94        1.65566   0.00000   0.00005  -0.00035  -0.00030   1.65536
   D95        1.37139   0.00001  -0.00021   0.00040   0.00019   1.37158
   D96        2.06263  -0.00001  -0.00080   0.00165   0.00085   2.06348
   D97       -1.87974   0.00000  -0.00178   0.00401   0.00223  -1.87751
   D98       -2.41826  -0.00002  -0.00197   0.00413   0.00216  -2.41611
   D99       -2.63957   0.00000  -0.00147   0.00308   0.00160  -2.63796
   D100      -2.96987   0.00000  -0.00139   0.00289   0.00149  -2.96838
   D101      -2.88493  -0.00002  -0.00264   0.00542   0.00278  -2.88215
   D102       2.86033  -0.00003  -0.00240   0.00470   0.00229   2.86261
   D103      -2.86595   0.00000  -0.00357   0.00907   0.00546  -2.86048
   D104       1.23278   0.00000  -0.00377   0.00945   0.00564   1.23842
   D105       2.83290   0.00001  -0.00225   0.00580   0.00352   2.83642
   D106       0.64844   0.00001  -0.00244   0.00617   0.00369   0.65214
   D107       2.31122  -0.00002   0.00009  -0.00047  -0.00034   2.31088
   D108       0.12676  -0.00002  -0.00010  -0.00009  -0.00016   0.12660
   D109       1.72740  -0.00001   0.00236  -0.00665  -0.00422   1.72318
   D110      -0.45706  -0.00002   0.00216  -0.00627  -0.00405  -0.46111
   D111       2.60397  -0.00001  -0.00141   0.00369   0.00227   2.60624
   D112       0.41951  -0.00001  -0.00161   0.00406   0.00245   0.42196
   D113       2.26345  -0.00001  -0.00109   0.00288   0.00180   2.26526
   D114       0.07899  -0.00001  -0.00128   0.00326   0.00198   0.08097
   D115      -1.61306   0.00000   0.00022  -0.00032  -0.00012  -1.61318
   D116       2.48567   0.00000   0.00002   0.00005   0.00006   2.48573
   D117      -1.77005   0.00000  -0.00002  -0.00006  -0.00009  -1.77013
   D118       2.32868   0.00000  -0.00021   0.00031   0.00009   2.32877
   D119      -2.73528  -0.00001  -0.00005   0.00020   0.00016  -2.73512
   D120       1.36344  -0.00002  -0.00024   0.00058   0.00034   1.36378
   D121      -2.69366  -0.00001  -0.00032   0.00088   0.00057  -2.69309
   D122       1.40507  -0.00002  -0.00052   0.00126   0.00075   1.40582
   D123       1.33581   0.00000  -0.00068   0.00212   0.00145   1.33725
   D124      -0.84865   0.00000  -0.00088   0.00250   0.00163  -0.84703
   D125       1.30953   0.00001  -0.00110   0.00323   0.00213   1.31167
   D126      -0.87493   0.00001  -0.00130   0.00360   0.00231  -0.87261
   D127       1.66848   0.00001  -0.00140   0.00391   0.00252   1.67100
   D128      -0.51598   0.00001  -0.00159   0.00428   0.00270  -0.51328
   D129       1.79062   0.00000  -0.00116   0.00331   0.00216   1.79279
   D130      -0.39384   0.00000  -0.00135   0.00369   0.00234  -0.39150
   D131       0.91203   0.00001  -0.00147   0.00413   0.00267   0.91470
   D132      -1.27243   0.00001  -0.00166   0.00450   0.00285  -1.26958
   D133      -0.95307   0.00001  -0.00010   0.00106   0.00098  -0.95209
   D134      -3.13753   0.00001  -0.00029   0.00144   0.00116  -3.13637
   D135      -0.53113   0.00002   0.00028   0.00020   0.00048  -0.53065
   D136      -2.71559   0.00002   0.00008   0.00058   0.00066  -2.71493
   D137      -0.25150   0.00001   0.00132  -0.00223  -0.00094  -0.25244
   D138      -2.43596   0.00001   0.00113  -0.00186  -0.00076  -2.43672
   D139       0.15097   0.00001   0.00170  -0.00327  -0.00160   0.14936
   D140      -2.03349   0.00001   0.00150  -0.00290  -0.00142  -2.03492
   D141      -0.30782   0.00001  -0.00005   0.00083   0.00077  -0.30705
   D142      -2.49228   0.00001  -0.00024   0.00120   0.00095  -2.49133
   D143      -0.05225   0.00001  -0.00057   0.00176   0.00119  -0.05106
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   D145      -2.44680   0.00000  -0.00305   0.00786   0.00482  -2.44198
   D146      -2.68660   0.00001  -0.00392   0.01016   0.00625  -2.68035
   D147      -2.34745   0.00002  -0.00573   0.01491   0.00922  -2.33823
   D148       3.03583   0.00000  -0.00346   0.00908   0.00561   3.04143
   D149       2.65204   0.00001  -0.00339   0.00894   0.00554   2.65757
   D150       1.50934  -0.00002   0.00041  -0.00067  -0.00028   1.50906
   D151       2.61249  -0.00001   0.00018  -0.00019   0.00000   2.61249
   D152       2.99090  -0.00002  -0.00008   0.00045   0.00039   2.99129
   D153       1.19068  -0.00002  -0.00069   0.00244   0.00176   1.19244
   D154       1.25312  -0.00001  -0.00092   0.00302   0.00210   1.25522
   D155       1.64772  -0.00001  -0.00129   0.00378   0.00249   1.65021
   D156       1.71831  -0.00001  -0.00083   0.00257   0.00174   1.72005
   D157       0.90227   0.00000  -0.00095   0.00311   0.00216   0.90443
   D158      -0.98195   0.00000  -0.00105   0.00370   0.00265  -0.97930
   D159      -0.65739   0.00001  -0.00104   0.00373   0.00268  -0.65471
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   D161      -0.40056  -0.00001   0.00000   0.00114   0.00112  -0.39945
   D162      -0.27499   0.00001  -0.00127   0.00421   0.00293  -0.27207
   D163       0.00211   0.00001  -0.00113   0.00386   0.00273   0.00484
   D164      -1.25518  -0.00001  -0.00299   0.00676   0.00376  -1.25142
   D165       1.68608   0.00000  -0.00227   0.00562   0.00335   1.68943
   D166      -1.62653   0.00000  -0.00291   0.00661   0.00369  -1.62285
   D167       1.31473   0.00001  -0.00219   0.00547   0.00328   1.31801
   D168      -1.70388  -0.00001  -0.00300   0.00691   0.00390  -1.69997
   D169       1.23739   0.00000  -0.00228   0.00578   0.00350   1.24088
   D170      -1.96922   0.00001  -0.00232   0.00566   0.00334  -1.96588
   D171       0.97204   0.00001  -0.00160   0.00453   0.00293   0.97497
   D172      -1.97744  -0.00001  -0.00284   0.00643   0.00360  -1.97385
   D173       0.96382   0.00000  -0.00211   0.00530   0.00319   0.96701
   D174      -2.28109   0.00000  -0.00273   0.00617   0.00344  -2.27765
   D175       0.66017   0.00001  -0.00200   0.00503   0.00304   0.66321
   D176       1.97874  -0.00002  -0.00032   0.00014  -0.00019   1.97855
   D177      -1.36318  -0.00001   0.00040  -0.00099  -0.00060  -1.36378
   D178       0.83318  -0.00001  -0.00026  -0.00006  -0.00033   0.83286
   D179      -2.50874   0.00000   0.00046  -0.00120  -0.00073  -2.50947
   D180       0.37178   0.00000  -0.00037   0.00000  -0.00038   0.37140
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   D182      -3.09277   0.00000  -0.00162   0.00357   0.00195  -3.09082
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   D185      -0.41561   0.00001  -0.00101   0.00273   0.00171  -0.41390
   D186       3.08211  -0.00001  -0.00202   0.00447   0.00245   3.08455
   D187      -0.25982   0.00000  -0.00129   0.00333   0.00204  -0.25778
   D188       2.98378  -0.00001  -0.00167   0.00356   0.00189   2.98567
   D189      -0.35814  -0.00001  -0.00094   0.00243   0.00148  -0.35666
   D190       2.48079   0.00000  -0.00180   0.00406   0.00226   2.48305
   D191      -0.86114   0.00001  -0.00107   0.00293   0.00186  -0.85928
   D192       0.36337   0.00000  -0.00230   0.00579   0.00350   0.36687
   D193      -2.97855   0.00000  -0.00158   0.00465   0.00309  -2.97546
   D194       0.66886   0.00001  -0.00216   0.00567   0.00352   0.67237
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   D197      -2.85855   0.00000  -0.00246   0.00737   0.00494  -2.85361
   D198       1.12330   0.00001  -0.00155   0.00399   0.00243   1.12573
   D199      -2.21863   0.00002  -0.00082   0.00286   0.00202  -2.21660
   D200       1.44999   0.00001  -0.00139   0.00337   0.00197   1.45197
   D201      -1.89193   0.00002  -0.00067   0.00223   0.00156  -1.89037
   D202       1.59984   0.00000   0.00122  -0.00316  -0.00194   1.59790
   D203      -0.61512   0.00000   0.00118  -0.00269  -0.00151  -0.61664
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   D207      -0.86981   0.00000   0.00143  -0.00374  -0.00232  -0.87213
   D208       1.18101   0.00000   0.00138  -0.00460  -0.00322   1.17779
   D209      -1.03395   0.00000   0.00134  -0.00413  -0.00279  -1.03675
   D210       2.09795   0.00000   0.00131  -0.00361  -0.00230   2.09565
   D211      -0.11702   0.00000   0.00127  -0.00313  -0.00187  -0.11889
   D212       2.21310  -0.00002   0.00125  -0.00353  -0.00228   2.21083
   D213      -0.00186  -0.00002   0.00121  -0.00306  -0.00185  -0.00371
   D214      -2.21425   0.00001  -0.00144   0.00330   0.00186  -2.21239
   D215       1.85397   0.00001  -0.00149   0.00377   0.00229   1.85626
   D216      -2.38574   0.00000  -0.00100   0.00203   0.00103  -2.38470
   D217       1.68249   0.00000  -0.00104   0.00250   0.00146   1.68395
   D218      -2.00142   0.00002  -0.00079   0.00143   0.00064  -2.00078
   D219       2.06680   0.00002  -0.00083   0.00190   0.00107   2.06787
   D220      -2.11969   0.00003  -0.00001  -0.00180  -0.00180  -2.12149
   D221       1.94853   0.00003  -0.00005  -0.00132  -0.00137   1.94716
   D222      -2.88112  -0.00001  -0.00078   0.00154   0.00076  -2.88036
   D223       1.18710  -0.00001  -0.00082   0.00201   0.00119   1.18829
   D224       3.06511  -0.00001  -0.00058   0.00106   0.00048   3.06558
   D225       0.85014  -0.00001  -0.00062   0.00153   0.00091   0.85105
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   D227       1.35649   0.00000  -0.00018   0.00055   0.00038   1.35687
   D228      -2.64973   0.00001  -0.00071   0.00150   0.00080  -2.64893
   D229       1.41849   0.00001  -0.00075   0.00198   0.00123   1.41972
   D230      -1.56169  -0.00002  -0.00027   0.00010  -0.00016  -1.56185
   D231       2.50653  -0.00002  -0.00031   0.00058   0.00027   2.50680
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   D251      -0.84535   0.00000   0.00172  -0.00462  -0.00292  -0.84827
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   D257       2.26661   0.00002  -0.00033   0.00095   0.00063   2.26724
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   D303       0.24267   0.00001   0.00068  -0.00151  -0.00084   0.24183
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   D318       0.08898   0.00001   0.00207  -0.00500  -0.00292   0.08606
   D319       2.15269   0.00001   0.00257  -0.00590  -0.00333   2.14936
   D320       0.22178   0.00001   0.00216  -0.00502  -0.00285   0.21892
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   D326       0.09174   0.00000  -0.00013   0.00070   0.00056   0.09230
   D327       2.26275   0.00001  -0.00002   0.00034   0.00031   2.26306
   D328       0.39303  -0.00001   0.00017   0.00006   0.00022   0.39325
   D329       2.56403   0.00000   0.00029  -0.00031  -0.00003   2.56401
   D330       0.76327  -0.00001  -0.00015   0.00088   0.00073   0.76399
   D331       2.93427   0.00000  -0.00004   0.00052   0.00048   2.93475
   D332       1.04346  -0.00001  -0.00019   0.00097   0.00079   1.04424
   D333      -3.06872   0.00000  -0.00007   0.00060   0.00053  -3.06819
   D334       0.32037   0.00000   0.00090  -0.00155  -0.00066   0.31971
   D335       2.49137   0.00001   0.00102  -0.00191  -0.00091   2.49046
   D336       0.70667   0.00001   0.00163  -0.00308  -0.00145   0.70522
   D337       2.87767   0.00001   0.00175  -0.00345  -0.00170   2.87597
   D338      -2.32430  -0.00002   0.00026  -0.00060  -0.00033  -2.32463
   D339      -0.15330  -0.00001   0.00037  -0.00096  -0.00058  -0.15388
   D340      -1.94935   0.00000   0.00033  -0.00060  -0.00026  -1.94961
   D341       0.22166   0.00000   0.00045  -0.00096  -0.00051   0.22114
   D342      -1.89526   0.00000  -0.00024   0.00114   0.00091  -1.89435
   D343       0.27574   0.00000  -0.00012   0.00077   0.00066   0.27640
   D344      -1.59287   0.00000  -0.00058   0.00234   0.00177  -1.59110
   D345       0.57813   0.00001  -0.00046   0.00198   0.00152   0.57965
   D346      -1.58654   0.00000   0.00086  -0.00201  -0.00114  -1.58768
   D347       0.58447   0.00000   0.00098  -0.00237  -0.00140   0.58307
   D348      -1.28653   0.00000   0.00091  -0.00200  -0.00109  -1.28762
   D349       0.88448   0.00000   0.00103  -0.00237  -0.00134   0.88313
   D350       1.86450  -0.00001  -0.00001   0.00077   0.00076   1.86526
   D351      -2.24768   0.00000   0.00010   0.00040   0.00051  -2.24717
   D352       2.30925  -0.00001  -0.00059   0.00240   0.00180   2.31106
   D353      -1.80293   0.00000  -0.00047   0.00203   0.00155  -1.80137
   D354       2.59525   0.00001  -0.00232   0.00702   0.00467   2.59993
   D355      -1.51693   0.00001  -0.00221   0.00666   0.00442  -1.51250
   D356      -3.05156   0.00000  -0.00275   0.00706   0.00434  -3.04722
   D357      -0.88056   0.00000  -0.00264   0.00669   0.00409  -0.87646
   D358       2.61973   0.00001  -0.00005   0.00084   0.00078   2.62051
   D359      -1.49245   0.00001   0.00006   0.00047   0.00053  -1.49192
   D360       1.63839   0.00000  -0.00004   0.00061   0.00056   1.63895
   D361      -2.47379   0.00000   0.00007   0.00024   0.00031  -2.47348
   D362       1.81340  -0.00001  -0.00001   0.00044   0.00044   1.81384
   D363      -2.29878  -0.00001   0.00011   0.00007   0.00018  -2.29859
   D364       2.74901   0.00000   0.00015   0.00004   0.00019   2.74920
   D365      -1.36317   0.00001   0.00027  -0.00032  -0.00006  -1.36323
   D366       2.74504   0.00001   0.00069  -0.00061   0.00008   2.74512
   D367      -1.36714   0.00002   0.00080  -0.00098  -0.00018  -1.36732
   D368       0.05899   0.00000   0.00041  -0.00036   0.00003   0.05902
   D369      -2.40016   0.00000   0.00427  -0.00895  -0.00470  -2.40485
   D370       0.45888  -0.00001   0.00033  -0.00021   0.00011   0.45900
   D371      -2.00026  -0.00001   0.00419  -0.00880  -0.00461  -2.00488
   D372       0.67593  -0.00001  -0.00017   0.00079   0.00062   0.67655
   D373      -1.78322   0.00000   0.00370  -0.00780  -0.00411  -1.78733
   D374       0.94908  -0.00001  -0.00048   0.00124   0.00076   0.94984
   D375      -1.51007  -0.00001   0.00339  -0.00735  -0.00396  -1.51403
   D376       0.69631   0.00000   0.00083  -0.00124  -0.00042   0.69590
   D377      -1.76283   0.00001   0.00469  -0.00983  -0.00514  -1.76797
   D378       1.03843   0.00000   0.00074  -0.00106  -0.00032   1.03812
   D379      -1.42072   0.00000   0.00460  -0.00965  -0.00504  -1.42576
   D380      -2.72040  -0.00001  -0.00221   0.00537   0.00320  -2.71719
   D381       1.10364  -0.00001   0.00166  -0.00322  -0.00152   1.10212
   D382      -2.18491   0.00000  -0.00113   0.00259   0.00149  -2.18341
   D383       1.63913   0.00000   0.00274  -0.00600  -0.00323   1.63590
   D384      -1.94905   0.00000  -0.00108   0.00297   0.00191  -1.94714
   D385       1.87499   0.00000   0.00279  -0.00562  -0.00281   1.87217
   D386      -1.62331   0.00000  -0.00081   0.00262   0.00182  -1.62150
   D387       2.20073   0.00000   0.00305  -0.00597  -0.00291   2.19782
   D388      -1.70505   0.00000   0.00120  -0.00347  -0.00230  -1.70734
   D389       2.11899   0.00000   0.00507  -0.01206  -0.00702   2.11197
   D390      -1.14399   0.00001   0.00227  -0.00545  -0.00321  -1.14719
   D391       2.68005   0.00001   0.00614  -0.01404  -0.00793   2.67212
   D392       1.79800  -0.00001   0.00008   0.00025   0.00033   1.79833
   D393      -0.66115   0.00000   0.00395  -0.00834  -0.00439  -0.66554
   D394       2.10306  -0.00001  -0.00015   0.00099   0.00084   2.10390
   D395      -0.35608  -0.00001   0.00371  -0.00760  -0.00389  -0.35997
   D396       2.06179   0.00000  -0.00063   0.00239   0.00176   2.06355
   D397      -0.39736   0.00000   0.00323  -0.00620  -0.00297  -0.40032
   D398       2.28263   0.00000  -0.00181   0.00539   0.00357   2.28620
   D399      -0.17652   0.00001   0.00205  -0.00320  -0.00116  -0.17767
   D400       2.49795   0.00000   0.00014   0.00022   0.00036   2.49832
   D401       0.03880   0.00000   0.00401  -0.00837  -0.00436   0.03444
   D402      -1.53610  -0.00001  -0.00015   0.00063   0.00047  -1.53563
   D403       2.28793   0.00000   0.00371  -0.00796  -0.00426   2.28368
   D404      -2.63330  -0.00001  -0.00009   0.00067   0.00057  -2.63273
   D405       1.19074   0.00000   0.00377  -0.00792  -0.00415   1.18658
   D406      -2.98618   0.00000   0.00040  -0.00005   0.00035  -2.98584
   D407       0.83785   0.00000   0.00426  -0.00864  -0.00438   0.83348
   D408       1.91802   0.00000  -0.00053   0.00063   0.00009   1.91810
   D409       2.41335  -0.00001  -0.00022   0.00009  -0.00014   2.41321
   D410       2.64886   0.00000  -0.00080   0.00128   0.00048   2.64934
   D411       2.88465  -0.00001  -0.00117   0.00179   0.00061   2.88526
   D412       2.83604   0.00002   0.00096  -0.00224  -0.00128   2.83476
   D413      -2.94124   0.00000  -0.00009   0.00005  -0.00004  -2.94127
   D414      -0.72899  -0.00001  -0.00219   0.00440   0.00222  -0.72677
   D415      -0.35002   0.00000  -0.00214   0.00427   0.00213  -0.34789
   D416      -0.03469   0.00001  -0.00250   0.00547   0.00297  -0.03172
   D417       0.27260   0.00001  -0.00238   0.00519   0.00280   0.27541
   D418      -0.22344  -0.00001  -0.00165   0.00275   0.00112  -0.22232
   D419       0.08161  -0.00002  -0.00118   0.00154   0.00037   0.08197
   D420      -2.54319  -0.00001  -0.00143   0.00284   0.00140  -2.54179
   D421      -2.16170  -0.00001  -0.00142   0.00290   0.00148  -2.16022
   D422      -1.90783   0.00000  -0.00197   0.00428   0.00231  -1.90552
   D423      -1.58982   0.00000  -0.00228   0.00490   0.00263  -1.58719
   D424      -1.95702   0.00000  -0.00087   0.00147   0.00060  -1.95642
   D425       1.31205   0.00000  -0.00062   0.00059  -0.00003   1.31202
   D426       2.47814   0.00000  -0.00076   0.00121   0.00045   2.47860
   D427       2.95452  -0.00001  -0.00078   0.00127   0.00049   2.95501
   D428      -3.06700  -0.00001  -0.00073   0.00157   0.00084  -3.06616
   D429       0.02447   0.00001   0.00066  -0.00179  -0.00113   0.02334
   D430       0.04525   0.00002  -0.00063   0.00126   0.00063   0.04588
   D431       3.13672   0.00004   0.00075  -0.00209  -0.00134   3.13538
   D432      -0.08628   0.00001   0.00062  -0.00273  -0.00211  -0.08839
   D433       2.01330   0.00000   0.00061  -0.00285  -0.00225   2.01105
   D434      -2.18349   0.00000   0.00061  -0.00265  -0.00204  -2.18553
   D435       3.10288  -0.00001  -0.00070   0.00047  -0.00023   3.10265
   D436      -1.08072  -0.00002  -0.00071   0.00035  -0.00036  -1.08109
   D437       1.00567  -0.00002  -0.00071   0.00056  -0.00016   1.00551
   D438      -2.36353  -0.00002  -0.00082   0.00162   0.00079  -2.36273
   D439      -0.27358   0.00000  -0.00077   0.00135   0.00058  -0.27299
   D440       1.83399  -0.00001  -0.00080   0.00145   0.00065   1.83464
   D441       0.73041   0.00000   0.00050  -0.00159  -0.00110   0.72932
   D442       2.82036   0.00002   0.00056  -0.00186  -0.00131   2.81906
   D443      -1.35525   0.00001   0.00052  -0.00176  -0.00124  -1.35650
   D444      -0.00031   0.00001  -0.00018   0.00104   0.00085   0.00054
   D445       3.11017   0.00000   0.00063  -0.00148  -0.00085   3.10932
   D446      -3.11954   0.00001  -0.00027   0.00134   0.00107  -3.11848
   D447      -0.00906   0.00000   0.00054  -0.00117  -0.00064  -0.00970
   D448       2.40767   0.00000   0.00145  -0.00286  -0.00141   2.40626
   D449      -1.79288   0.00000   0.00163  -0.00325  -0.00162  -1.79450
   D450       0.31402   0.00003   0.00169  -0.00333  -0.00164   0.31238
   D451      -0.70435   0.00001   0.00068  -0.00048   0.00020  -0.70415
   D452       1.37829   0.00001   0.00086  -0.00088  -0.00001   1.37828
   D453      -2.79799   0.00004   0.00092  -0.00095  -0.00003  -2.79802
   D454       2.05610  -0.00002  -0.00054   0.00107   0.00053   2.05663
   D455      -2.14455   0.00001  -0.00027   0.00049   0.00022  -2.14433
   D456      -0.05074  -0.00002  -0.00039   0.00082   0.00043  -0.05030
   D457      -1.11503  -0.00003   0.00022  -0.00130  -0.00108  -1.11611
   D458       0.96751  -0.00001   0.00049  -0.00189  -0.00139   0.96611
   D459       3.06132  -0.00003   0.00037  -0.00155  -0.00118   3.06014
   D460      -3.08039  -0.00003  -0.00012  -0.00061  -0.00073  -3.08112
   D461      -0.02368  -0.00002  -0.00022   0.00074   0.00052  -0.02316
   D462       0.07421   0.00001  -0.00018  -0.00018  -0.00036   0.07385
   D463       3.13091   0.00001  -0.00028   0.00117   0.00090   3.13181
   D464       1.91996   0.00002   0.00128  -0.00245  -0.00117   1.91878
   D465      -2.27983   0.00001   0.00116  -0.00220  -0.00104  -2.28087
   D466      -0.18801   0.00003   0.00135  -0.00260  -0.00126  -0.18927
   D467      -1.14008   0.00001   0.00137  -0.00375  -0.00238  -1.14246
   D468       0.94332  -0.00001   0.00125  -0.00350  -0.00224   0.94107
   D469       3.03514   0.00002   0.00143  -0.00390  -0.00247   3.03268
   D470      -1.63708   0.00001   0.00094  -0.00287  -0.00192  -1.63900
   D471       0.46807   0.00000   0.00085  -0.00254  -0.00169   0.46638
   D472       2.55863   0.00000   0.00089  -0.00280  -0.00192   2.55671
   D473       1.42333   0.00002   0.00086  -0.00158  -0.00072   1.42261
   D474      -2.75471   0.00001   0.00077  -0.00125  -0.00048  -2.75519
   D475      -0.66415   0.00001   0.00080  -0.00152  -0.00071  -0.66486
   D476       0.00248   0.00003   0.00015   0.00031   0.00046   0.00294
   D477      -3.04539   0.00003   0.00016   0.00058   0.00074  -3.04465
   D478       3.11533   0.00001   0.00022   0.00019   0.00040   3.11574
   D479       0.06746   0.00001   0.00023   0.00046   0.00068   0.06814
   D480      -0.30373   0.00003  -0.00063   0.00261   0.00198  -0.30175
   D481       1.80616  -0.00003  -0.00093   0.00299   0.00206   1.80823
   D482      -2.39493   0.00001  -0.00064   0.00256   0.00191  -2.39302
   D483       2.74900   0.00003  -0.00066   0.00238   0.00172   2.75072
   D484      -1.42430  -0.00004  -0.00096   0.00276   0.00181  -1.42249
   D485       0.65779   0.00000  -0.00066   0.00233   0.00166   0.65945
   D486      -0.08233   0.00004  -0.00113   0.00110  -0.00003  -0.08236
   D487       2.01429  -0.00002  -0.00134   0.00155   0.00021   2.01450
   D488      -2.18554  -0.00001  -0.00122   0.00131   0.00009  -2.18544
   D489      -3.13507   0.00004  -0.00112   0.00134   0.00022  -3.13484
   D490      -1.03845  -0.00002  -0.00132   0.00179   0.00047  -1.03798
   D491       1.04491  -0.00001  -0.00120   0.00156   0.00035   1.04526
         Item               Value     Threshold  Converged?
 Maximum Force            0.000069     0.000450     YES
 RMS     Force            0.000014     0.000300     YES
 Maximum Displacement     0.016341     0.001800     NO 
 RMS     Displacement     0.002232     0.001200     NO 
 Predicted change in Energy=-9.159487D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:47:45 2016, MaxMem=  2952790016 cpu:         8.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.801209   -0.589515    1.661146
      2          6           0       -2.071527    1.129107   -1.357682
      3          8           0       -2.618717    0.150451   -1.894946
      4          7           0       -0.776039    1.181531   -0.943617
      5          1           0       -2.624640    2.064192   -1.138094
      6          6           0       -0.242766    2.345950   -0.235843
      7          1           0       -1.004950    3.136603   -0.197821
      8          1           0        0.041974    2.061399    0.790113
      9          1           0        0.650165    2.725114   -0.759150
     10          6           0        0.138977    0.052192   -1.125324
     11          1           0        0.709735   -0.103966   -0.196373
     12          1           0       -0.439331   -0.852282   -1.355282
     13          1           0        0.846828    0.257443   -1.945323
     14          6           0       -2.038635   -3.976775    2.661726
     15          8           0       -2.175253   -3.801692    3.884730
     16          7           0       -2.963521   -3.673860    1.710588
     17          1           0       -1.106372   -4.389994    2.227808
     18          6           0       -4.261226   -3.087707    2.054050
     19          1           0       -4.497741   -2.293652    1.328000
     20          1           0       -5.055345   -3.851860    2.011839
     21          1           0       -4.214244   -2.663605    3.065003
     22          6           0       -2.697414   -3.879448    0.286719
     23          1           0       -3.405910   -4.612343   -0.133119
     24          1           0       -2.821052   -2.925829   -0.253029
     25          1           0       -1.669454   -4.243269    0.150285
     26          6           0        1.592446    0.363541    2.592492
     27          8           0        1.443700    1.385826    3.282928
     28          7           0        1.199395   -0.891285    2.944253
     29          1           0        2.063587    0.394081    1.590252
     30          6           0        1.483857   -2.050002    2.096621
     31          1           0        2.239570   -2.698159    2.571392
     32          1           0        0.563840   -2.638772    1.950862
     33          1           0        1.852778   -1.708603    1.119557
     34          6           0        0.564223   -1.152122    4.238400
     35          1           0        1.313425   -1.462077    4.986878
     36          1           0        0.058294   -0.241633    4.584192
     37          1           0       -0.171419   -1.960540    4.118783
     38          6           0       -4.606343    1.056753    2.884580
     39          8           0       -4.850458    1.630542    1.809200
     40          7           0       -3.545988    1.320106    3.696086
     41          1           0       -5.241489    0.233818    3.269704
     42          6           0       -2.556722    2.349118    3.363599
     43          1           0       -2.634097    2.601953    2.298208
     44          1           0       -2.720206    3.254123    3.971516
     45          1           0       -1.550172    1.958431    3.577902
     46          6           0       -3.268366    0.515225    4.885669
     47          1           0       -4.069048   -0.222747    5.031080
     48          1           0       -2.305838   -0.009417    4.761144
     49          1           0       -3.202535    1.163786    5.774197
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484258   0.000000
     3  O    3.723125   1.243317   0.000000
     4  N    3.312456   1.361061   2.315948   0.000000
     5  H    3.944102   1.108394   2.057976   2.057726   0.000000
     6  C    3.826782   2.466495   3.635654   1.463283   2.562570
     7  H    4.239545   2.552039   3.794941   2.104975   2.158140
     8  H    3.344154   3.154216   4.235627   2.109297   3.290717
     9  H    4.780568   3.211400   4.313295   2.109677   3.362255
    10  C    3.455506   2.469831   2.864760   1.464813   3.418462
    11  H    3.160850   3.256459   3.745460   2.101999   4.087273
    12  H    3.320029   2.567094   2.458950   2.102197   3.650831
    13  H    4.553686   3.101922   3.467562   2.119210   3.995879
    14  C    3.539924   6.498212   6.175253   6.418782   7.160678
    15  O    3.924579   7.197668   7.015750   7.078364   7.735587
    16  N    3.296452   5.768745   5.267269   5.950184   6.415222
    17  H    3.904810   6.651897   6.316639   6.419419   7.435788
    18  C    3.528033   5.849463   5.364519   6.273668   6.277759
    19  H    3.207235   4.981434   4.460017   5.575679   5.346114
    20  H    4.621178   6.713186   6.100706   7.237554   7.129521
    21  H    3.477845   6.207741   5.921631   6.532638   6.522648
    22  C    3.676397   5.308617   4.583224   5.551479   6.112467
    23  H    4.688027   6.020330   5.138863   6.414210   6.796799
    24  H    3.187868   4.269022   3.492897   4.639977   5.071709
    25  H    3.956005   5.594466   4.938506   5.605645   6.508177
    26  C    3.645904   5.441936   6.157629   4.333924   5.881606
    27  O    4.130567   5.827349   6.696250   4.778354   6.046239
    28  N    3.277354   5.769537   6.251483   4.828502   6.326424
    29  H    3.988625   5.131252   5.842083   3.886392   5.675615
    30  C    3.621369   5.888948   6.132350   4.979255   6.653549
    31  H    4.647883   6.976471   7.187886   6.041620   7.752471
    32  H    3.142745   5.664674   5.718276   4.976745   6.467296
    33  H    3.859702   5.439622   5.704173   4.418172   6.275209
    34  C    3.543167   6.592975   7.031766   5.839138   7.029951
    35  H    4.639268   7.643663   8.088355   6.820945   8.090625
    36  H    3.481806   6.459174   7.021349   5.768724   6.727519
    37  H    3.252061   6.568714   6.827187   5.988828   7.060560
    38  C    3.475020   4.942399   5.255083   5.416815   4.596083
    39  O    3.774718   4.242998   4.570780   4.937661   3.718717
    40  N    3.291183   5.267930   5.786843   5.405428   4.977131
    41  H    3.885984   5.680044   5.793056   6.212123   5.443055
    42  C    3.479182   4.900442   5.700024   4.804810   4.511212
    43  H    3.359319   3.981369   4.857226   3.997425   3.478138
    44  H    4.577764   5.773806   6.637655   5.677496   5.247207
    45  H    3.198281   5.031857   5.861966   4.652633   4.838004
    46  C    3.710869   6.386603   6.821425   6.374655   6.252951
    47  H    4.078488   6.828900   7.086082   6.965120   6.736105
    48  H    3.193924   6.228256   6.665357   6.025191   6.261189
    49  H    4.685613   7.221086   7.757799   7.142634   6.994602
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098864   0.000000
     8  H    1.102103   1.796699   0.000000
     9  H    1.102244   1.795499   1.791823   0.000000
    10  C    2.489624   3.417955   2.777628   2.745889   0.000000
    11  H    2.628860   3.666256   2.471410   2.885128   1.101408
    12  H    3.394181   4.191758   3.650193   3.786837   1.097904
    13  H    2.910566   3.843488   3.374116   2.745010   1.102534
    14  C    7.183168   7.735997   6.655179   7.990454   5.942753
    15  O    7.648995   8.134911   6.990607   8.493987   6.731175
    16  N    6.886887   7.338966   6.540143   7.752754   5.617058
    17  H    7.224149   7.908453   6.708661   7.914045   5.703280
    18  C    7.135562   7.376739   6.828496   8.113245   6.271297
    19  H    6.486627   6.634409   6.313858   7.486331   5.746384
    20  H    8.162465   8.374181   7.902019   9.137166   7.215565
    21  H    7.194711   7.388370   6.753975   8.205177   6.624570
    22  C    6.712224   7.233546   6.561350   7.477993   5.049433
    23  H    7.644205   8.112642   7.568295   8.407255   5.942102
    24  H    5.868518   6.328851   5.844442   6.651215   4.288505
    25  H    6.752950   7.417900   6.564084   7.400410   4.832037
    26  C    3.911192   4.714041   2.921516   4.206950   4.003956
    27  O    4.018427   4.601818   2.938599   4.331488   4.786812
    28  N    4.761568   5.563780   3.833834   5.205304   4.309999
    29  H    3.530393   4.487154   2.739907   3.598773   3.345947
    30  C    5.267448   6.193504   4.548583   5.626029   4.075396
    31  H    6.283756   7.227717   5.536766   6.559772   5.063855
    32  H    5.502703   6.358687   4.869424   6.010232   4.109101
    33  H    4.761073   5.777380   4.195291   4.963232   3.328214
    34  C    5.736426   6.366751   4.742378   6.325809   5.513687
    35  H    6.648279   7.307792   5.625327   7.140681   6.405572
    36  H    5.478956   5.950682   4.438385   6.140294   5.717640
    37  H    6.124844   6.731174   5.225091   6.813559   5.625663
    38  C    5.517234   5.176582   5.196437   6.609922   6.293371
    39  O    5.091644   4.591763   5.015981   6.168579   5.999756
    40  N    5.236764   4.991898   4.676288   6.279401   6.199400
    41  H    6.460433   6.196625   6.115833   7.559749   6.949725
    42  C    4.279064   3.963817   3.668628   5.236655   5.717787
    43  H    3.493625   3.028223   3.118959   4.488762   5.090362
    44  H    4.966323   4.509910   4.378762   5.832534   6.663713
    45  H    4.050202   3.992674   3.212056   4.923344   5.348580
    46  C    6.223800   6.151142   5.488404   7.218204   6.925057
    47  H    6.998508   6.929310   6.332742   8.030418   7.462195
    48  H    5.896940   6.015072   5.056638   6.832954   6.374277
    49  H    6.802818   6.662312   6.014453   7.743751   7.746272
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795382   0.000000
    13  H    1.791155   1.798289   0.000000
    14  C    5.542645   5.334472   6.890530   0.000000
    15  O    6.217052   6.258608   7.720043   1.243003   0.000000
    16  N    5.465661   4.871591   6.583281   1.360822   2.316161
    17  H    5.248326   5.079260   6.544363   1.108219   2.057668
    18  C    6.219128   5.588162   7.299125   2.469741   2.865737
    19  H    5.851174   5.074273   6.766620   3.264801   3.768952
    20  H    7.222122   6.453104   8.208602   3.088445   3.435865
    21  H    6.436917   6.088496   7.697425   2.572999   2.474809
    22  C    5.108454   4.118112   5.887065   2.466601   3.636535
    23  H    6.104752   4.942908   6.714513   3.175618   4.279577
    24  H    4.520240   3.344720   5.142997   3.195694   4.278462
    25  H    4.786913   3.908802   5.565937   2.552381   3.794325
    26  C    2.962349   4.603396   4.599888   5.659318   5.763211
    27  O    3.855350   5.483423   5.381832   6.424176   6.353686
    28  N    3.274625   4.601406   5.035060   4.481618   4.554472
    29  H    2.296300   4.061303   3.741585   6.089389   6.390376
    30  C    3.105502   4.129022   4.697598   4.054596   4.433378
    31  H    4.090324   5.099268   5.574588   4.466100   4.736380
    32  H    3.325228   3.889535   4.862962   3.011388   3.548924
    33  H    2.369194   3.480212   3.777667   4.760881   5.315284
    34  C    4.559278   5.690896   6.348635   4.152039   3.827536
    35  H    5.392124   6.608101   7.157505   4.792321   4.342742
    36  H    4.826710   5.991483   6.595865   4.695133   4.260517
    37  H    4.779526   5.591547   6.536793   3.110420   2.731295
    38  C    6.253017   6.243783   7.328296   5.655014   5.524037
    39  O    6.160080   5.969623   6.959950   6.330493   6.401071
    40  N    5.940572   6.315608   7.228525   5.603477   5.305404
    41  H    6.895278   6.755060   8.016525   5.325130   5.105429
    42  C    5.418557   6.082774   6.644088   6.385762   6.184623
    43  H    4.972539   5.486048   5.968343   6.615617   6.613189
    44  H    6.357088   7.102094   7.530791   7.380107   7.077361
    45  H    4.858582   5.785359   6.256596   6.025333   5.802058
    46  C    6.483505   6.987344   7.978955   5.161029   4.564268
    47  H    7.083582   7.372704   8.547901   4.881509   4.208257
    48  H    5.803412   6.450188   7.415336   4.496540   3.894419
    49  H    7.249880   7.907547   8.764120   6.121070   5.411226
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056542   0.000000
    18  C    1.464780   3.417491   0.000000
    19  H    2.098851   4.087259   1.101640   0.000000
    20  H    2.120887   3.991318   1.102877   1.790689   0.000000
    21  H    2.102229   3.652422   1.097313   1.798448   1.796818
    22  C    1.463039   2.561230   2.489141   2.615376   2.921752
    23  H    2.115588   3.303224   2.799962   2.950134   2.810661
    24  H    2.106095   3.352380   2.724503   2.389683   3.313491
    25  H    2.105559   2.157473   3.417151   3.631421   3.883663
    26  C    6.151032   5.478385   6.816634   6.763874   7.893027
    27  O    6.891754   6.401269   7.353150   7.256792   8.443139
    28  N    5.156987   4.250978   5.952739   6.085742   6.982561
    29  H    6.467954   5.774296   7.234722   7.095330   8.299695
    30  C    4.750274   3.493145   5.838203   6.035698   6.783439
    31  H    5.363313   3.765060   6.532972   6.863017   7.406747
    32  H    3.683940   2.435793   4.847004   5.111425   5.748960
    33  H    5.235293   4.144231   6.336896   6.380817   7.287790
    34  C    5.019359   4.161392   5.639399   5.949537   6.620098
    35  H    5.823944   4.694740   6.505450   6.917265   7.424497
    36  H    5.400847   4.910997   5.758472   5.964145   6.767573
    37  H    4.065796   3.217479   4.718066   5.159118   5.645267
    38  C    5.143522   6.507549   4.240924   3.695937   5.005773
    39  O    5.630891   7.102131   4.761199   3.969290   5.489970
    40  N    5.405660   6.380659   4.757799   4.424128   5.644827
    41  H    4.784342   6.290023   3.670322   3.272841   4.278977
    42  C    6.258928   6.986355   5.846307   5.428308   6.820740
    43  H    6.311866   7.157250   5.922786   5.327422   6.898997
    44  H    7.291636   8.004843   6.802222   6.397314   7.732284
    45  H    6.099763   6.505552   5.927515   5.641846   6.964070
    46  C    5.265216   5.983278   4.688811   4.696612   5.524819
    47  H    4.915082   5.831100   4.136137   4.264414   4.822765
    48  H    4.813167   5.200573   4.541780   4.669972   5.466519
    49  H    6.322410   6.914857   5.747653   5.779283   6.537962
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390858   0.000000
    23  H    3.831315   1.102436   0.000000
    24  H    3.608197   1.102726   1.789069   0.000000
    25  H    4.179339   1.098945   1.797724   1.795686   0.000000
    26  C    6.565404   6.459291   7.561213   6.196443   6.150371
    27  O    6.961158   7.338202   8.436002   7.020076   7.154851
    28  N    5.697648   5.583612   6.672729   5.525031   5.222292
    29  H    7.136911   6.529118   7.612469   6.187017   6.124876
    30  C    5.812283   4.909750   5.953751   4.981984   4.306044
    31  H    6.472755   5.566775   6.545985   5.799920   4.850731
    32  H    4.906325   3.865803   4.898661   4.049324   3.286957
    33  H    6.442481   5.109837   6.136343   5.020988   4.446362
    34  C    5.147348   5.804513   6.844360   5.897376   5.590812
    35  H    5.974312   6.634909   7.642687   6.833234   6.326549
    36  H    5.140863   6.268644   7.304576   6.236525   6.217534
    37  H    4.236648   4.974694   5.964282   5.202410   4.817046
    38  C    3.745311   5.895674   6.533467   5.375203   6.647700
    39  O    4.519016   6.108481   6.695740   5.397387   6.882763
    40  N    4.088371   6.275287   7.062321   5.843714   6.858951
    41  H    3.080941   5.682384   6.199503   5.315217   6.521849
    42  C    5.288093   6.948526   7.836459   6.401166   7.387299
    43  H    5.550761   6.786654   7.652001   6.090988   7.238865
    44  H    6.170367   8.029078   8.899411   7.486572   8.480376
    45  H    5.359436   6.799183   7.771133   6.336178   7.086879
    46  C    3.783446   6.386664   7.176287   6.200576   6.900988
    47  H    3.137567   6.145063   6.810085   6.065142   6.763490
    48  H    3.682882   5.928824   6.808149   5.823472   6.292098
    49  H    4.797104   7.470059   8.264467   7.293691   7.950784
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242536   0.000000
    28  N    1.361181   2.315086   0.000000
    29  H    1.107877   2.057419   2.057259   0.000000
    30  C    2.466347   3.635086   1.463564   2.562428   0.000000
    31  H    3.129412   4.221211   2.117966   3.248931   1.103003
    32  H    3.237839   4.329658   2.108190   3.402569   1.101965
    33  H    2.555600   3.797764   2.103434   2.165012   1.098777
    34  C    2.462416   2.850892   1.465025   3.413433   2.497825
    35  H    3.023875   3.321290   2.123941   3.942732   2.954367
    36  H    2.585871   2.502251   2.100848   3.659099   3.389754
    37  H    3.292740   3.808599   2.098084   4.114968   2.614781
    38  C    6.244265   6.072066   6.124133   6.826593   6.882103
    39  O    6.612855   6.469018   6.651968   7.027147   7.331614
    40  N    5.341951   5.007195   5.289061   6.062952   6.262208
    41  H    6.868633   6.783734   6.546508   7.497358   7.198767
    42  C    4.663981   4.115558   4.978401   5.321107   6.106043
    43  H    4.791738   4.367730   5.226447   5.238715   6.216017
    44  H    5.371791   4.615496   5.796806   6.060935   7.023042
    45  H    3.659338   3.062378   4.010301   4.411032   5.240902
    46  C    5.376724   5.052750   5.070331   6.269303   6.078058
    47  H    6.192169   6.002826   5.705986   7.058964   6.540998
    48  H    4.476468   4.265074   4.045422   5.413801   5.062159
    49  H    5.809947   5.276667   5.622178   6.769777   6.768697
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787919   0.000000
    33  H    1.799070   1.793779   0.000000
    34  C    2.824170   2.728179   3.420121   0.000000
    35  H    2.867092   3.341240   3.912525   1.103447   0.000000
    36  H    3.852772   3.596704   4.168438   1.097509   1.796384
    37  H    2.958271   2.387570   3.627148   1.099553   1.790759
    38  C    7.814344   6.423358   7.244498   5.783313   6.768147
    39  O    8.341887   6.896502   7.520564   6.554617   7.593114
    40  N    7.133307   5.967345   6.705092   4.826991   5.746354
    41  H    8.065381   6.610066   7.663209   6.046941   6.985102
    42  C    7.007639   6.050849   6.398791   4.771190   5.669064
    43  H    7.205445   6.149199   6.332627   5.299686   6.271221
    44  H    7.873334   7.042316   7.326289   5.502154   6.288377
    45  H    6.087613   5.315128   5.574108   3.818699   4.678170
    46  C    6.783735   5.765986   6.734622   4.229390   4.991270
    47  H    7.209465   6.065358   7.250917   4.791583   5.523487
    48  H    5.717086   4.800650   5.782947   3.133095   3.906436
    49  H    7.401964   6.577455   7.447985   4.680872   5.282889
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795554   0.000000
    38  C    5.131600   5.504168   0.000000
    39  O    5.941504   6.334307   1.243088   0.000000
    40  N    4.027233   4.725359   1.360973   2.314811   0.000000
    41  H    5.481025   5.589432   1.108582   2.058352   2.058287
    42  C    3.878163   4.983284   2.469941   2.862469   1.465626
    43  H    4.534387   5.495054   2.573175   2.468811   2.104457
    44  H    4.507299   5.806093   3.093118   3.442325   2.120897
    45  H    2.905178   4.189492   3.260965   3.758684   2.098739
    46  C    3.424965   4.038391   2.467345   3.634778   1.462879
    47  H    4.151507   4.363911   2.556026   3.798130   2.106228
    48  H    2.382091   2.962305   3.154447   4.228301   2.107119
    49  H    3.744905   4.657195   3.214347   4.319111   2.112095
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419251   0.000000
    43  H    3.653815   1.097711   0.000000
    44  H    3.996455   1.102418   1.797971   0.000000
    45  H    4.085963   1.100775   1.796282   1.789618   0.000000
    46  C    2.565881   2.487226   3.384034   2.939000   2.597168
    47  H    2.164605   3.417910   4.184089   3.876942   3.635106
    48  H    3.301758   2.752955   3.604589   3.383181   2.417337
    49  H    3.360753   2.762801   3.804464   2.802109   2.861027
                   46         47         48         49
    46  C    0.000000
    47  H    1.098562   0.000000
    48  H    1.103275   1.796464   0.000000
    49  H    1.102020   1.795979   1.790740   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2151694      0.1955005      0.1839077
 Leave Link  202 at Mon Nov 14 04:47:45 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.7167787126 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1845359044 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.5322428082 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4029
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.45D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     209
 GePol: Fraction of low-weight points (<1% of avg)   =       5.19%
 GePol: Cavity surface area                          =    468.636 Ang**2
 GePol: Cavity volume                                =    458.581 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040424509 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.5282003573 Hartrees.
 Leave Link  301 at Mon Nov 14 04:47:45 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37505.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:47:47 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:47:47 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001482   -0.000958   -0.001003
         Rot=    1.000000    0.000088    0.000014    0.000045 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:47:48 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48698523.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.38D-14 for   3468.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.88D-15 for   3717   2478.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.58D-14 for   3468.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.87D-10 for   1409   1371.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.03D-14 for    121.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.54D-14 for   2225    133.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   1914.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.11D-15 for   2323    126.
 E= -1013.45138572113    
 DIIS: error= 1.36D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45138572113     IErMin= 1 ErrMin= 1.36D-04
 ErrMax= 1.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-05 BMatP= 2.40D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.36D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=2.59D-05 MaxDP=8.63D-04              OVMax= 1.05D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.59D-05    CP:  1.00D+00
 E= -1013.45142076986     Delta-E=       -0.000035048728 Rises=F Damp=F
 DIIS: error= 2.75D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45142076986     IErMin= 2 ErrMin= 2.75D-05
 ErrMax= 2.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.08D-07 BMatP= 2.40D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.310D-01 0.969D+00
 Coeff:      0.310D-01 0.969D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=6.87D-06 MaxDP=5.90D-04 DE=-3.50D-05 OVMax= 6.16D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.75D-06    CP:  1.00D+00  9.54D-01
 E= -1013.45141818869     Delta-E=        0.000002581174 Rises=F Damp=F
 DIIS: error= 7.92D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45142076986     IErMin= 2 ErrMin= 2.75D-05
 ErrMax= 7.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.73D-06 BMatP= 6.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.254D-02 0.721D+00 0.277D+00
 Coeff:      0.254D-02 0.721D+00 0.277D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.20D-06 MaxDP=4.73D-04 DE= 2.58D-06 OVMax= 5.58D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.69D-06    CP:  1.00D+00  9.69D-01  2.75D-01
 E= -1013.45142125013     Delta-E=       -0.000003061445 Rises=F Damp=F
 DIIS: error= 1.06D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45142125013     IErMin= 4 ErrMin= 1.06D-05
 ErrMax= 1.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.22D-08 BMatP= 6.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.368D-04 0.253D+00 0.145D+00 0.602D+00
 Coeff:     -0.368D-04 0.253D+00 0.145D+00 0.602D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.09D-07 MaxDP=5.32D-05 DE=-3.06D-06 OVMax= 7.53D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.27D-07    CP:  1.00D+00  9.74D-01  3.08D-01  6.24D-01
 E= -1013.45142129141     Delta-E=       -0.000000041275 Rises=F Damp=F
 DIIS: error= 4.02D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45142129141     IErMin= 5 ErrMin= 4.02D-06
 ErrMax= 4.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-09 BMatP= 5.22D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.704D-05 0.140D+00 0.846D-01 0.398D+00 0.378D+00
 Coeff:     -0.704D-05 0.140D+00 0.846D-01 0.398D+00 0.378D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.04D-07 MaxDP=1.62D-05 DE=-4.13D-08 OVMax= 1.48D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.31D-07    CP:  1.00D+00  9.74D-01  3.06D-01  6.43D-01  6.46D-01
 E= -1013.45142129755     Delta-E=       -0.000000006147 Rises=F Damp=F
 DIIS: error= 3.41D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45142129755     IErMin= 6 ErrMin= 3.41D-07
 ErrMax= 3.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.90D-11 BMatP= 7.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-04 0.366D-01 0.230D-01 0.113D+00 0.148D+00 0.679D+00
 Coeff:     -0.170D-04 0.366D-01 0.230D-01 0.113D+00 0.148D+00 0.679D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.45D-08 MaxDP=1.75D-06 DE=-6.15D-09 OVMax= 1.91D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.97D-08    CP:  1.00D+00  9.74D-01  3.07D-01  6.48D-01  6.42D-01
                    CP:  8.91D-01
 E= -1013.45142129765     Delta-E=       -0.000000000095 Rises=F Damp=F
 DIIS: error= 1.16D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45142129765     IErMin= 7 ErrMin= 1.16D-07
 ErrMax= 1.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-11 BMatP= 7.90D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-04 0.962D-02 0.635D-02 0.325D-01 0.536D-01 0.385D+00
 Coeff-Com:  0.513D+00
 Coeff:     -0.129D-04 0.962D-02 0.635D-02 0.325D-01 0.536D-01 0.385D+00
 Coeff:      0.513D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.24D-08 MaxDP=5.23D-07 DE=-9.55D-11 OVMax= 7.01D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.05D-09    CP:  1.00D+00  9.74D-01  3.07D-01  6.48D-01  6.46D-01
                    CP:  8.91D-01  7.23D-01
 E= -1013.45142129765     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 6.12D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -1013.45142129765     IErMin= 8 ErrMin= 6.12D-08
 ErrMax= 6.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-12 BMatP= 1.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.724D-05 0.366D-02 0.250D-02 0.129D-01 0.238D-01 0.196D+00
 Coeff-Com:  0.325D+00 0.436D+00
 Coeff:     -0.724D-05 0.366D-02 0.250D-02 0.129D-01 0.238D-01 0.196D+00
 Coeff:      0.325D+00 0.436D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.68D-09 MaxDP=3.10D-07 DE= 2.73D-12 OVMax= 5.44D-07

 Error on total polarization charges =  0.04316
 SCF Done:  E(RB97D) =  -1013.45142130     A.U. after    8 cycles
            NFock=  8  Conv=0.57D-08     -V/T= 2.0213
 KE= 9.923509544524D+02 PE=-6.030596143924D+03 EE= 2.175265567817D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:49:30 2016, MaxMem=  2952790016 cpu:      1167.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37505.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     364
 Leave Link  701 at Mon Nov 14 04:49:38 2016, MaxMem=  2952790016 cpu:        96.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:49:38 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:50:15 2016, MaxMem=  2952790016 cpu:       441.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.22562590D+00-2.55526738D+00 3.32180546D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000059155   -0.000165046   -0.000249436
      2        6           0.000149213    0.000066912    0.000071492
      3        8           0.000005866   -0.000023177   -0.000014369
      4        7          -0.000197570   -0.000025035    0.000061081
      5        1           0.000007742    0.000038665   -0.000057609
      6        6           0.000045114    0.000050144    0.000060894
      7        1           0.000015363    0.000005000    0.000009105
      8        1          -0.000011951    0.000039297   -0.000022984
      9        1           0.000026599   -0.000018608    0.000036129
     10        6           0.000124023   -0.000049506    0.000063097
     11        1          -0.000005750    0.000117497    0.000031427
     12        1           0.000025294    0.000030045   -0.000033612
     13        1           0.000008704    0.000031816    0.000013364
     14        6           0.000013644    0.000025303    0.000122017
     15        8          -0.000032981   -0.000028949   -0.000044640
     16        7          -0.000049182    0.000024906   -0.000044228
     17        1          -0.000012664   -0.000009693   -0.000023124
     18        6          -0.000093074    0.000039909    0.000050717
     19        1          -0.000031124    0.000080736    0.000036561
     20        1           0.000001149    0.000006519   -0.000041783
     21        1           0.000036620    0.000055768   -0.000041501
     22        6           0.000015713    0.000039757   -0.000166434
     23        1           0.000033238   -0.000038357    0.000022848
     24        1           0.000086690   -0.000002684   -0.000029764
     25        1           0.000017279    0.000039390    0.000006860
     26        6          -0.000055136   -0.000018772    0.000034306
     27        8          -0.000026331    0.000007436    0.000046952
     28        7           0.000056389    0.000149266   -0.000018834
     29        1           0.000001812   -0.000017124    0.000014708
     30        6          -0.000067548   -0.000042662   -0.000094239
     31        1          -0.000014640    0.000002155    0.000052671
     32        1          -0.000010043   -0.000029481    0.000053893
     33        1           0.000041724   -0.000009123    0.000038812
     34        6          -0.000060338   -0.000130010   -0.000019627
     35        1          -0.000013855   -0.000003324    0.000013138
     36        1          -0.000046767   -0.000024598   -0.000014964
     37        1           0.000027472   -0.000050301    0.000029762
     38        6          -0.000141395   -0.000062315   -0.000071658
     39        8           0.000072528   -0.000012017    0.000028107
     40        7           0.000110148    0.000109844   -0.000036181
     41        1           0.000005604    0.000025423    0.000034787
     42        6           0.000059791   -0.000208006    0.000051925
     43        1           0.000016286    0.000107502    0.000042491
     44        1          -0.000053020    0.000058858   -0.000048738
     45        1          -0.000004867    0.000040679   -0.000014195
     46        6          -0.000013622   -0.000001572    0.000214910
     47        1           0.000003313   -0.000070158   -0.000095120
     48        1          -0.000000170   -0.000137880   -0.000017699
     49        1          -0.000006134   -0.000014428   -0.000041315
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000249436 RMS     0.000065533
 Leave Link  716 at Mon Nov 14 04:50:15 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000084321 RMS     0.000015441
 Search for a local minimum.
 Step number 107 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15441D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
                                                    101  102  103  104  105
                                                    106  107
 DE= -1.64D-06 DEPred=-9.16D-07 R= 1.79D+00
 TightC=F SS=  1.41D+00  RLast= 5.71D-02 DXNew= 7.6174D-01 1.7122D-01
 Trust test= 1.79D+00 RLast= 5.71D-02 DXMaxT set to 4.53D-01
 ITU=  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0
 ITU=  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0
 ITU= -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00005   0.00035   0.00076   0.00092
     Eigenvalues ---    0.00112   0.00145   0.00184   0.00211   0.00240
     Eigenvalues ---    0.00252   0.00258   0.00317   0.00425   0.00475
     Eigenvalues ---    0.00571   0.00657   0.00713   0.00772   0.00816
     Eigenvalues ---    0.00844   0.00920   0.00953   0.01055   0.01126
     Eigenvalues ---    0.01195   0.01213   0.01296   0.01322   0.01399
     Eigenvalues ---    0.01557   0.01582   0.01698   0.01753   0.01811
     Eigenvalues ---    0.01826   0.01861   0.01915   0.01980   0.02059
     Eigenvalues ---    0.02113   0.02274   0.02361   0.02427   0.02530
     Eigenvalues ---    0.02567   0.02679   0.03050   0.03098   0.03248
     Eigenvalues ---    0.03820   0.04377   0.04505   0.05011   0.05585
     Eigenvalues ---    0.05832   0.05945   0.06187   0.06237   0.06446
     Eigenvalues ---    0.06565   0.06833   0.06927   0.07199   0.07474
     Eigenvalues ---    0.07629   0.07739   0.08028   0.08094   0.08313
     Eigenvalues ---    0.08447   0.08559   0.08848   0.08919   0.09248
     Eigenvalues ---    0.09311   0.09467   0.09560   0.09868   0.09945
     Eigenvalues ---    0.10078   0.10373   0.10601   0.10735   0.10883
     Eigenvalues ---    0.11234   0.11323   0.11396   0.12326   0.13130
     Eigenvalues ---    0.13603   0.13989   0.14705   0.15024   0.15401
     Eigenvalues ---    0.15655   0.16465   0.20592   0.22112   0.22855
     Eigenvalues ---    0.23790   0.24582   0.24705   0.25834   0.26773
     Eigenvalues ---    0.26871   0.27533   0.28319   0.29185   0.29485
     Eigenvalues ---    0.29971   0.30514   0.32807   0.32823   0.32838
     Eigenvalues ---    0.32925   0.33304   0.33342   0.33374   0.33376
     Eigenvalues ---    0.33414   0.33422   0.33482   0.33556   0.33717
     Eigenvalues ---    0.33800   0.33825   0.33853   0.33941   0.33959
     Eigenvalues ---    0.34045   0.34246   0.34263   0.36801   0.38701
     Eigenvalues ---    0.40437   0.41319   0.86042   0.86199   0.86651
     Eigenvalues ---    0.89058
 Eigenvalue     1 is   7.06D-06 Eigenvector:
                         D147       D54      D273      D146      D104
   1                   -0.16283   0.14070   0.12082  -0.11292  -0.11089
                          D52       D53      D103      D149       D10
   1                    0.10911   0.10770  -0.10757  -0.10204   0.10154
 Eigenvalue     2 is   5.31D-05 Eigenvector:
                         D407      D399      D397      D405      D403
   1                   -0.22695  -0.22499  -0.22386  -0.22365  -0.22271
                         D395      D401      D393      D379      D389
   1                   -0.22135  -0.22070  -0.22043  -0.21956  -0.21945
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   107  106  105  104  103
 RFO step:  Lambda=-8.10686266D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.40D-07 SmlDif=  1.00D-05
 RMS Error=  0.1074199352D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    3.08160   -2.89537   -7.90061    9.37278   -0.65839
 Iteration  1 RMS(Cart)=  0.00628449 RMS(Int)=  0.00009950
 Iteration  2 RMS(Cart)=  0.00002957 RMS(Int)=  0.00009204
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00009204
 ITry= 1 IFail=0 DXMaxC= 3.76D-02 DCOld= 1.00D+10 DXMaxT= 4.53D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58429   0.00002   0.00877  -0.00282   0.00596   6.59025
    R2        6.25963  -0.00001   0.00038   0.00042   0.00073   6.26037
    R3        7.23157   0.00000   0.00933  -0.00653   0.00272   7.23429
    R4        6.31953   0.00001   0.01123  -0.01111   0.00013   6.31967
    R5        6.52996  -0.00001  -0.00076   0.00138   0.00061   6.53057
    R6        5.97314  -0.00002   0.00092  -0.00048   0.00043   5.97357
    R7        6.68949  -0.00001   0.00754  -0.00066   0.00683   6.69631
    R8        6.22939  -0.00003  -0.00186   0.00065  -0.00128   6.22811
    R9        6.66702  -0.00003  -0.00684   0.00047  -0.00634   6.66068
   R10        6.06080  -0.00002   0.00118   0.00049   0.00170   6.06249
   R11        6.94738   0.00000   0.00304  -0.00117   0.00184   6.94922
   R12        6.02420   0.00000   0.00258  -0.00122   0.00136   6.02556
   R13        6.88976  -0.00004  -0.00346   0.00136  -0.00208   6.88768
   R14        6.19330  -0.00002   0.00140   0.00005   0.00150   6.19481
   R15        6.84340   0.00001   0.01400  -0.00358   0.01052   6.85392
   R16        5.93893   0.00001   0.01016  -0.00211   0.00798   5.94691
   R17        6.69562  -0.00003  -0.00751   0.00189  -0.00559   6.69002
   R18        6.56684  -0.00001   0.00543  -0.00073   0.00470   6.57153
   R19        6.21943  -0.00001   0.00205  -0.00019   0.00185   6.22128
   R20        6.57470   0.00000  -0.00130   0.00017  -0.00116   6.57354
   R21        6.04388   0.00003   0.00022  -0.00028  -0.00010   6.04377
   R22        7.01253   0.00001   0.00050   0.00179   0.00232   7.01484
   R23        6.03564  -0.00001  -0.00954   0.00443  -0.00511   6.03053
   R24        2.34953   0.00005   0.00006  -0.00001   0.00005   2.34958
   R25        2.57203  -0.00008  -0.00032   0.00005  -0.00017   2.57187
   R26        2.09456   0.00001   0.00011  -0.00003   0.00008   2.09464
   R27        2.76520   0.00001   0.00009   0.00004   0.00025   2.76545
   R28        2.76810   0.00004   0.00022   0.00002   0.00023   2.76833
   R29        2.07655   0.00000   0.00000   0.00002   0.00002   2.07657
   R30        2.08267  -0.00003  -0.00019   0.00001   0.00003   2.08270
   R31        2.08294  -0.00001  -0.00001  -0.00008  -0.00009   2.08285
   R32        2.08136  -0.00003  -0.00031   0.00001  -0.00029   2.08107
   R33        2.07474  -0.00001  -0.00007   0.00001  -0.00006   2.07468
   R34        2.08349   0.00000   0.00000  -0.00003  -0.00003   2.08345
   R35        2.34894  -0.00002  -0.00015  -0.00001  -0.00016   2.34877
   R36        2.57158   0.00005   0.00036  -0.00015   0.00064   2.57222
   R37        2.09423   0.00000  -0.00004  -0.00001  -0.00005   2.09418
   R38        2.76803   0.00003   0.00036   0.00000   0.00006   2.76809
   R39        2.76474   0.00004   0.00055  -0.00017   0.00058   2.76532
   R40        2.08180   0.00001  -0.00006  -0.00005  -0.00017   2.08163
   R41        2.08413  -0.00001  -0.00008   0.00003  -0.00005   2.08409
   R42        2.07362   0.00001   0.00026  -0.00003   0.00023   2.07386
   R43        2.08330   0.00000  -0.00004   0.00001  -0.00003   2.08327
   R44        2.08385  -0.00001  -0.00033   0.00008  -0.00029   2.08356
   R45        2.07671   0.00000  -0.00003   0.00002  -0.00002   2.07669
   R46        2.34805   0.00003   0.00018  -0.00004   0.00014   2.34819
   R47        2.57226  -0.00004  -0.00035   0.00012  -0.00025   2.57201
   R48        2.09358   0.00001   0.00003   0.00000   0.00003   2.09361
   R49        2.76574   0.00002  -0.00019   0.00010  -0.00017   2.76557
   R50        2.76850   0.00003   0.00012   0.00001   0.00007   2.76856
   R51        2.08437   0.00001   0.00002  -0.00001   0.00002   2.08439
   R52        2.08241   0.00001  -0.00021   0.00010  -0.00038   2.08203
   R53        2.07639  -0.00001  -0.00020   0.00005  -0.00015   2.07624
   R54        2.08521   0.00000  -0.00003  -0.00001  -0.00003   2.08518
   R55        2.07399   0.00000  -0.00004  -0.00002  -0.00005   2.07394
   R56        2.07785   0.00000  -0.00003   0.00001  -0.00002   2.07784
   R57        2.34910  -0.00005  -0.00016  -0.00002  -0.00018   2.34891
   R58        2.57187   0.00005   0.00044  -0.00010   0.00031   2.57217
   R59        2.09492  -0.00001   0.00003  -0.00003   0.00001   2.09492
   R60        2.76963  -0.00003   0.00014  -0.00013   0.00013   2.76976
   R61        2.76444   0.00006   0.00057  -0.00004   0.00055   2.76499
   R62        2.07437  -0.00001   0.00009  -0.00001   0.00008   2.07445
   R63        2.08327   0.00003   0.00017  -0.00002   0.00015   2.08342
   R64        2.08016  -0.00002  -0.00010   0.00007   0.00001   2.08018
   R65        2.07598   0.00001   0.00006   0.00000   0.00006   2.07604
   R66        2.08489   0.00002   0.00035  -0.00017   0.00017   2.08505
   R67        2.08252  -0.00003  -0.00023   0.00001  -0.00022   2.08230
    A1        0.68207  -0.00001  -0.00091   0.00049  -0.00036   0.68171
    A2        0.95952  -0.00001  -0.00130   0.00052  -0.00069   0.95883
    A3        0.72770   0.00000  -0.00047   0.00010  -0.00034   0.72736
    A4        1.02007  -0.00001  -0.00067   0.00010  -0.00055   1.01953
    A5        2.36268   0.00001  -0.01008   0.00289  -0.00689   2.35579
    A6        2.03438   0.00000  -0.00530   0.00165  -0.00352   2.03085
    A7        1.97324   0.00001   0.00320  -0.00067   0.00260   1.97583
    A8        1.67786   0.00000   0.00442  -0.00124   0.00316   1.68102
    A9        1.66953   0.00000  -0.00810   0.00244  -0.00568   1.66385
   A10        1.38618   0.00000  -0.00721   0.00221  -0.00505   1.38113
   A11        1.73615  -0.00001  -0.00151   0.00026  -0.00121   1.73494
   A12        2.04391  -0.00001  -0.00351   0.00068  -0.00276   2.04114
   A13        1.95357   0.00000  -0.00625   0.00135  -0.00483   1.94874
   A14        2.04866   0.00000  -0.01034   0.00256  -0.00771   2.04096
   A15        2.43463   0.00000  -0.00120   0.00018  -0.00093   2.43370
   A16        1.57953   0.00001   0.00611   0.00055   0.00664   1.58617
   A17        1.78072   0.00001   0.00580   0.00058   0.00637   1.78708
   A18        1.56129   0.00000   0.00471   0.00060   0.00530   1.56659
   A19        1.70357  -0.00001   0.00337   0.00055   0.00395   1.70752
   A20        2.18383   0.00002   0.00586   0.00043   0.00628   2.19011
   A21        2.40252   0.00002   0.00733   0.00005   0.00740   2.40992
   A22        0.64479   0.00000  -0.00059   0.00066   0.00015   0.64494
   A23        0.65983   0.00000  -0.00025  -0.00001  -0.00025   0.65957
   A24        2.42589   0.00001  -0.01516   0.00417  -0.01086   2.41503
   A25        2.24104   0.00000  -0.00917   0.00256  -0.00650   2.23454
   A26        2.32124   0.00000   0.00044   0.00001   0.00059   2.32183
   A27        2.05174  -0.00001   0.00310  -0.00098   0.00214   2.05388
   A28        1.83374  -0.00001  -0.00943   0.00265  -0.00683   1.82691
   A29        1.58948  -0.00001  -0.00762   0.00219  -0.00548   1.58399
   A30        1.34184   0.00001  -0.00101   0.00009  -0.00089   1.34094
   A31        1.64460   0.00000  -0.00294   0.00053  -0.00236   1.64224
   A32        1.60024   0.00001  -0.00566   0.00125  -0.00436   1.59589
   A33        1.76014   0.00002  -0.00968   0.00246  -0.00717   1.75298
   A34        2.03786   0.00001  -0.00106   0.00010  -0.00090   2.03696
   A35        1.84771   0.00000   0.00332   0.00120   0.00451   1.85222
   A36        1.91777  -0.00001   0.00242   0.00130   0.00371   1.92148
   A37        1.57119   0.00000   0.00156   0.00130   0.00284   1.57403
   A38        1.59183  -0.00001   0.00032   0.00117   0.00151   1.59334
   A39        2.27377   0.00001   0.00204   0.00112   0.00316   2.27692
   A40        2.36745   0.00002   0.00410   0.00041   0.00453   2.37198
   A41        0.69063   0.00000  -0.00066   0.00048  -0.00017   0.69045
   A42        0.74857  -0.00002  -0.00092   0.00048  -0.00044   0.74813
   A43        2.69387   0.00001  -0.01611   0.00456  -0.01147   2.68239
   A44        2.62348   0.00000  -0.01067   0.00330  -0.00722   2.61626
   A45        2.65161   0.00000   0.00311  -0.00048   0.00292   2.65453
   A46        2.34408  -0.00001   0.00445  -0.00098   0.00352   2.34761
   A47        2.21480  -0.00001  -0.01032   0.00323  -0.00711   2.20769
   A48        1.97665  -0.00001  -0.00839   0.00276  -0.00565   1.97100
   A49        1.10071   0.00000  -0.00083   0.00006  -0.00079   1.09992
   A50        1.46243  -0.00001  -0.00181   0.00032  -0.00147   1.46096
   A51        1.57034   0.00000  -0.00503   0.00135  -0.00366   1.56669
   A52        1.81256   0.00001  -0.00841   0.00240  -0.00597   1.80659
   A53        1.78288   0.00001   0.00100  -0.00044   0.00059   1.78347
   A54        1.71112   0.00001   0.00057   0.00131   0.00185   1.71297
   A55        1.64819   0.00000   0.00065   0.00110   0.00172   1.64991
   A56        1.24833   0.00000   0.00056   0.00101   0.00151   1.24985
   A57        1.21751  -0.00001   0.00031   0.00071   0.00100   1.21851
   A58        1.94270   0.00001   0.00093   0.00073   0.00164   1.94434
   A59        1.98904   0.00002   0.00422  -0.00014   0.00406   1.99310
   A60        0.84101  -0.00001   0.00021   0.00080   0.00106   0.84207
   A61        0.77749  -0.00002   0.00023   0.00097   0.00123   0.77873
   A62        2.62418   0.00001  -0.01013   0.00321  -0.00669   2.61750
   A63        2.79325   0.00001  -0.01122   0.00389  -0.00726   2.78599
   A64        2.60127  -0.00001   0.00436  -0.00126   0.00318   2.60445
   A65        2.41337  -0.00001  -0.00932   0.00337  -0.00594   2.40742
   A66        2.21540  -0.00001  -0.00768   0.00287  -0.00480   2.21059
   A67        0.85832   0.00000   0.00014   0.00032   0.00042   0.85874
   A68        1.23485   0.00000  -0.00016   0.00044   0.00027   1.23513
   A69        1.42127   0.00001  -0.00279   0.00151  -0.00127   1.42001
   A70        1.69726   0.00001  -0.00520   0.00228  -0.00288   1.69438
   A71        1.51814   0.00002   0.00223  -0.00045   0.00176   1.51990
   A72        1.73258   0.00000  -0.00338   0.00118  -0.00224   1.73034
   A73        1.56409  -0.00001  -0.00293   0.00096  -0.00203   1.56206
   A74        1.13470   0.00000  -0.00291   0.00095  -0.00205   1.13265
   A75        1.02549  -0.00001  -0.00238   0.00069  -0.00175   1.02374
   A76        1.78058   0.00001  -0.00191   0.00055  -0.00142   1.77916
   A77        1.76798   0.00002   0.00234  -0.00031   0.00197   1.76995
   A78        2.03006   0.00001  -0.01591   0.00438  -0.01145   2.01861
   A79        1.96473   0.00001  -0.01134   0.00307  -0.00822   1.95651
   A80        2.23040   0.00002  -0.00491   0.00135  -0.00344   2.22697
   A81        2.07943   0.00001  -0.00021  -0.00034  -0.00051   2.07891
   A82        1.57238   0.00000  -0.00949   0.00256  -0.00698   1.56540
   A83        1.40151   0.00000  -0.00691   0.00188  -0.00509   1.39642
   A84        1.19697  -0.00001  -0.00069  -0.00014  -0.00081   1.19616
   A85        1.38853  -0.00001  -0.00357   0.00058  -0.00295   1.38558
   A86        1.22657   0.00000  -0.00576   0.00123  -0.00449   1.22208
   A87        1.34169   0.00001  -0.00992   0.00253  -0.00733   1.33436
   A88        1.81440   0.00000  -0.00305   0.00044  -0.00255   1.81185
   A89        2.27728   0.00001   0.00395   0.00102   0.00499   2.28227
   A90        2.33021   0.00000   0.00105   0.00142   0.00249   2.33270
   A91        1.93870   0.00000  -0.00032   0.00152   0.00118   1.93988
   A92        1.86634  -0.00001  -0.00239   0.00150  -0.00087   1.86546
   A93        2.62076   0.00000  -0.00135   0.00133   0.00002   2.62078
   A94        2.56377   0.00000  -0.00062   0.00052  -0.00008   2.56369
   A95        1.94591   0.00003  -0.01493   0.00399  -0.01091   1.93499
   A96        2.01822   0.00002  -0.01129   0.00285  -0.00842   2.00980
   A97        2.38638   0.00003  -0.00728   0.00179  -0.00540   2.38099
   A98        2.33018   0.00002  -0.00158  -0.00021  -0.00172   2.32846
   A99        1.68244   0.00001  -0.00807   0.00195  -0.00617   1.67627
   A100       1.58465   0.00000  -0.00535   0.00123  -0.00417   1.58047
   A101       0.88993  -0.00001  -0.00077  -0.00004  -0.00079   0.88915
   A102       1.06662  -0.00001  -0.00353   0.00067  -0.00282   1.06380
   A103       0.94222   0.00001  -0.00549   0.00127  -0.00417   0.93804
   A104       1.11133   0.00002  -0.00902   0.00239  -0.00659   1.10474
   A105       1.49223   0.00000  -0.00296   0.00052  -0.00239   1.48984
   A106       2.45811  -0.00001   0.00011   0.00169   0.00185   2.45996
   A107       2.33971  -0.00003  -0.00335   0.00198  -0.00136   2.33836
   A108       1.90743  -0.00002  -0.00356   0.00201  -0.00156   1.90587
   A109       1.73905  -0.00003  -0.00509   0.00195  -0.00315   1.73590
   A110       2.46385  -0.00001  -0.00545   0.00160  -0.00384   2.46001
   A111       2.30231  -0.00001  -0.00312   0.00073  -0.00239   2.29992
   A112       0.71391   0.00001  -0.00013  -0.00001  -0.00013   0.71379
   A113       1.00575   0.00001  -0.00006  -0.00008  -0.00013   1.00561
   A114       0.69670   0.00001  -0.00055   0.00012  -0.00030   0.69640
   A115       0.98483   0.00001  -0.00064   0.00013  -0.00037   0.98446
   A116       1.81353   0.00000  -0.00490   0.00094  -0.00402   1.80951
   A117       1.43300   0.00001  -0.00494   0.00097  -0.00405   1.42895
   A118       1.20354   0.00000  -0.00652   0.00151  -0.00507   1.19847
   A119       0.92789   0.00000  -0.00522   0.00114  -0.00409   0.92380
   A120       1.25270  -0.00002  -0.00234   0.00007  -0.00238   1.25032
   A121       1.87513  -0.00001   0.01546  -0.00570   0.00971   1.88484
   A122       1.92290  -0.00001   0.01468  -0.00579   0.00886   1.93176
   A123       2.28542  -0.00001   0.01279  -0.00536   0.00750   2.29292
   A124       2.21201   0.00000   0.00840  -0.00401   0.00453   2.21654
   A125       1.58353  -0.00002   0.01298  -0.00529   0.00766   1.59119
   A126       1.45942  -0.00003   0.00771  -0.00408   0.00358   1.46300
   A127       0.65665   0.00001   0.00016  -0.00012  -0.00002   0.65663
   A128       0.66078   0.00000   0.00022  -0.00005   0.00020   0.66098
   A129       2.17603   0.00001  -0.00457   0.00064  -0.00392   2.17211
   A130       1.80369   0.00001  -0.00447   0.00063  -0.00384   1.79986
   A131       1.51146   0.00000  -0.00483   0.00075  -0.00408   1.50738
   A132       1.21734   0.00000  -0.00376   0.00043  -0.00328   1.21406
   A133       1.64678  -0.00001  -0.00290   0.00013  -0.00276   1.64403
   A134       1.72476  -0.00001   0.01459  -0.00461   0.00997   1.73473
   A135       1.92484   0.00000   0.01430  -0.00483   0.00947   1.93431
   A136       2.35517   0.00000   0.01416  -0.00484   0.00935   2.36452
   A137       2.44042   0.00001   0.01107  -0.00421   0.00698   2.44740
   A138       1.69724  -0.00001   0.01209  -0.00437   0.00775   1.70499
   A139       1.67063  -0.00002   0.00610  -0.00314   0.00299   1.67362
   A140       0.70439   0.00002   0.00062  -0.00004   0.00053   0.70492
   A141       0.82963   0.00002   0.00173  -0.00038   0.00130   0.83093
   A142       2.50763   0.00001  -0.00594   0.00127  -0.00465   2.50298
   A143       2.12892   0.00001  -0.00622   0.00136  -0.00485   2.12407
   A144       1.91087   0.00001  -0.00587   0.00120  -0.00467   1.90620
   A145       1.62356   0.00001  -0.00429   0.00073  -0.00353   1.62003
   A146       1.84633  -0.00001  -0.00576   0.00123  -0.00450   1.84184
   A147       1.30092  -0.00002   0.01378  -0.00435   0.00943   1.31035
   A148       1.54314   0.00000   0.01268  -0.00404   0.00866   1.55180
   A149       1.97379  -0.00001   0.01294  -0.00413   0.00886   1.98265
   A150       2.15568   0.00000   0.01118  -0.00359   0.00767   2.16335
   A151       1.40844  -0.00002   0.00952  -0.00308   0.00646   1.41490
   A152       1.48103  -0.00002   0.00310  -0.00162   0.00152   1.48254
   A153       0.76804   0.00002  -0.00006  -0.00022  -0.00038   0.76765
   A154       0.76591   0.00003   0.00117  -0.00066   0.00041   0.76632
   A155       2.81777   0.00001  -0.00528   0.00102  -0.00425   2.81352
   A156       2.43644   0.00002  -0.00549   0.00109  -0.00438   2.43206
   A157       2.16626   0.00001  -0.00434   0.00045  -0.00388   2.16238
   A158       1.87111   0.00001  -0.00328   0.00015  -0.00311   1.86800
   A159       2.15614   0.00000  -0.00546   0.00139  -0.00403   2.15211
   A160       1.16973  -0.00002   0.01198  -0.00279   0.00919   1.17893
   A161       1.49753   0.00000   0.01092  -0.00241   0.00853   1.50606
   A162       1.89341  -0.00001   0.01164  -0.00269   0.00899   1.90239
   A163       2.15501  -0.00001   0.01093  -0.00239   0.00859   2.16360
   A164       1.48673  -0.00001   0.00772  -0.00146   0.00629   1.49302
   A165       1.63533  -0.00001   0.00209  -0.00029   0.00186   1.63718
   A166       2.16076   0.00000  -0.00206  -0.00022  -0.00225   2.15852
   A167       1.86205   0.00000  -0.00162  -0.00037  -0.00195   1.86010
   A168       1.47584  -0.00001  -0.00119  -0.00048  -0.00162   1.47422
   A169       1.19652  -0.00001  -0.00092  -0.00053  -0.00135   1.19516
   A170       1.86772  -0.00002  -0.00036  -0.00077  -0.00106   1.86666
   A171       1.93776   0.00001   0.01176  -0.00300   0.00879   1.94655
   A172       2.24100   0.00002   0.01248  -0.00364   0.00888   2.24989
   A173       2.65911   0.00001   0.01206  -0.00328   0.00887   2.66798
   A174       2.08850   0.00000   0.01134  -0.00389   0.00751   2.09601
   A175       2.07930  -0.00001   0.00595  -0.00309   0.00294   2.08225
   A176       2.26887  -0.00001  -0.00145  -0.00037  -0.00178   2.26709
   A177       2.04936  -0.00001  -0.00108  -0.00056  -0.00158   2.04777
   A178       1.63769  -0.00001  -0.00023  -0.00078  -0.00095   1.63674
   A179       1.38800  -0.00001  -0.00056  -0.00064  -0.00108   1.38692
   A180       2.13408  -0.00002  -0.00018  -0.00086  -0.00097   2.13312
   A181       1.87586   0.00001   0.00975  -0.00181   0.00798   1.88383
   A182       2.24836   0.00002   0.01029  -0.00221   0.00813   2.25648
   A183       2.57430   0.00002   0.00765  -0.00100   0.00677   2.58107
   A184       2.23123   0.00001   0.01038  -0.00299   0.00743   2.23866
   A185       2.29877  -0.00001   0.00552  -0.00253   0.00304   2.30182
   A186       0.69248   0.00000  -0.00051   0.00014  -0.00038   0.69210
   A187       0.98415   0.00001  -0.00104   0.00027  -0.00081   0.98333
   A188       0.69864   0.00001   0.00056  -0.00011   0.00043   0.69907
   A189       2.13839   0.00000  -0.00829   0.00214  -0.00618   2.13221
   A190       1.75569  -0.00001  -0.00804   0.00201  -0.00606   1.74963
   A191       1.42664  -0.00001  -0.00792   0.00218  -0.00578   1.42086
   A192       1.12142  -0.00001  -0.00816   0.00215  -0.00605   1.11537
   A193       1.63907   0.00000  -0.00686   0.00151  -0.00537   1.63370
   A194       1.42190   0.00000  -0.00336   0.00080  -0.00261   1.41929
   A195       0.66790   0.00000  -0.00066   0.00013  -0.00058   0.66731
   A196       2.27162   0.00000  -0.00565   0.00065  -0.00501   2.26661
   A197       1.87206  -0.00001  -0.00550   0.00069  -0.00482   1.86724
   A198       1.65591  -0.00001  -0.00577   0.00112  -0.00467   1.65124
   A199       1.33549   0.00000  -0.00584   0.00112  -0.00474   1.33075
   A200       1.62001  -0.00001  -0.00439   0.00029  -0.00413   1.61589
   A201       1.35040   0.00000  -0.00238  -0.00007  -0.00250   1.34791
   A202       0.71191  -0.00001  -0.00060   0.00009  -0.00054   0.71138
   A203       2.64874   0.00000  -0.00451  -0.00013  -0.00457   2.64417
   A204       2.26602  -0.00001  -0.00535   0.00038  -0.00494   2.26108
   A205       2.07006   0.00000  -0.00705   0.00152  -0.00555   2.06452
   A206       1.74977   0.00000  -0.00710   0.00150  -0.00563   1.74414
   A207       1.95435  -0.00001  -0.00341  -0.00033  -0.00374   1.95062
   A208       1.67082  -0.00001  -0.00246  -0.00045  -0.00296   1.66786
   A209       0.83255  -0.00001   0.00087  -0.00045   0.00036   0.83291
   A210       2.65499  -0.00001   0.00409  -0.00312   0.00105   2.65604
   A211       2.37502  -0.00001   0.00021  -0.00174  -0.00145   2.37357
   A212       2.30374  -0.00001  -0.00449   0.00037  -0.00405   2.29969
   A213       1.98794   0.00000  -0.00496   0.00061  -0.00432   1.98362
   A214       1.99495  -0.00002   0.00172  -0.00215  -0.00041   1.99454
   A215       1.71920  -0.00002   0.00098  -0.00185  -0.00092   1.71828
   A216       1.93697   0.00000  -0.00356  -0.00029  -0.00390   1.93307
   A217       1.56711   0.00000  -0.00326  -0.00027  -0.00357   1.56353
   A218       1.49388   0.00001  -0.00259  -0.00018  -0.00279   1.49109
   A219       1.20056   0.00001  -0.00228  -0.00015  -0.00248   1.19809
   A220       1.24418  -0.00001  -0.00319  -0.00024  -0.00347   1.24071
   A221       0.96225  -0.00001  -0.00215  -0.00037  -0.00257   0.95968
   A222       0.72620   0.00001  -0.00019   0.00003  -0.00015   0.72605
   A223       1.01802   0.00000  -0.00009   0.00002  -0.00006   1.01796
   A224       0.69803   0.00001  -0.00031  -0.00009  -0.00041   0.69762
   A225       0.98208   0.00001  -0.00086  -0.00005  -0.00091   0.98117
   A226       0.65806   0.00000   0.00018  -0.00003   0.00016   0.65821
   A227       0.66119   0.00001   0.00063  -0.00027   0.00036   0.66155
   A228       0.70363   0.00001   0.00037  -0.00019   0.00020   0.70383
   A229       0.84644   0.00002   0.00269  -0.00062   0.00210   0.84855
   A230       0.75700   0.00002   0.00061  -0.00018   0.00043   0.75743
   A231       0.77564   0.00003   0.00379  -0.00076   0.00304   0.77868
   A232       1.59108  -0.00001  -0.00042   0.00130   0.00091   1.59200
   A233       1.85792   0.00005   0.00406  -0.00292   0.00112   1.85904
   A234       2.19036   0.00000  -0.00010   0.00008  -0.00003   2.19033
   A235       2.12945  -0.00001  -0.00027   0.00010  -0.00018   2.12927
   A236       1.96299   0.00001   0.00039  -0.00019   0.00021   1.96320
   A237       2.12313   0.00002   0.00030  -0.00035   0.00005   2.12318
   A238       2.12602   0.00003   0.00015   0.00001   0.00018   2.12620
   A239       2.03293  -0.00005  -0.00017   0.00015  -0.00008   2.03285
   A240       1.82586   0.00002   0.00420   0.00048   0.00467   1.83054
   A241       2.54835  -0.00003  -0.00446  -0.00050  -0.00492   2.54343
   A242       1.91402  -0.00001  -0.00034  -0.00002  -0.00042   1.91360
   A243       1.91662   0.00001   0.00031   0.00026   0.00068   1.91729
   A244       1.91700   0.00000  -0.00043   0.00000  -0.00038   1.91662
   A245       1.91003   0.00000  -0.00014  -0.00023  -0.00040   1.90963
   A246       1.90796   0.00001   0.00038  -0.00012   0.00026   1.90822
   A247       1.89809  -0.00001   0.00023   0.00011   0.00027   1.89836
   A248       1.28717   0.00002  -0.00145   0.00106  -0.00037   1.28680
   A249       1.90540  -0.00002  -0.00072  -0.00005  -0.00077   1.90463
   A250       1.90932  -0.00002  -0.00018  -0.00009  -0.00027   1.90905
   A251       1.92813  -0.00001  -0.00011   0.00014   0.00004   1.92817
   A252       1.91008   0.00005   0.00066  -0.00002   0.00064   1.91072
   A253       1.89756   0.00001   0.00042  -0.00008   0.00033   1.89789
   A254       1.91321   0.00000  -0.00006   0.00010   0.00004   1.91325
   A255       1.72207   0.00001   0.00150  -0.00019   0.00136   1.72343
   A256       1.76165   0.00000   0.00205  -0.00044   0.00156   1.76321
   A257       2.19154   0.00001  -0.00003  -0.00028  -0.00021   2.19134
   A258       2.12966   0.00000   0.00007   0.00020   0.00028   2.12994
   A259       1.96175  -0.00001  -0.00003   0.00008  -0.00006   1.96169
   A260       2.12624  -0.00003  -0.00084  -0.00001  -0.00090   2.12534
   A261       2.12390  -0.00001  -0.00072   0.00028  -0.00021   2.12369
   A262       2.03261   0.00004   0.00165  -0.00031   0.00118   2.03380
   A263       1.36849  -0.00004  -0.00701  -0.00002  -0.00705   1.36145
   A264       1.90086   0.00000   0.00025  -0.00022  -0.00001   1.90085
   A265       1.93016   0.00000   0.00051   0.00001   0.00054   1.93070
   A266       1.91002  -0.00001  -0.00046   0.00011  -0.00039   1.90963
   A267       1.89611   0.00000   0.00050  -0.00012   0.00041   1.89652
   A268       1.91538  -0.00002  -0.00110   0.00023  -0.00084   1.91454
   A269       1.91121   0.00003   0.00029  -0.00001   0.00029   1.91150
   A270       2.67688   0.00003  -0.00244   0.00075  -0.00164   2.67523
   A271       1.68570  -0.00002   0.00298  -0.00088   0.00205   1.68775
   A272       1.92534   0.00000  -0.00049   0.00004  -0.00042   1.92492
   A273       1.91182  -0.00001   0.00079  -0.00022   0.00058   1.91240
   A274       1.91504   0.00001  -0.00097   0.00018  -0.00084   1.91420
   A275       1.89278   0.00003   0.00123  -0.00023   0.00099   1.89376
   A276       1.91111  -0.00001  -0.00009   0.00001  -0.00008   1.91103
   A277       1.90753  -0.00003  -0.00044   0.00022  -0.00022   1.90732
   A278       1.81892  -0.00002  -0.00582   0.00136  -0.00448   1.81443
   A279       1.74361   0.00000   0.00493  -0.00133   0.00361   1.74722
   A280       2.18988   0.00000   0.00005   0.00011   0.00015   2.19004
   A281       2.13047   0.00001   0.00009  -0.00014  -0.00006   2.13042
   A282       1.96275  -0.00001  -0.00014   0.00002  -0.00010   1.96265
   A283       2.12241   0.00003   0.00048  -0.00001   0.00051   2.12291
   A284       2.11485   0.00003   0.00011   0.00021   0.00032   2.11516
   A285       2.04307  -0.00006  -0.00056  -0.00019  -0.00078   2.04229
   A286       2.71472  -0.00002  -0.00864   0.00252  -0.00610   2.70861
   A287       1.64320   0.00002   0.00942  -0.00266   0.00674   1.64994
   A288       1.92742   0.00001  -0.00063  -0.00006  -0.00058   1.92683
   A289       1.91488  -0.00001  -0.00012   0.00004  -0.00012   1.91477
   A290       1.91163  -0.00001   0.00033   0.00000   0.00028   1.91191
   A291       1.89124  -0.00002  -0.00013   0.00001  -0.00016   1.89108
   A292       1.91271   0.00000  -0.00012   0.00000  -0.00014   1.91258
   A293       1.90573   0.00003   0.00069   0.00000   0.00072   1.90645
   A294       1.35891  -0.00003  -0.00842   0.00216  -0.00627   1.35264
   A295       1.14940   0.00005   0.00473  -0.00133   0.00340   1.15279
   A296       1.93353   0.00000  -0.00008  -0.00003  -0.00013   1.93340
   A297       1.90761  -0.00005  -0.00025   0.00006  -0.00019   1.90741
   A298       1.90167   0.00006  -0.00013   0.00000  -0.00009   1.90158
   A299       1.90954   0.00001  -0.00019   0.00005  -0.00014   1.90940
   A300       1.89813  -0.00002   0.00041  -0.00009   0.00032   1.89845
   A301       1.91325   0.00000   0.00026   0.00001   0.00023   1.91349
   A302       1.64349  -0.00003  -0.00135  -0.00075  -0.00211   1.64138
   A303       1.80609   0.00001   0.00334   0.00074   0.00409   1.81018
   A304       2.18892  -0.00003   0.00024  -0.00017   0.00004   2.18896
   A305       2.13019   0.00001   0.00015  -0.00006   0.00011   2.13029
   A306       1.96371   0.00002  -0.00038   0.00023  -0.00012   1.96358
   A307       2.12525   0.00001  -0.00016   0.00016  -0.00001   2.12523
   A308       2.12500  -0.00004  -0.00097   0.00009  -0.00091   2.12409
   A309       2.02938   0.00003   0.00109  -0.00018   0.00095   2.03032
   A310       1.30252   0.00005  -0.00096   0.00048  -0.00049   1.30203
   A311       3.04584   0.00003   0.00224  -0.00066   0.00160   3.04744
   A312       1.91167   0.00003   0.00017   0.00006   0.00024   1.91192
   A313       1.92962   0.00000   0.00013  -0.00054  -0.00032   1.92930
   A314       1.90059   0.00002   0.00133  -0.00021   0.00104   1.90163
   A315       1.91311  -0.00008  -0.00187   0.00053  -0.00137   1.91174
   A316       1.91257   0.00001  -0.00061   0.00031  -0.00026   1.91231
   A317       1.89611   0.00002   0.00086  -0.00014   0.00068   1.89679
   A318       1.77541  -0.00005   0.00797  -0.00147   0.00650   1.78192
   A319       1.91657   0.00000  -0.00060   0.00008  -0.00049   1.91607
   A320       1.91285  -0.00001   0.00070  -0.00018   0.00052   1.91337
   A321       1.92109  -0.00001  -0.00024   0.00000  -0.00024   1.92085
   A322       1.90854  -0.00005  -0.00106   0.00006  -0.00102   1.90752
   A323       1.90939   0.00005   0.00088  -0.00005   0.00082   1.91021
   A324       1.89520   0.00002   0.00033   0.00009   0.00042   1.89563
   A325       2.93276  -0.00001   0.00190  -0.00015   0.00191   2.93467
   A326       3.37311  -0.00001  -0.00473   0.00298  -0.00173   3.37137
   A327       3.08975  -0.00001  -0.00384   0.00276  -0.00110   3.08865
   A328       3.20038   0.00002  -0.00151   0.00116  -0.00033   3.20005
   A329       3.27971  -0.00001  -0.00672  -0.00003  -0.00676   3.27295
   A330       3.26846  -0.00002  -0.00861   0.00221  -0.00642   3.26204
   A331       3.68481   0.00000   0.00885  -0.00152   0.00733   3.69213
   A332       3.23994   0.00002  -0.00909   0.00344  -0.00556   3.23439
   A333       2.95447   0.00001   0.01264  -0.00278   0.00994   2.96441
   A334       2.89349   0.00002   0.00969  -0.00200   0.00774   2.90124
   A335       3.22933  -0.00001  -0.00053   0.00043  -0.00010   3.22923
   A336       3.07497   0.00000   0.00105  -0.00011   0.00096   3.07592
   A337       3.10296   0.00002   0.00127  -0.00044   0.00083   3.10378
   A338       3.05009   0.00000  -0.00285   0.00113  -0.00173   3.04837
    D1        2.75842   0.00000  -0.00001  -0.00004  -0.00009   2.75833
    D2       -1.36106   0.00000   0.00045  -0.00010   0.00031  -1.36075
    D3        2.77938   0.00000   0.00179   0.00025   0.00202   2.78140
    D4       -1.34010   0.00000   0.00224   0.00019   0.00242  -1.33768
    D5        1.66111   0.00000   0.00017  -0.00046  -0.00030   1.66080
    D6       -2.45838   0.00000   0.00063  -0.00052   0.00010  -2.45828
    D7        1.84074   0.00002   0.00090  -0.00079   0.00008   1.84083
    D8       -2.27874   0.00002   0.00136  -0.00085   0.00049  -2.27825
    D9        0.28005   0.00000   0.01817  -0.00528   0.01324   0.29328
   D10        2.44375   0.00000   0.01863  -0.00534   0.01364   2.45739
   D11        0.00629  -0.00001   0.01226  -0.00348   0.00882   0.01511
   D12        2.16999  -0.00001   0.01272  -0.00354   0.00922   2.17921
   D13       -0.46057  -0.00001   0.01088  -0.00319   0.00758  -0.45298
   D14        1.70314  -0.00001   0.01134  -0.00325   0.00798   1.71112
   D15       -0.57296  -0.00002   0.00607  -0.00146   0.00454  -0.56843
   D16        1.59074  -0.00002   0.00653  -0.00152   0.00494   1.59568
   D17        0.19933   0.00001   0.00547  -0.00160   0.00391   0.20324
   D18        2.36304   0.00001   0.00593  -0.00166   0.00431   2.36734
   D19        0.13835   0.00001   0.00252  -0.00082   0.00171   0.14006
   D20        2.30206   0.00001   0.00298  -0.00088   0.00211   2.30417
   D21        2.39294   0.00000   0.00083  -0.00109  -0.00027   2.39266
   D22       -1.72655   0.00000   0.00129  -0.00115   0.00013  -1.72642
   D23        2.15439   0.00000  -0.00215  -0.00038  -0.00256   2.15183
   D24       -1.96509   0.00000  -0.00170  -0.00044  -0.00216  -1.96725
   D25        1.70726   0.00000   0.00064  -0.00105  -0.00043   1.70684
   D26       -2.41222   0.00000   0.00110  -0.00110  -0.00003  -2.41224
   D27        1.39925   0.00000   0.00140  -0.00118   0.00021   1.39946
   D28       -2.72023   0.00000   0.00185  -0.00124   0.00061  -2.71962
   D29        2.37496  -0.00002  -0.00810   0.00082  -0.00727   2.36768
   D30       -1.74452  -0.00002  -0.00764   0.00076  -0.00687  -1.75140
   D31       -1.74125   0.00000  -0.00657   0.00124  -0.00537  -1.74662
   D32        0.42245   0.00000  -0.00611   0.00118  -0.00497   0.41748
   D33       -2.09136  -0.00001  -0.00671   0.00121  -0.00553  -2.09689
   D34        0.07234  -0.00001  -0.00625   0.00115  -0.00513   0.06722
   D35       -2.46723   0.00000  -0.00636   0.00121  -0.00520  -2.47243
   D36       -0.30353   0.00000  -0.00590   0.00115  -0.00480  -0.30833
   D37       -2.75514  -0.00001  -0.00717   0.00118  -0.00603  -2.76117
   D38       -0.59144  -0.00001  -0.00671   0.00112  -0.00563  -0.59707
   D39       -2.11610   0.00000  -0.00718   0.00115  -0.00601  -2.12211
   D40        0.04760   0.00000  -0.00672   0.00109  -0.00561   0.04199
   D41       -2.35964   0.00000  -0.00505   0.00039  -0.00463  -2.36427
   D42       -0.19594   0.00000  -0.00459   0.00033  -0.00423  -0.20016
   D43        1.26632   0.00000  -0.00274  -0.00007  -0.00282   1.26349
   D44       -1.93475   0.00001   0.00209  -0.00437  -0.00229  -1.93704
   D45        2.45880   0.00001  -0.00227  -0.00069  -0.00299   2.45581
   D46       -0.74226   0.00001   0.00256  -0.00499  -0.00246  -0.74472
   D47        2.94321   0.00001  -0.00172  -0.00113  -0.00288   2.94033
   D48       -0.25786   0.00001   0.00311  -0.00542  -0.00234  -0.26020
   D49        2.88081   0.00002  -0.01085   0.00317  -0.00798   2.87283
   D50       -0.32026   0.00002  -0.00602  -0.00112  -0.00744  -0.32770
   D51        2.02196  -0.00001   0.00995  -0.00331   0.00731   2.02926
   D52       -1.17911  -0.00001   0.01478  -0.00760   0.00784  -1.17127
   D53        1.11457  -0.00003   0.01825  -0.00619   0.01169   1.12626
   D54       -2.08649  -0.00002   0.02308  -0.01048   0.01223  -2.07427
   D55        1.00111  -0.00002   0.00489  -0.00186   0.00289   1.00400
   D56       -2.19996  -0.00002   0.00972  -0.00615   0.00343  -2.19653
   D57        2.02031   0.00001  -0.00146  -0.00024  -0.00161   2.01870
   D58       -1.18076   0.00001   0.00336  -0.00454  -0.00108  -1.18183
   D59        1.82850   0.00002  -0.00309   0.00007  -0.00297   1.82553
   D60       -1.37256   0.00002   0.00174  -0.00422  -0.00244  -1.37500
   D61       -2.28180   0.00000  -0.00208  -0.00122  -0.00329  -2.28509
   D62        0.80032   0.00001   0.00275  -0.00552  -0.00275   0.79757
   D63       -2.40879   0.00000  -0.00575  -0.00013  -0.00587  -2.41465
   D64        0.67333   0.00000  -0.00092  -0.00443  -0.00533   0.66800
   D65       -2.81126   0.00000  -0.00563  -0.00011  -0.00572  -2.81699
   D66        0.27086   0.00000  -0.00080  -0.00441  -0.00519   0.26567
   D67       -2.98186   0.00001  -0.00864   0.00090  -0.00772  -2.98958
   D68        0.10026   0.00001  -0.00381  -0.00339  -0.00718   0.09308
   D69       -2.12649  -0.00001  -0.00831   0.00055  -0.00771  -2.13420
   D70        0.95563  -0.00001  -0.00348  -0.00374  -0.00717   0.94846
   D71       -0.14385   0.00000  -0.01164   0.00052  -0.01112  -0.15496
   D72        2.93827   0.00000  -0.00681  -0.00377  -0.01058   2.92769
   D73       -0.54278  -0.00001  -0.01144   0.00048  -0.01095  -0.55373
   D74        2.53934  -0.00001  -0.00661  -0.00381  -0.01042   2.52892
   D75       -0.71114   0.00000  -0.01135   0.00079  -0.01055  -0.72169
   D76        2.37098   0.00000  -0.00652  -0.00350  -0.01002   2.36096
   D77       -1.04940   0.00000  -0.01135   0.00093  -0.01044  -1.05983
   D78        2.03272   0.00000  -0.00652  -0.00337  -0.00990   2.02282
   D79       -0.82730  -0.00001  -0.01131   0.00023  -0.01107  -0.83837
   D80        2.25481  -0.00001  -0.00648  -0.00407  -0.01053   2.24428
   D81       -1.13117  -0.00001  -0.01041  -0.00002  -0.01043  -1.14160
   D82        1.95095  -0.00001  -0.00558  -0.00431  -0.00989   1.94106
   D83       -1.53172   0.00000  -0.00056   0.00055   0.00000  -1.53172
   D84       -2.60915   0.00001   0.00020   0.00009   0.00024  -2.60891
   D85       -2.94845   0.00001   0.00149   0.00055   0.00196  -2.94649
   D86        0.73158   0.00001   0.00112   0.00035   0.00162   0.73319
   D87        0.30354   0.00000   0.00335  -0.00016   0.00329   0.30683
   D88       -0.08667  -0.00001   0.01058  -0.00220   0.00847  -0.07820
   D89       -0.41874  -0.00001   0.00762  -0.00116   0.00640  -0.41233
   D90        0.18602   0.00001  -0.00195   0.00131  -0.00061   0.18541
   D91       -0.04915   0.00001  -0.00369   0.00177  -0.00191  -0.05106
   D92        2.39656   0.00001   0.00069  -0.00014   0.00055   2.39711
   D93        2.05282   0.00001  -0.00146   0.00041  -0.00106   2.05176
   D94        1.65536   0.00000   0.00013  -0.00007   0.00004   1.65539
   D95        1.37158   0.00000  -0.00130   0.00036  -0.00092   1.37066
   D96        2.06348  -0.00001  -0.00493   0.00122  -0.00371   2.05977
   D97       -1.87751   0.00000  -0.01093   0.00253  -0.00839  -1.88590
   D98       -2.41611  -0.00002  -0.01232   0.00196  -0.01038  -2.42649
   D99       -2.63796   0.00000  -0.00903   0.00157  -0.00748  -2.64544
   D100      -2.96838   0.00000  -0.00844   0.00141  -0.00708  -2.97546
   D101      -2.88215  -0.00003  -0.01637   0.00129  -0.01514  -2.89729
   D102       2.86261  -0.00003  -0.01465   0.00067  -0.01404   2.84857
   D103      -2.86048   0.00000  -0.02019   0.00616  -0.01436  -2.87485
   D104       1.23842   0.00000  -0.02145   0.00615  -0.01564   1.22278
   D105       2.83642   0.00001  -0.01261   0.00392  -0.00900   2.82741
   D106       0.65214   0.00001  -0.01387   0.00391  -0.01027   0.64186
   D107       2.31088  -0.00001   0.00023  -0.00071  -0.00012   2.31076
   D108       0.12660  -0.00001  -0.00104  -0.00072  -0.00139   0.12521
   D109       1.72318  -0.00001   0.01220  -0.00459   0.00832   1.73149
   D110      -0.46111  -0.00001   0.01094  -0.00460   0.00705  -0.45406
   D111       2.60624  -0.00001  -0.00794   0.00274  -0.00523   2.60101
   D112       0.42196  -0.00001  -0.00920   0.00273  -0.00650   0.41545
   D113       2.26526  -0.00001  -0.00601   0.00233  -0.00361   2.26164
   D114       0.08097  -0.00001  -0.00728   0.00232  -0.00489   0.07609
   D115      -1.61318   0.00000   0.00145   0.00023   0.00153  -1.61165
   D116       2.48573   0.00000   0.00019   0.00022   0.00026   2.48598
   D117      -1.77013   0.00001  -0.00017   0.00011  -0.00017  -1.77030
   D118       2.32877   0.00001  -0.00143   0.00010  -0.00144   2.32733
   D119      -2.73512  -0.00002  -0.00010   0.00037   0.00031  -2.73481
   D120       1.36378  -0.00002  -0.00136   0.00036  -0.00096   1.36282
   D121      -2.69309  -0.00002  -0.00183   0.00093  -0.00084  -2.69392
   D122       1.40582  -0.00002  -0.00309   0.00092  -0.00211   1.40371
   D123       1.33725   0.00000  -0.00345   0.00203  -0.00139   1.33587
   D124      -0.84703   0.00000  -0.00472   0.00202  -0.00266  -0.84969
   D125       1.31167   0.00001  -0.00575   0.00279  -0.00290   1.30877
   D126      -0.87261   0.00000  -0.00701   0.00278  -0.00417  -0.87678
   D127       1.67100   0.00001  -0.00753   0.00336  -0.00409   1.66692
   D128      -0.51328   0.00000  -0.00879   0.00335  -0.00536  -0.51864
   D129       1.79279   0.00000  -0.00610   0.00300  -0.00304   1.78975
   D130      -0.39150   0.00000  -0.00736   0.00299  -0.00431  -0.39581
   D131       0.91470   0.00001  -0.00783   0.00339  -0.00438   0.91032
   D132      -1.26958   0.00001  -0.00910   0.00338  -0.00565  -1.27523
   D133      -0.95209   0.00001   0.00040   0.00228   0.00280  -0.94929
   D134      -3.13637   0.00001  -0.00086   0.00227   0.00153  -3.13484
   D135      -0.53065   0.00002   0.00260   0.00148   0.00405  -0.52660
   D136      -2.71493   0.00001   0.00134   0.00147   0.00278  -2.71215
   D137      -0.25244   0.00001   0.00863  -0.00032   0.00803  -0.24441
   D138      -2.43672   0.00001   0.00736  -0.00032   0.00676  -2.42996
   D139       0.14936   0.00001   0.01092  -0.00146   0.00922   0.15858
   D140      -2.03492   0.00000   0.00966  -0.00146   0.00795  -2.02697
   D141      -0.30705   0.00001   0.00067   0.00176   0.00239  -0.30466
   D142      -2.49133   0.00001  -0.00060   0.00175   0.00112  -2.49022
   D143      -0.05106   0.00001  -0.00271   0.00246  -0.00027  -0.05132
   D144      -2.23534   0.00001  -0.00397   0.00245  -0.00154  -2.23688
   D145      -2.44198   0.00000  -0.01716   0.00554  -0.01151  -2.45349
   D146      -2.68035   0.00002  -0.02190   0.00667  -0.01515  -2.69551
   D147      -2.33823   0.00002  -0.03147   0.00974  -0.02134  -2.35956
   D148       3.04143   0.00000  -0.01932   0.00607  -0.01332   3.02811
   D149       2.65757   0.00001  -0.01891   0.00600  -0.01305   2.64452
   D150       1.50906  -0.00001   0.00263   0.00009   0.00257   1.51163
   D151       2.61249  -0.00001   0.00136   0.00032   0.00179   2.61428
   D152       2.99129  -0.00002  -0.00023   0.00074   0.00063   2.99192
   D153       1.19244  -0.00002  -0.00332   0.00264  -0.00061   1.19183
   D154       1.25522  -0.00001  -0.00458   0.00285  -0.00169   1.25353
   D155       1.65021  -0.00001  -0.00680   0.00333  -0.00348   1.64674
   D156       1.72005  -0.00001  -0.00417   0.00247  -0.00173   1.71832
   D157       0.90443   0.00000  -0.00477   0.00294  -0.00179   0.90263
   D158      -0.97930   0.00000  -0.00490   0.00440  -0.00050  -0.97980
   D159      -0.65471   0.00000  -0.00496   0.00440  -0.00063  -0.65535
   D160      -0.70010   0.00000  -0.00298   0.00383   0.00073  -0.69937
   D161      -0.39945  -0.00001   0.00056   0.00277   0.00315  -0.39630
   D162      -0.27207   0.00001  -0.00637   0.00471  -0.00175  -0.27381
   D163       0.00484   0.00002  -0.00559   0.00446  -0.00116   0.00369
   D164      -1.25142  -0.00001  -0.01800   0.00495  -0.01308  -1.26450
   D165       1.68943   0.00000  -0.01278   0.00355  -0.00926   1.68017
   D166      -1.62285   0.00000  -0.01747   0.00471  -0.01279  -1.63563
   D167       1.31801   0.00001  -0.01224   0.00330  -0.00897   1.30904
   D168      -1.69997  -0.00001  -0.01776   0.00463  -0.01322  -1.71319
   D169       1.24088   0.00000  -0.01254   0.00323  -0.00940   1.23148
   D170      -1.96588   0.00000  -0.01340   0.00392  -0.00951  -1.97539
   D171       0.97497   0.00001  -0.00817   0.00251  -0.00569   0.96928
   D172      -1.97385  -0.00001  -0.01709   0.00474  -0.01234  -1.98618
   D173       0.96701   0.00000  -0.01186   0.00333  -0.00852   0.95849
   D174      -2.27765   0.00000  -0.01645   0.00459  -0.01184  -2.28949
   D175       0.66321   0.00001  -0.01123   0.00318  -0.00803   0.65518
   D176       1.97855  -0.00002  -0.00274   0.00065  -0.00213   1.97642
   D177      -1.36378  -0.00002   0.00249  -0.00076   0.00169  -1.36209
   D178       0.83286  -0.00001  -0.00244   0.00072  -0.00172   0.83114
   D179      -2.50947  -0.00001   0.00278  -0.00068   0.00210  -2.50737
   D180       0.37140   0.00000  -0.00329   0.00065  -0.00267   0.36873
   D181      -2.97093   0.00000   0.00194  -0.00076   0.00115  -2.96978
   D182      -3.09082   0.00000  -0.00980   0.00294  -0.00686  -3.09768
   D183      -0.14996   0.00001  -0.00457   0.00153  -0.00305  -0.15301
   D184       2.92843   0.00000  -0.01054   0.00333  -0.00724   2.92119
   D185      -0.41390   0.00001  -0.00531   0.00192  -0.00342  -0.41732
   D186       3.08455  -0.00001  -0.01219   0.00378  -0.00848   3.07607
   D187      -0.25778   0.00000  -0.00697   0.00237  -0.00466  -0.26244
   D188       2.98567  -0.00001  -0.01013   0.00310  -0.00712   2.97855
   D189      -0.35666  -0.00001  -0.00490   0.00169  -0.00330  -0.35996
   D190       2.48305   0.00000  -0.01088   0.00353  -0.00738   2.47567
   D191      -0.85928   0.00000  -0.00565   0.00212  -0.00356  -0.86285
   D192       0.36687   0.00000  -0.01338   0.00615  -0.00714   0.35973
   D193      -2.97546   0.00001  -0.00815   0.00474  -0.00332  -2.97878
   D194       0.67237   0.00001  -0.01252   0.00643  -0.00603   0.66634
   D195      -2.66996   0.00001  -0.00729   0.00503  -0.00221  -2.67217
   D196       0.48872   0.00000  -0.01872   0.00962  -0.00874   0.47999
   D197      -2.85361   0.00001  -0.01349   0.00822  -0.00492  -2.85853
   D198       1.12573   0.00001  -0.00906   0.00494  -0.00418   1.12155
   D199      -2.21660   0.00002  -0.00383   0.00353  -0.00036  -2.21696
   D200       1.45197   0.00001  -0.00833   0.00438  -0.00400   1.44796
   D201      -1.89037   0.00002  -0.00310   0.00297  -0.00018  -1.89055
   D202       1.59790   0.00000   0.00684  -0.00167   0.00514   1.60304
   D203      -0.61664   0.00000   0.00693  -0.00148   0.00543  -0.61121
   D204       1.66611   0.00000   0.00680  -0.00180   0.00499   1.67110
   D205      -0.54842   0.00000   0.00689  -0.00160   0.00527  -0.54315
   D206       1.34241   0.00000   0.00759  -0.00254   0.00503   1.34744
   D207      -0.87213   0.00000   0.00768  -0.00234   0.00532  -0.86681
   D208       1.17779   0.00000   0.00625  -0.00319   0.00300   1.18079
   D209      -1.03675   0.00000   0.00634  -0.00299   0.00329  -1.03346
   D210       2.09565   0.00000   0.00710  -0.00196   0.00513   2.10078
   D211      -0.11889   0.00000   0.00719  -0.00176   0.00541  -0.11347
   D212       2.21083  -0.00002   0.00691  -0.00195   0.00495   2.21577
   D213      -0.00371  -0.00002   0.00700  -0.00176   0.00523   0.00152
   D214      -2.21239   0.00001  -0.00854   0.00245  -0.00601  -2.21840
   D215       1.85626   0.00001  -0.00845   0.00265  -0.00572   1.85053
   D216      -2.38470   0.00000  -0.00621   0.00160  -0.00460  -2.38930
   D217       1.68395   0.00000  -0.00611   0.00179  -0.00431   1.67964
   D218      -2.00078   0.00002  -0.00495   0.00082  -0.00418  -2.00496
   D219       2.06787   0.00002  -0.00486   0.00102  -0.00389   2.06398
   D220      -2.12149   0.00004  -0.00163  -0.00238  -0.00395  -2.12544
   D221       1.94716   0.00004  -0.00154  -0.00218  -0.00367   1.94349
   D222      -2.88036  -0.00001  -0.00498   0.00149  -0.00355  -2.88391
   D223       1.18829  -0.00001  -0.00489   0.00168  -0.00327   1.18503
   D224       3.06558  -0.00001  -0.00393   0.00140  -0.00259   3.06300
   D225       0.85105  -0.00001  -0.00384   0.00160  -0.00230   0.84875
   D226      -2.71178   0.00000  -0.00112   0.00013  -0.00096  -2.71274
   D227       1.35687   0.00000  -0.00103   0.00032  -0.00067   1.35620
   D228      -2.64893   0.00001  -0.00453   0.00121  -0.00326  -2.65219
   D229       1.41972   0.00001  -0.00443   0.00141  -0.00297   1.41675
   D230      -1.56185  -0.00002  -0.00221   0.00026  -0.00194  -1.56379
   D231       2.50680  -0.00002  -0.00212   0.00045  -0.00165   2.50515
   D232      -0.09007   0.00000   0.00246  -0.00303  -0.00057  -0.09064
   D233      -2.30460  -0.00001   0.00255  -0.00284  -0.00028  -2.30489
   D234      -0.22159   0.00000   0.00290  -0.00278   0.00013  -0.22146
   D235      -2.43613   0.00000   0.00299  -0.00258   0.00042  -2.43571
   D236       0.06107   0.00000   0.00311  -0.00262   0.00052   0.06159
   D237      -2.15346   0.00000   0.00321  -0.00242   0.00080  -2.15266
   D238      -0.04148   0.00001   0.00340  -0.00245   0.00095  -0.04053
   D239      -2.25601   0.00001   0.00349  -0.00225   0.00123  -2.25478
   D240      -0.61151  -0.00001   0.00281  -0.00257   0.00027  -0.61124
   D241      -2.82604  -0.00001   0.00290  -0.00237   0.00056  -2.82549
   D242      -0.79513  -0.00002  -0.00043  -0.00178  -0.00220  -0.79733
   D243      -3.00966  -0.00002  -0.00033  -0.00159  -0.00191  -3.01158
   D244      -2.93582   0.00000   0.00110  -0.00061   0.00046  -2.93536
   D245      -0.03389   0.00000   0.00942  -0.00256   0.00683  -0.02706
   D246      -3.12874   0.00000   0.00131  -0.00080   0.00048  -3.12825
   D247      -0.22681   0.00000   0.00963  -0.00275   0.00686  -0.21995
   D248       2.76837   0.00000   0.00205  -0.00139   0.00062   2.76898
   D249      -0.61289   0.00000   0.01037  -0.00333   0.00699  -0.60590
   D250       2.53299   0.00000   0.00094  -0.00151  -0.00064   2.53235
   D251      -0.84827   0.00000   0.00926  -0.00346   0.00573  -0.84254
   D252      -2.90321  -0.00001   0.00149  -0.00104   0.00041  -2.90280
   D253      -0.00128  -0.00001   0.00981  -0.00298   0.00679   0.00550
   D254      -3.07648  -0.00002   0.00032  -0.00076  -0.00047  -3.07695
   D255      -0.17456  -0.00002   0.00864  -0.00271   0.00591  -0.16865
   D256      -0.63469   0.00001  -0.00994   0.00262  -0.00723  -0.64192
   D257       2.26724   0.00001  -0.00162   0.00067  -0.00085   2.26639
   D258      -0.88818   0.00000  -0.00741   0.00169  -0.00573  -0.89391
   D259       2.01374   0.00000   0.00091  -0.00025   0.00065   2.01439
   D260      -0.73355   0.00001  -0.00356   0.00041  -0.00318  -0.73673
   D261       2.16837   0.00001   0.00476  -0.00153   0.00320   2.17157
   D262      -0.94046   0.00001  -0.00156  -0.00079  -0.00238  -0.94284
   D263       1.96147   0.00001   0.00676  -0.00273   0.00399   1.96546
   D264      -1.29656   0.00000  -0.00763   0.00174  -0.00598  -1.30254
   D265       1.60536   0.00000   0.00069  -0.00021   0.00040   1.60576
   D266      -1.53723  -0.00001  -0.00672   0.00145  -0.00534  -1.54257
   D267       1.36469  -0.00001   0.00160  -0.00049   0.00104   1.36573
   D268       1.98554   0.00000  -0.00421   0.00064  -0.00358   1.98196
   D269      -1.39572   0.00001   0.00411  -0.00131   0.00279  -1.39292
   D270       0.86894  -0.00002  -0.00599   0.00099  -0.00501   0.86393
   D271      -2.51231  -0.00001   0.00234  -0.00096   0.00137  -2.51095
   D272       0.89837  -0.00001   0.01287  -0.00681   0.00623   0.90460
   D273      -2.48289  -0.00001   0.02119  -0.00875   0.01261  -2.47029
   D274       1.09710   0.00000   0.00575  -0.00399   0.00182   1.09892
   D275      -2.28416   0.00001   0.01407  -0.00593   0.00820  -2.27596
   D276       1.56714   0.00000   0.00278  -0.00303  -0.00018   1.56696
   D277      -1.81412   0.00000   0.01110  -0.00497   0.00619  -1.80793
   D278       1.55694   0.00001   0.00216  -0.00227  -0.00009   1.55685
   D279      -1.82432   0.00001   0.01048  -0.00422   0.00629  -1.81803
   D280       0.79511  -0.00001   0.00375  -0.00272   0.00105   0.79616
   D281      -2.58615  -0.00001   0.01208  -0.00466   0.00743  -2.57872
   D282       0.77714  -0.00002  -0.00158  -0.00137  -0.00295   0.77419
   D283      -2.60412  -0.00002   0.00674  -0.00332   0.00343  -2.60069
   D284       1.55177   0.00002   0.01689  -0.00369   0.01317   1.56494
   D285      -2.66811   0.00002   0.02012  -0.00439   0.01571  -2.65240
   D286       1.61843   0.00001   0.01295  -0.00301   0.00993   1.62836
   D287      -2.60145   0.00001   0.01618  -0.00370   0.01247  -2.58898
   D288       1.30810   0.00001   0.01214  -0.00329   0.00883   1.31693
   D289      -2.91178   0.00001   0.01538  -0.00399   0.01137  -2.90041
   D290       1.22321   0.00000   0.00939  -0.00338   0.00597   1.22918
   D291      -2.99667   0.00000   0.01262  -0.00407   0.00851  -2.98816
   D292       2.01714   0.00000   0.01145  -0.00284   0.00861   2.02576
   D293      -2.20274   0.00000   0.01468  -0.00354   0.01116  -2.19158
   D294       2.00206  -0.00002   0.00944  -0.00237   0.00708   2.00914
   D295      -2.21782  -0.00002   0.01268  -0.00307   0.00962  -2.20820
   D296      -2.28476   0.00002  -0.00495   0.00171  -0.00319  -2.28794
   D297      -0.22145   0.00002  -0.00172   0.00101  -0.00065  -0.22210
   D298      -2.26668   0.00001  -0.00186   0.00051  -0.00134  -2.26801
   D299      -0.20337   0.00001   0.00138  -0.00019   0.00120  -0.20217
   D300      -1.88207   0.00002  -0.00014  -0.00007  -0.00023  -1.88230
   D301       0.18123   0.00002   0.00309  -0.00076   0.00232   0.18355
   D302      -1.82147   0.00002   0.00095  -0.00120  -0.00029  -1.82176
   D303       0.24183   0.00002   0.00418  -0.00189   0.00225   0.24408
   D304      -2.61741   0.00000   0.00012  -0.00014  -0.00004  -2.61745
   D305      -0.55410   0.00000   0.00335  -0.00083   0.00250  -0.55161
   D306      -2.74363  -0.00001   0.00121  -0.00049   0.00071  -2.74291
   D307      -0.68032  -0.00001   0.00444  -0.00118   0.00325  -0.67707
   D308       1.52420  -0.00001   0.00320  -0.00077   0.00244   1.52664
   D309      -2.69568  -0.00001   0.00644  -0.00146   0.00498  -2.69070
   D310       2.62596  -0.00001   0.00240  -0.00052   0.00189   2.62784
   D311      -1.59392  -0.00001   0.00563  -0.00122   0.00443  -1.58949
   D312       3.01450   0.00000  -0.00003   0.00030   0.00025   3.01475
   D313      -1.20538   0.00000   0.00320  -0.00039   0.00280  -1.20259
   D314      -0.50073   0.00000   0.01219  -0.00447   0.00773  -0.49300
   D315       1.56258   0.00000   0.01542  -0.00516   0.01027   1.57284
   D316      -0.34107   0.00001   0.01217  -0.00436   0.00783  -0.33324
   D317       1.72224   0.00001   0.01540  -0.00505   0.01037   1.73261
   D318       0.08606   0.00001   0.01240  -0.00436   0.00807   0.09413
   D319       2.14936   0.00001   0.01563  -0.00506   0.01061   2.15998
   D320       0.21892   0.00002   0.01337  -0.00430   0.00910   0.22802
   D321       2.28223   0.00002   0.01660  -0.00499   0.01164   2.29387
   D322      -0.58793   0.00000   0.01180  -0.00416   0.00765  -0.58028
   D323       1.47538   0.00000   0.01503  -0.00486   0.01019   1.48557
   D324      -0.62704  -0.00001   0.00758  -0.00342   0.00416  -0.62288
   D325       1.43626  -0.00001   0.01081  -0.00412   0.00670   1.44297
   D326       0.09230   0.00000   0.00045  -0.00008   0.00031   0.09261
   D327       2.26306   0.00001   0.00100  -0.00020   0.00073   2.26378
   D328       0.39325  -0.00001   0.00248  -0.00043   0.00201   0.39526
   D329       2.56401   0.00000   0.00303  -0.00055   0.00243   2.56644
   D330       0.76399  -0.00001   0.00072   0.00034   0.00105   0.76505
   D331       2.93475   0.00000   0.00127   0.00021   0.00148   2.93623
   D332       1.04424  -0.00001   0.00061   0.00044   0.00109   1.04534
   D333      -3.06819   0.00000   0.00116   0.00031   0.00151  -3.06667
   D334       0.31971   0.00000   0.00699  -0.00132   0.00562   0.32533
   D335       2.49046   0.00001   0.00754  -0.00145   0.00604   2.49650
   D336       0.70522   0.00001   0.01141  -0.00160   0.00984   0.71506
   D337       2.87597   0.00002   0.01196  -0.00172   0.01027   2.88624
   D338      -2.32463  -0.00001   0.00248  -0.00146   0.00103  -2.32360
   D339      -0.15388  -0.00001   0.00304  -0.00158   0.00145  -0.15243
   D340      -1.94961   0.00000   0.00314  -0.00145   0.00171  -1.94790
   D341       0.22114   0.00000   0.00369  -0.00157   0.00213   0.22328
   D342      -1.89435  -0.00001   0.00020   0.00030   0.00054  -1.89381
   D343       0.27640   0.00000   0.00075   0.00017   0.00096   0.27737
   D344      -1.59110   0.00000  -0.00140   0.00140  -0.00001  -1.59111
   D345       0.57965   0.00001  -0.00085   0.00127   0.00041   0.58006
   D346      -1.58768  -0.00001   0.00609  -0.00275   0.00333  -1.58435
   D347       0.58307   0.00000   0.00664  -0.00288   0.00375   0.58682
   D348      -1.28762   0.00000   0.00653  -0.00266   0.00387  -1.28376
   D349       0.88313   0.00000   0.00709  -0.00279   0.00429   0.88742
   D350       1.86526  -0.00001   0.00140   0.00089   0.00229   1.86755
   D351      -2.24717   0.00000   0.00195   0.00077   0.00271  -2.24446
   D352       2.31106  -0.00001  -0.00183   0.00194   0.00006   2.31112
   D353      -1.80137   0.00000  -0.00128   0.00181   0.00048  -1.80089
   D354       2.59993   0.00001  -0.01193   0.00581  -0.00630   2.59362
   D355      -1.51250   0.00001  -0.01138   0.00568  -0.00588  -1.51839
   D356      -3.04722   0.00000  -0.01524   0.00451  -0.01033  -3.05755
   D357      -0.87646   0.00001  -0.01469   0.00438  -0.00991  -0.88638
   D358       2.62051   0.00001   0.00115   0.00036   0.00150   2.62201
   D359      -1.49192   0.00002   0.00170   0.00023   0.00192  -1.49000
   D360       1.63895  -0.00001   0.00065   0.00020   0.00080   1.63975
   D361      -2.47348   0.00000   0.00120   0.00007   0.00122  -2.47226
   D362       1.81384  -0.00002   0.00062   0.00022   0.00083   1.81467
   D363      -2.29859  -0.00001   0.00117   0.00010   0.00126  -2.29734
   D364       2.74920   0.00000   0.00163  -0.00009   0.00153   2.75073
   D365      -1.36323   0.00001   0.00218  -0.00022   0.00195  -1.36128
   D366       2.74512   0.00001   0.00557  -0.00070   0.00486   2.74998
   D367      -1.36732   0.00002   0.00612  -0.00083   0.00528  -1.36203
   D368       0.05902   0.00000   0.00363   0.00025   0.00382   0.06284
   D369      -2.40485   0.00001   0.02240  -0.00797   0.01436  -2.39049
   D370       0.45900  -0.00001   0.00318   0.00038   0.00352   0.46252
   D371      -2.00488  -0.00001   0.02195  -0.00784   0.01407  -1.99081
   D372       0.67655  -0.00001   0.00016   0.00094   0.00109   0.67764
   D373      -1.78733   0.00000   0.01893  -0.00728   0.01163  -1.77569
   D374       0.94984  -0.00001  -0.00179   0.00085  -0.00090   0.94894
   D375      -1.51403  -0.00001   0.01698  -0.00737   0.00964  -1.50439
   D376       0.69590   0.00000   0.00632  -0.00005   0.00626   0.70216
   D377      -1.76797   0.00001   0.02508  -0.00827   0.01680  -1.75117
   D378       1.03812   0.00000   0.00573   0.00012   0.00585   1.04397
   D379      -1.42576   0.00000   0.02449  -0.00810   0.01639  -1.40937
   D380      -2.71719  -0.00001  -0.01188   0.00332  -0.00821  -2.72540
   D381       1.10212   0.00000   0.00688  -0.00490   0.00233   1.10446
   D382      -2.18341   0.00000  -0.00552   0.00061  -0.00473  -2.18814
   D383       1.63590   0.00000   0.01325  -0.00761   0.00582   1.64172
   D384      -1.94714   0.00000  -0.00489   0.00149  -0.00329  -1.95043
   D385       1.87217   0.00000   0.01387  -0.00673   0.00725   1.87942
   D386      -1.62150   0.00000  -0.00310   0.00143  -0.00161  -1.62310
   D387       2.19782   0.00000   0.01566  -0.00679   0.00893   2.20675
   D388      -1.70734  -0.00001   0.00796  -0.00503   0.00260  -1.70474
   D389       2.11197   0.00000   0.02672  -0.01325   0.01315   2.12512
   D390      -1.14719   0.00001   0.01479  -0.00568   0.00894  -1.13825
   D391       2.67212   0.00001   0.03355  -0.01391   0.01948   2.69160
   D392       1.79833  -0.00001   0.00162   0.00035   0.00197   1.80030
   D393      -0.66554   0.00000   0.02038  -0.00787   0.01252  -0.65303
   D394       2.10390  -0.00001   0.00032   0.00103   0.00135   2.10525
   D395      -0.35997  -0.00001   0.01909  -0.00719   0.01190  -0.34808
   D396       2.06355   0.00000  -0.00250   0.00255   0.00000   2.06355
   D397      -0.40032   0.00000   0.01626  -0.00567   0.01054  -0.38978
   D398       2.28620   0.00000  -0.00953   0.00504  -0.00456   2.28164
   D399      -0.17767   0.00001   0.00923  -0.00318   0.00598  -0.17169
   D400       2.49832   0.00000   0.00208   0.00038   0.00248   2.50080
   D401       0.03444   0.00001   0.02085  -0.00784   0.01302   0.04747
   D402      -1.53563  -0.00001  -0.00027   0.00009  -0.00022  -1.53585
   D403       2.28368  -0.00001   0.01849  -0.00813   0.01032   2.29400
   D404      -2.63273  -0.00001   0.00036   0.00014   0.00050  -2.63223
   D405       1.18658  -0.00001   0.01912  -0.00808   0.01104   1.19762
   D406      -2.98584   0.00000   0.00379  -0.00044   0.00336  -2.98248
   D407       0.83348   0.00000   0.02256  -0.00866   0.01390   0.84737
   D408       1.91810   0.00000  -0.00346   0.00093  -0.00263   1.91547
   D409       2.41321  -0.00001  -0.00151   0.00123  -0.00034   2.41288
   D410       2.64934   0.00000  -0.00522   0.00191  -0.00334   2.64599
   D411       2.88526  -0.00001  -0.00783   0.00187  -0.00596   2.87930
   D412       2.83476   0.00002   0.00575   0.00126   0.00704   2.84179
   D413      -2.94127   0.00000  -0.00085   0.00244   0.00160  -2.93967
   D414      -0.72677  -0.00001  -0.01339   0.00309  -0.01026  -0.73702
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   D416      -0.03172   0.00001  -0.01489   0.00384  -0.01105  -0.04277
   D417       0.27541   0.00001  -0.01424   0.00348  -0.01076   0.26465
   D418      -0.22232  -0.00002  -0.01052   0.00105  -0.00940  -0.23172
   D419       0.08197  -0.00002  -0.00785  -0.00017  -0.00801   0.07397
   D420      -2.54179  -0.00001  -0.00906   0.00249  -0.00659  -2.54839
   D421      -2.16022  -0.00001  -0.00887   0.00237  -0.00651  -2.16673
   D422      -1.90552   0.00000  -0.01222   0.00368  -0.00857  -1.91409
   D423      -1.58719   0.00000  -0.01423   0.00407  -0.01013  -1.59733
   D424      -1.95642   0.00000  -0.00552   0.00112  -0.00442  -1.96084
   D425       1.31202   0.00000  -0.00474   0.00070  -0.00405   1.30797
   D426       2.47860  -0.00001  -0.00512   0.00098  -0.00415   2.47445
   D427       2.95501  -0.00002  -0.00533   0.00107  -0.00425   2.95076
   D428      -3.06616   0.00000  -0.00369   0.00163  -0.00203  -3.06819
   D429       0.02334   0.00002   0.00462  -0.00304   0.00158   0.02492
   D430       0.04588   0.00003  -0.00326   0.00148  -0.00176   0.04413
   D431       3.13538   0.00005   0.00505  -0.00319   0.00185   3.13723
   D432      -0.08839   0.00001   0.00218  -0.00474  -0.00259  -0.09099
   D433       2.01105   0.00000   0.00199  -0.00487  -0.00293   2.00812
   D434      -2.18553   0.00000   0.00219  -0.00458  -0.00241  -2.18794
   D435       3.10265  -0.00002  -0.00570  -0.00030  -0.00602   3.09663
   D436      -1.08109  -0.00002  -0.00589  -0.00043  -0.00636  -1.08745
   D437       1.00551  -0.00002  -0.00569  -0.00014  -0.00584   0.99967
   D438      -2.36273  -0.00002  -0.00554   0.00258  -0.00297  -2.36570
   D439      -0.27299   0.00001  -0.00528   0.00248  -0.00281  -0.27581
   D440       1.83464  -0.00001  -0.00554   0.00263  -0.00292   1.83172
   D441       0.72932   0.00000   0.00236  -0.00188   0.00047   0.72978
   D442       2.81906   0.00003   0.00262  -0.00198   0.00062   2.81968
   D443      -1.35650   0.00001   0.00236  -0.00183   0.00052  -1.35598
   D444       0.00054   0.00001  -0.00063   0.00061  -0.00005   0.00048
   D445       3.10932   0.00001   0.00387  -0.00086   0.00297   3.11229
   D446      -3.11848   0.00000  -0.00105   0.00070  -0.00038  -3.11886
   D447      -0.00970  -0.00001   0.00346  -0.00076   0.00265  -0.00705
   D448       2.40626   0.00000   0.00915  -0.00037   0.00875   2.41501
   D449      -1.79450   0.00000   0.01023  -0.00064   0.00957  -1.78493
   D450       0.31238   0.00003   0.01061  -0.00058   0.01001   0.32240
   D451      -0.70415   0.00001   0.00489   0.00102   0.00589  -0.69825
   D452       1.37828   0.00001   0.00597   0.00075   0.00671   1.38499
   D453      -2.79802   0.00004   0.00635   0.00081   0.00716  -2.79086
   D454       2.05663  -0.00003  -0.00324   0.00025  -0.00295   2.05368
   D455      -2.14433   0.00000  -0.00153  -0.00015  -0.00163  -2.14596
   D456      -0.05030  -0.00003  -0.00218   0.00009  -0.00204  -0.05235
   D457      -1.11611  -0.00003   0.00101  -0.00114  -0.00011  -1.11622
   D458       0.96611  -0.00001   0.00272  -0.00154   0.00121   0.96733
   D459       3.06014  -0.00004   0.00207  -0.00130   0.00079   3.06094
   D460      -3.08112  -0.00001  -0.00161   0.00002  -0.00157  -3.08269
   D461      -0.02316  -0.00001  -0.00124   0.00021  -0.00102  -0.02418
   D462       0.07385   0.00000  -0.00179   0.00041  -0.00137   0.07247
   D463       3.13181   0.00001  -0.00143   0.00060  -0.00083   3.13098
   D464       1.91878   0.00002   0.00805  -0.00242   0.00564   1.92443
   D465      -2.28087   0.00000   0.00742  -0.00242   0.00501  -2.27585
   D466      -0.18927   0.00003   0.00839  -0.00239   0.00600  -0.18327
   D467      -1.14246   0.00001   0.00767  -0.00262   0.00507  -1.13739
   D468       0.94107  -0.00001   0.00704  -0.00262   0.00444   0.94551
   D469       3.03268   0.00002   0.00801  -0.00259   0.00542   3.03810
   D470      -1.63900   0.00002   0.00447  -0.00125   0.00322  -1.63578
   D471       0.46638   0.00000   0.00402  -0.00117   0.00284   0.46922
   D472       2.55671   0.00001   0.00410  -0.00113   0.00296   2.55967
   D473       1.42261   0.00002   0.00487  -0.00106   0.00380   1.42641
   D474      -2.75519   0.00001   0.00442  -0.00098   0.00342  -2.75177
   D475      -0.66486   0.00002   0.00450  -0.00094   0.00354  -0.66132
   D476       0.00294   0.00003   0.00223   0.00077   0.00299   0.00593
   D477      -3.04465   0.00003   0.00267  -0.00006   0.00260  -3.04205
   D478       3.11574   0.00002   0.00288   0.00085   0.00372   3.11945
   D479       0.06814   0.00002   0.00333   0.00001   0.00333   0.07147
   D480      -0.30175   0.00004  -0.00150   0.00067  -0.00086  -0.30261
   D481       1.80823  -0.00003  -0.00363   0.00102  -0.00261   1.80561
   D482      -2.39302   0.00000  -0.00167   0.00038  -0.00132  -2.39434
   D483       2.75072   0.00004  -0.00202   0.00147  -0.00058   2.75014
   D484      -1.42249  -0.00004  -0.00415   0.00182  -0.00234  -1.42483
   D485       0.65945   0.00000  -0.00218   0.00119  -0.00105   0.65840
   D486      -0.08236   0.00005  -0.00871   0.00226  -0.00645  -0.08882
   D487       2.01450  -0.00002  -0.00995   0.00227  -0.00770   2.00680
   D488      -2.18544  -0.00001  -0.00926   0.00227  -0.00701  -2.19245
   D489      -3.13484   0.00005  -0.00824   0.00145  -0.00678   3.14156
   D490      -1.03798  -0.00002  -0.00948   0.00146  -0.00802  -1.04600
   D491       1.04526  -0.00001  -0.00879   0.00146  -0.00733   1.03793
         Item               Value     Threshold  Converged?
 Maximum Force            0.000084     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.037570     0.001800     NO 
 RMS     Displacement     0.006292     0.001200     NO 
 Predicted change in Energy=-9.850340D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:50:16 2016, MaxMem=  2952790016 cpu:         8.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.811007   -0.586528    1.662750
      2          6           0       -2.069640    1.122699   -1.366058
      3          8           0       -2.616201    0.143201   -1.902487
      4          7           0       -0.776176    1.173945   -0.945850
      5          1           0       -2.622017    2.059753   -1.152894
      6          6           0       -0.243173    2.340908   -0.241798
      7          1           0       -1.002731    3.134540   -0.214478
      8          1           0        0.033118    2.062660    0.788205
      9          1           0        0.654734    2.712926   -0.761604
     10          6           0        0.138184    0.042824   -1.120648
     11          1           0        0.705850   -0.109546   -0.189360
     12          1           0       -0.440708   -0.861734   -1.348640
     13          1           0        0.848442    0.244023   -1.939546
     14          6           0       -2.027383   -3.983408    2.648163
     15          8           0       -2.161103   -3.816829    3.872585
     16          7           0       -2.956177   -3.676710    1.701568
     17          1           0       -1.095407   -4.391324    2.208711
     18          6           0       -4.254245   -3.096675    2.054059
     19          1           0       -4.499875   -2.304349    1.329282
     20          1           0       -5.045139   -3.864493    2.019076
     21          1           0       -4.201226   -2.670585    3.064012
     22          6           0       -2.694733   -3.875571    0.275565
     23          1           0       -3.402330   -4.609393   -0.144126
     24          1           0       -2.822446   -2.920361   -0.260088
     25          1           0       -1.666151   -4.235900    0.134695
     26          6           0        1.580260    0.367608    2.597381
     27          8           0        1.424795    1.389086    3.287664
     28          7           0        1.190131   -0.888711    2.946544
     29          1           0        2.055664    0.400382    1.597210
     30          6           0        1.480535   -2.045984    2.099107
     31          1           0        2.232477   -2.694834    2.578913
     32          1           0        0.561677   -2.634339    1.946054
     33          1           0        1.857241   -1.703348    1.125541
     34          6           0        0.551102   -1.153291    4.238072
     35          1           0        1.299141   -1.458378    4.989681
     36          1           0        0.038413   -0.245736    4.581521
     37          1           0       -0.179104   -1.966148    4.115359
     38          6           0       -4.607521    1.070609    2.898247
     39          8           0       -4.852271    1.643470    1.822627
     40          7           0       -3.542254    1.329148    3.705124
     41          1           0       -5.246609    0.252995    3.288164
     42          6           0       -2.549860    2.353820    3.368290
     43          1           0       -2.630095    2.606678    2.303072
     44          1           0       -2.708517    3.260366    3.975337
     45          1           0       -1.543720    1.960099    3.578972
     46          6           0       -3.264193    0.522271    4.893611
     47          1           0       -4.071714   -0.207006    5.045191
     48          1           0       -2.308757   -0.013777    4.762439
     49          1           0       -3.184513    1.171075    5.780683
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487410   0.000000
     3  O    3.727165   1.243343   0.000000
     4  N    3.312844   1.360973   2.315875   0.000000
     5  H    3.948214   1.108436   2.057934   2.057827   0.000000
     6  C    3.828223   2.466571   3.635803   1.463415   2.562819
     7  H    4.245426   2.551849   3.794834   2.104796   2.158212
     8  H    3.344223   3.153723   4.235922   2.109910   3.289015
     9  H    4.779516   3.211915   4.313249   2.109482   3.364052
    10  C    3.455826   2.469988   2.864957   1.464937   3.418735
    11  H    3.161075   3.256745   3.746292   2.101435   4.087659
    12  H    3.319929   2.567430   2.459555   2.102086   3.651234
    13  H    4.554012   3.100994   3.466308   2.119332   3.994970
    14  C    3.543536   6.495235   6.171226   6.409426   7.163897
    15  O    3.929475   7.200741   7.017151   7.074119   7.746102
    16  N    3.295776   5.764599   5.262748   5.940545   6.416122
    17  H    3.909811   6.643233   6.306875   6.405106   7.432854
    18  C    3.524680   5.854299   5.369753   6.271732   6.287883
    19  H    3.208133   4.991548   4.470242   5.580384   5.360311
    20  H    4.618617   6.721965   6.110647   7.238832   7.143501
    21  H    3.466984   6.209524   5.924172   6.526130   6.530873
    22  C    3.677371   5.297959   4.571719   5.538080   6.105232
    23  H    4.688342   6.010496   5.128059   6.402065   6.789993
    24  H    3.188588   4.258664   3.482158   4.628264   5.063478
    25  H    3.959021   5.579395   4.922320   5.588028   6.496677
    26  C    3.644805   5.440659   6.157065   4.330988   5.881075
    27  O    4.124781   5.825733   6.694740   4.776317   6.045249
    28  N    3.278150   5.768051   6.250288   4.824069   6.327030
    29  H    3.991170   5.130383   5.842974   3.883925   5.674265
    30  C    3.626937   5.886566   6.130949   4.973174   6.653084
    31  H    4.651244   6.974565   7.186589   6.036837   7.752328
    32  H    3.146970   5.657671   5.711821   4.965479   6.463272
    33  H    3.871940   5.441966   5.708798   4.416374   6.278212
    34  C    3.540207   6.592017   7.029877   5.835302   7.032414
    35  H    4.636983   7.642386   8.086838   6.816641   8.092216
    36  H    3.472134   6.456794   7.017165   5.764623   6.728795
    37  H    3.252960   6.569706   6.826658   5.986027   7.066130
    38  C    3.477506   4.962645   5.279440   5.428348   4.618698
    39  O    3.774617   4.264030   4.596443   4.949694   3.741797
    40  N    3.292160   5.284704   5.805975   5.413579   4.998095
    41  H    3.892317   5.701868   5.820134   6.225737   5.465881
    42  C    3.478566   4.915315   5.715972   4.811431   4.531312
    43  H    3.358196   3.997351   4.873976   4.005651   3.498985
    44  H    4.577355   5.788634   6.653875   5.683765   5.267609
    45  H    3.198228   5.042931   5.873477   4.656306   4.854195
    46  C    3.712094   6.400853   6.837436   6.380769   6.271878
    47  H    4.086042   6.846936   7.107137   6.975685   6.756928
    48  H    3.191217   6.237565   6.673859   6.028603   6.276051
    49  H    4.683275   7.233339   7.772426   7.144673   7.012891
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098874   0.000000
     8  H    1.102119   1.796464   0.000000
     9  H    1.102195   1.795632   1.791971   0.000000
    10  C    2.489779   3.417826   2.781097   2.743206   0.000000
    11  H    2.628331   3.666603   2.475214   2.880352   1.101254
    12  H    3.394265   4.191944   3.652766   3.784548   1.097871
    13  H    2.910481   3.841587   3.378287   2.742362   1.102516
    14  C    7.178597   7.740143   6.652823   7.978794   5.924876
    15  O    7.650120   8.146621   6.992596   8.487776   6.716846
    16  N    6.881045   7.340321   6.535326   7.741663   5.601330
    17  H    7.214863   7.906899   6.704127   7.896590   5.680497
    18  C    7.136314   7.385570   6.826611   8.110333   6.263278
    19  H    6.493552   6.647911   6.317560   7.490984   5.746561
    20  H    8.165625   8.385481   7.901575   9.136913   7.210535
    21  H    7.190941   7.394481   6.746301   8.197432   6.610934
    22  C    6.702419   7.228048   6.554889   7.463441   5.032758
    23  H    7.635214   8.107498   7.562264   8.393891   5.927221
    24  H    5.859517   6.322600   5.838122   6.638993   4.276255
    25  H    6.739512   7.408471   6.556406   7.380789   4.810301
    26  C    3.908934   4.715327   2.922322   4.199987   4.001101
    27  O    4.018108   4.604833   2.939007   4.329217   4.785500
    28  N    4.759236   5.566619   3.835062   5.196999   4.303069
    29  H    3.525940   4.484597   2.740137   3.588101   3.345345
    30  C    5.262683   6.193312   4.549114   5.613630   4.065938
    31  H    6.280442   7.228499   5.538733   6.549213   5.056441
    32  H    5.494321   6.355724   4.866394   5.994440   4.092824
    33  H    4.757874   5.777564   4.198099   4.950840   3.324100
    34  C    5.736684   6.373781   4.744705   6.321007   5.506094
    35  H    6.646931   7.312782   5.626093   7.133885   6.398246
    36  H    5.480367   5.959182   4.440491   6.138608   5.710337
    37  H    6.126962   6.741133   5.229368   6.809830   5.617153
    38  C    5.524588   5.190701   5.193455   6.616876   6.303140
    39  O    5.098240   4.603482   5.011265   6.176495   6.010788
    40  N    5.242689   5.007185   4.672231   6.283407   6.203896
    41  H    6.469496   6.211465   6.115570   7.568205   6.962599
    42  C    4.284123   3.979869   3.662429   5.239695   5.719865
    43  H    3.499199   3.043849   3.111829   4.493733   5.094956
    44  H    4.970669   4.525493   4.371370   5.835217   6.665234
    45  H    4.053977   4.007773   3.207073   4.923470   5.347072
    46  C    6.229480   6.166906   5.486293   7.220693   6.926568
    47  H    7.007271   6.946129   6.334269   8.036429   7.470156
    48  H    5.903691   6.032189   5.058705   6.836098   6.371925
    49  H    6.803696   6.675127   6.006073   7.740714   7.742199
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795637   0.000000
    13  H    1.791227   1.798271   0.000000
    14  C    5.525297   5.313832   6.869397   0.000000
    15  O    6.201835   6.241276   7.702516   1.242916   0.000000
    16  N    5.450753   4.853394   6.565439   1.361162   2.316267
    17  H    5.227704   5.053847   6.517133   1.108193   2.057724
    18  C    6.209542   5.578206   7.290169   2.469447   2.864769
    19  H    5.850043   5.072400   6.766383   3.266788   3.771716
    20  H    7.214616   6.446615   8.202737   3.084921   3.428619
    21  H    6.420494   6.073297   7.683078   2.573330   2.475836
    22  C    5.095396   4.099010   5.867868   2.467023   3.636861
    23  H    6.093259   4.926155   6.696883   3.174777   4.278173
    24  H    4.511602   3.331000   5.129262   3.196892   4.280189
    25  H    4.770555   3.884198   5.540341   2.551815   3.793734
    26  C    2.959424   4.600725   4.597231   5.652345   5.756166
    27  O    3.853892   5.481023   5.382107   6.417959   6.348413
    28  N    3.267341   4.594449   5.027297   4.474212   4.545569
    29  H    2.296488   4.062369   3.740384   6.082219   6.383050
    30  C    3.096290   4.120750   4.685552   4.044820   4.420706
    31  H    4.083827   5.092332   5.564972   4.451025   4.715507
    32  H    3.309887   3.873230   4.844078   3.002695   3.538833
    33  H    2.365348   3.480007   3.768911   4.754719   5.306613
    34  C    4.551429   5.681553   6.340651   4.145596   3.818910
    35  H    5.384590   6.599801   7.149510   4.787928   4.333992
    36  H    4.819266   5.981289   6.589410   4.687812   4.253606
    37  H    4.770820   5.580631   6.527066   3.104535   2.722550
    38  C    6.257635   6.255584   7.338598   5.680030   5.551698
    39  O    6.165538   5.982881   6.972125   6.350059   6.423361
    40  N    5.939969   6.321398   7.233119   5.624522   5.330731
    41  H    6.903360   6.770469   8.029862   5.359117   5.140561
    42  C    5.415229   6.085864   6.646264   6.399377   6.203415
    43  H    4.971783   5.491657   5.973455   6.626581   6.629084
    44  H    6.352867   7.104886   7.532339   7.395783   7.099078
    45  H    4.852250   5.784526   6.254711   6.035364   5.817239
    46  C    6.480511   6.989508   7.980177   5.183906   4.592068
    47  H    7.087676   7.382002   8.555578   4.917952   4.249266
    48  H    5.798046   6.446233   7.412892   4.506363   3.908561
    49  H    7.239913   7.904937   8.759343   6.141688   5.437591
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056776   0.000000
    18  C    1.464811   3.417351   0.000000
    19  H    2.098804   4.088919   1.101552   0.000000
    20  H    2.121282   3.989222   1.102851   1.790860   0.000000
    21  H    2.102068   3.652204   1.097438   1.797946   1.797080
    22  C    1.463346   2.561424   2.490341   2.614880   2.926492
    23  H    2.115546   3.302315   2.801088   2.947671   2.816582
    24  H    2.106666   3.352814   2.726979   2.391514   3.320593
    25  H    2.105220   2.156721   3.417605   3.631518   3.886694
    26  C    6.143146   5.473362   6.807195   6.761321   7.882958
    27  O    6.882653   6.397554   7.341344   7.251099   8.430270
    28  N    5.149249   4.246926   5.942463   6.082412   6.970944
    29  H    6.461588   5.767463   7.228629   7.096651   8.293885
    30  C    4.743598   3.485414   5.830411   6.035287   6.774792
    31  H    5.353125   3.753657   6.520315   6.858471   7.392240
    32  H    3.677174   2.429386   4.839269   5.109659   5.740644
    33  H    5.234019   4.137221   6.336700   6.388712   7.287784
    34  C    5.010240   4.161029   5.624768   5.941243   6.602460
    35  H    5.817252   4.697854   6.491687   6.909615   7.407008
    36  H    5.388254   4.909346   5.739584   5.950714   6.745667
    37  H    4.057652   3.218135   4.704659   5.152248   5.628180
    38  C    5.166819   6.530170   4.266581   3.723383   5.031867
    39  O    5.649260   7.119116   4.783322   3.994101   5.514838
    40  N    5.423683   6.399227   4.777118   4.445667   5.663508
    41  H    4.817255   6.321977   3.705144   3.306787   4.313338
    42  C    6.269797   6.996930   5.860037   5.445976   6.834780
    43  H    6.320530   7.164928   5.935327   5.344392   6.912969
    44  H    7.304409   8.016948   6.818545   6.416902   7.749218
    45  H    6.106824   6.513000   5.936604   5.655570   6.972739
    46  C    5.283507   6.004642   4.705319   4.713929   5.538810
    47  H    4.946018   5.866220   4.162977   4.288374   4.845838
    48  H    4.817174   5.211206   4.541421   4.672717   5.462769
    49  H    6.339743   6.932794   5.765913   5.798597   6.555041
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390715   0.000000
    23  H    3.832670   1.102419   0.000000
    24  H    3.607363   1.102571   1.789564   0.000000
    25  H    4.178243   1.098937   1.797652   1.795415   0.000000
    26  C    6.547820   6.455305   7.557287   6.193520   6.147869
    27  O    6.941403   7.332112   8.429714   7.014053   7.150919
    28  N    5.679402   5.581006   6.669813   5.523664   5.221926
    29  H    7.122572   6.526622   7.610505   6.186505   6.122579
    30  C    5.796860   4.909741   5.953615   4.984575   4.307701
    31  H    6.452011   5.565694   6.544580   5.801986   4.852668
    32  H    4.892483   3.864634   4.897248   4.049835   3.287741
    33  H    6.434146   5.114829   6.141680   5.029966   4.450830
    34  C    5.124961   5.800665   6.839439   5.893794   5.590742
    35  H    5.952452   6.634511   7.641250   6.832639   6.330757
    36  H    5.114417   6.259956   7.294652   6.227304   6.212987
    37  H    4.216518   4.971750   5.959793   5.200223   4.817548
    38  C    3.766841   5.916242   6.555222   5.393461   6.666927
    39  O    4.536074   6.124392   6.713325   5.411695   6.896917
    40  N    4.104038   6.290410   7.078317   5.856565   6.872953
    41  H    3.112940   5.712520   6.230955   5.341990   6.550895
    42  C    5.297570   6.956382   7.845388   6.407529   7.393341
    43  H    5.558505   6.792239   7.658772   6.095486   7.242370
    44  H    6.183436   8.038041   8.909796   7.493544   8.487112
    45  H    5.363838   6.803850   7.776510   6.339749   7.090024
    46  C    3.797340   6.402472   7.192485   6.213491   6.916734
    47  H    3.164027   6.172826   6.837990   6.088429   6.792032
    48  H    3.677597   5.932493   6.811018   5.825623   6.297244
    49  H    4.813768   7.484307   8.280375   7.304921   7.963541
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242610   0.000000
    28  N    1.361048   2.315123   0.000000
    29  H    1.107892   2.057467   2.057088   0.000000
    30  C    2.466505   3.635311   1.463477   2.562690   0.000000
    31  H    3.131178   4.222923   2.117479   3.251978   1.103012
    32  H    3.236266   4.328145   2.107878   3.400473   1.101765
    33  H    2.555756   3.798018   2.103502   2.165069   1.098698
    34  C    2.462553   2.851367   1.465061   3.413467   2.497182
    35  H    3.022640   3.319745   2.123868   3.941596   2.955267
    36  H    2.586561   2.503750   2.100720   3.659629   3.388656
    37  H    3.293332   3.809878   2.098048   4.115304   2.612671
    38  C    6.234851   6.053257   6.119971   6.822019   6.885943
    39  O    6.603447   6.450783   6.647236   7.022510   7.334367
    40  N    5.328396   4.984921   5.281080   6.053313   6.260928
    41  H    6.862686   6.767447   6.546130   7.496949   7.207887
    42  C    4.647282   4.090855   4.967838   5.306930   6.100262
    43  H    4.777776   4.346733   5.217847   5.227076   6.211775
    44  H    5.353543   4.588992   5.785561   6.044206   7.016107
    45  H    3.641264   3.036939   3.998704   4.394960   5.233052
    46  C    5.363331   5.031604   5.061911   6.259552   6.075988
    47  H    6.186014   5.987322   5.705791   7.057072   6.548949
    48  H    4.467369   4.252340   4.037970   5.407252   5.057859
    49  H    5.786367   5.244845   5.604692   6.749435   6.757673
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787664   0.000000
    33  H    1.798927   1.794009   0.000000
    34  C    2.820671   2.728913   3.420002   0.000000
    35  H    2.865613   3.345206   3.911913   1.103430   0.000000
    36  H    3.849992   3.595124   4.168521   1.097481   1.796255
    37  H    2.950826   2.387702   3.626952   1.099544   1.790944
    38  C    7.814481   6.430702   7.254686   5.775141   6.757110
    39  O    8.341852   6.901138   7.530250   6.546196   7.582319
    40  N    7.127993   5.970411   6.708563   4.816855   5.732320
    41  H    8.070283   6.623756   7.679121   6.040979   6.976447
    42  C    6.998769   6.048649   6.396333   4.761545   5.654784
    43  H    7.199078   6.146798   6.332384   5.291654   6.259508
    44  H    7.863067   7.039866   7.321608   5.493133   6.273497
    45  H    6.076857   5.311119   5.568367   3.809972   4.664542
    46  C    6.776501   5.769710   6.736528   4.218259   4.975562
    47  H    7.212118   6.079878   7.263278   4.787205   5.514989
    48  H    5.707772   4.799871   5.782492   3.122859   3.892999
    49  H    7.385145   6.574154   7.439889   4.662311   5.257648
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795673   0.000000
    38  C    5.113793   5.505827   0.000000
    39  O    5.924472   6.334386   1.242992   0.000000
    40  N    4.008678   4.726314   1.361135   2.314894   0.000000
    41  H    5.463786   5.593608   1.108585   2.058329   2.058346
    42  C    3.863777   4.984047   2.470130   2.862650   1.465693
    43  H    4.522004   5.495678   2.573704   2.469142   2.104724
    44  H    4.495089   5.808097   3.092148   3.441540   2.120787
    45  H    2.893779   4.191099   3.262124   3.759190   2.099559
    46  C    3.405060   4.039267   2.467121   3.634559   1.463171
    47  H    4.136379   4.371679   2.555144   3.797163   2.106152
    48  H    2.365532   2.960724   3.152050   4.225922   2.107813
    49  H    3.719219   4.652736   3.216129   4.320970   2.112087
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419407   0.000000
    43  H    3.654637   1.097754   0.000000
    44  H    3.994797   1.102499   1.797200   0.000000
    45  H    4.087806   1.100782   1.796161   1.790126   0.000000
    46  C    2.565140   2.488262   3.384925   2.940947   2.599163
    47  H    2.163128   3.418460   4.185008   3.876282   3.638254
    48  H    3.297822   2.758133   3.608119   3.391069   2.425296
    49  H    3.362702   2.760672   3.802908   2.801961   2.856972
                   46         47         48         49
    46  C    0.000000
    47  H    1.098595   0.000000
    48  H    1.103363   1.795913   0.000000
    49  H    1.101905   1.796436   1.790990   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2148408      0.1951022      0.1843512
 Leave Link  202 at Mon Nov 14 04:50:16 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.5824117251 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1845235373 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.3978881878 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4031
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.23D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     211
 GePol: Fraction of low-weight points (<1% of avg)   =       5.23%
 GePol: Cavity surface area                          =    468.319 Ang**2
 GePol: Cavity volume                                =    458.528 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040255890 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.3938625988 Hartrees.
 Leave Link  301 at Mon Nov 14 04:50:16 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11987 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:50:17 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:50:18 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.005217    0.003342    0.000764
         Rot=    1.000000   -0.000199   -0.000038   -0.000144 Ang=  -0.03 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50887868574    
 Leave Link  401 at Mon Nov 14 04:50:24 2016, MaxMem=  2952790016 cpu:        78.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48746883.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   2199.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.50D-15 for   1363     26.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.66D-15 for   1842.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.51D-07 for   2672   2306.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.09D-14 for     66.
 Iteration    2 A*A^-1 deviation from orthogonality  is 8.80D-15 for   2354    172.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for    562.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.96D-16 for   1803   1002.
 E= -1013.45113775258    
 DIIS: error= 3.26D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45113775258     IErMin= 1 ErrMin= 3.26D-04
 ErrMax= 3.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-04 BMatP= 1.72D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.26D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.90D-05 MaxDP=1.96D-03              OVMax= 3.24D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.90D-05    CP:  1.00D+00
 E= -1013.45141713378     Delta-E=       -0.000279381195 Rises=F Damp=F
 DIIS: error= 4.75D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141713378     IErMin= 2 ErrMin= 4.75D-05
 ErrMax= 4.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-06 BMatP= 1.72D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.164D-01 0.984D+00
 Coeff:      0.164D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=1.01D-03 DE=-2.79D-04 OVMax= 1.13D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.36D-05    CP:  1.00D+00  9.70D-01
 E= -1013.45140858179     Delta-E=        0.000008551984 Rises=F Damp=F
 DIIS: error= 1.35D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141713378     IErMin= 2 ErrMin= 4.75D-05
 ErrMax= 1.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-05 BMatP= 2.40D-06
 IDIUse=3 WtCom= 4.62D-01 WtEn= 5.38D-01
 Coeff-Com:  0.177D-02 0.711D+00 0.287D+00
 Coeff-En:   0.000D+00 0.788D+00 0.212D+00
 Coeff:      0.820D-03 0.753D+00 0.246D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.67D-06 MaxDP=7.16D-04 DE= 8.55D-06 OVMax= 8.21D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.80D-06    CP:  1.00D+00  9.76D-01  4.30D-01
 E= -1013.45141921904     Delta-E=       -0.000010637247 Rises=F Damp=F
 DIIS: error= 1.08D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45141921904     IErMin= 4 ErrMin= 1.08D-05
 ErrMax= 1.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-07 BMatP= 2.40D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.590D-04 0.253D+00 0.725D-01 0.675D+00
 Coeff:     -0.590D-04 0.253D+00 0.725D-01 0.675D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.71D-06 MaxDP=6.07D-05 DE=-1.06D-05 OVMax= 6.09D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.04D-06    CP:  1.00D+00  9.81D-01  3.65D-01  7.40D-01
 E= -1013.45141930512     Delta-E=       -0.000000086080 Rises=F Damp=F
 DIIS: error= 8.94D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45141930512     IErMin= 5 ErrMin= 8.94D-06
 ErrMax= 8.94D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-08 BMatP= 1.18D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-04 0.136D+00 0.354D-01 0.430D+00 0.398D+00
 Coeff:     -0.104D-04 0.136D+00 0.354D-01 0.430D+00 0.398D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.56D-07 MaxDP=4.04D-05 DE=-8.61D-08 OVMax= 3.32D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.23D-07    CP:  1.00D+00  9.81D-01  3.64D-01  7.60D-01  6.99D-01
 E= -1013.45141933253     Delta-E=       -0.000000027404 Rises=F Damp=F
 DIIS: error= 1.16D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45141933253     IErMin= 6 ErrMin= 1.16D-06
 ErrMax= 1.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-10 BMatP= 3.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.219D-04 0.388D-01 0.942D-02 0.135D+00 0.181D+00 0.636D+00
 Coeff:     -0.219D-04 0.388D-01 0.942D-02 0.135D+00 0.181D+00 0.636D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.81D-08 MaxDP=5.83D-06 DE=-2.74D-08 OVMax= 5.70D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.76D-08    CP:  1.00D+00  9.81D-01  3.65D-01  7.64D-01  7.00D-01
                    CP:  8.85D-01
 E= -1013.45141933302     Delta-E=       -0.000000000494 Rises=F Damp=F
 DIIS: error= 3.91D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45141933302     IErMin= 7 ErrMin= 3.91D-07
 ErrMax= 3.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-10 BMatP= 7.41D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-04 0.905D-02 0.197D-02 0.355D-01 0.653D-01 0.372D+00
 Coeff-Com:  0.516D+00
 Coeff:     -0.139D-04 0.905D-02 0.197D-02 0.355D-01 0.653D-01 0.372D+00
 Coeff:      0.516D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.65D-08 MaxDP=1.55D-06 DE=-4.94D-10 OVMax= 2.15D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.35D-08    CP:  1.00D+00  9.81D-01  3.65D-01  7.65D-01  7.04D-01
                    CP:  8.82D-01  6.90D-01
 E= -1013.45141933315     Delta-E=       -0.000000000136 Rises=F Damp=F
 DIIS: error= 1.12D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45141933315     IErMin= 8 ErrMin= 1.12D-07
 ErrMax= 1.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.25D-12 BMatP= 1.54D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.560D-05 0.223D-02 0.493D-03 0.956D-02 0.212D-01 0.143D+00
 Coeff-Com:  0.251D+00 0.572D+00
 Coeff:     -0.560D-05 0.223D-02 0.493D-03 0.956D-02 0.212D-01 0.143D+00
 Coeff:      0.251D+00 0.572D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.10D-08 MaxDP=6.96D-07 DE=-1.36D-10 OVMax= 1.17D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.56D-09    CP:  1.00D+00  9.81D-01  3.65D-01  7.64D-01  7.06D-01
                    CP:  8.85D-01  6.84D-01  8.02D-01
 E= -1013.45141933319     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 1.13D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45141933319     IErMin= 8 ErrMin= 1.12D-07
 ErrMax= 1.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.30D-12 BMatP= 6.25D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.285D-05 0.612D-03 0.148D-03 0.297D-02 0.842D-02 0.653D-01
 Coeff-Com:  0.133D+00 0.464D+00 0.326D+00
 Coeff:     -0.285D-05 0.612D-03 0.148D-03 0.297D-02 0.842D-02 0.653D-01
 Coeff:      0.133D+00 0.464D+00 0.326D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.22D-09 MaxDP=4.32D-07 DE=-3.27D-11 OVMax= 7.13D-07

 Error on total polarization charges =  0.04315
 SCF Done:  E(RB97D) =  -1013.45141933     A.U. after    9 cycles
            NFock=  9  Conv=0.62D-08     -V/T= 2.0213
 KE= 9.923499636013D+02 PE=-6.030328173980D+03 EE= 2.175132928447D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:52:16 2016, MaxMem=  2952790016 cpu:      1276.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11987 LenP2D=   37502.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     361
 Leave Link  701 at Mon Nov 14 04:52:24 2016, MaxMem=  2952790016 cpu:        97.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:52:24 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:53:01 2016, MaxMem=  2952790016 cpu:       440.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.23598013D+00-2.54271129D+00 3.32392988D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000007287   -0.000190842   -0.000134978
      2        6           0.000096538    0.000024790    0.000030538
      3        8           0.000022073    0.000011675    0.000008453
      4        7          -0.000065231    0.000057814    0.000075497
      5        1           0.000012494    0.000038823   -0.000025723
      6        6          -0.000038603    0.000009527    0.000051691
      7        1           0.000021715    0.000021409    0.000012912
      8        1           0.000027251    0.000013525   -0.000068214
      9        1           0.000025630    0.000008606    0.000033741
     10        6           0.000000463    0.000044253    0.000042599
     11        1           0.000019905    0.000035396    0.000040185
     12        1           0.000031060    0.000006612   -0.000007654
     13        1           0.000018092    0.000035198    0.000011306
     14        6          -0.000172456    0.000051609   -0.000177212
     15        8           0.000013859   -0.000012297   -0.000027802
     16        7           0.000142824   -0.000018747    0.000044433
     17        1          -0.000004974   -0.000018806   -0.000006769
     18        6          -0.000074228   -0.000005759    0.000064883
     19        1          -0.000027260    0.000077886   -0.000036189
     20        1          -0.000012220    0.000003802   -0.000032591
     21        1          -0.000025615    0.000003432   -0.000058587
     22        6           0.000047287   -0.000051606    0.000065391
     23        1           0.000020568    0.000006682   -0.000039763
     24        1           0.000020699    0.000038932   -0.000013522
     25        1           0.000022758    0.000024106   -0.000023659
     26        6          -0.000029980    0.000024598   -0.000005227
     27        8           0.000019818   -0.000027835    0.000080989
     28        7          -0.000009059    0.000033707    0.000012082
     29        1           0.000021393   -0.000008194    0.000037336
     30        6           0.000069375    0.000041772   -0.000056921
     31        1          -0.000003799   -0.000001410    0.000028118
     32        1          -0.000089101   -0.000024394   -0.000026758
     33        1           0.000008387   -0.000009220    0.000010694
     34        6          -0.000044198   -0.000032316    0.000006473
     35        1          -0.000019730   -0.000020268    0.000016095
     36        1          -0.000028646   -0.000008992    0.000021246
     37        1           0.000028375   -0.000009860    0.000048946
     38        6           0.000016288   -0.000037708    0.000061626
     39        8          -0.000003426    0.000078932   -0.000068394
     40        7          -0.000024267    0.000016986   -0.000037388
     41        1           0.000022967   -0.000044440   -0.000033009
     42        6           0.000006940   -0.000098079    0.000046107
     43        1           0.000004586    0.000003280    0.000019369
     44        1           0.000002658   -0.000012308    0.000012008
     45        1          -0.000084589    0.000028794    0.000010122
     46        6           0.000005682    0.000008742    0.000023272
     47        1          -0.000015147   -0.000026520   -0.000029386
     48        1           0.000032807   -0.000072245    0.000003169
     49        1          -0.000017253   -0.000019041   -0.000009534
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000190842 RMS     0.000046986
 Leave Link  716 at Mon Nov 14 04:53:01 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000112152 RMS     0.000011060
 Search for a local minimum.
 Step number 108 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .11060D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   79   81   82   83   84
                                                     85   86   87   88   89
                                                     90   91   92   93   94
                                                     95   96   97   98   99
                                                    100  101  102  103  104
                                                    105  106  107  108
 DE=  1.96D-06 DEPred=-9.85D-07 R=-1.99D+00
 Trust test=-1.99D+00 RLast= 1.58D-01 DXMaxT set to 2.26D-01
 ITU= -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1
 ITU=  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1
 ITU=  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---   -0.13240  -0.00004   0.00000   0.00003   0.00054
     Eigenvalues ---    0.00096   0.00105   0.00127   0.00159   0.00200
     Eigenvalues ---    0.00219   0.00234   0.00288   0.00349   0.00432
     Eigenvalues ---    0.00470   0.00589   0.00681   0.00719   0.00804
     Eigenvalues ---    0.00832   0.00850   0.00911   0.01022   0.01074
     Eigenvalues ---    0.01201   0.01216   0.01247   0.01321   0.01332
     Eigenvalues ---    0.01464   0.01566   0.01666   0.01752   0.01810
     Eigenvalues ---    0.01820   0.01832   0.01881   0.01956   0.02001
     Eigenvalues ---    0.02138   0.02216   0.02325   0.02342   0.02491
     Eigenvalues ---    0.02520   0.02762   0.03013   0.03102   0.03274
     Eigenvalues ---    0.03787   0.04004   0.04482   0.04823   0.05339
     Eigenvalues ---    0.05633   0.05898   0.05938   0.06220   0.06288
     Eigenvalues ---    0.06510   0.06792   0.06913   0.07226   0.07444
     Eigenvalues ---    0.07529   0.07647   0.07921   0.08057   0.08102
     Eigenvalues ---    0.08345   0.08581   0.08840   0.08943   0.09045
     Eigenvalues ---    0.09333   0.09411   0.09496   0.09866   0.09944
     Eigenvalues ---    0.10043   0.10210   0.10463   0.10620   0.10816
     Eigenvalues ---    0.10925   0.11253   0.11329   0.11528   0.13101
     Eigenvalues ---    0.13367   0.14025   0.14605   0.14989   0.15150
     Eigenvalues ---    0.15306   0.15738   0.19768   0.21690   0.22803
     Eigenvalues ---    0.23629   0.24573   0.24699   0.25682   0.26230
     Eigenvalues ---    0.26791   0.27157   0.28148   0.29069   0.29515
     Eigenvalues ---    0.29772   0.30500   0.32799   0.32820   0.32833
     Eigenvalues ---    0.32924   0.33296   0.33334   0.33363   0.33375
     Eigenvalues ---    0.33393   0.33422   0.33478   0.33516   0.33704
     Eigenvalues ---    0.33797   0.33818   0.33839   0.33914   0.33949
     Eigenvalues ---    0.34041   0.34205   0.34240   0.36403   0.37759
     Eigenvalues ---    0.39941   0.40902   0.85907   0.86150   0.86501
     Eigenvalues ---    0.89948
 Eigenvalue     1 is  -1.32D-01 should be greater than     0.000000 Eigenvector:
                         A279      D463      D462      A278      D461
   1                   -0.27247   0.23089   0.22843   0.21442   0.20245
                         D460      D466      D469       R17      D464
   1                    0.19999   0.14704   0.14118   0.12885   0.11939
 Eigenvalue     2 is  -3.73D-05 should be greater than     0.000000 Eigenvector:
                          R4        R3       D440      D439      D438
   1                    0.14437   0.13532   0.12136   0.11941   0.11915
                         D390      D443      D442      D441      D399
   1                    0.11817   0.10968   0.10772   0.10747  -0.10740
 Eigenvalue     3 is   2.30D-06 Eigenvector:
                          D54       D52      D147      D391      D379
   1                   -0.14806  -0.13481   0.12630  -0.10934  -0.10177
                         D377      D273      D389       D53      D369
   1                   -0.10068  -0.10052  -0.10011  -0.09987  -0.09594
 Eigenvalue     4 is   3.31D-05 Eigenvector:
                         D391      D399      D389      D385      D387
   1                   -0.20879  -0.20876  -0.20680  -0.20629  -0.20509
                         D383      D397      D381      D395      D407
   1                   -0.20383  -0.20365  -0.20302  -0.19343  -0.19236
 Use linear search instead of GDIIS.
 RFO step:  Lambda=-1.32396457D-01 EMin=-1.32396201D-01
 I=     1 Eig=   -1.32D-01 Dot1=  1.04D-04
 I=     1 Stepn=  5.66D-01 RXN=   5.66D-01 EDone=F
 Mixed    1 eigenvectors in step.  Raw Step.Grad=  1.04D-04.
 RFO eigenvector is Hessian eigenvector with negative curvature.
 Taking step of  5.66D-01 in eigenvector direction(s).  Step.Grad= -4.41D-06.
 Quartic linear search produced a step of -0.70068.
 Maximum step size (   0.226) exceeded in Quadratic search.
    -- Step size not scaled.
 Iteration  1 RMS(Cart)=  0.02647028 RMS(Int)=  0.00132175
 Iteration  2 RMS(Cart)=  0.00108398 RMS(Int)=  0.00043584
 Iteration  3 RMS(Cart)=  0.00000282 RMS(Int)=  0.00043583
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00043583
 ITry= 1 IFail=0 DXMaxC= 3.16D-01 DCOld= 1.00D+10 DXMaxT= 2.26D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59025   0.00000  -0.00417   0.02562   0.02137   6.61162
    R2        6.26037   0.00000  -0.00051   0.00227   0.00177   6.26213
    R3        7.23429   0.00001  -0.00191   0.04943   0.04746   7.28175
    R4        6.31967   0.00002  -0.00009   0.02193   0.02186   6.34152
    R5        6.53057  -0.00003  -0.00042  -0.03380  -0.03441   6.49616
    R6        5.97357  -0.00001  -0.00030  -0.04579  -0.04595   5.92761
    R7        6.69631  -0.00004  -0.00478  -0.05333  -0.05808   6.63823
    R8        6.22811  -0.00001   0.00089  -0.05727  -0.05624   6.17188
    R9        6.66068   0.00002   0.00444  -0.06499  -0.06033   6.60035
   R10        6.06249   0.00000  -0.00119  -0.05855  -0.05986   6.00263
   R11        6.94922  -0.00001  -0.00129  -0.03370  -0.03488   6.91434
   R12        6.02556  -0.00002  -0.00095  -0.02021  -0.02117   6.00438
   R13        6.88768   0.00002   0.00145   0.03730   0.03947   6.92715
   R14        6.19481   0.00001  -0.00105   0.02426   0.02338   6.21819
   R15        6.85392   0.00001  -0.00737  -0.04154  -0.04903   6.80489
   R16        5.94691  -0.00003  -0.00559  -0.06752  -0.07327   5.87364
   R17        6.69002   0.00003   0.00392   0.07295   0.07572   6.76574
   R18        6.57153  -0.00003  -0.00329  -0.05111  -0.05437   6.51716
   R19        6.22128  -0.00002  -0.00129  -0.04724  -0.04851   6.17277
   R20        6.57354  -0.00001   0.00082  -0.00746  -0.00710   6.56644
   R21        6.04377   0.00001   0.00007   0.01460   0.01491   6.05868
   R22        7.01484  -0.00003  -0.00162  -0.06002  -0.06183   6.95301
   R23        6.03053  -0.00001   0.00358  -0.02547  -0.02188   6.00865
   R24        2.34958   0.00000  -0.00003   0.00157   0.00153   2.35111
   R25        2.57187  -0.00005   0.00012  -0.02149  -0.02135   2.55052
   R26        2.09464   0.00001  -0.00006   0.00758   0.00752   2.10216
   R27        2.76545  -0.00002  -0.00018   0.01329   0.01322   2.77868
   R28        2.76833   0.00000  -0.00016   0.00942   0.00942   2.77775
   R29        2.07657   0.00000  -0.00001  -0.00083  -0.00084   2.07573
   R30        2.08270  -0.00004  -0.00002  -0.01575  -0.01573   2.06698
   R31        2.08285   0.00001   0.00006  -0.00363  -0.00357   2.07928
   R32        2.08107   0.00000   0.00020   0.00148   0.00182   2.08289
   R33        2.07468   0.00001   0.00004   0.00381   0.00385   2.07853
   R34        2.08345   0.00001   0.00002  -0.00175  -0.00172   2.08173
   R35        2.34877  -0.00001   0.00012  -0.00583  -0.00571   2.34306
   R36        2.57222  -0.00011  -0.00045   0.00503   0.00439   2.57662
   R37        2.09418   0.00000   0.00003  -0.00344  -0.00341   2.09078
   R38        2.76809   0.00006  -0.00004   0.06478   0.06419   2.83228
   R39        2.76532  -0.00001  -0.00041   0.03060   0.03018   2.79551
   R40        2.08163   0.00004   0.00012   0.03902   0.03892   2.12055
   R41        2.08409   0.00000   0.00003  -0.00282  -0.00278   2.08130
   R42        2.07386  -0.00002  -0.00016  -0.01024  -0.01040   2.06345
   R43        2.08327   0.00000   0.00002  -0.00177  -0.00175   2.08152
   R44        2.08356   0.00003   0.00021   0.01167   0.01193   2.09549
   R45        2.07669   0.00001   0.00001   0.00301   0.00302   2.07971
   R46        2.34819   0.00001  -0.00010  -0.00320  -0.00330   2.34489
   R47        2.57201  -0.00001   0.00018  -0.00026   0.00034   2.57235
   R48        2.09361   0.00000  -0.00002   0.00279   0.00277   2.09639
   R49        2.76557   0.00002   0.00012   0.02050   0.02102   2.78659
   R50        2.76856   0.00003  -0.00005   0.00212   0.00243   2.77100
   R51        2.08439   0.00001  -0.00001   0.00078   0.00076   2.08516
   R52        2.08203   0.00006   0.00026   0.00881   0.00919   2.09123
   R53        2.07624   0.00000   0.00010   0.00022   0.00033   2.07656
   R54        2.08518   0.00000   0.00002  -0.00374  -0.00372   2.08146
   R55        2.07394   0.00002   0.00004   0.00875   0.00879   2.08273
   R56        2.07784  -0.00004   0.00001  -0.00883  -0.00882   2.06902
   R57        2.34891   0.00009   0.00013  -0.00995  -0.00983   2.33909
   R58        2.57217  -0.00002  -0.00021   0.05898   0.05877   2.63094
   R59        2.09492   0.00000   0.00000   0.00053   0.00053   2.09545
   R60        2.76976  -0.00003  -0.00009   0.01130   0.01155   2.78131
   R61        2.76499   0.00001  -0.00039   0.00182   0.00144   2.76643
   R62        2.07445   0.00000  -0.00006  -0.00226  -0.00231   2.07214
   R63        2.08342   0.00000  -0.00011   0.00036   0.00025   2.08368
   R64        2.08018  -0.00005  -0.00001  -0.00423  -0.00356   2.07661
   R65        2.07604   0.00000  -0.00004   0.00122   0.00118   2.07722
   R66        2.08505   0.00003  -0.00012   0.02882   0.02876   2.11381
   R67        2.08230  -0.00001   0.00015  -0.00227  -0.00211   2.08018
    A1        0.68171  -0.00001   0.00025  -0.00524  -0.00499   0.67672
    A2        0.95883  -0.00001   0.00048  -0.01137  -0.01090   0.94793
    A3        0.72736  -0.00001   0.00024  -0.00130  -0.00105   0.72631
    A4        1.01953   0.00000   0.00038  -0.00282  -0.00248   1.01705
    A5        2.35579   0.00000   0.00483   0.00927   0.01410   2.36989
    A6        2.03085   0.00001   0.00247   0.00695   0.00939   2.04025
    A7        1.97583   0.00001  -0.00182   0.00723   0.00521   1.98104
    A8        1.68102   0.00000  -0.00221  -0.00197  -0.00452   1.67650
    A9        1.66385   0.00001   0.00398   0.00392   0.00798   1.67183
   A10        1.38113   0.00001   0.00354  -0.00075   0.00289   1.38402
   A11        1.73494   0.00000   0.00085  -0.00336  -0.00263   1.73231
   A12        2.04114  -0.00001   0.00194  -0.00135   0.00050   2.04164
   A13        1.94874  -0.00001   0.00338   0.00439   0.00778   1.95652
   A14        2.04096  -0.00001   0.00540   0.00323   0.00859   2.04955
   A15        2.43370   0.00000   0.00065  -0.00449  -0.00382   2.42988
   A16        1.58617   0.00000  -0.00465  -0.00115  -0.00582   1.58035
   A17        1.78708   0.00000  -0.00446   0.00610   0.00165   1.78873
   A18        1.56659   0.00000  -0.00371  -0.00221  -0.00595   1.56063
   A19        1.70752  -0.00001  -0.00277  -0.01783  -0.02061   1.68691
   A20        2.19011   0.00000  -0.00440   0.01071   0.00629   2.19640
   A21        2.40992   0.00001  -0.00518   0.02188   0.01673   2.42665
   A22        0.64494  -0.00001  -0.00010  -0.00692  -0.00706   0.63789
   A23        0.65957   0.00000   0.00018   0.00033   0.00048   0.66005
   A24        2.41503   0.00001   0.00761   0.00635   0.01393   2.42896
   A25        2.23454   0.00001   0.00456   0.00521   0.00973   2.24427
   A26        2.32183   0.00001  -0.00041   0.00752   0.00676   2.32859
   A27        2.05388   0.00000  -0.00150  -0.00274  -0.00480   2.04908
   A28        1.82691   0.00001   0.00478  -0.00102   0.00384   1.83076
   A29        1.58399   0.00001   0.00384  -0.00626  -0.00231   1.58168
   A30        1.34094   0.00000   0.00063   0.00128   0.00177   1.34272
   A31        1.64224   0.00000   0.00165   0.00327   0.00485   1.64709
   A32        1.59589   0.00000   0.00305   0.00903   0.01208   1.60796
   A33        1.75298   0.00001   0.00502   0.00824   0.01322   1.76620
   A34        2.03696   0.00000   0.00063   0.00031   0.00096   2.03792
   A35        1.85222  -0.00001  -0.00316  -0.00377  -0.00698   1.84523
   A36        1.92148  -0.00001  -0.00260   0.00079  -0.00181   1.91967
   A37        1.57403  -0.00001  -0.00199  -0.00524  -0.00728   1.56675
   A38        1.59334  -0.00001  -0.00106  -0.02085  -0.02183   1.57151
   A39        2.27692  -0.00001  -0.00221   0.00859   0.00632   2.28324
   A40        2.37198   0.00000  -0.00318   0.01684   0.01374   2.38572
   A41        0.69045  -0.00001   0.00012   0.00048   0.00058   0.69104
   A42        0.74813   0.00000   0.00031  -0.00453  -0.00426   0.74387
   A43        2.68239   0.00001   0.00804   0.00162   0.00958   2.69197
   A44        2.61626   0.00000   0.00506   0.00324   0.00824   2.62450
   A45        2.65453   0.00000  -0.00205   0.00027  -0.00235   2.65218
   A46        2.34761  -0.00001  -0.00247  -0.01090  -0.01391   2.33370
   A47        2.20769   0.00001   0.00498  -0.00372   0.00129   2.20898
   A48        1.97100   0.00000   0.00396  -0.00824  -0.00422   1.96678
   A49        1.09992   0.00000   0.00056   0.00185   0.00235   1.10227
   A50        1.46096   0.00000   0.00103   0.00126   0.00226   1.46322
   A51        1.56669   0.00000   0.00256   0.00813   0.01065   1.57734
   A52        1.80659   0.00000   0.00418   0.00827   0.01241   1.81900
   A53        1.78347   0.00000  -0.00041   0.00055   0.00019   1.78365
   A54        1.71297   0.00000  -0.00130  -0.00087  -0.00221   1.71076
   A55        1.64991   0.00000  -0.00121   0.00028  -0.00093   1.64898
   A56        1.24985   0.00000  -0.00106  -0.00433  -0.00543   1.24442
   A57        1.21851   0.00000  -0.00070  -0.01933  -0.01992   1.19858
   A58        1.94434   0.00000  -0.00115   0.00985   0.00866   1.95300
   A59        1.99310   0.00000  -0.00285   0.01758   0.01484   2.00794
   A60        0.84207  -0.00001  -0.00075  -0.00255  -0.00330   0.83878
   A61        0.77873  -0.00001  -0.00086  -0.00602  -0.00689   0.77183
   A62        2.61750   0.00001   0.00468   0.00281   0.00750   2.62500
   A63        2.78599   0.00000   0.00509   0.00265   0.00764   2.79363
   A64        2.60445  -0.00001  -0.00223  -0.02071  -0.02345   2.58099
   A65        2.40742   0.00000   0.00416  -0.00809  -0.00391   2.40352
   A66        2.21059  -0.00001   0.00337  -0.01354  -0.01012   2.20047
   A67        0.85874   0.00001  -0.00030   0.00793   0.00763   0.86637
   A68        1.23513   0.00000  -0.00019   0.00621   0.00604   1.24116
   A69        1.42001   0.00000   0.00089   0.01229   0.01316   1.43316
   A70        1.69438   0.00000   0.00202   0.01280   0.01480   1.70917
   A71        1.51990   0.00001  -0.00123   0.00686   0.00568   1.52558
   A72        1.73034   0.00000   0.00157  -0.00194  -0.00047   1.72987
   A73        1.56206   0.00000   0.00142  -0.00202  -0.00060   1.56146
   A74        1.13265   0.00001   0.00143  -0.00516  -0.00378   1.12887
   A75        1.02374   0.00001   0.00123  -0.01744  -0.01610   1.00764
   A76        1.77916   0.00001   0.00100   0.01065   0.01160   1.79077
   A77        1.76995   0.00001  -0.00138   0.01855   0.01734   1.78729
   A78        2.01861   0.00001   0.00802   0.00232   0.01030   2.02891
   A79        1.95651   0.00001   0.00576   0.00327   0.00900   1.96551
   A80        2.22697   0.00001   0.00241   0.01481   0.01712   2.24409
   A81        2.07891   0.00001   0.00036   0.00918   0.00905   2.08797
   A82        1.56540   0.00001   0.00489  -0.00551  -0.00059   1.56481
   A83        1.39642   0.00001   0.00357  -0.01022  -0.00662   1.38980
   A84        1.19616   0.00000   0.00057  -0.00014   0.00020   1.19636
   A85        1.38558   0.00000   0.00207   0.00312   0.00511   1.39069
   A86        1.22208   0.00000   0.00314   0.00576   0.00891   1.23099
   A87        1.33436   0.00000   0.00514   0.00458   0.00968   1.34404
   A88        1.81185   0.00000   0.00179  -0.00108   0.00072   1.81257
   A89        2.28227  -0.00001  -0.00349  -0.00083  -0.00439   2.27788
   A90        2.33270  -0.00001  -0.00174   0.00216   0.00040   2.33310
   A91        1.93988   0.00000  -0.00083  -0.00405  -0.00493   1.93495
   A92        1.86546   0.00000   0.00061  -0.02026  -0.01952   1.84594
   A93        2.62078  -0.00001  -0.00001   0.00861   0.00855   2.62932
   A94        2.56369  -0.00001   0.00006   0.00630   0.00625   2.56994
   A95        1.93499   0.00001   0.00765   0.00606   0.01366   1.94866
   A96        2.00980   0.00001   0.00590   0.00959   0.01549   2.02529
   A97        2.38099   0.00001   0.00378   0.02432   0.02810   2.40909
   A98        2.32846   0.00001   0.00121   0.02036   0.02093   2.34939
   A99        1.67627   0.00001   0.00433  -0.00030   0.00404   1.68031
   A100       1.58047   0.00001   0.00292  -0.00451  -0.00156   1.57891
   A101       0.88915   0.00000   0.00055  -0.00417  -0.00383   0.88531
   A102       1.06380   0.00000   0.00198   0.00169   0.00359   1.06738
   A103       0.93804   0.00000   0.00292   0.00815   0.01113   0.94917
   A104       1.10474   0.00000   0.00462   0.00956   0.01420   1.11894
   A105       1.48984   0.00000   0.00167  -0.00253  -0.00085   1.48899
   A106       2.45996  -0.00001  -0.00130  -0.00518  -0.00653   2.45343
   A107       2.33836  -0.00001   0.00095  -0.00940  -0.00853   2.32982
   A108       1.90587   0.00000   0.00109  -0.01273  -0.01173   1.89414
   A109       1.73590   0.00000   0.00221  -0.02645  -0.02412   1.71178
   A110       2.46001  -0.00001   0.00269  -0.00280  -0.00018   2.45983
   A111       2.29992  -0.00001   0.00167  -0.00548  -0.00373   2.29619
   A112       0.71379   0.00000   0.00009   0.01452   0.01463   0.72842
   A113       1.00561   0.00000   0.00009   0.02372   0.02382   1.02944
   A114       0.69640  -0.00002   0.00021   0.00494   0.00511   0.70151
   A115       0.98446  -0.00001   0.00026   0.00925   0.00947   0.99393
   A116       1.80951   0.00001   0.00282  -0.00532  -0.00257   1.80694
   A117       1.42895   0.00001   0.00284  -0.00265   0.00013   1.42908
   A118       1.19847   0.00001   0.00355  -0.00945  -0.00588   1.19259
   A119       0.92380   0.00001   0.00287  -0.00987  -0.00698   0.91683
   A120       1.25032   0.00001   0.00167  -0.00549  -0.00385   1.24647
   A121       1.88484   0.00000  -0.00680  -0.00028  -0.00697   1.87787
   A122       1.93176   0.00000  -0.00621  -0.00474  -0.01090   1.92086
   A123       2.29292   0.00000  -0.00525  -0.00169  -0.00683   2.28609
   A124       2.21654   0.00001  -0.00317   0.01008   0.00699   2.22353
   A125       1.59119   0.00000  -0.00537  -0.01500  -0.02025   1.57094
   A126       1.46300   0.00000  -0.00251  -0.02678  -0.02930   1.43371
   A127       0.65663   0.00001   0.00001   0.02185   0.02184   0.67847
   A128       0.66098   0.00000  -0.00014   0.00959   0.00945   0.67044
   A129       2.17211   0.00000   0.00275  -0.00094   0.00171   2.17382
   A130       1.79986   0.00000   0.00269   0.00221   0.00484   1.80469
   A131       1.50738   0.00000   0.00286  -0.00506  -0.00218   1.50520
   A132       1.21406  -0.00001   0.00230  -0.00687  -0.00457   1.20949
   A133       1.64403  -0.00001   0.00193  -0.00140   0.00052   1.64454
   A134       1.73473   0.00000  -0.00698  -0.00328  -0.01019   1.72454
   A135       1.93431   0.00000  -0.00664  -0.00075  -0.00731   1.92700
   A136       2.36452   0.00000  -0.00655   0.00249  -0.00395   2.36057
   A137       2.44740  -0.00001  -0.00489   0.01624   0.01135   2.45875
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   A139       1.67362  -0.00001  -0.00209  -0.02102  -0.02311   1.65051
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   A141       0.83093   0.00001  -0.00091   0.02550   0.02472   0.85565
   A142       2.50298   0.00000   0.00326   0.00512   0.00821   2.51118
   A143       2.12407   0.00001   0.00340   0.00801   0.01121   2.13528
   A144       1.90620   0.00001   0.00327   0.00646   0.00973   1.91593
   A145       1.62003   0.00000   0.00248   0.00588   0.00839   1.62842
   A146       1.84184   0.00000   0.00315   0.00136   0.00446   1.84629
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   A148       1.55180  -0.00001  -0.00607  -0.01374  -0.01972   1.53208
   A149       1.98265  -0.00001  -0.00621  -0.01139  -0.01752   1.96513
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   A152       1.48254  -0.00001  -0.00106  -0.02372  -0.02452   1.45802
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   A157       2.16238   0.00001   0.00272   0.01738   0.02007   2.18245
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   A159       2.15211   0.00000   0.00283   0.01025   0.01303   2.16513
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   A168       1.47422  -0.00001   0.00114  -0.01156  -0.01045   1.46377
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   A172       2.24989   0.00000  -0.00623   0.01298   0.00680   2.25669
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   A177       2.04777   0.00000   0.00111  -0.00240  -0.00145   2.04632
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   A179       1.38692  -0.00001   0.00076  -0.01165  -0.01093   1.37599
   A180       2.13312   0.00000   0.00068  -0.00259  -0.00208   2.13103
   A181       1.88383   0.00001  -0.00559   0.00753   0.00200   1.88583
   A182       2.25648   0.00000  -0.00569   0.01871   0.01314   2.26963
   A183       2.58107   0.00000  -0.00475   0.01508   0.01043   2.59150
   A184       2.23866   0.00000  -0.00521   0.00597   0.00077   2.23943
   A185       2.30182   0.00000  -0.00213  -0.00408  -0.00662   2.29520
   A186       0.69210   0.00000   0.00027   0.00358   0.00364   0.69574
   A187       0.98333   0.00001   0.00057   0.00625   0.00666   0.98999
   A188       0.69907   0.00000  -0.00030  -0.00118  -0.00134   0.69773
   A189       2.13221   0.00000   0.00433   0.00307   0.00764   2.13985
   A190       1.74963   0.00000   0.00425  -0.00832  -0.00391   1.74572
   A191       1.42086   0.00000   0.00405  -0.00651  -0.00228   1.41858
   A192       1.11537   0.00001   0.00424  -0.01177  -0.00701   1.10836
   A193       1.63370   0.00000   0.00376  -0.00083   0.00312   1.63682
   A194       1.41929  -0.00001   0.00183  -0.00352  -0.00134   1.41795
   A195       0.66731   0.00001   0.00041   0.01044   0.01079   0.67811
   A196       2.26661   0.00000   0.00351  -0.00257   0.00104   2.26765
   A197       1.86724   0.00000   0.00338  -0.01551  -0.01213   1.85511
   A198       1.65124   0.00000   0.00327  -0.01159  -0.00828   1.64296
   A199       1.33075   0.00001   0.00332  -0.01144  -0.00777   1.32297
   A200       1.61589   0.00000   0.00289  -0.01040  -0.00744   1.60845
   A201       1.34791  -0.00001   0.00175  -0.01695  -0.01496   1.33295
   A202       0.71138   0.00001   0.00038  -0.00358  -0.00322   0.70816
   A203       2.64417   0.00000   0.00320  -0.00006   0.00306   2.64723
   A204       2.26108   0.00000   0.00346  -0.01173  -0.00842   2.25266
   A205       2.06452   0.00000   0.00389  -0.00485  -0.00106   2.06346
   A206       1.74414   0.00001   0.00394  -0.00539  -0.00120   1.74294
   A207       1.95062   0.00000   0.00262  -0.01128  -0.00881   1.94181
   A208       1.66786  -0.00001   0.00207  -0.02069  -0.01871   1.64915
   A209       0.83291   0.00001  -0.00026   0.00181   0.00160   0.83452
   A210       2.65604   0.00000  -0.00074  -0.00202  -0.00280   2.65324
   A211       2.37357   0.00001   0.00102  -0.00972  -0.00873   2.36484
   A212       2.29969   0.00001   0.00284  -0.00164   0.00120   2.30089
   A213       1.98362   0.00001   0.00303   0.00103   0.00434   1.98797
   A214       1.99454   0.00000   0.00029  -0.01164  -0.01141   1.98313
   A215       1.71828  -0.00001   0.00064  -0.02211  -0.02152   1.69676
   A216       1.93307   0.00000   0.00273   0.00324   0.00602   1.93909
   A217       1.56353   0.00000   0.00250  -0.00969  -0.00723   1.55630
   A218       1.49109   0.00000   0.00196  -0.00459  -0.00261   1.48848
   A219       1.19809   0.00000   0.00174   0.00228   0.00423   1.20232
   A220       1.24071  -0.00001   0.00243  -0.00682  -0.00436   1.23635
   A221       0.95968  -0.00001   0.00180  -0.01527  -0.01327   0.94641
   A222       0.72605   0.00000   0.00010   0.00938   0.00953   0.73558
   A223       1.01796  -0.00001   0.00005   0.01558   0.01545   1.03341
   A224       0.69762   0.00000   0.00029   0.01109   0.01143   0.70905
   A225       0.98117   0.00001   0.00064   0.02087   0.02150   1.00268
   A226       0.65821  -0.00001  -0.00011   0.00939   0.00926   0.66747
   A227       0.66155   0.00001  -0.00025   0.01351   0.01327   0.67482
   A228       0.70383   0.00000  -0.00014   0.01392   0.01378   0.71761
   A229       0.84855   0.00001  -0.00147   0.02389   0.02250   0.87104
   A230       0.75743   0.00000  -0.00030   0.02791   0.02746   0.78490
   A231       0.77868   0.00000  -0.00213   0.03778   0.03568   0.81436
   A232       1.59200  -0.00001  -0.00064   0.00631   0.00560   1.59760
   A233       1.85904   0.00003  -0.00079   0.04921   0.04830   1.90734
   A234       2.19033   0.00001   0.00002   0.00267   0.00265   2.19298
   A235       2.12927   0.00000   0.00012  -0.00929  -0.01010   2.11917
   A236       1.96320  -0.00001  -0.00015   0.00794   0.00763   1.97083
   A237       2.12318   0.00002  -0.00003   0.00066   0.00036   2.12355
   A238       2.12620  -0.00001  -0.00013   0.00003  -0.00005   2.12615
   A239       2.03285  -0.00001   0.00006   0.00002   0.00020   2.03305
   A240       1.83054   0.00002  -0.00328  -0.00895  -0.01220   1.81833
   A241       2.54343  -0.00001   0.00345  -0.00146   0.00196   2.54538
   A242       1.91360   0.00000   0.00029  -0.00350  -0.00349   1.91010
   A243       1.91729  -0.00001  -0.00047  -0.02428  -0.02490   1.89239
   A244       1.91662   0.00000   0.00027   0.00945   0.00971   1.92633
   A245       1.90963   0.00002   0.00028  -0.01044  -0.01031   1.89931
   A246       1.90822   0.00000  -0.00018   0.01058   0.01040   1.91862
   A247       1.89836  -0.00001  -0.00019   0.01842   0.01831   1.91667
   A248       1.28680   0.00001   0.00026  -0.01529  -0.01496   1.27185
   A249       1.90463   0.00001   0.00054  -0.01341  -0.01285   1.89178
   A250       1.90905   0.00000   0.00019  -0.00510  -0.00481   1.90424
   A251       1.92817  -0.00002  -0.00003  -0.00636  -0.00643   1.92174
   A252       1.91072   0.00000  -0.00045   0.00819   0.00750   1.91822
   A253       1.89789   0.00000  -0.00023   0.00838   0.00813   1.90602
   A254       1.91325   0.00000  -0.00003   0.00842   0.00835   1.92160
   A255       1.72343  -0.00001  -0.00095  -0.00135  -0.00224   1.72119
   A256       1.76321   0.00001  -0.00110   0.02175   0.02052   1.78373
   A257       2.19134   0.00000   0.00015  -0.00066  -0.00053   2.19081
   A258       2.12994   0.00000  -0.00019  -0.00547  -0.00572   2.12422
   A259       1.96169   0.00000   0.00004   0.00648   0.00645   1.96815
   A260       2.12534   0.00000   0.00063  -0.00922  -0.00857   2.11676
   A261       2.12369  -0.00001   0.00015  -0.02193  -0.02162   2.10207
   A262       2.03380   0.00001  -0.00083   0.03078   0.02965   2.06344
   A263       1.36145   0.00000   0.00494  -0.03348  -0.02843   1.33302
   A264       1.90085  -0.00001   0.00001   0.00302   0.00235   1.90319
   A265       1.93070   0.00002  -0.00038   0.01309   0.01282   1.94352
   A266       1.90963  -0.00001   0.00027  -0.01239  -0.01245   1.89718
   A267       1.89652   0.00000  -0.00029  -0.00187  -0.00209   1.89442
   A268       1.91454   0.00000   0.00059  -0.02104  -0.02000   1.89454
   A269       1.91150   0.00000  -0.00020   0.01884   0.01873   1.93023
   A270       2.67523   0.00001   0.00115   0.02089   0.02203   2.69727
   A271       1.68775  -0.00001  -0.00144  -0.01213  -0.01353   1.67422
   A272       1.92492   0.00000   0.00029   0.00402   0.00480   1.92972
   A273       1.91240   0.00000  -0.00041  -0.00496  -0.00545   1.90695
   A274       1.91420   0.00001   0.00059   0.00821   0.00846   1.92266
   A275       1.89376   0.00000  -0.00069   0.01229   0.01140   1.90516
   A276       1.91103   0.00000   0.00006  -0.00749  -0.00749   1.90354
   A277       1.90732   0.00000   0.00015  -0.01225  -0.01193   1.89539
   A278       1.81443   0.00002   0.00314   0.12140   0.12394   1.93837
   A279       1.74722   0.00001  -0.00253  -0.15427  -0.15686   1.59035
   A280       2.19004   0.00000  -0.00011   0.03022   0.02595   2.21598
   A281       2.13042  -0.00001   0.00004   0.02210   0.03016   2.16058
   A282       1.96265   0.00000   0.00007  -0.05251  -0.05631   1.90634
   A283       2.12291  -0.00001  -0.00036   0.00332   0.00209   2.12500
   A284       2.11516   0.00000  -0.00022   0.02078   0.02091   2.13607
   A285       2.04229   0.00001   0.00055  -0.02392  -0.02288   2.01940
   A286       2.70861  -0.00001   0.00428  -0.05881  -0.05463   2.65398
   A287       1.64994   0.00001  -0.00473   0.06304   0.05822   1.70816
   A288       1.92683  -0.00001   0.00041  -0.03373  -0.03269   1.89414
   A289       1.91477  -0.00001   0.00008   0.01926   0.01929   1.93405
   A290       1.91191   0.00001  -0.00020   0.01953   0.01748   1.92939
   A291       1.89108   0.00000   0.00011  -0.02483  -0.02505   1.86603
   A292       1.91258   0.00000   0.00009  -0.00550  -0.00521   1.90737
   A293       1.90645   0.00000  -0.00050   0.02542   0.02480   1.93125
   A294       1.35264   0.00000   0.00440  -0.00463  -0.00018   1.35246
   A295       1.15279   0.00003  -0.00238   0.00498   0.00237   1.15516
   A296       1.93340   0.00000   0.00009   0.01409   0.01398   1.94739
   A297       1.90741   0.00000   0.00013  -0.01565  -0.01534   1.89207
   A298       1.90158   0.00002   0.00006   0.00334   0.00343   1.90501
   A299       1.90940   0.00000   0.00010   0.01011   0.01024   1.91964
   A300       1.89845  -0.00002  -0.00023  -0.00798  -0.00821   1.89024
   A301       1.91349   0.00001  -0.00016  -0.00400  -0.00424   1.90924
   A302       1.64138   0.00001   0.00148  -0.00256  -0.00118   1.64019
   A303       1.81018  -0.00004  -0.00287  -0.02625  -0.02899   1.78119
   A304       2.18896   0.00000  -0.00003   0.00188   0.00166   2.19062
   A305       2.13029   0.00001  -0.00007   0.00651   0.00616   2.13645
   A306       1.96358  -0.00001   0.00009  -0.00921  -0.00916   1.95443
   A307       2.12523   0.00001   0.00001  -0.01857  -0.01840   2.10683
   A308       2.12409   0.00000   0.00063  -0.01595  -0.01538   2.10871
   A309       2.03032  -0.00001  -0.00066   0.03405   0.03327   2.06360
   A310       1.30203   0.00000   0.00035   0.01909   0.01934   1.32137
   A311       3.04744   0.00000  -0.00112   0.03092   0.02995   3.07739
   A312       1.91192   0.00000  -0.00017   0.01264   0.01268   1.92460
   A313       1.92930   0.00000   0.00023   0.00832   0.00887   1.93817
   A314       1.90163   0.00001  -0.00073   0.02533   0.02438   1.92601
   A315       1.91174   0.00000   0.00096  -0.04234  -0.04170   1.87003
   A316       1.91231   0.00000   0.00018  -0.02440  -0.02481   1.88750
   A317       1.89679  -0.00001  -0.00048   0.02049   0.01926   1.91606
   A318       1.78192  -0.00001  -0.00456  -0.03354  -0.03793   1.74399
   A319       1.91607  -0.00001   0.00035   0.00051   0.00073   1.91681
   A320       1.91337   0.00002  -0.00036   0.02219   0.02150   1.93487
   A321       1.92085  -0.00001   0.00017   0.00276   0.00303   1.92388
   A322       1.90752  -0.00002   0.00072  -0.03508  -0.03404   1.87348
   A323       1.91021   0.00001  -0.00058   0.01231   0.01173   1.92194
   A324       1.89563   0.00000  -0.00030  -0.00304  -0.00351   1.89212
   A325       2.93467  -0.00001  -0.00134  -0.00414  -0.00569   2.92897
   A326       3.37137   0.00001   0.00122  -0.01391  -0.01263   3.35874
   A327       3.08865   0.00000   0.00077  -0.01858  -0.01772   3.07093
   A328       3.20005   0.00000   0.00023  -0.00687  -0.00660   3.19345
   A329       3.27295   0.00000   0.00474  -0.01463  -0.00970   3.26325
   A330       3.26204   0.00000   0.00450   0.00548   0.01007   3.27210
   A331       3.69213   0.00000  -0.00513  -0.02123  -0.02620   3.66593
   A332       3.23439   0.00001   0.00389   0.02179   0.02577   3.26016
   A333       2.96441   0.00000  -0.00696   0.02343   0.01630   2.98071
   A334       2.90124   0.00000  -0.00543   0.02473   0.01912   2.92036
   A335       3.22923  -0.00001   0.00007   0.00212   0.00222   3.23145
   A336       3.07592  -0.00001  -0.00067  -0.00756  -0.00830   3.06763
   A337       3.10378   0.00000  -0.00058  -0.00089  -0.00175   3.10203
   A338       3.04837   0.00001   0.00121  -0.00472  -0.00340   3.04497
    D1        2.75833   0.00000   0.00006   0.00212   0.00211   2.76044
    D2       -1.36075   0.00000  -0.00022   0.00565   0.00544  -1.35531
    D3        2.78140   0.00000  -0.00142   0.00369   0.00222   2.78362
    D4       -1.33768   0.00000  -0.00170   0.00722   0.00554  -1.33214
    D5        1.66080   0.00000   0.00021  -0.00306  -0.00290   1.65791
    D6       -2.45828   0.00000  -0.00007   0.00047   0.00043  -2.45785
    D7        1.84083   0.00000  -0.00006   0.00719   0.00711   1.84794
    D8       -2.27825   0.00000  -0.00034   0.01071   0.01044  -2.26782
    D9        0.29328  -0.00001  -0.00927   0.00657  -0.00269   0.29059
   D10        2.45739  -0.00001  -0.00956   0.01010   0.00064   2.45802
   D11        0.01511   0.00000  -0.00618  -0.00005  -0.00628   0.00882
   D12        2.17921   0.00000  -0.00646   0.00348  -0.00296   2.17625
   D13       -0.45298  -0.00001  -0.00531  -0.01810  -0.02356  -0.47654
   D14        1.71112  -0.00001  -0.00559  -0.01457  -0.02023   1.69089
   D15       -0.56843  -0.00001  -0.00318  -0.02197  -0.02502  -0.59344
   D16        1.59568  -0.00001  -0.00346  -0.01844  -0.02169   1.57399
   D17        0.20324   0.00001  -0.00274   0.01007   0.00737   0.21061
   D18        2.36734   0.00001  -0.00302   0.01360   0.01070   2.37804
   D19        0.14006   0.00000  -0.00120   0.01137   0.01019   0.15025
   D20        2.30417   0.00000  -0.00148   0.01490   0.01352   2.31769
   D21        2.39266   0.00000   0.00019   0.00096   0.00086   2.39352
   D22       -1.72642   0.00000  -0.00009   0.00449   0.00419  -1.72223
   D23        2.15183   0.00000   0.00179   0.00828   0.00995   2.16178
   D24       -1.96725   0.00000   0.00151   0.01181   0.01328  -1.95397
   D25        1.70684   0.00000   0.00030  -0.00056  -0.00022   1.70662
   D26       -2.41224   0.00000   0.00002   0.00297   0.00311  -2.40914
   D27        1.39946  -0.00001  -0.00015  -0.00399  -0.00418   1.39528
   D28       -2.71962  -0.00001  -0.00043  -0.00047  -0.00085  -2.72047
   D29        2.36768   0.00001   0.00510   0.00309   0.00804   2.37572
   D30       -1.75140   0.00001   0.00482   0.00662   0.01137  -1.74003
   D31       -1.74662   0.00000   0.00376   0.00344   0.00715  -1.73947
   D32        0.41748   0.00000   0.00348   0.00696   0.01048   0.42797
   D33       -2.09689   0.00000   0.00387  -0.00730  -0.00356  -2.10045
   D34        0.06722   0.00000   0.00359  -0.00377  -0.00023   0.06698
   D35       -2.47243   0.00000   0.00364  -0.00591  -0.00236  -2.47479
   D36       -0.30833   0.00000   0.00336  -0.00238   0.00096  -0.30736
   D37       -2.76117   0.00001   0.00423  -0.01336  -0.00893  -2.77010
   D38       -0.59707   0.00001   0.00395  -0.00983  -0.00560  -0.60267
   D39       -2.12211  -0.00001   0.00421   0.00069   0.00477  -2.11734
   D40        0.04199  -0.00001   0.00393   0.00422   0.00810   0.05009
   D41       -2.36427  -0.00002   0.00324  -0.00550  -0.00225  -2.36652
   D42       -0.20016  -0.00002   0.00296  -0.00197   0.00108  -0.19908
   D43        1.26349   0.00001   0.00198   0.00310   0.00504   1.26853
   D44       -1.93704   0.00001   0.00160   0.00831   0.00986  -1.92718
   D45        2.45581   0.00000   0.00210   0.00464   0.00671   2.46252
   D46       -0.74472   0.00000   0.00172   0.00985   0.01153  -0.73320
   D47        2.94033   0.00001   0.00202   0.00996   0.01199   2.95232
   D48       -0.26020   0.00001   0.00164   0.01517   0.01680  -0.24339
   D49        2.87283  -0.00002   0.00559   0.01437   0.02009   2.89292
   D50       -0.32770  -0.00002   0.00521   0.01958   0.02490  -0.30280
   D51        2.02926   0.00001  -0.00512   0.00022  -0.00500   2.02426
   D52       -1.17127   0.00001  -0.00550   0.00542  -0.00018  -1.17145
   D53        1.12626  -0.00002  -0.00819  -0.03652  -0.04461   1.08166
   D54       -2.07427  -0.00002  -0.00857  -0.03131  -0.03979  -2.11406
   D55        1.00400  -0.00001  -0.00203  -0.02825  -0.02955   0.97445
   D56       -2.19653  -0.00001  -0.00240  -0.02304  -0.02474  -2.22127
   D57        2.01870   0.00001   0.00113   0.01144   0.01268   2.03137
   D58       -1.18183   0.00001   0.00075   0.01664   0.01750  -1.16434
   D59        1.82553   0.00001   0.00208   0.01092   0.01308   1.83861
   D60       -1.37500   0.00001   0.00171   0.01612   0.01789  -1.35711
   D61       -2.28509   0.00000   0.00231   0.00197   0.00396  -2.28113
   D62        0.79757   0.00000   0.00193   0.00717   0.00877   0.80634
   D63       -2.41465   0.00000   0.00411   0.00806   0.01206  -2.40259
   D64        0.66800   0.00000   0.00373   0.01327   0.01687   0.68488
   D65       -2.81699   0.00000   0.00401   0.00344   0.00747  -2.80952
   D66        0.26567   0.00000   0.00364   0.00864   0.01228   0.27795
   D67       -2.98958   0.00000   0.00541  -0.00026   0.00508  -2.98450
   D68        0.09308  -0.00001   0.00503   0.00495   0.00989   0.10297
   D69       -2.13420   0.00001   0.00540   0.00232   0.00765  -2.12654
   D70        0.94846   0.00001   0.00502   0.00752   0.01247   0.96093
   D71       -0.15496   0.00000   0.00779   0.00561   0.01338  -0.14158
   D72        2.92769   0.00000   0.00741   0.01081   0.01820   2.94589
   D73       -0.55373   0.00000   0.00767  -0.00752   0.00004  -0.55369
   D74        2.52892   0.00000   0.00730  -0.00231   0.00486   2.53378
   D75       -0.72169   0.00000   0.00740  -0.00405   0.00326  -0.71844
   D76        2.36096   0.00000   0.00702   0.00115   0.00807   2.36903
   D77       -1.05983   0.00001   0.00731  -0.00395   0.00346  -1.05638
   D78        2.02282   0.00001   0.00694   0.00126   0.00827   2.03109
   D79       -0.83837   0.00000   0.00776  -0.00373   0.00397  -0.83440
   D80        2.24428   0.00000   0.00738   0.00147   0.00879   2.25307
   D81       -1.14160  -0.00001   0.00731  -0.01483  -0.00754  -1.14914
   D82        1.94106  -0.00001   0.00693  -0.00962  -0.00273   1.93833
   D83       -1.53172   0.00000   0.00000  -0.00181  -0.00175  -1.53348
   D84       -2.60891   0.00000  -0.00017   0.00634   0.00623  -2.60267
   D85       -2.94649   0.00000  -0.00138   0.01370   0.01241  -2.93407
   D86        0.73319  -0.00001  -0.00113   0.01036   0.00932   0.74251
   D87        0.30683   0.00000  -0.00231   0.00508   0.00282   0.30965
   D88       -0.07820  -0.00001  -0.00594  -0.00838  -0.01458  -0.09278
   D89       -0.41233  -0.00001  -0.00449  -0.02100  -0.02561  -0.43794
   D90        0.18541   0.00001   0.00043   0.01060   0.01120   0.19661
   D91       -0.05106   0.00001   0.00134   0.00853   0.01006  -0.04100
   D92        2.39711   0.00000  -0.00039   0.00329   0.00280   2.39991
   D93        2.05176   0.00000   0.00075   0.00827   0.00902   2.06078
   D94        1.65539   0.00000  -0.00003   0.00048   0.00059   1.65599
   D95        1.37066  -0.00001   0.00064  -0.00200  -0.00128   1.36937
   D96        2.05977   0.00000   0.00260   0.00407   0.00668   2.06646
   D97       -1.88590  -0.00001   0.00588   0.00727   0.01319  -1.87271
   D98       -2.42649   0.00000   0.00727  -0.01017  -0.00294  -2.42943
   D99       -2.64544   0.00000   0.00524  -0.00240   0.00287  -2.64258
   D100      -2.97546   0.00001   0.00496   0.00303   0.00815  -2.96730
   D101      -2.89729   0.00000   0.01061  -0.01312  -0.00259  -2.89988
   D102       2.84857  -0.00001   0.00984  -0.03862  -0.02904   2.81953
   D103      -2.87485   0.00000   0.01006  -0.00827   0.00177  -2.87308
   D104       1.22278   0.00000   0.01096  -0.00904   0.00190   1.22468
   D105       2.82741   0.00001   0.00631  -0.00663  -0.00040   2.82701
   D106       0.64186   0.00001   0.00720  -0.00739  -0.00027   0.64159
   D107       2.31076   0.00002   0.00008  -0.01291  -0.01298   2.29779
   D108       0.12521   0.00002   0.00097  -0.01368  -0.01285   0.11236
   D109       1.73149   0.00002  -0.00583  -0.00229  -0.00807   1.72343
   D110      -0.45406   0.00002  -0.00494  -0.00305  -0.00794  -0.46200
   D111       2.60101   0.00000   0.00367  -0.00585  -0.00220   2.59880
   D112       0.41545   0.00000   0.00456  -0.00661  -0.00208   0.41338
   D113       2.26164  -0.00001   0.00253  -0.00958  -0.00712   2.25452
   D114       0.07609   0.00000   0.00342  -0.01034  -0.00699   0.06910
   D115      -1.61165   0.00001  -0.00107   0.01316   0.01204  -1.59961
   D116       2.48598   0.00001  -0.00018   0.01240   0.01217   2.49815
   D117      -1.77030   0.00000   0.00012   0.01092   0.01082  -1.75948
   D118       2.32733   0.00001   0.00101   0.01016   0.01095   2.33828
   D119      -2.73481  -0.00002  -0.00022  -0.01463  -0.01479  -2.74960
   D120       1.36282  -0.00002   0.00067  -0.01539  -0.01466   1.34816
   D121      -2.69392  -0.00001   0.00059  -0.01511  -0.01443  -2.70835
   D122       1.40371  -0.00001   0.00148  -0.01588  -0.01430   1.38941
   D123       1.33587   0.00000   0.00097  -0.00365  -0.00235   1.33352
   D124      -0.84969   0.00000   0.00186  -0.00441  -0.00222  -0.85191
   D125       1.30877  -0.00001   0.00203  -0.00732  -0.00519   1.30358
   D126      -0.87678   0.00000   0.00292  -0.00809  -0.00506  -0.88184
   D127       1.66692   0.00000   0.00286  -0.00354  -0.00063   1.66628
   D128      -0.51864   0.00000   0.00375  -0.00430  -0.00051  -0.51914
   D129       1.78975   0.00000   0.00213   0.00271   0.00499   1.79474
   D130      -0.39581   0.00000   0.00302   0.00195   0.00512  -0.39069
   D131       0.91032  -0.00001   0.00307  -0.00154   0.00158   0.91190
   D132      -1.27523   0.00000   0.00396  -0.00230   0.00171  -1.27353
   D133      -0.94929  -0.00001  -0.00196  -0.00379  -0.00578  -0.95507
   D134      -3.13484   0.00000  -0.00107  -0.00455  -0.00565  -3.14049
   D135      -0.52660  -0.00001  -0.00284   0.00998   0.00717  -0.51942
   D136      -2.71215   0.00000  -0.00195   0.00922   0.00730  -2.70485
   D137      -0.24441  -0.00001  -0.00562   0.01030   0.00467  -0.23974
   D138      -2.42996  -0.00001  -0.00473   0.00953   0.00480  -2.42517
   D139       0.15858  -0.00002  -0.00646   0.01540   0.00872   0.16731
   D140      -2.02697  -0.00002  -0.00557   0.01464   0.00885  -2.01812
   D141      -0.30466   0.00000  -0.00167   0.00109  -0.00056  -0.30523
   D142      -2.49022   0.00000  -0.00078   0.00032  -0.00043  -2.49065
   D143      -0.05132   0.00001   0.00019   0.00635   0.00651  -0.04481
   D144      -2.23688   0.00001   0.00108   0.00559   0.00664  -2.23024
   D145      -2.45349   0.00000   0.00806   0.00420   0.01234  -2.44114
   D146      -2.69551   0.00002   0.01062   0.01514   0.02598  -2.66952
   D147      -2.35956   0.00002   0.01495   0.03091   0.04564  -2.31392
   D148       3.02811   0.00001   0.00934   0.00330   0.01289   3.04099
   D149       2.64452   0.00000   0.00915   0.00047   0.01003   2.65455
   D150       1.51163   0.00002  -0.00180   0.00490   0.00290   1.51453
   D151       2.61428  -0.00002  -0.00125  -0.01475  -0.01574   2.59854
   D152       2.99192  -0.00001  -0.00044  -0.01835  -0.01841   2.97351
   D153       1.19183  -0.00001   0.00042  -0.02615  -0.02566   1.16617
   D154       1.25353   0.00000   0.00119  -0.02036  -0.01937   1.23416
   D155       1.64674   0.00000   0.00244  -0.01177  -0.00946   1.63727
   D156       1.71832   0.00001   0.00121  -0.00485  -0.00365   1.71467
   D157       0.90263   0.00000   0.00126  -0.00847  -0.00731   0.89533
   D158      -0.97980   0.00000   0.00035  -0.00780  -0.00764  -0.98744
   D159      -0.65535   0.00000   0.00044   0.00544   0.00590  -0.64944
   D160      -0.69937   0.00000  -0.00051  -0.00057  -0.00118  -0.70055
   D161      -0.39630  -0.00001  -0.00220  -0.01237  -0.01490  -0.41121
   D162      -0.27381   0.00001   0.00122   0.00745   0.00884  -0.26497
   D163       0.00369   0.00001   0.00081   0.01872   0.01978   0.02347
   D164      -1.26450   0.00000   0.00916  -0.00915  -0.00010  -1.26460
   D165       1.68017   0.00000   0.00649   0.00030   0.00667   1.68684
   D166      -1.63563   0.00000   0.00896  -0.00613   0.00272  -1.63291
   D167       1.30904   0.00000   0.00628   0.00332   0.00948   1.31852
   D168      -1.71319   0.00000   0.00926  -0.01048  -0.00137  -1.71456
   D169       1.23148   0.00000   0.00659  -0.00103   0.00539   1.23687
   D170      -1.97539   0.00000   0.00666  -0.00325   0.00328  -1.97211
   D171       0.96928   0.00000   0.00399   0.00620   0.01004   0.97933
   D172      -1.98618   0.00000   0.00864  -0.00658   0.00201  -1.98417
   D173       0.95849   0.00000   0.00597   0.00287   0.00878   0.96726
   D174      -2.28949   0.00000   0.00830  -0.00656   0.00167  -2.28782
   D175       0.65518   0.00000   0.00562   0.00289   0.00844   0.66362
   D176       1.97642  -0.00002   0.00149  -0.01453  -0.01299   1.96344
   D177      -1.36209  -0.00002  -0.00118  -0.00508  -0.00622  -1.36831
   D178       0.83114  -0.00001   0.00120  -0.01657  -0.01504   0.81610
   D179      -2.50737  -0.00001  -0.00147  -0.00712  -0.00827  -2.51565
   D180       0.36873  -0.00002   0.00187  -0.01512  -0.01316   0.35557
   D181      -2.96978  -0.00002  -0.00080  -0.00567  -0.00640  -2.97618
   D182      -3.09768  -0.00001   0.00481  -0.00532  -0.00037  -3.09806
   D183      -0.15301  -0.00001   0.00213   0.00413   0.00639  -0.14662
   D184       2.92119   0.00000   0.00507  -0.00837  -0.00327   2.91792
   D185      -0.41732   0.00000   0.00240   0.00108   0.00349  -0.41383
   D186       3.07607   0.00001   0.00594  -0.01259  -0.00669   3.06938
   D187      -0.26244   0.00001   0.00327  -0.00314   0.00008  -0.26236
   D188       2.97855   0.00001   0.00499  -0.01242  -0.00745   2.97110
   D189      -0.35996   0.00001   0.00231  -0.00297  -0.00069  -0.36065
   D190       2.47567   0.00000   0.00517  -0.00337   0.00175   2.47742
   D191      -0.86285   0.00000   0.00250   0.00608   0.00852  -0.85433
   D192       0.35973   0.00000   0.00500  -0.00808  -0.00314   0.35659
   D193      -2.97878   0.00000   0.00233   0.00137   0.00362  -2.97516
   D194       0.66634   0.00001   0.00423   0.00782   0.01221   0.67855
   D195      -2.67217   0.00001   0.00155   0.01727   0.01898  -2.65320
   D196       0.47999   0.00002   0.00612   0.00047   0.00681   0.48679
   D197      -2.85853   0.00002   0.00345   0.00992   0.01357  -2.84495
   D198       1.12155   0.00001   0.00293   0.00760   0.01043   1.13198
   D199      -2.21696   0.00001   0.00025   0.01705   0.01719  -2.19977
   D200       1.44796   0.00002   0.00280   0.01668   0.01914   1.46710
   D201      -1.89055   0.00002   0.00013   0.02613   0.02590  -1.86465
   D202       1.60304   0.00000  -0.00360   0.00195  -0.00225   1.60080
   D203      -0.61121   0.00000  -0.00381  -0.00367  -0.00685  -0.61806
   D204       1.67110   0.00000  -0.00349   0.00072  -0.00347   1.66763
   D205      -0.54315  -0.00001  -0.00369  -0.00491  -0.00808  -0.55122
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   D207      -0.86681   0.00000  -0.00373  -0.00253  -0.00578  -0.87259
   D208       1.18079   0.00001  -0.00210   0.00561   0.00265   1.18344
   D209      -1.03346   0.00001  -0.00230  -0.00001  -0.00195  -1.03541
   D210       2.10078   0.00000  -0.00359   0.00362  -0.00067   2.10011
   D211      -0.11347  -0.00001  -0.00379  -0.00200  -0.00527  -0.11874
   D212       2.21577   0.00000  -0.00347  -0.00399  -0.00828   2.20749
   D213       0.00152  -0.00001  -0.00367  -0.00962  -0.01288  -0.01136
   D214      -2.21840   0.00000   0.00421   0.00784   0.01130  -2.20710
   D215       1.85053   0.00000   0.00401   0.00222   0.00670   1.85723
   D216      -2.38930   0.00001   0.00322   0.00782   0.01018  -2.37912
   D217       1.67964   0.00000   0.00302   0.00219   0.00558   1.68521
   D218      -2.00496   0.00002   0.00293   0.03151   0.03376  -1.97120
   D219       2.06398   0.00001   0.00273   0.02589   0.02916   2.09313
   D220      -2.12544   0.00002   0.00277   0.05222   0.05590  -2.06955
   D221       1.94349   0.00001   0.00257   0.04660   0.05129   1.99479
   D222      -2.88391   0.00001   0.00249   0.00149   0.00328  -2.88063
   D223       1.18503   0.00001   0.00229  -0.00413  -0.00133   1.18370
   D224       3.06300   0.00001   0.00181  -0.00256  -0.00134   3.06166
   D225       0.84875   0.00000   0.00161  -0.00818  -0.00594   0.84281
   D226      -2.71274   0.00000   0.00067   0.01198   0.01222  -2.70051
   D227       1.35620  -0.00001   0.00047   0.00636   0.00762   1.36382
   D228      -2.65219   0.00000   0.00228   0.00719   0.00888  -2.64330
   D229       1.41675  -0.00001   0.00208   0.00156   0.00428   1.42103
   D230      -1.56379   0.00001   0.00136   0.00394   0.00490  -1.55889
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   D232      -0.09064   0.00001   0.00040   0.00478   0.00467  -0.08597
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   D234      -0.22146   0.00001  -0.00009  -0.00180  -0.00252  -0.22398
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   D249      -0.60590   0.00000  -0.00490  -0.00186  -0.00690  -0.61280
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   D254      -3.07695  -0.00001   0.00033  -0.01391  -0.01353  -3.09049
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   D260      -0.73673   0.00000   0.00223   0.01050   0.01275  -0.72398
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   D264      -1.30254   0.00001   0.00419  -0.00744  -0.00333  -1.30588
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   D266      -1.54257   0.00000   0.00374  -0.01150  -0.00783  -1.55040
   D267       1.36573   0.00000  -0.00073  -0.00979  -0.01067   1.35507
   D268       1.98196  -0.00001   0.00251   0.00232   0.00505   1.98701
   D269      -1.39292  -0.00001  -0.00196   0.00403   0.00222  -1.39071
   D270       0.86393   0.00000   0.00351   0.00408   0.00746   0.87140
   D271      -2.51095   0.00000  -0.00096   0.00580   0.00463  -2.50632
   D272       0.90460   0.00001  -0.00437  -0.01730  -0.02164   0.88295
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   D277      -1.80793   0.00000  -0.00434  -0.00260  -0.00699  -1.81491
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   D279      -1.81803   0.00000  -0.00440   0.01590   0.01130  -1.80673
   D280       0.79616   0.00000  -0.00074  -0.01596  -0.01656   0.77960
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   D285      -2.65240  -0.00001  -0.01101  -0.00600  -0.01692  -2.66932
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   D287      -2.58898  -0.00001  -0.00874  -0.00627  -0.01501  -2.60399
   D288       1.31693   0.00000  -0.00618   0.00056  -0.00561   1.31132
   D289      -2.90041   0.00000  -0.00796  -0.00380  -0.01174  -2.91215
   D290       1.22918   0.00001  -0.00418   0.00079  -0.00341   1.22577
   D291      -2.98816   0.00000  -0.00596  -0.00357  -0.00954  -2.99770
   D292       2.02576  -0.00001  -0.00604   0.00108  -0.00495   2.02081
   D293      -2.19158  -0.00001  -0.00782  -0.00328  -0.01109  -2.20267
   D294       2.00914   0.00000  -0.00496  -0.00571  -0.01072   1.99842
   D295      -2.20820  -0.00001  -0.00674  -0.01008  -0.01686  -2.22505
   D296      -2.28794   0.00000   0.00223   0.00312   0.00532  -2.28262
   D297      -0.22210   0.00000   0.00045  -0.00124  -0.00082  -0.22291
   D298      -2.26801   0.00000   0.00094   0.00388   0.00477  -2.26324
   D299      -0.20217   0.00000  -0.00084  -0.00048  -0.00136  -0.20353
   D300      -1.88230   0.00001   0.00016   0.01934   0.01951  -1.86279
   D301       0.18355   0.00001  -0.00162   0.01497   0.01337   0.19692
   D302      -1.82176   0.00001   0.00020   0.02670   0.02691  -1.79485
   D303       0.24408   0.00001  -0.00158   0.02234   0.02078   0.26486
   D304      -2.61745   0.00000   0.00003  -0.00651  -0.00651  -2.62396
   D305      -0.55161   0.00000  -0.00175  -0.01088  -0.01264  -0.56425
   D306      -2.74291   0.00000  -0.00050  -0.01240  -0.01289  -2.75580
   D307      -0.67707   0.00000  -0.00228  -0.01676  -0.01902  -0.69609
   D308       1.52664   0.00000  -0.00171   0.00156   0.00017   1.52681
   D309      -2.69070   0.00000  -0.00349  -0.00280  -0.00596  -2.69666
   D310       2.62784   0.00000  -0.00132   0.01115   0.00974   2.63759
   D311      -1.58949  -0.00001  -0.00310   0.00678   0.00361  -1.58588
   D312       3.01475   0.00000  -0.00018   0.01147   0.01117   3.02593
   D313      -1.20259   0.00000  -0.00196   0.00710   0.00504  -1.19755
   D314      -0.49300   0.00000  -0.00541   0.00027  -0.00512  -0.49813
   D315       1.57284   0.00000  -0.00719  -0.00409  -0.01126   1.56158
   D316      -0.33324   0.00000  -0.00548   0.00237  -0.00310  -0.33634
   D317       1.73261   0.00000  -0.00726  -0.00200  -0.00923   1.72338
   D318       0.09413   0.00000  -0.00566   0.00633   0.00073   0.09486
   D319       2.15998   0.00000  -0.00744   0.00196  -0.00541   2.15457
   D320       0.22802   0.00000  -0.00637   0.02234   0.01578   0.24380
   D321       2.29387  -0.00001  -0.00815   0.01798   0.00965   2.30351
   D322      -0.58028   0.00000  -0.00536  -0.00898  -0.01429  -0.59457
   D323       1.48557   0.00000  -0.00714  -0.01335  -0.02042   1.46514
   D324      -0.62288   0.00000  -0.00292  -0.02114  -0.02437  -0.64725
   D325       1.44297  -0.00001  -0.00470  -0.02551  -0.03050   1.41247
   D326       0.09261   0.00000  -0.00021   0.00003  -0.00016   0.09244
   D327       2.26378   0.00000  -0.00051  -0.00058  -0.00106   2.26273
   D328       0.39526   0.00000  -0.00141  -0.00423  -0.00559   0.38968
   D329       2.56644   0.00000  -0.00171  -0.00485  -0.00648   2.55996
   D330       0.76505   0.00000  -0.00074  -0.00543  -0.00615   0.75890
   D331       2.93623   0.00000  -0.00104  -0.00604  -0.00705   2.92918
   D332       1.04534  -0.00001  -0.00077  -0.01157  -0.01231   1.03302
   D333      -3.06667  -0.00001  -0.00106  -0.01218  -0.01321  -3.07988
   D334       0.32533   0.00000  -0.00394  -0.00614  -0.01004   0.31529
   D335       2.49650   0.00001  -0.00423  -0.00675  -0.01093   2.48557
   D336       0.71506   0.00000  -0.00690  -0.00016  -0.00701   0.70805
   D337       2.88624   0.00001  -0.00719  -0.00078  -0.00791   2.87833
   D338      -2.32360   0.00000  -0.00072  -0.00967  -0.01034  -2.33394
   D339      -0.15243   0.00001  -0.00102  -0.01029  -0.01124  -0.16366
   D340      -1.94790  -0.00001  -0.00120  -0.00650  -0.00765  -1.95555
   D341       0.22328  -0.00001  -0.00149  -0.00711  -0.00855   0.21473
   D342      -1.89381  -0.00001  -0.00038  -0.00968  -0.01016  -1.90397
   D343       0.27737   0.00000  -0.00067  -0.01030  -0.01105   0.26631
   D344      -1.59111   0.00000   0.00001   0.00089   0.00111  -1.59001
   D345       0.58006   0.00000  -0.00029   0.00028   0.00021   0.58027
   D346      -1.58435  -0.00001  -0.00233  -0.00410  -0.00646  -1.59081
   D347       0.58682  -0.00001  -0.00263  -0.00472  -0.00735   0.57947
   D348      -1.28376  -0.00001  -0.00271   0.00155  -0.00119  -1.28495
   D349       0.88742   0.00000  -0.00300   0.00094  -0.00209   0.88533
   D350       1.86755   0.00000  -0.00160  -0.00426  -0.00599   1.86155
   D351      -2.24446   0.00000  -0.00190  -0.00488  -0.00689  -2.25135
   D352       2.31112  -0.00001  -0.00004  -0.00482  -0.00491   2.30621
   D353      -1.80089  -0.00001  -0.00034  -0.00544  -0.00580  -1.80669
   D354       2.59362  -0.00002   0.00442   0.01065   0.01498   2.60860
   D355      -1.51839  -0.00001   0.00412   0.01003   0.01408  -1.50430
   D356      -3.05755   0.00001   0.00724   0.01427   0.02135  -3.03620
   D357      -0.88638   0.00001   0.00694   0.01366   0.02046  -0.86592
   D358       2.62201   0.00000  -0.00105  -0.00435  -0.00535   2.61666
   D359      -1.49000   0.00000  -0.00135  -0.00497  -0.00625  -1.49625
   D360       1.63975   0.00000  -0.00056  -0.00162  -0.00221   1.63754
   D361      -2.47226   0.00000  -0.00086  -0.00223  -0.00311  -2.47537
   D362       1.81467  -0.00001  -0.00058  -0.02148  -0.02189   1.79278
   D363      -2.29734   0.00000  -0.00088  -0.02209  -0.02279  -2.32012
   D364       2.75073   0.00000  -0.00107   0.00732   0.00608   2.75681
   D365      -1.36128   0.00000  -0.00137   0.00671   0.00519  -1.35609
   D366       2.74998   0.00000  -0.00341   0.01357   0.01017   2.76015
   D367      -1.36203   0.00000  -0.00370   0.01296   0.00928  -1.35276
   D368       0.06284   0.00001  -0.00267   0.00648   0.00382   0.06665
   D369      -2.39049   0.00001  -0.01006   0.00290  -0.00719  -2.39768
   D370       0.46252   0.00000  -0.00247   0.00176  -0.00070   0.46183
   D371      -1.99081   0.00000  -0.00986  -0.00182  -0.01170  -2.00251
   D372       0.67764   0.00000  -0.00076  -0.00029  -0.00105   0.67659
   D373      -1.77569   0.00000  -0.00815  -0.00387  -0.01205  -1.78775
   D374       0.94894  -0.00001   0.00063  -0.00740  -0.00676   0.94218
   D375      -1.50439   0.00000  -0.00675  -0.01098  -0.01776  -1.52216
   D376       0.70216   0.00000  -0.00439   0.00562   0.00128   0.70343
   D377      -1.75117   0.00000  -0.01177   0.00204  -0.00973  -1.76090
   D378       1.04397   0.00000  -0.00410   0.00552   0.00144   1.04540
   D379      -1.40937   0.00000  -0.01149   0.00194  -0.00957  -1.41893
   D380      -2.72540   0.00001   0.00575  -0.00914  -0.00327  -2.72867
   D381       1.10446   0.00002  -0.00164  -0.01272  -0.01428   1.09018
   D382      -2.18814  -0.00001   0.00331  -0.00409  -0.00063  -2.18877
   D383       1.64172  -0.00001  -0.00408  -0.00767  -0.01164   1.63008
   D384      -1.95043   0.00000   0.00231   0.00183   0.00425  -1.94618
   D385       1.87942   0.00000  -0.00508  -0.00175  -0.00675   1.87267
   D386      -1.62310   0.00001   0.00113   0.00989   0.01122  -1.61189
   D387       2.20675   0.00001  -0.00626   0.00631   0.00021   2.20696
   D388      -1.70474  -0.00002  -0.00183  -0.00377  -0.00582  -1.71056
   D389       2.12512  -0.00002  -0.00921  -0.00735  -0.01683   2.10829
   D390      -1.13825  -0.00001  -0.00626   0.02112   0.01506  -1.12319
   D391       2.69160  -0.00001  -0.01365   0.01754   0.00406   2.69566
   D392       1.80030   0.00000  -0.00138   0.00362   0.00216   1.80246
   D393      -0.65303   0.00000  -0.00877   0.00004  -0.00885  -0.66188
   D394       2.10525   0.00000  -0.00095   0.00451   0.00357   2.10882
   D395      -0.34808   0.00000  -0.00834   0.00093  -0.00743  -0.35551
   D396       2.06355   0.00000   0.00000   0.00910   0.00908   2.07263
   D397      -0.38978   0.00000  -0.00739   0.00552  -0.00192  -0.39170
   D398       2.28164   0.00000   0.00320   0.00776   0.01086   2.29250
   D399      -0.17169   0.00000  -0.00419   0.00418  -0.00015  -0.17184
   D400       2.50080   0.00000  -0.00174   0.00270   0.00104   2.50183
   D401       0.04747   0.00000  -0.00913  -0.00088  -0.00997   0.03750
   D402      -1.53585   0.00000   0.00015   0.00605   0.00624  -1.52961
   D403       2.29400   0.00001  -0.00723   0.00247  -0.00476   2.28924
   D404      -2.63223  -0.00001  -0.00035   0.00362   0.00324  -2.62900
   D405       1.19762   0.00000  -0.00773   0.00004  -0.00777   1.18985
   D406      -2.98248  -0.00001  -0.00235   0.00246   0.00028  -2.98220
   D407       0.84737  -0.00001  -0.00974  -0.00112  -0.01072   0.83665
   D408       1.91547   0.00001   0.00184  -0.00340  -0.00154   1.91393
   D409       2.41288   0.00000   0.00024  -0.00528  -0.00503   2.40784
   D410       2.64599   0.00000   0.00234  -0.00594  -0.00359   2.64240
   D411       2.87930   0.00000   0.00418  -0.01249  -0.00830   2.87100
   D412       2.84179   0.00000  -0.00493   0.00795   0.00315   2.84494
   D413      -2.93967   0.00000  -0.00112   0.00258   0.00138  -2.93829
   D414      -0.73702   0.00001   0.00719  -0.01202  -0.00481  -0.74183
   D415      -0.35826  -0.00001   0.00727  -0.00889  -0.00153  -0.35979
   D416      -0.04277   0.00000   0.00774   0.00215   0.01017  -0.03260
   D417       0.26465   0.00001   0.00754   0.01208   0.01994   0.28459
   D418      -0.23172  -0.00001   0.00659  -0.01957  -0.01302  -0.24474
   D419       0.07397  -0.00001   0.00561  -0.01882  -0.01336   0.06061
   D420      -2.54839   0.00000   0.00462  -0.00560  -0.00092  -2.54930
   D421      -2.16673   0.00000   0.00456  -0.00858  -0.00408  -2.17082
   D422      -1.91409   0.00000   0.00601   0.00298   0.00879  -1.90530
   D423      -1.59733   0.00000   0.00710   0.00384   0.01076  -1.58657
   D424      -1.96084   0.00000   0.00310  -0.01075  -0.00762  -1.96846
   D425       1.30797   0.00000   0.00284   0.00093   0.00357   1.31154
   D426       2.47445   0.00000   0.00290  -0.00238   0.00051   2.47496
   D427       2.95076  -0.00001   0.00298  -0.01716  -0.01395   2.93681
   D428      -3.06819   0.00000   0.00142  -0.02858  -0.02703  -3.09522
   D429       0.02492   0.00002  -0.00111  -0.01034  -0.01132   0.01360
   D430       0.04413   0.00002   0.00123   0.02224   0.02344   0.06756
   D431       3.13723   0.00003  -0.00130   0.04048   0.03915  -3.10680
   D432      -0.09099   0.00000   0.00182   0.03878   0.04049  -0.05050
   D433       2.00812   0.00002   0.00205   0.00857   0.01081   2.01894
   D434      -2.18794   0.00000   0.00169   0.02206   0.02374  -2.16421
   D435       3.09663  -0.00001   0.00422   0.02147   0.02558   3.12221
   D436      -1.08745   0.00001   0.00446  -0.00875  -0.00409  -1.09154
   D437       0.99967  -0.00001   0.00410   0.00474   0.00883   1.00850
   D438      -2.36570  -0.00001   0.00208  -0.01337  -0.01119  -2.37689
   D439      -0.27581   0.00000   0.00197  -0.01455  -0.01258  -0.28839
   D440       1.83172  -0.00001   0.00204  -0.01140  -0.00936   1.82236
   D441       0.72978   0.00000  -0.00033   0.00400   0.00376   0.73354
   D442       2.81968   0.00002  -0.00044   0.00282   0.00236   2.82204
   D443      -1.35598   0.00001  -0.00036   0.00597   0.00558  -1.35039
   D444       0.00048   0.00000   0.00004   0.01260   0.01248   0.01297
   D445       3.11229   0.00000  -0.00208  -0.00229  -0.00427   3.10801
   D446      -3.11886  -0.00002   0.00026  -0.00479  -0.00471  -3.12357
   D447      -0.00705  -0.00001  -0.00185  -0.01968  -0.02147  -0.02852
   D448       2.41501  -0.00001  -0.00613  -0.00658  -0.01255   2.40246
   D449      -1.78493   0.00000  -0.00670   0.00093  -0.00578  -1.79071
   D450       0.32240   0.00000  -0.00702   0.02462   0.01755   0.33994
   D451      -0.69825  -0.00001  -0.00413   0.00840   0.00467  -0.69359
   D452       1.38499   0.00000  -0.00470   0.01591   0.01143   1.39643
   D453      -2.79086   0.00000  -0.00502   0.03960   0.03476  -2.75610
   D454       2.05368  -0.00001   0.00207  -0.02219  -0.02002   2.03366
   D455      -2.14596  -0.00001   0.00114  -0.00768  -0.00643  -2.15239
   D456      -0.05235  -0.00001   0.00143  -0.02072  -0.01925  -0.07160
   D457      -1.11622  -0.00001   0.00008  -0.03693  -0.03687  -1.15308
   D458       0.96733  -0.00001  -0.00085  -0.02242  -0.02327   0.94406
   D459       3.06094  -0.00001  -0.00056  -0.03546  -0.03609   3.02484
   D460      -3.08269   0.00002   0.00110   0.11323   0.11625  -2.96644
   D461      -0.02418   0.00002   0.00071   0.11462   0.11691   0.09273
   D462       0.07247  -0.00001   0.00096   0.12933   0.12756   0.20003
   D463       3.13098  -0.00002   0.00058   0.13072   0.12822  -3.02398
   D464       1.92443   0.00000  -0.00395   0.06760   0.06329   1.98771
   D465      -2.27585   0.00000  -0.00351   0.02813   0.02430  -2.25155
   D466      -0.18327   0.00000  -0.00420   0.08325   0.07940  -0.10386
   D467      -1.13739   0.00001  -0.00355   0.06428   0.06074  -1.07665
   D468       0.94551   0.00000  -0.00311   0.02482   0.02176   0.96727
   D469       3.03810   0.00001  -0.00380   0.07993   0.07686   3.11496
   D470      -1.63578   0.00001  -0.00226   0.01292   0.01100  -1.62479
   D471       0.46922   0.00001  -0.00199   0.02422   0.02248   0.49170
   D472       2.55967   0.00003  -0.00207   0.01204   0.01032   2.56999
   D473       1.42641   0.00001  -0.00266   0.01538   0.01263   1.43904
   D474      -2.75177   0.00000  -0.00239   0.02668   0.02411  -2.72766
   D475      -0.66132   0.00002  -0.00248   0.01450   0.01195  -0.64937
   D476       0.00593  -0.00001  -0.00209   0.01579   0.01369   0.01962
   D477      -3.04205  -0.00001  -0.00182   0.02018   0.01828  -3.02377
   D478       3.11945  -0.00003  -0.00261  -0.01701  -0.01966   3.09979
   D479       0.07147  -0.00003  -0.00234  -0.01262  -0.01508   0.05639
   D480      -0.30261   0.00000   0.00060   0.00961   0.01025  -0.29235
   D481       1.80561   0.00000   0.00183  -0.02955  -0.02781   1.77780
   D482      -2.39434   0.00000   0.00093   0.01641   0.01782  -2.37652
   D483       2.75014   0.00000   0.00041   0.00306   0.00339   2.75353
   D484      -1.42483   0.00000   0.00164  -0.03609  -0.03467  -1.45950
   D485       0.65840   0.00000   0.00074   0.00986   0.01096   0.66936
   D486      -0.08882   0.00000   0.00452   0.02028   0.02490  -0.06391
   D487       2.00680  -0.00001   0.00539  -0.00876  -0.00328   2.00352
   D488      -2.19245   0.00000   0.00491   0.00296   0.00791  -2.18454
   D489       3.14156   0.00000   0.00475   0.02696   0.03193  -3.10969
   D490      -1.04600  -0.00001   0.00562  -0.00207   0.00375  -1.04226
   D491       1.03793   0.00000   0.00514   0.00964   0.01494   1.05287
         Item               Value     Threshold  Converged?
 Maximum Force            0.000112     0.000450     YES
 RMS     Force            0.000011     0.000300     YES
 Maximum Displacement     0.315560     0.001800     NO 
 RMS     Displacement     0.026559     0.001200     NO 
 Predicted change in Energy=-2.123537D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:53:02 2016, MaxMem=  2952790016 cpu:        10.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.814458   -0.593529    1.658545
      2          6           0       -2.073863    1.138997   -1.370001
      3          8           0       -2.620711    0.165407   -1.918635
      4          7           0       -0.793909    1.185410   -0.944335
      5          1           0       -2.621188    2.092749   -1.201891
      6          6           0       -0.252414    2.365002   -0.253347
      7          1           0       -1.020916    3.148682   -0.210954
      8          1           0        0.013503    2.075909    0.767488
      9          1           0        0.638289    2.741189   -0.778518
     10          6           0        0.119837    0.046031   -1.110332
     11          1           0        0.682206   -0.088322   -0.171944
     12          1           0       -0.467796   -0.858033   -1.327484
     13          1           0        0.826990    0.244191   -1.931429
     14          6           0       -2.026142   -3.952849    2.663498
     15          8           0       -2.158462   -3.773880    3.883252
     16          7           0       -2.956729   -3.652793    1.713197
     17          1           0       -1.101062   -4.383551    2.235921
     18          6           0       -4.273417   -3.037939    2.080103
     19          1           0       -4.518618   -2.229623    1.341376
     20          1           0       -5.083034   -3.784462    2.064025
     21          1           0       -4.185607   -2.587867    3.071082
     22          6           0       -2.663323   -3.874955    0.280388
     23          1           0       -3.344947   -4.630371   -0.141536
     24          1           0       -2.790601   -2.921427   -0.271168
     25          1           0       -1.625013   -4.217362    0.154487
     26          6           0        1.595274    0.369580    2.598466
     27          8           0        1.591783    1.389770    3.304824
     28          7           0        1.193367   -0.879125    2.961987
     29          1           0        1.915326    0.355584    1.536368
     30          6           0        1.445809   -2.054812    2.108476
     31          1           0        2.150708   -2.723165    2.631880
     32          1           0        0.514864   -2.631077    1.947580
     33          1           0        1.882299   -1.747510    1.147976
     34          6           0        0.576693   -1.158190    4.262760
     35          1           0        1.325823   -1.469851    5.007671
     36          1           0        0.060666   -0.246810    4.605978
     37          1           0       -0.151966   -1.967371    4.148583
     38          6           0       -4.604889    1.033754    2.866521
     39          8           0       -4.841334    1.605876    1.794653
     40          7           0       -3.522982    1.296972    3.702291
     41          1           0       -5.221522    0.190731    3.238887
     42          6           0       -2.547578    2.345204    3.361689
     43          1           0       -2.635801    2.616721    2.302977
     44          1           0       -2.729285    3.260966    3.948343
     45          1           0       -1.523962    1.986936    3.538970
     46          6           0       -3.259414    0.460038    4.874114
     47          1           0       -4.053294   -0.292731    4.980764
     48          1           0       -2.291706   -0.089582    4.761509
     49          1           0       -3.202724    1.081622    5.780839
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.498719   0.000000
     3  O    3.744629   1.244154   0.000000
     4  N    3.313779   1.349678   2.308003   0.000000
     5  H    4.006120   1.112415   2.056300   2.056343   0.000000
     6  C    3.853338   2.463266   3.635964   1.470414   2.566115
     7  H    4.257802   2.547729   3.791497   2.108036   2.158198
     8  H    3.355789   3.131097   4.219522   2.091707   3.289428
     9  H    4.803706   3.205096   4.307622   2.121116   3.350210
    10  C    3.437618   2.464614   2.859757   1.469922   3.422083
    11  H    3.136759   3.246163   3.744939   2.097116   4.090265
    12  H    3.286310   2.563083   2.455999   2.104475   3.655132
    13  H    4.535078   3.087204   3.448625   2.118386   3.979865
    14  C    3.512801   6.496021   6.189466   6.398169   7.200317
    15  O    3.896446   7.193065   7.028055   7.054230   7.777540
    16  N    3.266017   5.766006   5.280319   5.928615   6.451479
    17  H    3.899560   6.666900   6.345288   6.420413   7.488110
    18  C    3.492754   5.847055   5.383565   6.252270   6.310730
    19  H    3.176458   4.967494   4.468321   5.546205   5.362029
    20  H    4.585854   6.714767   6.125853   7.221250   7.160203
    21  H    3.405142   6.170267   5.909881   6.470302   6.527930
    22  C    3.658913   5.311399   4.600222   5.531903   6.149180
    23  H    4.677477   6.034103   5.165471   6.401219   6.844599
    24  H    3.177383   4.267106   3.503078   4.615847   5.102638
    25  H    3.928136   5.587139   4.949537   5.575670   6.530669
    26  C    3.665692   5.459240   6.182266   4.350311   5.932164
    27  O    4.271555   5.945910   6.821195   4.877360   6.209169
    28  N    3.290523   5.789105   6.281617   4.844680   6.381281
    29  H    3.850588   4.997435   5.705160   3.765959   5.576357
    30  C    3.600990   5.889679   6.138696   4.983475   6.685900
    31  H    4.604918   6.984150   7.198435   6.061108   7.788569
    32  H    3.108197   5.649896   5.709622   4.964034   6.486026
    33  H    3.906196   5.506665   5.774119   4.487970   6.367955
    34  C    3.580277   6.635550   7.084134   5.872380   7.117405
    35  H    4.673965   7.683662   8.137746   6.853469   8.174941
    36  H    3.510508   6.495307   7.066137   5.795475   6.811550
    37  H    3.294179   6.618005   6.888729   6.024113   7.156061
    38  C    3.448732   4.936120   5.252495   5.391585   4.648496
    39  O    3.744046   4.229883   4.560113   4.905150   3.761033
    40  N    3.266488   5.277599   5.804253   5.389937   5.049505
    41  H    3.836747   5.661167   5.776235   6.171912   5.486339
    42  C    3.474811   4.905939   5.713028   4.791901   4.571150
    43  H    3.375737   3.998776   4.881719   3.998281   3.543848
    44  H    4.575719   5.763429   6.634433   5.656139   5.282170
    45  H    3.206117   5.011925   5.857157   4.612531   4.867326
    46  C    3.679373   6.391830   6.829070   6.360757   6.323837
    47  H    4.017462   6.804425   7.061437   6.922087   6.779872
    48  H    3.179641   6.257179   6.693101   6.035367   6.358716
    49  H    4.661193   7.239623   7.775609   7.144308   7.079483
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098429   0.000000
     8  H    1.093797   1.782755   0.000000
     9  H    1.100307   1.800316   1.795297   0.000000
    10  C    2.500124   3.425878   2.767295   2.764556   0.000000
    11  H    2.626583   3.657914   2.452262   2.894131   1.102217
    12  H    3.404132   4.195992   3.637111   3.805153   1.099909
    13  H    2.911857   3.848487   3.361711   2.756776   1.101604
    14  C    7.181179   7.726881   6.640853   7.984787   5.902378
    15  O    7.643973   8.122708   6.974628   8.485284   6.687170
    16  N    6.884364   7.328697   6.521861   7.746987   5.578429
    17  H    7.242901   7.920110   6.717378   7.929320   5.684118
    18  C    7.127778   7.355405   6.800889   8.105239   6.244232
    19  H    6.469483   6.600744   6.277506   7.469714   5.718806
    20  H    8.156041   8.351336   7.873985   9.132235   7.198547
    21  H    7.145120   7.327689   6.685049   8.154032   6.554273
    22  C    6.710768   7.229826   6.543351   7.469624   5.005418
    23  H    7.649281   8.119089   7.555111   8.403084   5.900173
    24  H    5.864217   6.323103   5.823674   6.639271   4.240360
    25  H    6.736310   7.399803   6.531904   7.376617   4.777111
    26  C    3.940621   4.739272   2.960749   4.236080   4.004595
    27  O    4.124648   4.720240   3.065913   4.405584   4.844158
    28  N    4.790930   5.585144   3.865246   5.235090   4.311863
    29  H    3.455421   4.413167   2.677242   3.560988   3.213196
    30  C    5.291211   6.208126   4.573029   5.655833   4.066014
    31  H    6.323683   7.253929   5.574469   6.616448   5.079078
    32  H    5.513039   6.357948   4.878493   6.025620   4.083355
    33  H    4.840812   5.852183   4.272669   5.040572   3.379796
    34  C    5.787532   6.412147   4.795154   6.373652   5.525304
    35  H    6.698898   7.353372   5.680998   7.189266   6.417340
    36  H    5.525633   5.991830   4.486786   6.185029   5.724112
    37  H    6.177097   6.777510   5.273262   6.860858   5.637717
    38  C    5.518136   5.175774   5.178954   6.610034   6.254118
    39  O    5.082200   4.582391   4.984521   6.159254   5.956952
    40  N    5.242554   5.000265   4.661174   6.283279   6.164116
    41  H    6.450983   6.188374   6.088284   7.548627   6.889613
    42  C    4.282132   3.967374   3.655343   5.239071   5.692123
    43  H    3.504096   3.034911   3.109505   4.497863   5.084552
    44  H    4.959016   4.497876   4.364068   5.827001   6.636527
    45  H    4.017640   3.957858   3.170620   4.887221   5.299547
    46  C    6.241938   6.172325   5.494306   7.235191   6.885081
    47  H    6.993292   6.927667   6.316722   8.024023   7.391294
    48  H    5.944112   6.068497   5.094658   6.876775   6.349209
    49  H    6.838333   6.703329   6.038743   7.780277   7.720110
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.802840   0.000000
    13  H    1.796473   1.804472   0.000000
    14  C    5.505402   5.285288   6.846084   0.000000
    15  O    6.172304   6.205826   7.672570   1.239894   0.000000
    16  N    5.431488   4.821951   6.541125   1.363487   2.315390
    17  H    5.237065   5.052539   6.519216   1.106391   2.050242
    18  C    6.191135   5.553953   7.271789   2.495526   2.875063
    19  H    5.824421   5.041154   6.738437   3.306047   3.796867
    20  H    7.204096   6.431698   8.192806   3.119665   3.444245
    21  H    6.360860   6.013471   7.627044   2.587004   2.485069
    22  C    5.073042   4.062931   5.834533   2.468052   3.639468
    23  H    6.070346   4.890297   6.661091   3.172775   4.282551
    24  H    4.482936   3.281588   5.085722   3.203201   4.287830
    25  H    4.741180   3.849738   5.501711   2.554605   3.792747
    26  C    2.952717   4.601779   4.596295   5.639350   5.736677
    27  O    3.885872   5.545517   5.414389   6.484154   6.407978
    28  N    3.272335   4.599943   5.034043   4.461179   4.523615
    29  H    2.153130   3.918391   3.636275   5.947116   6.257482
    30  C    3.106523   4.110959   4.689262   3.995628   4.369874
    31  H    4.118291   5.100180   5.601893   4.354216   4.608565
    32  H    3.314512   3.851669   4.838523   2.952344   3.492777
    33  H    2.436251   3.527324   3.816187   4.736690   5.283526
    34  C    4.563151   5.694900   6.355887   4.140351   3.803542
    35  H    5.399192   6.612532   7.165045   4.784986   4.325864
    36  H    4.820785   5.988225   6.600456   4.675759   4.229312
    37  H    4.784728   5.596221   6.543387   3.108076   2.712913
    38  C    6.200378   6.187412   7.290338   5.617594   5.489270
    39  O    6.103057   5.911550   6.918654   6.291233   6.364104
    40  N    5.883225   6.267124   7.195096   5.556999   5.254350
    41  H    6.823902   6.674546   7.957356   5.264103   5.051305
    42  C    5.370299   6.047691   6.619596   6.358052   6.153586
    43  H    4.944862   5.473062   5.962383   6.607640   6.600371
    44  H    6.311320   7.065043   7.504648   7.361002   7.058267
    45  H    4.790068   5.735130   6.203983   6.024921   5.805869
    46  C    6.426489   6.927501   7.941077   5.087372   4.485529
    47  H    7.001223   7.278005   8.478435   4.782836   4.112581
    48  H    5.760478   6.402578   7.391420   4.404203   3.789874
    49  H    7.203962   7.859412   8.741794   6.037222   5.316692
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.061734   0.000000
    18  C    1.498777   3.449461   0.000000
    19  H    2.145498   4.137548   1.122148   0.000000
    20  H    2.159071   4.030453   1.101379   1.805079   0.000000
    21  H    2.118505   3.665569   1.091932   1.797531   1.803159
    22  C    1.479318   2.554101   2.555772   2.697208   3.007416
    23  H    2.132230   3.278451   2.886793   3.056161   2.932747
    24  H    2.121367   3.358249   2.782229   2.462709   3.384258
    25  H    2.126448   2.152790   3.480385   3.705774   3.973870
    26  C    6.138723   5.476671   6.805984   6.761347   7.882987
    27  O    6.974932   6.459505   7.450175   7.368319   8.536125
    28  N    5.145485   4.251186   5.943394   6.089089   6.974277
    29  H    6.311519   5.661040   7.078996   6.936638   8.148340
    30  C    4.700227   3.453379   5.803180   6.016095   6.754218
    31  H    5.272011   3.672557   6.455456   6.810939   7.333200
    32  H    3.626403   2.401150   4.807363   5.085725   5.716670
    33  H    5.231230   4.127079   6.358215   6.421960   7.314655
    34  C    5.020796   4.162439   5.641012   5.970314   6.615455
    35  H    5.827439   4.697022   6.510072   6.940926   7.422662
    36  H    5.391992   4.907078   5.740620   5.963138   6.740487
    37  H    4.079026   3.224436   4.734035   5.197773   5.653551
    38  C    5.100031   6.482411   4.160170   3.603212   4.907936
    39  O    5.586768   7.075138   4.687113   3.875649   5.402474
    40  N    5.364449   6.346990   4.688934   4.359138   5.562253
    41  H    4.714838   6.237643   3.558932   3.154796   4.147486
    42  C    6.233851   6.973944   5.796483   5.375472   6.759088
    43  H    6.305366   7.166849   5.891234   5.287412   6.857200
    44  H    7.269641   8.001383   6.749138   6.335973   7.663475
    45  H    6.098591   6.516125   5.910767   5.619320   6.939128
    46  C    5.195999   5.922745   4.590267   4.615205   5.407216
    47  H    4.813467   5.743226   3.999807   4.148882   4.664753
    48  H    4.736132   5.121953   4.450835   4.608278   5.359112
    49  H    6.246672   6.844819   5.640267   5.692517   6.405392
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.429565   0.000000
    23  H    3.898647   1.101493   0.000000
    24  H    3.637024   1.108886   1.801276   0.000000
    25  H    4.209326   1.100537   1.793427   1.794220   0.000000
    26  C    6.510641   6.444005   7.544064   6.188814   6.114190
    27  O    7.018152   7.414207   8.514153   7.111922   7.191128
    28  N    5.644915   5.571358   6.655825   5.522345   5.193183
    29  H    6.945547   6.359164   7.439462   6.012631   5.946043
    30  C    5.737910   4.851782   5.886205   4.935676   4.233751
    31  H    6.352959   5.480057   6.444493   5.734416   4.756697
    32  H    4.833069   3.798372   4.822834   3.991647   3.211006
    33  H    6.420593   5.093270   6.107195   5.022752   4.403229
    34  C    5.113079   5.808425   6.843474   5.916433   5.575298
    35  H    5.947789   6.636641   7.636708   6.849683   6.309488
    36  H    5.085989   6.268515   7.304294   6.250589   6.198594
    37  H    4.220934   4.990864   5.974264   5.235153   4.815094
    38  C    3.651545   5.878195   6.535914   5.364717   6.618837
    39  O    4.432462   6.089026   6.699162   5.382341   6.851640
    40  N    3.991174   6.260771   7.066831   5.841203   6.826205
    41  H    2.970165   5.641533   6.179953   5.283502   6.471451
    42  C    5.206032   6.942491   7.846466   6.402665   7.362373
    43  H    5.484489   6.799520   7.681073   6.109114   7.234804
    44  H    6.090919   8.023690   8.909509   7.485320   8.458023
    45  H    5.313388   6.802813   7.787867   6.341416   7.068115
    46  C    3.660394   6.344274   7.146771   6.174790   6.842822
    47  H    2.988652   6.071069   6.749432   6.007265   6.677741
    48  H    3.561718   5.877720   6.765201   5.796214   6.221552
    49  H    4.666260   7.423851   8.229315   7.267809   7.888234
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.240864   0.000000
    28  N    1.361227   2.328981   0.000000
    29  H    1.109360   2.074044   2.019435   0.000000
    30  C    2.477923   3.649342   1.474601   2.521460   0.000000
    31  H    3.142402   4.204936   2.103796   3.276315   1.103417
    32  H    3.254978   4.378251   2.135117   3.324234   1.106629
    33  H    2.582319   3.818235   2.125877   2.138912   1.098870
    34  C    2.478198   2.905194   1.466348   3.393621   2.490027
    35  H    3.043087   3.338840   2.133383   3.966064   2.960052
    36  H    2.600974   2.591469   2.094168   3.636639   3.380090
    37  H    3.304096   3.875949   2.098145   4.061217   2.592792
    38  C    6.241394   6.222346   6.106389   6.688977   6.835555
    39  O    6.603368   6.611529   6.629896   6.876220   7.281984
    40  N    5.317427   5.131024   5.246656   5.928965   6.201902
    41  H    6.849149   6.918321   6.509384   7.338961   7.125560
    42  C    4.652829   4.248575   4.954869   5.216118   6.072711
    43  H    4.799892   4.514596   5.226640   5.139376   6.206496
    44  H    5.374393   4.752591   5.787957   5.985923   7.005285
    45  H    3.637310   3.181084   3.991378   4.301212   5.215514
    46  C    5.362346   5.182777   5.027608   6.158684   6.009355
    47  H    6.166062   6.124252   5.652147   6.921603   6.449426
    48  H    4.471935   4.403623   4.000924   5.319664   4.986957
    49  H    5.801318   5.404896   5.578178   6.688580   6.703158
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.775593   0.000000
    33  H    1.796083   1.813818   0.000000
    34  C    2.754349   2.744682   3.428379   0.000000
    35  H    2.809913   3.371980   3.909476   1.101462   0.000000
    36  H    3.794427   3.599737   4.186672   1.102133   1.804940
    37  H    2.859007   2.393655   3.631833   1.094876   1.780285
    38  C    7.733536   6.362964   7.264463   5.796800   6.784239
    39  O    8.266208   6.831107   7.541262   6.564041   7.603776
    40  N    7.035484   5.900236   6.708983   4.811370   5.733256
    41  H    7.950410   6.521979   7.654604   6.040464   6.982396
    42  C    6.949451   6.011791   6.424534   4.779829   5.680416
    43  H    7.178665   6.131263   6.387000   5.330181   6.301580
    44  H    7.833085   7.017388   7.361630   5.527865   6.320341
    45  H    6.042439   5.292956   5.591561   3.850772   4.714630
    46  C    6.665569   5.689005   6.722691   4.208103   4.976616
    47  H    7.064977   5.961219   7.213730   4.764591   5.506471
    48  H    5.586244   4.717439   5.764431   3.101352   3.879723
    49  H    7.283652   6.503728   7.438068   4.648152   5.255049
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.792973   0.000000
    38  C    5.141299   5.520775   0.000000
    39  O    5.946898   6.348170   1.237792   0.000000
    40  N    4.005302   4.713689   1.392235   2.339350   0.000000
    41  H    5.473746   5.584385   1.108865   2.057423   2.079315
    42  C    3.881975   4.995644   2.489502   2.874635   1.471806
    43  H    4.557912   5.530787   2.588566   2.478826   2.118232
    44  H    4.529989   5.832510   3.106236   3.440706   2.132550
    45  H    2.939247   4.229722   3.294367   3.767334   2.121038
    46  C    3.405064   4.009357   2.483925   3.646710   1.463931
    47  H    4.131251   4.326350   2.556138   3.791704   2.107813
    48  H    2.362745   2.912088   3.194320   4.263498   2.135536
    49  H    3.714128   4.611696   3.234441   4.341609   2.114072
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.436104   0.000000
    43  H    3.667057   1.096530   0.000000
    44  H    4.017576   1.102634   1.769469   0.000000
    45  H    4.121693   1.098896   1.777778   1.800983   0.000000
    46  C    2.568339   2.519521   3.413345   2.997212   2.669423
    47  H    2.152354   3.441988   4.200564   3.930350   3.697724
    48  H    3.313726   2.820132   3.672446   3.475469   2.529023
    49  H    3.366118   2.806803   3.843626   2.886473   2.943436
                   46         47         48         49
    46  C    0.000000
    47  H    1.099218   0.000000
    48  H    1.118580   1.786766   0.000000
    49  H    1.100786   1.803450   1.800196   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2150191      0.1962834      0.1835063
 Leave Link  202 at Mon Nov 14 04:53:02 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1848.5331300191 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854390476 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1848.3476909716 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4047
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.60D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     213
 GePol: Fraction of low-weight points (<1% of avg)   =       5.26%
 GePol: Cavity surface area                          =    471.381 Ang**2
 GePol: Cavity volume                                =    460.211 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040754350 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1848.3436155366 Hartrees.
 Leave Link  301 at Mon Nov 14 04:53:02 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11996 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.53D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:53:04 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:53:04 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Lowest energy guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.002044    0.000802   -0.002547
         Rot=    1.000000   -0.000156   -0.000424    0.000171 Ang=  -0.06 deg.
 Guess basis will be translated and rotated to current coordinates.
 B after Tr=     0.007245   -0.002508   -0.003318
         Rot=    1.000000    0.000039   -0.000388    0.000314 Ang=   0.06 deg.
 Guess basis will be translated and rotated to current coordinates.
 CkInt1:  FT= 2.99D-01
 Max alpha theta=  0.271 degrees.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:53:05 2016, MaxMem=  2952790016 cpu:        11.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49134627.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.88D-15 for   3787.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.87D-15 for   1958    289.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   1917.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.72D-12 for   2004   1958.
 E= -1013.43091860125    
 DIIS: error= 2.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.43091860125     IErMin= 1 ErrMin= 2.63D-03
 ErrMax= 2.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.55D-03 BMatP= 8.55D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=    15.016 Goal=   None    Shift=    0.000
 GapD=   15.016 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.44D-04 MaxDP=3.24D-02              OVMax= 4.31D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.43D-04    CP:  9.99D-01
 E= -1013.44607281035     Delta-E=       -0.015154209103 Rises=F Damp=F
 DIIS: error= 1.02D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.44607281035     IErMin= 2 ErrMin= 1.02D-03
 ErrMax= 1.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-04 BMatP= 8.55D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02
 Coeff-Com:  0.738D-01 0.926D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.731D-01 0.927D+00
 Gap=     0.187 Goal=   None    Shift=    0.000
 RMSDP=1.69D-04 MaxDP=7.58D-03 DE=-1.52D-02 OVMax= 1.47D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.64D-04    CP:  9.99D-01  9.22D-01
 E= -1013.44477622364     Delta-E=        0.001296586714 Rises=F Damp=F
 DIIS: error= 2.61D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.44607281035     IErMin= 2 ErrMin= 1.02D-03
 ErrMax= 2.61D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-03 BMatP= 4.70D-04
 IDIUse=3 WtCom= 1.64D-01 WtEn= 8.36D-01
 Coeff-Com:  0.104D-01 0.679D+00 0.310D+00
 Coeff-En:   0.000D+00 0.757D+00 0.243D+00
 Coeff:      0.170D-02 0.744D+00 0.254D+00
 Gap=     0.186 Goal=   None    Shift=    0.000
 RMSDP=9.91D-05 MaxDP=5.00D-03 DE= 1.30D-03 OVMax= 1.01D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.85D-05    CP:  9.99D-01  9.41D-01  4.77D-01
 E= -1013.44645429243     Delta-E=       -0.001678068790 Rises=F Damp=F
 DIIS: error= 3.71D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.44645429243     IErMin= 4 ErrMin= 3.71D-04
 ErrMax= 3.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.69D-05 BMatP= 4.70D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.71D-03
 Coeff-Com:  0.651D-03 0.309D+00 0.817D-01 0.609D+00
 Coeff-En:   0.000D+00 0.834D-02 0.000D+00 0.992D+00
 Coeff:      0.649D-03 0.307D+00 0.814D-01 0.610D+00
 Gap=     0.186 Goal=   None    Shift=    0.000
 RMSDP=2.85D-05 MaxDP=1.33D-03 DE=-1.68D-03 OVMax= 1.38D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.61D-05    CP:  9.99D-01  9.54D-01  3.75D-01  6.86D-01
 E= -1013.44648900888     Delta-E=       -0.000034716451 Rises=F Damp=F
 DIIS: error= 1.97D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.44648900888     IErMin= 5 ErrMin= 1.97D-04
 ErrMax= 1.97D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-05 BMatP= 4.69D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.97D-03
 Coeff-Com:  0.189D-03 0.147D+00 0.309D-01 0.402D+00 0.420D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.152D+00 0.848D+00
 Coeff:      0.189D-03 0.147D+00 0.308D-01 0.401D+00 0.421D+00
 Gap=     0.186 Goal=   None    Shift=    0.000
 RMSDP=8.48D-06 MaxDP=5.38D-04 DE=-3.47D-05 OVMax= 6.58D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.60D-06    CP:  9.99D-01  9.54D-01  3.74D-01  7.11D-01  5.66D-01
 E= -1013.44649908030     Delta-E=       -0.000010071421 Rises=F Damp=F
 DIIS: error= 3.30D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.44649908030     IErMin= 6 ErrMin= 3.30D-05
 ErrMax= 3.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-07 BMatP= 1.17D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.705D-04 0.695D-01 0.149D-01 0.201D+00 0.241D+00 0.474D+00
 Coeff:      0.705D-04 0.695D-01 0.149D-01 0.201D+00 0.241D+00 0.474D+00
 Gap=     0.186 Goal=   None    Shift=    0.000
 RMSDP=1.75D-06 MaxDP=1.11D-04 DE=-1.01D-05 OVMax= 1.17D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.47D-06    CP:  9.99D-01  9.54D-01  3.75D-01  7.10D-01  5.71D-01
                    CP:  8.04D-01
 E= -1013.44649935085     Delta-E=       -0.000000270547 Rises=F Damp=F
 DIIS: error= 1.19D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.44649935085     IErMin= 7 ErrMin= 1.19D-05
 ErrMax= 1.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.75D-08 BMatP= 3.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.950D-05 0.271D-01 0.632D-02 0.801D-01 0.105D+00 0.309D+00
 Coeff-Com:  0.473D+00
 Coeff:     -0.950D-05 0.271D-01 0.632D-02 0.801D-01 0.105D+00 0.309D+00
 Coeff:      0.473D+00
 Gap=     0.186 Goal=   None    Shift=    0.000
 RMSDP=8.73D-07 MaxDP=4.41D-05 DE=-2.71D-07 OVMax= 8.22D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.50D-07    CP:  9.99D-01  9.54D-01  3.76D-01  7.11D-01  5.68D-01
                    CP:  8.08D-01  6.38D-01
 E= -1013.44649938140     Delta-E=       -0.000000030557 Rises=F Damp=F
 DIIS: error= 7.25D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.44649938140     IErMin= 8 ErrMin= 7.25D-06
 ErrMax= 7.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-08 BMatP= 5.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.177D-04 0.782D-02 0.213D-02 0.245D-01 0.368D-01 0.158D+00
 Coeff-Com:  0.384D+00 0.387D+00
 Coeff:     -0.177D-04 0.782D-02 0.213D-02 0.245D-01 0.368D-01 0.158D+00
 Coeff:      0.384D+00 0.387D+00
 Gap=     0.186 Goal=   None    Shift=    0.000
 RMSDP=4.09D-07 MaxDP=1.97D-05 DE=-3.06D-08 OVMax= 4.04D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.24D-07    CP:  9.99D-01  9.54D-01  3.76D-01  7.11D-01  5.71D-01
                    CP:  8.05D-01  7.01D-01  5.01D-01
 E= -1013.44649940005     Delta-E=       -0.000000018644 Rises=F Damp=F
 DIIS: error= 7.30D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.44649940005     IErMin= 9 ErrMin= 7.30D-07
 ErrMax= 7.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-10 BMatP= 2.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.720D-05 0.845D-03 0.313D-03 0.301D-02 0.559D-02 0.374D-01
 Coeff-Com:  0.116D+00 0.177D+00 0.660D+00
 Coeff:     -0.720D-05 0.845D-03 0.313D-03 0.301D-02 0.559D-02 0.374D-01
 Coeff:      0.116D+00 0.177D+00 0.660D+00
 Gap=     0.186 Goal=   None    Shift=    0.000
 RMSDP=7.63D-08 MaxDP=3.40D-06 DE=-1.86D-08 OVMax= 3.78D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.12D-08    CP:  9.99D-01  9.54D-01  3.76D-01  7.11D-01  5.71D-01
                    CP:  8.10D-01  7.00D-01  5.33D-01  7.95D-01
 E= -1013.44649940034     Delta-E=       -0.000000000292 Rises=F Damp=F
 DIIS: error= 2.58D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.44649940034     IErMin=10 ErrMin= 2.58D-07
 ErrMax= 2.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-11 BMatP= 3.65D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.269D-05 0.372D-04 0.449D-04 0.311D-03 0.101D-02 0.115D-01
 Coeff-Com:  0.407D-01 0.736D-01 0.338D+00 0.535D+00
 Coeff:     -0.269D-05 0.372D-04 0.449D-04 0.311D-03 0.101D-02 0.115D-01
 Coeff:      0.407D-01 0.736D-01 0.338D+00 0.535D+00
 Gap=     0.186 Goal=   None    Shift=    0.000
 RMSDP=2.07D-08 MaxDP=9.64D-07 DE=-2.92D-10 OVMax= 7.50D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.60D-08    CP:  9.99D-01  9.54D-01  3.76D-01  7.11D-01  5.71D-01
                    CP:  8.11D-01  7.02D-01  5.33D-01  8.08D-01  7.76D-01
 E= -1013.44649940033     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 5.52D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -1013.44649940034     IErMin=11 ErrMin= 5.52D-08
 ErrMax= 5.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-12 BMatP= 2.91D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.227D-06-0.709D-04-0.203D-04-0.180D-03-0.187D-03 0.524D-03
 Coeff-Com:  0.320D-02 0.999D-02 0.554D-01 0.187D+00 0.744D+00
 Coeff:     -0.227D-06-0.709D-04-0.203D-04-0.180D-03-0.187D-03 0.524D-03
 Coeff:      0.320D-02 0.999D-02 0.554D-01 0.187D+00 0.744D+00
 Gap=     0.186 Goal=   None    Shift=    0.000
 RMSDP=5.65D-09 MaxDP=2.42D-07 DE= 7.28D-12 OVMax= 4.55D-07

 Error on total polarization charges =  0.04272
 SCF Done:  E(RB97D) =  -1013.44649940     A.U. after   11 cycles
            NFock= 11  Conv=0.57D-08     -V/T= 2.0215
 KE= 9.921589522895D+02 PE=-6.028005450752D+03 EE= 2.174056383525D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.56
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:55:12 2016, MaxMem=  2952790016 cpu:      1470.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11996 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     369
 Leave Link  701 at Mon Nov 14 04:55:21 2016, MaxMem=  2952790016 cpu:        97.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:55:21 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:55:58 2016, MaxMem=  2952790016 cpu:       441.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.49343156D+00-2.58101146D+00 3.25872640D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.002894329    0.001598568   -0.000181526
      2        6          -0.007713681    0.003698315   -0.007437275
      3        8          -0.000788861   -0.001791287    0.001622110
      4        7           0.009148300    0.002044412    0.002587066
      5        1           0.001065587   -0.002096091    0.001865695
      6        6          -0.005248936   -0.003890656   -0.002372837
      7        1           0.000245309    0.000609147   -0.001049855
      8        1           0.003167020    0.000058348    0.004615432
      9        1           0.000600407   -0.000320087   -0.000346761
     10        6          -0.002428487    0.002174744    0.001642837
     11        1           0.000302303   -0.001152467   -0.001557564
     12        1           0.001574259    0.000839976    0.000022930
     13        1           0.000415173   -0.000581436   -0.000077522
     14        6          -0.004001685   -0.001633603   -0.001831102
     15        8          -0.000155712    0.001072450    0.004333282
     16        7          -0.007901043    0.001736641   -0.002700612
     17        1           0.000746436    0.000287252   -0.001281839
     18        6           0.010620705    0.004242612   -0.015892573
     19        1           0.003815756   -0.009904890    0.006178181
     20        1           0.001563832   -0.001267193    0.000237500
     21        1           0.000127822   -0.000342110    0.003551137
     22        6          -0.003657172    0.006145419    0.003750118
     23        1          -0.001011810    0.000647066    0.000131583
     24        1          -0.000773431   -0.003640431    0.001598406
     25        1          -0.000887845    0.000336454    0.002097044
     26        6           0.001295119   -0.005837997   -0.005360339
     27        8          -0.003426633   -0.002166357   -0.000123614
     28        7          -0.003618019   -0.006722490    0.000582864
     29        1           0.003672339    0.006024148    0.001002790
     30        6          -0.000303149   -0.000231739    0.005273126
     31        1           0.000921645    0.000084019   -0.001231485
     32        1           0.001885344    0.003960598   -0.000704401
     33        1          -0.001810238    0.000952059   -0.000003794
     34        6           0.000151596    0.007541444    0.000019902
     35        1           0.001364849    0.000667619    0.000626785
     36        1           0.001627879   -0.002418319    0.000802104
     37        1          -0.002217026   -0.001769203   -0.001469987
     38        6           0.016281115   -0.000528293    0.012381367
     39        8          -0.000247903    0.002135274   -0.000385942
     40        7          -0.013989518   -0.001077904   -0.014302869
     41        1          -0.000382108    0.001304302    0.000703932
     42        6          -0.002636250    0.001258593    0.000033663
     43        1          -0.002029297   -0.002742240   -0.001979113
     44        1           0.001006614   -0.001502008    0.002919652
     45        1          -0.000076856   -0.001555164    0.002946639
     46        6           0.008417853   -0.004178851   -0.001675545
     47        1          -0.001326075    0.001860412    0.000458564
     48        1          -0.005822871    0.006170566   -0.000811948
     49        1          -0.000456985   -0.000099621    0.000793796
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.016281115 RMS     0.004104383
 Leave Link  716 at Mon Nov 14 04:55:58 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.013272210 RMS     0.001050617
 Search for a local minimum.
 Step number 109 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .10506D-02 SwitMx=.10000D-02 MixMth= 1
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
                                                    101  102  103  104  105
                                                    106  108  109  107
 ITU=  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1
 ITU= -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0
 ITU=  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 Use linear search instead of GDIIS.
 Energy rises -- skip Quadratic/GDIIS search.
 Quartic linear search produced a step of -0.98817.
 Iteration  1 RMS(Cart)=  0.02457192 RMS(Int)=  0.00103725
 Iteration  2 RMS(Cart)=  0.00099462 RMS(Int)=  0.00000493
 Iteration  3 RMS(Cart)=  0.00000081 RMS(Int)=  0.00000477
 ITry= 1 IFail=0 DXMaxC= 2.77D-01 DCOld= 1.00D+10 DXMaxT= 2.26D-01 DXLimC= 3.00D+00 Rises=T
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.61162   0.00144  -0.02700   0.00000  -0.02700   6.58462
    R2        6.26213   0.00043  -0.00247   0.00000  -0.00247   6.25966
    R3        7.28175  -0.00107  -0.04959   0.00000  -0.04959   7.23217
    R4        6.34152   0.00034  -0.02173   0.00000  -0.02173   6.31979
    R5        6.49616   0.00025   0.03340   0.00000   0.03341   6.52956
    R6        5.92761   0.00075   0.04499   0.00000   0.04499   5.97260
    R7        6.63823   0.00035   0.05065   0.00000   0.05065   6.68888
    R8        6.17188  -0.00030   0.05683   0.00000   0.05683   6.22871
    R9        6.60035  -0.00342   0.06588   0.00000   0.06588   6.66623
   R10        6.00263  -0.00063   0.05747   0.00000   0.05747   6.06011
   R11        6.91434  -0.00257   0.03265   0.00000   0.03265   6.94699
   R12        6.00438   0.00029   0.01958   0.00000   0.01958   6.02396
   R13        6.92715  -0.00138  -0.03695   0.00000  -0.03696   6.89019
   R14        6.21819  -0.00070  -0.02459   0.00000  -0.02459   6.19359
   R15        6.80489   0.00045   0.03806   0.00000   0.03806   6.84294
   R16        5.87364  -0.00020   0.06451   0.00000   0.06452   5.93816
   R17        6.76574  -0.00121  -0.06930   0.00000  -0.06929   6.69646
   R18        6.51716  -0.00217   0.04909   0.00000   0.04909   6.56625
   R19        6.17277  -0.00041   0.04612   0.00000   0.04612   6.21888
   R20        6.56644  -0.00094   0.00816   0.00000   0.00817   6.57461
   R21        6.05868  -0.00088  -0.01463   0.00000  -0.01464   6.04405
   R22        6.95301  -0.00132   0.05882   0.00000   0.05882   7.01182
   R23        6.00865  -0.00058   0.02667   0.00000   0.02667   6.03532
   R24        2.35111   0.00104  -0.00156   0.00000  -0.00156   2.34955
   R25        2.55052   0.00543   0.02126   0.00000   0.02126   2.57178
   R26        2.10216  -0.00204  -0.00751   0.00000  -0.00751   2.09465
   R27        2.77868  -0.00240  -0.01332   0.00000  -0.01332   2.76536
   R28        2.77775  -0.00134  -0.00954   0.00000  -0.00954   2.76821
   R29        2.07573   0.00022   0.00081   0.00000   0.00081   2.07654
   R30        2.06698   0.00291   0.01551   0.00000   0.01551   2.08249
   R31        2.07928   0.00054   0.00362   0.00000   0.00362   2.08290
   R32        2.08289  -0.00103  -0.00151   0.00000  -0.00151   2.08137
   R33        2.07853  -0.00153  -0.00374   0.00000  -0.00374   2.07478
   R34        2.08173   0.00022   0.00174   0.00000   0.00174   2.08347
   R35        2.34306   0.00444   0.00581   0.00000   0.00581   2.34887
   R36        2.57662   0.00052  -0.00498   0.00000  -0.00498   2.57164
   R37        2.09078   0.00101   0.00341   0.00000   0.00341   2.09419
   R38        2.83228  -0.00844  -0.06349   0.00000  -0.06348   2.76880
   R39        2.79551  -0.00446  -0.03040   0.00000  -0.03040   2.76511
   R40        2.12055  -0.00793  -0.03830   0.00000  -0.03829   2.08226
   R41        2.08130  -0.00029   0.00280   0.00000   0.00280   2.08410
   R42        2.06345   0.00310   0.01005   0.00000   0.01005   2.07350
   R43        2.08152   0.00013   0.00176   0.00000   0.00176   2.08328
   R44        2.09549  -0.00239  -0.01150   0.00000  -0.01150   2.08399
   R45        2.07971  -0.00118  -0.00297   0.00000  -0.00297   2.07674
   R46        2.34489  -0.00184   0.00312   0.00000   0.00312   2.34801
   R47        2.57235   0.00126  -0.00009   0.00000  -0.00009   2.57226
   R48        2.09639   0.00003  -0.00277   0.00000  -0.00277   2.09362
   R49        2.78659  -0.00280  -0.02061   0.00000  -0.02061   2.76598
   R50        2.77100  -0.00130  -0.00247   0.00000  -0.00247   2.76852
   R51        2.08516  -0.00005  -0.00077   0.00000  -0.00077   2.08438
   R52        2.09123  -0.00117  -0.00871   0.00000  -0.00871   2.08251
   R53        2.07656  -0.00045  -0.00017   0.00000  -0.00017   2.07639
   R54        2.08146   0.00116   0.00371   0.00000   0.00371   2.08517
   R55        2.08273  -0.00251  -0.00863   0.00000  -0.00863   2.07410
   R56        2.06902   0.00293   0.00873   0.00000   0.00873   2.07775
   R57        2.33909   0.00137   0.00989   0.00000   0.00989   2.34898
   R58        2.63094  -0.01327  -0.05838   0.00000  -0.05838   2.57257
   R59        2.09545  -0.00054  -0.00053   0.00000  -0.00053   2.09492
   R60        2.78131  -0.00144  -0.01154   0.00000  -0.01154   2.76977
   R61        2.76643   0.00147  -0.00196   0.00000  -0.00196   2.76446
   R62        2.07214   0.00140   0.00221   0.00000   0.00221   2.07435
   R63        2.08368   0.00014  -0.00040   0.00000  -0.00040   2.08327
   R64        2.07661   0.00139   0.00351   0.00000   0.00350   2.08011
   R65        2.07722  -0.00028  -0.00123   0.00000  -0.00123   2.07600
   R66        2.11381  -0.00493  -0.02858   0.00000  -0.02858   2.08523
   R67        2.08018   0.00058   0.00230   0.00000   0.00230   2.08249
    A1        0.67672   0.00040   0.00529   0.00000   0.00529   0.68201
    A2        0.94793   0.00099   0.01146   0.00000   0.01146   0.95938
    A3        0.72631   0.00032   0.00138   0.00000   0.00138   0.72768
    A4        1.01705   0.00038   0.00299   0.00000   0.00299   1.02004
    A5        2.36989  -0.00031  -0.00713   0.00000  -0.00712   2.36276
    A6        2.04025  -0.00063  -0.00580   0.00000  -0.00580   2.03445
    A7        1.98104  -0.00063  -0.00772   0.00000  -0.00771   1.97333
    A8        1.67650   0.00054   0.00135   0.00000   0.00135   1.67785
    A9        1.67183  -0.00014  -0.00227   0.00000  -0.00227   1.66956
   A10        1.38402  -0.00010   0.00213   0.00000   0.00213   1.38615
   A11        1.73231   0.00050   0.00379   0.00000   0.00380   1.73611
   A12        2.04164   0.00078   0.00224   0.00000   0.00224   2.04388
   A13        1.95652   0.00060  -0.00292   0.00000  -0.00292   1.95360
   A14        2.04955   0.00016  -0.00088   0.00000  -0.00088   2.04867
   A15        2.42988   0.00038   0.00469   0.00000   0.00469   2.43457
   A16        1.58035   0.00061  -0.00081   0.00000  -0.00081   1.57954
   A17        1.78873  -0.00055  -0.00792   0.00000  -0.00792   1.78081
   A18        1.56063   0.00031   0.00065   0.00000   0.00065   1.56128
   A19        1.68691   0.00089   0.01646   0.00000   0.01646   1.70338
   A20        2.19640  -0.00024  -0.01243   0.00000  -0.01243   2.18398
   A21        2.42665  -0.00092  -0.02384   0.00000  -0.02384   2.40281
   A22        0.63789   0.00026   0.00683   0.00000   0.00683   0.64471
   A23        0.66005  -0.00022  -0.00022   0.00000  -0.00022   0.65983
   A24        2.42896   0.00026  -0.00304   0.00000  -0.00304   2.42592
   A25        2.24427   0.00008  -0.00319   0.00000  -0.00319   2.24108
   A26        2.32859  -0.00005  -0.00726   0.00000  -0.00726   2.32133
   A27        2.04908   0.00120   0.00263   0.00000   0.00263   2.05171
   A28        1.83076   0.00060   0.00295   0.00000   0.00295   1.83370
   A29        1.58168   0.00053   0.00771   0.00000   0.00771   1.58938
   A30        1.34272  -0.00031  -0.00087   0.00000  -0.00087   1.34185
   A31        1.64709   0.00001  -0.00246   0.00000  -0.00246   1.64463
   A32        1.60796  -0.00005  -0.00763   0.00000  -0.00763   1.60033
   A33        1.76620  -0.00037  -0.00598   0.00000  -0.00598   1.76022
   A34        2.03792  -0.00040  -0.00006   0.00000  -0.00006   2.03786
   A35        1.84523   0.00070   0.00244   0.00000   0.00244   1.84768
   A36        1.91967  -0.00015  -0.00188   0.00000  -0.00188   1.91779
   A37        1.56675   0.00032   0.00439   0.00000   0.00439   1.57114
   A38        1.57151   0.00059   0.02008   0.00000   0.02008   1.59159
   A39        2.28324  -0.00024  -0.00937   0.00000  -0.00936   2.27388
   A40        2.38572  -0.00086  -0.01805   0.00000  -0.01805   2.36766
   A41        0.69104  -0.00023  -0.00041   0.00000  -0.00041   0.69063
   A42        0.74387   0.00011   0.00465   0.00000   0.00465   0.74852
   A43        2.69197   0.00038   0.00188   0.00000   0.00188   2.69384
   A44        2.62450  -0.00012  -0.00101   0.00000  -0.00101   2.62349
   A45        2.65218  -0.00010  -0.00057   0.00000  -0.00056   2.65162
   A46        2.33370   0.00111   0.01026   0.00000   0.01027   2.34396
   A47        2.20898   0.00042   0.00575   0.00000   0.00575   2.21473
   A48        1.96678   0.00025   0.00976   0.00000   0.00976   1.97654
   A49        1.10227   0.00011  -0.00154   0.00000  -0.00154   1.10073
   A50        1.46322   0.00043  -0.00078   0.00000  -0.00078   1.46244
   A51        1.57734   0.00012  -0.00691   0.00000  -0.00691   1.57043
   A52        1.81900  -0.00027  -0.00636   0.00000  -0.00636   1.81263
   A53        1.78365  -0.00014  -0.00076   0.00000  -0.00076   1.78289
   A54        1.71076   0.00011   0.00036   0.00000   0.00036   1.71112
   A55        1.64898   0.00008  -0.00078   0.00000  -0.00078   1.64820
   A56        1.24442   0.00049   0.00387   0.00000   0.00387   1.24829
   A57        1.19858   0.00081   0.01870   0.00000   0.01870   1.21728
   A58        1.95300  -0.00015  -0.01018   0.00000  -0.01018   1.94283
   A59        2.00794  -0.00057  -0.01868   0.00000  -0.01868   1.98926
   A60        0.83878   0.00016   0.00221   0.00000   0.00221   0.84098
   A61        0.77183   0.00033   0.00559   0.00000   0.00559   0.77743
   A62        2.62500   0.00023  -0.00080   0.00000  -0.00080   2.62419
   A63        2.79363   0.00040  -0.00038   0.00000  -0.00038   2.79326
   A64        2.58099   0.00174   0.02003   0.00000   0.02004   2.60103
   A65        2.40352   0.00099   0.00973   0.00000   0.00973   2.41325
   A66        2.20047   0.00082   0.01475   0.00000   0.01475   2.21522
   A67        0.86637  -0.00035  -0.00796   0.00000  -0.00796   0.85841
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   A295       1.15516  -0.00039  -0.00570   0.00000  -0.00569   1.14947
   A296       1.94739  -0.00074  -0.01369   0.00000  -0.01369   1.93370
   A297       1.89207   0.00180   0.01535   0.00000   0.01535   1.90742
   A298       1.90501  -0.00139  -0.00330   0.00000  -0.00331   1.90171
   A299       1.91964  -0.00086  -0.00998   0.00000  -0.00998   1.90966
   A300       1.89024   0.00109   0.00780   0.00000   0.00780   1.89804
   A301       1.90924   0.00010   0.00396   0.00000   0.00396   1.91321
   A302       1.64019   0.00014   0.00326   0.00000   0.00326   1.64345
   A303       1.78119   0.00054   0.02460   0.00000   0.02460   1.80579
   A304       2.19062  -0.00061  -0.00168   0.00000  -0.00168   2.18894
   A305       2.13645  -0.00002  -0.00619   0.00000  -0.00619   2.13026
   A306       1.95443   0.00074   0.00917   0.00000   0.00917   1.96360
   A307       2.10683   0.00235   0.01819   0.00000   0.01819   2.12503
   A308       2.10871   0.00090   0.01609   0.00000   0.01609   2.12481
   A309       2.06360  -0.00323  -0.03382   0.00000  -0.03381   2.02978
   A310       1.32137  -0.00111  -0.01863   0.00000  -0.01863   1.30275
   A311       3.07739  -0.00145  -0.03118   0.00000  -0.03118   3.04621
   A312       1.92460  -0.00200  -0.01277   0.00000  -0.01278   1.91182
   A313       1.93817   0.00013  -0.00845   0.00000  -0.00845   1.92972
   A314       1.92601   0.00044  -0.02512   0.00000  -0.02512   1.90089
   A315       1.87003   0.00223   0.04257   0.00000   0.04257   1.91260
   A316       1.88750   0.00068   0.02477   0.00000   0.02477   1.91228
   A317       1.91606  -0.00143  -0.01971   0.00000  -0.01970   1.89636
   A318       1.74399   0.00066   0.03105   0.00000   0.03105   1.77504
   A319       1.91681  -0.00143  -0.00024   0.00000  -0.00024   1.91657
   A320       1.93487   0.00023  -0.02176   0.00000  -0.02176   1.91312
   A321       1.92388   0.00059  -0.00276   0.00000  -0.00276   1.92112
   A322       1.87348   0.00136   0.03464   0.00000   0.03464   1.90812
   A323       1.92194  -0.00061  -0.01240   0.00000  -0.01240   1.90954
   A324       1.89212  -0.00013   0.00305   0.00000   0.00305   1.89517
   A325       2.92897   0.00036   0.00374   0.00000   0.00374   2.93271
   A326       3.35874   0.00075   0.01420   0.00000   0.01420   3.37294
   A327       3.07093   0.00079   0.01859   0.00000   0.01859   3.08953
   A328       3.19345  -0.00026   0.00685   0.00000   0.00685   3.20030
   A329       3.26325   0.00046   0.01627   0.00000   0.01626   3.27951
   A330       3.27210  -0.00032  -0.00360   0.00000  -0.00361   3.26850
   A331       3.66593   0.00005   0.01865   0.00000   0.01865   3.68458
   A332       3.26016  -0.00096  -0.01998   0.00000  -0.01998   3.24018
   A333       2.98071  -0.00122  -0.02593   0.00000  -0.02593   2.95479
   A334       2.92036  -0.00067  -0.02654   0.00000  -0.02654   2.89381
   A335       3.23145   0.00046  -0.00210   0.00000  -0.00210   3.22936
   A336       3.06763   0.00132   0.00725   0.00000   0.00725   3.07488
   A337       3.10203   0.00066   0.00091   0.00000   0.00092   3.10295
   A338       3.04497   0.00005   0.00507   0.00000   0.00507   3.05003
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    D2       -1.35531  -0.00029  -0.00568   0.00000  -0.00568  -1.36100
    D3        2.78362  -0.00011  -0.00419   0.00000  -0.00419   2.77943
    D4       -1.33214  -0.00012  -0.00787   0.00000  -0.00787  -1.34001
    D5        1.65791   0.00063   0.00316   0.00000   0.00316   1.66107
    D6       -2.45785   0.00061  -0.00052   0.00000  -0.00052  -2.45837
    D7        1.84794  -0.00012  -0.00711   0.00000  -0.00711   1.84083
    D8       -2.26782  -0.00013  -0.01080   0.00000  -0.01080  -2.27861
    D9        0.29059  -0.00114  -0.01042   0.00000  -0.01042   0.28017
   D10        2.45802  -0.00115  -0.01411   0.00000  -0.01411   2.44392
   D11        0.00882  -0.00060  -0.00251   0.00000  -0.00251   0.00632
   D12        2.17625  -0.00061  -0.00619   0.00000  -0.00619   2.17006
   D13       -0.47654   0.00085   0.01579   0.00000   0.01579  -0.46075
   D14        1.69089   0.00084   0.01210   0.00000   0.01210   1.70299
   D15       -0.59344   0.00087   0.02024   0.00000   0.02024  -0.57320
   D16        1.57399   0.00086   0.01656   0.00000   0.01655   1.59054
   D17        0.21061  -0.00086  -0.01115   0.00000  -0.01115   0.19946
   D18        2.37804  -0.00088  -0.01483   0.00000  -0.01483   2.36321
   D19        0.15025  -0.00031  -0.01176   0.00000  -0.01176   0.13849
   D20        2.31769  -0.00033  -0.01544   0.00000  -0.01545   2.30224
   D21        2.39352  -0.00024  -0.00058   0.00000  -0.00058   2.39294
   D22       -1.72223  -0.00025  -0.00426   0.00000  -0.00426  -1.72649
   D23        2.16178  -0.00041  -0.00731   0.00000  -0.00730   2.15448
   D24       -1.95397  -0.00043  -0.01099   0.00000  -0.01099  -1.96496
   D25        1.70662   0.00002   0.00064   0.00000   0.00064   1.70726
   D26       -2.40914   0.00001  -0.00304   0.00000  -0.00305  -2.41218
   D27        1.39528   0.00012   0.00392   0.00000   0.00392   1.39920
   D28       -2.72047   0.00010   0.00024   0.00000   0.00024  -2.72024
   D29        2.37572   0.00048  -0.00076   0.00000  -0.00075   2.37497
   D30       -1.74003   0.00047  -0.00444   0.00000  -0.00444  -1.74447
   D31       -1.73947  -0.00097  -0.00177   0.00000  -0.00177  -1.74123
   D32        0.42797  -0.00098  -0.00545   0.00000  -0.00545   0.42252
   D33       -2.10045   0.00073   0.00898   0.00000   0.00899  -2.09146
   D34        0.06698   0.00072   0.00530   0.00000   0.00530   0.07228
   D35       -2.47479   0.00042   0.00747   0.00000   0.00747  -2.46732
   D36       -0.30736   0.00041   0.00379   0.00000   0.00379  -0.30357
   D37       -2.77010   0.00036   0.01478   0.00000   0.01478  -2.75532
   D38       -0.60267   0.00034   0.01110   0.00000   0.01109  -0.59157
   D39       -2.11734   0.00014   0.00122   0.00000   0.00122  -2.11611
   D40        0.05009   0.00013  -0.00246   0.00000  -0.00246   0.04763
   D41       -2.36652   0.00079   0.00679   0.00000   0.00680  -2.35972
   D42       -0.19908   0.00078   0.00311   0.00000   0.00311  -0.19597
   D43        1.26853  -0.00039  -0.00219   0.00000  -0.00219   1.26634
   D44       -1.92718  -0.00031  -0.00748   0.00000  -0.00748  -1.93466
   D45        2.46252   0.00005  -0.00367   0.00000  -0.00367   2.45885
   D46       -0.73320   0.00013  -0.00896   0.00000  -0.00896  -0.74216
   D47        2.95232  -0.00028  -0.00900   0.00000  -0.00900   2.94332
   D48       -0.24339  -0.00020  -0.01429   0.00000  -0.01429  -0.25768
   D49        2.89292  -0.00083  -0.01196   0.00000  -0.01196   2.88096
   D50       -0.30280  -0.00075  -0.01725   0.00000  -0.01725  -0.32005
   D51        2.02426  -0.00104  -0.00228   0.00000  -0.00228   2.02198
   D52       -1.17145  -0.00096  -0.00757   0.00000  -0.00757  -1.17902
   D53        1.08166   0.00183   0.03253   0.00000   0.03253   1.11419
   D54       -2.11406   0.00191   0.02724   0.00000   0.02724  -2.08682
   D55        0.97445   0.00092   0.02634   0.00000   0.02634   1.00079
   D56       -2.22127   0.00100   0.02106   0.00000   0.02105  -2.20022
   D57        2.03137  -0.00092  -0.01093   0.00000  -0.01094   2.02044
   D58       -1.16434  -0.00084  -0.01622   0.00000  -0.01622  -1.18056
   D59        1.83861  -0.00037  -0.00998   0.00000  -0.00998   1.82862
   D60       -1.35711  -0.00029  -0.01527   0.00000  -0.01527  -1.37238
   D61       -2.28113  -0.00029  -0.00066   0.00000  -0.00066  -2.28179
   D62        0.80634  -0.00021  -0.00595   0.00000  -0.00595   0.80039
   D63       -2.40259  -0.00025  -0.00612   0.00000  -0.00612  -2.40871
   D64        0.68488  -0.00017  -0.01141   0.00000  -0.01141   0.67347
   D65       -2.80952   0.00017  -0.00172   0.00000  -0.00172  -2.81124
   D66        0.27795   0.00025  -0.00701   0.00000  -0.00701   0.27094
   D67       -2.98450   0.00008   0.00261   0.00000   0.00261  -2.98189
   D68        0.10297   0.00016  -0.00268   0.00000  -0.00268   0.10030
   D69       -2.12654   0.00021   0.00005   0.00000   0.00005  -2.12649
   D70        0.96093   0.00029  -0.00524   0.00000  -0.00523   0.95569
   D71       -0.14158  -0.00137  -0.00224   0.00000  -0.00224  -0.14382
   D72        2.94589  -0.00129  -0.00753   0.00000  -0.00753   2.93836
   D73       -0.55369   0.00070   0.01078   0.00000   0.01078  -0.54291
   D74        2.53378   0.00078   0.00549   0.00000   0.00549   2.53927
   D75       -0.71844   0.00015   0.00721   0.00000   0.00721  -0.71122
   D76        2.36903   0.00023   0.00192   0.00000   0.00192   2.37096
   D77       -1.05638  -0.00012   0.00690   0.00000   0.00690  -1.04948
   D78        2.03109  -0.00004   0.00161   0.00000   0.00161   2.03270
   D79       -0.83440  -0.00008   0.00701   0.00000   0.00701  -0.82739
   D80        2.25307   0.00000   0.00172   0.00000   0.00172   2.25479
   D81       -1.14914   0.00073   0.01776   0.00000   0.01776  -1.13138
   D82        1.93833   0.00081   0.01247   0.00000   0.01247   1.95080
   D83       -1.53348   0.00057   0.00173   0.00000   0.00173  -1.53174
   D84       -2.60267   0.00001  -0.00640   0.00000  -0.00640  -2.60907
   D85       -2.93407  -0.00069  -0.01421   0.00000  -0.01421  -2.94828
   D86        0.74251  -0.00050  -0.01081   0.00000  -0.01081   0.73170
   D87        0.30965  -0.00061  -0.00604   0.00000  -0.00604   0.30361
   D88       -0.09278   0.00043   0.00604   0.00000   0.00604  -0.08674
   D89       -0.43794   0.00133   0.01898   0.00000   0.01898  -0.41896
   D90        0.19661  -0.00063  -0.01046   0.00000  -0.01046   0.18615
   D91       -0.04100  -0.00024  -0.00806   0.00000  -0.00806  -0.04906
   D92        2.39991  -0.00040  -0.00331   0.00000  -0.00331   2.39660
   D93        2.06078  -0.00055  -0.00786   0.00000  -0.00786   2.05292
   D94        1.65599  -0.00004  -0.00062   0.00000  -0.00062   1.65536
   D95        1.36937   0.00013   0.00218   0.00000   0.00218   1.37155
   D96        2.06646   0.00028  -0.00294   0.00000  -0.00294   2.06352
   D97       -1.87271  -0.00174  -0.00474   0.00000  -0.00474  -1.87745
   D98       -2.42943   0.00087   0.01317   0.00000   0.01317  -2.41626
   D99       -2.64258   0.00010   0.00456   0.00000   0.00456  -2.63802
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   D101      -2.89988  -0.00006   0.01751   0.00000   0.01752  -2.88236
   D102       2.81953   0.00179   0.04258   0.00000   0.04258   2.86211
   D103      -2.87308   0.00113   0.01244   0.00000   0.01244  -2.86063
   D104       1.22468   0.00110   0.01357   0.00000   0.01357   1.23826
   D105       2.82701   0.00006   0.00929   0.00000   0.00929   2.83631
   D106       0.64159   0.00003   0.01042   0.00000   0.01042   0.65201
   D107       2.29779   0.00073   0.01294   0.00000   0.01294   2.31073
   D108       0.11236   0.00070   0.01407   0.00000   0.01407   0.12643
   D109       1.72343  -0.00093  -0.00025   0.00000  -0.00025   1.72318
   D110      -0.46200  -0.00096   0.00088   0.00000   0.00088  -0.46112
   D111       2.59880   0.00013   0.00735   0.00000   0.00735   2.60615
   D112       0.41338   0.00010   0.00848   0.00000   0.00848   0.42186
   D113       2.25452   0.00033   0.01061   0.00000   0.01061   2.26513
   D114       0.06910   0.00029   0.01174   0.00000   0.01174   0.08083
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   D116       2.49815  -0.00114  -0.01228   0.00000  -0.01228   2.48587
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   D118       2.33828  -0.00015  -0.00940   0.00000  -0.00939   2.32889
   D119      -2.74960   0.00074   0.01430   0.00000   0.01430  -2.73529
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   D121      -2.70835   0.00019   0.01508   0.00000   0.01508  -2.69327
   D122       1.38941   0.00016   0.01621   0.00000   0.01621   1.40562
   D123       1.33352   0.00016   0.00369   0.00000   0.00369   1.33721
   D124      -0.85191   0.00013   0.00482   0.00000   0.00482  -0.84709
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   D398       2.29250   0.00035  -0.00622   0.00000  -0.00622   2.28628
   D399      -0.17184   0.00016  -0.00576   0.00000  -0.00576  -0.17760
   D400       2.50183   0.00014  -0.00348   0.00000  -0.00348   2.49836
   D401       0.03750  -0.00005  -0.00302   0.00000  -0.00302   0.03448
   D402      -1.52961  -0.00084  -0.00595   0.00000  -0.00595  -1.53556
   D403       2.28924  -0.00103  -0.00549   0.00000  -0.00549   2.28375
   D404      -2.62900  -0.00017  -0.00369   0.00000  -0.00369  -2.63268
   D405       1.18985  -0.00036  -0.00323   0.00000  -0.00323   1.18662
   D406      -2.98220   0.00029  -0.00360   0.00000  -0.00360  -2.98580
   D407       0.83665   0.00010  -0.00314   0.00000  -0.00314   0.83351
   D408       1.91393  -0.00051   0.00412   0.00000   0.00412   1.91805
   D409       2.40784   0.00044   0.00531   0.00000   0.00531   2.41315
   D410       2.64240  -0.00006   0.00685   0.00000   0.00685   2.64925
   D411       2.87100   0.00040   0.01409   0.00000   0.01409   2.88510
   D412       2.84494  -0.00008  -0.01006   0.00000  -0.01007   2.83487
   D413      -2.93829  -0.00012  -0.00295   0.00000  -0.00295  -2.94124
   D414      -0.74183   0.00041   0.01488   0.00000   0.01488  -0.72695
   D415      -0.35979   0.00043   0.01176   0.00000   0.01176  -0.34803
   D416      -0.03260  -0.00040   0.00087   0.00000   0.00087  -0.03174
   D417       0.28459  -0.00140  -0.00907   0.00000  -0.00907   0.27551
   D418      -0.24474   0.00056   0.02215   0.00000   0.02215  -0.22259
   D419       0.06061   0.00012   0.02111   0.00000   0.02112   0.08173
   D420      -2.54930   0.00010   0.00742   0.00000   0.00742  -2.54188
   D421      -2.17082   0.00039   0.01047   0.00000   0.01047  -2.16034
   D422      -1.90530  -0.00011  -0.00022   0.00000  -0.00022  -1.90552
   D423      -1.58657  -0.00047  -0.00062   0.00000  -0.00062  -1.58719
   D424      -1.96846  -0.00025   0.01189   0.00000   0.01189  -1.95657
   D425       1.31154   0.00042   0.00047   0.00000   0.00048   1.31202
   D426       2.47496  -0.00055   0.00360   0.00000   0.00360   2.47855
   D427       2.93681   0.00035   0.01798   0.00000   0.01798   2.95480
   D428      -3.09522   0.00189   0.02872   0.00000   0.02871  -3.06651
   D429       0.01360   0.00166   0.00962   0.00000   0.00962   0.02322
   D430       0.06756  -0.00127  -0.02143   0.00000  -0.02143   0.04614
   D431      -3.10680  -0.00150  -0.04052   0.00000  -0.04052   3.13587
   D432      -0.05050  -0.00070  -0.03745   0.00000  -0.03745  -0.08794
   D433       2.01894   0.00054  -0.00779   0.00000  -0.00779   2.01115
   D434      -2.16421  -0.00031  -0.02107   0.00000  -0.02107  -2.18528
   D435       3.12221  -0.00046  -0.01932   0.00000  -0.01932   3.10288
   D436      -1.09154   0.00078   0.01033   0.00000   0.01033  -1.08121
   D437       1.00850  -0.00006  -0.00295   0.00000  -0.00295   1.00555
   D438      -2.37689   0.00026   0.01399   0.00000   0.01399  -2.36290
   D439      -0.28839   0.00029   0.01521   0.00000   0.01521  -0.27318
   D440       1.82236   0.00015   0.01213   0.00000   0.01213   1.83449
   D441       0.73354   0.00002  -0.00417   0.00000  -0.00417   0.72937
   D442       2.82204   0.00006  -0.00295   0.00000  -0.00295   2.81909
   D443      -1.35039  -0.00009  -0.00603   0.00000  -0.00603  -1.35642
   D444       0.01297  -0.00045  -0.01228   0.00000  -0.01228   0.00069
   D445       3.10801  -0.00039   0.00129   0.00000   0.00129   3.10930
   D446      -3.12357   0.00052   0.00503   0.00000   0.00503  -3.11854
   D447      -0.02852   0.00058   0.01860   0.00000   0.01860  -0.00992
   D448       2.40246   0.00060   0.00375   0.00000   0.00375   2.40621
   D449      -1.79071   0.00053  -0.00374   0.00000  -0.00374  -1.79446
   D450       0.33994  -0.00084  -0.02723   0.00000  -0.02723   0.31271
   D451      -0.69359   0.00049  -0.01043   0.00000  -0.01044  -0.70402
   D452       1.39643   0.00042  -0.01793   0.00000  -0.01793   1.37849
   D453      -2.75610  -0.00095  -0.04142   0.00000  -0.04142  -2.79753
   D454       2.03366   0.00023   0.02270   0.00000   0.02270   2.05635
   D455      -2.15239   0.00024   0.00796   0.00000   0.00796  -2.14443
   D456      -0.07160   0.00005   0.02104   0.00000   0.02104  -0.05056
   D457      -1.15308   0.00031   0.03654   0.00000   0.03654  -1.11655
   D458       0.94406   0.00032   0.02180   0.00000   0.02180   0.96585
   D459       3.02484   0.00013   0.03488   0.00000   0.03488   3.05973
   D460      -2.96644  -0.00212  -0.11332   0.00000  -0.11335  -3.07979
   D461       0.09273  -0.00220  -0.11452   0.00000  -0.11454  -0.02181
   D462       0.20003  -0.00277  -0.12469   0.00000  -0.12466   0.07537
   D463      -3.02398  -0.00285  -0.12589   0.00000  -0.12586   3.13335
   D464       1.98771  -0.00074  -0.06811   0.00000  -0.06811   1.91961
   D465      -2.25155   0.00091  -0.02897   0.00000  -0.02896  -2.28052
   D466      -0.10386  -0.00118  -0.08439   0.00000  -0.08440  -0.18826
   D467      -1.07665  -0.00053  -0.06503   0.00000  -0.06503  -1.14168
   D468       0.96727   0.00113  -0.02589   0.00000  -0.02589   0.94138
   D469       3.11496  -0.00096  -0.08131   0.00000  -0.08132   3.03364
   D470      -1.62479  -0.00003  -0.01405   0.00000  -0.01405  -1.63884
   D471       0.49170  -0.00038  -0.02502   0.00000  -0.02502   0.46668
   D472       2.56999  -0.00001  -0.01312   0.00000  -0.01313   2.55686
   D473       1.43904  -0.00021  -0.01623   0.00000  -0.01623   1.42281
   D474      -2.72766  -0.00056  -0.02720   0.00000  -0.02720  -2.75486
   D475      -0.64937  -0.00019  -0.01531   0.00000  -0.01530  -0.66468
   D476       0.01962  -0.00103  -0.01648   0.00000  -0.01648   0.00314
   D477      -3.02377  -0.00104  -0.02063   0.00000  -0.02063  -3.04441
   D478       3.09979   0.00097   0.01576   0.00000   0.01576   3.11555
   D479       0.05639   0.00096   0.01161   0.00000   0.01161   0.06800
   D480      -0.29235  -0.00088  -0.00928   0.00000  -0.00929  -0.30164
   D481       1.77780   0.00069   0.03006   0.00000   0.03006   1.80787
   D482      -2.37652  -0.00073  -0.01630   0.00000  -0.01631  -2.39283
   D483       2.75353  -0.00066  -0.00278   0.00000  -0.00278   2.75075
   D484      -1.45950   0.00092   0.03657   0.00000   0.03657  -1.42293
   D485       0.66936  -0.00050  -0.00980   0.00000  -0.00980   0.65956
   D486      -0.06391  -0.00078  -0.01823   0.00000  -0.01823  -0.08214
   D487       2.00352   0.00014   0.01085   0.00000   0.01085   2.01437
   D488      -2.18454   0.00052  -0.00089   0.00000  -0.00089  -2.18543
   D489      -3.10969  -0.00109  -0.02486   0.00000  -0.02486  -3.13455
   D490      -1.04226  -0.00017   0.00422   0.00000   0.00422  -1.03804
   D491       1.05287   0.00021  -0.00752   0.00000  -0.00752   1.04535
         Item               Value     Threshold  Converged?
 Maximum Force            0.013272     0.000450     NO 
 RMS     Force            0.001051     0.000300     NO 
 Maximum Displacement     0.276971     0.001800     NO 
 RMS     Displacement     0.024608     0.001200     NO 
 Predicted change in Energy=-1.189202D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:55:59 2016, MaxMem=  2952790016 cpu:         7.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.801367   -0.589565    1.661115
      2          6           0       -2.071558    1.129203   -1.357839
      3          8           0       -2.618746    0.150605   -1.895232
      4          7           0       -0.776253    1.181557   -0.943638
      5          1           0       -2.624611    2.064523   -1.138862
      6          6           0       -0.242881    2.346161   -0.236070
      7          1           0       -1.005140    3.136732   -0.198001
      8          1           0        0.041638    2.061563    0.789828
      9          1           0        0.650023    2.725287   -0.759403
     10          6           0        0.138748    0.052098   -1.125153
     11          1           0        0.709408   -0.103796   -0.196088
     12          1           0       -0.439671   -0.852373   -1.354953
     13          1           0        0.846591    0.257260   -1.945168
     14          6           0       -2.038488   -3.976488    2.661771
     15          8           0       -2.175053   -3.801350    3.884735
     16          7           0       -2.963442   -3.673612    1.710642
     17          1           0       -1.106310   -4.389921    2.227927
     18          6           0       -4.261377   -3.087116    2.054380
     19          1           0       -4.498002   -2.292896    1.328178
     20          1           0       -5.055685   -3.851064    2.012486
     21          1           0       -4.213910   -2.662690    3.065105
     22          6           0       -2.697017   -3.879407    0.286663
     23          1           0       -3.405201   -4.612575   -0.133194
     24          1           0       -2.820697   -2.925791   -0.253232
     25          1           0       -1.668932   -4.242977    0.150355
     26          6           0        1.592473    0.363615    2.592558
     27          8           0        1.445441    1.385957    3.283242
     28          7           0        1.199324   -0.891137    2.944462
     29          1           0        2.061892    0.393623    1.589475
     30          6           0        1.483406   -2.050063    2.096769
     31          1           0        2.238538   -2.698475    2.572127
     32          1           0        0.563258   -2.638686    1.950835
     33          1           0        1.853139   -1.709063    1.119870
     34          6           0        0.564375   -1.152182    4.238693
     35          1           0        1.313579   -1.462149    4.987130
     36          1           0        0.058327   -0.241679    4.584449
     37          1           0       -0.171183   -1.960611    4.119149
     38          6           0       -4.606325    1.056487    2.884359
     39          8           0       -4.850352    1.630250    1.809018
     40          7           0       -3.545716    1.319844    3.696151
     41          1           0       -5.241255    0.233313    3.269339
     42          6           0       -2.556614    2.349082    3.363561
     43          1           0       -2.634118    2.602133    2.298246
     44          1           0       -2.720311    3.254222    3.971225
     45          1           0       -1.549851    1.958780    3.577430
     46          6           0       -3.268260    0.514585    4.885532
     47          1           0       -4.068864   -0.223571    5.030491
     48          1           0       -2.305665   -0.010348    4.761157
     49          1           0       -3.202537    1.162833    5.774279
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484430   0.000000
     3  O    3.723380   1.243326   0.000000
     4  N    3.312471   1.360926   2.315853   0.000000
     5  H    3.944843   1.108441   2.057963   2.057710   0.000000
     6  C    3.827097   2.466457   3.635660   1.463366   2.562614
     7  H    4.239761   2.551989   3.794901   2.105012   2.158133
     8  H    3.344291   3.153944   4.235440   2.109089   3.290705
     9  H    4.780843   3.211325   4.313229   2.109812   3.362116
    10  C    3.455295   2.469768   2.864699   1.464873   3.418508
    11  H    3.160564   3.256337   3.745454   2.101940   4.087312
    12  H    3.319631   2.567043   2.458910   2.102222   3.650883
    13  H    4.553467   3.101747   3.467338   2.119200   3.995694
    14  C    3.539603   6.498188   6.175424   6.418538   7.161157
    15  O    3.924244   7.197615   7.015898   7.078078   7.736091
    16  N    3.296092   5.768714   5.267425   5.949929   6.415658
    17  H    3.904752   6.652079   6.316983   6.419433   7.436421
    18  C    3.527615   5.849435   5.364746   6.273418   6.278151
    19  H    3.206871   4.981273   4.460119   5.575337   5.346305
    20  H    4.620761   6.713209   6.101007   7.237367   7.129887
    21  H    3.476982   6.207299   5.921496   6.531902   6.522711
    22  C    3.676189   5.308650   4.583425   5.551246   6.112910
    23  H    4.687903   6.020496   5.139179   6.414059   6.797376
    24  H    3.187744   4.268998   3.493015   4.639690   5.072083
    25  H    3.955674   5.594380   4.938637   5.605289   6.508454
    26  C    3.646133   5.442140   6.157921   4.334117   5.882209
    27  O    4.132281   5.828795   6.697784   4.779563   6.048205
    28  N    3.277509   5.769770   6.251841   4.828694   6.327080
    29  H    3.987049   5.129635   5.840429   3.884915   5.674420
    30  C    3.621130   5.888958   6.132427   4.979307   6.653941
    31  H    4.647394   6.976581   7.188029   6.041872   7.752923
    32  H    3.142337   5.664501   5.718175   4.976597   6.467528
    33  H    3.860264   5.440409   5.704995   4.418988   6.276311
    34  C    3.543612   6.593485   7.032393   5.839536   7.030998
    35  H    4.639684   7.644141   8.088947   6.821333   8.091634
    36  H    3.482150   6.459606   7.021885   5.769044   6.728522
    37  H    3.252568   6.569306   6.827926   5.989252   7.061707
    38  C    3.474709   4.942325   5.255052   5.416517   4.596698
    39  O    3.774356   4.242844   4.570654   4.937278   3.719208
    40  N    3.290891   5.268045   5.787050   5.405246   4.977985
    41  H    3.885401   5.679822   5.792856   6.211649   5.443564
    42  C    3.479133   4.900511   5.700181   4.804660   4.511919
    43  H    3.359516   3.981577   4.857518   3.997438   3.478911
    44  H    4.577747   5.773692   6.637626   5.677251   5.247622
    45  H    3.198372   5.031626   5.861916   4.652159   4.838357
    46  C    3.710498   6.386669   6.821518   6.374494   6.253793
    47  H    4.077768   6.828616   7.085794   6.964617   6.736628
    48  H    3.193755   6.228604   6.665691   6.025315   6.262352
    49  H    4.685328   7.221313   7.758016   7.142662   6.995611
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098859   0.000000
     8  H    1.102004   1.796535   0.000000
     9  H    1.102221   1.795557   1.791864   0.000000
    10  C    2.489746   3.418049   2.777504   2.746109   0.000000
    11  H    2.628830   3.666157   2.471179   2.885232   1.101416
    12  H    3.394296   4.191808   3.650036   3.787052   1.097927
    13  H    2.910580   3.843548   3.373968   2.745148   1.102523
    14  C    7.183145   7.735890   6.655009   7.990388   5.942277
    15  O    7.648936   8.134766   6.990416   8.493884   6.730655
    16  N    6.886857   7.338845   6.539926   7.752687   5.616603
    17  H    7.224375   7.908594   6.708767   7.914229   5.703056
    18  C    7.135472   7.376488   6.828171   8.113153   6.270981
    19  H    6.486430   6.634015   6.313434   7.486141   5.746066
    20  H    8.162395   8.373916   7.901693   9.137115   7.215372
    21  H    7.194123   7.387649   6.753157   8.204572   6.623743
    22  C    6.712207   7.233502   6.561137   7.477895   5.048913
    23  H    7.644269   8.112721   7.568142   8.407210   5.941610
    24  H    5.868468   6.328783   5.844197   6.651074   4.287935
    25  H    6.752754   7.417687   6.563703   7.400130   4.831387
    26  C    3.911540   4.714339   2.921977   4.207297   4.003965
    27  O    4.019700   4.603218   2.940106   4.332375   4.787544
    28  N    4.761916   5.564033   3.834204   5.205658   4.310021
    29  H    3.529448   4.486246   2.739140   3.598230   3.344298
    30  C    5.267731   6.193681   4.548874   5.626386   4.075287
    31  H    6.284248   7.228050   5.537230   6.560463   5.064055
    32  H    5.502828   6.358681   4.869534   6.010418   4.108800
    33  H    4.762008   5.778259   4.196199   4.964133   3.328807
    34  C    5.737035   6.367293   4.743003   6.326378   5.513828
    35  H    6.648881   7.308334   5.625987   7.141258   6.405714
    36  H    5.479511   5.951172   4.438958   6.140826   5.717720
    37  H    6.125468   6.731729   5.225663   6.814124   5.625812
    38  C    5.517244   5.176572   5.196229   6.609923   6.292909
    39  O    5.091532   4.591651   5.015610   6.168469   5.999253
    40  N    5.236831   4.991996   4.676106   6.279446   6.198985
    41  H    6.460322   6.196528   6.115507   7.559619   6.949017
    42  C    4.279102   3.963860   3.668471   5.236686   5.717488
    43  H    3.493751   3.028302   3.118848   4.488871   5.090297
    44  H    4.966243   4.509774   4.378594   5.832475   6.663399
    45  H    4.049817   3.992262   3.211562   4.922916   5.347999
    46  C    6.224018   6.151396   5.488475   7.218409   6.924590
    47  H    6.998452   6.929298   6.332558   8.030351   7.461364
    48  H    5.897499   6.015707   5.057084   6.833474   6.373987
    49  H    6.803244   6.662804   6.014744   7.744190   7.745973
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795471   0.000000
    13  H    1.791218   1.798362   0.000000
    14  C    5.542205   5.333890   6.890006   0.000000
    15  O    6.216522   6.257983   7.719483   1.242966   0.000000
    16  N    5.465257   4.871004   6.582784   1.360853   2.316152
    17  H    5.248195   5.078945   6.544068   1.108198   2.057581
    18  C    6.218803   5.587760   7.298806   2.470049   2.865847
    19  H    5.850869   5.073889   6.766295   3.265296   3.769285
    20  H    7.221920   6.452859   8.208423   3.088816   3.435962
    21  H    6.436022   6.087614   7.696597   2.573170   2.474930
    22  C    5.108034   4.117456   5.886445   2.466621   3.636573
    23  H    6.104347   4.942285   6.713886   3.175585   4.279615
    24  H    4.519797   3.343970   5.142320   3.195788   4.278579
    25  H    4.786371   3.908098   5.565178   2.552410   3.794310
    26  C    2.962233   4.603376   4.599849   5.659078   5.762891
    27  O    3.855755   5.484216   5.382272   6.424936   6.354363
    28  N    3.274596   4.601388   5.035049   4.481375   4.554104
    29  H    2.294531   4.059554   3.740221   6.087759   6.388875
    30  C    3.105515   4.128810   4.697502   4.053897   4.432624
    31  H    4.090674   5.099299   5.574930   4.464784   4.734876
    32  H    3.325103   3.889089   4.862676   3.010685   3.548253
    33  H    2.369968   3.480753   3.778098   4.760613   5.314929
    34  C    4.559324   5.690946   6.348725   4.151902   3.827251
    35  H    5.392207   6.608156   7.157597   4.792239   4.342544
    36  H    4.826640   5.991447   6.595922   4.694904   4.260146
    37  H    4.779590   5.591607   6.536877   3.110393   2.731074
    38  C    6.252394   6.243118   7.327850   5.654571   5.523623
    39  O    6.159407   5.968939   6.959466   6.330030   6.400633
    40  N    5.939895   6.315036   7.228133   5.602928   5.304800
    41  H    6.894434   6.754109   8.015829   5.324404   5.104783
    42  C    5.417990   6.082362   6.643803   6.385436   6.184256
    43  H    4.972215   5.485898   5.968277   6.615526   6.613039
    44  H    6.356553   7.101663   7.530490   7.379887   7.077138
    45  H    4.857768   5.784763   6.255973   6.025330   5.802104
    46  C    6.482832   6.986641   7.978514   5.160155   4.563332
    47  H    7.082610   7.371589   8.547088   4.880333   4.207111
    48  H    5.802903   6.449631   7.415061   4.495450   3.893183
    49  H    7.249342   7.906987   8.763867   6.120077   5.410104
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056605   0.000000
    18  C    1.465185   3.417874   0.000000
    19  H    2.099411   4.087864   1.101883   0.000000
    20  H    2.121339   3.991785   1.102859   1.790859   0.000000
    21  H    2.102428   3.652584   1.097250   1.798436   1.796894
    22  C    1.463232   2.561147   2.489934   2.616356   2.922770
    23  H    2.115782   3.302933   2.800989   2.951395   2.812106
    24  H    2.106279   3.352454   2.725189   2.390558   3.314330
    25  H    2.105809   2.157415   3.417908   3.632316   3.884743
    26  C    6.150882   5.478366   6.816505   6.763844   7.892909
    27  O    6.892791   6.402022   7.354336   7.258150   8.444280
    28  N    5.156850   4.250983   5.952631   6.085788   6.982470
    29  H    6.466148   5.772990   7.232939   7.093509   8.297965
    30  C    4.749681   3.492674   5.837791   6.035473   6.783099
    31  H    5.362243   3.763970   6.532074   6.862424   7.405900
    32  H    3.683256   2.435377   4.846536   5.111127   5.748581
    33  H    5.235258   4.144047   6.337164   6.381320   7.288127
    34  C    5.019378   4.161409   5.639422   5.949789   6.620049
    35  H    5.823990   4.694775   6.505511   6.917553   7.424483
    36  H    5.400743   4.910956   5.758264   5.964136   6.767258
    37  H    4.065956   3.217566   4.718260   5.159583   5.645371
    38  C    5.143006   6.507254   4.239964   3.694834   5.004612
    39  O    5.630369   7.101816   4.760319   3.968177   5.488931
    40  N    5.405172   6.380265   4.756982   4.423350   5.643848
    41  H    4.783516   6.289403   3.668996   3.271431   4.277411
    42  C    6.258633   6.986215   5.845718   5.427681   6.820012
    43  H    6.311791   7.157371   5.922415   5.326950   6.898507
    44  H    7.291381   8.004812   6.801599   6.396593   7.731476
    45  H    6.099752   6.505681   5.927319   5.641584   6.963778
    46  C    5.264394   5.982564   4.687639   4.695635   5.523421
    47  H    4.913872   5.830057   4.134512   4.263025   4.820879
    48  H    4.812257   5.199650   4.540700   4.669230   5.465245
    49  H    6.321512   6.914034   5.746378   5.778244   6.536391
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391328   0.000000
    23  H    3.832125   1.102425   0.000000
    24  H    3.608549   1.102800   1.789215   0.000000
    25  H    4.179712   1.098964   1.797674   1.795668   0.000000
    26  C    6.564747   6.459110   7.561014   6.196353   6.149944
    27  O    6.961852   7.339176   8.437010   7.021237   7.155362
    28  N    5.697021   5.583468   6.672534   5.525001   5.221949
    29  H    7.134720   6.527121   7.610434   6.184962   6.122759
    30  C    5.811402   4.909065   5.952955   4.981437   4.305187
    31  H    6.471351   5.565756   6.544794   5.799154   4.849617
    32  H    4.905456   3.865003   4.897763   4.048641   3.286054
    33  H    6.442238   5.109652   6.136016   5.021014   4.445860
    34  C    5.146936   5.804565   6.844359   5.897610   5.590634
    35  H    5.973995   6.634938   7.642629   6.833439   6.326355
    36  H    5.140205   6.268648   7.304581   6.236698   6.217315
    37  H    4.236456   4.974894   5.964412   5.202809   4.817030
    38  C    3.744186   5.895467   6.533497   5.375080   6.647359
    39  O    4.517980   6.108251   6.695783   5.397211   6.882397
    40  N    4.087208   6.275117   7.062380   5.843688   6.858568
    41  H    3.079607   5.681898   6.199270   5.314842   6.521252
    42  C    5.287112   6.948459   7.836584   6.401189   7.387010
    43  H    5.549971   6.786809   7.652351   6.091207   7.238823
    44  H    6.169420   8.029023   8.899541   7.486567   8.480121
    45  H    5.358886   6.799232   7.771341   6.336249   7.086665
    46  C    3.781968   6.386163   7.175942   6.200275   6.900301
    47  H    3.135774   6.144184   6.809364   6.064458   6.762472
    48  H    3.681427   5.928226   6.807653   5.823158   6.291270
    49  H    4.795532   7.469516   8.264058   7.293391   7.950048
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242516   0.000000
    28  N    1.361179   2.315276   0.000000
    29  H    1.107895   2.057568   2.056848   0.000000
    30  C    2.466485   3.635298   1.463693   2.561951   0.000000
    31  H    3.129571   4.221051   2.117798   3.249289   1.103008
    32  H    3.238040   4.330278   2.108506   3.401674   1.102019
    33  H    2.555925   3.798097   2.103714   2.164577   1.098778
    34  C    2.462598   2.851545   1.465038   3.413272   2.497729
    35  H    3.024099   3.321495   2.124053   3.943086   2.954433
    36  H    2.586042   2.503282   2.100768   3.658927   3.389640
    37  H    3.292870   3.809427   2.098083   4.114401   2.614516
    38  C    6.244223   6.073841   6.123921   6.825045   6.881554
    39  O    6.612737   6.470705   6.651706   7.025423   7.331030
    40  N    5.341654   5.008644   5.288560   6.061455   6.261498
    41  H    6.868395   6.785329   6.546066   7.495572   7.197902
    42  C    4.663845   4.117099   4.978125   5.319944   6.105653
    43  H    4.791832   4.369452   5.226453   5.237594   6.215910
    44  H    5.371819   4.617058   5.796704   6.060135   7.022839
    45  H    3.659061   3.063732   4.010067   4.409804   5.240595
    46  C    5.376546   5.054266   5.069824   6.268106   6.077249
    47  H    6.191853   6.004251   5.705345   7.057457   6.539917
    48  H    4.476400   4.266697   4.044887   5.412792   5.061271
    49  H    5.809839   5.278140   5.621658   6.768936   6.767929
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787776   0.000000
    33  H    1.799032   1.794017   0.000000
    34  C    2.823347   2.728367   3.420246   0.000000
    35  H    2.866407   3.341602   3.912517   1.103424   0.000000
    36  H    3.852091   3.596737   4.168677   1.097564   1.796485
    37  H    2.957106   2.387629   3.627235   1.099497   1.790635
    38  C    7.813410   6.422644   7.244748   5.783475   6.768341
    39  O    8.341016   6.895730   7.520819   6.554732   7.593245
    40  N    7.132174   5.966552   6.705157   4.826811   5.746204
    41  H    8.064043   6.609023   7.663124   6.046866   6.985073
    42  C    7.006974   6.050390   6.399110   4.771297   5.669202
    43  H    7.205154   6.148991   6.333282   5.300055   6.271587
    44  H    7.872881   7.042028   7.326723   5.502463   6.288759
    45  H    6.087081   5.314859   5.574317   3.819071   4.678594
    46  C    6.782361   5.765075   6.734505   4.229138   4.991097
    47  H    7.207775   6.064125   7.250501   4.791260   5.523283
    48  H    5.715563   4.799665   5.782755   3.132712   3.906113
    49  H    7.400593   6.576586   7.447898   4.680486   5.282561
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795524   0.000000
    38  C    5.131717   5.504369   0.000000
    39  O    5.941571   6.334478   1.243025   0.000000
    40  N    4.026978   4.725228   1.361343   2.315102   0.000000
    41  H    5.480940   5.589375   1.108585   2.058343   2.058536
    42  C    3.878212   4.983437   2.470173   2.862614   1.465697
    43  H    4.534673   5.495487   2.573354   2.468925   2.104617
    44  H    4.507571   5.806412   3.093278   3.442311   2.121033
    45  H    2.905571   4.189965   3.261367   3.758792   2.099002
    46  C    3.424729   4.038047   2.467544   3.634923   1.462891
    47  H    4.151264   4.363459   2.556031   3.798061   2.106247
    48  H    2.381848   2.961708   3.154924   4.228726   2.107457
    49  H    3.744542   4.656659   3.214587   4.319383   2.112118
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419452   0.000000
    43  H    3.653970   1.097697   0.000000
    44  H    3.996711   1.102421   1.797640   0.000000
    45  H    4.086394   1.100748   1.796066   1.789755   0.000000
    46  C    2.565912   2.487612   3.384382   2.939697   2.598029
    47  H    2.164463   3.418201   4.184288   3.877588   3.635858
    48  H    3.301906   2.753754   3.605395   3.384279   2.418663
    49  H    3.360819   2.763325   3.804930   2.803115   2.862001
                   46         47         48         49
    46  C    0.000000
    47  H    1.098570   0.000000
    48  H    1.103455   1.796351   0.000000
    49  H    1.102006   1.796068   1.790852   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2151673      0.1955080      0.1839044
 Leave Link  202 at Mon Nov 14 04:55:59 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1849.6998630287 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1845456177 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1849.5153174110 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4030
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.11D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     210
 GePol: Fraction of low-weight points (<1% of avg)   =       5.21%
 GePol: Cavity surface area                          =    468.671 Ang**2
 GePol: Cavity volume                                =    458.605 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040432601 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1849.5112741508 Hartrees.
 Leave Link  301 at Mon Nov 14 04:55:59 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   448   448   448   448   448 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:56:00 2016, MaxMem=  2952790016 cpu:        14.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:56:00 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Lowest energy guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000020   -0.000006   -0.000032
         Rot=    1.000000    0.000001   -0.000005    0.000002 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 B after Tr=    -0.002026   -0.000808    0.002514
         Rot=    1.000000    0.000157    0.000419   -0.000170 Ang=   0.05 deg.
 Guess basis will be translated and rotated to current coordinates.
 CkInt1:  FT= 1.18D-02
 Max alpha theta=  4.574 degrees.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 04:56:01 2016, MaxMem=  2952790016 cpu:        11.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48722700.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.55D-15 for   2337.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.00D-14 for   2294    512.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.33D-15 for     65.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.21D-10 for   3400   3369.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.11D-14 for   2701.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.20D-14 for   2224    133.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2798.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.59D-16 for   2337    140.
 E= -1013.45142200409    
 DIIS: error= 3.77D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45142200409     IErMin= 1 ErrMin= 3.77D-06
 ErrMax= 3.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-08 BMatP= 1.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=    17.291 Goal=   None    Shift=    0.000
 RMSDP=8.87D-07 MaxDP=7.75D-05              OVMax= 6.81D-05

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.85D-07    CP:  1.00D+00
 E= -1013.45142198128     Delta-E=        0.000000022809 Rises=F Damp=F
 DIIS: error= 7.80D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 1 EnMin= -1013.45142200409     IErMin= 1 ErrMin= 3.77D-06
 ErrMax= 7.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.06D-08 BMatP= 1.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.673D+00 0.327D+00
 Coeff:      0.673D+00 0.327D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.04D-07 MaxDP=6.03D-05 DE= 2.28D-08 OVMax= 7.63D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.74D-07    CP:  1.00D+00  5.80D-01
 E= -1013.45142201117     Delta-E=       -0.000000029894 Rises=F Damp=F
 DIIS: error= 2.58D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1013.45142201117     IErMin= 3 ErrMin= 2.58D-06
 ErrMax= 2.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.00D-09 BMatP= 1.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D+00 0.235D+00 0.641D+00
 Coeff:      0.123D+00 0.235D+00 0.641D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.99D-07 MaxDP=1.52D-05 DE=-2.99D-08 OVMax= 3.12D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.04D-07    CP:  1.00D+00  6.82D-01  7.00D-01
 E= -1013.45142201387     Delta-E=       -0.000000002700 Rises=F Damp=F
 DIIS: error= 1.60D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45142201387     IErMin= 4 ErrMin= 1.60D-06
 ErrMax= 1.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.46D-10 BMatP= 4.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.152D-01 0.130D+00 0.442D+00 0.413D+00
 Coeff:      0.152D-01 0.130D+00 0.442D+00 0.413D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.79D-08 MaxDP=6.87D-06 DE=-2.70D-09 OVMax= 9.87D-06

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.51D-08    CP:  1.00D+00  6.72D-01  7.48D-01  4.42D-01
 E= -1013.45142201460     Delta-E=       -0.000000000729 Rises=F Damp=F
 DIIS: error= 2.75D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45142201460     IErMin= 5 ErrMin= 2.75D-07
 ErrMax= 2.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-11 BMatP= 7.46D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.178D-02 0.598D-01 0.206D+00 0.228D+00 0.504D+00
 Coeff:      0.178D-02 0.598D-01 0.206D+00 0.228D+00 0.504D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.55D-08 MaxDP=1.15D-06 DE=-7.29D-10 OVMax= 1.24D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.29D-08    CP:  1.00D+00  6.74D-01  7.49D-01  4.38D-01  6.71D-01
 E= -1013.45142201459     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 4.33D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 5 EnMin= -1013.45142201460     IErMin= 6 ErrMin= 4.33D-08
 ErrMax= 4.33D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-12 BMatP= 1.91D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.662D-04 0.203D-01 0.685D-01 0.850D-01 0.261D+00 0.565D+00
 Coeff:     -0.662D-04 0.203D-01 0.685D-01 0.850D-01 0.261D+00 0.565D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.87D-09 MaxDP=2.16D-07 DE= 9.09D-12 OVMax= 2.57D-07

 Error on total polarization charges =  0.04315
 SCF Done:  E(RB97D) =  -1013.45142201     A.U. after    6 cycles
            NFock=  6  Conv=0.49D-08     -V/T= 2.0213
 KE= 9.923484842585D+02 PE=-6.030559416294D+03 EE= 2.175248235870D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 04:57:25 2016, MaxMem=  2952790016 cpu:       941.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37503.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     366
 Leave Link  701 at Mon Nov 14 04:57:33 2016, MaxMem=  2952790016 cpu:        96.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 04:57:33 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 04:58:10 2016, MaxMem=  2952790016 cpu:       442.7
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.22881047D+00-2.55569727D+00 3.32099227D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000015081   -0.000134994   -0.000244936
      2        6           0.000059077    0.000110511   -0.000013092
      3        8          -0.000003230   -0.000043334    0.000004898
      4        7          -0.000090130    0.000000590    0.000089096
      5        1           0.000020547    0.000012172   -0.000036831
      6        6          -0.000017684    0.000002188    0.000033952
      7        1           0.000018114    0.000012159   -0.000003691
      8        1           0.000024513    0.000039237    0.000031430
      9        1           0.000033201   -0.000022326    0.000031288
     10        6           0.000093728   -0.000023806    0.000082566
     11        1          -0.000002673    0.000102685    0.000016574
     12        1           0.000043333    0.000039542   -0.000031375
     13        1           0.000013434    0.000024610    0.000012044
     14        6          -0.000035652    0.000006880    0.000099007
     15        8          -0.000034539   -0.000017305    0.000007623
     16        7          -0.000161381    0.000051341   -0.000076970
     17        1          -0.000004019   -0.000005690   -0.000037833
     18        6           0.000054124    0.000090337   -0.000149423
     19        1           0.000018768   -0.000044148    0.000114033
     20        1           0.000020818   -0.000008326   -0.000038515
     21        1           0.000038088    0.000048805   -0.000000703
     22        6          -0.000032923    0.000114823   -0.000113221
     23        1           0.000021243   -0.000029262    0.000024078
     24        1           0.000075921   -0.000046002   -0.000009064
     25        1           0.000006665    0.000042850    0.000032630
     26        6          -0.000031931   -0.000076114   -0.000035367
     27        8          -0.000072268   -0.000030894    0.000046540
     28        7           0.000011510    0.000071164   -0.000019592
     29        1           0.000040186    0.000042191    0.000028381
     30        6          -0.000068718   -0.000045909   -0.000029361
     31        1          -0.000004873    0.000004036    0.000037252
     32        1           0.000012732    0.000017128    0.000046332
     33        1           0.000015089    0.000005308    0.000038393
     34        6          -0.000057998   -0.000039316   -0.000020470
     35        1           0.000002650    0.000005189    0.000019613
     36        1          -0.000028086   -0.000052940   -0.000005750
     37        1           0.000000226   -0.000069040    0.000010579
     38        6           0.000075463   -0.000064075    0.000089605
     39        8           0.000070063    0.000012937    0.000025032
     40        7          -0.000078611    0.000088989   -0.000220842
     41        1           0.000001186    0.000041380    0.000042714
     42        6           0.000026644   -0.000189797    0.000052792
     43        1          -0.000007541    0.000073845    0.000019791
     44        1          -0.000040875    0.000039381   -0.000014781
     45        1          -0.000005288    0.000020037    0.000021478
     46        6           0.000092380   -0.000051964    0.000190524
     47        1          -0.000011875   -0.000047246   -0.000089253
     48        1          -0.000072865   -0.000062653   -0.000025929
     49        1          -0.000011463   -0.000015175   -0.000031245
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000244936 RMS     0.000061728
 Leave Link  716 at Mon Nov 14 04:58:10 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000124264 RMS     0.000015584
 Search for a local minimum.
 Step number 110 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15584D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   81   82   83   84   85
                                                     86   87   88   89   90
                                                     91   92   93   94   95
                                                     96   97   98   99  100
                                                    101  102  103  104  105
                                                    106  108  109  107  110
 ITU=  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1
 ITU=  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0
 ITU=  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00000   0.00000   0.00012   0.00052   0.00085
     Eigenvalues ---    0.00094   0.00111   0.00158   0.00178   0.00202
     Eigenvalues ---    0.00239   0.00275   0.00347   0.00434   0.00448
     Eigenvalues ---    0.00534   0.00611   0.00653   0.00811   0.00836
     Eigenvalues ---    0.00855   0.00885   0.00970   0.01033   0.01074
     Eigenvalues ---    0.01176   0.01216   0.01244   0.01329   0.01395
     Eigenvalues ---    0.01524   0.01614   0.01663   0.01755   0.01791
     Eigenvalues ---    0.01815   0.01843   0.01864   0.01940   0.02056
     Eigenvalues ---    0.02146   0.02300   0.02314   0.02401   0.02465
     Eigenvalues ---    0.02523   0.02610   0.03023   0.03085   0.03267
     Eigenvalues ---    0.03900   0.04373   0.04531   0.04806   0.05355
     Eigenvalues ---    0.05579   0.05873   0.05946   0.06168   0.06281
     Eigenvalues ---    0.06544   0.06771   0.06897   0.07238   0.07440
     Eigenvalues ---    0.07527   0.07670   0.07895   0.08030   0.08093
     Eigenvalues ---    0.08386   0.08457   0.08750   0.08837   0.08916
     Eigenvalues ---    0.09299   0.09367   0.09496   0.09711   0.09818
     Eigenvalues ---    0.09939   0.10222   0.10461   0.10554   0.10800
     Eigenvalues ---    0.10898   0.11239   0.11266   0.11524   0.13078
     Eigenvalues ---    0.13309   0.14061   0.14518   0.14950   0.15274
     Eigenvalues ---    0.15341   0.15529   0.20738   0.22582   0.22702
     Eigenvalues ---    0.23537   0.24449   0.24674   0.25090   0.26459
     Eigenvalues ---    0.26887   0.27146   0.28124   0.28896   0.29420
     Eigenvalues ---    0.29791   0.30395   0.32793   0.32818   0.32833
     Eigenvalues ---    0.32941   0.33293   0.33335   0.33358   0.33371
     Eigenvalues ---    0.33392   0.33421   0.33465   0.33504   0.33729
     Eigenvalues ---    0.33810   0.33818   0.33840   0.33941   0.33949
     Eigenvalues ---    0.34076   0.34204   0.34243   0.35935   0.38361
     Eigenvalues ---    0.40441   0.40882   0.85912   0.86169   0.86561
     Eigenvalues ---    0.89940
 RFO step:  Lambda=-3.48301553D-05 EMin= 6.58532120D-07
 Quartic linear search produced a step of  0.02479.
 Maximum step size (   0.226) exceeded in Quadratic search.
    -- Step size scaled by   0.476
 Iteration  1 RMS(Cart)=  0.01711598 RMS(Int)=  0.00046797
 Iteration  2 RMS(Cart)=  0.00030351 RMS(Int)=  0.00018352
 Iteration  3 RMS(Cart)=  0.00000031 RMS(Int)=  0.00018352
 ITry= 1 IFail=0 DXMaxC= 1.25D-01 DCOld= 1.00D+10 DXMaxT= 2.26D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58462   0.00004   0.00001  -0.00775  -0.00774   6.57688
    R2        6.25966  -0.00001   0.00000  -0.01048  -0.01034   6.24932
    R3        7.23217  -0.00001   0.00001  -0.03621  -0.03606   7.19610
    R4        6.31979   0.00002   0.00001  -0.04998  -0.05000   6.26979
    R5        6.52956  -0.00001  -0.00001  -0.00033  -0.00032   6.52925
    R6        5.97260  -0.00001  -0.00001   0.01999   0.02000   5.99260
    R7        6.68888  -0.00001  -0.00002  -0.00957  -0.00945   6.67942
    R8        6.22871  -0.00003  -0.00002  -0.00167  -0.00154   6.22717
    R9        6.66623  -0.00007  -0.00002   0.00040   0.00031   6.66654
   R10        6.06011  -0.00003  -0.00002   0.00928   0.00921   6.06932
   R11        6.94699  -0.00004  -0.00001  -0.00872  -0.00865   6.93834
   R12        6.02396   0.00001  -0.00001  -0.00406  -0.00407   6.01989
   R13        6.89019  -0.00006   0.00001  -0.00173  -0.00173   6.88846
   R14        6.19359  -0.00003   0.00001  -0.00360  -0.00372   6.18988
   R15        6.84294   0.00001  -0.00001  -0.01952  -0.01982   6.82312
   R16        5.93816   0.00001  -0.00002   0.00188   0.00209   5.94024
   R17        6.69646  -0.00004   0.00002   0.01103   0.01099   6.70744
   R18        6.56625  -0.00004  -0.00001  -0.01471  -0.01470   6.55155
   R19        6.21888  -0.00002  -0.00001  -0.00622  -0.00620   6.21269
   R20        6.57461  -0.00001   0.00000  -0.00949  -0.00943   6.56518
   R21        6.04405   0.00002   0.00000   0.00501   0.00513   6.04917
   R22        7.01182  -0.00001  -0.00002   0.00746   0.00740   7.01922
   R23        6.03532  -0.00002  -0.00001   0.01823   0.01820   6.05352
   R24        2.34955   0.00006   0.00000  -0.00001  -0.00001   2.34953
   R25        2.57178  -0.00002  -0.00001  -0.00010  -0.00025   2.57153
   R26        2.09465  -0.00001   0.00000  -0.00005  -0.00005   2.09460
   R27        2.76536  -0.00002   0.00000   0.00202   0.00176   2.76712
   R28        2.76821   0.00002   0.00000   0.00166   0.00165   2.76986
   R29        2.07654   0.00000   0.00000  -0.00005  -0.00005   2.07649
   R30        2.08249   0.00000   0.00000  -0.00158  -0.00198   2.08050
   R31        2.08290   0.00000   0.00000  -0.00049  -0.00049   2.08241
   R32        2.08137  -0.00004   0.00000  -0.00033  -0.00033   2.08104
   R33        2.07478  -0.00003   0.00000   0.00014   0.00014   2.07492
   R34        2.08347   0.00000   0.00000  -0.00012  -0.00012   2.08334
   R35        2.34887   0.00003   0.00000   0.00012   0.00011   2.34898
   R36        2.57164   0.00006   0.00000  -0.00037  -0.00134   2.57030
   R37        2.09419   0.00001   0.00000   0.00011   0.00011   2.09430
   R38        2.76880  -0.00009   0.00002   0.00122   0.00178   2.77057
   R39        2.76511  -0.00001   0.00001   0.00072   0.00030   2.76541
   R40        2.08226  -0.00009   0.00001  -0.00013   0.00004   2.08230
   R41        2.08410  -0.00001   0.00000  -0.00005  -0.00005   2.08405
   R42        2.07350   0.00004   0.00000  -0.00068  -0.00068   2.07282
   R43        2.08328   0.00000   0.00000  -0.00005  -0.00005   2.08323
   R44        2.08399  -0.00004   0.00000  -0.00014  -0.00002   2.08397
   R45        2.07674  -0.00001   0.00000   0.00006   0.00006   2.07680
   R46        2.34801   0.00000   0.00000  -0.00005  -0.00005   2.34797
   R47        2.57226  -0.00003   0.00000   0.00012   0.00013   2.57239
   R48        2.09362   0.00001   0.00000   0.00002   0.00002   2.09364
   R49        2.76598  -0.00002   0.00001   0.00114   0.00124   2.76722
   R50        2.76852   0.00002   0.00000  -0.00019  -0.00008   2.76844
   R51        2.08438   0.00001   0.00000   0.00001   0.00001   2.08440
   R52        2.08251  -0.00001   0.00000   0.00111   0.00175   2.08427
   R53        2.07639  -0.00002   0.00000   0.00006   0.00006   2.07645
   R54        2.08517   0.00001   0.00000  -0.00001  -0.00002   2.08515
   R55        2.07410  -0.00003   0.00000   0.00021   0.00021   2.07431
   R56        2.07775   0.00003   0.00000  -0.00024  -0.00024   2.07751
   R57        2.34898  -0.00004   0.00000  -0.00083  -0.00084   2.34814
   R58        2.57257  -0.00012   0.00002   0.00170   0.00175   2.57432
   R59        2.09492  -0.00002   0.00000  -0.00014  -0.00014   2.09478
   R60        2.76977  -0.00004   0.00000   0.00021  -0.00004   2.76973
   R61        2.76446   0.00008   0.00000   0.00061   0.00057   2.76503
   R62        2.07435   0.00001   0.00000  -0.00024  -0.00024   2.07410
   R63        2.08327   0.00003   0.00000   0.00016   0.00016   2.08343
   R64        2.08011   0.00000   0.00000   0.00047   0.00033   2.08045
   R65        2.07600   0.00001   0.00000  -0.00019  -0.00019   2.07580
   R66        2.08523  -0.00004   0.00001   0.00057   0.00055   2.08578
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    A5        2.36276   0.00001   0.00000   0.01748   0.01691   2.37968
    A6        2.03445   0.00000   0.00000   0.00887   0.00866   2.04311
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    A8        1.67785   0.00001   0.00000  -0.01015  -0.01005   1.66779
    A9        1.66956   0.00000   0.00000   0.01403   0.01411   1.68367
   A10        1.38615   0.00000   0.00000   0.01226   0.01236   1.39851
   A11        1.73611   0.00000   0.00000   0.00443   0.00432   1.74043
   A12        2.04388   0.00000   0.00000   0.00621   0.00608   2.04996
   A13        1.95360   0.00000   0.00000   0.00755   0.00739   1.96100
   A14        2.04867   0.00001   0.00000   0.01613   0.01593   2.06461
   A15        2.43457   0.00001   0.00000   0.00431   0.00420   2.43878
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   A17        1.78081   0.00000   0.00000  -0.00242  -0.00240   1.77841
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   A19        1.70338   0.00000   0.00000   0.00367   0.00361   1.70698
   A20        2.18398   0.00001   0.00000  -0.00287  -0.00287   2.18111
   A21        2.40281   0.00001   0.00001  -0.00289  -0.00293   2.39988
   A22        0.64471   0.00000   0.00000   0.00352   0.00336   0.64807
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   A27        2.05171   0.00001   0.00000  -0.00797  -0.00794   2.04377
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   A32        1.60033   0.00001   0.00000   0.00815   0.00803   1.60836
   A33        1.76022   0.00001   0.00000   0.01706   0.01690   1.77712
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   A37        1.57114   0.00000   0.00000   0.00317   0.00322   1.57436
   A38        1.59159   0.00000  -0.00001   0.00746   0.00745   1.59903
   A39        2.27388   0.00001   0.00000   0.00278   0.00276   2.27664
   A40        2.36766   0.00001   0.00001   0.00239   0.00236   2.37002
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   A42        0.74852  -0.00002   0.00000   0.00103   0.00100   0.74952
   A43        2.69384   0.00001   0.00000   0.03218   0.03199   2.72583
   A44        2.62349   0.00000   0.00000   0.02143   0.02109   2.64458
   A45        2.65162   0.00000   0.00000  -0.00559  -0.00615   2.64547
   A46        2.34396   0.00001   0.00000  -0.00953  -0.00958   2.33438
   A47        2.21473   0.00000   0.00000   0.02067   0.02070   2.23543
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   A49        1.10073   0.00000   0.00000   0.00368   0.00369   1.10442
   A50        1.46244   0.00000   0.00000   0.00529   0.00527   1.46771
   A51        1.57043   0.00000   0.00000   0.00948   0.00943   1.57985
   A52        1.81263   0.00000   0.00000   0.01718   0.01707   1.82970
   A53        1.78289   0.00001   0.00000   0.00170   0.00170   1.78459
   A54        1.71112   0.00001   0.00000   0.00262   0.00264   1.71376
   A55        1.64820   0.00000   0.00000   0.00281   0.00287   1.65107
   A56        1.24829   0.00001   0.00000   0.00235   0.00247   1.25075
   A57        1.21728   0.00000  -0.00001   0.00523   0.00528   1.22257
   A58        1.94283   0.00001   0.00000   0.00229   0.00235   1.94517
   A59        1.98926   0.00001   0.00001   0.00014   0.00018   1.98944
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   A62        2.62419   0.00001   0.00000   0.02283   0.02234   2.64653
   A63        2.79326   0.00001   0.00000   0.02598   0.02583   2.81908
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   A65        2.41325   0.00001   0.00000   0.02136   0.02133   2.43458
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   A76        1.78070   0.00000   0.00000   0.00394   0.00408   1.78479
   A77        1.76821   0.00001   0.00001   0.00105   0.00119   1.76940
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   A79        1.96474   0.00001   0.00000   0.02105   0.02095   1.98569
   A80        2.23057   0.00001   0.00000   0.01016   0.00998   2.24054
   A81        2.07953   0.00002   0.00000  -0.00171  -0.00173   2.07780
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   A85        1.38856  -0.00001   0.00000   0.00450   0.00441   1.39297
   A86        1.22662   0.00000   0.00000   0.00668   0.00657   1.23319
   A87        1.34172   0.00000   0.00000   0.01635   0.01620   1.35792
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   A91        1.93865   0.00000   0.00000   0.00592   0.00596   1.94461
   A92        1.86610  -0.00001  -0.00001   0.01062   0.01063   1.87672
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   A96        2.01830   0.00002   0.00000   0.02404   0.02400   2.04230
   A97        2.38665   0.00002   0.00001   0.01761   0.01746   2.40411
   A98        2.33041   0.00002   0.00001   0.00312   0.00301   2.33342
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   A230       0.75733   0.00000   0.00001  -0.00244  -0.00246   0.75487
   A231       0.77609   0.00001   0.00001  -0.00509  -0.00511   0.77099
   A232       1.59116  -0.00002   0.00000   0.00408   0.00401   1.59518
   A233       1.85851   0.00003   0.00001  -0.00264  -0.00259   1.85591
   A234       2.19039   0.00000   0.00000   0.00017   0.00019   2.19058
   A235       2.12934   0.00000   0.00000  -0.00033  -0.00031   2.12903
   A236       1.96308   0.00000   0.00000   0.00018   0.00014   1.96323
   A237       2.12314   0.00002   0.00000  -0.00115  -0.00127   2.12187
   A238       2.12602   0.00002   0.00000  -0.00013  -0.00015   2.12587
   A239       2.03293  -0.00004   0.00000   0.00092   0.00103   2.03396
   A240       1.82577   0.00002   0.00000  -0.00125  -0.00124   1.82453
   A241       2.54831  -0.00003   0.00000  -0.00040  -0.00046   2.54785
   A242       1.91397   0.00000   0.00000  -0.00063  -0.00055   1.91342
   A243       1.91633   0.00002  -0.00001   0.00054   0.00030   1.91664
   A244       1.91711  -0.00001   0.00000  -0.00090  -0.00091   1.91620
   A245       1.90990   0.00000   0.00000  -0.00048  -0.00038   1.90952
   A246       1.90809   0.00001   0.00000   0.00119   0.00119   1.90928
   A247       1.89831  -0.00002   0.00001   0.00029   0.00037   1.89867
   A248       1.28699   0.00002   0.00000  -0.00767  -0.00772   1.27926
   A249       1.90523  -0.00001   0.00000  -0.00125  -0.00127   1.90397
   A250       1.90926  -0.00001   0.00000  -0.00021  -0.00026   1.90900
   A251       1.92806  -0.00001   0.00000   0.00003   0.00003   1.92808
   A252       1.91018   0.00004   0.00000   0.00026   0.00029   1.91047
   A253       1.89766   0.00000   0.00000   0.00111   0.00112   1.89879
   A254       1.91331  -0.00001   0.00000   0.00007   0.00009   1.91340
   A255       1.72206   0.00001   0.00000   0.00147   0.00136   1.72342
   A256       1.76191   0.00000   0.00001  -0.00619  -0.00609   1.75582
   A257       2.19154   0.00002   0.00000  -0.00026  -0.00046   2.19108
   A258       2.12960   0.00000   0.00000   0.00024   0.00024   2.12984
   A259       1.96183  -0.00001   0.00000  -0.00002   0.00018   1.96200
   A260       2.12612  -0.00003   0.00000  -0.00105  -0.00097   2.12516
   A261       2.12364   0.00000  -0.00001   0.00068   0.00024   2.12388
   A262       2.03298   0.00003   0.00001   0.00019   0.00053   2.03351
   A263       1.36807  -0.00003  -0.00001  -0.00540  -0.00538   1.36269
   A264       1.90090   0.00003   0.00000  -0.00113  -0.00105   1.89985
   A265       1.93031  -0.00003   0.00000   0.00027   0.00023   1.93054
   A266       1.90987  -0.00001   0.00000  -0.00048  -0.00039   1.90948
   A267       1.89609   0.00000   0.00000   0.00014   0.00010   1.89618
   A268       1.91513  -0.00002  -0.00001   0.00024   0.00017   1.91530
   A269       1.91144   0.00003   0.00001   0.00096   0.00095   1.91238
   A270       2.67712   0.00002   0.00001   0.00688   0.00678   2.68390
   A271       1.68556  -0.00002   0.00000  -0.00709  -0.00699   1.67857
   A272       1.92538  -0.00001   0.00000  -0.00009  -0.00017   1.92522
   A273       1.91176   0.00002   0.00000  -0.00115  -0.00118   1.91058
   A274       1.91513   0.00001   0.00000   0.00139   0.00148   1.91661
   A275       1.89293   0.00002   0.00000  -0.00059  -0.00057   1.89235
   A276       1.91102   0.00000   0.00000  -0.00006  -0.00006   1.91096
   A277       1.90739  -0.00004   0.00000   0.00048   0.00048   1.90787
   A278       1.82033  -0.00006   0.00004   0.00429   0.00438   1.82471
   A279       1.74180   0.00004  -0.00004  -0.00416  -0.00423   1.73757
   A280       2.19024  -0.00002   0.00001   0.00097   0.00100   2.19124
   A281       2.13074   0.00000   0.00001  -0.00028  -0.00027   2.13047
   A282       1.96213   0.00002  -0.00002  -0.00070  -0.00073   1.96139
   A283       2.12244   0.00002   0.00000  -0.00028  -0.00037   2.12208
   A284       2.11509   0.00002   0.00001   0.00096   0.00100   2.11609
   A285       2.04279  -0.00004  -0.00001  -0.00065  -0.00060   2.04219
   A286       2.71400  -0.00001  -0.00002   0.02624   0.02621   2.74021
   A287       1.64397   0.00001   0.00002  -0.02650  -0.02647   1.61750
   A288       1.92702   0.00002  -0.00001   0.00208   0.00188   1.92890
   A289       1.91511  -0.00001   0.00001  -0.00176  -0.00173   1.91338
   A290       1.91186  -0.00001   0.00001  -0.00107  -0.00104   1.91082
   A291       1.89094  -0.00001  -0.00001   0.00044   0.00054   1.89148
   A292       1.91265   0.00000   0.00000  -0.00002   0.00002   1.91267
   A293       1.90603   0.00001   0.00001   0.00034   0.00033   1.90636
   A294       1.35883  -0.00003   0.00000   0.01362   0.01366   1.37249
   A295       1.14947   0.00004   0.00000  -0.00657  -0.00657   1.14290
   A296       1.93370  -0.00001   0.00000  -0.00045  -0.00042   1.93328
   A297       1.90742  -0.00002   0.00000   0.00090   0.00090   1.90833
   A298       1.90171   0.00004   0.00000   0.00077   0.00068   1.90238
   A299       1.90966   0.00000   0.00000   0.00034   0.00035   1.91001
   A300       1.89804  -0.00001   0.00000  -0.00103  -0.00101   1.89703
   A301       1.91321   0.00000   0.00000  -0.00055  -0.00051   1.91270
   A302       1.64345  -0.00003   0.00000  -0.00606  -0.00603   1.63742
   A303       1.80579   0.00002  -0.00001   0.00513   0.00510   1.81089
   A304       2.18894  -0.00004   0.00000  -0.00098  -0.00089   2.18806
   A305       2.13026   0.00001   0.00000   0.00161   0.00163   2.13189
   A306       1.96360   0.00003   0.00000  -0.00059  -0.00070   1.96290
   A307       2.12503   0.00004  -0.00001  -0.00013  -0.00013   2.12489
   A308       2.12481  -0.00003   0.00000   0.00078   0.00086   2.12566
   A309       2.02978  -0.00001   0.00001  -0.00069  -0.00076   2.02902
   A310       1.30275   0.00004   0.00001  -0.00767  -0.00762   1.29512
   A311       3.04621   0.00002   0.00001   0.00850   0.00849   3.05470
   A312       1.91182   0.00001   0.00000   0.00118   0.00113   1.91296
   A313       1.92972   0.00000   0.00000   0.00025   0.00003   1.92975
   A314       1.90089   0.00002   0.00001  -0.00282  -0.00267   1.89822
   A315       1.91260  -0.00005  -0.00001  -0.00077  -0.00067   1.91193
   A316       1.91228   0.00001  -0.00001   0.00214   0.00206   1.91433
   A317       1.89636   0.00001   0.00001   0.00002   0.00014   1.89649
   A318       1.77504  -0.00004  -0.00001  -0.00613  -0.00615   1.76889
   A319       1.91657  -0.00002   0.00000   0.00014   0.00012   1.91669
   A320       1.91312   0.00000   0.00001  -0.00194  -0.00193   1.91118
   A321       1.92112   0.00000   0.00000   0.00096   0.00095   1.92208
   A322       1.90812  -0.00003  -0.00001  -0.00040  -0.00038   1.90774
   A323       1.90954   0.00004   0.00000   0.00063   0.00064   1.91018
   A324       1.89517   0.00002   0.00000   0.00061   0.00060   1.89577
   A325       2.93271   0.00000   0.00000  -0.00264  -0.00293   2.92979
   A326       3.37294   0.00000   0.00000   0.01771   0.01771   3.39065
   A327       3.08953   0.00000  -0.00001   0.01593   0.01597   3.10550
   A328       3.20030   0.00001   0.00000  -0.00760  -0.00764   3.19266
   A329       3.27951   0.00000   0.00000  -0.00444  -0.00443   3.27508
   A330       3.26850  -0.00002   0.00000   0.01396   0.01400   3.28250
   A331       3.68458   0.00000  -0.00001  -0.00550  -0.00551   3.67907
   A332       3.24018   0.00001   0.00001   0.02459   0.02443   3.26461
   A333       2.95479   0.00000   0.00001  -0.02222  -0.02238   2.93241
   A334       2.89381   0.00001   0.00001  -0.01681  -0.01693   2.87688
   A335       3.22936  -0.00001   0.00000  -0.00849  -0.00850   3.22085
   A336       3.07488   0.00002   0.00000   0.00276   0.00273   3.07761
   A337       3.10295   0.00003   0.00000  -0.00127  -0.00127   3.10168
   A338       3.05003   0.00000   0.00000   0.00520   0.00520   3.05523
    D1        2.75844   0.00000   0.00000   0.00169   0.00173   2.76017
    D2       -1.36100   0.00000   0.00000   0.00226   0.00230  -1.35870
    D3        2.77943   0.00000   0.00000   0.00125   0.00124   2.78067
    D4       -1.34001   0.00000   0.00000   0.00182   0.00181  -1.33820
    D5        1.66107   0.00001   0.00000  -0.00170  -0.00167   1.65939
    D6       -2.45837   0.00001   0.00000  -0.00113  -0.00111  -2.45948
    D7        1.84083   0.00002   0.00000   0.00001   0.00005   1.84088
    D8       -2.27861   0.00002   0.00000   0.00058   0.00062  -2.27799
    D9        0.28017  -0.00002   0.00000  -0.03730  -0.03784   0.24233
   D10        2.44392  -0.00002   0.00000  -0.03673  -0.03728   2.40664
   D11        0.00632  -0.00001   0.00000  -0.02515  -0.02518  -0.01887
   D12        2.17006  -0.00001   0.00000  -0.02458  -0.02462   2.14545
   D13       -0.46075   0.00000   0.00000  -0.02334  -0.02318  -0.48394
   D14        1.70299   0.00000   0.00000  -0.02278  -0.02261   1.68038
   D15       -0.57320   0.00000  -0.00001  -0.01194  -0.01183  -0.58504
   D16        1.59054   0.00000   0.00000  -0.01137  -0.01126   1.57928
   D17        0.19946   0.00000   0.00000  -0.01210  -0.01215   0.18732
   D18        2.36321   0.00000   0.00000  -0.01153  -0.01158   2.35163
   D19        0.13849   0.00001   0.00000  -0.00669  -0.00671   0.13179
   D20        2.30224   0.00001   0.00000  -0.00612  -0.00614   2.29610
   D21        2.39294   0.00000   0.00000  -0.00634  -0.00631   2.38663
   D22       -1.72649   0.00000   0.00000  -0.00577  -0.00575  -1.73224
   D23        2.15448   0.00000   0.00000  -0.00439  -0.00436   2.15012
   D24       -1.96496   0.00000   0.00000  -0.00382  -0.00380  -1.96875
   D25        1.70726   0.00000   0.00000  -0.00786  -0.00784   1.69941
   D26       -2.41218   0.00000   0.00000  -0.00729  -0.00728  -2.41946
   D27        1.39920   0.00000   0.00000  -0.00894  -0.00896   1.39024
   D28       -2.72024   0.00000   0.00000  -0.00837  -0.00840  -2.72863
   D29        2.37497  -0.00001   0.00000  -0.00002  -0.00004   2.37493
   D30       -1.74447  -0.00001   0.00000   0.00055   0.00053  -1.74394
   D31       -1.74123  -0.00001   0.00000   0.01055   0.01060  -1.73063
   D32        0.42252  -0.00001   0.00000   0.01112   0.01117   0.43368
   D33       -2.09146   0.00000   0.00000   0.01045   0.01049  -2.08097
   D34        0.07228   0.00000   0.00000   0.01102   0.01106   0.08334
   D35       -2.46732   0.00000   0.00000   0.00882   0.00891  -2.45841
   D36       -0.30357   0.00000   0.00000   0.00939   0.00948  -0.29409
   D37       -2.75532   0.00000   0.00000   0.01012   0.01023  -2.74509
   D38       -0.59157   0.00000   0.00000   0.01069   0.01080  -0.58078
   D39       -2.11611   0.00000   0.00000   0.01239   0.01238  -2.10373
   D40        0.04763   0.00000   0.00000   0.01296   0.01295   0.06058
   D41       -2.35972   0.00001   0.00000   0.01214   0.01209  -2.34763
   D42       -0.19597   0.00001   0.00000   0.01271   0.01266  -0.18331
   D43        1.26634   0.00000   0.00000   0.00192   0.00192   1.26826
   D44       -1.93466   0.00000   0.00000  -0.01150  -0.01150  -1.94616
   D45        2.45885   0.00001   0.00000  -0.00201  -0.00193   2.45692
   D46       -0.74216   0.00001   0.00000  -0.01543  -0.01535  -0.75751
   D47        2.94332   0.00001   0.00000  -0.00211  -0.00206   2.94126
   D48       -0.25768   0.00001   0.00000  -0.01553  -0.01548  -0.27317
   D49        2.88096   0.00001   0.00000   0.01601   0.01657   2.89752
   D50       -0.32005   0.00001   0.00001   0.00258   0.00315  -0.31690
   D51        2.02198  -0.00002   0.00000  -0.02844  -0.02970   1.99229
   D52       -1.17902  -0.00002   0.00000  -0.04186  -0.04312  -1.22214
   D53        1.11419   0.00000  -0.00001  -0.04623  -0.04556   1.06862
   D54       -2.08682   0.00000  -0.00001  -0.05965  -0.05898  -2.14580
   D55        1.00079  -0.00001  -0.00001  -0.01512  -0.01488   0.98591
   D56       -2.20022   0.00000  -0.00001  -0.02854  -0.02830  -2.22852
   D57        2.02044   0.00000   0.00000  -0.00447  -0.00462   2.01582
   D58       -1.18056   0.00000   0.00000  -0.01789  -0.01804  -1.19860
   D59        1.82862   0.00001   0.00000  -0.00130  -0.00135   1.82727
   D60       -1.37238   0.00001   0.00000  -0.01472  -0.01478  -1.38716
   D61       -2.28179   0.00000   0.00000  -0.00599  -0.00599  -2.28778
   D62        0.80039   0.00000   0.00000  -0.01941  -0.01941   0.78098
   D63       -2.40871   0.00000   0.00000  -0.00107  -0.00109  -2.40980
   D64        0.67347   0.00000   0.00000  -0.01449  -0.01451   0.65896
   D65       -2.81124   0.00000   0.00000  -0.00136  -0.00141  -2.81265
   D66        0.27094   0.00001   0.00000  -0.01478  -0.01484   0.25611
   D67       -2.98189   0.00001   0.00000   0.00558   0.00552  -2.97636
   D68        0.10030   0.00001   0.00000  -0.00784  -0.00790   0.09240
   D69       -2.12649   0.00000   0.00000   0.00203   0.00197  -2.12452
   D70        0.95569   0.00000   0.00000  -0.01139  -0.01145   0.94424
   D71       -0.14382  -0.00002   0.00000   0.01122   0.01123  -0.13259
   D72        2.93836  -0.00002   0.00000  -0.00220  -0.00219   2.93617
   D73       -0.54291   0.00000   0.00000   0.00993   0.00992  -0.53299
   D74        2.53927   0.00000   0.00000  -0.00349  -0.00350   2.53577
   D75       -0.71122   0.00000   0.00000   0.00942   0.00939  -0.70183
   D76        2.37096   0.00000   0.00000  -0.00401  -0.00403   2.36693
   D77       -1.04948   0.00000   0.00000   0.00873   0.00877  -1.04071
   D78        2.03270   0.00000   0.00000  -0.00469  -0.00465   2.02805
   D79       -0.82739  -0.00001   0.00000   0.01001   0.01001  -0.81738
   D80        2.25479  -0.00001   0.00000  -0.00341  -0.00342   2.25138
   D81       -1.13138   0.00000  -0.00001   0.00903   0.00903  -1.12235
   D82        1.95080   0.00000   0.00000  -0.00439  -0.00439   1.94641
   D83       -1.53174   0.00001   0.00000  -0.00501  -0.00505  -1.53679
   D84       -2.60907   0.00001   0.00000  -0.00719  -0.00710  -2.61617
   D85       -2.94828   0.00001   0.00000  -0.00613  -0.00601  -2.95430
   D86        0.73170   0.00000   0.00000  -0.00964  -0.00992   0.72178
   D87        0.30361  -0.00001   0.00000  -0.01365  -0.01382   0.28979
   D88       -0.08674   0.00000   0.00000  -0.02753  -0.02771  -0.11446
   D89       -0.41896   0.00000  -0.00001  -0.02097  -0.02087  -0.43983
   D90        0.18615   0.00000   0.00000  -0.00349  -0.00351   0.18263
   D91       -0.04906   0.00001   0.00000  -0.00042  -0.00042  -0.04948
   D92        2.39660   0.00000   0.00000  -0.01141  -0.01140   2.38520
   D93        2.05292   0.00000   0.00000  -0.00928  -0.00927   2.04364
   D94        1.65536   0.00000   0.00000  -0.01132  -0.01134   1.64403
   D95        1.37155   0.00000   0.00000  -0.00861  -0.00866   1.36289
   D96        2.06352  -0.00001   0.00000  -0.00607  -0.00609   2.05743
   D97       -1.87745  -0.00003   0.00000   0.01176   0.01174  -1.86571
   D98       -2.41626  -0.00001   0.00000   0.01019   0.01024  -2.40603
   D99       -2.63802   0.00000   0.00000   0.00434   0.00436  -2.63366
   D100      -2.96837   0.00000   0.00000   0.00138   0.00146  -2.96691
   D101      -2.88236  -0.00003  -0.00001   0.01251   0.01266  -2.86970
   D102       2.86211  -0.00001  -0.00001   0.00489   0.00496   2.86707
   D103      -2.86063   0.00002   0.00000   0.04069   0.04116  -2.81947
   D104       1.23826   0.00001   0.00000   0.04192   0.04240   1.28066
   D105       2.83631   0.00002   0.00000   0.02739   0.02799   2.86429
   D106       0.65201   0.00001   0.00000   0.02862   0.02922   0.68123
   D107       2.31073   0.00000   0.00000  -0.00099  -0.00169   2.30904
   D108       0.12643   0.00000   0.00000   0.00024  -0.00046   0.12598
   D109       1.72318  -0.00002   0.00000  -0.02916  -0.03058   1.69260
   D110      -0.46112  -0.00002   0.00000  -0.02793  -0.02934  -0.49046
   D111       2.60615   0.00000   0.00000   0.01694   0.01698   2.62314
   D112       0.42186  -0.00001   0.00000   0.01817   0.01822   0.44007
   D113       2.26513   0.00000   0.00000   0.01165   0.01149   2.27661
   D114       0.08083  -0.00001   0.00000   0.01288   0.01272   0.09355
   D115      -1.61302  -0.00001   0.00000   0.00135   0.00164  -1.61138
   D116       2.48587  -0.00001   0.00000   0.00259   0.00287   2.48875
   D117      -1.77000   0.00001   0.00000   0.00007   0.00028  -1.76972
   D118       2.32889   0.00000   0.00000   0.00130   0.00151   2.33040
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   D346      -1.58772  -0.00001   0.00000  -0.01458  -0.01457  -1.60228
   D347       0.58303   0.00000   0.00000  -0.01363  -0.01363   0.56940
   D348      -1.28759  -0.00001   0.00000  -0.01473  -0.01472  -1.30231
   D349       0.88316   0.00000   0.00000  -0.01379  -0.01378   0.86938
   D350       1.86522   0.00000   0.00000   0.00251   0.00252   1.86774
   D351      -2.24722   0.00001   0.00000   0.00346   0.00346  -2.24376
   D352       2.31100   0.00000   0.00000   0.00979   0.00989   2.32089
   D353      -1.80144   0.00001   0.00000   0.01073   0.01083  -1.79060
   D354       2.60003   0.00000   0.00000   0.03090   0.03139   2.63142
   D355      -1.51241   0.00001   0.00000   0.03185   0.03233  -1.48008
   D356      -3.04709  -0.00003   0.00000   0.03460   0.03373  -3.01336
   D357      -0.87634  -0.00002   0.00000   0.03555   0.03467  -0.84167
   D358       2.62047   0.00000   0.00000   0.00421   0.00426   2.62473
   D359      -1.49197   0.00001   0.00000   0.00515   0.00520  -1.48677
   D360       1.63893  -0.00002   0.00000   0.00133   0.00145   1.64039
   D361      -2.47351  -0.00001   0.00000   0.00227   0.00239  -2.47111
   D362       1.81359  -0.00001  -0.00001   0.00454   0.00455   1.81814
   D363      -2.29885   0.00000  -0.00001   0.00548   0.00549  -2.29336
   D364       2.74929   0.00000   0.00000  -0.00058  -0.00054   2.74875
   D365      -1.36314   0.00001   0.00000   0.00036   0.00040  -1.36274
   D366       2.74530   0.00001   0.00000  -0.00250  -0.00248   2.74282
   D367      -1.36714   0.00002   0.00000  -0.00156  -0.00154  -1.36868
   D368       0.05911   0.00000   0.00000  -0.01055  -0.01046   0.04865
   D369      -2.40477   0.00000   0.00000   0.02068   0.02077  -2.38400
   D370       0.45903  -0.00001   0.00000  -0.01014  -0.01010   0.44893
   D371      -2.00485   0.00000   0.00000   0.02109   0.02113  -1.98371
   D372       0.67655   0.00000   0.00000  -0.00577  -0.00577   0.67077
   D373      -1.78733   0.00000   0.00000   0.02546   0.02546  -1.76188
   D374       0.94975   0.00000   0.00000  -0.00455  -0.00466   0.94509
   D375      -1.51412   0.00000   0.00000   0.02668   0.02657  -1.48756
   D376       0.69599   0.00001   0.00000  -0.01344  -0.01343   0.68256
   D377      -1.76789   0.00001   0.00000   0.01778   0.01780  -1.75009
   D378       1.03820   0.00000   0.00000  -0.01217  -0.01217   1.02604
   D379      -1.42567   0.00000   0.00000   0.01906   0.01906  -1.40661
   D380      -2.71733   0.00001   0.00000   0.01487   0.01417  -2.70316
   D381       1.10198   0.00001   0.00000   0.04610   0.04540   1.14738
   D382      -2.18348   0.00001   0.00000  -0.00010  -0.00041  -2.18388
   D383       1.63583   0.00001   0.00000   0.03112   0.03082   1.66666
   D384      -1.94713   0.00000   0.00000   0.00171   0.00153  -1.94559
   D385       1.87218   0.00000   0.00000   0.03293   0.03277   1.90494
   D386      -1.62138  -0.00001   0.00000   0.00098   0.00084  -1.62054
   D387       2.19792  -0.00001   0.00000   0.03221   0.03207   2.23000
   D388      -1.70738  -0.00001   0.00000  -0.03130  -0.03057  -1.73795
   D389       2.11193  -0.00001   0.00000  -0.00007   0.00066   2.11259
   D390      -1.14692  -0.00001   0.00001  -0.03989  -0.03958  -1.18649
   D391       2.67239   0.00000   0.00001  -0.00867  -0.00835   2.66405
   D392       1.79838   0.00000   0.00000  -0.00647  -0.00650   1.79188
   D393      -0.66550   0.00000   0.00000   0.02476   0.02473  -0.64077
   D394       2.10396   0.00000   0.00000  -0.00399  -0.00399   2.09996
   D395      -0.35992   0.00000   0.00000   0.02723   0.02724  -0.33268
   D396       2.06366   0.00001   0.00000   0.00113   0.00120   2.06486
   D397      -0.40022   0.00001   0.00000   0.03236   0.03243  -0.36779
   D398       2.28628   0.00001   0.00000   0.01783   0.01794   2.30422
   D399      -0.17760   0.00001   0.00000   0.04906   0.04917  -0.12843
   D400       2.49836   0.00000   0.00000  -0.00681  -0.00682   2.49153
   D401       0.03448   0.00001   0.00000   0.02441   0.02441   0.05889
   D402      -1.53556  -0.00002   0.00000  -0.00494  -0.00486  -1.54042
   D403       2.28375  -0.00002   0.00000   0.02628   0.02637   2.31012
   D404      -2.63268  -0.00001   0.00000  -0.00478  -0.00478  -2.63746
   D405       1.18662  -0.00001   0.00000   0.02644   0.02645   1.21308
   D406      -2.98580   0.00000   0.00000  -0.00711  -0.00712  -2.99292
   D407       0.83351   0.00000   0.00000   0.02411   0.02411   0.85762
   D408       1.91805   0.00000   0.00000  -0.00184  -0.00168   1.91637
   D409       2.41315   0.00000   0.00000  -0.00280  -0.00272   2.41043
   D410       2.64925   0.00000   0.00000   0.00368   0.00371   2.65296
   D411       2.88510   0.00000   0.00000   0.00583   0.00581   2.89091
   D412       2.83487   0.00002   0.00000  -0.00859  -0.00869   2.82619
   D413      -2.94124  -0.00001   0.00000   0.00054   0.00053  -2.94071
   D414      -0.72695   0.00000   0.00000   0.01753   0.01741  -0.70953
   D415      -0.34803   0.00001   0.00000   0.01627   0.01616  -0.33186
   D416      -0.03174   0.00000   0.00000   0.02157   0.02161  -0.01013
   D417       0.27551  -0.00001   0.00000   0.02017   0.02015   0.29566
   D418      -0.22259  -0.00001  -0.00001   0.00862   0.00848  -0.21410
   D419       0.08173  -0.00002  -0.00001   0.00202   0.00201   0.08374
   D420      -2.54188  -0.00001   0.00000   0.01258   0.01263  -2.52926
   D421      -2.16034  -0.00001   0.00000   0.01271   0.01275  -2.14759
   D422      -1.90552   0.00000   0.00000   0.01880   0.01888  -1.88664
   D423      -1.58719   0.00000   0.00000   0.02314   0.02304  -1.56414
   D424      -1.95657   0.00000   0.00000   0.00724   0.00728  -1.94929
   D425       1.31202   0.00001   0.00000   0.00186   0.00192   1.31394
   D426       2.47855  -0.00001   0.00000   0.00439   0.00443   2.48298
   D427       2.95480  -0.00001  -0.00001   0.00688   0.00688   2.96167
   D428      -3.06651   0.00002  -0.00001   0.00894   0.00889  -3.05762
   D429       0.02322   0.00004   0.00000   0.00019   0.00017   0.02339
   D430       0.04614   0.00002   0.00001   0.00976   0.00975   0.05588
   D431       3.13587   0.00004   0.00001   0.00101   0.00103   3.13689
   D432      -0.08794   0.00000   0.00001  -0.00787  -0.00780  -0.09575
   D433       2.01115   0.00001   0.00000  -0.00852  -0.00843   2.00272
   D434      -2.18528   0.00000   0.00001  -0.00838  -0.00836  -2.19364
   D435       3.10288  -0.00002   0.00001   0.00046   0.00051   3.10339
   D436      -1.08121  -0.00001   0.00000  -0.00019  -0.00012  -1.08133
   D437       1.00555  -0.00002   0.00000  -0.00005  -0.00004   1.00550
   D438      -2.36290  -0.00002   0.00000  -0.01356  -0.01354  -2.37644
   D439      -0.27318   0.00001   0.00000  -0.01413  -0.01410  -0.28728
   D440       1.83449  -0.00001   0.00000  -0.01416  -0.01414   1.82035
   D441       0.72937   0.00000   0.00000  -0.02194  -0.02190   0.70746
   D442       2.81909   0.00003   0.00000  -0.02251  -0.02247   2.79662
   D443      -1.35642   0.00001   0.00000  -0.02254  -0.02251  -1.37893
   D444       0.00069   0.00001   0.00000   0.00544   0.00549   0.00618
   D445       3.10930   0.00000   0.00000  -0.00145  -0.00135   3.10795
   D446      -3.11854   0.00000   0.00000   0.00728   0.00733  -3.11121
   D447      -0.00992   0.00000  -0.00001   0.00039   0.00048  -0.00944
   D448       2.40621   0.00001   0.00000   0.00249   0.00256   2.40877
   D449      -1.79446   0.00001   0.00000   0.00212   0.00216  -1.79230
   D450       0.31271   0.00002   0.00001   0.00317   0.00323   0.31594
   D451      -0.70402   0.00001   0.00000   0.00903   0.00907  -0.69496
   D452       1.37849   0.00001   0.00001   0.00866   0.00867   1.38716
   D453      -2.79753   0.00003   0.00001   0.00971   0.00973  -2.78779
   D454       2.05635  -0.00002  -0.00001  -0.00174  -0.00182   2.05453
   D455      -2.14443   0.00001   0.00000  -0.00324  -0.00337  -2.14780
   D456      -0.05056  -0.00003  -0.00001  -0.00250  -0.00259  -0.05315
   D457      -1.11655  -0.00003  -0.00001  -0.00830  -0.00835  -1.12490
   D458       0.96585   0.00000  -0.00001  -0.00980  -0.00989   0.95596
   D459       3.05973  -0.00003  -0.00001  -0.00906  -0.00912   3.05061
   D460      -3.07979  -0.00004   0.00003  -0.00286  -0.00286  -3.08265
   D461      -0.02181  -0.00004   0.00003  -0.00243  -0.00241  -0.02422
   D462       0.07537  -0.00003   0.00004  -0.00258  -0.00257   0.07280
   D463       3.13335  -0.00002   0.00004  -0.00215  -0.00212   3.13123
   D464       1.91961   0.00001   0.00002  -0.02454  -0.02453   1.89508
   D465      -2.28052   0.00001   0.00001  -0.02381  -0.02379  -2.30431
   D466      -0.18826   0.00001   0.00002  -0.02514  -0.02508  -0.21334
   D467      -1.14168   0.00001   0.00002  -0.02503  -0.02504  -1.16672
   D468       0.94138   0.00000   0.00001  -0.02430  -0.02430   0.91709
   D469       3.03364   0.00001   0.00002  -0.02562  -0.02559   3.00805
   D470      -1.63884   0.00002   0.00000  -0.00981  -0.00981  -1.64865
   D471       0.46668   0.00000   0.00001  -0.00909  -0.00906   0.45762
   D472       2.55686   0.00001   0.00000  -0.00876  -0.00873   2.54813
   D473       1.42281   0.00002   0.00000  -0.00939  -0.00937   1.41344
   D474      -2.75486   0.00000   0.00001  -0.00867  -0.00862  -2.76348
   D475      -0.66468   0.00001   0.00000  -0.00834  -0.00829  -0.67297
   D476       0.00314   0.00002   0.00000   0.00107   0.00111   0.00425
   D477      -3.04441   0.00002   0.00001   0.00157   0.00159  -3.04282
   D478       3.11555   0.00003   0.00000   0.00273   0.00276   3.11831
   D479       0.06800   0.00003   0.00000   0.00323   0.00324   0.07125
   D480      -0.30164   0.00003   0.00000  -0.00378  -0.00373  -0.30536
   D481       1.80787  -0.00003  -0.00001  -0.00381  -0.00381   1.80405
   D482      -2.39283  -0.00001   0.00000  -0.00539  -0.00529  -2.39812
   D483       2.75075   0.00003   0.00000  -0.00418  -0.00410   2.74666
   D484      -1.42293  -0.00003  -0.00001  -0.00421  -0.00419  -1.42711
   D485       0.65956  -0.00001   0.00000  -0.00579  -0.00566   0.65390
   D486      -0.08214   0.00004   0.00001   0.00755   0.00757  -0.07457
   D487       2.01437  -0.00002   0.00000   0.00595   0.00597   2.02034
   D488      -2.18543   0.00000   0.00000   0.00608   0.00610  -2.17934
   D489      -3.13455   0.00003   0.00001   0.00801   0.00800  -3.12655
   D490      -1.03804  -0.00002   0.00000   0.00640   0.00640  -1.03164
   D491       1.04535   0.00000   0.00000   0.00653   0.00652   1.05187
         Item               Value     Threshold  Converged?
 Maximum Force            0.000124     0.000450     YES
 RMS     Force            0.000016     0.000300     YES
 Maximum Displacement     0.124694     0.001800     NO 
 RMS     Displacement     0.017327     0.001200     NO 
 Predicted change in Energy=-1.493046D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 04:58:11 2016, MaxMem=  2952790016 cpu:        10.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.778752   -0.587007    1.650075
      2          6           0       -2.067081    1.141278   -1.357020
      3          8           0       -2.610511    0.164460   -1.901405
      4          7           0       -0.771160    1.197148   -0.945651
      5          1           0       -2.624532    2.071914   -1.129529
      6          6           0       -0.246517    2.355429   -0.219495
      7          1           0       -1.013577    3.140896   -0.173766
      8          1           0        0.034854    2.058912    0.802762
      9          1           0        0.646335    2.745434   -0.734308
     10          6           0        0.149939    0.073577   -1.139493
     11          1           0        0.732939   -0.077376   -0.217510
     12          1           0       -0.425295   -0.834960   -1.361468
     13          1           0        0.845172    0.283633   -1.968914
     14          6           0       -2.072804   -3.947071    2.706910
     15          8           0       -2.226178   -3.749476    3.924509
     16          7           0       -2.981030   -3.653875    1.737809
     17          1           0       -1.136882   -4.373354    2.293912
     18          6           0       -4.276906   -3.045031    2.053302
     19          1           0       -4.495387   -2.265337    1.305944
     20          1           0       -5.079441   -3.800689    2.019359
     21          1           0       -4.235448   -2.597756    3.053999
     22          6           0       -2.695317   -3.884722    0.321264
     23          1           0       -3.401256   -4.621308   -0.096320
     24          1           0       -2.808231   -2.939380   -0.235261
     25          1           0       -1.667190   -4.254889    0.204117
     26          6           0        1.618283    0.354770    2.577871
     27          8           0        1.480804    1.378714    3.268104
     28          7           0        1.219536   -0.897712    2.931835
     29          1           0        2.082920    0.381159    1.572449
     30          6           0        1.490381   -2.058092    2.080670
     31          1           0        2.262889   -2.700026    2.536512
     32          1           0        0.569506   -2.653351    1.961737
     33          1           0        1.830685   -1.716797    1.093200
     34          6           0        0.591611   -1.156811    4.229829
     35          1           0        1.342705   -1.481905    4.969895
     36          1           0        0.100843   -0.241592    4.585377
     37          1           0       -0.155971   -1.954347    4.112915
     38          6           0       -4.605858    1.014363    2.859491
     39          8           0       -4.843954    1.586519    1.782476
     40          7           0       -3.555798    1.288746    3.682819
     41          1           0       -5.236342    0.185350    3.238995
     42          6           0       -2.575245    2.329613    3.361386
     43          1           0       -2.641484    2.581292    2.295120
     44          1           0       -2.757681    3.233486    3.965741
     45          1           0       -1.567686    1.949871    3.590860
     46          6           0       -3.279804    0.485192    4.874063
     47          1           0       -4.068558   -0.267808    5.006317
     48          1           0       -2.306446   -0.022303    4.758827
     49          1           0       -3.236312    1.131348    5.765585
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.480334   0.000000
     3  O    3.724183   1.243320   0.000000
     4  N    3.307000   1.360793   2.315842   0.000000
     5  H    3.938453   1.108417   2.057759   2.057673   0.000000
     6  C    3.808013   2.466289   3.635607   1.464298   2.561933
     7  H    4.220089   2.551163   3.793957   2.105405   2.156706
     8  H    3.317830   3.150372   4.230772   2.109323   3.287287
     9  H    4.761459   3.213053   4.316317   2.109774   3.362796
    10  C    3.455129   2.470321   2.865111   1.465746   3.419231
    11  H    3.171150   3.259404   3.751353   2.101646   4.089479
    12  H    3.310999   2.569240   2.462832   2.102852   3.652445
    13  H    4.554128   3.096964   3.458397   2.119930   3.992664
    14  C    3.534599   6.512055   6.199225   6.441931   7.158970
    15  O    3.921027   7.199954   7.029075   7.092576   7.719493
    16  N    3.295277   5.779859   5.287802   5.967991   6.413531
    17  H    3.893962   6.678753   6.353269   6.454379   7.448123
    18  C    3.527781   5.834278   5.358862   6.267380   6.248510
    19  H    3.211747   4.959141   4.443395   5.561327   5.314450
    20  H    4.621543   6.700544   6.098394   7.234013   7.101376
    21  H    3.471234   6.175701   5.901380   6.511512   6.473235
    22  C    3.671614   5.335915   4.619884   5.579682   6.131176
    23  H    4.685936   6.047875   5.175634   6.441521   6.816894
    24  H    3.185589   4.296442   3.528307   4.665316   5.093773
    25  H    3.944185   5.631667   4.985351   5.643540   6.536325
    26  C    3.645216   5.448291   6.163022   4.339844   5.890237
    27  O    4.136035   5.834007   6.703514   4.781218   6.055864
    28  N    3.275542   5.775259   6.257610   4.835929   6.331684
    29  H    3.981945   5.136349   5.843194   3.892613   5.685020
    30  C    3.610641   5.891453   6.133023   4.986960   6.655436
    31  H    4.646018   6.975949   7.186823   6.043086   7.752301
    32  H    3.143442   5.689020   5.742511   5.007657   6.487368
    33  H    3.822901   5.418925   5.677236   4.406539   6.256502
    34  C    3.549426   6.600208   7.042115   5.846697   7.034981
    35  H    4.643871   7.650986   8.096493   6.829307   8.097628
    36  H    3.502597   6.474898   7.042348   5.781231   6.740930
    37  H    3.250941   6.569279   6.832727   5.991617   7.056047
    38  C    3.466929   4.923460   5.231622   5.405314   4.577810
    39  O    3.759948   4.214938   4.536684   4.917514   3.693402
    40  N    3.287612   5.257186   5.774180   5.402346   4.963800
    41  H    3.882799   5.664042   5.772273   6.202649   5.428138
    42  C    3.474141   4.892211   5.690879   4.804973   4.498573
    43  H    3.346418   3.967582   4.842815   3.989557   3.462365
    44  H    4.573487   5.760734   6.622989   5.675800   5.227692
    45  H    3.201085   5.038327   5.868574   4.667010   4.838791
    46  C    3.714413   6.381813   6.815995   6.377244   6.244212
    47  H    4.075470   6.817880   7.073145   6.960233   6.723698
    48  H    3.203387   6.230153   6.669785   6.032017   6.257768
    49  H    4.691977   7.217944   7.753015   7.149965   6.985810
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098832   0.000000
     8  H    1.100955   1.795413   0.000000
     9  H    1.101962   1.796081   1.791035   0.000000
    10  C    2.492072   3.419773   2.779776   2.747618   0.000000
    11  H    2.622571   3.661900   2.468199   2.871034   1.101239
    12  H    3.393323   4.190959   3.642818   3.789583   1.098001
    13  H    2.923113   3.852461   3.389752   2.761205   1.102457
    14  C    7.184752   7.723958   6.643781   8.001582   5.991745
    15  O    7.639482   8.108236   6.971007   8.493513   6.775381
    16  N    6.886242   7.327613   6.527313   7.760174   5.654709
    17  H    7.237850   7.910031   6.706007   7.938962   5.763625
    18  C    7.111582   7.339948   6.797452   8.095588   6.286224
    19  H    6.459980   6.598477   6.282946   7.463763   5.747150
    20  H    8.140479   8.338264   7.872169   9.122440   7.234273
    21  H    7.152718   7.330146   6.707317   8.169012   6.629707
    22  C    6.725215   7.241037   6.558388   7.499322   5.088951
    23  H    7.657833   8.121504   7.565748   8.429644   5.978390
    24  H    5.881975   6.339899   5.843248   6.670846   4.318138
    25  H    6.774515   7.434221   6.566537   7.432197   4.882915
    26  C    3.912208   4.718124   2.926151   4.198868   4.006732
    27  O    4.012599   4.601488   2.937916   4.310866   4.785551
    28  N    4.760579   5.562545   3.831194   5.200161   4.320087
    29  H    3.540491   4.500412   2.757145   3.602041   3.344495
    30  C    5.271312   6.195301   4.549871   5.631196   4.087816
    31  H    6.280949   7.224764   5.533310   6.554735   5.066601
    32  H    5.523725   6.374938   4.882059   6.035018   4.150879
    33  H    4.756149   5.769941   4.191103   4.965277   3.318925
    34  C    5.730163   6.359132   4.732403   6.314520   5.526169
    35  H    6.646843   7.306135   5.622531   7.133951   6.416139
    36  H    5.472839   5.944123   4.427736   6.125270   5.733749
    37  H    6.111639   6.713615   5.205744   6.799059   5.638603
    38  C    5.502950   5.160161   5.182415   6.595265   6.284469
    39  O    5.073021   4.573266   4.998576   6.149842   5.980457
    40  N    5.226587   4.976605   4.666976   6.268243   6.201921
    41  H    6.447383   6.181742   6.101719   7.546327   6.942311
    42  C    4.271574   3.948960   3.665031   5.227446   5.724879
    43  H    3.479966   3.009756   3.108504   4.473715   5.086968
    44  H    4.959146   4.492882   4.379761   5.823743   6.671034
    45  H    4.053242   3.987228   3.217688   4.923605   5.370936
    46  C    6.216345   6.137518   5.480788   7.209513   6.935086
    47  H    6.985590   6.912700   6.318345   8.016521   7.462120
    48  H    5.889024   6.000651   5.046146   6.823035   6.390086
    49  H    6.801355   6.652423   6.015855   7.741372   7.763098
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795571   0.000000
    13  H    1.791742   1.798424   0.000000
    14  C    5.603477   5.380634   6.948149   0.000000
    15  O    6.276704   6.299138   7.773776   1.243026   0.000000
    16  N    5.514362   4.907503   6.624469   1.360146   2.315297
    17  H    5.315909   5.136963   6.617231   1.108257   2.057823
    18  C    6.249968   5.601783   7.313953   2.469605   2.864113
    19  H    5.868856   5.072151   6.763395   3.264942   3.769464
    20  H    7.256059   6.471987   8.227336   3.087721   3.431229
    21  H    6.460646   6.092706   7.703555   2.572577   2.474149
    22  C    5.151611   4.157600   5.929179   2.466316   3.636173
    23  H    6.144393   4.979295   6.752570   3.174505   4.278781
    24  H    4.553159   3.372730   5.171143   3.195727   4.277702
    25  H    4.836320   3.960969   5.624252   2.554065   3.795949
    26  C    2.963906   4.594568   4.612593   5.669798   5.782573
    27  O    3.850845   5.474167   5.387912   6.427056   6.361676
    28  N    3.290608   4.598027   5.055004   4.493182   4.581583
    29  H    2.288374   4.046968   3.752703   6.106604   6.415813
    30  C    3.127072   4.124824   4.722192   4.081262   4.480327
    31  H    4.099229   5.089112   5.586682   4.514686   4.814520
    32  H    3.378087   3.916614   4.914457   3.034929   3.587453
    33  H    2.368693   3.448547   3.788073   4.776548   5.348480
    34  C    4.578644   5.692125   6.368955   4.147763   3.841232
    35  H    5.408668   6.605340   7.177168   4.781615   4.355644
    36  H    4.847085   5.999489   6.617296   4.688704   4.261106
    37  H    4.802683   5.594142   6.557399   3.101942   2.746587
    38  C    6.258001   6.222024   7.318551   5.572744   5.430590
    39  O    6.153879   5.939065   6.938054   6.257354   6.317745
    40  N    5.955848   6.305157   7.233318   5.528603   5.216319
    41  H    6.902809   6.734349   8.007296   5.231443   5.001388
    42  C    5.435639   6.078005   6.655628   6.330683   6.115086
    43  H    4.976801   5.472924   5.968081   6.566010   6.550269
    44  H    6.375408   7.097283   7.543362   7.322166   7.003282
    45  H    4.889406   5.795333   6.285644   5.984182   5.746955
    46  C    6.507127   6.983757   7.992646   5.079208   4.465892
    47  H    7.097817   7.358240   8.550010   4.775697   4.084934
    48  H    5.831365   6.454235   7.435643   4.434947   3.820255
    49  H    7.281030   7.909682   8.786331   6.041488   5.313415
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056157   0.000000
    18  C    1.466124   3.417906   0.000000
    19  H    2.099481   4.086486   1.101907   0.000000
    20  H    2.122299   3.993382   1.102830   1.790917   0.000000
    21  H    2.102691   3.651245   1.096890   1.798267   1.797179
    22  C    1.463393   2.561019   2.491276   2.613858   2.928248
    23  H    2.115784   3.301830   2.805759   2.951960   2.822379
    24  H    2.105557   3.353566   2.721340   2.382466   3.314146
    25  H    2.107037   2.159283   3.419628   3.629192   3.891640
    26  C    6.158622   5.479664   6.825472   6.771980   7.901853
    27  O    6.897588   6.394342   7.361826   7.269390   8.451177
    28  N    5.164000   4.247321   5.966043   6.097070   6.995498
    29  H    6.477070   5.787316   7.239985   7.095709   8.305841
    30  C    4.760000   3.508336   5.851187   6.039252   6.797276
    31  H    5.389476   3.797015   6.566691   6.883135   7.442360
    32  H    3.695606   2.445508   4.863076   5.121890   5.764574
    33  H    5.226892   4.159983   6.323659   6.353372   7.276690
    34  C    5.020882   4.132990   5.657305   5.971221   6.636045
    35  H    5.818807   4.655073   6.521495   6.936974   7.438170
    36  H    5.408351   4.884079   5.782331   5.997962   6.788737
    37  H    4.063309   3.181595   4.734310   5.177482   5.659727
    38  C    5.068598   6.432819   4.151726   3.630722   4.910685
    39  O    5.561854   7.037332   4.673986   3.896842   5.397553
    40  N    5.342558   6.311861   4.685824   4.377656   5.566950
    41  H    4.698898   6.203268   3.572359   3.208047   4.171406
    42  C    6.213115   6.938166   5.787359   5.387518   6.756673
    43  H    6.269227   7.115541   5.864179   5.282541   6.837350
    44  H    7.242190   7.955250   6.736857   6.350685   7.658889
    45  H    6.069045   6.469222   5.886680   5.617851   6.918885
    46  C    5.201657   5.903792   4.627459   4.666318   5.454979
    47  H    4.830250   5.727772   4.059147   4.226708   4.735509
    48  H    4.771785   5.135691   4.509929   4.663160   5.428663
    49  H    6.259913   6.838265   5.683839   5.745532   6.461913
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390593   0.000000
    23  H    3.836033   1.102400   0.000000
    24  H    3.601790   1.102788   1.788817   0.000000
    25  H    4.178979   1.098996   1.797640   1.795993   0.000000
    26  C    6.573452   6.455440   7.557011   6.193478   6.138240
    27  O    6.966613   7.336730   8.435290   7.022487   7.143904
    28  N    5.715061   5.573453   6.662327   5.515597   5.200410
    29  H    7.140777   6.526465   7.608262   6.182002   6.117891
    30  C    5.832986   4.894093   5.936116   4.961680   4.279909
    31  H    6.519711   5.558294   6.534957   5.784140   4.827337
    32  H    4.927851   3.855709   4.886246   4.039520   3.264500
    33  H    6.435743   5.077448   6.101176   4.977857   4.412200
    34  C    5.172948   5.789842   6.830907   5.888422   5.559372
    35  H    6.002630   6.609759   7.617581   6.815288   6.281842
    36  H    5.167209   6.266862   7.305128   6.243342   6.199026
    37  H    4.263497   4.954920   5.946613   5.187621   4.780688
    38  C    3.636267   5.838989   6.476780   5.333014   6.591797
    39  O    4.415338   6.056918   6.644424   5.357163   6.834113
    40  N    3.995277   6.229386   7.016731   5.812681   6.811762
    41  H    2.963392   5.615643   6.131544   5.265940   6.454847
    42  C    5.208620   6.919155   7.807261   6.383764   7.358571
    43  H    5.471669   6.760794   7.627168   6.075233   7.214909
    44  H    6.084279   7.997186   8.866359   7.466944   8.450724
    45  H    5.299630   6.782645   7.754848   6.331108   7.069580
    46  C    3.705463   6.337645   7.127117   6.168895   6.846699
    47  H    3.044348   6.075983   6.740561   6.016632   6.687638
    48  H    3.641490   5.895885   6.776571   5.805346   6.250505
    49  H    4.717753   7.422551   8.214755   7.263900   7.899596
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242491   0.000000
    28  N    1.361249   2.315913   0.000000
    29  H    1.107907   2.057403   2.056422   0.000000
    30  C    2.466874   3.636169   1.464350   2.561120   0.000000
    31  H    3.122340   4.216991   2.119718   3.233498   1.103015
    32  H    3.244741   4.335275   2.108530   3.413242   1.102946
    33  H    2.557490   3.799318   2.103565   2.166731   1.098811
    34  C    2.463310   2.853851   1.464995   3.413360   2.497795
    35  H    3.028382   3.331412   2.123709   3.944815   2.949817
    36  H    2.586184   2.502976   2.101468   3.659806   3.391761
    37  H    3.291863   3.808154   2.098440   4.113538   2.617491
    38  C    6.265326   6.111233   6.131596   6.840846   6.871002
    39  O    6.626490   6.500218   6.652694   7.034102   7.314090
    40  N    5.372554   5.054448   5.305506   6.088721   6.263555
    41  H    6.888518   6.822391   6.553300   7.509149   7.184953
    42  C    4.701019   4.167066   5.000050   5.356796   6.117311
    43  H    4.814869   4.402970   5.236062   5.261448   6.216283
    44  H    5.418694   4.678849   5.827007   6.106966   7.042749
    45  H    3.704173   3.118282   4.038768   4.456654   5.262719
    46  C    5.411171   5.103026   5.092026   6.298435   6.084899
    47  H    6.214910   6.043826   5.715259   7.074835   6.531946
    48  H    4.505802   4.304458   4.066545   5.438963   5.072756
    49  H    5.859325   5.343200   5.657014   6.814646   6.789164
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788880   0.000000
    33  H    1.799081   1.795010   0.000000
    34  C    2.835843   2.717419   3.418674   0.000000
    35  H    2.872614   3.319509   3.914341   1.103416   0.000000
    36  H    3.862148   3.594400   4.166999   1.097676   1.796789
    37  H    2.981941   2.375393   3.622418   1.099369   1.789873
    38  C    7.815414   6.406441   7.211665   5.797025   6.787529
    39  O    8.333683   6.878531   7.479158   6.562070   7.605893
    40  N    7.147129   5.959899   6.689815   4.845717   5.773075
    41  H    8.065814   6.587677   7.626630   6.062028   7.004257
    42  C    7.027462   6.056270   6.397681   4.789396   5.697832
    43  H    7.211343   6.150048   6.318107   5.307487   6.287905
    44  H    7.902872   7.052734   7.335523   5.528309   6.329012
    45  H    6.116085   5.330224   5.588532   3.836967   4.706293
    46  C    6.806703   5.757542   6.727614   4.254300   5.024564
    47  H    7.218230   6.039199   7.225865   4.807331   5.545910
    48  H    5.743492   4.797627   5.781348   3.156846   3.935897
    49  H    7.439594   6.578561   7.457719   4.716695   5.331942
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795189   0.000000
    38  C    5.168088   5.494161   0.000000
    39  O    5.970700   6.320274   1.242583   0.000000
    40  N    4.065411   4.718205   1.362271   2.315020   0.000000
    41  H    5.520921   5.581416   1.108511   2.058808   2.058808
    42  C    3.907773   4.976946   2.470864   2.862200   1.465677
    43  H    4.553494   5.482169   2.575373   2.470476   2.105316
    44  H    4.542166   5.805529   3.092581   3.439722   2.121096
    45  H    2.928406   4.184304   3.261988   3.759815   2.097172
    46  C    3.469918   4.035967   2.469198   3.635573   1.463192
    47  H    4.190678   4.353265   2.557639   3.799068   2.106520
    48  H    2.423471   2.962184   3.157444   4.229175   2.106543
    49  H    3.796638   4.662760   3.214767   4.319358   2.112998
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419691   0.000000
    43  H    3.655781   1.097568   0.000000
    44  H    3.995380   1.102504   1.797174   0.000000
    45  H    4.086121   1.100925   1.797409   1.790053   0.000000
    46  C    2.567371   2.487264   3.384086   2.941221   2.592921
    47  H    2.166218   3.417949   4.183838   3.880754   3.629873
    48  H    3.307160   2.748927   3.600113   3.381236   2.408190
    49  H    3.358377   2.766410   3.807925   2.808471   2.860720
                   46         47         48         49
    46  C    0.000000
    47  H    1.098468   0.000000
    48  H    1.103747   1.796264   0.000000
    49  H    1.101917   1.796318   1.791403   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2162561      0.1964266      0.1832096
 Leave Link  202 at Mon Nov 14 04:58:11 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1850.6793064510 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1849439870 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1850.4943624641 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4048
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.83D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     214
 GePol: Fraction of low-weight points (<1% of avg)   =       5.29%
 GePol: Cavity surface area                          =    469.058 Ang**2
 GePol: Cavity volume                                =    458.739 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040653128 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1850.4902971513 Hartrees.
 Leave Link  301 at Mon Nov 14 04:58:11 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11993 LenP2D=   37510.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 04:58:13 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 04:58:13 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.012684   -0.005206   -0.005372
         Rot=    1.000000    0.000637    0.000232    0.000437 Ang=   0.09 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50870960834    
 Leave Link  401 at Mon Nov 14 04:58:20 2016, MaxMem=  2952790016 cpu:        79.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49158912.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.03D-14 for   2644.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.31D-15 for   2108   1096.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   3689.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.61D-08 for   2536   1481.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.07D-14 for    115.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.86D-14 for   1968    294.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.89D-15 for    271.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.85D-16 for   2316    342.
 E= -1013.44957231126    
 DIIS: error= 8.15D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44957231126     IErMin= 1 ErrMin= 8.15D-04
 ErrMax= 8.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-03 BMatP= 1.21D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.15D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.80D-04 MaxDP=6.15D-03              OVMax= 7.19D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.80D-04    CP:  1.00D+00
 E= -1013.45138206430     Delta-E=       -0.001809753032 Rises=F Damp=F
 DIIS: error= 1.78D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45138206430     IErMin= 2 ErrMin= 1.78D-04
 ErrMax= 1.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-05 BMatP= 1.21D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.78D-03
 Coeff-Com:  0.235D-01 0.977D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.234D-01 0.977D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=4.37D-05 MaxDP=3.61D-03 DE=-1.81D-03 OVMax= 4.17D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.31D-05    CP:  1.00D+00  9.66D-01
 E= -1013.45127895728     Delta-E=        0.000103107016 Rises=F Damp=F
 DIIS: error= 5.35D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45138206430     IErMin= 2 ErrMin= 1.78D-04
 ErrMax= 5.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-04 BMatP= 2.30D-05
 IDIUse=3 WtCom= 3.02D-01 WtEn= 6.98D-01
 Coeff-Com:  0.198D-02 0.725D+00 0.273D+00
 Coeff-En:   0.000D+00 0.806D+00 0.194D+00
 Coeff:      0.596D-03 0.782D+00 0.218D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.60D-05 MaxDP=2.28D-03 DE= 1.03D-04 OVMax= 2.61D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.50D-06    CP:  1.00D+00  9.74D-01  4.34D-01
 E= -1013.45139922928     Delta-E=       -0.000120272001 Rises=F Damp=F
 DIIS: error= 7.33D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45139922928     IErMin= 4 ErrMin= 7.33D-05
 ErrMax= 7.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.54D-06 BMatP= 2.30D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.574D-04 0.251D+00-0.205D-01 0.769D+00
 Coeff:     -0.574D-04 0.251D+00-0.205D-01 0.769D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=6.33D-06 MaxDP=4.13D-04 DE=-1.20D-04 OVMax= 3.61D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.59D-06    CP:  1.00D+00  9.80D-01  3.08D-01  8.12D-01
 E= -1013.45140210525     Delta-E=       -0.000002875966 Rises=F Damp=F
 DIIS: error= 1.87D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45140210525     IErMin= 5 ErrMin= 1.87D-05
 ErrMax= 1.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-07 BMatP= 3.54D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.244D-04 0.134D+00-0.213D-01 0.477D+00 0.410D+00
 Coeff:     -0.244D-04 0.134D+00-0.213D-01 0.477D+00 0.410D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.08D-06 MaxDP=9.20D-05 DE=-2.88D-06 OVMax= 7.55D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.76D-07    CP:  1.00D+00  9.80D-01  3.08D-01  8.30D-01  7.19D-01
 E= -1013.45140225474     Delta-E=       -0.000000149495 Rises=F Damp=F
 DIIS: error= 4.00D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45140225474     IErMin= 6 ErrMin= 4.00D-06
 ErrMax= 4.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.49D-09 BMatP= 1.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-04 0.433D-01-0.856D-02 0.167D+00 0.202D+00 0.597D+00
 Coeff:     -0.192D-04 0.433D-01-0.856D-02 0.167D+00 0.202D+00 0.597D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.49D-07 MaxDP=1.82D-05 DE=-1.49D-07 OVMax= 1.75D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.16D-07    CP:  1.00D+00  9.80D-01  3.09D-01  8.34D-01  7.21D-01
                    CP:  8.57D-01
 E= -1013.45140225833     Delta-E=       -0.000000003584 Rises=F Damp=F
 DIIS: error= 1.61D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45140225833     IErMin= 7 ErrMin= 1.61D-06
 ErrMax= 1.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-09 BMatP= 5.49D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-04 0.988D-02-0.257D-02 0.426D-01 0.730D-01 0.369D+00
 Coeff-Com:  0.508D+00
 Coeff:     -0.126D-04 0.988D-02-0.257D-02 0.426D-01 0.730D-01 0.369D+00
 Coeff:      0.508D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.08D-07 MaxDP=5.20D-06 DE=-3.58D-09 OVMax= 8.83D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.87D-08    CP:  1.00D+00  9.80D-01  3.09D-01  8.35D-01  7.21D-01
                    CP:  8.58D-01  6.64D-01
 E= -1013.45140225933     Delta-E=       -0.000000000999 Rises=F Damp=F
 DIIS: error= 5.78D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45140225933     IErMin= 8 ErrMin= 5.78D-07
 ErrMax= 5.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-10 BMatP= 1.24D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.811D-05 0.451D-02-0.130D-02 0.205D-01 0.399D-01 0.227D+00
 Coeff-Com:  0.363D+00 0.346D+00
 Coeff:     -0.811D-05 0.451D-02-0.130D-02 0.205D-01 0.399D-01 0.227D+00
 Coeff:      0.363D+00 0.346D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=4.65D-08 MaxDP=2.48D-06 DE=-9.99D-10 OVMax= 5.00D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.14D-08    CP:  1.00D+00  9.80D-01  3.09D-01  8.35D-01  7.23D-01
                    CP:  8.59D-01  6.81D-01  5.73D-01
 E= -1013.45140225949     Delta-E=       -0.000000000169 Rises=F Damp=F
 DIIS: error= 1.94D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45140225949     IErMin= 9 ErrMin= 1.94D-07
 ErrMax= 1.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-11 BMatP= 2.19D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.274D-05 0.665D-03-0.231D-03 0.353D-02 0.951D-02 0.657D-01
 Coeff-Com:  0.127D+00 0.247D+00 0.547D+00
 Coeff:     -0.274D-05 0.665D-03-0.231D-03 0.353D-02 0.951D-02 0.657D-01
 Coeff:      0.127D+00 0.247D+00 0.547D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.38D-08 MaxDP=7.18D-07 DE=-1.69D-10 OVMax= 1.34D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.77D-09    CP:  1.00D+00  9.80D-01  3.09D-01  8.35D-01  7.24D-01
                    CP:  8.61D-01  6.78D-01  6.15D-01  6.97D-01
 E= -1013.45140225945     Delta-E=        0.000000000044 Rises=F Damp=F
 DIIS: error= 2.15D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1013.45140225949     IErMin=10 ErrMin= 2.15D-08
 ErrMax= 2.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-13 BMatP= 2.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.867D-06 0.102D-03-0.456D-04 0.701D-03 0.262D-02 0.203D-01
 Coeff-Com:  0.429D-01 0.997D-01 0.262D+00 0.572D+00
 Coeff:     -0.867D-06 0.102D-03-0.456D-04 0.701D-03 0.262D-02 0.203D-01
 Coeff:      0.429D-01 0.997D-01 0.262D+00 0.572D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.95D-09 MaxDP=8.12D-08 DE= 4.37D-11 OVMax= 1.13D-07

 Error on total polarization charges =  0.04314
 SCF Done:  E(RB97D) =  -1013.45140226     A.U. after   10 cycles
            NFock= 10  Conv=0.29D-08     -V/T= 2.0213
 KE= 9.923463623342D+02 PE=-6.032506272845D+03 EE= 2.176218211100D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.55
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:00:20 2016, MaxMem=  2952790016 cpu:      1387.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11993 LenP2D=   37510.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     370
 Leave Link  701 at Mon Nov 14 05:00:28 2016, MaxMem=  2952790016 cpu:        97.2
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:00:28 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:01:05 2016, MaxMem=  2952790016 cpu:       440.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19698359D+00-2.56818635D+00 3.31440261D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000133450   -0.000563476   -0.000181122
      2        6          -0.000076068    0.000106178   -0.000141348
      3        8           0.000070940   -0.000128242   -0.000054113
      4        7           0.000187697    0.000185795    0.000233528
      5        1           0.000029219   -0.000017821    0.000049870
      6        6          -0.000302162   -0.000252182   -0.000824102
      7        1           0.000084593    0.000060727   -0.000065643
      8        1           0.000170155   -0.000115159    0.000628046
      9        1           0.000105678    0.000122353    0.000064743
     10        6          -0.000265698    0.000353430    0.000244557
     11        1          -0.000026899   -0.000024285   -0.000064195
     12        1           0.000112218    0.000018935   -0.000083170
     13        1           0.000060540    0.000000522    0.000025465
     14        6           0.000319365    0.000081594    0.000430342
     15        8           0.000001326   -0.000106775   -0.000162018
     16        7          -0.000553000    0.000287304   -0.000330618
     17        1          -0.000024505   -0.000088782   -0.000014972
     18        6           0.000315228    0.000130486   -0.000561697
     19        1           0.000049389   -0.000168759    0.000242332
     20        1           0.000043867   -0.000026374   -0.000008817
     21        1           0.000075147    0.000090379    0.000226625
     22        6          -0.000269133    0.000188423   -0.000061600
     23        1           0.000018032   -0.000045934   -0.000001657
     24        1           0.000131936    0.000027870   -0.000119748
     25        1          -0.000044356    0.000067482    0.000122003
     26        6          -0.000009471    0.000000820   -0.000167494
     27        8          -0.000088635   -0.000219602    0.000049806
     28        7          -0.000010975   -0.000152424    0.000083799
     29        1          -0.000033878    0.000062578   -0.000019975
     30        6          -0.000479155   -0.000029680    0.000055780
     31        1          -0.000065879   -0.000010034    0.000135329
     32        1           0.000362808    0.000280432    0.000084644
     33        1           0.000112794   -0.000093174    0.000032212
     34        6          -0.000027623    0.000049131    0.000050161
     35        1           0.000015525    0.000046799    0.000067919
     36        1          -0.000065445   -0.000065839   -0.000101299
     37        1          -0.000049265   -0.000128189   -0.000125043
     38        6           0.000596221    0.000078408    0.001211248
     39        8          -0.000004873    0.000022073   -0.000419965
     40        7          -0.000574506   -0.000011774   -0.000355044
     41        1          -0.000049384    0.000020932   -0.000048020
     42        6           0.000046624   -0.000147796    0.000365081
     43        1           0.000013306    0.000040764   -0.000014436
     44        1           0.000000425    0.000007524   -0.000028427
     45        1           0.000124799    0.000209427   -0.000257480
     46        6           0.000309955   -0.000240005   -0.000241321
     47        1          -0.000089853   -0.000017832   -0.000045103
     48        1          -0.000091194    0.000080946    0.000087888
     49        1          -0.000022380    0.000032825    0.000007049
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001211248 RMS     0.000224948
 Leave Link  716 at Mon Nov 14 05:01:06 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000503948 RMS     0.000052917
 Search for a local minimum.
 Step number 111 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .52917D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  106  108  107  110  111
 DE=  1.98D-05 DEPred=-1.49D-05 R=-1.32D+00
 Trust test=-1.32D+00 RLast= 4.27D-01 DXMaxT set to 1.13D-01
 ITU= -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1
 ITU=  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0
 ITU=  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00000   0.00005   0.00046   0.00074   0.00091
     Eigenvalues ---    0.00100   0.00113   0.00165   0.00186   0.00200
     Eigenvalues ---    0.00233   0.00256   0.00312   0.00430   0.00449
     Eigenvalues ---    0.00537   0.00618   0.00641   0.00789   0.00822
     Eigenvalues ---    0.00852   0.00861   0.00930   0.00981   0.01070
     Eigenvalues ---    0.01179   0.01222   0.01255   0.01323   0.01381
     Eigenvalues ---    0.01524   0.01611   0.01645   0.01755   0.01797
     Eigenvalues ---    0.01815   0.01846   0.01856   0.01940   0.02047
     Eigenvalues ---    0.02149   0.02231   0.02331   0.02383   0.02461
     Eigenvalues ---    0.02534   0.02623   0.03027   0.03091   0.03258
     Eigenvalues ---    0.03796   0.04122   0.04491   0.04651   0.05234
     Eigenvalues ---    0.05561   0.05859   0.05960   0.06129   0.06277
     Eigenvalues ---    0.06529   0.06752   0.06877   0.07181   0.07452
     Eigenvalues ---    0.07492   0.07651   0.07888   0.08064   0.08099
     Eigenvalues ---    0.08386   0.08431   0.08686   0.08778   0.08931
     Eigenvalues ---    0.09289   0.09349   0.09475   0.09694   0.09809
     Eigenvalues ---    0.09928   0.10221   0.10452   0.10556   0.10798
     Eigenvalues ---    0.10874   0.11174   0.11276   0.11505   0.12889
     Eigenvalues ---    0.13256   0.14042   0.14488   0.14884   0.15040
     Eigenvalues ---    0.15345   0.15509   0.21018   0.22480   0.22655
     Eigenvalues ---    0.23252   0.24567   0.24679   0.25092   0.26238
     Eigenvalues ---    0.26798   0.27078   0.28144   0.28709   0.29389
     Eigenvalues ---    0.29720   0.30401   0.32790   0.32818   0.32834
     Eigenvalues ---    0.32941   0.33292   0.33333   0.33359   0.33372
     Eigenvalues ---    0.33392   0.33421   0.33476   0.33505   0.33731
     Eigenvalues ---    0.33810   0.33817   0.33838   0.33946   0.33989
     Eigenvalues ---    0.34076   0.34210   0.34275   0.35069   0.38397
     Eigenvalues ---    0.40523   0.40846   0.85944   0.86187   0.86544
     Eigenvalues ---    0.90031
 Eigenvalue     1 is   2.64D-06 Eigenvector:
                         D391      D389      D407      D403      D405
   1                   -0.21467  -0.21427  -0.19462  -0.19343  -0.19217
                         D377      D393      D379      D401      D369
   1                   -0.19067  -0.19045  -0.19031  -0.18964  -0.18899
 Eigenvalue     2 is   5.12D-05 Eigenvector:
                         D399      D381      D385      D387       D54
   1                   -0.15810  -0.14965  -0.13559  -0.13413   0.13345
                          D52      D397      D383      D273      D147
   1                    0.13232  -0.13154  -0.13003   0.12097  -0.11671
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   111  110
 RFO step:  Lambda=-8.68251772D-06.
 NNeg= 0 NP= 2 Switch=  2.50D-03 Rises=F DC= -1.98D-05 SmlDif=  1.00D-05
 RMS Error=  0.3245667885D-03 NUsed= 2 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.11887    0.88113
 Iteration  1 RMS(Cart)=  0.00913825 RMS(Int)=  0.00024234
 Iteration  2 RMS(Cart)=  0.00007108 RMS(Int)=  0.00015905
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00015905
 ITry= 1 IFail=0 DXMaxC= 6.26D-02 DCOld= 1.00D+10 DXMaxT= 1.13D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.57688   0.00009   0.00682   0.00056   0.00740   6.58428
    R2        6.24932   0.00008   0.00911  -0.00224   0.00672   6.25604
    R3        7.19610   0.00008   0.03178  -0.03093   0.00068   7.19678
    R4        6.26979  -0.00002   0.04406  -0.05685  -0.01274   6.25705
    R5        6.52925  -0.00007   0.00028   0.00473   0.00490   6.53415
    R6        5.99260  -0.00001  -0.01763  -0.01641  -0.03405   5.95855
    R7        6.67942   0.00001   0.00833  -0.01131  -0.00310   6.67633
    R8        6.22717  -0.00010   0.00136  -0.01470  -0.01344   6.21373
    R9        6.66654  -0.00020  -0.00028  -0.02802  -0.02823   6.63831
   R10        6.06932  -0.00005  -0.00812  -0.02993  -0.03800   6.03133
   R11        6.93834  -0.00008   0.00762  -0.01368  -0.00612   6.93222
   R12        6.01989   0.00002   0.00359  -0.00592  -0.00231   6.01758
   R13        6.88846  -0.00012   0.00153  -0.00807  -0.00652   6.88194
   R14        6.18988  -0.00008   0.00327   0.00290   0.00625   6.19613
   R15        6.82312  -0.00003   0.01746  -0.00766   0.00998   6.83310
   R16        5.94024   0.00004  -0.00184  -0.00733  -0.00929   5.93096
   R17        6.70744  -0.00020  -0.00968   0.00267  -0.00701   6.70043
   R18        6.55155  -0.00001   0.01295  -0.01251   0.00043   6.55198
   R19        6.21269   0.00003   0.00546  -0.00125   0.00415   6.21684
   R20        6.56518   0.00004   0.00831  -0.00670   0.00153   6.56671
   R21        6.04917   0.00005  -0.00452  -0.00875  -0.01331   6.03586
   R22        7.01922  -0.00014  -0.00652   0.00848   0.00196   7.02119
   R23        6.05352   0.00000  -0.01604   0.01175  -0.00427   6.04926
   R24        2.34953   0.00012   0.00001  -0.00015  -0.00014   2.34940
   R25        2.57153   0.00004   0.00022  -0.00027   0.00011   2.57164
   R26        2.09460  -0.00003   0.00004   0.00009   0.00013   2.09473
   R27        2.76712  -0.00025  -0.00155  -0.00022  -0.00154   2.76558
   R28        2.76986  -0.00016  -0.00145  -0.00025  -0.00168   2.76818
   R29        2.07649  -0.00001   0.00004   0.00013   0.00017   2.07667
   R30        2.08050   0.00047   0.00175  -0.00059   0.00166   2.08217
   R31        2.08241   0.00009   0.00043  -0.00042   0.00001   2.08242
   R32        2.08104  -0.00007   0.00029  -0.00016   0.00027   2.08131
   R33        2.07492  -0.00004  -0.00012   0.00002  -0.00010   2.07482
   R34        2.08334   0.00002   0.00011  -0.00017  -0.00006   2.08328
   R35        2.34898  -0.00016  -0.00010  -0.00023  -0.00033   2.34865
   R36        2.57030   0.00033   0.00118  -0.00052   0.00147   2.57178
   R37        2.09430   0.00002  -0.00010  -0.00012  -0.00022   2.09408
   R38        2.77057  -0.00028  -0.00156   0.00253   0.00047   2.77104
   R39        2.76541  -0.00010  -0.00027   0.00074   0.00078   2.76619
   R40        2.08230  -0.00022  -0.00004   0.00070   0.00052   2.08282
   R41        2.08405  -0.00001   0.00005  -0.00019  -0.00014   2.08391
   R42        2.07282   0.00026   0.00060  -0.00006   0.00054   2.07336
   R43        2.08323   0.00002   0.00004  -0.00006  -0.00002   2.08321
   R44        2.08397  -0.00002   0.00002   0.00086   0.00075   2.08472
   R45        2.07680  -0.00007  -0.00005   0.00007   0.00002   2.07682
   R46        2.34797  -0.00014   0.00004  -0.00014  -0.00010   2.34787
   R47        2.57239   0.00000  -0.00012  -0.00001  -0.00009   2.57230
   R48        2.09364   0.00002  -0.00002   0.00026   0.00024   2.09388
   R49        2.76722  -0.00015  -0.00109   0.00081  -0.00031   2.76691
   R50        2.76844  -0.00004   0.00007  -0.00004  -0.00004   2.76840
   R51        2.08440   0.00001  -0.00001  -0.00004  -0.00005   2.08434
   R52        2.08427  -0.00026  -0.00154   0.00091  -0.00113   2.08314
   R53        2.07645  -0.00002  -0.00006   0.00031   0.00026   2.07671
   R54        2.08515   0.00004   0.00001  -0.00027  -0.00026   2.08489
   R55        2.07431  -0.00005  -0.00019   0.00023   0.00004   2.07435
   R56        2.07751   0.00012   0.00021   0.00004   0.00026   2.07776
   R57        2.34814   0.00037   0.00074  -0.00025   0.00049   2.34863
   R58        2.57432  -0.00050  -0.00154   0.00182   0.00027   2.57459
   R59        2.09478   0.00000   0.00012  -0.00008   0.00004   2.09483
   R60        2.76973   0.00002   0.00003   0.00039   0.00064   2.77037
   R61        2.76503  -0.00003  -0.00050  -0.00036  -0.00084   2.76420
   R62        2.07410   0.00004   0.00022  -0.00028  -0.00007   2.07404
   R63        2.08343  -0.00001  -0.00014   0.00002  -0.00012   2.08331
   R64        2.08045  -0.00002  -0.00029  -0.00014  -0.00025   2.08020
   R65        2.07580   0.00006   0.00017   0.00011   0.00028   2.07608
   R66        2.08578  -0.00012  -0.00049   0.00004  -0.00043   2.08535
   R67        2.08232   0.00003   0.00015  -0.00008   0.00006   2.08238
    A1        0.68475  -0.00002  -0.00242   0.00172  -0.00061   0.68414
    A2        0.96260   0.00005  -0.00283   0.00140  -0.00126   0.96133
    A3        0.72833  -0.00003  -0.00057  -0.00047  -0.00100   0.72733
    A4        1.02038  -0.00002  -0.00030   0.00022  -0.00008   1.02031
    A5        2.37968   0.00000  -0.01490   0.00780  -0.00661   2.37307
    A6        2.04311  -0.00004  -0.00763   0.00106  -0.00640   2.03671
    A7        1.96719  -0.00001   0.00541  -0.01013  -0.00464   1.96255
    A8        1.66779   0.00002   0.00886  -0.01381  -0.00503   1.66276
    A9        1.68367  -0.00003  -0.01243   0.00514  -0.00735   1.67632
   A10        1.39851  -0.00004  -0.01089   0.00286  -0.00812   1.39039
   A11        1.74043   0.00001  -0.00381   0.00270  -0.00104   1.73939
   A12        2.04996   0.00002  -0.00536   0.00518  -0.00009   2.04987
   A13        1.96100   0.00003  -0.00651   0.00815   0.00176   1.96276
   A14        2.06461  -0.00001  -0.01404   0.01107  -0.00283   2.06177
   A15        2.43878   0.00002  -0.00370   0.00333  -0.00030   2.43848
   A16        1.57528   0.00007   0.00376   0.00204   0.00581   1.58109
   A17        1.77841   0.00002   0.00212   0.00229   0.00442   1.78282
   A18        1.56051   0.00004   0.00068   0.00154   0.00221   1.56273
   A19        1.70698  -0.00003  -0.00318   0.00002  -0.00312   1.70386
   A20        2.18111   0.00003   0.00253   0.00158   0.00413   2.18524
   A21        2.39988   0.00002   0.00258   0.00231   0.00493   2.40481
   A22        0.64807   0.00003  -0.00296   0.00329   0.00050   0.64856
   A23        0.65951  -0.00001   0.00028   0.00110   0.00138   0.66090
   A24        2.45420   0.00002  -0.02492   0.01865  -0.00601   2.44820
   A25        2.25774   0.00000  -0.01468   0.00801  -0.00649   2.25125
   A26        2.32045   0.00000   0.00078  -0.00589  -0.00489   2.31556
   A27        2.04377   0.00003   0.00699  -0.01195  -0.00497   2.03880
   A28        1.85100   0.00001  -0.01524   0.00832  -0.00699   1.84401
   A29        1.60312  -0.00002  -0.01210   0.00408  -0.00810   1.59502
   A30        1.34534   0.00000  -0.00308   0.00188  -0.00115   1.34420
   A31        1.65031   0.00002  -0.00500   0.00549   0.00056   1.65086
   A32        1.60836   0.00004  -0.00707   0.01052   0.00355   1.61191
   A33        1.77712   0.00000  -0.01489   0.01442  -0.00037   1.77675
   A34        2.04162   0.00002  -0.00332   0.00314  -0.00013   2.04150
   A35        1.84738   0.00004   0.00026   0.00193   0.00222   1.84960
   A36        1.92004   0.00000  -0.00199   0.00173  -0.00025   1.91979
   A37        1.57436   0.00001  -0.00284   0.00096  -0.00190   1.57246
   A38        1.59903  -0.00006  -0.00656  -0.00083  -0.00738   1.59166
   A39        2.27664   0.00000  -0.00243   0.00114  -0.00127   2.27537
   A40        2.37002  -0.00001  -0.00208   0.00211   0.00007   2.37009
   A41        0.69395  -0.00006  -0.00293   0.00243  -0.00047   0.69349
   A42        0.74952  -0.00003  -0.00088   0.00450   0.00364   0.75316
   A43        2.72583  -0.00002  -0.02819   0.02472  -0.00332   2.72251
   A44        2.64458  -0.00005  -0.01859   0.01185  -0.00643   2.63815
   A45        2.64547  -0.00003   0.00541  -0.01114  -0.00525   2.64023
   A46        2.33438   0.00000   0.00844  -0.01462  -0.00612   2.32826
   A47        2.23543  -0.00003  -0.01824   0.01140  -0.00686   2.22857
   A48        1.99332  -0.00006  -0.01478   0.00656  -0.00825   1.98507
   A49        1.10442   0.00003  -0.00325   0.00514   0.00187   1.10630
   A50        1.46771   0.00004  -0.00464   0.00785   0.00321   1.47093
   A51        1.57985   0.00003  -0.00831   0.01436   0.00609   1.58595
   A52        1.82970  -0.00002  -0.01504   0.01769   0.00272   1.83242
   A53        1.78459   0.00004  -0.00149   0.00287   0.00137   1.78595
   A54        1.71376   0.00003  -0.00233   0.00006  -0.00226   1.71150
   A55        1.65107   0.00004  -0.00253  -0.00107  -0.00362   1.64745
   A56        1.25075   0.00005  -0.00217  -0.00183  -0.00407   1.24668
   A57        1.22257  -0.00001  -0.00466  -0.00360  -0.00829   1.21428
   A58        1.94517   0.00004  -0.00207  -0.00166  -0.00375   1.94142
   A59        1.98944   0.00004  -0.00015  -0.00056  -0.00073   1.98871
   A60        0.84492  -0.00001  -0.00347   0.00562   0.00227   0.84720
   A61        0.77914   0.00000  -0.00151   0.00932   0.00792   0.78707
   A62        2.64653  -0.00004  -0.01968   0.02355   0.00433   2.65086
   A63        2.81908   0.00002  -0.02276   0.02182  -0.00084   2.81824
   A64        2.59007   0.00006   0.00966  -0.01830  -0.00857   2.58150
   A65        2.43458   0.00003  -0.01879   0.01567  -0.00310   2.43147
   A66        2.23243   0.00001  -0.01516   0.00902  -0.00610   2.22633
   A67        0.86263  -0.00002  -0.00371   0.00945   0.00572   0.86835
   A68        1.24002  -0.00001  -0.00449   0.01140   0.00691   1.24693
   A69        1.43079   0.00000  -0.00826   0.01880   0.01058   1.44137
   A70        1.71247  -0.00004  -0.01328   0.02125   0.00805   1.72052
   A71        1.51937  -0.00002  -0.00100   0.00437   0.00331   1.52267
   A72        1.73805   0.00000  -0.00485  -0.00427  -0.00916   1.72889
   A73        1.56916   0.00001  -0.00449  -0.00532  -0.00990   1.55926
   A74        1.13913   0.00001  -0.00396  -0.00579  -0.00988   1.12925
   A75        1.03187  -0.00007  -0.00580  -0.00683  -0.01274   1.01912
   A76        1.78479  -0.00001  -0.00360  -0.00503  -0.00871   1.77607
   A77        1.76940  -0.00003  -0.00105  -0.00294  -0.00407   1.76533
   A78        2.05962   0.00004  -0.02606   0.02139  -0.00451   2.05511
   A79        1.98569   0.00003  -0.01846   0.01344  -0.00493   1.98077
   A80        2.24054   0.00001  -0.00879   0.00523  -0.00338   2.23716
   A81        2.07780   0.00003   0.00153  -0.00435  -0.00277   2.07503
   A82        1.58967   0.00004  -0.01531   0.01009  -0.00529   1.58438
   A83        1.41390   0.00000  -0.01104   0.00458  -0.00653   1.40737
   A84        1.19812   0.00000  -0.00102  -0.00324  -0.00422   1.19390
   A85        1.39297   0.00003  -0.00389   0.00236  -0.00147   1.39150
   A86        1.23319   0.00006  -0.00579   0.00827   0.00258   1.23576
   A87        1.35792   0.00003  -0.01427   0.01361  -0.00056   1.35736
   A88        1.81802   0.00003  -0.00321   0.00198  -0.00119   1.81683
   A89        2.27645   0.00002   0.00074   0.00166   0.00245   2.27890
   A90        2.33484  -0.00002  -0.00405   0.00137  -0.00267   2.33217
   A91        1.94461  -0.00001  -0.00525   0.00060  -0.00468   1.93993
   A92        1.87672  -0.00007  -0.00936  -0.00126  -0.01063   1.86609
   A93        2.62836  -0.00002  -0.00661   0.00074  -0.00586   2.62251
   A94        2.57135  -0.00002  -0.00661   0.00152  -0.00508   2.56627
   A95        1.97660   0.00000  -0.02701   0.02013  -0.00679   1.96981
   A96        2.04230   0.00001  -0.02115   0.01324  -0.00789   2.03441
   A97        2.40411  -0.00001  -0.01539   0.00894  -0.00634   2.39778
   A98        2.33342   0.00001  -0.00265  -0.00252  -0.00510   2.32832
   A99        1.70008   0.00002  -0.01556   0.00740  -0.00827   1.69181
   A100       1.59689  -0.00002  -0.01085   0.00157  -0.00939   1.58750
   A101       0.88957   0.00001   0.00027  -0.00295  -0.00261   0.88696
   A102       1.07094   0.00003  -0.00380   0.00298  -0.00074   1.07020
   A103       0.95033   0.00005  -0.00707   0.00916   0.00217   0.95250
   A104       1.12890   0.00001  -0.01541   0.01368  -0.00164   1.12726
   A105       1.49562   0.00004  -0.00303   0.00249  -0.00046   1.49517
   A106       2.46082   0.00001  -0.00244   0.00426   0.00190   2.46272
   A107       2.34699   0.00001  -0.00651   0.00395  -0.00253   2.34446
   A108       1.91428   0.00001  -0.00617   0.00345  -0.00272   1.91156
   A109       1.74922  -0.00004  -0.00924   0.00166  -0.00756   1.74165
   A110       2.47327   0.00001  -0.00834   0.00308  -0.00522   2.46804
   A111       2.30997   0.00001  -0.00681   0.00317  -0.00361   2.30635
   A112       0.71447   0.00001  -0.00034   0.00221   0.00190   0.71637
   A113       1.00619   0.00000  -0.00014   0.00345   0.00334   1.00952
   A114       0.69762   0.00003  -0.00077   0.00138   0.00084   0.69847
   A115       0.98615   0.00004  -0.00106   0.00245   0.00160   0.98775
   A116       1.82041  -0.00003  -0.00613   0.00452  -0.00171   1.81870
   A117       1.43940  -0.00004  -0.00568   0.00382  -0.00200   1.43739
   A118       1.21574  -0.00004  -0.01086   0.00474  -0.00624   1.20950
   A119       0.93678   0.00001  -0.00794   0.00391  -0.00405   0.93273
   A120       1.25101  -0.00003   0.00142   0.00135   0.00255   1.25356
   A121       1.84102  -0.00001   0.03008  -0.02454   0.00539   1.84641
   A122       1.88866  -0.00001   0.03015  -0.02283   0.00723   1.89589
   A123       2.25456  -0.00003   0.02720  -0.01940   0.00784   2.26240
   A124       2.18656   0.00003   0.02255  -0.01142   0.01131   2.19786
   A125       1.55206  -0.00002   0.02760  -0.02011   0.00741   1.55947
   A126       1.43408  -0.00001   0.02206  -0.01728   0.00467   1.43875
   A127       0.65657  -0.00005   0.00029   0.00304   0.00323   0.65980
   A128       0.66095   0.00001  -0.00005   0.00163   0.00161   0.66256
   A129       2.18179   0.00002  -0.00510   0.00247  -0.00264   2.17915
   A130       1.80829   0.00002  -0.00404   0.00200  -0.00204   1.80625
   A131       1.51875   0.00002  -0.00649   0.00078  -0.00571   1.51303
   A132       1.22189   0.00006  -0.00409   0.00005  -0.00396   1.21792
   A133       1.64576   0.00002   0.00088   0.00216   0.00302   1.64878
   A134       1.69419  -0.00001   0.02693  -0.01883   0.00806   1.70224
   A135       1.89371  -0.00002   0.02745  -0.01711   0.01032   1.90403
   A136       2.32481  -0.00002   0.02680  -0.01630   0.01053   2.33534
   A137       2.41206   0.00005   0.02518  -0.01033   0.01497   2.42704
   A138       1.66906  -0.00001   0.02473  -0.01410   0.01064   1.67969
   A139       1.64900   0.00001   0.01885  -0.01166   0.00721   1.65621
   A140       0.70561  -0.00003  -0.00081   0.00284   0.00194   0.70755
   A141       0.82886   0.00001   0.00095   0.00230   0.00316   0.83201
   A142       2.51640  -0.00001  -0.00769   0.00914   0.00143   2.51782
   A143       2.13812  -0.00002  -0.00804   0.00824   0.00020   2.13832
   A144       1.92159  -0.00002  -0.00939   0.00520  -0.00420   1.91739
   A145       1.63049   0.00002  -0.00605   0.00381  -0.00221   1.62827
   A146       1.85248  -0.00002  -0.00542   0.00915   0.00374   1.85622
   A147       1.27083   0.00003   0.02635  -0.01977   0.00658   1.27741
   A148       1.51487   0.00000   0.02479  -0.01535   0.00946   1.52433
   A149       1.94582   0.00000   0.02455  -0.01559   0.00901   1.95483
   A150       2.12890   0.00005   0.02365  -0.00972   0.01399   2.14289
   A151       1.38549   0.00000   0.02001  -0.00926   0.01076   1.39625
   A152       1.46586   0.00001   0.01313  -0.00522   0.00793   1.47379
   A153       0.76804  -0.00003   0.00033   0.00310   0.00328   0.77131
   A154       0.76318   0.00002   0.00272   0.00167   0.00421   0.76739
   A155       2.82575  -0.00003  -0.00687   0.00888   0.00198   2.82773
   A156       2.44434  -0.00004  -0.00677   0.00816   0.00142   2.44576
   A157       2.17209  -0.00002  -0.00497   0.00262  -0.00229   2.16980
   A158       1.87443   0.00002  -0.00278   0.00207  -0.00065   1.87379
   A159       2.16380  -0.00004  -0.00666   0.01138   0.00479   2.16859
   A160       1.14725   0.00004   0.01957  -0.01294   0.00662   1.15387
   A161       1.47786  -0.00002   0.01721  -0.00836   0.00885   1.48670
   A162       1.87293   0.00000   0.01791  -0.01087   0.00704   1.87997
   A163       2.13514   0.00002   0.01749  -0.00655   0.01091   2.14606
   A164       1.47266  -0.00001   0.01223  -0.00169   0.01055   1.48321
   A165       1.62759  -0.00002   0.00667   0.00147   0.00819   1.63579
   A166       2.16133   0.00001  -0.00060  -0.00529  -0.00583   2.15550
   A167       1.85973   0.00002   0.00201  -0.00510  -0.00302   1.85671
   A168       1.47389   0.00003   0.00159  -0.00628  -0.00461   1.46928
   A169       1.19390   0.00006   0.00216  -0.00585  -0.00351   1.19038
   A170       1.86039   0.00002   0.00640  -0.00361   0.00289   1.86328
   A171       1.91511   0.00001   0.02006  -0.01028   0.00982   1.92493
   A172       2.21591  -0.00003   0.02228  -0.01069   0.01167   2.22757
   A173       2.63638  -0.00003   0.02021  -0.00973   0.01065   2.64703
   A174       2.06294  -0.00002   0.02252  -0.01090   0.01170   2.07464
   A175       2.05831   0.00000   0.01836  -0.01086   0.00760   2.06591
   A176       2.26866  -0.00002   0.00007  -0.00876  -0.00860   2.26006
   A177       2.04582   0.00000   0.00308  -0.00747  -0.00427   2.04155
   A178       1.63315   0.00002   0.00389  -0.00853  -0.00450   1.62866
   A179       1.38440   0.00004   0.00305  -0.00697  -0.00370   1.38070
   A180       2.12636   0.00002   0.00678  -0.00434   0.00254   2.12889
   A181       1.85878   0.00006   0.01515  -0.00371   0.01151   1.87028
   A182       2.23011   0.00000   0.01630  -0.00338   0.01302   2.24312
   A183       2.56326   0.00000   0.00991  -0.00156   0.00852   2.57178
   A184       2.20962   0.00002   0.01912  -0.00495   0.01424   2.22386
   A185       2.28008   0.00002   0.01644  -0.00632   0.01018   2.29026
   A186       0.69374  -0.00001  -0.00107   0.00124   0.00018   0.69392
   A187       0.98654  -0.00005  -0.00205   0.00150  -0.00061   0.98593
   A188       0.69841   0.00001   0.00019   0.00054   0.00072   0.69913
   A189       2.15532  -0.00005  -0.01491   0.01218  -0.00277   2.15256
   A190       1.77108   0.00002  -0.01366   0.01042  -0.00329   1.76779
   A191       1.44182   0.00001  -0.01346   0.01163  -0.00189   1.43993
   A192       1.13678   0.00000  -0.01368   0.01048  -0.00325   1.13354
   A193       1.65199   0.00000  -0.01141   0.00786  -0.00360   1.64840
   A194       1.43131   0.00000  -0.00834   0.00695  -0.00145   1.42986
   A195       0.66818  -0.00004  -0.00014   0.00039   0.00016   0.66834
   A196       2.28330  -0.00008  -0.01034   0.00508  -0.00526   2.27804
   A197       1.88278   0.00001  -0.00962   0.00462  -0.00502   1.87776
   A198       1.66768   0.00000  -0.01051   0.00776  -0.00277   1.66491
   A199       1.34649   0.00001  -0.00983   0.00748  -0.00237   1.34412
   A200       1.62847  -0.00001  -0.00758   0.00227  -0.00533   1.62315
   A201       1.35693  -0.00001  -0.00593   0.00196  -0.00402   1.35290
   A202       0.71249  -0.00002  -0.00055   0.00000  -0.00058   0.71191
   A203       2.65710  -0.00011  -0.00738  -0.00030  -0.00755   2.64955
   A204       2.27592  -0.00003  -0.00886   0.00226  -0.00657   2.26935
   A205       2.08390  -0.00002  -0.01226   0.00897  -0.00330   2.08060
   A206       1.76286  -0.00002  -0.01161   0.00851  -0.00309   1.75977
   A207       1.96058  -0.00005  -0.00562  -0.00145  -0.00707   1.95351
   A208       1.67623  -0.00004  -0.00499  -0.00140  -0.00645   1.66978
   A209       0.82784  -0.00002   0.00417  -0.00122   0.00285   0.83069
   A210       2.64291  -0.00006   0.01063  -0.01366  -0.00289   2.64002
   A211       2.37106  -0.00002   0.00338  -0.00646  -0.00293   2.36813
   A212       2.31080  -0.00004  -0.00625   0.00424  -0.00187   2.30893
   A213       1.99499  -0.00003  -0.00621   0.00538  -0.00073   1.99426
   A214       1.98841  -0.00003   0.00564  -0.00819  -0.00252   1.98589
   A215       1.71401  -0.00002   0.00434  -0.00710  -0.00281   1.71120
   A216       1.94462  -0.00010  -0.00672  -0.00018  -0.00693   1.93769
   A217       1.57397  -0.00001  -0.00616  -0.00022  -0.00642   1.56756
   A218       1.50060  -0.00002  -0.00598   0.00183  -0.00417   1.49643
   A219       1.20524   0.00001  -0.00411   0.00265  -0.00148   1.20376
   A220       1.25073  -0.00003  -0.00585  -0.00045  -0.00634   1.24439
   A221       0.96790  -0.00002  -0.00515  -0.00027  -0.00546   0.96244
   A222       0.72792  -0.00005  -0.00142   0.00123  -0.00015   0.72777
   A223       1.01950  -0.00004  -0.00114   0.00199   0.00090   1.02040
   A224       0.69874  -0.00007  -0.00051  -0.00018  -0.00070   0.69804
   A225       0.98328  -0.00007  -0.00085  -0.00034  -0.00119   0.98209
   A226       0.65771   0.00004   0.00041   0.00135   0.00179   0.65950
   A227       0.66054   0.00000   0.00071  -0.00051   0.00021   0.66075
   A228       0.70358  -0.00001   0.00019   0.00019   0.00042   0.70400
   A229       0.84492  -0.00002   0.00160   0.00092   0.00256   0.84748
   A230       0.75487   0.00005   0.00217   0.00195   0.00413   0.75901
   A231       0.77099   0.00005   0.00450   0.00294   0.00745   0.77844
   A232       1.59518  -0.00004  -0.00354   0.00951   0.00604   1.60121
   A233       1.85591   0.00000   0.00228  -0.01011  -0.00785   1.84806
   A234       2.19058   0.00003  -0.00017   0.00060   0.00041   2.19099
   A235       2.12903   0.00003   0.00028   0.00002   0.00030   2.12932
   A236       1.96323  -0.00006  -0.00013  -0.00062  -0.00073   1.96250
   A237       2.12187   0.00008   0.00112  -0.00182  -0.00059   2.12128
   A238       2.12587  -0.00006   0.00013  -0.00044  -0.00027   2.12560
   A239       2.03396  -0.00001  -0.00090   0.00178   0.00076   2.03472
   A240       1.82453   0.00008   0.00109   0.00788   0.00898   1.83351
   A241       2.54785  -0.00001   0.00041  -0.00857  -0.00813   2.53972
   A242       1.91342   0.00002   0.00049  -0.00086  -0.00045   1.91297
   A243       1.91664   0.00003  -0.00027   0.00082   0.00078   1.91742
   A244       1.91620   0.00002   0.00080   0.00035   0.00122   1.91742
   A245       1.90952   0.00000   0.00034  -0.00168  -0.00145   1.90807
   A246       1.90928  -0.00007  -0.00105  -0.00014  -0.00120   1.90807
   A247       1.89867   0.00000  -0.00032   0.00151   0.00108   1.89975
   A248       1.27926   0.00004   0.00681   0.01236   0.01921   1.29847
   A249       1.90397   0.00011   0.00112   0.00108   0.00214   1.90610
   A250       1.90900   0.00004   0.00023  -0.00114  -0.00104   1.90796
   A251       1.92808  -0.00002  -0.00002  -0.00001   0.00005   1.92813
   A252       1.91047  -0.00003  -0.00026  -0.00054  -0.00069   1.90978
   A253       1.89879  -0.00005  -0.00099  -0.00044  -0.00144   1.89734
   A254       1.91340  -0.00005  -0.00008   0.00105   0.00099   1.91439
   A255       1.72342   0.00005  -0.00120  -0.00154  -0.00265   1.72077
   A256       1.75582   0.00007   0.00536   0.00285   0.00812   1.76394
   A257       2.19108  -0.00001   0.00040  -0.00114  -0.00058   2.19050
   A258       2.12984  -0.00003  -0.00021   0.00117   0.00095   2.13079
   A259       1.96200   0.00005  -0.00015  -0.00003  -0.00034   1.96166
   A260       2.12516  -0.00001   0.00085  -0.00129  -0.00052   2.12463
   A261       2.12388  -0.00002  -0.00021  -0.00005   0.00010   2.12398
   A262       2.03351   0.00004  -0.00046   0.00114   0.00042   2.03393
   A263       1.36269  -0.00003   0.00474  -0.00267   0.00205   1.36474
   A264       1.89985   0.00006   0.00092   0.00080   0.00167   1.90152
   A265       1.93054  -0.00008  -0.00020  -0.00034  -0.00049   1.93005
   A266       1.90948   0.00003   0.00035  -0.00118  -0.00091   1.90857
   A267       1.89618   0.00000  -0.00008  -0.00035  -0.00040   1.89578
   A268       1.91530  -0.00002  -0.00015  -0.00003  -0.00013   1.91516
   A269       1.91238   0.00002  -0.00084   0.00110   0.00028   1.91266
   A270       2.68390   0.00004  -0.00597   0.00444  -0.00145   2.68244
   A271       1.67857  -0.00004   0.00616  -0.00350   0.00256   1.68113
   A272       1.92522   0.00001   0.00015  -0.00135  -0.00115   1.92406
   A273       1.91058   0.00008   0.00104   0.00075   0.00180   1.91237
   A274       1.91661  -0.00001  -0.00130   0.00014  -0.00123   1.91539
   A275       1.89235   0.00002   0.00050   0.00111   0.00162   1.89398
   A276       1.91096   0.00000   0.00006  -0.00025  -0.00020   1.91076
   A277       1.90787  -0.00011  -0.00043  -0.00038  -0.00080   1.90707
   A278       1.82471  -0.00011  -0.00386   0.00639   0.00250   1.82722
   A279       1.73757   0.00002   0.00373  -0.01423  -0.01050   1.72708
   A280       2.19124  -0.00009  -0.00088   0.00057  -0.00034   2.19089
   A281       2.13047   0.00004   0.00024   0.00076   0.00099   2.13146
   A282       1.96139   0.00005   0.00065  -0.00137  -0.00069   1.96070
   A283       2.12208   0.00000   0.00032   0.00152   0.00195   2.12403
   A284       2.11609   0.00002  -0.00088   0.00099   0.00006   2.11615
   A285       2.04219  -0.00002   0.00053  -0.00179  -0.00136   2.04082
   A286       2.74021  -0.00009  -0.02309   0.00197  -0.02113   2.71908
   A287       1.61750   0.00010   0.02332  -0.00243   0.02089   1.63839
   A288       1.92890   0.00000  -0.00165  -0.00226  -0.00379   1.92510
   A289       1.91338   0.00004   0.00153  -0.00002   0.00143   1.91481
   A290       1.91082   0.00002   0.00091   0.00043   0.00125   1.91208
   A291       1.89148  -0.00004  -0.00048  -0.00067  -0.00117   1.89031
   A292       1.91267  -0.00002  -0.00002   0.00026   0.00024   1.91291
   A293       1.90636  -0.00001  -0.00029   0.00230   0.00207   1.90844
   A294       1.37249  -0.00010  -0.01203  -0.01017  -0.02225   1.35024
   A295       1.14290  -0.00001   0.00579   0.00516   0.01100   1.15390
   A296       1.93328   0.00002   0.00037   0.00202   0.00243   1.93570
   A297       1.90833  -0.00002  -0.00080  -0.00044  -0.00130   1.90703
   A298       1.90238  -0.00001  -0.00060  -0.00217  -0.00284   1.89954
   A299       1.91001   0.00001  -0.00030   0.00048   0.00019   1.91020
   A300       1.89703   0.00004   0.00089   0.00146   0.00237   1.89940
   A301       1.91270  -0.00005   0.00045  -0.00139  -0.00088   1.91182
   A302       1.63742  -0.00010   0.00531  -0.01430  -0.00901   1.62841
   A303       1.81089   0.00000  -0.00449   0.01191   0.00745   1.81834
   A304       2.18806  -0.00006   0.00078  -0.00021   0.00049   2.18854
   A305       2.13189   0.00002  -0.00143   0.00022  -0.00120   2.13069
   A306       1.96290   0.00004   0.00062  -0.00003   0.00065   1.96356
   A307       2.12489   0.00010   0.00012  -0.00092  -0.00077   2.12413
   A308       2.12566  -0.00002  -0.00076  -0.00148  -0.00231   2.12336
   A309       2.02902  -0.00007   0.00067   0.00210   0.00280   2.03182
   A310       1.29512   0.00006   0.00672   0.00155   0.00825   1.30338
   A311       3.05470  -0.00002  -0.00748   0.00136  -0.00612   3.04858
   A312       1.91296  -0.00001  -0.00100  -0.00031  -0.00131   1.91165
   A313       1.92975   0.00001  -0.00002  -0.00193  -0.00189   1.92786
   A314       1.89822   0.00019   0.00235   0.00336   0.00562   1.90384
   A315       1.91193  -0.00004   0.00059  -0.00247  -0.00191   1.91002
   A316       1.91433  -0.00013  -0.00181  -0.00112  -0.00286   1.91147
   A317       1.89649  -0.00001  -0.00012   0.00253   0.00238   1.89887
   A318       1.76889  -0.00001   0.00542   0.00108   0.00651   1.77540
   A319       1.91669  -0.00004  -0.00011  -0.00069  -0.00078   1.91591
   A320       1.91118   0.00010   0.00170   0.00017   0.00186   1.91304
   A321       1.92208  -0.00006  -0.00084   0.00099   0.00016   1.92224
   A322       1.90774   0.00001   0.00034  -0.00121  -0.00088   1.90686
   A323       1.91018   0.00002  -0.00056   0.00023  -0.00034   1.90984
   A324       1.89577  -0.00003  -0.00053   0.00051  -0.00001   1.89575
   A325       2.92979   0.00004   0.00258  -0.00873  -0.00590   2.92389
   A326       3.39065  -0.00005  -0.01561   0.00516  -0.01047   3.38018
   A327       3.10550  -0.00006  -0.01407   0.00288  -0.01124   3.09425
   A328       3.19266  -0.00001   0.00673   0.01341   0.02020   3.21286
   A329       3.27508  -0.00001   0.00390  -0.00157   0.00233   3.27740
   A330       3.28250  -0.00009  -0.01234  -0.00969  -0.02206   3.26044
   A331       3.67907   0.00001   0.00486   0.00130   0.00617   3.68524
   A332       3.26461  -0.00001  -0.02152   0.02620   0.00488   3.26949
   A333       2.93241   0.00000   0.01972  -0.00754   0.01227   2.94468
   A334       2.87688   0.00003   0.01492  -0.00194   0.01305   2.88993
   A335       3.22085   0.00004   0.00749   0.00446   0.01189   3.23274
   A336       3.07761   0.00005  -0.00241  -0.00307  -0.00545   3.07216
   A337       3.10168  -0.00001   0.00112   0.00234   0.00349   3.10518
   A338       3.05523   0.00003  -0.00458   0.00229  -0.00229   3.05294
    D1        2.76017  -0.00003  -0.00152   0.00000  -0.00155   2.75862
    D2       -1.35870  -0.00002  -0.00202   0.00124  -0.00081  -1.35950
    D3        2.78067  -0.00001  -0.00110   0.00395   0.00290   2.78357
    D4       -1.33820   0.00000  -0.00160   0.00519   0.00364  -1.33456
    D5        1.65939   0.00004   0.00148  -0.00342  -0.00195   1.65745
    D6       -2.45948   0.00005   0.00098  -0.00218  -0.00120  -2.46068
    D7        1.84088  -0.00001  -0.00004  -0.00721  -0.00732   1.83356
    D8       -2.27799   0.00000  -0.00054  -0.00597  -0.00658  -2.28457
    D9        0.24233   0.00001   0.03334  -0.03432  -0.00054   0.24178
   D10        2.40664   0.00002   0.03284  -0.03308   0.00020   2.40684
   D11       -0.01887  -0.00004   0.02219  -0.02298  -0.00078  -0.01965
   D12        2.14545  -0.00002   0.02169  -0.02174  -0.00004   2.14541
   D13       -0.48394   0.00000   0.02043  -0.02225  -0.00198  -0.48591
   D14        1.68038   0.00001   0.01993  -0.02101  -0.00124   1.67914
   D15       -0.58504  -0.00001   0.01043  -0.01518  -0.00488  -0.58992
   D16        1.57928   0.00000   0.00993  -0.01394  -0.00414   1.57514
   D17        0.18732  -0.00004   0.01070  -0.01280  -0.00206   0.18526
   D18        2.35163  -0.00003   0.01020  -0.01156  -0.00132   2.35031
   D19        0.13179  -0.00001   0.00591  -0.00720  -0.00128   0.13051
   D20        2.29610   0.00000   0.00541  -0.00596  -0.00054   2.29556
   D21        2.38663  -0.00003   0.00556  -0.01612  -0.01056   2.37607
   D22       -1.73224  -0.00002   0.00506  -0.01488  -0.00982  -1.74206
   D23        2.15012  -0.00003   0.00384  -0.01392  -0.01009   2.14003
   D24       -1.96875  -0.00002   0.00334  -0.01268  -0.00935  -1.97810
   D25        1.69941  -0.00001   0.00691  -0.01680  -0.00989   1.68952
   D26       -2.41946   0.00000   0.00641  -0.01556  -0.00915  -2.42861
   D27        1.39024   0.00002   0.00790  -0.01767  -0.00972   1.38052
   D28       -2.72863   0.00003   0.00740  -0.01643  -0.00898  -2.73761
   D29        2.37493  -0.00002   0.00003  -0.00830  -0.00826   2.36667
   D30       -1.74394  -0.00001  -0.00047  -0.00706  -0.00751  -1.75146
   D31       -1.73063  -0.00006  -0.00934  -0.00292  -0.01229  -1.74292
   D32        0.43368  -0.00005  -0.00984  -0.00168  -0.01155   0.42213
   D33       -2.08097   0.00000  -0.00925  -0.00398  -0.01327  -2.09424
   D34        0.08334   0.00001  -0.00975  -0.00274  -0.01253   0.07082
   D35       -2.45841  -0.00001  -0.00785  -0.00414  -0.01206  -2.47047
   D36       -0.29409   0.00000  -0.00835  -0.00290  -0.01132  -0.30542
   D37       -2.74509  -0.00004  -0.00901  -0.00526  -0.01433  -2.75943
   D38       -0.58078  -0.00002  -0.00951  -0.00402  -0.01359  -0.59437
   D39       -2.10373  -0.00001  -0.01091  -0.00361  -0.01453  -2.11827
   D40        0.06058   0.00000  -0.01141  -0.00237  -0.01379   0.04679
   D41       -2.34763  -0.00001  -0.01065  -0.00250  -0.01315  -2.36077
   D42       -0.18331   0.00000  -0.01115  -0.00126  -0.01240  -0.19572
   D43        1.26826   0.00000  -0.00169  -0.00350  -0.00519   1.26308
   D44       -1.94616  -0.00001   0.01013  -0.02299  -0.01284  -1.95900
   D45        2.45692   0.00001   0.00170  -0.00774  -0.00608   2.45083
   D46       -0.75751   0.00001   0.01353  -0.02723  -0.01374  -0.77125
   D47        2.94126   0.00002   0.00182  -0.01119  -0.00948   2.93178
   D48       -0.27317   0.00001   0.01364  -0.03068  -0.01714  -0.29031
   D49        2.89752  -0.00002  -0.01460  -0.00567  -0.02072   2.87681
   D50       -0.31690  -0.00002  -0.00277  -0.02516  -0.02838  -0.34528
   D51        1.99229  -0.00007   0.02617  -0.03823  -0.01090   1.98139
   D52       -1.22214  -0.00008   0.03799  -0.05772  -0.01856  -1.24070
   D53        1.06862   0.00007   0.04014  -0.04395  -0.00447   1.06415
   D54       -2.14580   0.00006   0.05197  -0.06344  -0.01213  -2.15793
   D55        0.98591   0.00002   0.01311  -0.02116  -0.00829   0.97761
   D56       -2.22852   0.00002   0.02494  -0.04065  -0.01595  -2.24447
   D57        2.01582  -0.00004   0.00407  -0.01433  -0.01010   2.00572
   D58       -1.19860  -0.00005   0.01589  -0.03382  -0.01776  -1.21636
   D59        1.82727   0.00000   0.00119  -0.00934  -0.00808   1.81919
   D60       -1.38716  -0.00001   0.01302  -0.02882  -0.01574  -1.40289
   D61       -2.28778   0.00000   0.00528  -0.02025  -0.01496  -2.30274
   D62        0.78098   0.00000   0.01710  -0.03974  -0.02262   0.75836
   D63       -2.40980   0.00000   0.00096  -0.01326  -0.01228  -2.42208
   D64        0.65896   0.00000   0.01278  -0.03275  -0.01994   0.63903
   D65       -2.81265   0.00003   0.00125  -0.01194  -0.01065  -2.82330
   D66        0.25611   0.00002   0.01307  -0.03143  -0.01830   0.23780
   D67       -2.97636   0.00002  -0.00487  -0.00811  -0.01293  -2.98929
   D68        0.09240   0.00002   0.00696  -0.02760  -0.02058   0.07181
   D69       -2.12452   0.00001  -0.00174  -0.00791  -0.00960  -2.13411
   D70        0.94424   0.00000   0.01009  -0.02739  -0.01725   0.92699
   D71       -0.13259  -0.00007  -0.00989  -0.00734  -0.01724  -0.14984
   D72        2.93617  -0.00008   0.00193  -0.02683  -0.02490   2.91127
   D73       -0.53299   0.00001  -0.00874  -0.00812  -0.01687  -0.54986
   D74        2.53577   0.00000   0.00309  -0.02761  -0.02452   2.51125
   D75       -0.70183  -0.00002  -0.00828  -0.00747  -0.01575  -0.71758
   D76        2.36693  -0.00002   0.00355  -0.02695  -0.02341   2.34352
   D77       -1.04071   0.00000  -0.00773  -0.00794  -0.01570  -1.05641
   D78        2.02805  -0.00001   0.00409  -0.02743  -0.02336   2.00469
   D79       -0.81738   0.00000  -0.00882  -0.00759  -0.01642  -0.83380
   D80        2.25138  -0.00001   0.00301  -0.02708  -0.02407   2.22730
   D81       -1.12235   0.00000  -0.00796  -0.00706  -0.01503  -1.13738
   D82        1.94641   0.00000   0.00387  -0.02655  -0.02269   1.92372
   D83       -1.53679   0.00005   0.00445   0.00726   0.01174  -1.52505
   D84       -2.61617   0.00002   0.00626   0.00554   0.01171  -2.60446
   D85       -2.95430  -0.00006   0.00530   0.01019   0.01539  -2.93891
   D86        0.72178   0.00002   0.00874  -0.00246   0.00650   0.72829
   D87        0.28979  -0.00004   0.01218  -0.00524   0.00706   0.29685
   D88       -0.11446  -0.00002   0.02442  -0.01784   0.00672  -0.10773
   D89       -0.43983   0.00000   0.01839  -0.01313   0.00515  -0.43469
   D90        0.18263  -0.00003   0.00310   0.00368   0.00677   0.18941
   D91       -0.04948  -0.00001   0.00037   0.00650   0.00685  -0.04263
   D92        2.38520  -0.00003   0.01004  -0.00607   0.00395   2.38915
   D93        2.04364  -0.00002   0.00817  -0.00343   0.00473   2.04837
   D94        1.64403   0.00000   0.00999  -0.00609   0.00390   1.64792
   D95        1.36289   0.00003   0.00763  -0.00328   0.00437   1.36726
   D96        2.05743   0.00001   0.00537   0.00286   0.00823   2.06566
   D97       -1.86571  -0.00009  -0.01034   0.00746  -0.00293  -1.86864
   D98       -2.40603   0.00001  -0.00902   0.00531  -0.00377  -2.40980
   D99       -2.63366  -0.00001  -0.00384   0.00583   0.00194  -2.63172
   D100      -2.96691   0.00002  -0.00129   0.00597   0.00462  -2.96228
   D101      -2.86970   0.00001  -0.01116   0.00533  -0.00592  -2.87562
   D102       2.86707   0.00004  -0.00437   0.00433  -0.00011   2.86696
   D103      -2.81947  -0.00002  -0.03627   0.03369  -0.00296  -2.82243
   D104       1.28066  -0.00003  -0.03736   0.03206  -0.00569   1.27497
   D105       2.86429  -0.00003  -0.02466   0.02749   0.00227   2.86656
   D106       0.68123  -0.00003  -0.02575   0.02586  -0.00045   0.68078
   D107       2.30904   0.00003   0.00149   0.01015   0.01221   2.32125
   D108       0.12598   0.00002   0.00040   0.00852   0.00949   0.13546
   D109       1.69260  -0.00009   0.02694  -0.02031   0.00798   1.70058
   D110      -0.49046  -0.00010   0.02585  -0.02195   0.00526  -0.48520
   D111       2.62314  -0.00001  -0.01497   0.01623   0.00118   2.62432
   D112       0.44007  -0.00001  -0.01605   0.01459  -0.00154   0.43854
   D113       2.27661   0.00000  -0.01012   0.01381   0.00384   2.28045
   D114       0.09355   0.00000  -0.01121   0.01217   0.00112   0.09467
   D115      -1.61138  -0.00003  -0.00144   0.00233   0.00063  -1.61075
   D116       2.48875  -0.00003  -0.00253   0.00070  -0.00209   2.48666
   D117      -1.76972   0.00001  -0.00025   0.00156   0.00114  -1.76859
   D118       2.33040   0.00001  -0.00133  -0.00007  -0.00159   2.32881
   D119      -2.73432   0.00005  -0.00086   0.00015  -0.00063  -2.73495
   D120       1.36580   0.00005  -0.00194  -0.00149  -0.00335   1.36245
   D121      -2.68877   0.00000  -0.00397   0.00143  -0.00242  -2.69119
   D122       1.41135  -0.00001  -0.00505  -0.00021  -0.00514   1.40621
   D123       1.34657   0.00001  -0.00825   0.01550   0.00726   1.35383
   D124      -0.83649   0.00000  -0.00934   0.01386   0.00454  -0.83196
   D125       1.32822  -0.00001  -0.01467   0.01737   0.00277   1.33099
   D126      -0.85484  -0.00001  -0.01575   0.01574   0.00005  -0.85479
   D127       1.69251  -0.00003  -0.01900   0.01838  -0.00050   1.69201
   D128      -0.49055  -0.00003  -0.02009   0.01675  -0.00323  -0.49378
   D129       1.81123  -0.00002  -0.01623   0.01732   0.00118   1.81240
   D130      -0.37183  -0.00002  -0.01732   0.01569  -0.00155  -0.37338
   D131       0.93623  -0.00002  -0.01901   0.01906   0.00010   0.93633
   D132      -1.24683  -0.00002  -0.02009   0.01742  -0.00262  -1.24945
   D133      -0.94706   0.00008  -0.00446   0.01265   0.00842  -0.93864
   D134      -3.13012   0.00008  -0.00555   0.01102   0.00570  -3.12442
   D135      -0.52893   0.00000  -0.00139   0.01041   0.00898  -0.51995
   D136      -2.71199   0.00000  -0.00248   0.00878   0.00626  -2.70573
   D137      -0.26075   0.00002   0.00746   0.00194   0.00896  -0.25179
   D138      -2.44381   0.00002   0.00637   0.00030   0.00624  -2.43757
   D139       0.13466   0.00003   0.01315  -0.00024   0.01239   0.14704
   D140      -2.04840   0.00003   0.01206  -0.00188   0.00966  -2.03874
   D141      -0.30325   0.00000  -0.00333   0.01250   0.00910  -0.29415
   D142      -2.48631   0.00000  -0.00442   0.01086   0.00637  -2.47993
   D143      -0.04334   0.00000  -0.00673   0.01397   0.00714  -0.03620
   D144      -2.22640   0.00000  -0.00782   0.01233   0.00442  -2.22198
   D145      -2.40514  -0.00003  -0.03246   0.02247  -0.00979  -2.41492
   D146      -2.63259  -0.00001  -0.04197   0.03332  -0.00850  -2.64109
   D147      -2.26874  -0.00008  -0.06098   0.04962  -0.01064  -2.27938
   D148       3.08337   0.00002  -0.03696   0.03115  -0.00591   3.07745
   D149       2.69976   0.00001  -0.03721   0.03249  -0.00501   2.69475
   D150       1.51136  -0.00004  -0.00197  -0.00134  -0.00357   1.50780
   D151       2.61511   0.00002  -0.00246  -0.00261  -0.00489   2.61023
   D152       2.99626   0.00001  -0.00457  -0.00140  -0.00574   2.99052
   D153       1.20420   0.00002  -0.01064   0.01750   0.00700   1.21120
   D154       1.27328  -0.00001  -0.01613   0.01509  -0.00100   1.27228
   D155       1.67341  -0.00005  -0.02057   0.01529  -0.00533   1.66808
   D156       1.73711  -0.00003  -0.01509   0.01130  -0.00385   1.73325
   D157       0.92530  -0.00002  -0.01848   0.01305  -0.00538   0.91992
   D158      -0.95904   0.00007  -0.01794   0.01939   0.00150  -0.95754
   D159      -0.63261  -0.00001  -0.01942   0.01828  -0.00124  -0.63385
   D160      -0.68095   0.00001  -0.01688   0.01204  -0.00499  -0.68595
   D161      -0.38451  -0.00004  -0.01328   0.00599  -0.00764  -0.39215
   D162      -0.24759   0.00000  -0.02149   0.02015  -0.00150  -0.24909
   D163       0.02840  -0.00001  -0.02056   0.01906  -0.00160   0.02680
   D164      -1.22317  -0.00001  -0.02503   0.01543  -0.00961  -1.23278
   D165       1.71355   0.00001  -0.02128   0.02174   0.00044   1.71400
   D166      -1.59477   0.00000  -0.02485   0.01645  -0.00842  -1.60318
   D167       1.34196   0.00002  -0.02110   0.02276   0.00164   1.34360
   D168      -1.67071   0.00002  -0.02594   0.01975  -0.00632  -1.67703
   D169       1.26602   0.00004  -0.02219   0.02605   0.00373   1.26975
   D170      -1.94196  -0.00003  -0.02114   0.02253   0.00135  -1.94061
   D171       0.99477  -0.00001  -0.01739   0.02884   0.01140   1.00617
   D172      -1.94733   0.00001  -0.02348   0.01491  -0.00855  -1.95588
   D173       0.98940   0.00003  -0.01973   0.02121   0.00150   0.99090
   D174      -2.25170   0.00001  -0.02297   0.01439  -0.00851  -2.26020
   D175       0.68503   0.00003  -0.01922   0.02069   0.00155   0.68657
   D176       1.97754   0.00004   0.00073  -0.00828  -0.00762   1.96992
   D177      -1.36892   0.00006   0.00448  -0.00197   0.00243  -1.36649
   D178       0.83253   0.00002   0.00011  -0.00886  -0.00876   0.82377
   D179      -2.51393   0.00004   0.00386  -0.00255   0.00129  -2.51263
   D180       0.37056   0.00004   0.00058  -0.00952  -0.00900   0.36156
   D181      -2.97590   0.00006   0.00433  -0.00321   0.00105  -2.97484
   D182      -3.07831  -0.00001  -0.01110   0.00998  -0.00121  -3.07952
   D183      -0.14159   0.00001  -0.00735   0.01629   0.00884  -0.13274
   D184       2.94500  -0.00003  -0.01470   0.00925  -0.00556   2.93944
   D185      -0.40146  -0.00001  -0.01096   0.01555   0.00449  -0.39697
   D186       3.10634  -0.00005  -0.01935   0.00804  -0.01149   3.09485
   D187      -0.24012  -0.00003  -0.01560   0.01435  -0.00144  -0.24156
   D188       3.00201  -0.00001  -0.01455   0.00501  -0.00974   2.99227
   D189      -0.34445   0.00001  -0.01080   0.01132   0.00031  -0.34414
   D190       2.50099  -0.00004  -0.01587   0.01003  -0.00592   2.49507
   D191      -0.84547  -0.00002  -0.01212   0.01634   0.00414  -0.84134
   D192       0.39308   0.00006  -0.02320   0.01815  -0.00485   0.38823
   D193      -2.95338   0.00008  -0.01945   0.02446   0.00520  -2.94818
   D194       0.69978  -0.00002  -0.02409   0.01853  -0.00540   0.69437
   D195      -2.64668   0.00000  -0.02034   0.02483   0.00465  -2.64203
   D196       0.53224   0.00000  -0.03836   0.02384  -0.01394   0.51830
   D197      -2.81422   0.00002  -0.03461   0.03014  -0.00388  -2.81811
   D198       1.14458  -0.00001  -0.01655   0.01435  -0.00221   1.14237
   D199      -2.20188   0.00001  -0.01280   0.02065   0.00784  -2.19404
   D200       1.46735  -0.00002  -0.01339   0.01226  -0.00122   1.46613
   D201      -1.87911   0.00000  -0.00965   0.01856   0.00883  -1.87028
   D202       1.59089   0.00003   0.00621  -0.00687  -0.00071   1.59019
   D203      -0.62328   0.00003   0.00583  -0.00388   0.00190  -0.62138
   D204       1.65707   0.00000   0.00799  -0.01210  -0.00415   1.65292
   D205      -0.55710   0.00000   0.00762  -0.00912  -0.00155  -0.55865
   D206       1.32953   0.00004   0.01140  -0.01774  -0.00639   1.32314
   D207      -0.88465   0.00004   0.01102  -0.01476  -0.00378  -0.88843
   D208       1.16315  -0.00002   0.01297  -0.02563  -0.01276   1.15039
   D209      -1.05102  -0.00002   0.01259  -0.02265  -0.01015  -1.06118
   D210       2.08600  -0.00003   0.00855  -0.01417  -0.00566   2.08034
   D211      -0.12817  -0.00003   0.00818  -0.01119  -0.00306  -0.13123
   D212       2.19681  -0.00001   0.01232  -0.01529  -0.00298   2.19383
   D213      -0.01736  -0.00001   0.01195  -0.01230  -0.00037  -0.01774
   D214      -2.19221   0.00002  -0.01772   0.00716  -0.01040  -2.20261
   D215       1.87680   0.00001  -0.01809   0.01014  -0.00779   1.86901
   D216      -2.36896   0.00000  -0.01380  -0.00005  -0.01379  -2.38276
   D217       1.70005   0.00000  -0.01417   0.00294  -0.01119   1.68886
   D218      -1.98632  -0.00001  -0.01243  -0.00447  -0.01701  -2.00333
   D219       2.08269  -0.00002  -0.01281  -0.00149  -0.01440   2.06829
   D220      -2.12336   0.00003   0.00218  -0.02879  -0.02665  -2.15000
   D221       1.94565   0.00002   0.00181  -0.02581  -0.02404   1.92161
   D222      -2.86635   0.00001  -0.01234  -0.00029  -0.01268  -2.87903
   D223       1.20266   0.00001  -0.01271   0.00269  -0.01007   1.19259
   D224       3.07824  -0.00001  -0.01119  -0.00179  -0.01298   3.06526
   D225       0.86407  -0.00002  -0.01156   0.00120  -0.01038   0.85369
   D226      -2.71261   0.00008   0.00086   0.00242   0.00333  -2.70928
   D227       1.35640   0.00007   0.00048   0.00540   0.00594   1.36234
   D228      -2.63983   0.00003  -0.00795   0.00451  -0.00335  -2.64318
   D229       1.42918   0.00002  -0.00833   0.00749  -0.00075   1.42843
   D230      -1.56246   0.00005   0.00057   0.00105   0.00161  -1.56085
   D231       2.50655   0.00004   0.00020   0.00403   0.00422   2.51077
   D232      -0.09896  -0.00005   0.00789  -0.01428  -0.00641  -0.10537
   D233      -2.31314  -0.00006   0.00751  -0.01130  -0.00380  -2.31694
   D234      -0.23068   0.00001   0.00799  -0.01233  -0.00431  -0.23500
   D235      -2.44486   0.00000   0.00762  -0.00935  -0.00171  -2.44656
   D236       0.05284  -0.00001   0.00730  -0.01012  -0.00278   0.05005
   D237      -2.16134  -0.00001   0.00693  -0.00713  -0.00018  -2.16151
   D238      -0.05240   0.00007   0.00985  -0.00712   0.00274  -0.04966
   D239      -2.26657   0.00006   0.00947  -0.00413   0.00534  -2.26123
   D240      -0.62007   0.00000   0.00746  -0.01129  -0.00379  -0.62386
   D241      -2.83424   0.00000   0.00708  -0.00831  -0.00118  -2.83542
   D242      -0.80019   0.00001   0.00424  -0.00985  -0.00559  -0.80577
   D243      -3.01436   0.00001   0.00386  -0.00687  -0.00298  -3.01734
   D244      -2.93929   0.00001   0.00299  -0.00429  -0.00137  -2.94066
   D245      -0.04670   0.00001   0.01125  -0.00675   0.00443  -0.04227
   D246      -3.13478  -0.00001   0.00527  -0.00911  -0.00391  -3.13870
   D247      -0.24219  -0.00001   0.01354  -0.01158   0.00188  -0.24031
   D248       2.75913   0.00003   0.00811  -0.01199  -0.00399   2.75513
   D249      -0.63147   0.00003   0.01637  -0.01445   0.00181  -0.62966
   D250       2.52346  -0.00003   0.00841  -0.01435  -0.00611   2.51734
   D251      -0.86714  -0.00003   0.01668  -0.01681  -0.00031  -0.86745
   D252      -2.91106  -0.00003   0.00687  -0.01381  -0.00702  -2.91808
   D253      -0.01847  -0.00003   0.01513  -0.01628  -0.00122  -0.01970
   D254      -3.08753   0.00001   0.00959  -0.01338  -0.00383  -3.09136
   D255      -0.19494   0.00001   0.01785  -0.01585   0.00197  -0.19297
   D256      -0.61818   0.00000  -0.01456   0.00422  -0.01014  -0.62832
   D257       2.27441   0.00000  -0.00630   0.00176  -0.00434   2.27007
   D258      -0.87789  -0.00002  -0.00910  -0.00148  -0.01059  -0.88847
   D259       2.01471  -0.00002  -0.00084  -0.00394  -0.00479   2.00992
   D260      -0.73116   0.00000  -0.00201  -0.00741  -0.00943  -0.74059
   D261       2.16143   0.00000   0.00625  -0.00987  -0.00363   2.15780
   D262      -0.94697   0.00005   0.00581  -0.01442  -0.00864  -0.95561
   D263       1.94562   0.00005   0.01407  -0.01688  -0.00284   1.94278
   D264      -1.28602  -0.00001  -0.00939  -0.00178  -0.01133  -1.29735
   D265       1.60657  -0.00001  -0.00112  -0.00424  -0.00553   1.60104
   D266      -1.52923  -0.00003  -0.00719  -0.00470  -0.01201  -1.54124
   D267       1.36336  -0.00003   0.00107  -0.00716  -0.00621   1.35715
   D268       1.98372   0.00005   0.00162   0.00101   0.00260   1.98633
   D269      -1.40687   0.00005   0.00988  -0.00145   0.00840  -1.39847
   D270       0.86884   0.00000   0.00012   0.00096   0.00105   0.86989
   D271      -2.52175   0.00000   0.00838  -0.00151   0.00685  -2.51491
   D272       0.85931  -0.00003   0.03425  -0.04080  -0.00614   0.85317
   D273      -2.53128  -0.00003   0.04251  -0.04326  -0.00034  -2.53162
   D274       1.07508  -0.00004   0.01931  -0.02314  -0.00371   1.07136
   D275      -2.31552  -0.00004   0.02757  -0.02560   0.00208  -2.31343
   D276       1.55234  -0.00005   0.01300  -0.01662  -0.00355   1.54879
   D277      -1.83826  -0.00005   0.02126  -0.01908   0.00225  -1.83601
   D278       1.54151   0.00004   0.01375  -0.01071   0.00306   1.54456
   D279      -1.84909   0.00003   0.02201  -0.01318   0.00885  -1.84023
   D280       0.77781  -0.00002   0.01508  -0.01638  -0.00127   0.77654
   D281      -2.61278  -0.00002   0.02334  -0.01884   0.00452  -2.60826
   D282       0.76613  -0.00001   0.00947  -0.01307  -0.00359   0.76254
   D283      -2.62446  -0.00001   0.01773  -0.01553   0.00220  -2.62226
   D284       1.53782   0.00001   0.01232  -0.00699   0.00529   1.54311
   D285      -2.68809   0.00002   0.01759  -0.00473   0.01281  -2.67528
   D286       1.60514  -0.00002   0.01172  -0.00920   0.00250   1.60764
   D287      -2.62077   0.00000   0.01699  -0.00694   0.01002  -2.61075
   D288       1.29214   0.00002   0.01410  -0.01280   0.00126   1.29340
   D289      -2.93377   0.00004   0.01938  -0.01055   0.00878  -2.92499
   D290       1.20749  -0.00001   0.01388  -0.01702  -0.00324   1.20425
   D291      -3.01842   0.00000   0.01915  -0.01477   0.00428  -3.01414
   D292       2.00499  -0.00004   0.01075  -0.00983   0.00091   2.00589
   D293      -2.22092  -0.00002   0.01603  -0.00757   0.00843  -2.21250
   D294       1.98794  -0.00001   0.01240  -0.00791   0.00452   1.99246
   D295      -2.23797   0.00001   0.01768  -0.00565   0.01204  -2.22593
   D296      -2.26667  -0.00001  -0.01591   0.01253  -0.00326  -2.26994
   D297      -0.20940   0.00000  -0.01063   0.01479   0.00426  -0.20514
   D298      -2.25641   0.00001  -0.00901   0.00540  -0.00356  -2.25997
   D299      -0.19913   0.00002  -0.00374   0.00766   0.00396  -0.19517
   D300      -1.87499  -0.00001  -0.00604   0.00445  -0.00158  -1.87657
   D301       0.18229   0.00001  -0.00077   0.00670   0.00594   0.18823
   D302      -1.82230   0.00001   0.00101  -0.00067   0.00036  -1.82194
   D303       0.23497   0.00002   0.00629   0.00159   0.00788   0.24286
   D304      -2.61175   0.00002  -0.00506   0.00070  -0.00439  -2.61613
   D305      -0.55447   0.00003   0.00022   0.00295   0.00314  -0.55133
   D306      -2.74041  -0.00001  -0.00296  -0.00414  -0.00708  -2.74749
   D307      -0.68313   0.00000   0.00231  -0.00188   0.00044  -0.68270
   D308       1.51988   0.00003   0.00382   0.00502   0.00883   1.52872
   D309      -2.70603   0.00004   0.00910   0.00728   0.01635  -2.68967
   D310       2.62351   0.00001   0.00228   0.00676   0.00908   2.63259
   D311      -1.60240   0.00002   0.00755   0.00902   0.01660  -1.58580
   D312       3.01989  -0.00005  -0.00463   0.00859   0.00395   3.02384
   D313      -1.20602  -0.00003   0.00064   0.01085   0.01147  -1.19455
   D314      -0.52285  -0.00001   0.01952  -0.01413   0.00539  -0.51746
   D315       1.53443   0.00001   0.02479  -0.01188   0.01291   1.54734
   D316      -0.36150  -0.00002   0.01805  -0.01172   0.00635  -0.35515
   D317       1.69578   0.00000   0.02333  -0.00947   0.01387   1.70964
   D318       0.06613  -0.00002   0.01765  -0.01094   0.00676   0.07289
   D319       2.12341   0.00000   0.02293  -0.00868   0.01428   2.13769
   D320       0.19595   0.00005   0.02051  -0.00825   0.01228   0.20823
   D321       2.25322   0.00006   0.02578  -0.00599   0.01980   2.27303
   D322      -0.60678  -0.00001   0.01655  -0.01020   0.00636  -0.60042
   D323       1.45049   0.00001   0.02182  -0.00794   0.01388   1.46437
   D324      -0.64218   0.00000   0.01314  -0.01026   0.00288  -0.63930
   D325       1.41509   0.00002   0.01841  -0.00800   0.01040   1.42549
   D326       0.09007   0.00000   0.00196   0.00477   0.00667   0.09675
   D327       2.26176  -0.00002   0.00114   0.00306   0.00413   2.26589
   D328       0.38789   0.00004   0.00468   0.00489   0.00955   0.39744
   D329       2.55958   0.00002   0.00386   0.00318   0.00701   2.56659
   D330       0.76313  -0.00001   0.00071   0.00698   0.00770   0.77083
   D331       2.93482  -0.00003  -0.00012   0.00527   0.00516   2.93998
   D332       1.04370   0.00006   0.00036   0.00710   0.00751   1.05121
   D333      -3.06779   0.00004  -0.00047   0.00539   0.00497  -3.06283
   D334       0.30678   0.00008   0.01135   0.00453   0.01587   0.32265
   D335       2.47847   0.00006   0.01052   0.00282   0.01333   2.49180
   D336       0.68979   0.00008   0.01362   0.00207   0.01570   0.70549
   D337       2.86148   0.00006   0.01279   0.00036   0.01316   2.87464
   D338      -2.33182  -0.00003   0.00624   0.00335   0.00958  -2.32224
   D339      -0.16014  -0.00005   0.00541   0.00164   0.00704  -0.15309
   D340      -1.95758   0.00002   0.00696   0.00471   0.01168  -1.94590
   D341       0.21411   0.00001   0.00613   0.00300   0.00914   0.22325
   D342      -1.89525   0.00004   0.00069   0.01354   0.01430  -1.88095
   D343       0.27644   0.00002  -0.00013   0.01183   0.01176   0.28819
   D344      -1.58512   0.00001  -0.00526   0.02030   0.01504  -1.57009
   D345       0.58656  -0.00001  -0.00609   0.01859   0.01250   0.59906
   D346      -1.60228   0.00000   0.01283  -0.00094   0.01187  -1.59042
   D347       0.56940  -0.00002   0.01201  -0.00265   0.00933   0.57873
   D348      -1.30231   0.00002   0.01297   0.00099   0.01394  -1.28837
   D349       0.86938   0.00000   0.01214  -0.00072   0.01140   0.88078
   D350       1.86774   0.00005  -0.00222   0.01115   0.00894   1.87668
   D351      -2.24376   0.00003  -0.00305   0.00944   0.00640  -2.23736
   D352       2.32089   0.00005  -0.00872   0.01813   0.00932   2.33022
   D353      -1.79060   0.00003  -0.00955   0.01642   0.00678  -1.78382
   D354       2.63142   0.00004  -0.02765   0.03946   0.01137   2.64279
   D355      -1.48008   0.00002  -0.02848   0.03775   0.00883  -1.47125
   D356      -3.01336  -0.00015  -0.02972   0.03074   0.00181  -3.01155
   D357      -0.84167  -0.00017  -0.03055   0.02904  -0.00073  -0.84240
   D358       2.62473   0.00002  -0.00375   0.01014   0.00636   2.63109
   D359      -1.48677   0.00000  -0.00458   0.00843   0.00382  -1.48295
   D360       1.64039  -0.00003  -0.00128   0.00482   0.00347   1.64386
   D361      -2.47111  -0.00005  -0.00211   0.00312   0.00093  -2.47018
   D362       1.81814  -0.00007  -0.00401   0.00334  -0.00068   1.81746
   D363      -2.29336  -0.00009  -0.00484   0.00163  -0.00322  -2.29658
   D364       2.74875   0.00003   0.00048   0.00431   0.00476   2.75352
   D365      -1.36274   0.00002  -0.00035   0.00261   0.00222  -1.36052
   D366       2.74282   0.00002   0.00218   0.00631   0.00848   2.75130
   D367      -1.36868   0.00000   0.00135   0.00460   0.00594  -1.36274
   D368       0.04865   0.00000   0.00922   0.00386   0.01302   0.06167
   D369      -2.38400   0.00000  -0.01830   0.00242  -0.01594  -2.39994
   D370       0.44893   0.00001   0.00890   0.00384   0.01270   0.46163
   D371      -1.98371   0.00000  -0.01862   0.00239  -0.01627  -1.99998
   D372       0.67077  -0.00002   0.00509   0.00416   0.00924   0.68001
   D373      -1.76188  -0.00002  -0.02243   0.00272  -0.01972  -1.78160
   D374       0.94509   0.00004   0.00411   0.00253   0.00665   0.95174
   D375      -1.48756   0.00004  -0.02341   0.00109  -0.02231  -1.50987
   D376       0.68256   0.00000   0.01184   0.00401   0.01584   0.69839
   D377      -1.75009  -0.00001  -0.01568   0.00256  -0.01312  -1.76322
   D378       1.02604  -0.00001   0.01072   0.00390   0.01458   1.04062
   D379      -1.40661  -0.00001  -0.01680   0.00245  -0.01438  -1.42099
   D380      -2.70316  -0.00003  -0.01248   0.02029   0.00834  -2.69482
   D381       1.14738  -0.00003  -0.04000   0.01884  -0.02062   1.12676
   D382      -2.18388   0.00003   0.00036   0.01211   0.01268  -2.17120
   D383       1.66666   0.00003  -0.02716   0.01067  -0.01628   1.65038
   D384      -1.94559   0.00000  -0.00135   0.01681   0.01559  -1.93000
   D385       1.90494  -0.00001  -0.02887   0.01536  -0.01337   1.89157
   D386      -1.62054  -0.00003  -0.00074   0.01807   0.01745  -1.60310
   D387       2.23000  -0.00003  -0.02826   0.01663  -0.01152   2.21848
   D388      -1.73795   0.00000   0.02694  -0.00602   0.02038  -1.71757
   D389       2.11259   0.00000  -0.00058  -0.00747  -0.00859   2.10400
   D390      -1.18649   0.00002   0.03487  -0.00494   0.02982  -1.15667
   D391       2.66405   0.00001   0.00735  -0.00639   0.00086   2.66491
   D392       1.79188   0.00000   0.00573   0.00600   0.01173   1.80361
   D393      -0.64077   0.00000  -0.02179   0.00455  -0.01723  -0.65800
   D394       2.09996   0.00002   0.00352   0.00954   0.01305   2.11301
   D395      -0.33268   0.00002  -0.02400   0.00809  -0.01592  -0.34860
   D396       2.06486   0.00006  -0.00106   0.01672   0.01560   2.08046
   D397      -0.36779   0.00005  -0.02857   0.01527  -0.01336  -0.38115
   D398       2.30422   0.00000  -0.01581   0.02580   0.00988   2.31410
   D399      -0.12843   0.00000  -0.04333   0.02436  -0.01908  -0.14751
   D400       2.49153   0.00002   0.00601   0.00685   0.01287   2.50440
   D401       0.05889   0.00002  -0.02151   0.00540  -0.01610   0.04279
   D402      -1.54042  -0.00007   0.00428   0.00256   0.00676  -1.53366
   D403       2.31012  -0.00007  -0.02324   0.00111  -0.02220   2.28792
   D404      -2.63746   0.00000   0.00421   0.00391   0.00811  -2.62935
   D405       1.21308   0.00000  -0.02331   0.00246  -0.02085   1.19222
   D406      -2.99292   0.00000   0.00627   0.00501   0.01129  -2.98163
   D407       0.85762   0.00000  -0.02124   0.00356  -0.01768   0.83994
   D408       1.91637  -0.00001   0.00148  -0.00235  -0.00095   1.91543
   D409       2.41043   0.00000   0.00240  -0.00174   0.00062   2.41105
   D410       2.65296  -0.00002  -0.00327  -0.00153  -0.00482   2.64815
   D411       2.89091   0.00003  -0.00512  -0.00446  -0.00959   2.88132
   D412       2.82619  -0.00003   0.00765  -0.00100   0.00669   2.83288
   D413      -2.94071  -0.00002  -0.00047   0.00149   0.00100  -2.93970
   D414      -0.70953  -0.00003  -0.01534   0.01029  -0.00497  -0.71451
   D415      -0.33186   0.00003  -0.01424   0.00884  -0.00533  -0.33720
   D416      -0.01013  -0.00001  -0.01904   0.01619  -0.00289  -0.01302
   D417       0.29566  -0.00003  -0.01775   0.01580  -0.00193   0.29373
   D418      -0.21410   0.00002  -0.00747   0.00026  -0.00715  -0.22126
   D419       0.08374   0.00001  -0.00177  -0.00373  -0.00554   0.07819
   D420      -2.52926   0.00001  -0.01112   0.00733  -0.00382  -2.53307
   D421      -2.14759   0.00001  -0.01123   0.00775  -0.00351  -2.15110
   D422      -1.88664   0.00001  -0.01663   0.01391  -0.00276  -1.88940
   D423      -1.56414  -0.00004  -0.02030   0.01451  -0.00571  -1.56985
   D424      -1.94929   0.00000  -0.00642   0.00198  -0.00445  -1.95374
   D425       1.31394   0.00002  -0.00169  -0.00370  -0.00544   1.30850
   D426       2.48298   0.00000  -0.00390  -0.00157  -0.00548   2.47750
   D427       2.96167  -0.00004  -0.00606  -0.00212  -0.00817   2.95350
   D428      -3.05762   0.00000  -0.00783   0.00207  -0.00571  -3.06333
   D429       0.02339   0.00004  -0.00015  -0.00755  -0.00770   0.01569
   D430       0.05588  -0.00006  -0.00859   0.00203  -0.00652   0.04936
   D431       3.13689  -0.00002  -0.00091  -0.00759  -0.00851   3.12838
   D432      -0.09575  -0.00003   0.00687  -0.01923  -0.01241  -0.10815
   D433       2.00272   0.00001   0.00743  -0.02132  -0.01399   1.98873
   D434      -2.19364   0.00003   0.00736  -0.01874  -0.01141  -2.20504
   D435       3.10339  -0.00006  -0.00045  -0.01002  -0.01049   3.09291
   D436      -1.08133  -0.00003   0.00011  -0.01212  -0.01206  -1.09339
   D437       1.00550   0.00000   0.00004  -0.00953  -0.00949   0.99602
   D438      -2.37644   0.00001   0.01193   0.01155   0.02347  -2.35297
   D439      -0.28728   0.00006   0.01243   0.01087   0.02329  -0.26399
   D440       1.82035   0.00001   0.01246   0.01142   0.02388   1.84423
   D441       0.70746   0.00005   0.01930   0.00227   0.02153   0.72899
   D442       2.79662   0.00011   0.01980   0.00159   0.02135   2.81797
   D443      -1.37893   0.00005   0.01983   0.00214   0.02194  -1.35699
   D444       0.00618   0.00004  -0.00484   0.00363  -0.00125   0.00493
   D445       3.10795   0.00006   0.00119  -0.00236  -0.00125   3.10669
   D446      -3.11121  -0.00004  -0.00646   0.00375  -0.00275  -3.11396
   D447      -0.00944  -0.00003  -0.00043  -0.00224  -0.00275  -0.01219
   D448       2.40877   0.00004  -0.00225  -0.00220  -0.00452   2.40425
   D449      -1.79230   0.00003  -0.00190  -0.00234  -0.00427  -1.79657
   D450       0.31594   0.00002  -0.00284  -0.00195  -0.00482   0.31111
   D451      -0.69496   0.00003  -0.00799   0.00352  -0.00452  -0.69947
   D452       1.38716   0.00002  -0.00764   0.00338  -0.00426   1.38290
   D453      -2.78779   0.00001  -0.00858   0.00377  -0.00482  -2.79261
   D454       2.05453  -0.00004   0.00161  -0.00665  -0.00498   2.04955
   D455      -2.14780   0.00004   0.00297  -0.00565  -0.00258  -2.15037
   D456      -0.05315  -0.00004   0.00229  -0.00556  -0.00320  -0.05635
   D457      -1.12490  -0.00003   0.00736  -0.01240  -0.00500  -1.12990
   D458       0.95596   0.00005   0.00872  -0.01139  -0.00260   0.95336
   D459       3.05061  -0.00003   0.00804  -0.01131  -0.00323   3.04738
   D460      -3.08265  -0.00005   0.00252   0.00339   0.00592  -3.07673
   D461      -0.02422  -0.00002   0.00212   0.01384   0.01598  -0.00824
   D462       0.07280   0.00003   0.00227   0.00686   0.00914   0.08194
   D463       3.13123   0.00006   0.00187   0.01732   0.01920  -3.13276
   D464       1.89508   0.00010   0.02161   0.00556   0.02719   1.92226
   D465      -2.30431   0.00008   0.02096   0.00332   0.02430  -2.28001
   D466      -0.21334   0.00011   0.02210   0.00639   0.02849  -0.18485
   D467      -1.16672   0.00007   0.02206  -0.00459   0.01748  -1.14924
   D468       0.91709   0.00005   0.02141  -0.00683   0.01459   0.93168
   D469       3.00805   0.00008   0.02255  -0.00376   0.01879   3.02683
   D470      -1.64865   0.00003   0.00864   0.00497   0.01359  -1.63506
   D471       0.45762   0.00004   0.00798   0.00656   0.01452   0.47213
   D472       2.54813  -0.00003   0.00769   0.00330   0.01098   2.55911
   D473       1.41344   0.00006   0.00826   0.01511   0.02334   1.43678
   D474      -2.76348   0.00007   0.00759   0.01670   0.02427  -2.73921
   D475      -0.67297   0.00000   0.00731   0.01344   0.02073  -0.65223
   D476       0.00425   0.00010  -0.00098   0.01003   0.00902   0.01327
   D477      -3.04282   0.00012  -0.00140   0.01383   0.01241  -3.03040
   D478       3.11831   0.00002  -0.00244   0.00926   0.00680   3.12511
   D479       0.07125   0.00004  -0.00286   0.01306   0.01019   0.08144
   D480      -0.30536   0.00003   0.00328   0.01008   0.01335  -0.29202
   D481       1.80405  -0.00003   0.00336   0.00557   0.00893   1.81299
   D482      -2.39812   0.00008   0.00466   0.00960   0.01421  -2.38391
   D483       2.74666   0.00001   0.00361   0.00630   0.00987   2.75653
   D484      -1.42711  -0.00004   0.00369   0.00179   0.00545  -1.42166
   D485       0.65390   0.00006   0.00499   0.00582   0.01073   0.66463
   D486      -0.07457  -0.00001  -0.00667  -0.00392  -0.01059  -0.08517
   D487       2.02034   0.00004  -0.00526  -0.00573  -0.01100   2.00933
   D488      -2.17934   0.00003  -0.00537  -0.00439  -0.00977  -2.18911
   D489      -3.12655   0.00000  -0.00704  -0.00017  -0.00720  -3.13375
   D490      -1.03164   0.00005  -0.00564  -0.00198  -0.00761  -1.03925
   D491       1.05187   0.00004  -0.00575  -0.00064  -0.00638   1.04549
         Item               Value     Threshold  Converged?
 Maximum Force            0.000504     0.000450     NO 
 RMS     Force            0.000053     0.000300     YES
 Maximum Displacement     0.062606     0.001800     NO 
 RMS     Displacement     0.009138     0.001200     NO 
 Predicted change in Energy=-4.578877D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:01:06 2016, MaxMem=  2952790016 cpu:         8.7
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.785419   -0.588951    1.653438
      2          6           0       -2.071805    1.130405   -1.363482
      3          8           0       -2.607055    0.152427   -1.913694
      4          7           0       -0.777543    1.193633   -0.947785
      5          1           0       -2.636092    2.056186   -1.132735
      6          6           0       -0.262561    2.355265   -0.221712
      7          1           0       -1.030231    3.141000   -0.191091
      8          1           0        0.003850    2.065494    0.807413
      9          1           0        0.636813    2.743612   -0.726338
     10          6           0        0.148628    0.074275   -1.135009
     11          1           0        0.713293   -0.088598   -0.203523
     12          1           0       -0.421317   -0.831717   -1.379613
     13          1           0        0.861336    0.295090   -1.946567
     14          6           0       -2.068508   -3.952417    2.696879
     15          8           0       -2.225148   -3.756651    3.914179
     16          7           0       -2.973685   -3.654054    1.725408
     17          1           0       -1.133700   -4.382204    2.285304
     18          6           0       -4.269091   -3.042979    2.039661
     19          1           0       -4.483323   -2.256667    1.297622
     20          1           0       -5.073557   -3.796026    1.996938
     21          1           0       -4.229647   -2.603471    3.044185
     22          6           0       -2.684369   -3.881408    0.308606
     23          1           0       -3.388181   -4.618981   -0.110794
     24          1           0       -2.795591   -2.935290   -0.247728
     25          1           0       -1.655512   -4.250484    0.194356
     26          6           0        1.611999    0.348302    2.570807
     27          8           0        1.481076    1.376052    3.256548
     28          7           0        1.216031   -0.901867    2.935716
     29          1           0        2.064380    0.368410    1.559530
     30          6           0        1.483718   -2.069903    2.094365
     31          1           0        2.238261   -2.719022    2.569642
     32          1           0        0.557891   -2.653715    1.963280
     33          1           0        1.848012   -1.739572    1.111584
     34          6           0        0.581898   -1.149805    4.232848
     35          1           0        1.330048   -1.451004    4.985692
     36          1           0        0.073513   -0.236453    4.567922
     37          1           0       -0.153333   -1.959445    4.119574
     38          6           0       -4.602115    1.019291    2.878574
     39          8           0       -4.841132    1.580038    1.795481
     40          7           0       -3.546843    1.296244    3.694584
     41          1           0       -5.235890    0.197695    3.268649
     42          6           0       -2.567052    2.334611    3.361402
     43          1           0       -2.650094    2.589465    2.297104
     44          1           0       -2.740721    3.237632    3.969487
     45          1           0       -1.555190    1.955131    3.570866
     46          6           0       -3.265411    0.493865    4.884802
     47          1           0       -4.060089   -0.251238    5.027171
     48          1           0       -2.298699   -0.024017    4.762235
     49          1           0       -3.207078    1.141946    5.774118
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484252   0.000000
     3  O    3.734858   1.243248   0.000000
     4  N    3.310556   1.360852   2.316076   0.000000
     5  H    3.934864   1.108484   2.057921   2.057282   0.000000
     6  C    3.808372   2.465215   3.634825   1.463481   2.559894
     7  H    4.229082   2.549877   3.792797   2.104442   2.154601
     8  H    3.311091   3.145715   4.228603   2.109842   3.276210
     9  H    4.757785   3.216365   4.318187   2.109947   3.368920
    10  C    3.457722   2.469399   2.864656   1.464858   3.417989
    11  H    3.153129   3.253958   3.742659   2.102530   4.084350
    12  H    3.334532   2.564039   2.455858   2.101289   3.647762
    13  H    4.554874   3.105005   3.471480   2.119167   3.999474
    14  C    3.532961   6.505507   6.196545   6.436769   7.147825
    15  O    3.916457   7.194480   7.027863   7.087987   7.709040
    16  N    3.288162   5.765906   5.278900   5.955591   6.394513
    17  H    3.900354   6.677015   6.353365   6.455204   7.442650
    18  C    3.512841   5.816063   5.348084   6.250170   6.223525
    19  H    3.191641   4.936513   4.431329   5.538884   5.283901
    20  H    4.605994   6.676276   6.080046   7.212755   7.069970
    21  H    3.459295   6.166494   5.899860   6.501603   6.457436
    22  C    3.668373   5.318777   4.606130   5.565119   6.110223
    23  H    4.682147   6.029719   5.160130   6.426699   6.794694
    24  H    3.184366   4.277691   3.513543   4.648720   5.071835
    25  H    3.943681   5.617306   4.973424   5.631495   6.518957
    26  C    3.641766   5.446167   6.160320   4.336471   5.888920
    27  O    4.135358   5.833352   6.703841   4.776092   6.056357
    28  N    3.278849   5.781271   6.264528   4.842214   6.335710
    29  H    3.968162   5.121782   5.825138   3.878677   5.673739
    30  C    3.615922   5.902577   6.143103   5.001864   6.664204
    31  H    4.643989   6.990295   7.198793   6.064341   7.763345
    32  H    3.138528   5.683503   5.737791   5.005973   6.478426
    33  H    3.849592   5.452310   5.707854   4.442773   6.289033
    34  C    3.545716   6.600031   7.045936   5.846258   7.030172
    35  H    4.642541   7.651685   8.103907   6.829508   8.091093
    36  H    3.474781   6.453855   7.024815   5.761290   6.715329
    37  H    3.259415   6.579636   6.846977   6.000805   7.062304
    38  C    3.467157   4.940634   5.262847   5.412834   4.585956
    39  O    3.749943   4.224973   4.559293   4.918087   3.696399
    40  N    3.289810   5.271364   5.800371   5.406583   4.970914
    41  H    3.890176   5.686653   5.811153   6.216676   5.439220
    42  C    3.474953   4.901011   5.708780   4.803463   4.503282
    43  H    3.356232   3.982859   4.865370   3.998011   3.471077
    44  H    4.573775   5.773077   6.644409   5.675523   5.238265
    45  H    3.194040   5.029400   5.868268   4.647883   4.827258
    46  C    3.715451   6.393038   6.838828   6.379516   6.248811
    47  H    4.082921   6.833934   7.102807   6.968705   6.730261
    48  H    3.201129   6.237675   6.685376   6.033317   6.260331
    49  H    4.690109   7.227331   7.774422   7.147677   6.990456
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098924   0.000000
     8  H    1.101836   1.795285   0.000000
     9  H    1.101969   1.795395   1.792451   0.000000
    10  C    2.491206   3.418405   2.785484   2.744212   0.000000
    11  H    2.631557   3.670196   2.483026   2.881076   1.101381
    12  H    3.394524   4.191163   3.654816   3.785418   1.097948
    13  H    2.912489   3.841735   3.384379   2.744928   1.102424
    14  C    7.180980   7.728840   6.639278   7.992121   5.984422
    15  O    7.636286   8.115335   6.965472   8.484023   6.767947
    16  N    6.874110   7.322755   6.513191   7.744475   5.641920
    17  H    7.241374   7.920975   6.712003   7.936118   5.762214
    18  C    7.092752   7.328579   6.772958   8.074855   6.269932
    19  H    6.433750   6.578369   6.249489   7.437406   5.727649
    20  H    8.118281   8.322157   7.845537   9.098980   7.215230
    21  H    7.140933   7.328180   6.687667   8.154176   6.618556
    22  C    6.711370   7.231881   6.545302   7.482798   5.075168
    23  H    7.643423   8.110714   7.551899   8.413516   5.965290
    24  H    5.865739   6.327796   5.827352   6.652848   4.302693
    25  H    6.763827   7.427893   6.559033   7.417535   4.870901
    26  C    3.916637   4.733776   2.940145   4.190426   3.993698
    27  O    4.012160   4.616051   2.942073   4.294926   4.770306
    28  N    4.771216   5.582777   3.847634   5.199583   4.320070
    29  H    3.540490   4.508719   2.773365   3.592315   3.319210
    30  C    5.291108   6.220672   4.576873   5.643009   4.099856
    31  H    6.308261   7.255656   5.566834   6.577879   5.088566
    32  H    5.526049   6.382960   4.890187   6.030872   4.148351
    33  H    4.795820   5.813883   4.239337   4.994387   3.350392
    34  C    5.730772   6.370339   4.733487   6.305176   5.522679
    35  H    6.643880   7.311395   5.619837   7.120581   6.417570
    36  H    5.456239   5.939163   4.409676   6.101417   5.711884
    37  H    6.121718   6.735379   5.214907   6.798967   5.642503
    38  C    5.498030   5.165545   5.157438   6.589010   6.290586
    39  O    5.062940   4.572313   4.968481   6.141772   5.979365
    40  N    5.219713   4.983466   4.640573   6.256389   6.202796
    41  H    6.447615   6.190349   6.082864   7.545215   6.957045
    42  C    4.260260   3.953769   3.633844   5.209765   5.718544
    43  H    3.478448   3.019812   3.088227   4.468638   5.092978
    44  H    4.948333   4.499503   4.348021   5.805391   6.664161
    45  H    4.026742   3.979220   3.174817   4.888001   5.346576
    46  C    6.209542   6.145571   5.457397   7.195388   6.933242
    47  H    6.983255   6.922252   6.299937   8.008301   7.469385
    48  H    5.886134   6.013467   5.030746   6.811860   6.385653
    49  H    6.789131   6.657222   5.985913   7.719894   7.754787
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795202   0.000000
    13  H    1.790903   1.798980   0.000000
    14  C    5.574930   5.391641   6.941678   0.000000
    15  O    6.248561   6.311361   7.764749   1.242852   0.000000
    16  N    5.479695   4.911346   6.617139   1.360926   2.315503
    17  H    5.295347   5.152190   6.615586   1.108140   2.058108
    18  C    6.211634   5.602364   7.304382   2.470137   2.863712
    19  H    5.827417   5.069316   6.752897   3.265703   3.767715
    20  H    7.216279   6.467732   8.216533   3.089449   3.433773
    21  H    6.426885   6.100203   7.695932   2.571148   2.470775
    22  C    5.117792   4.155972   5.924607   2.467422   3.636840
    23  H    6.111878   4.975495   6.751041   3.173148   4.277460
    24  H    4.518614   3.367990   5.166674   3.199048   4.280364
    25  H    4.805293   3.960882   5.619638   2.553826   3.795450
    26  C    2.948808   4.597025   4.579629   5.661997   5.777454
    27  O    3.834943   5.476069   5.350231   6.426925   6.364999
    28  N    3.281612   4.616047   5.039366   4.488997   4.576995
    29  H    2.267740   4.032065   3.707479   6.086367   6.400043
    30  C    3.130402   4.150997   4.723313   4.065119   4.462346
    31  H    4.115228   5.121707   5.601512   4.481709   4.775613
    32  H    3.361400   3.931088   4.906570   3.020392   3.573203
    33  H    2.396416   3.490002   3.803376   4.769588   5.339829
    34  C    4.563422   5.710283   6.352242   4.151925   3.844047
    35  H    5.400416   6.630829   7.164129   4.800616   4.370762
    36  H    4.816417   5.997697   6.583447   4.679471   4.254764
    37  H    4.789602   5.620022   6.550615   3.108681   2.750373
    38  C    6.243421   6.247997   7.325009   5.583016   5.434342
    39  O    6.134493   5.952525   6.940617   6.253640   6.309714
    40  N    5.938163   6.328081   7.228896   5.543405   5.227509
    41  H    6.894253   6.770978   8.023973   5.251920   5.011799
    42  C    5.416761   6.091554   6.639881   6.341676   6.125841
    43  H    4.973684   5.494559   5.966829   6.579839   6.562674
    44  H    6.356732   7.110000   7.525494   7.332681   7.013478
    45  H    4.854777   5.793051   6.247992   5.993870   5.761177
    46  C    6.485399   7.006349   7.983555   5.097942   4.482314
    47  H    7.083205   7.390839   8.552890   4.805766   4.110192
    48  H    5.808186   6.472962   7.422646   4.444212   3.828468
    49  H    7.253671   7.926643   8.768018   6.059561   5.331024
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056509   0.000000
    18  C    1.466371   3.418265   0.000000
    19  H    2.101118   4.088202   1.102181   0.000000
    20  H    2.122110   3.993649   1.102756   1.790822   0.000000
    21  H    2.102460   3.650298   1.097174   1.798640   1.797526
    22  C    1.463804   2.561778   2.492159   2.618048   2.926769
    23  H    2.115308   3.298489   2.807889   2.960321   2.821397
    24  H    2.107512   3.357334   2.723040   2.386855   3.311876
    25  H    2.106520   2.159097   3.419651   3.631669   3.890869
    26  C    6.145083   5.477048   6.809561   6.749801   7.886789
    27  O    6.891389   6.398272   7.353439   7.253144   8.443946
    28  N    5.156849   4.249354   5.955991   6.082883   6.986872
    29  H    6.449017   5.772590   7.209781   7.059181   8.275506
    30  C    4.744902   3.497723   5.834782   6.022895   6.781360
    31  H    5.362033   3.770563   6.536931   6.856494   7.412868
    32  H    3.678218   2.439847   4.843255   5.100450   5.746235
    33  H    5.224058   4.153520   6.322907   6.355140   7.274681
    34  C    5.020028   4.145431   5.650333   5.957949   6.632190
    35  H    5.831380   4.685518   6.524097   6.931539   7.445666
    36  H    5.389369   4.884154   5.755598   5.961618   6.765564
    37  H    4.069166   3.193028   4.737040   5.176926   5.664558
    38  C    5.081509   6.446551   4.161337   3.639427   4.918010
    39  O    5.557696   7.037990   4.664669   3.885382   5.384855
    40  N    5.358322   6.328831   4.699923   4.386981   5.580688
    41  H    4.726006   6.226588   3.598205   3.236541   4.194450
    42  C    6.221409   6.951840   5.793307   5.386197   6.762325
    43  H    6.277983   7.134687   5.866162   5.276807   6.836502
    44  H    7.251586   7.967489   6.745830   6.353176   7.668469
    45  H    6.072956   6.480134   5.889903   5.610780   6.923292
    46  C    5.222270   5.922637   4.648813   4.681516   5.478349
    47  H    4.864264   5.757296   4.094230   4.255632   4.772311
    48  H    4.780700   5.146475   4.517631   4.664853   5.438268
    49  H    6.280775   6.854703   5.708558   5.763539   6.491102
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391814   0.000000
    23  H    3.837217   1.102388   0.000000
    24  H    3.606011   1.103186   1.790176   0.000000
    25  H    4.178558   1.099007   1.797511   1.795816   0.000000
    26  C    6.562155   6.439471   7.541000   6.176809   6.121518
    27  O    6.963768   7.326813   8.425501   7.011241   7.132540
    28  N    5.706367   5.567090   6.655593   5.510194   5.193655
    29  H    7.116955   6.494334   7.575913   6.148164   6.085678
    30  C    5.816304   4.882974   5.924181   4.954470   4.268458
    31  H    6.486323   5.540372   6.515476   5.772696   4.811324
    32  H    4.908299   3.841539   4.871912   4.026621   3.252371
    33  H    6.435776   5.076881   6.099420   4.984027   4.406889
    34  C    5.164981   5.790495   6.831100   5.888204   5.561442
    35  H    6.000653   6.625522   7.633605   6.827348   6.301393
    36  H    5.142153   6.247671   7.285620   6.221412   6.183046
    37  H    4.264688   4.962214   5.952594   5.196838   4.786725
    38  C    3.645623   5.856564   6.496158   5.354998   6.607422
    39  O    4.408505   6.057212   6.646261   5.361634   6.834234
    40  N    4.012109   6.246343   7.035337   5.831988   6.826047
    41  H    2.984869   5.649000   6.167255   5.304296   6.485112
    42  C    5.220105   6.926198   7.815550   6.391392   7.363733
    43  H    5.479024   6.769601   7.635734   6.084427   7.224655
    44  H    6.098489   8.005371   8.876613   7.476154   8.455837
    45  H    5.311400   6.781046   7.754574   6.327438   7.065448
    46  C    3.729760   6.357845   7.149282   6.190533   6.863010
    47  H    3.081231   6.110286   6.776970   6.052078   6.718040
    48  H    3.651553   5.904492   6.785800   5.815681   6.256376
    49  H    4.746191   7.441716   8.237309   7.283941   7.913242
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242438   0.000000
    28  N    1.361202   2.315620   0.000000
    29  H    1.108032   2.058023   2.056013   0.000000
    30  C    2.468029   3.636659   1.464185   2.562926   0.000000
    31  H    3.130603   4.220758   2.116841   3.253121   1.102986
    32  H    3.239188   4.331725   2.108970   3.400847   1.102350
    33  H    2.558173   3.800345   2.104426   2.165885   1.098948
    34  C    2.463293   2.853356   1.464974   3.413116   2.496592
    35  H    3.024676   3.317377   2.125312   3.948176   2.960815
    36  H    2.587923   2.510201   2.100528   3.657846   3.386548
    37  H    3.292533   3.813351   2.096461   4.109865   2.606456
    38  C    6.257808   6.105355   6.127392   6.826835   6.869896
    39  O    6.615225   6.492045   6.644487   7.014970   7.308565
    40  N    5.364244   5.047595   5.300239   6.074961   6.260846
    41  H    6.885002   6.819554   6.553408   7.499611   7.188469
    42  C    4.694138   4.161391   4.996770   5.344422   6.116687
    43  H    4.823191   4.411289   5.248252   5.263398   6.232112
    44  H    5.408392   4.668762   5.818936   6.093383   7.037890
    45  H    3.689594   3.106935   4.030573   4.434461   5.255086
    46  C    5.400453   5.094959   5.082354   6.283299   6.075663
    47  H    6.210133   6.040504   5.712699   7.065239   6.530137
    48  H    4.498282   4.302788   4.057107   5.426581   5.060619
    49  H    5.840768   5.326514   5.638935   6.793333   6.772011
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787620   0.000000
    33  H    1.799319   1.795955   0.000000
    34  C    2.823515   2.722731   3.419526   0.000000
    35  H    2.875763   3.343309   3.919217   1.103278   0.000000
    36  H    3.852584   3.586355   4.165871   1.097699   1.796816
    37  H    2.949402   2.374333   3.619631   1.099505   1.791394
    38  C    7.801357   6.399563   7.234482   5.780400   6.762608
    39  O    8.318596   6.863109   7.498812   6.542328   7.579454
    40  N    7.131289   5.953859   6.707647   4.829015   5.744423
    41  H    8.053496   6.588052   7.654254   6.049140   6.984124
    42  C    7.018342   6.050075   6.415094   4.776657   5.670678
    43  H    7.221518   6.155773   6.354445   5.308015   6.276578
    44  H    7.888698   7.043698   7.348241   5.509879   6.291832
    45  H    6.102494   5.318920   5.592914   3.827009   4.682744
    46  C    6.780341   5.749799   6.735912   4.234204   4.991086
    47  H    7.197126   6.040287   7.242418   4.794414   5.522204
    48  H    5.714414   4.786395   5.784946   3.137752   3.905641
    49  H    7.404557   6.565404   7.456293   4.688707   5.284934
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.794764   0.000000
    38  C    5.127601   5.495873   0.000000
    39  O    5.927884   6.317025   1.242842   0.000000
    40  N    4.027264   4.721868   1.362415   2.315667   0.000000
    41  H    5.483280   5.586566   1.108535   2.058380   2.059396
    42  C    3.877969   4.983952   2.470763   2.862329   1.466016
    43  H    4.534365   5.499800   2.571758   2.463984   2.104644
    44  H    4.510799   5.807471   3.094497   3.447556   2.119998
    45  H    2.906860   4.194066   3.261720   3.753678   2.101456
    46  C    3.432520   4.036005   2.467347   3.634084   1.462749
    47  H    4.159061   4.359408   2.554311   3.795710   2.105685
    48  H    2.389619   2.959982   3.153156   4.223574   2.107328
    49  H    3.757282   4.656340   3.216418   4.323379   2.112749
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420191   0.000000
    43  H    3.653875   1.097532   0.000000
    44  H    3.994779   1.102441   1.795884   0.000000
    45  H    4.089923   1.100793   1.795457   1.791421   0.000000
    46  C    2.565629   2.489337   3.386198   2.939619   2.605107
    47  H    2.162510   3.419146   4.184608   3.877066   3.641896
    48  H    3.302582   2.756351   3.609797   3.385585   2.426766
    49  H    3.359325   2.766456   3.807252   2.804653   2.871293
                   46         47         48         49
    46  C    0.000000
    47  H    1.098617   0.000000
    48  H    1.103520   1.795637   0.000000
    49  H    1.101951   1.796251   1.791237   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2160107      0.1962827      0.1837833
 Leave Link  202 at Mon Nov 14 05:01:06 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1850.9972201999 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1852150659 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1850.8120051339 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4041
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.18D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     207
 GePol: Fraction of low-weight points (<1% of avg)   =       5.12%
 GePol: Cavity surface area                          =    468.560 Ang**2
 GePol: Cavity volume                                =    458.707 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040454476 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1850.8079596863 Hartrees.
 Leave Link  301 at Mon Nov 14 05:01:07 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11993 LenP2D=   37520.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.47D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   446   446   446   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:01:08 2016, MaxMem=  2952790016 cpu:        14.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:01:08 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.004347   -0.001813   -0.001413
         Rot=    1.000000   -0.000154   -0.000324    0.000007 Ang=  -0.04 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50867452976    
 Leave Link  401 at Mon Nov 14 05:01:15 2016, MaxMem=  2952790016 cpu:        78.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48989043.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.04D-14 for   3109.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.65D-15 for   2455    187.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.02D-14 for   3109.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.90D-09 for   1471   1433.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.11D-14 for     62.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.45D-14 for   1970    293.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for    651.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.08D-15 for   2429    153.
 E= -1013.45054611071    
 DIIS: error= 6.23D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45054611071     IErMin= 1 ErrMin= 6.23D-04
 ErrMax= 6.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.90D-04 BMatP= 4.90D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.23D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.23D-04 MaxDP=3.37D-03              OVMax= 5.74D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.23D-04    CP:  1.00D+00
 E= -1013.45141496559     Delta-E=       -0.000868854883 Rises=F Damp=F
 DIIS: error= 6.32D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45141496559     IErMin= 2 ErrMin= 6.32D-05
 ErrMax= 6.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.48D-06 BMatP= 4.90D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.205D-01 0.980D+00
 Coeff:      0.205D-01 0.980D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.29D-05 MaxDP=1.07D-03 DE=-8.69D-04 OVMax= 1.47D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.26D-05    CP:  1.00D+00  9.72D-01
 E= -1013.45139471728     Delta-E=        0.000020248313 Rises=F Damp=F
 DIIS: error= 1.67D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45141496559     IErMin= 2 ErrMin= 6.32D-05
 ErrMax= 1.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.30D-05 BMatP= 7.48D-06
 IDIUse=3 WtCom= 4.36D-01 WtEn= 5.64D-01
 Coeff-Com:  0.300D-02 0.689D+00 0.308D+00
 Coeff-En:   0.000D+00 0.766D+00 0.234D+00
 Coeff:      0.131D-02 0.733D+00 0.266D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.42D-05 MaxDP=7.51D-04 DE= 2.02D-05 OVMax= 1.28D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.82D-06    CP:  1.00D+00  9.78D-01  4.49D-01
 E= -1013.45142104552     Delta-E=       -0.000026328237 Rises=F Damp=F
 DIIS: error= 3.02D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45142104552     IErMin= 4 ErrMin= 3.02D-05
 ErrMax= 3.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.96D-07 BMatP= 7.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.773D-04 0.291D+00 0.121D+00 0.587D+00
 Coeff:      0.773D-04 0.291D+00 0.121D+00 0.587D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.39D-06 MaxDP=1.82D-04 DE=-2.63D-05 OVMax= 2.31D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.30D-06    CP:  1.00D+00  9.81D-01  4.02D-01  6.75D-01
 E= -1013.45142136984     Delta-E=       -0.000000324324 Rises=F Damp=F
 DIIS: error= 2.58D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45142136984     IErMin= 5 ErrMin= 2.58D-05
 ErrMax= 2.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-07 BMatP= 5.96D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.260D-04 0.143D+00 0.577D-01 0.408D+00 0.391D+00
 Coeff:     -0.260D-04 0.143D+00 0.577D-01 0.408D+00 0.391D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.23D-06 MaxDP=8.59D-05 DE=-3.24D-07 OVMax= 1.02D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.48D-07    CP:  1.00D+00  9.82D-01  3.97D-01  6.99D-01  5.55D-01
 E= -1013.45142159490     Delta-E=       -0.000000225060 Rises=F Damp=F
 DIIS: error= 1.43D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45142159490     IErMin= 6 ErrMin= 1.43D-06
 ErrMax= 1.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-09 BMatP= 2.60D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.185D-04 0.484D-01 0.196D-01 0.148D+00 0.164D+00 0.620D+00
 Coeff:     -0.185D-04 0.484D-01 0.196D-01 0.148D+00 0.164D+00 0.620D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.94D-07 MaxDP=8.27D-06 DE=-2.25D-07 OVMax= 1.14D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.72D-07    CP:  1.00D+00  9.82D-01  4.00D-01  7.00D-01  5.49D-01
                    CP:  9.09D-01
 E= -1013.45142159659     Delta-E=       -0.000000001692 Rises=F Damp=F
 DIIS: error= 7.13D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45142159659     IErMin= 7 ErrMin= 7.13D-07
 ErrMax= 7.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-10 BMatP= 2.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-04 0.101D-01 0.415D-02 0.342D-01 0.443D-01 0.345D+00
 Coeff-Com:  0.562D+00
 Coeff:     -0.124D-04 0.101D-01 0.415D-02 0.342D-01 0.443D-01 0.345D+00
 Coeff:      0.562D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=6.97D-08 MaxDP=2.90D-06 DE=-1.69D-09 OVMax= 3.64D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.99D-08    CP:  1.00D+00  9.82D-01  3.99D-01  7.03D-01  5.52D-01
                    CP:  9.12D-01  7.03D-01
 E= -1013.45142159699     Delta-E=       -0.000000000397 Rises=F Damp=F
 DIIS: error= 8.19D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45142159699     IErMin= 8 ErrMin= 8.19D-08
 ErrMax= 8.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.56D-12 BMatP= 4.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.455D-05 0.172D-02 0.784D-03 0.629D-02 0.957D-02 0.102D+00
 Coeff-Com:  0.213D+00 0.667D+00
 Coeff:     -0.455D-05 0.172D-02 0.784D-03 0.629D-02 0.957D-02 0.102D+00
 Coeff:      0.213D+00 0.667D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.35D-08 MaxDP=4.77D-07 DE=-3.97D-10 OVMax= 7.19D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.03D-08    CP:  1.00D+00  9.82D-01  3.99D-01  7.02D-01  5.53D-01
                    CP:  9.14D-01  7.09D-01  8.11D-01
 E= -1013.45142159694     Delta-E=        0.000000000053 Rises=F Damp=F
 DIIS: error= 5.33D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45142159699     IErMin= 9 ErrMin= 5.33D-08
 ErrMax= 5.33D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-12 BMatP= 8.56D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.214D-05 0.541D-03 0.272D-03 0.214D-02 0.368D-02 0.463D-01
 Coeff-Com:  0.105D+00 0.415D+00 0.427D+00
 Coeff:     -0.214D-05 0.541D-03 0.272D-03 0.214D-02 0.368D-02 0.463D-01
 Coeff:      0.105D+00 0.415D+00 0.427D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=5.61D-09 MaxDP=4.66D-07 DE= 5.32D-11 OVMax= 5.82D-07

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45142160     A.U. after    9 cycles
            NFock=  9  Conv=0.56D-08     -V/T= 2.0213
 KE= 9.923454778012D+02 PE=-6.033131433402D+03 EE= 2.176526574318D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:03:07 2016, MaxMem=  2952790016 cpu:      1286.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11993 LenP2D=   37520.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 05:03:15 2016, MaxMem=  2952790016 cpu:        97.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:03:16 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:03:53 2016, MaxMem=  2952790016 cpu:       441.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.22350044D+00-2.55319100D+00 3.34184877D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000493099    0.000327857   -0.000518345
      2        6          -0.000140709    0.000144285   -0.000163668
      3        8          -0.000046212   -0.000098836    0.000156811
      4        7          -0.000001659    0.000066417    0.000107209
      5        1           0.000035453   -0.000009453   -0.000146472
      6        6          -0.000242694   -0.000066678    0.000116375
      7        1           0.000062863    0.000045386   -0.000039904
      8        1           0.000222935   -0.000002837    0.000135099
      9        1           0.000096667   -0.000046543    0.000051844
     10        6          -0.000044487    0.000015008    0.000144491
     11        1           0.000058320    0.000045314    0.000067203
     12        1           0.000164115   -0.000003982   -0.000066495
     13        1           0.000015377    0.000010997   -0.000021985
     14        6          -0.000288385    0.000033400   -0.000001919
     15        8           0.000093236   -0.000157150    0.000052782
     16        7          -0.000394179    0.000294043   -0.000235981
     17        1           0.000062629   -0.000040011    0.000025121
     18        6           0.000308434    0.000009244   -0.000415671
     19        1           0.000060699   -0.000382935    0.000312926
     20        1           0.000001890   -0.000022736    0.000026369
     21        1          -0.000024110    0.000040063    0.000039694
     22        6          -0.000205890    0.000073731    0.000147287
     23        1          -0.000001239    0.000064224   -0.000160482
     24        1          -0.000039237   -0.000163369    0.000138014
     25        1          -0.000059813    0.000029342    0.000040263
     26        6          -0.000015230   -0.000225163   -0.000231798
     27        8          -0.000245346   -0.000163452    0.000066542
     28        7          -0.000203458   -0.000089614   -0.000081198
     29        1           0.000301398    0.000156053    0.000147816
     30        6          -0.000016565    0.000146540    0.000162683
     31        1           0.000025680   -0.000054523   -0.000088241
     32        1           0.000188731    0.000090685   -0.000077682
     33        1          -0.000144853   -0.000001054   -0.000010134
     34        6          -0.000253159    0.000140631   -0.000097452
     35        1           0.000041283   -0.000001643    0.000028427
     36        1           0.000058149   -0.000046234    0.000113330
     37        1          -0.000022064   -0.000044254    0.000060935
     38        6           0.000674847   -0.000109999    0.000565025
     39        8          -0.000062557    0.000111379   -0.000058254
     40        7          -0.000575726    0.000016308   -0.000719875
     41        1           0.000023415    0.000057114   -0.000006898
     42        6          -0.000260427    0.000028416   -0.000024702
     43        1          -0.000057232   -0.000037645   -0.000064285
     44        1           0.000224689   -0.000051777    0.000138855
     45        1          -0.000061285   -0.000063862    0.000241158
     46        6           0.000201647   -0.000121839    0.000205124
     47        1          -0.000012163    0.000007861    0.000007610
     48        1           0.000001542    0.000024529   -0.000041311
     49        1           0.000001583    0.000026763   -0.000026242
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000719875 RMS     0.000179006
 Leave Link  716 at Mon Nov 14 05:03:53 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000522849 RMS     0.000046116
 Search for a local minimum.
 Step number 112 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .46116D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  104  105  106  108  107
                                                    110  111  112
 DE= -1.93D-05 DEPred=-4.58D-05 R= 4.22D-01
 Trust test= 4.22D-01 RLast= 2.62D-01 DXMaxT set to 1.13D-01
 ITU=  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1
 ITU= -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0
 ITU=  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00000   0.00014   0.00033   0.00071   0.00091
     Eigenvalues ---    0.00109   0.00112   0.00167   0.00177   0.00203
     Eigenvalues ---    0.00242   0.00262   0.00317   0.00437   0.00449
     Eigenvalues ---    0.00539   0.00630   0.00681   0.00776   0.00827
     Eigenvalues ---    0.00852   0.00859   0.00977   0.01008   0.01093
     Eigenvalues ---    0.01177   0.01214   0.01267   0.01322   0.01390
     Eigenvalues ---    0.01547   0.01609   0.01669   0.01760   0.01789
     Eigenvalues ---    0.01815   0.01837   0.01867   0.01954   0.02093
     Eigenvalues ---    0.02144   0.02229   0.02336   0.02357   0.02479
     Eigenvalues ---    0.02500   0.02622   0.03070   0.03093   0.03262
     Eigenvalues ---    0.03711   0.04157   0.04531   0.04748   0.05234
     Eigenvalues ---    0.05571   0.05884   0.05962   0.06191   0.06287
     Eigenvalues ---    0.06566   0.06745   0.06889   0.07184   0.07467
     Eigenvalues ---    0.07563   0.07648   0.07911   0.08062   0.08140
     Eigenvalues ---    0.08387   0.08403   0.08691   0.08753   0.08926
     Eigenvalues ---    0.09292   0.09335   0.09458   0.09676   0.09883
     Eigenvalues ---    0.09969   0.10329   0.10484   0.10565   0.10774
     Eigenvalues ---    0.10872   0.11166   0.11284   0.11479   0.12848
     Eigenvalues ---    0.13241   0.14018   0.14481   0.14862   0.15122
     Eigenvalues ---    0.15404   0.15542   0.21000   0.22466   0.22798
     Eigenvalues ---    0.23157   0.24526   0.24671   0.25171   0.26239
     Eigenvalues ---    0.26785   0.27090   0.28155   0.28659   0.29404
     Eigenvalues ---    0.29742   0.30400   0.32790   0.32821   0.32834
     Eigenvalues ---    0.32946   0.33292   0.33342   0.33359   0.33375
     Eigenvalues ---    0.33392   0.33421   0.33477   0.33504   0.33730
     Eigenvalues ---    0.33810   0.33818   0.33838   0.33947   0.33987
     Eigenvalues ---    0.34075   0.34211   0.34272   0.35088   0.38505
     Eigenvalues ---    0.40642   0.41102   0.85941   0.86192   0.86552
     Eigenvalues ---    0.90040
 Eigenvalue     1 is   2.19D-06 Eigenvector:
                         D389      D391      D407      D403      D405
   1                   -0.22268  -0.22238  -0.21857  -0.21522  -0.21512
                         D393      D401      D383      D387      D395
   1                   -0.21430  -0.21429  -0.21413  -0.21336  -0.21289
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   112  111  110
 RFO step:  Lambda=-6.50740525D-06.
 NNeg= 0 NP= 3 Switch=  2.50D-03 Rises=F DC= -1.98D-05 SmlDif=  1.00D-05
 RMS Error=  0.2286017784D-03 NUsed= 3 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.39923    0.18148    0.41929
 Iteration  1 RMS(Cart)=  0.00679898 RMS(Int)=  0.00005257
 Iteration  2 RMS(Cart)=  0.00003502 RMS(Int)=  0.00004197
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00004197
 ITry= 1 IFail=0 DXMaxC= 4.63D-02 DCOld= 1.00D+10 DXMaxT= 1.13D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58428   0.00008  -0.00120   0.00337   0.00217   6.58645
    R2        6.25604  -0.00003   0.00030  -0.00315  -0.00288   6.25316
    R3        7.19678  -0.00004   0.01471  -0.01179   0.00293   7.19971
    R4        6.25705   0.00003   0.02862  -0.02083   0.00781   6.26486
    R5        6.53415  -0.00005  -0.00281   0.00040  -0.00243   6.53172
    R6        5.95855  -0.00003   0.01207   0.00436   0.01642   5.97497
    R7        6.67633   0.00010   0.00582   0.00222   0.00802   6.68435
    R8        6.21373   0.00002   0.00872  -0.00181   0.00688   6.22061
    R9        6.63831  -0.00002   0.01683  -0.00609   0.01074   6.64905
   R10        6.03133   0.00005   0.01896   0.00540   0.02437   6.05569
   R11        6.93222  -0.00002   0.00730   0.00006   0.00737   6.93959
   R12        6.01758   0.00002   0.00310   0.00060   0.00370   6.02128
   R13        6.88194  -0.00012   0.00464  -0.00247   0.00217   6.88411
   R14        6.19613  -0.00010  -0.00220   0.00014  -0.00202   6.19410
   R15        6.83310   0.00000   0.00232   0.00434   0.00671   6.83981
   R16        5.93096   0.00007   0.00470   0.00696   0.01163   5.94259
   R17        6.70043  -0.00015  -0.00040  -0.00186  -0.00224   6.69819
   R18        6.55198  -0.00009   0.00591  -0.00268   0.00323   6.55520
   R19        6.21684  -0.00003   0.00010   0.00005   0.00015   6.21699
   R20        6.56671   0.00001   0.00303  -0.00085   0.00218   6.56889
   R21        6.03586   0.00000   0.00585   0.00340   0.00923   6.04509
   R22        7.02119  -0.00004  -0.00428   0.00537   0.00109   7.02228
   R23        6.04926  -0.00004  -0.00507   0.00177  -0.00329   6.04596
   R24        2.34940   0.00005   0.00009   0.00008   0.00017   2.34957
   R25        2.57164   0.00012   0.00004  -0.00029  -0.00024   2.57140
   R26        2.09473  -0.00007  -0.00006   0.00007   0.00001   2.09474
   R27        2.76558   0.00001   0.00019   0.00072   0.00093   2.76651
   R28        2.76818   0.00005   0.00032   0.00076   0.00108   2.76926
   R29        2.07667  -0.00001  -0.00008  -0.00001  -0.00010   2.07657
   R30        2.08217   0.00007  -0.00017  -0.00028  -0.00041   2.08176
   R31        2.08242   0.00003   0.00020  -0.00023  -0.00003   2.08239
   R32        2.08131  -0.00002  -0.00002  -0.00045  -0.00046   2.08085
   R33        2.07482  -0.00005   0.00000  -0.00002  -0.00002   2.07480
   R34        2.08328   0.00003   0.00009  -0.00007   0.00002   2.08330
   R35        2.34865   0.00004   0.00015  -0.00018  -0.00003   2.34862
   R36        2.57178   0.00011  -0.00033  -0.00001  -0.00012   2.57166
   R37        2.09408   0.00006   0.00009   0.00001   0.00009   2.09417
   R38        2.77104  -0.00030  -0.00102   0.00079  -0.00036   2.77068
   R39        2.76619  -0.00011  -0.00059   0.00041  -0.00012   2.76607
   R40        2.08282  -0.00030  -0.00033  -0.00012  -0.00047   2.08235
   R41        2.08391   0.00001   0.00011  -0.00005   0.00006   2.08396
   R42        2.07336   0.00007  -0.00004   0.00010   0.00006   2.07342
   R43        2.08321   0.00001   0.00003  -0.00004  -0.00001   2.08320
   R44        2.08472  -0.00014  -0.00044  -0.00024  -0.00074   2.08398
   R45        2.07682  -0.00006  -0.00004  -0.00003  -0.00007   2.07675
   R46        2.34787  -0.00007   0.00008   0.00007   0.00015   2.34802
   R47        2.57230  -0.00004   0.00000  -0.00026  -0.00029   2.57201
   R48        2.09388   0.00000  -0.00015   0.00004  -0.00011   2.09377
   R49        2.76691  -0.00009  -0.00033   0.00014  -0.00025   2.76666
   R50        2.76840   0.00005   0.00006   0.00006   0.00010   2.76850
   R51        2.08434   0.00001   0.00003   0.00004   0.00007   2.08441
   R52        2.08314  -0.00007  -0.00006   0.00028   0.00013   2.08326
   R53        2.07671  -0.00004  -0.00018  -0.00015  -0.00033   2.07638
   R54        2.08489   0.00005   0.00016  -0.00001   0.00015   2.08504
   R55        2.07435  -0.00002  -0.00011   0.00000  -0.00012   2.07423
   R56        2.07776   0.00002  -0.00005  -0.00007  -0.00013   2.07764
   R57        2.34863   0.00011   0.00006  -0.00041  -0.00036   2.34827
   R58        2.57459  -0.00052  -0.00090   0.00078  -0.00016   2.57443
   R59        2.09483  -0.00005   0.00003  -0.00004  -0.00001   2.09482
   R60        2.77037  -0.00002  -0.00037   0.00006  -0.00030   2.77007
   R61        2.76420   0.00018   0.00026   0.00075   0.00102   2.76521
   R62        2.07404   0.00007   0.00014  -0.00003   0.00011   2.07415
   R63        2.08331   0.00000   0.00001   0.00023   0.00024   2.08355
   R64        2.08020   0.00003   0.00001   0.00005   0.00008   2.08027
   R65        2.07608  -0.00001  -0.00009   0.00005  -0.00004   2.07604
   R66        2.08535  -0.00004   0.00003   0.00031   0.00035   2.08571
   R67        2.08238   0.00000   0.00003  -0.00031  -0.00028   2.08210
    A1        0.68414   0.00003  -0.00078   0.00073  -0.00004   0.68411
    A2        0.96133   0.00005  -0.00059   0.00059   0.00005   0.96139
    A3        0.72733   0.00002   0.00033  -0.00012   0.00021   0.72754
    A4        1.02031   0.00002  -0.00010  -0.00034  -0.00043   1.01988
    A5        2.37307  -0.00003  -0.00312  -0.00023  -0.00327   2.36980
    A6        2.03671  -0.00005   0.00021   0.00040   0.00063   2.03734
    A7        1.96255  -0.00002   0.00536   0.00165   0.00700   1.96955
    A8        1.66276   0.00002   0.00724   0.00081   0.00801   1.67077
    A9        1.67632  -0.00003  -0.00150  -0.00003  -0.00156   1.67476
   A10        1.39039  -0.00001  -0.00030   0.00004  -0.00030   1.39009
   A11        1.73939   0.00003  -0.00119  -0.00060  -0.00175   1.73764
   A12        2.04987   0.00003  -0.00249  -0.00138  -0.00384   2.04603
   A13        1.96276   0.00001  -0.00416  -0.00254  -0.00666   1.95610
   A14        2.06177  -0.00002  -0.00498  -0.00285  -0.00779   2.05398
   A15        2.43848   0.00004  -0.00158  -0.00027  -0.00184   2.43664
   A16        1.58109   0.00004  -0.00170   0.00595   0.00423   1.58532
   A17        1.78282  -0.00002  -0.00165   0.00549   0.00383   1.78666
   A18        1.56273   0.00003  -0.00101   0.00432   0.00330   1.56603
   A19        1.70386   0.00006   0.00036   0.00327   0.00364   1.70750
   A20        2.18524   0.00001  -0.00128   0.00516   0.00387   2.18911
   A21        2.40481   0.00001  -0.00173   0.00586   0.00413   2.40894
   A22        0.64856   0.00002  -0.00171   0.00153  -0.00013   0.64843
   A23        0.66090   0.00001  -0.00070  -0.00019  -0.00088   0.66001
   A24        2.44820   0.00001  -0.00825  -0.00076  -0.00896   2.43924
   A25        2.25125  -0.00001  -0.00309   0.00013  -0.00294   2.24831
   A26        2.31556  -0.00001   0.00331   0.00156   0.00490   2.32046
   A27        2.03880   0.00004   0.00632   0.00060   0.00689   2.04569
   A28        1.84401   0.00001  -0.00305   0.00000  -0.00309   1.84092
   A29        1.59502   0.00002  -0.00089   0.00012  -0.00081   1.59421
   A30        1.34420   0.00001  -0.00078  -0.00050  -0.00125   1.34295
   A31        1.65086   0.00001  -0.00271  -0.00113  -0.00382   1.64705
   A32        1.61191   0.00000  -0.00550  -0.00205  -0.00753   1.60438
   A33        1.77675  -0.00002  -0.00687  -0.00227  -0.00911   1.76764
   A34        2.04150   0.00002  -0.00150  -0.00032  -0.00181   2.03969
   A35        1.84960   0.00002  -0.00121   0.00509   0.00386   1.85346
   A36        1.91979  -0.00002  -0.00079   0.00412   0.00331   1.92310
   A37        1.57246   0.00001  -0.00021   0.00320   0.00297   1.57543
   A38        1.59166   0.00004   0.00131   0.00208   0.00339   1.59504
   A39        2.27537   0.00000  -0.00039   0.00325   0.00285   2.27822
   A40        2.37009  -0.00001  -0.00103   0.00400   0.00297   2.37305
   A41        0.69349   0.00000  -0.00111   0.00104  -0.00006   0.69342
   A42        0.75316  -0.00001  -0.00261   0.00020  -0.00240   0.75076
   A43        2.72251   0.00001  -0.01142  -0.00050  -0.01188   2.71063
   A44        2.63815   0.00000  -0.00498   0.00109  -0.00384   2.63431
   A45        2.64023   0.00001   0.00573   0.00217   0.00802   2.64824
   A46        2.32826   0.00006   0.00770   0.00138   0.00908   2.33734
   A47        2.22857   0.00001  -0.00456   0.00100  -0.00357   2.22500
   A48        1.98507   0.00002  -0.00208   0.00113  -0.00097   1.98410
   A49        1.10630   0.00000  -0.00267  -0.00070  -0.00339   1.10291
   A50        1.47093   0.00000  -0.00414  -0.00079  -0.00494   1.46599
   A51        1.58595  -0.00001  -0.00761  -0.00131  -0.00892   1.57702
   A52        1.83242  -0.00003  -0.00879  -0.00132  -0.01010   1.82232
   A53        1.78595   0.00000  -0.00153   0.00005  -0.00149   1.78446
   A54        1.71150   0.00002   0.00025   0.00320   0.00343   1.71493
   A55        1.64745   0.00000   0.00097   0.00207   0.00302   1.65047
   A56        1.24668   0.00001   0.00141   0.00156   0.00294   1.24962
   A57        1.21428   0.00004   0.00277   0.00074   0.00348   1.21775
   A58        1.94142   0.00000   0.00127   0.00119   0.00243   1.94386
   A59        1.98871  -0.00002   0.00036   0.00253   0.00288   1.99159
   A60        0.84720   0.00000  -0.00302   0.00265  -0.00033   0.84687
   A61        0.78707  -0.00001  -0.00548   0.00235  -0.00311   0.78396
   A62        2.65086   0.00000  -0.01196   0.00077  -0.01109   2.63976
   A63        2.81824   0.00001  -0.01032   0.00237  -0.00791   2.81032
   A64        2.58150   0.00008   0.00974   0.00031   0.01012   2.59162
   A65        2.43147   0.00003  -0.00708   0.00245  -0.00461   2.42687
   A66        2.22633   0.00004  -0.00355   0.00220  -0.00133   2.22500
   A67        0.86835  -0.00002  -0.00521   0.00072  -0.00457   0.86378
   A68        1.24693  -0.00002  -0.00629   0.00088  -0.00546   1.24147
   A69        1.44137  -0.00003  -0.01029   0.00102  -0.00929   1.43208
   A70        1.72052  -0.00004  -0.01116   0.00112  -0.01004   1.71048
   A71        1.52267  -0.00002  -0.00246   0.00100  -0.00151   1.52116
   A72        1.72889   0.00001   0.00320  -0.00027   0.00290   1.73179
   A73        1.55926   0.00001   0.00381  -0.00122   0.00255   1.56181
   A74        1.12925   0.00001   0.00405  -0.00135   0.00265   1.13190
   A75        1.01912   0.00003   0.00489  -0.00155   0.00329   1.02241
   A76        1.77607  -0.00001   0.00352  -0.00163   0.00184   1.77791
   A77        1.76533  -0.00003   0.00195   0.00054   0.00242   1.76775
   A78        2.05511   0.00001  -0.00969  -0.00111  -0.01077   2.04434
   A79        1.98077   0.00001  -0.00583  -0.00032  -0.00615   1.97462
   A80        2.23716  -0.00001  -0.00215   0.00116  -0.00098   2.23618
   A81        2.07503   0.00003   0.00239   0.00017   0.00253   2.07756
   A82        1.58438   0.00002  -0.00411  -0.00018  -0.00431   1.58006
   A83        1.40737   0.00003  -0.00133   0.00002  -0.00134   1.40603
   A84        1.19390  -0.00001   0.00205  -0.00076   0.00130   1.19520
   A85        1.39150   0.00000  -0.00097  -0.00175  -0.00271   1.38880
   A86        1.23576  -0.00001  -0.00430  -0.00244  -0.00672   1.22904
   A87        1.35736  -0.00003  -0.00646  -0.00257  -0.00901   1.34835
   A88        1.81683   0.00001  -0.00081  -0.00157  -0.00237   1.81446
   A89        2.27890   0.00004  -0.00112   0.00544   0.00431   2.28321
   A90        2.33217  -0.00001  -0.00032   0.00361   0.00328   2.33545
   A91        1.93993   0.00001   0.00031   0.00254   0.00284   1.94277
   A92        1.86609   0.00004   0.00193   0.00099   0.00291   1.86900
   A93        2.62251  -0.00001   0.00037   0.00132   0.00168   2.62419
   A94        2.56627  -0.00002  -0.00009   0.00079   0.00068   2.56695
   A95        1.96981   0.00002  -0.00877  -0.00076  -0.00951   1.96029
   A96        2.03441   0.00002  -0.00532  -0.00005  -0.00538   2.02904
   A97        2.39778  -0.00001  -0.00352   0.00118  -0.00233   2.39545
   A98        2.32832   0.00002   0.00180   0.00027   0.00207   2.33039
   A99        1.69181   0.00003  -0.00244   0.00029  -0.00217   1.68964
   A100       1.58750   0.00003   0.00048   0.00045   0.00091   1.58841
   A101       0.88696  -0.00001   0.00170  -0.00096   0.00074   0.88770
   A102       1.07020   0.00000  -0.00136  -0.00167  -0.00302   1.06718
   A103       0.95250  -0.00001  -0.00467  -0.00195  -0.00661   0.94589
   A104       1.12726  -0.00003  -0.00635  -0.00181  -0.00815   1.11912
   A105       1.49517   0.00001  -0.00116  -0.00149  -0.00264   1.49252
   A106       2.46272   0.00001  -0.00230   0.00365   0.00133   2.46405
   A107       2.34446   0.00000  -0.00158   0.00080  -0.00079   2.34366
   A108       1.91156   0.00001  -0.00130   0.00061  -0.00071   1.91085
   A109       1.74165   0.00003   0.00015  -0.00068  -0.00055   1.74111
   A110       2.46804  -0.00002  -0.00083  -0.00188  -0.00272   2.46532
   A111       2.30635  -0.00003  -0.00107  -0.00123  -0.00230   2.30405
   A112       0.71637  -0.00004  -0.00130   0.00006  -0.00122   0.71514
   A113       1.00952  -0.00008  -0.00207   0.00000  -0.00208   1.00745
   A114       0.69847   0.00000  -0.00087  -0.00010  -0.00091   0.69755
   A115       0.98775  -0.00002  -0.00147  -0.00009  -0.00151   0.98624
   A116       1.81870   0.00001  -0.00189  -0.00100  -0.00293   1.81577
   A117       1.43739   0.00001  -0.00150  -0.00120  -0.00274   1.43465
   A118       1.20950   0.00003  -0.00142  -0.00028  -0.00173   1.20777
   A119       0.93273   0.00004  -0.00135  -0.00008  -0.00144   0.93129
   A120       1.25356   0.00002  -0.00085  -0.00240  -0.00332   1.25024
   A121       1.84641  -0.00002   0.01108  -0.00235   0.00872   1.85513
   A122       1.89589   0.00000   0.01000  -0.00249   0.00748   1.90338
   A123       2.26240  -0.00002   0.00823  -0.00250   0.00572   2.26812
   A124       2.19786  -0.00004   0.00394  -0.00252   0.00142   2.19928
   A125       1.55947  -0.00001   0.00868  -0.00241   0.00624   1.56571
   A126       1.43875   0.00001   0.00769  -0.00429   0.00336   1.44211
   A127       0.65980  -0.00008  -0.00180  -0.00011  -0.00195   0.65785
   A128       0.66256  -0.00003  -0.00099   0.00014  -0.00085   0.66171
   A129       2.17915   0.00002  -0.00084  -0.00105  -0.00189   2.17726
   A130       1.80625   0.00002  -0.00070  -0.00140  -0.00210   1.80415
   A131       1.51303   0.00004   0.00035  -0.00061  -0.00026   1.51277
   A132       1.21792   0.00005   0.00044  -0.00056  -0.00010   1.21782
   A133       1.64878   0.00004  -0.00140  -0.00252  -0.00392   1.64486
   A134       1.70224  -0.00001   0.00798  -0.00088   0.00710   1.70934
   A135       1.90403  -0.00002   0.00686  -0.00091   0.00594   1.90997
   A136       2.33534  -0.00003   0.00643  -0.00091   0.00552   2.34086
   A137       2.42704  -0.00004   0.00299  -0.00142   0.00157   2.42861
   A138       1.67969   0.00000   0.00538  -0.00116   0.00421   1.68390
   A139       1.65621   0.00002   0.00464  -0.00355   0.00108   1.65728
   A140       0.70755  -0.00005  -0.00155   0.00078  -0.00081   0.70675
   A141       0.83201  -0.00004  -0.00144   0.00105  -0.00044   0.83157
   A142       2.51782  -0.00002  -0.00451  -0.00120  -0.00572   2.51211
   A143       2.13832  -0.00002  -0.00394  -0.00119  -0.00514   2.13318
   A144       1.91739  -0.00001  -0.00194  -0.00020  -0.00214   1.91525
   A145       1.62827   0.00000  -0.00155  -0.00008  -0.00161   1.62666
   A146       1.85622  -0.00001  -0.00483  -0.00223  -0.00706   1.84916
   A147       1.27741   0.00003   0.00858  -0.00119   0.00739   1.28480
   A148       1.52433   0.00001   0.00611  -0.00075   0.00535   1.52968
   A149       1.95483   0.00001   0.00627  -0.00071   0.00556   1.96039
   A150       2.14289  -0.00002   0.00285  -0.00071   0.00214   2.14503
   A151       1.39625   0.00002   0.00305  -0.00064   0.00239   1.39864
   A152       1.47379   0.00003   0.00148  -0.00281  -0.00135   1.47244
   A153       0.77131  -0.00006  -0.00181  -0.00051  -0.00238   0.76893
   A154       0.76739  -0.00003  -0.00123  -0.00041  -0.00171   0.76568
   A155       2.82773  -0.00007  -0.00446  -0.00097  -0.00539   2.82234
   A156       2.44576  -0.00007  -0.00408  -0.00110  -0.00516   2.44059
   A157       2.16980  -0.00004  -0.00099  -0.00088  -0.00185   2.16795
   A158       1.87379  -0.00003  -0.00093  -0.00086  -0.00177   1.87201
   A159       2.16859  -0.00006  -0.00605  -0.00136  -0.00739   2.16120
   A160       1.15387   0.00006   0.00534   0.00127   0.00659   1.16046
   A161       1.48670   0.00000   0.00288   0.00198   0.00484   1.49154
   A162       1.87997   0.00002   0.00429   0.00177   0.00606   1.88603
   A163       2.14606  -0.00001   0.00177   0.00201   0.00379   2.14984
   A164       1.48321   0.00001  -0.00052   0.00212   0.00159   1.48480
   A165       1.63579   0.00000  -0.00175  -0.00004  -0.00180   1.63399
   A166       2.15550   0.00003   0.00322  -0.00076   0.00247   2.15797
   A167       1.85671   0.00002   0.00277  -0.00153   0.00125   1.85797
   A168       1.46928   0.00004   0.00353  -0.00097   0.00258   1.47186
   A169       1.19038   0.00004   0.00314  -0.00108   0.00211   1.19249
   A170       1.86328   0.00004   0.00131  -0.00272  -0.00138   1.86190
   A171       1.92493  -0.00001   0.00364   0.00066   0.00434   1.92927
   A172       2.22757  -0.00005   0.00359   0.00037   0.00399   2.23157
   A173       2.64703  -0.00004   0.00322   0.00081   0.00407   2.65110
   A174       2.07464  -0.00001   0.00369  -0.00066   0.00305   2.07769
   A175       2.06591   0.00000   0.00417  -0.00354   0.00065   2.06656
   A176       2.26006   0.00001   0.00520  -0.00074   0.00449   2.26455
   A177       2.04155   0.00001   0.00403  -0.00174   0.00233   2.04388
   A178       1.62866   0.00002   0.00455  -0.00136   0.00324   1.63189
   A179       1.38070   0.00001   0.00367  -0.00149   0.00224   1.38294
   A180       2.12889   0.00002   0.00170  -0.00285  -0.00112   2.12777
   A181       1.87028   0.00002   0.00030   0.00218   0.00250   1.87278
   A182       2.24312  -0.00005  -0.00006   0.00219   0.00215   2.24528
   A183       2.57178  -0.00002  -0.00040   0.00288   0.00251   2.57429
   A184       2.22386  -0.00001   0.00055   0.00079   0.00136   2.22522
   A185       2.29026  -0.00001   0.00171  -0.00255  -0.00082   2.28944
   A186       0.69392  -0.00002  -0.00062  -0.00002  -0.00065   0.69327
   A187       0.98593  -0.00002  -0.00061  -0.00007  -0.00070   0.98523
   A188       0.69913   0.00000  -0.00034   0.00037   0.00003   0.69916
   A189       2.15256  -0.00004  -0.00543  -0.00156  -0.00700   2.14556
   A190       1.76779   0.00003  -0.00453  -0.00220  -0.00673   1.76106
   A191       1.43993   0.00001  -0.00527  -0.00152  -0.00680   1.43313
   A192       1.13354   0.00002  -0.00456  -0.00183  -0.00641   1.12713
   A193       1.64840  -0.00001  -0.00327  -0.00262  -0.00589   1.64251
   A194       1.42986  -0.00002  -0.00310  -0.00099  -0.00408   1.42577
   A195       0.66834  -0.00001  -0.00016  -0.00038  -0.00057   0.66777
   A196       2.27804  -0.00005  -0.00176  -0.00232  -0.00406   2.27398
   A197       1.87776   0.00003  -0.00156  -0.00244  -0.00400   1.87376
   A198       1.66491   0.00001  -0.00334  -0.00147  -0.00481   1.66011
   A199       1.34412   0.00000  -0.00325  -0.00158  -0.00485   1.33928
   A200       1.62315  -0.00002  -0.00040  -0.00267  -0.00307   1.62007
   A201       1.35290  -0.00001  -0.00041  -0.00167  -0.00207   1.35083
   A202       0.71191   0.00002   0.00009  -0.00041  -0.00033   0.71158
   A203       2.64955  -0.00006   0.00102  -0.00296  -0.00186   2.64768
   A204       2.26935   0.00002  -0.00027  -0.00279  -0.00304   2.26631
   A205       2.08060  -0.00001  -0.00385  -0.00173  -0.00558   2.07502
   A206       1.75977  -0.00001  -0.00367  -0.00186  -0.00554   1.75423
   A207       1.95351  -0.00002   0.00157  -0.00282  -0.00124   1.95227
   A208       1.66978  -0.00001   0.00150  -0.00234  -0.00083   1.66895
   A209       0.83069   0.00003   0.00027  -0.00083  -0.00058   0.83011
   A210       2.64002  -0.00002   0.00679  -0.00308   0.00375   2.64377
   A211       2.36813   0.00004   0.00337  -0.00294   0.00046   2.36859
   A212       2.30893   0.00000  -0.00185  -0.00196  -0.00378   2.30515
   A213       1.99426  -0.00001  -0.00252  -0.00194  -0.00446   1.98981
   A214       1.98589   0.00001   0.00420  -0.00272   0.00148   1.98738
   A215       1.71120   0.00001   0.00375  -0.00287   0.00088   1.71208
   A216       1.93769  -0.00008   0.00097  -0.00255  -0.00158   1.93611
   A217       1.56756   0.00000   0.00092  -0.00231  -0.00139   1.56617
   A218       1.49643  -0.00003  -0.00034  -0.00108  -0.00141   1.49501
   A219       1.20376  -0.00004  -0.00107  -0.00084  -0.00192   1.20185
   A220       1.24439  -0.00004   0.00102  -0.00250  -0.00148   1.24291
   A221       0.96244  -0.00004   0.00083  -0.00188  -0.00105   0.96139
   A222       0.72777  -0.00004  -0.00059   0.00041  -0.00019   0.72758
   A223       1.02040  -0.00005  -0.00108   0.00041  -0.00068   1.01972
   A224       0.69804  -0.00004   0.00018  -0.00025  -0.00007   0.69797
   A225       0.98209  -0.00004   0.00031  -0.00063  -0.00031   0.98178
   A226       0.65950   0.00000  -0.00088   0.00001  -0.00087   0.65862
   A227       0.66075   0.00003   0.00021   0.00010   0.00031   0.66107
   A228       0.70400  -0.00001  -0.00016  -0.00008  -0.00024   0.70376
   A229       0.84748  -0.00002  -0.00078   0.00145   0.00069   0.84817
   A230       0.75901  -0.00005  -0.00145  -0.00009  -0.00155   0.75746
   A231       0.77844  -0.00006  -0.00234   0.00193  -0.00040   0.77804
   A232       1.60121  -0.00009  -0.00531   0.00256  -0.00274   1.59847
   A233       1.84806   0.00010   0.00580   0.00020   0.00599   1.85406
   A234       2.19099   0.00000  -0.00033  -0.00002  -0.00035   2.19064
   A235       2.12932   0.00001  -0.00005  -0.00012  -0.00019   2.12914
   A236       1.96250   0.00000   0.00038   0.00016   0.00056   1.96305
   A237       2.12128   0.00008   0.00089  -0.00019   0.00072   2.12200
   A238       2.12560  -0.00001   0.00023   0.00016   0.00039   2.12599
   A239       2.03472  -0.00007  -0.00089   0.00003  -0.00087   2.03385
   A240       1.83351   0.00006  -0.00488   0.00487  -0.00001   1.83351
   A241       2.53972  -0.00006   0.00508  -0.00565  -0.00054   2.53918
   A242       1.91297   0.00000   0.00050  -0.00068  -0.00013   1.91284
   A243       1.91742   0.00005  -0.00060   0.00076   0.00022   1.91764
   A244       1.91742  -0.00001  -0.00035  -0.00047  -0.00094   1.91649
   A245       1.90807   0.00005   0.00103  -0.00042   0.00055   1.90862
   A246       1.90807   0.00000   0.00022   0.00052   0.00076   1.90884
   A247       1.89975  -0.00009  -0.00080   0.00030  -0.00045   1.89930
   A248       1.29847   0.00007  -0.00830  -0.00125  -0.00954   1.28893
   A249       1.90610   0.00002  -0.00075  -0.00113  -0.00186   1.90424
   A250       1.90796   0.00002   0.00073  -0.00015   0.00057   1.90853
   A251       1.92813  -0.00001  -0.00004  -0.00009  -0.00013   1.92800
   A252       1.90978   0.00004   0.00030   0.00075   0.00104   1.91082
   A253       1.89734  -0.00001   0.00040   0.00058   0.00096   1.89830
   A254       1.91439  -0.00005  -0.00063   0.00005  -0.00058   1.91381
   A255       1.72077   0.00011   0.00102   0.00101   0.00205   1.72282
   A256       1.76394   0.00001  -0.00233   0.00028  -0.00206   1.76188
   A257       2.19050   0.00004   0.00054  -0.00044   0.00016   2.19066
   A258       2.13079  -0.00006  -0.00067   0.00025  -0.00043   2.13037
   A259       1.96166   0.00002   0.00013   0.00020   0.00027   1.96193
   A260       2.12463  -0.00003   0.00072  -0.00122  -0.00051   2.12412
   A261       2.12398   0.00000  -0.00016  -0.00025  -0.00032   2.12366
   A262       2.03393   0.00003  -0.00047   0.00150   0.00094   2.03487
   A263       1.36474   0.00000   0.00102  -0.00889  -0.00790   1.35685
   A264       1.90152   0.00001  -0.00056  -0.00027  -0.00089   1.90063
   A265       1.93005  -0.00004   0.00020   0.00056   0.00079   1.93084
   A266       1.90857   0.00004   0.00071  -0.00048   0.00016   1.90873
   A267       1.89578   0.00001   0.00020   0.00040   0.00061   1.89640
   A268       1.91516  -0.00001   0.00001  -0.00078  -0.00069   1.91447
   A269       1.91266  -0.00002  -0.00056   0.00055   0.00000   1.91266
   A270       2.68244  -0.00001  -0.00197   0.00002  -0.00193   2.68052
   A271       1.68113  -0.00001   0.00139   0.00038   0.00175   1.68288
   A272       1.92406  -0.00002   0.00076  -0.00039   0.00038   1.92444
   A273       1.91237   0.00002  -0.00058   0.00011  -0.00049   1.91189
   A274       1.91539   0.00000   0.00012  -0.00042  -0.00032   1.91506
   A275       1.89398   0.00001  -0.00073   0.00092   0.00020   1.89417
   A276       1.91076   0.00002   0.00015  -0.00012   0.00003   1.91079
   A277       1.90707  -0.00003   0.00028  -0.00008   0.00021   1.90728
   A278       1.82722  -0.00019  -0.00334  -0.00313  -0.00647   1.82074
   A279       1.72708   0.00027   0.00808   0.00259   0.01067   1.73775
   A280       2.19089  -0.00009  -0.00021   0.00023   0.00001   2.19090
   A281       2.13146  -0.00003  -0.00048  -0.00005  -0.00051   2.13095
   A282       1.96070   0.00013   0.00072  -0.00018   0.00053   1.96124
   A283       2.12403  -0.00004  -0.00102   0.00043  -0.00060   2.12343
   A284       2.11615  -0.00005  -0.00045   0.00080   0.00036   2.11651
   A285       2.04082   0.00009   0.00107  -0.00122  -0.00014   2.04069
   A286       2.71908   0.00003   0.00171   0.00027   0.00197   2.72105
   A287       1.63839  -0.00005  -0.00145   0.00028  -0.00117   1.63722
   A288       1.92510   0.00003   0.00149  -0.00010   0.00142   1.92652
   A289       1.91481   0.00001  -0.00013  -0.00042  -0.00057   1.91424
   A290       1.91208   0.00000  -0.00032   0.00018  -0.00013   1.91194
   A291       1.89031   0.00002   0.00048  -0.00034   0.00012   1.89044
   A292       1.91291   0.00001  -0.00015  -0.00018  -0.00034   1.91257
   A293       1.90844  -0.00008  -0.00138   0.00087  -0.00050   1.90793
   A294       1.35024   0.00005   0.00764   0.00003   0.00767   1.35791
   A295       1.15390   0.00004  -0.00385   0.00001  -0.00385   1.15005
   A296       1.93570  -0.00004  -0.00128  -0.00044  -0.00173   1.93398
   A297       1.90703   0.00008   0.00040   0.00015   0.00055   1.90758
   A298       1.89954   0.00000   0.00142   0.00020   0.00165   1.90119
   A299       1.91020  -0.00006  -0.00026  -0.00014  -0.00040   1.90980
   A300       1.89940   0.00000  -0.00100  -0.00014  -0.00115   1.89825
   A301       1.91182   0.00003   0.00074   0.00039   0.00111   1.91293
   A302       1.62841   0.00003   0.00794  -0.00524   0.00270   1.63110
   A303       1.81834  -0.00001  -0.00661   0.00552  -0.00110   1.81723
   A304       2.18854  -0.00004   0.00008  -0.00023  -0.00015   2.18840
   A305       2.13069  -0.00001   0.00004   0.00054   0.00054   2.13123
   A306       1.96356   0.00005  -0.00010  -0.00029  -0.00036   1.96320
   A307       2.12413   0.00014   0.00052   0.00041   0.00091   2.12504
   A308       2.12336   0.00002   0.00103  -0.00098   0.00005   2.12340
   A309       2.03182  -0.00016  -0.00136   0.00060  -0.00074   2.03108
   A310       1.30338   0.00000  -0.00176  -0.00053  -0.00229   1.30109
   A311       3.04858  -0.00012   0.00012   0.00265   0.00277   3.05135
   A312       1.91165  -0.00008   0.00031   0.00077   0.00110   1.91274
   A313       1.92786   0.00004   0.00112  -0.00080   0.00034   1.92821
   A314       1.90384  -0.00003  -0.00226   0.00070  -0.00159   1.90226
   A315       1.91002   0.00009   0.00143  -0.00152  -0.00010   1.90992
   A316       1.91147   0.00008   0.00086   0.00040   0.00127   1.91274
   A317       1.89887  -0.00011  -0.00149   0.00046  -0.00104   1.89784
   A318       1.77540   0.00001  -0.00133   0.00471   0.00338   1.77878
   A319       1.91591  -0.00007   0.00042  -0.00054  -0.00012   1.91579
   A320       1.91304   0.00002  -0.00031   0.00014  -0.00016   1.91288
   A321       1.92224  -0.00003  -0.00049  -0.00022  -0.00072   1.92152
   A322       1.90686   0.00003   0.00069  -0.00128  -0.00059   1.90627
   A323       1.90984   0.00003  -0.00006   0.00119   0.00113   1.91097
   A324       1.89575   0.00002  -0.00024   0.00071   0.00047   1.89622
   A325       2.92389   0.00003   0.00477   0.00224   0.00705   2.93094
   A326       3.38018   0.00003  -0.00113   0.00325   0.00209   3.38226
   A327       3.09425   0.00005   0.00006   0.00331   0.00335   3.09760
   A328       3.21286   0.00002  -0.00893  -0.00120  -0.01012   3.20274
   A329       3.27740  -0.00002   0.00046  -0.00834  -0.00789   3.26951
   A330       3.26044  -0.00001   0.00738  -0.00011   0.00727   3.26771
   A331       3.68524   0.00004  -0.00140   0.00590   0.00451   3.68975
   A332       3.26949  -0.00003  -0.01317   0.00356  -0.00960   3.25988
   A333       2.94468  -0.00006   0.00201   0.00244   0.00449   2.94917
   A334       2.88993  -0.00004  -0.00074   0.00218   0.00147   2.89140
   A335       3.23274  -0.00001  -0.00358  -0.00228  -0.00586   3.22689
   A336       3.07216   0.00002   0.00213   0.00203   0.00418   3.07634
   A337       3.10518   0.00004  -0.00157  -0.00018  -0.00176   3.10342
   A338       3.05294   0.00005  -0.00080   0.00035  -0.00045   3.05249
    D1        2.75862  -0.00001   0.00021   0.00037   0.00057   2.75920
    D2       -1.35950  -0.00001  -0.00048   0.00122   0.00075  -1.35876
    D3        2.78357  -0.00001  -0.00226   0.00249   0.00023   2.78380
    D4       -1.33456  -0.00002  -0.00295   0.00334   0.00040  -1.33416
    D5        1.65745   0.00004   0.00187  -0.00104   0.00083   1.65827
    D6       -2.46068   0.00003   0.00119  -0.00018   0.00100  -2.45968
    D7        1.83356   0.00002   0.00438  -0.00043   0.00394   1.83750
    D8       -2.28457   0.00002   0.00369   0.00042   0.00411  -2.28046
    D9        0.24178  -0.00004   0.01619   0.00095   0.01722   0.25900
   D10        2.40684  -0.00005   0.01551   0.00181   0.01739   2.42423
   D11       -0.01965  -0.00003   0.01103  -0.00005   0.01098  -0.00867
   D12        2.14541  -0.00004   0.01034   0.00080   0.01115   2.15656
   D13       -0.48591   0.00002   0.01091  -0.00107   0.00983  -0.47608
   D14        1.67914   0.00002   0.01023  -0.00021   0.01000   1.68915
   D15       -0.58992   0.00003   0.00789  -0.00030   0.00759  -0.58232
   D16        1.57514   0.00002   0.00721   0.00055   0.00777   1.58291
   D17        0.18526  -0.00004   0.00633  -0.00077   0.00556   0.19082
   D18        2.35031  -0.00004   0.00565   0.00008   0.00574   2.35605
   D19        0.13051  -0.00002   0.00358  -0.00104   0.00254   0.13305
   D20        2.29556  -0.00002   0.00290  -0.00018   0.00271   2.29828
   D21        2.37607  -0.00001   0.00899  -0.00173   0.00726   2.38333
   D22       -1.74206  -0.00001   0.00831  -0.00087   0.00744  -1.73463
   D23        2.14003  -0.00002   0.00789  -0.00303   0.00486   2.14489
   D24       -1.97810  -0.00002   0.00721  -0.00218   0.00503  -1.97307
   D25        1.68952   0.00000   0.00923  -0.00204   0.00721   1.69673
   D26       -2.42861   0.00000   0.00855  -0.00118   0.00738  -2.42123
   D27        1.38052   0.00000   0.00960  -0.00174   0.00788   1.38839
   D28       -2.73761  -0.00001   0.00891  -0.00089   0.00805  -2.72956
   D29        2.36667   0.00002   0.00498  -0.00601  -0.00102   2.36565
   D30       -1.75146   0.00002   0.00429  -0.00516  -0.00085  -1.75231
   D31       -1.74292  -0.00003   0.00294  -0.00213   0.00078  -1.74214
   D32        0.42213  -0.00004   0.00226  -0.00128   0.00095   0.42309
   D33       -2.09424   0.00003   0.00357  -0.00294   0.00061  -2.09362
   D34        0.07082   0.00002   0.00289  -0.00208   0.00079   0.07161
   D35       -2.47047   0.00001   0.00351  -0.00251   0.00098  -2.46949
   D36       -0.30542   0.00000   0.00283  -0.00165   0.00115  -0.30426
   D37       -2.75943   0.00002   0.00432  -0.00322   0.00108  -2.75835
   D38       -0.59437   0.00002   0.00364  -0.00236   0.00125  -0.59312
   D39       -2.11827   0.00000   0.00354  -0.00380  -0.00027  -2.11854
   D40        0.04679   0.00000   0.00286  -0.00294  -0.00010   0.04669
   D41       -2.36077   0.00000   0.00283  -0.00304  -0.00022  -2.36099
   D42       -0.19572   0.00000   0.00214  -0.00218  -0.00005  -0.19576
   D43        1.26308   0.00000   0.00231  -0.00221   0.00011   1.26319
   D44       -1.95900   0.00000   0.01254  -0.00751   0.00504  -1.95396
   D45        2.45083   0.00001   0.00446  -0.00388   0.00057   2.45140
   D46       -0.77125   0.00001   0.01469  -0.00918   0.00550  -0.76575
   D47        2.93178   0.00001   0.00656  -0.00403   0.00252   2.93430
   D48       -0.29031   0.00001   0.01679  -0.00932   0.00745  -0.28286
   D49        2.87681  -0.00002   0.00550  -0.00067   0.00470   2.88151
   D50       -0.34528  -0.00002   0.01573  -0.00597   0.00963  -0.33565
   D51        1.98139  -0.00005   0.01900  -0.00163   0.01762   1.99901
   D52       -1.24070  -0.00005   0.02923  -0.00693   0.02255  -1.21815
   D53        1.06415   0.00005   0.02179  -0.00567   0.01597   1.08012
   D54       -2.15793   0.00005   0.03202  -0.01097   0.02090  -2.13703
   D55        0.97761   0.00003   0.01122  -0.00351   0.00767   0.98529
   D56       -2.24447   0.00003   0.02145  -0.00881   0.01260  -2.23187
   D57        2.00572  -0.00003   0.00801  -0.00313   0.00490   2.01061
   D58       -1.21636  -0.00003   0.01823  -0.00843   0.00982  -1.20654
   D59        1.81919  -0.00001   0.00542  -0.00344   0.00198   1.82117
   D60       -1.40289  -0.00001   0.01565  -0.00874   0.00691  -1.39598
   D61       -2.30274   0.00000   0.01150  -0.00477   0.00673  -2.29601
   D62        0.75836   0.00000   0.02173  -0.01006   0.01166   0.77002
   D63       -2.42208   0.00000   0.00783  -0.00558   0.00226  -2.41982
   D64        0.63903   0.00000   0.01806  -0.01088   0.00719   0.64621
   D65       -2.82330   0.00001   0.00699  -0.00545   0.00154  -2.82176
   D66        0.23780   0.00001   0.01722  -0.01075   0.00647   0.24427
   D67       -2.98929   0.00000   0.00545  -0.00540   0.00006  -2.98923
   D68        0.07181   0.00000   0.01568  -0.01070   0.00499   0.07680
   D69       -2.13411   0.00003   0.00494  -0.00632  -0.00138  -2.13550
   D70        0.92699   0.00003   0.01517  -0.01162   0.00355   0.93054
   D71       -0.14984  -0.00005   0.00565  -0.00803  -0.00239  -0.15223
   D72        2.91127  -0.00005   0.01588  -0.01333   0.00254   2.91380
   D73       -0.54986   0.00004   0.00597  -0.00824  -0.00227  -0.55213
   D74        2.51125   0.00003   0.01620  -0.01354   0.00266   2.51391
   D75       -0.71758   0.00001   0.00552  -0.00709  -0.00157  -0.71915
   D76        2.34352   0.00001   0.01575  -0.01239   0.00336   2.34689
   D77       -1.05641   0.00001   0.00576  -0.00699  -0.00125  -1.05766
   D78        2.00469   0.00000   0.01598  -0.01229   0.00368   2.00837
   D79       -0.83380  -0.00002   0.00567  -0.00887  -0.00321  -0.83701
   D80        2.22730  -0.00002   0.01590  -0.01417   0.00172   2.22902
   D81       -1.13738  -0.00001   0.00524  -0.00843  -0.00320  -1.14058
   D82        1.92372  -0.00001   0.01547  -0.01373   0.00173   1.92545
   D83       -1.52505   0.00003  -0.00494  -0.00106  -0.00599  -1.53104
   D84       -2.60446  -0.00001  -0.00406  -0.00174  -0.00581  -2.61027
   D85       -2.93891  -0.00004  -0.00673   0.00051  -0.00625  -2.94516
   D86        0.72829  -0.00003   0.00025  -0.00026   0.00004   0.72832
   D87        0.29685  -0.00004   0.00155  -0.00013   0.00144   0.29829
   D88       -0.10773   0.00002   0.00758   0.00031   0.00793  -0.09980
   D89       -0.43469   0.00005   0.00566   0.00010   0.00574  -0.42894
   D90        0.18941  -0.00004  -0.00260  -0.00088  -0.00348   0.18592
   D91       -0.04263  -0.00002  -0.00394  -0.00102  -0.00496  -0.04759
   D92        2.38915  -0.00002   0.00241  -0.00144   0.00097   2.39012
   D93        2.04837  -0.00002   0.00105  -0.00234  -0.00129   2.04708
   D94        1.64792   0.00000   0.00241  -0.00198   0.00045   1.64837
   D95        1.36726   0.00000   0.00100  -0.00222  -0.00120   1.36607
   D96        2.06566   0.00001  -0.00239  -0.00389  -0.00627   2.05938
   D97       -1.86864  -0.00007  -0.00316  -0.00419  -0.00736  -1.87600
   D98       -2.40980   0.00002  -0.00202  -0.00714  -0.00918  -2.41899
   D99       -2.63172  -0.00001  -0.00299  -0.00504  -0.00803  -2.63976
   D100      -2.96228  -0.00003  -0.00339  -0.00499  -0.00840  -2.97068
   D101      -2.87562  -0.00006  -0.00175  -0.01188  -0.01367  -2.88929
   D102       2.86696  -0.00002  -0.00202  -0.01185  -0.01388   2.85308
   D103      -2.82243   0.00003  -0.01548  -0.00217  -0.01771  -2.84014
   D104       1.27497   0.00004  -0.01436  -0.00287  -0.01730   1.25767
   D105       2.86656   0.00002  -0.01310  -0.00169  -0.01489   2.85167
   D106       0.68078   0.00004  -0.01198  -0.00239  -0.01447   0.66630
   D107       2.32125   0.00000  -0.00663  -0.00345  -0.00993   2.31132
   D108       0.13546   0.00002  -0.00551  -0.00416  -0.00951   0.12595
   D109       1.70058  -0.00004   0.00803  -0.00426   0.00421   1.70479
   D110      -0.48520  -0.00002   0.00914  -0.00497   0.00462  -0.48058
   D111       2.62432  -0.00002  -0.00783  -0.00103  -0.00887   2.61545
   D112       0.43854   0.00000  -0.00671  -0.00173  -0.00845   0.43008
   D113       2.28045  -0.00002  -0.00712  -0.00096  -0.00806   2.27240
   D114       0.09467   0.00000  -0.00600  -0.00166  -0.00764   0.08703
   D115      -1.61075  -0.00003  -0.00107   0.00187   0.00071  -1.61004
   D116       2.48666  -0.00002   0.00005   0.00116   0.00112   2.48778
   D117      -1.76859  -0.00001  -0.00080  -0.00028  -0.00116  -1.76975
   D118       2.32881   0.00001   0.00032  -0.00099  -0.00075   2.32806
   D119      -2.73495   0.00001  -0.00003   0.00052   0.00050  -2.73445
   D120       1.36245   0.00003   0.00109  -0.00019   0.00091   1.36336
   D121      -2.69119   0.00000  -0.00043   0.00019  -0.00022  -2.69141
   D122       1.40621   0.00001   0.00068  -0.00051   0.00019   1.40640
   D123       1.35383  -0.00002  -0.00829   0.00043  -0.00787   1.34596
   D124      -0.83196   0.00000  -0.00717  -0.00028  -0.00746  -0.83941
   D125       1.33099  -0.00002  -0.00865   0.00140  -0.00725   1.32374
   D126      -0.85479   0.00000  -0.00753   0.00069  -0.00683  -0.86163
   D127       1.69201  -0.00002  -0.00874   0.00174  -0.00699   1.68502
   D128      -0.49378  -0.00001  -0.00762   0.00103  -0.00657  -0.50035
   D129       1.81240  -0.00001  -0.00843   0.00228  -0.00614   1.80626
   D130      -0.37338   0.00001  -0.00731   0.00157  -0.00573  -0.37911
   D131       0.93633  -0.00004  -0.00910   0.00167  -0.00744   0.92889
   D132      -1.24945  -0.00002  -0.00798   0.00097  -0.00703  -1.25648
   D133      -0.93864   0.00003  -0.00718   0.00426  -0.00286  -0.94149
   D134      -3.12442   0.00005  -0.00606   0.00356  -0.00244  -3.12687
   D135      -0.51995  -0.00005  -0.00606   0.00424  -0.00182  -0.52177
   D136      -2.70573  -0.00004  -0.00494   0.00354  -0.00141  -2.70714
   D137      -0.25179  -0.00004  -0.00184   0.00399   0.00206  -0.24973
   D138      -2.43757  -0.00002  -0.00072   0.00329   0.00247  -2.43510
   D139       0.14704  -0.00005  -0.00119   0.00336   0.00206   0.14910
   D140      -2.03874  -0.00003  -0.00007   0.00265   0.00247  -2.03627
   D141      -0.29415   0.00000  -0.00705   0.00374  -0.00334  -0.29749
   D142      -2.47993   0.00002  -0.00593   0.00304  -0.00293  -2.48286
   D143      -0.03620   0.00000  -0.00749   0.00249  -0.00506  -0.04126
   D144      -2.22198   0.00002  -0.00638   0.00179  -0.00465  -2.22663
   D145      -2.41492  -0.00002  -0.00956   0.00095  -0.00858  -2.42350
   D146      -2.64109  -0.00001  -0.01487   0.00098  -0.01385  -2.65494
   D147      -2.27938  -0.00004  -0.02263   0.00350  -0.01895  -2.29833
   D148       3.07745  -0.00002  -0.01403   0.00018  -0.01387   3.06358
   D149       2.69475  -0.00002  -0.01469  -0.00020  -0.01495   2.67980
   D150       1.50780  -0.00002   0.00121   0.00336   0.00449   1.51229
   D151       2.61023   0.00004   0.00177   0.00260   0.00440   2.61463
   D152       2.99052   0.00001   0.00128   0.00203   0.00335   2.99386
   D153       1.21120   0.00002  -0.00927   0.00133  -0.00789   1.20331
   D154       1.27228   0.00001  -0.00708   0.00302  -0.00403   1.26825
   D155       1.66808   0.00000  -0.00659   0.00320  -0.00338   1.66470
   D156       1.73325   0.00001  -0.00486   0.00367  -0.00120   1.73205
   D157       0.91992  -0.00003  -0.00557   0.00413  -0.00141   0.91851
   D158      -0.95754   0.00005  -0.00943   0.00660  -0.00284  -0.96038
   D159      -0.63385  -0.00003  -0.00850   0.00664  -0.00186  -0.63572
   D160      -0.68595   0.00001  -0.00503   0.00648   0.00143  -0.68452
   D161      -0.39215   0.00003  -0.00173   0.00654   0.00478  -0.38737
   D162      -0.24909   0.00001  -0.00932   0.00640  -0.00294  -0.25203
   D163       0.02680   0.00000  -0.00883   0.00668  -0.00218   0.02463
   D164      -1.23278   0.00002  -0.00614  -0.00429  -0.01042  -1.24320
   D165       1.71400   0.00002  -0.01039  -0.00131  -0.01170   1.70230
   D166      -1.60318   0.00002  -0.00677  -0.00407  -0.01083  -1.61401
   D167       1.34360   0.00002  -0.01102  -0.00110  -0.01211   1.33148
   D168      -1.67703   0.00002  -0.00855  -0.00424  -0.01280  -1.68982
   D169       1.26975   0.00002  -0.01280  -0.00126  -0.01408   1.25567
   D170      -1.94061  -0.00001  -0.01087  -0.00246  -0.01341  -1.95402
   D171       1.00617  -0.00001  -0.01513   0.00052  -0.01469   0.99148
   D172      -1.95588  -0.00001  -0.00603  -0.00414  -0.01016  -1.96604
   D173       0.99090  -0.00001  -0.01029  -0.00117  -0.01144   0.97946
   D174      -2.26020   0.00000  -0.00582  -0.00396  -0.00976  -2.26996
   D175       0.68657   0.00000  -0.01008  -0.00098  -0.01104   0.67554
   D176       1.96992   0.00001   0.00493  -0.00240   0.00251   1.97243
   D177      -1.36649   0.00001   0.00067   0.00058   0.00124  -1.36526
   D178       0.82377   0.00004   0.00531  -0.00198   0.00332   0.82709
   D179      -2.51263   0.00004   0.00106   0.00100   0.00204  -2.51060
   D180       0.36156   0.00008   0.00568  -0.00313   0.00252   0.36408
   D181      -2.97484   0.00008   0.00142  -0.00016   0.00124  -2.97360
   D182      -3.07952  -0.00001  -0.00455  -0.00330  -0.00786  -3.08738
   D183      -0.13274  -0.00001  -0.00881  -0.00032  -0.00914  -0.14188
   D184       2.93944  -0.00001  -0.00366  -0.00233  -0.00600   2.93344
   D185      -0.39697  -0.00001  -0.00791   0.00065  -0.00728  -0.40425
   D186       3.09485   0.00000  -0.00231  -0.00166  -0.00400   3.09085
   D187      -0.24156   0.00000  -0.00656   0.00131  -0.00528  -0.24684
   D188       2.99227   0.00003  -0.00107  -0.00132  -0.00243   2.98984
   D189      -0.34414   0.00003  -0.00533   0.00166  -0.00371  -0.34784
   D190       2.49507  -0.00003  -0.00400  -0.00219  -0.00620   2.48887
   D191      -0.84134  -0.00003  -0.00825   0.00079  -0.00748  -0.84881
   D192       0.38823   0.00005  -0.00813   0.00217  -0.00592   0.38231
   D193      -2.94818   0.00005  -0.01238   0.00514  -0.00720  -2.95538
   D194       0.69437  -0.00005  -0.00822   0.00310  -0.00507   0.68930
   D195      -2.64203  -0.00005  -0.01247   0.00608  -0.00635  -2.64839
   D196       0.51830   0.00000  -0.00988   0.00531  -0.00442   0.51388
   D197      -2.81811   0.00000  -0.01414   0.00829  -0.00570  -2.82381
   D198       1.14237   0.00000  -0.00654   0.00219  -0.00436   1.13801
   D199      -2.19404   0.00000  -0.01080   0.00516  -0.00563  -2.19967
   D200       1.46613  -0.00001  -0.00564   0.00126  -0.00440   1.46174
   D201      -1.87028   0.00000  -0.00990   0.00424  -0.00567  -1.87595
   D202       1.59019   0.00003   0.00338   0.00234   0.00571   1.59590
   D203      -0.62138   0.00003   0.00163   0.00247   0.00410  -0.61728
   D204       1.65292   0.00002   0.00630   0.00185   0.00813   1.66105
   D205      -0.55865   0.00001   0.00455   0.00197   0.00652  -0.55213
   D206       1.32314   0.00002   0.00926   0.00058   0.00982   1.33295
   D207      -0.88843   0.00001   0.00752   0.00070   0.00820  -0.88023
   D208       1.15039   0.00001   0.01384  -0.00216   0.01157   1.16196
   D209      -1.06118   0.00000   0.01209  -0.00203   0.00995  -1.05123
   D210       2.08034   0.00002   0.00747   0.00201   0.00948   2.08982
   D211      -0.13123   0.00001   0.00573   0.00214   0.00787  -0.12336
   D212       2.19383   0.00001   0.00765   0.00126   0.00891   2.20275
   D213      -0.01774   0.00000   0.00591   0.00139   0.00730  -0.01044
   D214      -2.20261   0.00003  -0.00218   0.00106  -0.00108  -2.20369
   D215       1.86901   0.00002  -0.00393   0.00119  -0.00270   1.86631
   D216      -2.38276   0.00002   0.00172   0.00138   0.00310  -2.37965
   D217       1.68886   0.00001  -0.00002   0.00151   0.00149   1.69035
   D218      -2.00333  -0.00001   0.00430   0.00237   0.00664  -1.99668
   D219       2.06829  -0.00002   0.00256   0.00250   0.00503   2.07332
   D220      -2.15000   0.00004   0.01705  -0.00104   0.01608  -2.13392
   D221       1.92161   0.00003   0.01530  -0.00092   0.01447   1.93608
   D222      -2.87903   0.00003   0.00174   0.00162   0.00333  -2.87569
   D223       1.19259   0.00002   0.00000   0.00174   0.00172   1.19431
   D224       3.06526   0.00005   0.00248   0.00184   0.00430   3.06955
   D225       0.85369   0.00004   0.00073   0.00197   0.00268   0.85637
   D226      -2.70928   0.00002  -0.00160  -0.00096  -0.00255  -2.71183
   D227       1.36234   0.00001  -0.00334  -0.00083  -0.00416   1.35818
   D228      -2.64318  -0.00001  -0.00177  -0.00070  -0.00245  -2.64563
   D229       1.42843  -0.00002  -0.00351  -0.00057  -0.00406   1.42437
   D230      -1.56085   0.00007  -0.00070  -0.00196  -0.00265  -1.56350
   D231       2.51077   0.00006  -0.00244  -0.00183  -0.00427   2.50651
   D232      -0.10537  -0.00002   0.00760  -0.00412   0.00351  -0.10186
   D233      -2.31694  -0.00003   0.00586  -0.00400   0.00190  -2.31504
   D234      -0.23500   0.00004   0.00639  -0.00274   0.00367  -0.23133
   D235      -2.44656   0.00003   0.00465  -0.00261   0.00205  -2.44451
   D236       0.05005   0.00001   0.00515  -0.00189   0.00327   0.05332
   D237      -2.16151   0.00000   0.00340  -0.00176   0.00165  -2.15986
   D238      -0.04966  -0.00002   0.00304  -0.00132   0.00172  -0.04794
   D239      -2.26123  -0.00003   0.00130  -0.00119   0.00010  -2.26112
   D240      -0.62386   0.00002   0.00582  -0.00217   0.00366  -0.62020
   D241      -2.83542   0.00001   0.00408  -0.00204   0.00204  -2.83338
   D242      -0.80577   0.00003   0.00537  -0.00352   0.00185  -0.80392
   D243      -3.01734   0.00002   0.00363  -0.00339   0.00024  -3.01710
   D244      -2.94066   0.00002   0.00225  -0.00127   0.00097  -2.93969
   D245      -0.04227   0.00002   0.00270   0.00213   0.00483  -0.03744
   D246      -3.13870   0.00000   0.00486  -0.00169   0.00317  -3.13553
   D247      -0.24031   0.00000   0.00531   0.00171   0.00702  -0.23329
   D248       2.75513   0.00000   0.00626  -0.00274   0.00350   2.75863
   D249      -0.62966   0.00000   0.00671   0.00067   0.00735  -0.62231
   D250       2.51734  -0.00001   0.00767  -0.00411   0.00351   2.52085
   D251      -0.86745  -0.00001   0.00812  -0.00070   0.00736  -0.86009
   D252      -2.91808   0.00000   0.00749  -0.00196   0.00553  -2.91255
   D253      -0.01970   0.00000   0.00794   0.00144   0.00939  -0.01031
   D254      -3.09136   0.00000   0.00686  -0.00314   0.00373  -3.08763
   D255      -0.19297   0.00000   0.00731   0.00027   0.00759  -0.18539
   D256      -0.62832   0.00000  -0.00084  -0.00125  -0.00202  -0.63034
   D257       2.27007   0.00000  -0.00039   0.00216   0.00184   2.27190
   D258      -0.88847  -0.00001   0.00203  -0.00148   0.00056  -0.88791
   D259       2.00992  -0.00001   0.00248   0.00192   0.00441   2.01433
   D260      -0.74059  -0.00001   0.00471  -0.00116   0.00355  -0.73704
   D261       2.15780  -0.00001   0.00516   0.00224   0.00741   2.16521
   D262      -0.95561   0.00004   0.00795  -0.00313   0.00482  -0.95079
   D263       1.94278   0.00004   0.00840   0.00028   0.00867   1.95145
   D264      -1.29735   0.00001   0.00234  -0.00152   0.00080  -1.29655
   D265       1.60104   0.00001   0.00279   0.00189   0.00466   1.60570
   D266      -1.54124   0.00002   0.00379  -0.00176   0.00203  -1.53921
   D267       1.35715   0.00002   0.00424   0.00165   0.00588   1.36304
   D268       1.98633   0.00000  -0.00079  -0.00358  -0.00437   1.98195
   D269      -1.39847   0.00000  -0.00034  -0.00018  -0.00052  -1.39899
   D270       0.86989  -0.00001  -0.00058  -0.00455  -0.00514   0.86475
   D271      -2.51491  -0.00001  -0.00013  -0.00115  -0.00128  -2.51619
   D272       0.85317   0.00003   0.01999  -0.00530   0.01468   0.86786
   D273      -2.53162   0.00003   0.02044  -0.00189   0.01854  -2.51308
   D274       1.07136   0.00001   0.01142  -0.00403   0.00739   1.07876
   D275      -2.31343   0.00001   0.01187  -0.00063   0.01125  -2.30218
   D276       1.54879  -0.00001   0.00832  -0.00412   0.00423   1.55302
   D277      -1.83601  -0.00001   0.00877  -0.00071   0.00809  -1.82792
   D278       1.54456  -0.00004   0.00470  -0.00333   0.00138   1.54595
   D279      -1.84023  -0.00004   0.00515   0.00007   0.00524  -1.83499
   D280       0.77654   0.00001   0.00794  -0.00292   0.00501   0.78155
   D281      -2.60826   0.00001   0.00839   0.00048   0.00887  -2.59939
   D282       0.76254   0.00002   0.00667  -0.00500   0.00166   0.76420
   D283      -2.62226   0.00002   0.00711  -0.00159   0.00552  -2.61674
   D284       1.54311  -0.00001   0.00268   0.00672   0.00938   1.55249
   D285      -2.67528  -0.00002   0.00068   0.00716   0.00782  -2.66747
   D286       1.60764  -0.00001   0.00408   0.00430   0.00837   1.61600
   D287      -2.61075  -0.00002   0.00207   0.00474   0.00680  -2.60395
   D288       1.29340   0.00000   0.00595   0.00255   0.00849   1.30189
   D289      -2.92499  -0.00001   0.00394   0.00299   0.00692  -2.91807
   D290       1.20425   0.00001   0.00855  -0.00018   0.00835   1.21260
   D291      -3.01414   0.00000   0.00654   0.00026   0.00678  -3.00735
   D292       2.00589   0.00000   0.00457   0.00356   0.00813   2.01402
   D293      -2.21250  -0.00001   0.00256   0.00400   0.00656  -2.20593
   D294       1.99246   0.00000   0.00319   0.00211   0.00530   1.99775
   D295      -2.22593  -0.00001   0.00118   0.00255   0.00373  -2.22220
   D296      -2.26994   0.00001  -0.00561   0.00247  -0.00311  -2.27305
   D297      -0.20514   0.00000  -0.00762   0.00291  -0.00468  -0.20982
   D298      -2.25997   0.00002  -0.00215   0.00210  -0.00004  -2.26001
   D299      -0.19517   0.00001  -0.00416   0.00254  -0.00160  -0.19678
   D300      -1.87657  -0.00001  -0.00193   0.00235   0.00043  -1.87614
   D301       0.18823  -0.00002  -0.00393   0.00279  -0.00114   0.18709
   D302      -1.82194   0.00000   0.00026   0.00001   0.00028  -1.82166
   D303       0.24286  -0.00001  -0.00175   0.00045  -0.00128   0.24157
   D304      -2.61613   0.00004   0.00023   0.00210   0.00232  -2.61381
   D305      -0.55133   0.00003  -0.00178   0.00254   0.00075  -0.55058
   D306      -2.74749   0.00005   0.00285   0.00198   0.00482  -2.74267
   D307      -0.68270   0.00004   0.00084   0.00242   0.00325  -0.67944
   D308       1.52872   0.00004  -0.00349   0.00016  -0.00332   1.52539
   D309      -2.68967   0.00003  -0.00549   0.00060  -0.00489  -2.69456
   D310       2.63259  -0.00001  -0.00437   0.00018  -0.00421   2.62838
   D311      -1.58580  -0.00002  -0.00638   0.00062  -0.00577  -1.59157
   D312       3.02384  -0.00004  -0.00458   0.00066  -0.00394   3.01990
   D313      -1.19455  -0.00005  -0.00658   0.00110  -0.00550  -1.20005
   D314      -0.51746   0.00001   0.00605  -0.00024   0.00583  -0.51163
   D315       1.54734   0.00000   0.00404   0.00020   0.00426   1.55160
   D316      -0.35515   0.00000   0.00478   0.00094   0.00572  -0.34943
   D317       1.70964  -0.00001   0.00277   0.00138   0.00416   1.71380
   D318       0.07289  -0.00001   0.00434   0.00122   0.00557   0.07847
   D319       2.13769  -0.00002   0.00233   0.00166   0.00401   2.14170
   D320       0.20823  -0.00003   0.00238   0.00210   0.00449   0.21272
   D321       2.27303  -0.00004   0.00037   0.00254   0.00292   2.27595
   D322      -0.60042   0.00001   0.00405   0.00159   0.00565  -0.59477
   D323       1.46437   0.00000   0.00204   0.00203   0.00408   1.46846
   D324      -0.63930   0.00002   0.00452  -0.00056   0.00396  -0.63535
   D325       1.42549   0.00001   0.00251  -0.00012   0.00239   1.42789
   D326       0.09675  -0.00003  -0.00307   0.00223  -0.00086   0.09589
   D327       2.26589  -0.00002  -0.00194   0.00233   0.00037   2.26627
   D328       0.39744   0.00001  -0.00351   0.00302  -0.00050   0.39694
   D329       2.56659   0.00001  -0.00237   0.00311   0.00074   2.56732
   D330       0.77083   0.00001  -0.00429   0.00374  -0.00054   0.77029
   D331       2.93998   0.00002  -0.00316   0.00384   0.00070   2.94067
   D332       1.05121   0.00003  -0.00434   0.00398  -0.00030   1.05091
   D333      -3.06283   0.00003  -0.00321   0.00408   0.00094  -3.06189
   D334       0.32265   0.00005  -0.00414   0.00422   0.00009   0.32274
   D335       2.49180   0.00005  -0.00300   0.00432   0.00132   2.49312
   D336       0.70549   0.00008  -0.00295   0.00780   0.00487   0.71036
   D337       2.87464   0.00008  -0.00182   0.00789   0.00610   2.88074
   D338      -2.32224   0.00000  -0.00279   0.00067  -0.00219  -2.32443
   D339      -0.15309   0.00000  -0.00166   0.00076  -0.00096  -0.15405
   D340      -1.94590   0.00002  -0.00371   0.00098  -0.00276  -1.94866
   D341       0.22325   0.00002  -0.00258   0.00107  -0.00153   0.22172
   D342      -1.88095   0.00002  -0.00826   0.00229  -0.00600  -1.88696
   D343       0.28819   0.00002  -0.00713   0.00239  -0.00477   0.28343
   D344      -1.57009  -0.00004  -0.01154   0.00402  -0.00754  -1.57763
   D345       0.59906  -0.00003  -0.01040   0.00412  -0.00631   0.59275
   D346      -1.59042  -0.00001  -0.00102   0.00001  -0.00103  -1.59145
   D347       0.57873  -0.00001   0.00011   0.00010   0.00020   0.57893
   D348      -1.28837  -0.00003  -0.00220   0.00044  -0.00176  -1.29013
   D349       0.88078  -0.00003  -0.00107   0.00053  -0.00053   0.88026
   D350       1.87668   0.00003  -0.00643   0.00528  -0.00120   1.87548
   D351      -2.23736   0.00003  -0.00530   0.00538   0.00004  -2.23732
   D352       2.33022   0.00002  -0.00975   0.00511  -0.00468   2.32554
   D353      -1.78382   0.00002  -0.00862   0.00521  -0.00345  -1.78727
   D354       2.64279  -0.00003  -0.01999   0.00505  -0.01495   2.62784
   D355      -1.47125  -0.00003  -0.01886   0.00515  -0.01372  -1.48497
   D356      -3.01155  -0.00009  -0.01523   0.00137  -0.01365  -3.02520
   D357      -0.84240  -0.00008  -0.01410   0.00147  -0.01242  -0.85482
   D358       2.63109   0.00000  -0.00561   0.00455  -0.00108   2.63001
   D359      -1.48295   0.00000  -0.00448   0.00464   0.00015  -1.48280
   D360       1.64386  -0.00003  -0.00269   0.00206  -0.00066   1.64320
   D361      -2.47018  -0.00003  -0.00156   0.00215   0.00058  -2.46961
   D362       1.81746   0.00003  -0.00150   0.00237   0.00086   1.81832
   D363      -2.29658   0.00003  -0.00037   0.00246   0.00209  -2.29449
   D364       2.75352   0.00000  -0.00263   0.00177  -0.00086   2.75265
   D365      -1.36052   0.00001  -0.00150   0.00187   0.00037  -1.36015
   D366       2.75130  -0.00001  -0.00406   0.00476   0.00070   2.75200
   D367      -1.36274  -0.00001  -0.00292   0.00486   0.00194  -1.36080
   D368       0.06167  -0.00002  -0.00344   0.00289  -0.00056   0.06112
   D369      -2.39994  -0.00002   0.00087   0.00309   0.00394  -2.39600
   D370       0.46163   0.00000  -0.00340   0.00273  -0.00067   0.46096
   D371      -1.99998   0.00000   0.00091   0.00293   0.00383  -1.99615
   D372       0.68001   0.00002  -0.00313   0.00200  -0.00112   0.67889
   D373      -1.78160   0.00002   0.00118   0.00219   0.00338  -1.77822
   D374       0.95174   0.00003  -0.00204   0.00048  -0.00149   0.95025
   D375      -1.50987   0.00004   0.00226   0.00067   0.00301  -1.50686
   D376       0.69839   0.00002  -0.00388   0.00424   0.00036   0.69875
   D377      -1.76322   0.00002   0.00042   0.00443   0.00486  -1.75836
   D378       1.04062   0.00002  -0.00366   0.00424   0.00057   1.04119
   D379      -1.42099   0.00002   0.00065   0.00443   0.00507  -1.41592
   D380      -2.69482   0.00004  -0.01095  -0.00091  -0.01177  -2.70659
   D381       1.12676   0.00004  -0.00665  -0.00072  -0.00727   1.11948
   D382      -2.17120   0.00004  -0.00745  -0.00229  -0.00972  -2.18092
   D383       1.65038   0.00005  -0.00314  -0.00210  -0.00523   1.64515
   D384      -1.93000   0.00000  -0.01001  -0.00068  -0.01067  -1.94067
   D385       1.89157   0.00000  -0.00570  -0.00048  -0.00617   1.88540
   D386      -1.60310  -0.00005  -0.01083   0.00062  -0.01020  -1.61329
   D387       2.21848  -0.00005  -0.00653   0.00081  -0.00570   2.21278
   D388      -1.71757   0.00001   0.00058  -0.00553  -0.00509  -1.72266
   D389       2.10400   0.00001   0.00488  -0.00534  -0.00059   2.10341
   D390      -1.15667  -0.00005  -0.00132  -0.00270  -0.00403  -1.16070
   D391       2.66491  -0.00005   0.00298  -0.00250   0.00047   2.66538
   D392       1.80361   0.00001  -0.00432   0.00175  -0.00258   1.80103
   D393      -0.65800   0.00001  -0.00002   0.00194   0.00192  -0.65608
   D394       2.11301   0.00001  -0.00616   0.00189  -0.00428   2.10873
   D395      -0.34860   0.00002  -0.00186   0.00208   0.00022  -0.34838
   D396       2.08046   0.00001  -0.00988   0.00212  -0.00778   2.07268
   D397      -0.38115   0.00001  -0.00557   0.00232  -0.00328  -0.38443
   D398       2.31410  -0.00002  -0.01346   0.00211  -0.01137   2.30273
   D399      -0.14751  -0.00002  -0.00915   0.00231  -0.00687  -0.15438
   D400       2.50440   0.00002  -0.00487   0.00219  -0.00268   2.50172
   D401       0.04279   0.00002  -0.00056   0.00238   0.00182   0.04461
   D402      -1.53366  -0.00004  -0.00203  -0.00119  -0.00322  -1.53688
   D403       2.28792  -0.00004   0.00228  -0.00100   0.00128   2.28920
   D404      -2.62935  -0.00002  -0.00287  -0.00052  -0.00339  -2.63274
   D405       1.19222  -0.00002   0.00144  -0.00033   0.00111   1.19333
   D406      -2.98163  -0.00002  -0.00379   0.00165  -0.00214  -2.98377
   D407       0.83994  -0.00002   0.00051   0.00185   0.00236   0.84230
   D408       1.91543  -0.00002   0.00127  -0.00094   0.00032   1.91574
   D409       2.41105   0.00001   0.00077   0.00102   0.00179   2.41284
   D410       2.64815   0.00002   0.00134  -0.00034   0.00101   2.64915
   D411       2.88132   0.00003   0.00333  -0.00258   0.00079   2.88210
   D412       2.83288   0.00005  -0.00038   0.00680   0.00646   2.83934
   D413      -2.93970   0.00002  -0.00083   0.00349   0.00263  -2.93707
   D414      -0.71451   0.00002  -0.00431  -0.00348  -0.00782  -0.72232
   D415      -0.33720   0.00003  -0.00357  -0.00404  -0.00761  -0.34481
   D416      -0.01302  -0.00001  -0.00732  -0.00291  -0.01025  -0.02327
   D417       0.29373  -0.00005  -0.00729  -0.00316  -0.01044   0.28329
   D418      -0.22126   0.00003   0.00074  -0.00579  -0.00505  -0.22631
   D419       0.07819  -0.00001   0.00249  -0.00683  -0.00434   0.07386
   D420      -2.53307   0.00001  -0.00300  -0.00226  -0.00528  -2.53836
   D421      -2.15110   0.00001  -0.00324  -0.00220  -0.00544  -2.15655
   D422      -1.88940  -0.00001  -0.00626  -0.00262  -0.00889  -1.89829
   D423      -1.56985  -0.00002  -0.00623  -0.00303  -0.00925  -1.57910
   D424      -1.95374   0.00000  -0.00038  -0.00152  -0.00191  -1.95564
   D425       1.30850   0.00001   0.00246  -0.00404  -0.00156   1.30694
   D426       2.47750  -0.00002   0.00144  -0.00307  -0.00164   2.47586
   D427       2.95350   0.00001   0.00202  -0.00284  -0.00081   2.95269
   D428      -3.06333   0.00015  -0.00030   0.00151   0.00122  -3.06211
   D429       0.01569   0.00016   0.00455   0.00156   0.00613   0.02182
   D430       0.04936   0.00009  -0.00017   0.00227   0.00210   0.05146
   D431       3.12838   0.00010   0.00468   0.00233   0.00701   3.13539
   D432      -0.10815  -0.00004   0.01073  -0.00639   0.00432  -0.10383
   D433       1.98873   0.00005   0.01194  -0.00686   0.00505   1.99378
   D434      -2.20504  -0.00003   0.01036  -0.00631   0.00405  -2.20099
   D435       3.09291  -0.00005   0.00609  -0.00644  -0.00037   3.09253
   D436      -1.09339   0.00004   0.00730  -0.00691   0.00035  -1.09304
   D437       0.99602  -0.00004   0.00572  -0.00636  -0.00065   0.99537
   D438      -2.35297  -0.00002  -0.00842  -0.00607  -0.01451  -2.36748
   D439      -0.26399   0.00005  -0.00808  -0.00593  -0.01401  -0.27801
   D440       1.84423  -0.00001  -0.00841  -0.00602  -0.01444   1.82978
   D441       0.72899  -0.00001  -0.00375  -0.00603  -0.00978   0.71921
   D442       2.81797   0.00006  -0.00341  -0.00589  -0.00929   2.80868
   D443      -1.35699   0.00000  -0.00374  -0.00597  -0.00972  -1.36671
   D444       0.00493   0.00007  -0.00155   0.00145  -0.00011   0.00482
   D445       3.10669   0.00011   0.00132   0.00214   0.00343   3.11012
   D446      -3.11396  -0.00004  -0.00142   0.00138  -0.00005  -3.11400
   D447      -0.01219   0.00001   0.00145   0.00207   0.00350  -0.00870
   D448       2.40425   0.00006   0.00164   0.00916   0.01080   2.41505
   D449      -1.79657   0.00006   0.00166   0.00983   0.01147  -1.78509
   D450       0.31111   0.00004   0.00155   0.01056   0.01208   0.32319
   D451      -0.69947   0.00001  -0.00109   0.00854   0.00746  -0.69202
   D452       1.38290   0.00001  -0.00108   0.00921   0.00813   1.39103
   D453      -2.79261  -0.00001  -0.00119   0.00994   0.00874  -2.78387
   D454       2.04955  -0.00001   0.00376  -0.00255   0.00123   2.05077
   D455      -2.15037   0.00000   0.00296  -0.00159   0.00140  -2.14897
   D456      -0.05635  -0.00002   0.00301  -0.00188   0.00115  -0.05520
   D457      -1.12990   0.00003   0.00651  -0.00195   0.00456  -1.12534
   D458       0.95336   0.00004   0.00571  -0.00099   0.00474   0.95810
   D459       3.04738   0.00002   0.00576  -0.00128   0.00449   3.05187
   D460      -3.07673  -0.00015  -0.00235  -0.00224  -0.00458  -3.08131
   D461      -0.00824  -0.00017  -0.00859  -0.00206  -0.01065  -0.01889
   D462       0.08194  -0.00020  -0.00441  -0.00223  -0.00663   0.07530
   D463      -3.13276  -0.00022  -0.01065  -0.00204  -0.01270   3.13773
   D464       1.92226  -0.00006  -0.00605  -0.00028  -0.00632   1.91594
   D465      -2.28001  -0.00001  -0.00462  -0.00102  -0.00565  -2.28566
   D466      -0.18485  -0.00010  -0.00660  -0.00010  -0.00671  -0.19156
   D467      -1.14924  -0.00004   0.00000  -0.00053  -0.00053  -1.14977
   D468       0.93168   0.00001   0.00142  -0.00127   0.00014   0.93182
   D469       3.02683  -0.00008  -0.00056  -0.00035  -0.00092   3.02592
   D470      -1.63506   0.00001  -0.00405  -0.00170  -0.00575  -1.64081
   D471       0.47213  -0.00004  -0.00492  -0.00206  -0.00699   0.46515
   D472       2.55911   0.00005  -0.00294  -0.00139  -0.00433   2.55479
   D473       1.43678  -0.00001  -0.01009  -0.00147  -0.01156   1.42522
   D474      -2.73921  -0.00006  -0.01097  -0.00182  -0.01280  -2.75201
   D475      -0.65223   0.00003  -0.00898  -0.00115  -0.01014  -0.66237
   D476       0.01327  -0.00006  -0.00588   0.00477  -0.00112   0.01215
   D477      -3.03040  -0.00007  -0.00812   0.00434  -0.00378  -3.03418
   D478       3.12511   0.00002  -0.00524   0.00535   0.00011   3.12521
   D479       0.08144   0.00001  -0.00748   0.00493  -0.00255   0.07888
   D480      -0.29202   0.00000  -0.00646   0.00086  -0.00561  -0.29763
   D481       1.81299   0.00009  -0.00377  -0.00104  -0.00481   1.80818
   D482      -2.38391  -0.00004  -0.00632  -0.00052  -0.00686  -2.39077
   D483       2.75653   0.00001  -0.00421   0.00117  -0.00305   2.75348
   D484      -1.42166   0.00010  -0.00152  -0.00072  -0.00225  -1.42390
   D485       0.66463  -0.00003  -0.00407  -0.00020  -0.00430   0.66033
   D486      -0.08517  -0.00002   0.00319  -0.00551  -0.00232  -0.08749
   D487       2.00933  -0.00001   0.00411  -0.00733  -0.00322   2.00611
   D488      -2.18911   0.00000   0.00331  -0.00650  -0.00319  -2.19230
   D489      -3.13375  -0.00004   0.00097  -0.00591  -0.00493  -3.13869
   D490      -1.03925  -0.00003   0.00189  -0.00773  -0.00583  -1.04509
   D491       1.04549  -0.00002   0.00110  -0.00690  -0.00580   1.03969
         Item               Value     Threshold  Converged?
 Maximum Force            0.000523     0.000450     NO 
 RMS     Force            0.000046     0.000300     YES
 Maximum Displacement     0.046321     0.001800     NO 
 RMS     Displacement     0.006802     0.001200     NO 
 Predicted change in Energy=-1.945307D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:03:54 2016, MaxMem=  2952790016 cpu:        10.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.793548   -0.586140    1.652687
      2          6           0       -2.066459    1.130344   -1.368441
      3          8           0       -2.606122    0.152581   -1.914912
      4          7           0       -0.773469    1.187027   -0.948277
      5          1           0       -2.625400    2.061476   -1.146339
      6          6           0       -0.252392    2.348613   -0.225491
      7          1           0       -1.016120    3.138200   -0.197300
      8          1           0        0.013310    2.060724    0.804114
      9          1           0        0.648981    2.729945   -0.731864
     10          6           0        0.148422    0.062820   -1.132014
     11          1           0        0.718459   -0.091420   -0.202619
     12          1           0       -0.425361   -0.843948   -1.364414
     13          1           0        0.855644    0.274128   -1.950883
     14          6           0       -2.057663   -3.959124    2.684690
     15          8           0       -2.207138   -3.771684    3.904182
     16          7           0       -2.970669   -3.659525    1.721044
     17          1           0       -1.123205   -4.381534    2.264641
     18          6           0       -4.266805   -3.057291    2.048190
     19          1           0       -4.494550   -2.275340    1.305934
     20          1           0       -5.066494   -3.816052    2.017913
     21          1           0       -4.218963   -2.613089    3.050317
     22          6           0       -2.690685   -3.880826    0.301478
     23          1           0       -3.396023   -4.617794   -0.116407
     24          1           0       -2.807060   -2.932742   -0.249657
     25          1           0       -1.662030   -4.247749    0.179110
     26          6           0        1.600094    0.358620    2.580833
     27          8           0        1.456564    1.383080    3.269114
     28          7           0        1.206505   -0.894786    2.936531
     29          1           0        2.065276    0.385177    1.575594
     30          6           0        1.484601   -2.056760    2.090403
     31          1           0        2.243266   -2.703215    2.562829
     32          1           0        0.563002   -2.646336    1.954838
     33          1           0        1.847560   -1.719045    1.109838
     34          6           0        0.571452   -1.153677    4.231132
     35          1           0        1.320073   -1.464169    4.979836
     36          1           0        0.066455   -0.242222    4.576144
     37          1           0       -0.165317   -1.960969    4.111908
     38          6           0       -4.604717    1.031042    2.883568
     39          8           0       -4.845383    1.595716    1.803101
     40          7           0       -3.546608    1.303126    3.697396
     41          1           0       -5.239630    0.210408    3.273801
     42          6           0       -2.564177    2.339076    3.365163
     43          1           0       -2.643716    2.593855    2.300518
     44          1           0       -2.736446    3.243027    3.972492
     45          1           0       -1.554226    1.956705    3.578763
     46          6           0       -3.266122    0.499004    4.887323
     47          1           0       -4.065040   -0.240977    5.032470
     48          1           0       -2.303374   -0.025734    4.761077
     49          1           0       -3.199981    1.147588    5.775543
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485400   0.000000
     3  O    3.732794   1.243337   0.000000
     4  N    3.309032   1.360726   2.315833   0.000000
     5  H    3.941623   1.108490   2.057901   2.057556   0.000000
     6  C    3.809920   2.466039   3.635484   1.463974   2.561557
     7  H    4.230550   2.550739   3.793708   2.104738   2.156337
     8  H    3.315222   3.148181   4.230312   2.110270   3.281320
     9  H    4.759039   3.215209   4.317188   2.109691   3.367524
    10  C    3.456437   2.470062   2.865049   1.465430   3.418906
    11  H    3.161817   3.256934   3.747576   2.101495   4.087415
    12  H    3.322845   2.567304   2.460049   2.102191   3.650920
    13  H    4.554557   3.100166   3.464086   2.119578   3.994943
    14  C    3.537203   6.506199   6.193809   6.428878   7.158682
    15  O    3.922752   7.200710   7.030001   7.084531   7.727125
    16  N    3.291805   5.771079   5.280646   5.953321   6.408661
    17  H    3.902418   6.668569   6.342390   6.438481   7.443370
    18  C    3.518524   5.835339   5.363519   6.260707   6.253079
    19  H    3.204535   4.964533   4.453629   5.560206   5.321215
    20  H    4.612798   6.703316   6.104965   7.229049   7.107515
    21  H    3.456086   6.178348   5.907935   6.503927   6.480966
    22  C    3.672271   5.318845   4.603033   5.560642   6.116485
    23  H    4.685280   6.031287   5.158977   6.423842   6.802004
    24  H    3.186324   4.278883   3.511790   4.647156   5.077327
    25  H    3.949190   5.610914   4.963783   5.621150   6.518528
    26  C    3.642915   5.443889   6.160068   4.332975   5.886113
    27  O    4.129636   5.829450   6.700275   4.774712   6.051353
    28  N    3.277779   5.774619   6.258563   4.831767   6.331888
    29  H    3.979940   5.127753   5.836069   3.882185   5.676384
    30  C    3.619472   5.893323   6.136592   4.985440   6.657963
    31  H    4.648250   6.980314   7.191822   6.046696   7.756552
    32  H    3.144683   5.676404   5.731689   4.990882   6.476627
    33  H    3.851730   5.438789   5.699770   4.421638   6.276148
    34  C    3.544531   6.597768   7.041104   5.840717   7.033794
    35  H    4.640635   7.648576   8.097311   6.823070   8.094872
    36  H    3.482025   6.463076   7.030815   5.767794   6.730521
    37  H    3.254083   6.573034   6.837191   5.990425   7.062664
    38  C    3.468864   4.952999   5.271763   5.420870   4.606478
    39  O    3.754573   4.242366   4.573899   4.931287   3.720813
    40  N    3.289891   5.280473   5.805710   5.411659   4.988535
    41  H    3.890756   5.697869   5.819060   6.223047   5.458781
    42  C    3.476109   4.910780   5.715043   4.810365   4.520449
    43  H    3.354824   3.992036   4.871456   4.003955   3.487777
    44  H    4.575268   5.782550   6.650517   5.682815   5.254601
    45  H    3.198923   5.041834   5.877229   4.657905   4.846130
    46  C    3.716031   6.400966   6.842954   6.382861   6.265534
    47  H    4.086777   6.844451   7.109813   6.974451   6.749187
    48  H    3.199386   6.242086   6.685230   6.033914   6.273572
    49  H    4.688476   7.233372   7.777262   7.148375   7.005553
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098874   0.000000
     8  H    1.101620   1.795415   0.000000
     9  H    1.101954   1.795827   1.791972   0.000000
    10  C    2.491442   3.418744   2.785402   2.743034   0.000000
    11  H    2.626183   3.665957   2.478400   2.871416   1.101139
    12  H    3.394040   4.191498   3.651309   3.785108   1.097936
    13  H    2.916883   3.844667   3.389905   2.749501   1.102433
    14  C    7.177444   7.730633   6.638077   7.983885   5.967418
    15  O    7.637622   8.123250   6.968342   8.480656   6.753915
    16  N    6.875736   7.328668   6.516605   7.742348   5.632453
    17  H    7.228690   7.913219   6.702797   7.917880   5.736427
    18  C    7.106964   7.348013   6.786840   8.086147   6.272402
    19  H    6.459265   6.607995   6.274876   7.460658   5.741757
    20  H    8.137047   8.347115   7.862202   9.114715   7.222399
    21  H    7.147244   7.340473   6.693436   8.157806   6.612597
    22  C    6.710356   7.233234   6.547232   7.478200   5.066338
    23  H    7.643634   8.113318   7.554701   8.410120   5.958414
    24  H    5.866824   6.329814   5.830920   6.651524   4.299631
    25  H    6.757423   7.423687   6.556998   7.406677   4.855696
    26  C    3.907330   4.721087   2.927758   4.183510   3.997509
    27  O    4.008124   4.605502   2.935713   4.298146   4.777474
    28  N    4.758823   5.570093   3.834834   5.187160   4.311567
    29  H    3.531370   4.496364   2.759203   3.581646   3.333074
    30  C    5.271416   6.202806   4.557731   5.619253   4.081907
    31  H    6.286812   7.236300   5.546250   6.551028   5.068647
    32  H    5.510736   6.370729   4.876755   6.010837   4.127961
    33  H    4.768516   5.788100   4.212433   4.962053   3.329866
    34  C    5.727674   6.368014   4.731632   6.302369   5.515628
    35  H    6.641189   7.310427   5.618643   7.117898   6.407743
    36  H    5.465327   5.948529   4.419796   6.111307   5.716891
    37  H    6.114990   6.730131   5.210318   6.791898   5.629642
    38  C    5.508627   5.177827   5.168225   6.599922   6.297197
    39  O    5.077165   4.587386   4.982078   6.156343   5.991892
    40  N    5.228188   4.993949   4.649522   6.265551   6.206030
    41  H    6.456741   6.201495   6.092323   7.554414   6.961616
    42  C    4.270508   3.965630   3.644159   5.221379   5.723997
    43  H    3.487019   3.030590   3.095681   4.478361   5.097495
    44  H    4.959191   4.511949   4.358627   5.818534   6.670246
    45  H    4.039891   3.993012   3.188521   4.902400   5.355114
    46  C    6.216469   6.154775   5.465001   7.202804   6.934103
    47  H    6.992025   6.932910   6.309498   8.017226   7.473046
    48  H    5.891512   6.021047   5.037647   6.817813   6.383391
    49  H    6.792875   6.663831   5.989504   7.724293   7.752604
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795658   0.000000
    13  H    1.791333   1.798614   0.000000
    14  C    5.567992   5.363206   6.920716   0.000000
    15  O    6.242537   6.285258   7.747968   1.242834   0.000000
    16  N    5.481014   4.891433   6.602828   1.360865   2.315525
    17  H    5.280547   5.115813   6.584958   1.108190   2.057893
    18  C    6.222170   5.594770   7.302768   2.469563   2.863092
    19  H    5.849846   5.073257   6.762486   3.267187   3.771232
    20  H    7.229753   6.466348   8.219041   3.085146   3.425770
    21  H    6.427950   6.083677   7.687630   2.572296   2.473634
    22  C    5.122107   4.138783   5.908741   2.467093   3.636648
    23  H    6.117553   4.962285   6.735939   3.173516   4.277206
    24  H    4.528201   3.358308   5.156896   3.197726   4.279966
    25  H    4.804947   3.936709   5.596688   2.552990   3.794725
    26  C    2.954220   4.594954   4.593233   5.659760   5.771108
    27  O    3.843420   5.474566   5.370219   6.421097   6.355912
    28  N    3.276865   4.600402   5.037487   4.484238   4.567916
    29  H    2.281031   4.044461   3.729823   6.091114   6.399636
    30  C    3.115683   4.129724   4.707506   4.064456   4.456422
    31  H    4.098074   5.099184   5.582442   4.482203   4.769376
    32  H    3.347593   3.904215   4.885632   3.020593   3.569317
    33  H    2.376252   3.471870   3.784791   4.769578   5.335003
    34  C    4.561594   5.692073   6.351118   4.144184   3.831634
    35  H    5.394832   6.609139   7.160463   4.785561   4.350043
    36  H    4.825394   5.991176   6.594810   4.680260   4.251807
    37  H    4.784497   5.595128   6.541823   3.100088   2.736946
    38  C    6.254652   6.247236   7.332147   5.606138   5.464084
    39  O    6.150258   5.960009   6.952747   6.277327   6.339075
    40  N    5.945222   6.322502   7.234757   5.561816   5.252679
    41  H    6.904739   6.767709   8.028309   5.277969   5.044843
    42  C    5.423290   6.088930   6.649777   6.355071   6.144869
    43  H    4.978014   5.492842   5.975037   6.590340   6.578938
    44  H    6.362898   7.108238   7.536833   7.347800   7.034985
    45  H    4.864028   5.792495   6.262230   6.004153   5.774655
    46  C    6.490993   6.996975   7.987526   5.117311   4.508525
    47  H    7.092981   7.384508   8.558369   4.833865   4.146170
    48  H    5.811546   6.458951   7.424266   4.454584   3.843914
    49  H    7.254497   7.914778   8.769759   6.077562   5.356021
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056677   0.000000
    18  C    1.466178   3.417996   0.000000
    19  H    2.100118   4.089149   1.101935   0.000000
    20  H    2.122526   3.991263   1.102786   1.791041   0.000000
    21  H    2.102435   3.650808   1.097207   1.798026   1.797579
    22  C    1.463739   2.561584   2.492663   2.615424   2.931691
    23  H    2.115521   3.300139   2.806940   2.952440   2.826408
    24  H    2.106809   3.355006   2.725156   2.387397   3.320716
    25  H    2.106205   2.158164   3.419869   3.630881   3.893319
    26  C    6.146268   5.475893   6.809748   6.760754   7.885948
    27  O    6.886566   6.394916   7.346054   7.256299   8.434855
    28  N    5.154608   4.246928   5.951698   6.088251   6.980557
    29  H    6.460767   5.776048   7.222824   7.083952   8.289036
    30  C    4.749180   3.497940   5.837938   6.034353   6.783599
    31  H    5.367332   3.773433   6.539973   6.867388   7.414036
    32  H    3.683483   2.439300   4.848158   5.112489   5.750082
    33  H    5.230140   4.153054   6.329050   6.369480   7.281908
    34  C    5.012628   4.142223   5.638946   5.956449   6.616118
    35  H    5.818057   4.674709   6.507365   6.925705   7.422438
    36  H    5.390147   4.887969   5.752592   5.969138   6.757513
    37  H    4.058488   3.192034   4.720494   5.168614   5.643376
    38  C    5.101274   6.465290   4.186467   3.665137   4.945394
    39  O    5.580219   7.056568   4.695243   3.918589   5.420542
    40  N    5.372670   6.343582   4.717182   4.407165   5.597920
    41  H    4.747170   6.248943   3.623033   3.256776   4.221328
    42  C    6.233104   6.960902   5.809832   5.409215   6.779549
    43  H    6.288677   7.139279   5.885027   5.303192   6.858326
    44  H    7.264235   7.978298   6.763058   6.376037   7.686359
    45  H    6.082720   6.487371   5.902619   5.632182   6.935201
    46  C    5.235073   5.940557   4.659322   4.693866   5.485852
    47  H    4.883611   5.784417   4.108316   4.267339   4.782429
    48  H    4.784509   5.157324   4.517207   4.669047   5.433811
    49  H    6.292844   6.870998   5.719465   5.776655   6.499337
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391004   0.000000
    23  H    3.837214   1.102384   0.000000
    24  H    3.603537   1.102795   1.789981   0.000000
    25  H    4.177780   1.098971   1.797497   1.795599   0.000000
    26  C    6.550793   6.448190   7.549900   6.186093   6.134196
    27  O    6.944699   7.329069   8.427327   7.013313   7.140027
    28  N    5.692207   5.572077   6.660667   5.514868   5.203290
    29  H    7.117307   6.514701   7.597261   6.170882   6.107944
    30  C    5.810471   4.894945   5.937120   4.966042   4.284245
    31  H    6.481216   5.553769   6.530352   5.785201   4.828979
    32  H    4.905952   3.852797   4.883706   4.037220   3.266267
    33  H    6.431755   5.091406   6.115683   4.998677   4.424682
    34  C    5.145122   5.789738   6.829499   5.887010   5.566022
    35  H    5.976954   6.619173   7.626179   6.821842   6.299859
    36  H    5.129714   6.254121   7.290708   6.227708   6.194014
    37  H    4.240787   4.958096   5.947674   5.190992   4.789197
    38  C    3.668283   5.870022   6.509235   5.362859   6.621112
    39  O    4.434185   6.073723   6.662797   5.373594   6.849611
    40  N    4.025856   6.256055   7.044506   5.836843   6.836825
    41  H    3.010622   5.663040   6.180933   5.311455   6.500115
    42  C    5.230812   6.934649   7.823768   6.396717   7.372317
    43  H    5.491436   6.776420   7.642995   6.088789   7.229911
    44  H    6.110840   8.014221   8.885193   7.481421   8.464977
    45  H    5.316305   6.790355   7.763411   6.335069   7.075628
    46  C    3.737329   6.367419   7.157920   6.194852   6.875467
    47  H    3.095083   6.125328   6.790806   6.060444   6.736748
    48  H    3.645626   5.907604   6.787544   5.814797   6.263478
    49  H    4.754773   7.450484   8.245795   7.287422   7.924330
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242518   0.000000
    28  N    1.361051   2.315559   0.000000
    29  H    1.107973   2.057754   2.056196   0.000000
    30  C    2.467372   3.636296   1.464054   2.562278   0.000000
    31  H    3.128710   4.220846   2.117768   3.247226   1.103024
    32  H    3.239937   4.331508   2.108494   3.404515   1.102416
    33  H    2.557686   3.799807   2.104083   2.166121   1.098771
    34  C    2.463460   2.853776   1.465029   3.413424   2.496422
    35  H    3.025920   3.324459   2.124192   3.945158   2.954159
    36  H    2.587340   2.506459   2.100925   3.659538   3.388598
    37  H    3.292622   3.810966   2.097654   4.112522   2.611109
    38  C    6.248478   6.083725   6.122248   6.827645   6.873385
    39  O    6.609043   6.473712   6.641732   7.019570   7.313810
    40  N    5.350453   5.022106   5.291674   6.069424   6.259738
    41  H    6.876336   6.798102   6.548882   7.501740   7.194148
    42  C    4.677449   4.133946   4.985943   5.334052   6.110728
    43  H    4.804662   4.383658   5.234437   5.251512   6.222168
    44  H    5.390928   4.640634   5.808750   6.080211   7.031874
    45  H    3.674164   3.080550   4.020585   4.425289   5.249533
    46  C    5.386990   5.069906   5.074705   6.277285   6.076517
    47  H    6.201918   6.019560   5.710483   7.065609   6.538451
    48  H    4.487567   4.283439   4.050120   5.422292   5.060270
    49  H    5.819739   5.293492   5.625691   6.778183   6.767083
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787785   0.000000
    33  H    1.798988   1.795545   0.000000
    34  C    2.824759   2.722061   3.419148   0.000000
    35  H    2.868700   3.334859   3.914089   1.103357   0.000000
    36  H    3.853365   3.591318   4.167568   1.097636   1.796574
    37  H    2.958352   2.377631   3.622517   1.099438   1.790668
    38  C    7.806562   6.410223   7.234706   5.777685   6.761919
    39  O    8.325078   6.875220   7.500916   6.541910   7.580725
    40  N    7.131665   5.960172   6.702687   4.824849   5.743445
    41  H    8.061538   6.600847   7.657270   6.045319   6.981724
    42  C    7.012841   6.051661   6.404550   4.772986   5.670912
    43  H    7.211820   6.153222   6.339589   5.301752   6.273590
    44  H    7.883050   7.045700   7.336898   5.508184   6.295061
    45  H    6.096550   5.320505   5.583805   3.823424   4.682626
    46  C    6.783128   5.758022   6.733415   4.229529   4.989568
    47  H    7.208083   6.056100   7.247797   4.792934   5.522537
    48  H    5.716042   4.791518   5.781791   3.133325   3.904654
    49  H    7.401293   6.568994   7.447419   4.680249   5.280654
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795361   0.000000
    38  C    5.128924   5.492651   0.000000
    39  O    5.932448   6.315347   1.242653   0.000000
    40  N    4.026726   4.717972   1.362329   2.315335   0.000000
    41  H    5.482290   5.582647   1.108529   2.058511   2.059075
    42  C    3.879407   4.980215   2.471172   2.862957   1.465859
    43  H    4.535067   5.492724   2.574462   2.468003   2.105342
    44  H    4.513050   5.806179   3.093391   3.444924   2.120202
    45  H    2.908034   4.190642   3.262766   3.756994   2.100196
    46  C    3.428165   4.033327   2.467779   3.634455   1.463287
    47  H    4.156620   4.360464   2.554811   3.796208   2.106050
    48  H    2.386872   2.955984   3.152458   4.223805   2.107822
    49  H    3.746963   4.651880   3.217201   4.323015   2.112590
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420179   0.000000
    43  H    3.656073   1.097592   0.000000
    44  H    3.993855   1.102567   1.795974   0.000000
    45  H    4.089592   1.100833   1.796346   1.790891   0.000000
    46  C    2.565438   2.489088   3.386347   2.940601   2.601501
    47  H    2.162481   3.418944   4.185689   3.876468   3.639678
    48  H    3.299901   2.758427   3.610046   3.390312   2.426758
    49  H    3.361128   2.762937   3.804854   2.802985   2.861646
                   46         47         48         49
    46  C    0.000000
    47  H    1.098595   0.000000
    48  H    1.103708   1.795397   0.000000
    49  H    1.101802   1.796830   1.791571   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2157785      0.1958704      0.1839948
 Leave Link  202 at Mon Nov 14 05:03:54 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1850.6574550544 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1850024255 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1850.4724526289 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4041
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.20D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     223
 GePol: Fraction of low-weight points (<1% of avg)   =       5.52%
 GePol: Cavity surface area                          =    468.526 Ang**2
 GePol: Cavity volume                                =    458.689 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040379342 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1850.4684146948 Hartrees.
 Leave Link  301 at Mon Nov 14 05:03:54 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11991 LenP2D=   37513.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:03:55 2016, MaxMem=  2952790016 cpu:        13.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:03:55 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.003877    0.004650    0.001452
         Rot=    1.000000   -0.000164    0.000170   -0.000245 Ang=  -0.04 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50871064495    
 Leave Link  401 at Mon Nov 14 05:04:02 2016, MaxMem=  2952790016 cpu:        79.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    48989043.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.33D-15 for   2405.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.15D-14 for   1822   1013.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.44D-15 for   3037.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.63D-06 for   1893   1374.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.11D-14 for   1812.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.95D-14 for   1363     26.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.22D-15 for   3748.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.91D-16 for   1871    707.
 E= -1013.45095922653    
 DIIS: error= 5.49D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45095922653     IErMin= 1 ErrMin= 5.49D-04
 ErrMax= 5.49D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-04 BMatP= 3.06D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.49D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=8.88D-05 MaxDP=2.50D-03              OVMax= 3.98D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.87D-05    CP:  1.00D+00
 E= -1013.45143087240     Delta-E=       -0.000471645865 Rises=F Damp=F
 DIIS: error= 8.79D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45143087240     IErMin= 2 ErrMin= 8.79D-05
 ErrMax= 8.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.86D-06 BMatP= 3.06D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.282D-01 0.972D+00
 Coeff:      0.282D-01 0.972D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.23D-05 MaxDP=1.41D-03 DE=-4.72D-04 OVMax= 1.68D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.17D-05    CP:  1.00D+00  9.44D-01
 E= -1013.45140746227     Delta-E=        0.000023410124 Rises=F Damp=F
 DIIS: error= 2.30D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45143087240     IErMin= 2 ErrMin= 8.79D-05
 ErrMax= 2.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-05 BMatP= 6.86D-06
 IDIUse=3 WtCom= 3.97D-01 WtEn= 6.03D-01
 Coeff-Com:  0.337D-02 0.706D+00 0.290D+00
 Coeff-En:   0.000D+00 0.786D+00 0.214D+00
 Coeff:      0.134D-02 0.754D+00 0.245D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.39D-05 MaxDP=9.75D-04 DE= 2.34D-05 OVMax= 1.17D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.51D-06    CP:  1.00D+00  9.60D-01  4.19D-01
 E= -1013.45143649280     Delta-E=       -0.000029030526 Rises=F Damp=F
 DIIS: error= 1.59D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45143649280     IErMin= 4 ErrMin= 1.59D-05
 ErrMax= 1.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-07 BMatP= 6.86D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.293D-04 0.269D+00 0.625D-01 0.668D+00
 Coeff:      0.293D-04 0.269D+00 0.625D-01 0.668D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.06D-06 MaxDP=1.26D-04 DE=-2.90D-05 OVMax= 1.34D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.82D-06    CP:  1.00D+00  9.68D-01  3.44D-01  6.91D-01
 E= -1013.45143674635     Delta-E=       -0.000000253546 Rises=F Damp=F
 DIIS: error= 1.75D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45143674635     IErMin= 4 ErrMin= 1.59D-05
 ErrMax= 1.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-07 BMatP= 4.49D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.765D-05 0.142D+00 0.247D-01 0.457D+00 0.376D+00
 Coeff:      0.765D-05 0.142D+00 0.247D-01 0.457D+00 0.376D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=9.61D-07 MaxDP=7.15D-05 DE=-2.54D-07 OVMax= 7.33D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.18D-07    CP:  1.00D+00  9.68D-01  3.40D-01  7.25D-01  5.71D-01
 E= -1013.45143688982     Delta-E=       -0.000000143475 Rises=F Damp=F
 DIIS: error= 1.13D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45143688982     IErMin= 6 ErrMin= 1.13D-06
 ErrMax= 1.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.21D-10 BMatP= 1.64D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-04 0.391D-01 0.615D-02 0.135D+00 0.135D+00 0.684D+00
 Coeff:     -0.128D-04 0.391D-01 0.615D-02 0.135D+00 0.135D+00 0.684D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.45D-07 MaxDP=5.72D-06 DE=-1.43D-07 OVMax= 9.54D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.23D-07    CP:  1.00D+00  9.68D-01  3.42D-01  7.30D-01  5.58D-01
                    CP:  8.96D-01
 E= -1013.45143689032     Delta-E=       -0.000000000499 Rises=F Damp=F
 DIIS: error= 6.25D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45143689032     IErMin= 7 ErrMin= 6.25D-07
 ErrMax= 6.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-10 BMatP= 9.21D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-04 0.987D-02 0.140D-02 0.370D-01 0.434D-01 0.391D+00
 Coeff-Com:  0.517D+00
 Coeff:     -0.129D-04 0.987D-02 0.140D-02 0.370D-01 0.434D-01 0.391D+00
 Coeff:      0.517D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=5.46D-08 MaxDP=2.31D-06 DE=-4.99D-10 OVMax= 4.76D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.55D-08    CP:  1.00D+00  9.68D-01  3.42D-01  7.31D-01  5.63D-01
                    CP:  8.98D-01  6.80D-01
 E= -1013.45143689059     Delta-E=       -0.000000000273 Rises=F Damp=F
 DIIS: error= 2.41D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45143689059     IErMin= 8 ErrMin= 2.41D-07
 ErrMax= 2.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-11 BMatP= 2.65D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.808D-05 0.427D-02 0.616D-03 0.165D-01 0.206D-01 0.215D+00
 Coeff-Com:  0.341D+00 0.402D+00
 Coeff:     -0.808D-05 0.427D-02 0.616D-03 0.165D-01 0.206D-01 0.215D+00
 Coeff:      0.341D+00 0.402D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.18D-08 MaxDP=1.36D-06 DE=-2.73D-10 OVMax= 2.20D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.66D-08    CP:  1.00D+00  9.68D-01  3.42D-01  7.31D-01  5.64D-01
                    CP:  9.00D-01  6.90D-01  6.16D-01
 E= -1013.45143689066     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 1.09D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45143689066     IErMin= 9 ErrMin= 1.09D-07
 ErrMax= 1.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-11 BMatP= 3.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.300D-05 0.781D-03 0.138D-03 0.326D-02 0.497D-02 0.680D-01
 Coeff-Com:  0.137D+00 0.332D+00 0.455D+00
 Coeff:     -0.300D-05 0.781D-03 0.138D-03 0.326D-02 0.497D-02 0.680D-01
 Coeff:      0.137D+00 0.332D+00 0.455D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=8.98D-09 MaxDP=4.80D-07 DE=-7.00D-11 OVMax= 9.07D-07

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45143689     A.U. after    9 cycles
            NFock=  9  Conv=0.90D-08     -V/T= 2.0213
 KE= 9.923457132476D+02 PE=-6.032463408165D+03 EE= 2.176197843332D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:05:54 2016, MaxMem=  2952790016 cpu:      1279.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11991 LenP2D=   37513.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     370
 Leave Link  701 at Mon Nov 14 05:06:02 2016, MaxMem=  2952790016 cpu:        98.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:06:02 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:06:39 2016, MaxMem=  2952790016 cpu:       442.4
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21924873D+00-2.54899870D+00 3.32980975D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000241276   -0.000150522   -0.000269047
      2        6          -0.000116803    0.000070986   -0.000206723
      3        8           0.000019716   -0.000057227    0.000092535
      4        7           0.000257172    0.000154663    0.000179536
      5        1           0.000020892   -0.000015920   -0.000001942
      6        6          -0.000320733   -0.000199022   -0.000264723
      7        1           0.000068438    0.000067891   -0.000033578
      8        1           0.000148002   -0.000045960    0.000216699
      9        1           0.000085954    0.000051502    0.000058528
     10        6          -0.000255144    0.000277855    0.000148239
     11        1           0.000059139   -0.000079470    0.000019221
     12        1           0.000109590   -0.000009488   -0.000021610
     13        1           0.000041733    0.000013019   -0.000001955
     14        6          -0.000165825   -0.000006989   -0.000090849
     15        8           0.000022877   -0.000019638    0.000136791
     16        7          -0.000309110    0.000207900   -0.000111498
     17        1           0.000014182   -0.000046884    0.000000173
     18        6           0.000344629    0.000072039   -0.000418202
     19        1           0.000077082   -0.000200400    0.000168737
     20        1           0.000019638   -0.000023299    0.000007669
     21        1          -0.000034883    0.000009958    0.000045958
     22        6          -0.000196057    0.000089956    0.000248741
     23        1          -0.000001315    0.000049479   -0.000122784
     24        1          -0.000024162   -0.000004133   -0.000017587
     25        1          -0.000015309    0.000033354    0.000031724
     26        6           0.000014971   -0.000046798   -0.000170628
     27        8          -0.000030980   -0.000118665    0.000074722
     28        7          -0.000136751   -0.000265445    0.000020649
     29        1           0.000112964    0.000102342    0.000076809
     30        6          -0.000113780    0.000010718    0.000102985
     31        1          -0.000000772   -0.000010164    0.000014405
     32        1           0.000142748    0.000192493   -0.000072424
     33        1          -0.000060252   -0.000017231   -0.000023244
     34        6          -0.000074852    0.000197339    0.000005633
     35        1           0.000018522   -0.000002768    0.000042883
     36        1          -0.000001404   -0.000054095    0.000009209
     37        1          -0.000010977   -0.000049496    0.000019349
     38        6           0.000747465   -0.000072087    0.000855896
     39        8          -0.000097157    0.000190600   -0.000347662
     40        7          -0.000656286   -0.000128465   -0.000428940
     41        1           0.000001262   -0.000005073   -0.000064219
     42        6          -0.000126092    0.000036557    0.000138769
     43        1          -0.000036003   -0.000126736   -0.000067867
     44        1           0.000149185   -0.000080012    0.000083741
     45        1          -0.000081728   -0.000013612    0.000015947
     46        6           0.000257760   -0.000145550   -0.000218880
     47        1          -0.000059685    0.000050067    0.000058458
     48        1          -0.000024127    0.000110849    0.000035776
     49        1          -0.000025008    0.000005584    0.000044577
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000855896 RMS     0.000169805
 Leave Link  716 at Mon Nov 14 05:06:39 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000511803 RMS     0.000038756
 Search for a local minimum.
 Step number 113 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .38756D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   91   92   93   94   95
                                                     96   97   98   99  100
                                                    101  102  103  104  105
                                                    106  108  107  110  111
                                                    112  113
 DE= -1.53D-05 DEPred=-1.95D-05 R= 7.86D-01
 TightC=F SS=  1.41D+00  RLast= 1.67D-01 DXNew= 1.9044D-01 4.9986D-01
 Trust test= 7.86D-01 RLast= 1.67D-01 DXMaxT set to 1.90D-01
 ITU=  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1
 ITU= -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1
 ITU=  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00000   0.00001   0.00063   0.00081   0.00090
     Eigenvalues ---    0.00101   0.00128   0.00171   0.00200   0.00208
     Eigenvalues ---    0.00242   0.00277   0.00328   0.00438   0.00453
     Eigenvalues ---    0.00535   0.00663   0.00691   0.00798   0.00835
     Eigenvalues ---    0.00855   0.00880   0.00983   0.01008   0.01101
     Eigenvalues ---    0.01172   0.01224   0.01271   0.01323   0.01426
     Eigenvalues ---    0.01555   0.01610   0.01701   0.01763   0.01792
     Eigenvalues ---    0.01812   0.01835   0.01861   0.01945   0.02090
     Eigenvalues ---    0.02148   0.02262   0.02336   0.02454   0.02460
     Eigenvalues ---    0.02485   0.02632   0.03063   0.03123   0.03258
     Eigenvalues ---    0.03751   0.04311   0.04520   0.04901   0.05538
     Eigenvalues ---    0.05665   0.05889   0.06000   0.06263   0.06291
     Eigenvalues ---    0.06590   0.06789   0.06892   0.07265   0.07460
     Eigenvalues ---    0.07653   0.07771   0.07974   0.08085   0.08136
     Eigenvalues ---    0.08407   0.08540   0.08755   0.08925   0.08999
     Eigenvalues ---    0.09313   0.09459   0.09539   0.09619   0.09898
     Eigenvalues ---    0.10012   0.10413   0.10494   0.10598   0.10883
     Eigenvalues ---    0.10948   0.11267   0.11391   0.11521   0.13112
     Eigenvalues ---    0.13485   0.14015   0.14495   0.14901   0.15206
     Eigenvalues ---    0.15452   0.16296   0.21681   0.22430   0.23059
     Eigenvalues ---    0.24074   0.24664   0.25213   0.25843   0.26454
     Eigenvalues ---    0.27077   0.27891   0.28634   0.29396   0.29547
     Eigenvalues ---    0.29920   0.30365   0.32793   0.32825   0.32837
     Eigenvalues ---    0.32948   0.33297   0.33358   0.33363   0.33391
     Eigenvalues ---    0.33418   0.33429   0.33503   0.33524   0.33735
     Eigenvalues ---    0.33811   0.33817   0.33838   0.33945   0.33990
     Eigenvalues ---    0.34074   0.34212   0.34294   0.36316   0.39557
     Eigenvalues ---    0.40825   0.61575   0.86084   0.86411   0.87276
     Eigenvalues ---    0.95682
 Eigenvalue     1 is   3.34D-06 Eigenvector:
                         D389      D391      D403      D405      D407
   1                   -0.21700  -0.21492  -0.17878  -0.17674  -0.17279
                         D383      D393      D401      D385      D395
   1                   -0.17123  -0.16630  -0.16467  -0.16211  -0.16206
 Eigenvalue     2 is   1.18D-05 Eigenvector:
                         D399      D381      D397      D387      D385
   1                   -0.17249  -0.15894  -0.15251  -0.14942  -0.14400
                         D395      D401      D393      D379       D54
   1                   -0.14373  -0.14099  -0.13906  -0.13877   0.13853
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   113  112  111  110
 RFO step:  Lambda=-1.84489846D-06.
 NNeg= 0 NP= 4 Switch=  2.50D-03 Rises=F DC= -1.98D-05 SmlDif=  1.00D-05
 RMS Error=  0.9273419062D-04 NUsed= 4 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    0.82783    0.17913    0.12539   -0.13235
 Iteration  1 RMS(Cart)=  0.00503383 RMS(Int)=  0.00002365
 Iteration  2 RMS(Cart)=  0.00001858 RMS(Int)=  0.00001739
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001739
 ITry= 1 IFail=0 DXMaxC= 4.22D-02 DCOld= 1.00D+10 DXMaxT= 1.90D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58645   0.00004  -0.00135   0.00097  -0.00037   6.58608
    R2        6.25316   0.00002  -0.00083  -0.00322  -0.00402   6.24914
    R3        7.19971   0.00001  -0.00527  -0.00809  -0.01336   7.18635
    R4        6.26486   0.00001  -0.00805  -0.01219  -0.02025   6.24461
    R5        6.53172  -0.00007   0.00041  -0.00162  -0.00120   6.53052
    R6        5.97497   0.00000  -0.00042  -0.00136  -0.00177   5.97320
    R7        6.68435   0.00003  -0.00265  -0.00157  -0.00421   6.68014
    R8        6.22061  -0.00003  -0.00148  -0.00182  -0.00328   6.21733
    R9        6.64905  -0.00011  -0.00200  -0.00310  -0.00511   6.64394
   R10        6.05569  -0.00003  -0.00324  -0.00004  -0.00328   6.05241
   R11        6.93959  -0.00008  -0.00246  -0.00054  -0.00299   6.93660
   R12        6.02128   0.00000  -0.00119   0.00032  -0.00087   6.02041
   R13        6.88411   0.00000  -0.00065  -0.00042  -0.00107   6.88305
   R14        6.19410  -0.00004  -0.00010  -0.00039  -0.00050   6.19360
   R15        6.83981  -0.00003  -0.00371  -0.00107  -0.00478   6.83503
   R16        5.94259  -0.00002  -0.00179  -0.00142  -0.00321   5.93938
   R17        6.69819  -0.00005   0.00179   0.00063   0.00242   6.70061
   R18        6.55520  -0.00011  -0.00250  -0.00722  -0.00972   6.54548
   R19        6.21699  -0.00002  -0.00082   0.00016  -0.00066   6.21634
   R20        6.56889  -0.00004  -0.00161   0.00051  -0.00110   6.56780
   R21        6.04509  -0.00004  -0.00100  -0.00115  -0.00215   6.04294
   R22        7.02228  -0.00009   0.00080   0.00265   0.00346   7.02574
   R23        6.04596  -0.00001   0.00295   0.00263   0.00557   6.05154
   R24        2.34957   0.00002  -0.00003   0.00002  -0.00001   2.34956
   R25        2.57140   0.00011   0.00001  -0.00010  -0.00011   2.57129
   R26        2.09474  -0.00004  -0.00001   0.00003   0.00002   2.09477
   R27        2.76651  -0.00015   0.00006   0.00013   0.00016   2.76667
   R28        2.76926  -0.00011   0.00002   0.00023   0.00024   2.76950
   R29        2.07657   0.00000   0.00001  -0.00002  -0.00001   2.07656
   R30        2.08176   0.00016  -0.00018   0.00011  -0.00009   2.08167
   R31        2.08239   0.00006  -0.00006  -0.00003  -0.00009   2.08230
   R32        2.08085   0.00000   0.00004  -0.00011  -0.00008   2.08077
   R33        2.07480  -0.00003   0.00002   0.00000   0.00002   2.07482
   R34        2.08330   0.00003  -0.00002   0.00000  -0.00002   2.08327
   R35        2.34862   0.00015   0.00002  -0.00008  -0.00006   2.34856
   R36        2.57166   0.00007  -0.00015  -0.00008  -0.00034   2.57132
   R37        2.09417   0.00003   0.00000   0.00003   0.00003   2.09420
   R38        2.77068  -0.00027   0.00030   0.00038   0.00070   2.77137
   R39        2.76607  -0.00011   0.00007   0.00000   0.00002   2.76609
   R40        2.08235  -0.00020   0.00009  -0.00004   0.00007   2.08242
   R41        2.08396   0.00000  -0.00002   0.00000  -0.00002   2.08394
   R42        2.07342   0.00006  -0.00010   0.00004  -0.00006   2.07336
   R43        2.08320   0.00001   0.00000   0.00000  -0.00001   2.08320
   R44        2.08398  -0.00002   0.00013  -0.00001   0.00014   2.08412
   R45        2.07675  -0.00002   0.00002  -0.00003  -0.00001   2.07674
   R46        2.34802  -0.00005  -0.00003  -0.00005  -0.00009   2.34793
   R47        2.57201   0.00006   0.00007  -0.00006   0.00001   2.57202
   R48        2.09377  -0.00001   0.00002   0.00001   0.00003   2.09380
   R49        2.76666  -0.00008   0.00020   0.00001   0.00023   2.76689
   R50        2.76850  -0.00001  -0.00003   0.00001  -0.00001   2.76850
   R51        2.08441   0.00001  -0.00001   0.00003   0.00002   2.08444
   R52        2.08326  -0.00011   0.00020   0.00011   0.00034   2.08360
   R53        2.07638   0.00000   0.00007  -0.00002   0.00004   2.07642
   R54        2.08504   0.00004  -0.00003   0.00002  -0.00001   2.08504
   R55        2.07423  -0.00003   0.00005   0.00001   0.00006   2.07429
   R56        2.07764   0.00002  -0.00001  -0.00003  -0.00004   2.07760
   R57        2.34827   0.00041  -0.00005   0.00003  -0.00002   2.34825
   R58        2.57443  -0.00051   0.00026   0.00021   0.00049   2.57492
   R59        2.09482  -0.00002  -0.00002  -0.00005  -0.00007   2.09475
   R60        2.77007   0.00000   0.00005  -0.00006  -0.00001   2.77006
   R61        2.76521   0.00002  -0.00011   0.00021   0.00011   2.76532
   R62        2.07415   0.00005  -0.00005  -0.00003  -0.00008   2.07407
   R63        2.08355  -0.00004  -0.00002   0.00003   0.00000   2.08355
   R64        2.08027  -0.00003   0.00003   0.00000   0.00001   2.08028
   R65        2.07604   0.00001  -0.00002   0.00004   0.00003   2.07607
   R66        2.08571  -0.00007   0.00001   0.00024   0.00023   2.08594
   R67        2.08210   0.00004   0.00003  -0.00010  -0.00007   2.08204
    A1        0.68411   0.00000   0.00037   0.00055   0.00091   0.68501
    A2        0.96139   0.00003   0.00041   0.00067   0.00106   0.96244
    A3        0.72754  -0.00001   0.00004   0.00003   0.00007   0.72761
    A4        1.01988   0.00001   0.00012   0.00014   0.00026   1.02013
    A5        2.36980  -0.00001   0.00275   0.00212   0.00485   2.37465
    A6        2.03734  -0.00002   0.00099   0.00168   0.00267   2.04001
    A7        1.96955  -0.00001  -0.00205   0.00086  -0.00119   1.96837
    A8        1.67077   0.00001  -0.00274   0.00032  -0.00241   1.66836
    A9        1.67476  -0.00001   0.00208   0.00198   0.00408   1.67884
   A10        1.39009  -0.00002   0.00163   0.00183   0.00347   1.39357
   A11        1.73764   0.00001   0.00087  -0.00047   0.00039   1.73802
   A12        2.04603   0.00002   0.00147  -0.00022   0.00124   2.04727
   A13        1.95610   0.00001   0.00214   0.00028   0.00241   1.95851
   A14        2.05398  -0.00002   0.00343   0.00054   0.00396   2.05794
   A15        2.43664   0.00001   0.00087  -0.00041   0.00046   2.43710
   A16        1.58532   0.00004  -0.00125   0.00215   0.00091   1.58623
   A17        1.78666   0.00000  -0.00095   0.00141   0.00047   1.78713
   A18        1.56603   0.00002  -0.00065   0.00050  -0.00015   1.56588
   A19        1.70750   0.00002  -0.00017  -0.00073  -0.00090   1.70661
   A20        2.18911   0.00001  -0.00102   0.00118   0.00017   2.18929
   A21        2.40894   0.00000  -0.00106   0.00094  -0.00012   2.40882
   A22        0.64843   0.00000   0.00047   0.00089   0.00134   0.64978
   A23        0.66001   0.00001   0.00012   0.00027   0.00038   0.66040
   A24        2.43924   0.00003   0.00524   0.00283   0.00806   2.44729
   A25        2.24831   0.00002   0.00266   0.00242   0.00507   2.25338
   A26        2.32046   0.00001  -0.00099   0.00144   0.00042   2.32088
   A27        2.04569   0.00003  -0.00227   0.00058  -0.00169   2.04400
   A28        1.84092   0.00003   0.00277   0.00246   0.00524   1.84617
   A29        1.59421   0.00001   0.00190   0.00215   0.00405   1.59826
   A30        1.34295  -0.00001   0.00067  -0.00046   0.00020   1.34315
   A31        1.64705   0.00001   0.00141  -0.00019   0.00122   1.64826
   A32        1.60438   0.00001   0.00238   0.00034   0.00271   1.60710
   A33        1.76764  -0.00002   0.00380   0.00059   0.00439   1.77203
   A34        2.03969   0.00000   0.00081  -0.00036   0.00045   2.04013
   A35        1.85346   0.00002  -0.00069   0.00238   0.00170   1.85516
   A36        1.92310   0.00000  -0.00027   0.00136   0.00110   1.92420
   A37        1.57543   0.00001  -0.00010   0.00073   0.00065   1.57608
   A38        1.59504   0.00000   0.00035  -0.00061  -0.00025   1.59480
   A39        2.27822  -0.00001  -0.00013   0.00063   0.00051   2.27872
   A40        2.37305  -0.00003  -0.00020   0.00022   0.00003   2.37308
   A41        0.69342  -0.00003   0.00045   0.00070   0.00113   0.69456
   A42        0.75076   0.00000   0.00057   0.00061   0.00118   0.75194
   A43        2.71063   0.00002   0.00626   0.00286   0.00909   2.71972
   A44        2.63431  -0.00001   0.00341   0.00312   0.00650   2.64081
   A45        2.64824  -0.00001  -0.00223   0.00102  -0.00127   2.64697
   A46        2.33734   0.00002  -0.00287   0.00044  -0.00245   2.33489
   A47        2.22500   0.00001   0.00331   0.00311   0.00641   2.23141
   A48        1.98410  -0.00001   0.00233   0.00276   0.00509   1.98919
   A49        1.10291   0.00001   0.00108  -0.00077   0.00032   1.10323
   A50        1.46599   0.00002   0.00157  -0.00056   0.00101   1.46700
   A51        1.57702   0.00001   0.00283   0.00020   0.00303   1.58006
   A52        1.82232  -0.00002   0.00402   0.00050   0.00452   1.82685
   A53        1.78446   0.00001   0.00049  -0.00094  -0.00044   1.78403
   A54        1.71493   0.00001  -0.00026   0.00224   0.00200   1.71692
   A55        1.65047   0.00002  -0.00016   0.00083   0.00068   1.65115
   A56        1.24962   0.00003  -0.00021   0.00037   0.00018   1.24981
   A57        1.21775   0.00003   0.00004  -0.00112  -0.00107   1.21669
   A58        1.94386   0.00001  -0.00013  -0.00019  -0.00031   1.94355
   A59        1.99159  -0.00001  -0.00048  -0.00050  -0.00096   1.99062
   A60        0.84687  -0.00001   0.00059   0.00125   0.00183   0.84869
   A61        0.78396   0.00001   0.00082   0.00130   0.00210   0.78606
   A62        2.63976   0.00001   0.00490   0.00177   0.00660   2.64637
   A63        2.81032   0.00002   0.00477   0.00367   0.00843   2.81876
   A64        2.59162   0.00004  -0.00325  -0.00008  -0.00337   2.58825
   A65        2.42687   0.00003   0.00359   0.00360   0.00718   2.43405
   A66        2.22500   0.00001   0.00246   0.00319   0.00564   2.23064
   A67        0.86378  -0.00001   0.00138  -0.00051   0.00090   0.86468
   A68        1.24147   0.00000   0.00166  -0.00036   0.00132   1.24279
   A69        1.43208  -0.00001   0.00291   0.00053   0.00345   1.43553
   A70        1.71048  -0.00003   0.00378   0.00077   0.00455   1.71503
   A71        1.52116  -0.00002   0.00043  -0.00094  -0.00048   1.52068
   A72        1.73179   0.00000   0.00016   0.00154   0.00172   1.73351
   A73        1.56181   0.00002   0.00017   0.00010   0.00029   1.56210
   A74        1.13190   0.00002   0.00007  -0.00001   0.00007   1.13197
   A75        1.02241   0.00001   0.00022  -0.00142  -0.00118   1.02123
   A76        1.77791  -0.00001   0.00016  -0.00100  -0.00082   1.77709
   A77        1.76775  -0.00003  -0.00029  -0.00113  -0.00140   1.76635
   A78        2.04434   0.00004   0.00574   0.00261   0.00834   2.05268
   A79        1.97462   0.00003   0.00380   0.00249   0.00629   1.98091
   A80        2.23618   0.00000   0.00147   0.00226   0.00372   2.23989
   A81        2.07756   0.00002  -0.00068   0.00119   0.00051   2.07807
   A82        1.58006   0.00004   0.00301   0.00235   0.00536   1.58542
   A83        1.40603   0.00002   0.00184   0.00195   0.00379   1.40983
   A84        1.19520   0.00000  -0.00010  -0.00040  -0.00050   1.19470
   A85        1.38880   0.00002   0.00104  -0.00011   0.00093   1.38972
   A86        1.22904   0.00002   0.00204   0.00026   0.00230   1.23134
   A87        1.34835   0.00000   0.00369   0.00046   0.00416   1.35251
   A88        1.81446   0.00002   0.00088  -0.00015   0.00073   1.81519
   A89        2.28321   0.00001  -0.00084   0.00248   0.00165   2.28486
   A90        2.33545  -0.00001   0.00002   0.00152   0.00156   2.33701
   A91        1.94277   0.00000   0.00027   0.00109   0.00137   1.94414
   A92        1.86900   0.00000   0.00083  -0.00015   0.00069   1.86969
   A93        2.62419  -0.00003   0.00066   0.00031   0.00099   2.62518
   A94        2.56695  -0.00003   0.00084  -0.00039   0.00046   2.56741
   A95        1.96029   0.00001   0.00565   0.00216   0.00781   1.96810
   A96        2.02904   0.00001   0.00405   0.00225   0.00630   2.03534
   A97        2.39545  -0.00002   0.00267   0.00237   0.00505   2.40049
   A98        2.33039   0.00000   0.00001   0.00138   0.00139   2.33179
   A99        1.68964   0.00002   0.00265   0.00205   0.00471   1.69435
   A100       1.58841   0.00001   0.00141   0.00167   0.00308   1.59149
   A101       0.88770   0.00000  -0.00019  -0.00039  -0.00058   0.88712
   A102       1.06718   0.00001   0.00109  -0.00020   0.00088   1.06805
   A103       0.94589   0.00000   0.00222   0.00009   0.00231   0.94819
   A104       1.11912  -0.00003   0.00371   0.00025   0.00396   1.12307
   A105       1.49252   0.00001   0.00091  -0.00024   0.00066   1.49319
   A106       2.46405   0.00002   0.00015   0.00283   0.00299   2.46704
   A107       2.34366   0.00003   0.00110   0.00136   0.00247   2.34613
   A108       1.91085   0.00003   0.00103   0.00134   0.00238   1.91322
   A109       1.74111   0.00003   0.00143   0.00021   0.00164   1.74275
   A110       2.46532   0.00000   0.00168  -0.00031   0.00138   2.46671
   A111       2.30405  -0.00001   0.00140  -0.00071   0.00069   2.30474
   A112       0.71514  -0.00003   0.00027   0.00022   0.00048   0.71562
   A113       1.00745  -0.00004   0.00040   0.00029   0.00068   1.00813
   A114       0.69755   0.00000   0.00028   0.00006   0.00030   0.69786
   A115       0.98624   0.00001   0.00043   0.00013   0.00053   0.98677
   A116       1.81577   0.00001   0.00141   0.00076   0.00219   1.81796
   A117       1.43465   0.00000   0.00131   0.00071   0.00204   1.43669
   A118       1.20777   0.00002   0.00188   0.00118   0.00307   1.21084
   A119       0.93129   0.00004   0.00141   0.00130   0.00271   0.93400
   A120       1.25024   0.00002   0.00038  -0.00010   0.00030   1.25053
   A121       1.85513  -0.00002  -0.00598  -0.00488  -0.01086   1.84427
   A122       1.90338  -0.00003  -0.00577  -0.00414  -0.00989   1.89349
   A123       2.26812  -0.00003  -0.00502  -0.00353  -0.00854   2.25958
   A124       2.19928  -0.00002  -0.00355  -0.00167  -0.00522   2.19406
   A125       1.56571  -0.00001  -0.00517  -0.00345  -0.00860   1.55711
   A126       1.44211   0.00000  -0.00386  -0.00316  -0.00699   1.43512
   A127       0.65785  -0.00005   0.00031   0.00019   0.00051   0.65836
   A128       0.66171   0.00000   0.00017   0.00009   0.00025   0.66196
   A129       2.17726   0.00001   0.00107   0.00092   0.00200   2.17926
   A130       1.80415   0.00001   0.00095   0.00077   0.00172   1.80588
   A131       1.51277   0.00002   0.00098   0.00111   0.00208   1.51485
   A132       1.21782   0.00004   0.00060   0.00109   0.00168   1.21950
   A133       1.64486   0.00003   0.00056  -0.00001   0.00056   1.64542
   A134       1.70934  -0.00001  -0.00521  -0.00437  -0.00959   1.69975
   A135       1.90997  -0.00004  -0.00507  -0.00367  -0.00874   1.90122
   A136       2.34086  -0.00004  -0.00490  -0.00364  -0.00853   2.33232
   A137       2.42861  -0.00003  -0.00395  -0.00213  -0.00608   2.42253
   A138       1.68390  -0.00001  -0.00436  -0.00286  -0.00721   1.67669
   A139       1.65728   0.00001  -0.00297  -0.00261  -0.00557   1.65172
   A140       0.70675  -0.00004   0.00027   0.00036   0.00064   0.70739
   A141       0.83157  -0.00002  -0.00005   0.00041   0.00037   0.83195
   A142       2.51211  -0.00001   0.00215   0.00077   0.00292   2.51503
   A143       2.13318  -0.00002   0.00209   0.00087   0.00296   2.13614
   A144       1.91525  -0.00001   0.00175   0.00138   0.00312   1.91837
   A145       1.62666   0.00001   0.00117   0.00142   0.00257   1.62923
   A146       1.84916   0.00000   0.00206   0.00016   0.00221   1.85138
   A147       1.28480   0.00003  -0.00518  -0.00450  -0.00969   1.27511
   A148       1.52968  -0.00001  -0.00458  -0.00352  -0.00809   1.52159
   A149       1.96039   0.00000  -0.00458  -0.00366  -0.00824   1.95215
   A150       2.14503   0.00000  -0.00382  -0.00254  -0.00636   2.13867
   A151       1.39864   0.00002  -0.00334  -0.00234  -0.00566   1.39298
   A152       1.47244   0.00003  -0.00168  -0.00193  -0.00359   1.46885
   A153       0.76893  -0.00005   0.00038   0.00015   0.00055   0.76948
   A154       0.76568  -0.00002  -0.00009   0.00012   0.00005   0.76573
   A155       2.82234  -0.00004   0.00197   0.00102   0.00299   2.82533
   A156       2.44059  -0.00005   0.00192   0.00102   0.00292   2.44352
   A157       2.16795  -0.00003   0.00105   0.00124   0.00227   2.17023
   A158       1.87201  -0.00001   0.00072   0.00119   0.00189   1.87390
   A159       2.16120  -0.00003   0.00231   0.00044   0.00274   2.16394
   A160       1.16046   0.00005  -0.00403  -0.00333  -0.00734   1.15312
   A161       1.49154  -0.00002  -0.00336  -0.00228  -0.00562   1.48592
   A162       1.88603   0.00000  -0.00368  -0.00275  -0.00642   1.87961
   A163       2.14984  -0.00001  -0.00320  -0.00201  -0.00521   2.14464
   A164       1.48480   0.00001  -0.00204  -0.00101  -0.00303   1.48177
   A165       1.63399   0.00001  -0.00064  -0.00074  -0.00136   1.63263
   A166       2.15797   0.00002  -0.00038   0.00092   0.00053   2.15850
   A167       1.85797   0.00001  -0.00054   0.00055   0.00000   1.85797
   A168       1.47186   0.00003  -0.00072   0.00068  -0.00005   1.47181
   A169       1.19249   0.00004  -0.00071   0.00048  -0.00026   1.19223
   A170       1.86190   0.00003  -0.00070  -0.00024  -0.00096   1.86094
   A171       1.92927   0.00000  -0.00369  -0.00323  -0.00694   1.92233
   A172       2.23157  -0.00006  -0.00395  -0.00291  -0.00687   2.22469
   A173       2.65110  -0.00005  -0.00366  -0.00287  -0.00656   2.64454
   A174       2.07769  -0.00002  -0.00383  -0.00254  -0.00638   2.07131
   A175       2.06656   0.00000  -0.00282  -0.00261  -0.00543   2.06113
   A176       2.26455   0.00001  -0.00084   0.00079  -0.00006   2.26448
   A177       2.04388   0.00001  -0.00089   0.00041  -0.00050   2.04338
   A178       1.63189   0.00002  -0.00117   0.00040  -0.00080   1.63110
   A179       1.38294   0.00002  -0.00087   0.00016  -0.00074   1.38220
   A180       2.12777   0.00003  -0.00081  -0.00027  -0.00109   2.12668
   A181       1.87278   0.00002  -0.00263  -0.00195  -0.00460   1.86818
   A182       2.24528  -0.00004  -0.00273  -0.00161  -0.00435   2.24092
   A183       2.57429  -0.00002  -0.00186  -0.00120  -0.00308   2.57121
   A184       2.22522   0.00000  -0.00301  -0.00163  -0.00464   2.22058
   A185       2.28944   0.00001  -0.00226  -0.00201  -0.00427   2.28517
   A186       0.69327  -0.00001   0.00028   0.00011   0.00039   0.69365
   A187       0.98523  -0.00002   0.00043   0.00017   0.00060   0.98583
   A188       0.69916   0.00000  -0.00003   0.00005   0.00002   0.69918
   A189       2.14556  -0.00003   0.00342   0.00107   0.00450   2.15006
   A190       1.76106   0.00004   0.00319   0.00030   0.00349   1.76456
   A191       1.43313   0.00002   0.00318   0.00095   0.00413   1.43726
   A192       1.12713   0.00002   0.00314   0.00063   0.00377   1.13090
   A193       1.64251   0.00000   0.00270  -0.00058   0.00212   1.64463
   A194       1.42577  -0.00001   0.00195  -0.00053   0.00141   1.42719
   A195       0.66777  -0.00002   0.00012   0.00015   0.00029   0.66805
   A196       2.27398  -0.00005   0.00221  -0.00032   0.00188   2.27586
   A197       1.87376   0.00003   0.00210  -0.00058   0.00152   1.87528
   A198       1.66011   0.00001   0.00239   0.00040   0.00279   1.66289
   A199       1.33928   0.00002   0.00229   0.00047   0.00276   1.34204
   A200       1.62007  -0.00001   0.00163  -0.00126   0.00037   1.62044
   A201       1.35083  -0.00001   0.00122  -0.00119   0.00003   1.35086
   A202       0.71158   0.00001   0.00014  -0.00008   0.00007   0.71164
   A203       2.64768  -0.00006   0.00138  -0.00122   0.00012   2.64780
   A204       2.26631   0.00002   0.00181  -0.00089   0.00091   2.26722
   A205       2.07502   0.00000   0.00278   0.00055   0.00332   2.07834
   A206       1.75423   0.00000   0.00268   0.00057   0.00325   1.75747
   A207       1.95227  -0.00001   0.00101  -0.00160  -0.00059   1.95168
   A208       1.66895  -0.00001   0.00085  -0.00153  -0.00069   1.66826
   A209       0.83011   0.00002  -0.00051  -0.00001  -0.00051   0.82960
   A210       2.64377  -0.00002  -0.00226  -0.00272  -0.00499   2.63878
   A211       2.36859   0.00003  -0.00061  -0.00159  -0.00221   2.36638
   A212       2.30515   0.00000   0.00158   0.00017   0.00174   2.30688
   A213       1.98981   0.00000   0.00169   0.00052   0.00222   1.99203
   A214       1.98738   0.00001  -0.00112  -0.00186  -0.00297   1.98441
   A215       1.71208   0.00001  -0.00082  -0.00175  -0.00257   1.70951
   A216       1.93611  -0.00007   0.00123  -0.00115   0.00008   1.93619
   A217       1.56617   0.00000   0.00112  -0.00111   0.00001   1.56618
   A218       1.49501  -0.00002   0.00111  -0.00022   0.00089   1.49590
   A219       1.20185  -0.00002   0.00094   0.00032   0.00126   1.20311
   A220       1.24291  -0.00002   0.00109  -0.00146  -0.00036   1.24254
   A221       0.96139  -0.00002   0.00092  -0.00136  -0.00045   0.96094
   A222       0.72758  -0.00005   0.00024   0.00047   0.00072   0.72830
   A223       1.01972  -0.00005   0.00029   0.00059   0.00088   1.02060
   A224       0.69797  -0.00004   0.00009   0.00009   0.00018   0.69814
   A225       0.98178  -0.00005   0.00017   0.00002   0.00019   0.98197
   A226       0.65862   0.00001   0.00010   0.00020   0.00030   0.65893
   A227       0.66107   0.00001  -0.00016  -0.00002  -0.00018   0.66088
   A228       0.70376  -0.00002   0.00002  -0.00021  -0.00020   0.70356
   A229       0.84817  -0.00003  -0.00034   0.00022  -0.00013   0.84804
   A230       0.75746  -0.00003  -0.00003   0.00026   0.00023   0.75769
   A231       0.77804  -0.00003  -0.00055   0.00084   0.00029   0.77833
   A232       1.59847  -0.00008   0.00105   0.00112   0.00216   1.60063
   A233       1.85406   0.00002  -0.00143   0.00077  -0.00066   1.85340
   A234       2.19064   0.00002   0.00009  -0.00004   0.00005   2.19069
   A235       2.12914   0.00002  -0.00001   0.00004   0.00004   2.12918
   A236       1.96305  -0.00004  -0.00008   0.00001  -0.00007   1.96298
   A237       2.12200   0.00005  -0.00030   0.00008  -0.00022   2.12178
   A238       2.12599  -0.00006  -0.00009  -0.00011  -0.00020   2.12579
   A239       2.03385   0.00001   0.00029   0.00003   0.00033   2.03418
   A240       1.83351   0.00006  -0.00010   0.00133   0.00123   1.83474
   A241       2.53918  -0.00002  -0.00003  -0.00156  -0.00160   2.53759
   A242       1.91284   0.00003  -0.00005  -0.00014  -0.00021   1.91263
   A243       1.91764   0.00002   0.00001   0.00012   0.00011   1.91775
   A244       1.91649  -0.00001   0.00005  -0.00004   0.00004   1.91652
   A245       1.90862   0.00003  -0.00015  -0.00016  -0.00030   1.90832
   A246       1.90884  -0.00004   0.00002   0.00010   0.00011   1.90895
   A247       1.89930  -0.00003   0.00013   0.00014   0.00026   1.89956
   A248       1.28893   0.00003   0.00075   0.00058   0.00133   1.29026
   A249       1.90424   0.00010   0.00017  -0.00013   0.00004   1.90428
   A250       1.90853   0.00004  -0.00014   0.00015   0.00003   1.90856
   A251       1.92800  -0.00002   0.00003  -0.00010  -0.00008   1.92792
   A252       1.91082  -0.00005  -0.00015   0.00001  -0.00015   1.91068
   A253       1.89830  -0.00004  -0.00003   0.00010   0.00008   1.89838
   A254       1.91381  -0.00004   0.00012  -0.00003   0.00008   1.91390
   A255       1.72282   0.00003  -0.00019  -0.00041  -0.00062   1.72221
   A256       1.76188   0.00003  -0.00039   0.00081   0.00043   1.76231
   A257       2.19066   0.00002  -0.00009  -0.00011  -0.00022   2.19043
   A258       2.13037  -0.00002   0.00011  -0.00011   0.00000   2.13037
   A259       1.96193   0.00001  -0.00003   0.00023   0.00022   1.96215
   A260       2.12412  -0.00001  -0.00004  -0.00042  -0.00046   2.12366
   A261       2.12366   0.00002   0.00009  -0.00019  -0.00014   2.12353
   A262       2.03487  -0.00002  -0.00009   0.00060   0.00055   2.03542
   A263       1.35685   0.00001   0.00066  -0.00216  -0.00149   1.35536
   A264       1.90063   0.00005   0.00003   0.00009   0.00013   1.90076
   A265       1.93084  -0.00005  -0.00011   0.00007  -0.00004   1.93080
   A266       1.90873   0.00002  -0.00009  -0.00022  -0.00029   1.90844
   A267       1.89640   0.00000  -0.00010   0.00006  -0.00004   1.89636
   A268       1.91447   0.00000   0.00014  -0.00015  -0.00002   1.91445
   A269       1.91266  -0.00002   0.00013   0.00014   0.00026   1.91292
   A270       2.68052   0.00000   0.00122   0.00048   0.00169   2.68221
   A271       1.68288  -0.00001  -0.00121  -0.00027  -0.00147   1.68141
   A272       1.92444  -0.00001  -0.00010   0.00001  -0.00009   1.92435
   A273       1.91189   0.00007  -0.00006  -0.00005  -0.00010   1.91179
   A274       1.91506  -0.00001   0.00024  -0.00015   0.00010   1.91516
   A275       1.89417  -0.00001  -0.00010   0.00040   0.00030   1.89447
   A276       1.91079   0.00002  -0.00001  -0.00008  -0.00010   1.91069
   A277       1.90728  -0.00005   0.00002  -0.00012  -0.00010   1.90717
   A278       1.82074  -0.00003   0.00171   0.00041   0.00212   1.82286
   A279       1.73775   0.00011  -0.00247  -0.00045  -0.00292   1.73483
   A280       2.19090  -0.00004   0.00013  -0.00015  -0.00002   2.19088
   A281       2.13095  -0.00003   0.00006   0.00016   0.00022   2.13117
   A282       1.96124   0.00007  -0.00019  -0.00001  -0.00020   1.96103
   A283       2.12343  -0.00004   0.00007   0.00018   0.00024   2.12367
   A284       2.11651  -0.00005   0.00007   0.00029   0.00037   2.11688
   A285       2.04069   0.00009  -0.00006  -0.00048  -0.00054   2.04015
   A286       2.72105  -0.00001   0.00298  -0.00077   0.00222   2.72327
   A287       1.63722  -0.00001  -0.00316   0.00076  -0.00239   1.63483
   A288       1.92652  -0.00001  -0.00002  -0.00027  -0.00027   1.92624
   A289       1.91424   0.00001  -0.00012   0.00019   0.00008   1.91432
   A290       1.91194   0.00002  -0.00011   0.00026   0.00015   1.91209
   A291       1.89044   0.00003   0.00004  -0.00037  -0.00035   1.89009
   A292       1.91257   0.00002   0.00006  -0.00004   0.00001   1.91258
   A293       1.90793  -0.00006   0.00014   0.00024   0.00038   1.90831
   A294       1.35791   0.00000   0.00033   0.00239   0.00273   1.36064
   A295       1.15005   0.00001  -0.00013  -0.00145  -0.00158   1.14847
   A296       1.93398  -0.00001   0.00026  -0.00015   0.00011   1.93409
   A297       1.90758   0.00006   0.00002   0.00012   0.00014   1.90772
   A298       1.90119  -0.00004  -0.00021   0.00009  -0.00012   1.90107
   A299       1.90980  -0.00002   0.00012  -0.00011   0.00001   1.90980
   A300       1.89825   0.00000   0.00008  -0.00018  -0.00011   1.89815
   A301       1.91293   0.00001  -0.00026   0.00024  -0.00003   1.91290
   A302       1.63110   0.00000  -0.00133  -0.00433  -0.00566   1.62545
   A303       1.81723  -0.00003   0.00092   0.00173   0.00266   1.81989
   A304       2.18840   0.00000  -0.00009  -0.00006  -0.00014   2.18826
   A305       2.13123   0.00000   0.00011   0.00003   0.00015   2.13138
   A306       1.96320   0.00000  -0.00003   0.00001  -0.00003   1.96317
   A307       2.12504   0.00007  -0.00018   0.00029   0.00012   2.12516
   A308       2.12340   0.00007   0.00009  -0.00035  -0.00026   2.12314
   A309       2.03108  -0.00014   0.00005  -0.00014  -0.00010   2.03098
   A310       1.30109  -0.00005  -0.00056   0.00186   0.00130   1.30238
   A311       3.05135  -0.00008   0.00060  -0.00135  -0.00074   3.05060
   A312       1.91274  -0.00008  -0.00005   0.00022   0.00017   1.91291
   A313       1.92821   0.00001  -0.00007  -0.00017  -0.00024   1.92797
   A314       1.90226   0.00005  -0.00004   0.00070   0.00067   1.90293
   A315       1.90992   0.00011  -0.00009  -0.00045  -0.00054   1.90939
   A316       1.91274  -0.00002   0.00003  -0.00003  -0.00001   1.91273
   A317       1.89784  -0.00007   0.00021  -0.00026  -0.00005   1.89779
   A318       1.77878   0.00004  -0.00135   0.00144   0.00008   1.77886
   A319       1.91579  -0.00006   0.00003  -0.00014  -0.00010   1.91569
   A320       1.91288   0.00006  -0.00022   0.00023   0.00002   1.91290
   A321       1.92152   0.00000   0.00025  -0.00032  -0.00007   1.92145
   A322       1.90627   0.00005   0.00004  -0.00028  -0.00024   1.90603
   A323       1.91097  -0.00003  -0.00011   0.00032   0.00020   1.91117
   A324       1.89622  -0.00003   0.00000   0.00019   0.00019   1.89641
   A325       2.93094   0.00001  -0.00164   0.00153  -0.00013   2.93081
   A326       3.38226   0.00001   0.00191   0.00125   0.00318   3.38544
   A327       3.09760   0.00001   0.00146   0.00109   0.00257   3.10017
   A328       3.20274  -0.00001   0.00087   0.00055   0.00142   3.20416
   A329       3.26951   0.00000   0.00079  -0.00202  -0.00123   3.26828
   A330       3.26771  -0.00002   0.00045   0.00229   0.00274   3.27044
   A331       3.68975   0.00001  -0.00146   0.00175   0.00029   3.69004
   A332       3.25988  -0.00002   0.00492   0.00379   0.00870   3.26858
   A333       2.94917  -0.00005  -0.00365  -0.00192  -0.00556   2.94361
   A334       2.89140  -0.00003  -0.00240  -0.00149  -0.00389   2.88751
   A335       3.22689   0.00001  -0.00003  -0.00057  -0.00060   3.22629
   A336       3.07634   0.00003  -0.00040   0.00056   0.00016   3.07650
   A337       3.10342   0.00001   0.00016  -0.00062  -0.00047   3.10295
   A338       3.05249   0.00002   0.00075   0.00073   0.00148   3.05397
    D1        2.75920  -0.00001   0.00012   0.00024   0.00036   2.75956
    D2       -1.35876  -0.00001   0.00017   0.00088   0.00105  -1.35771
    D3        2.78380  -0.00001   0.00015   0.00072   0.00086   2.78466
    D4       -1.33416  -0.00001   0.00020   0.00136   0.00155  -1.33261
    D5        1.65827   0.00004  -0.00038  -0.00057  -0.00094   1.65733
    D6       -2.45968   0.00004  -0.00033   0.00007  -0.00026  -2.45994
    D7        1.83750   0.00000  -0.00072  -0.00067  -0.00138   1.83611
    D8       -2.28046   0.00000  -0.00067  -0.00003  -0.00070  -2.28116
    D9        0.25900  -0.00004  -0.00798  -0.00290  -0.01089   0.24811
   D10        2.42423  -0.00004  -0.00793  -0.00226  -0.01021   2.41403
   D11       -0.00867  -0.00003  -0.00523  -0.00264  -0.00787  -0.01654
   D12        2.15656  -0.00003  -0.00518  -0.00200  -0.00718   2.14938
   D13       -0.47608   0.00002  -0.00477  -0.00307  -0.00784  -0.48392
   D14        1.68915   0.00002  -0.00472  -0.00243  -0.00715   1.68199
   D15       -0.58232   0.00001  -0.00291  -0.00212  -0.00503  -0.58735
   D16        1.58291   0.00001  -0.00286  -0.00149  -0.00434   1.57857
   D17        0.19082  -0.00004  -0.00258  -0.00188  -0.00446   0.18636
   D18        2.35605  -0.00004  -0.00253  -0.00124  -0.00377   2.35228
   D19        0.13305  -0.00002  -0.00133  -0.00146  -0.00279   0.13026
   D20        2.29828  -0.00002  -0.00128  -0.00082  -0.00210   2.29618
   D21        2.38333  -0.00001  -0.00216  -0.00048  -0.00265   2.38068
   D22       -1.73463  -0.00001  -0.00211   0.00016  -0.00196  -1.73658
   D23        2.14489  -0.00002  -0.00148  -0.00012  -0.00161   2.14328
   D24       -1.97307  -0.00002  -0.00143   0.00052  -0.00092  -1.97399
   D25        1.69673  -0.00001  -0.00235  -0.00033  -0.00268   1.69404
   D26       -2.42123  -0.00001  -0.00230   0.00031  -0.00200  -2.42323
   D27        1.38839   0.00000  -0.00261  -0.00035  -0.00297   1.38542
   D28       -2.72956   0.00000  -0.00256   0.00029  -0.00229  -2.73185
   D29        2.36565   0.00002   0.00011   0.00027   0.00038   2.36602
   D30       -1.75231   0.00002   0.00016   0.00091   0.00106  -1.75124
   D31       -1.74214  -0.00004   0.00118   0.00101   0.00220  -1.73995
   D32        0.42309  -0.00004   0.00123   0.00165   0.00289   0.42597
   D33       -2.09362   0.00003   0.00119   0.00003   0.00123  -2.09240
   D34        0.07161   0.00003   0.00124   0.00067   0.00192   0.07352
   D35       -2.46949   0.00001   0.00093   0.00058   0.00151  -2.46798
   D36       -0.30426   0.00001   0.00098   0.00121   0.00220  -0.30207
   D37       -2.75835   0.00001   0.00107   0.00003   0.00110  -2.75725
   D38       -0.59312   0.00001   0.00112   0.00067   0.00179  -0.59133
   D39       -2.11854   0.00000   0.00158  -0.00120   0.00040  -2.11814
   D40        0.04669   0.00000   0.00163  -0.00056   0.00109   0.04778
   D41       -2.36099  -0.00001   0.00155  -0.00167  -0.00011  -2.36111
   D42       -0.19576  -0.00001   0.00160  -0.00104   0.00058  -0.19519
   D43        1.26319   0.00001   0.00020  -0.00012   0.00007   1.26326
   D44       -1.95396   0.00000  -0.00248  -0.00315  -0.00564  -1.95960
   D45        2.45140   0.00001  -0.00040  -0.00110  -0.00149   2.44991
   D46       -0.76575   0.00000  -0.00307  -0.00413  -0.00720  -0.77295
   D47        2.93430   0.00001  -0.00077  -0.00133  -0.00209   2.93221
   D48       -0.28286   0.00001  -0.00345  -0.00436  -0.00780  -0.29065
   D49        2.88151  -0.00003   0.00124   0.00344   0.00476   2.88627
   D50       -0.33565  -0.00003  -0.00144   0.00041  -0.00094  -0.33659
   D51        1.99901  -0.00005  -0.00704  -0.00248  -0.00961   1.98940
   D52       -1.21815  -0.00006  -0.00972  -0.00551  -0.01532  -1.23346
   D53        1.08012   0.00005  -0.00881  -0.00694  -0.01572   1.06440
   D54       -2.13703   0.00004  -0.01149  -0.00997  -0.02143  -2.15846
   D55        0.98529   0.00003  -0.00335  -0.00357  -0.00689   0.97839
   D56       -2.23187   0.00002  -0.00603  -0.00660  -0.01260  -2.24447
   D57        2.01061  -0.00003  -0.00152  -0.00116  -0.00269   2.00793
   D58       -1.20654  -0.00004  -0.00420  -0.00419  -0.00840  -1.21494
   D59        1.82117  -0.00001  -0.00058  -0.00104  -0.00161   1.81956
   D60       -1.39598  -0.00002  -0.00325  -0.00407  -0.00732  -1.40330
   D61       -2.29601   0.00000  -0.00205  -0.00115  -0.00321  -2.29922
   D62        0.77002   0.00000  -0.00473  -0.00418  -0.00892   0.76111
   D63       -2.41982   0.00000  -0.00062  -0.00054  -0.00116  -2.42098
   D64        0.64621   0.00000  -0.00330  -0.00357  -0.00687   0.63934
   D65       -2.82176   0.00001  -0.00053  -0.00041  -0.00094  -2.82270
   D66        0.24427   0.00001  -0.00321  -0.00344  -0.00665   0.23762
   D67       -2.98923   0.00000   0.00063  -0.00006   0.00056  -2.98867
   D68        0.07680   0.00000  -0.00205  -0.00309  -0.00515   0.07165
   D69       -2.13550   0.00002   0.00043  -0.00018   0.00025  -2.13525
   D70        0.93054   0.00002  -0.00225  -0.00321  -0.00546   0.92507
   D71       -0.15223  -0.00004   0.00178  -0.00096   0.00082  -0.15141
   D72        2.91380  -0.00005  -0.00090  -0.00399  -0.00489   2.90891
   D73       -0.55213   0.00003   0.00159  -0.00122   0.00037  -0.55176
   D74        2.51391   0.00003  -0.00109  -0.00425  -0.00534   2.50856
   D75       -0.71915   0.00000   0.00140   0.00003   0.00142  -0.71772
   D76        2.34689   0.00000  -0.00128  -0.00300  -0.00428   2.34260
   D77       -1.05766   0.00001   0.00127   0.00019   0.00146  -1.05620
   D78        2.00837   0.00001  -0.00141  -0.00284  -0.00425   2.00412
   D79       -0.83701   0.00000   0.00176  -0.00210  -0.00033  -0.83734
   D80        2.22902   0.00000  -0.00092  -0.00513  -0.00604   2.22298
   D81       -1.14058   0.00000   0.00164  -0.00203  -0.00038  -1.14097
   D82        1.92545   0.00000  -0.00104  -0.00506  -0.00609   1.91935
   D83       -1.53104   0.00003   0.00044  -0.00007   0.00037  -1.53067
   D84       -2.61027   0.00000   0.00014  -0.00055  -0.00039  -2.61066
   D85       -2.94516  -0.00004   0.00039   0.00008   0.00048  -2.94468
   D86        0.72832  -0.00002  -0.00127   0.00046  -0.00083   0.72750
   D87        0.29829  -0.00003  -0.00203  -0.00014  -0.00217   0.29613
   D88       -0.09980  -0.00001  -0.00499  -0.00132  -0.00632  -0.10612
   D89       -0.42894   0.00001  -0.00372  -0.00126  -0.00497  -0.43391
   D90        0.18592  -0.00003   0.00018   0.00026   0.00045   0.18637
   D91       -0.04759  -0.00002   0.00085   0.00051   0.00137  -0.04622
   D92        2.39012  -0.00002  -0.00165   0.00025  -0.00140   2.38873
   D93        2.04708  -0.00002  -0.00097   0.00038  -0.00059   2.04649
   D94        1.64837  -0.00001  -0.00155   0.00015  -0.00141   1.64697
   D95        1.36607   0.00000  -0.00091   0.00022  -0.00070   1.36536
   D96        2.05938   0.00002   0.00033   0.00061   0.00094   2.06033
   D97       -1.87600  -0.00007   0.00280   0.00130   0.00413  -1.87187
   D98       -2.41899   0.00003   0.00291  -0.00044   0.00248  -2.41651
   D99       -2.63976   0.00000   0.00197   0.00059   0.00256  -2.63720
   D100      -2.97068   0.00000   0.00167   0.00089   0.00256  -2.96812
   D101      -2.88929   0.00000   0.00399  -0.00266   0.00132  -2.88797
   D102       2.85308   0.00004   0.00305  -0.00220   0.00083   2.85391
   D103      -2.84014   0.00002   0.00848   0.00150   0.01000  -2.83014
   D104       1.25767   0.00003   0.00855   0.00150   0.01007   1.26774
   D105       2.85167   0.00000   0.00628   0.00006   0.00637   2.85805
   D106       0.66630   0.00001   0.00636   0.00006   0.00644   0.67275
   D107       2.31132   0.00003   0.00157  -0.00422  -0.00273   2.30859
   D108       0.12595   0.00004   0.00164  -0.00422  -0.00266   0.12329
   D109       1.70479  -0.00004  -0.00472  -0.00683  -0.01171   1.69308
   D110      -0.48058  -0.00004  -0.00464  -0.00683  -0.01164  -0.49222
   D111       2.61545   0.00000   0.00378  -0.00043   0.00336   2.61881
   D112       0.43008   0.00001   0.00386  -0.00043   0.00343   0.43351
   D113       2.27240   0.00000   0.00293  -0.00076   0.00216   2.27456
   D114       0.08703   0.00000   0.00301  -0.00077   0.00223   0.08926
   D115      -1.61004  -0.00004   0.00010   0.00031   0.00044  -1.60959
   D116       2.48778  -0.00003   0.00017   0.00031   0.00051   2.48829
   D117      -1.76975  -0.00001   0.00025  -0.00016   0.00011  -1.76964
   D118       2.32806   0.00000   0.00032  -0.00016   0.00019   2.32825
   D119      -2.73445   0.00002   0.00004  -0.00011  -0.00008  -2.73453
   D120       1.36336   0.00003   0.00011  -0.00011   0.00000   1.36336
   D121      -2.69141   0.00000   0.00062  -0.00016   0.00045  -2.69096
   D122       1.40640   0.00001   0.00069  -0.00017   0.00052   1.40692
   D123       1.34596   0.00000   0.00264  -0.00061   0.00205   1.34801
   D124      -0.83941   0.00000   0.00272  -0.00061   0.00212  -0.83729
   D125       1.32374  -0.00001   0.00347   0.00004   0.00352   1.32726
   D126      -0.86163   0.00000   0.00354   0.00004   0.00359  -0.85804
   D127       1.68502  -0.00001   0.00405   0.00035   0.00441   1.68943
   D128      -0.50035   0.00000   0.00413   0.00035   0.00448  -0.49587
   D129       1.80626   0.00001   0.00350   0.00081   0.00431   1.81057
   D130      -0.37911   0.00001   0.00358   0.00081   0.00438  -0.37473
   D131       0.92889  -0.00002   0.00414   0.00051   0.00465   0.93355
   D132      -1.25648  -0.00001   0.00421   0.00051   0.00472  -1.25175
   D133      -0.94149   0.00005   0.00122   0.00051   0.00170  -0.93979
   D134      -3.12687   0.00005   0.00129   0.00051   0.00177  -3.12509
   D135      -0.52177  -0.00004   0.00059   0.00024   0.00083  -0.52095
   D136      -2.70714  -0.00003   0.00066   0.00024   0.00090  -2.70625
   D137      -0.24973  -0.00003  -0.00141  -0.00155  -0.00293  -0.25266
   D138      -2.43510  -0.00002  -0.00134  -0.00156  -0.00286  -2.43796
   D139       0.14910  -0.00004  -0.00224  -0.00193  -0.00415   0.14496
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   D142      -2.48286   0.00001   0.00121   0.00085   0.00207  -2.48079
   D143      -0.04126   0.00001   0.00193   0.00096   0.00293  -0.03833
   D144      -2.22663   0.00001   0.00201   0.00096   0.00300  -2.22363
   D145      -2.42350  -0.00001   0.00628   0.00291   0.00918  -2.41431
   D146      -2.65494  -0.00001   0.00863   0.00406   0.01269  -2.64225
   D147      -2.29833  -0.00004   0.01235   0.00768   0.01999  -2.27833
   D148       3.06358   0.00001   0.00790   0.00269   0.01060   3.07418
   D149       2.67980  -0.00001   0.00813   0.00183   0.00996   2.68977
   D150       1.51229  -0.00003  -0.00050   0.00064   0.00016   1.51245
   D151       2.61463   0.00002  -0.00042   0.00032  -0.00012   2.61451
   D152       2.99386   0.00003   0.00007   0.00025   0.00030   2.99416
   D153       1.20331   0.00003   0.00301  -0.00119   0.00180   1.20511
   D154       1.26825   0.00001   0.00311   0.00017   0.00327   1.27152
   D155       1.66470   0.00000   0.00363   0.00083   0.00446   1.66916
   D156       1.73205   0.00001   0.00245   0.00127   0.00372   1.73577
   D157       0.91851  -0.00002   0.00298   0.00083   0.00380   0.92231
   D158      -0.96038   0.00005   0.00319   0.00302   0.00621  -0.95416
   D159      -0.63572  -0.00002   0.00323   0.00300   0.00624  -0.62948
   D160      -0.68452   0.00001   0.00225   0.00211   0.00436  -0.68015
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   D162      -0.25203   0.00000   0.00372   0.00335   0.00708  -0.24495
   D163       0.02463  -0.00001   0.00345   0.00325   0.00671   0.03133
   D164      -1.24320   0.00001   0.00549   0.00005   0.00554  -1.23766
   D165       1.70230   0.00001   0.00521   0.00143   0.00665   1.70894
   D166      -1.61401   0.00001   0.00554   0.00015   0.00569  -1.60832
   D167       1.33148   0.00001   0.00527   0.00153   0.00679   1.33828
   D168      -1.68982   0.00003   0.00606   0.00016   0.00623  -1.68359
   D169       1.25567   0.00003   0.00578   0.00154   0.00733   1.26301
   D170      -1.95402   0.00000   0.00549  -0.00026   0.00526  -1.94876
   D171       0.99148   0.00000   0.00522   0.00112   0.00636   0.99784
   D172      -1.96604   0.00001   0.00522  -0.00011   0.00510  -1.96094
   D173       0.97946   0.00001   0.00494   0.00126   0.00621   0.98567
   D174      -2.26996   0.00000   0.00507  -0.00034   0.00473  -2.26524
   D175       0.67554   0.00000   0.00480   0.00104   0.00583   0.68137
   D176       1.97243   0.00001  -0.00060  -0.00122  -0.00181   1.97062
   D177      -1.36526   0.00001  -0.00087   0.00016  -0.00070  -1.36596
   D178       0.82709   0.00002  -0.00065  -0.00126  -0.00190   0.82519
   D179      -2.51060   0.00002  -0.00092   0.00011  -0.00080  -2.51140
   D180       0.36408   0.00003  -0.00058  -0.00152  -0.00209   0.36199
   D181      -2.97360   0.00003  -0.00086  -0.00014  -0.00099  -2.97459
   D182      -3.08738  -0.00001   0.00301  -0.00106   0.00196  -3.08542
   D183      -0.14188  -0.00001   0.00274   0.00031   0.00306  -0.13882
   D184       2.93344  -0.00002   0.00320  -0.00067   0.00254   2.93598
   D185      -0.40425  -0.00002   0.00293   0.00070   0.00364  -0.40061
   D186       3.09085  -0.00001   0.00352  -0.00015   0.00338   3.09423
   D187      -0.24684   0.00000   0.00324   0.00123   0.00448  -0.24236
   D188       2.98984   0.00003   0.00253   0.00030   0.00285   2.99269
   D189      -0.34784   0.00003   0.00226   0.00167   0.00395  -0.34389
   D190       2.48887  -0.00002   0.00341  -0.00067   0.00275   2.49162
   D191      -0.84881  -0.00002   0.00314   0.00071   0.00386  -0.84496
   D192       0.38231   0.00004   0.00447   0.00272   0.00717   0.38948
   D193      -2.95538   0.00004   0.00420   0.00410   0.00828  -2.94710
   D194       0.68930  -0.00003   0.00445   0.00247   0.00690   0.69620
   D195      -2.64839  -0.00002   0.00418   0.00385   0.00801  -2.64038
   D196       0.51388   0.00002   0.00643   0.00362   0.00998   0.52386
   D197      -2.82381   0.00002   0.00615   0.00500   0.01109  -2.81272
   D198       1.13801  -0.00001   0.00322   0.00161   0.00481   1.14283
   D199      -2.19967   0.00000   0.00295   0.00298   0.00592  -2.19375
   D200       1.46174  -0.00001   0.00276   0.00105   0.00382   1.46556
   D201      -1.87595  -0.00001   0.00249   0.00243   0.00493  -1.87103
   D202       1.59590   0.00002  -0.00192  -0.00062  -0.00254   1.59336
   D203      -0.61728   0.00002  -0.00157  -0.00077  -0.00234  -0.61962
   D204       1.66105   0.00000  -0.00263  -0.00076  -0.00338   1.65767
   D205      -0.55213   0.00000  -0.00228  -0.00090  -0.00318  -0.55531
   D206       1.33295   0.00002  -0.00345  -0.00141  -0.00485   1.32811
   D207      -0.88023   0.00002  -0.00309  -0.00156  -0.00464  -0.88487
   D208       1.16196   0.00000  -0.00403  -0.00236  -0.00636   1.15559
   D209      -1.05123   0.00000  -0.00368  -0.00250  -0.00616  -1.05738
   D210       2.08982  -0.00001  -0.00296  -0.00047  -0.00343   2.08639
   D211      -0.12336  -0.00002  -0.00260  -0.00062  -0.00322  -0.12658
   D212       2.20275   0.00002  -0.00341  -0.00013  -0.00355   2.19920
   D213      -0.01044   0.00001  -0.00305  -0.00028  -0.00334  -0.01378
   D214      -2.20369   0.00003   0.00278   0.00206   0.00482  -2.19887
   D215       1.86631   0.00002   0.00313   0.00192   0.00503   1.87133
   D216      -2.37965   0.00002   0.00144   0.00216   0.00360  -2.37606
   D217       1.69035   0.00002   0.00179   0.00201   0.00380   1.69415
   D218      -1.99668  -0.00002   0.00061   0.00336   0.00397  -1.99271
   D219       2.07332  -0.00002   0.00096   0.00321   0.00418   2.07750
   D220      -2.13392   0.00000  -0.00328   0.00349   0.00021  -2.13371
   D221       1.93608   0.00000  -0.00293   0.00334   0.00042   1.93650
   D222      -2.87569   0.00003   0.00119   0.00181   0.00301  -2.87268
   D223       1.19431   0.00002   0.00154   0.00167   0.00322   1.19753
   D224       3.06955   0.00001   0.00085   0.00144   0.00230   3.07185
   D225       0.85637   0.00001   0.00120   0.00130   0.00250   0.85887
   D226      -2.71183   0.00003   0.00033   0.00037   0.00071  -2.71112
   D227       1.35818   0.00002   0.00069   0.00022   0.00091   1.35909
   D228      -2.64563   0.00000   0.00159   0.00031   0.00190  -2.64373
   D229       1.42437  -0.00001   0.00194   0.00016   0.00210   1.42647
   D230      -1.56350   0.00006   0.00038   0.00012   0.00051  -1.56299
   D231       2.50651   0.00005   0.00073  -0.00002   0.00071   2.50722
   D232      -0.10186  -0.00002  -0.00183  -0.00320  -0.00505  -0.10692
   D233      -2.31504  -0.00003  -0.00148  -0.00335  -0.00485  -2.31989
   D234      -0.23133   0.00001  -0.00186  -0.00205  -0.00391  -0.23524
   D235      -2.44451   0.00001  -0.00151  -0.00220  -0.00371  -2.44822
   D236       0.05332   0.00000  -0.00168  -0.00136  -0.00305   0.05027
   D237      -2.15986  -0.00001  -0.00133  -0.00151  -0.00284  -2.16270
   D238      -0.04794   0.00000  -0.00176  -0.00011  -0.00187  -0.04981
   D239      -2.26112   0.00000  -0.00140  -0.00026  -0.00166  -2.26279
   D240      -0.62020   0.00001  -0.00178  -0.00160  -0.00337  -0.62357
   D241      -2.83338   0.00001  -0.00142  -0.00174  -0.00316  -2.83655
   D242      -0.80392   0.00003  -0.00099  -0.00154  -0.00253  -0.80646
   D243      -3.01710   0.00002  -0.00064  -0.00169  -0.00233  -3.01943
   D244      -2.93969   0.00001  -0.00063  -0.00085  -0.00148  -2.94117
   D245      -0.03744   0.00001  -0.00249  -0.00110  -0.00359  -0.04104
   D246      -3.13553  -0.00001  -0.00136  -0.00091  -0.00227  -3.13780
   D247      -0.23329  -0.00001  -0.00323  -0.00116  -0.00438  -0.23767
   D248       2.75863   0.00001  -0.00185  -0.00152  -0.00335   2.75528
   D249      -0.62231   0.00001  -0.00371  -0.00177  -0.00547  -0.62777
   D250       2.52085  -0.00001  -0.00191  -0.00187  -0.00376   2.51709
   D251      -0.86009  -0.00001  -0.00377  -0.00212  -0.00587  -0.86596
   D252      -2.91255  -0.00002  -0.00203  -0.00069  -0.00273  -2.91528
   D253      -0.01031  -0.00002  -0.00390  -0.00094  -0.00484  -0.01515
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   D256      -0.63034   0.00001   0.00246   0.00165   0.00409  -0.62625
   D257       2.27190   0.00001   0.00060   0.00140   0.00198   2.27388
   D258      -0.88791   0.00000   0.00120   0.00149   0.00269  -0.88523
   D259       2.01433   0.00000  -0.00067   0.00124   0.00057   2.01490
   D260      -0.73704  -0.00001  -0.00038   0.00154   0.00116  -0.73588
   D261       2.16521  -0.00001  -0.00224   0.00129  -0.00095   2.16425
   D262      -0.95079   0.00002  -0.00176   0.00078  -0.00098  -0.95177
   D263       1.95145   0.00002  -0.00363   0.00053  -0.00309   1.94836
   D264      -1.29655   0.00001   0.00119   0.00154   0.00274  -1.29380
   D265       1.60570   0.00001  -0.00067   0.00129   0.00063   1.60633
   D266      -1.53921   0.00000   0.00065   0.00128   0.00193  -1.53728
   D267       1.36304   0.00000  -0.00122   0.00103  -0.00018   1.36285
   D268       1.98195   0.00001   0.00053   0.00025   0.00078   1.98273
   D269      -1.39899   0.00001  -0.00134   0.00000  -0.00134  -1.40033
   D270       0.86475   0.00001   0.00088   0.00018   0.00106   0.86581
   D271      -2.51619   0.00001  -0.00099  -0.00007  -0.00105  -2.51724
   D272       0.86786   0.00001  -0.00772  -0.00609  -0.01379   0.85407
   D273      -2.51308   0.00001  -0.00958  -0.00634  -0.01590  -2.52898
   D274       1.07876  -0.00002  -0.00420  -0.00268  -0.00689   1.07187
   D275      -2.30218  -0.00002  -0.00606  -0.00294  -0.00900  -2.31118
   D276       1.55302  -0.00003  -0.00271  -0.00196  -0.00468   1.54834
   D277      -1.82792  -0.00003  -0.00457  -0.00221  -0.00679  -1.83471
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   D279      -1.83499  -0.00002  -0.00415  -0.00062  -0.00478  -1.83977
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   D282       0.76420   0.00002  -0.00173  -0.00095  -0.00268   0.76151
   D283      -2.61674   0.00002  -0.00360  -0.00120  -0.00480  -2.62154
   D284       1.55249  -0.00001  -0.00343  -0.00211  -0.00553   1.54696
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   D291      -3.00735   0.00000  -0.00401  -0.00315  -0.00716  -3.01451
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   D299      -0.19678   0.00001   0.00086   0.00045   0.00131  -0.19546
   D300      -1.87614  -0.00001   0.00082   0.00117   0.00199  -1.87415
   D301       0.18709  -0.00002   0.00035   0.00067   0.00101   0.18811
   D302      -1.82166   0.00000  -0.00020   0.00072   0.00052  -1.82114
   D303       0.24157   0.00000  -0.00067   0.00021  -0.00046   0.24111
   D304      -2.61381   0.00003   0.00033   0.00079   0.00113  -2.61269
   D305      -0.55058   0.00003  -0.00014   0.00029   0.00015  -0.55043
   D306      -2.74267   0.00002  -0.00043   0.00056   0.00012  -2.74255
   D307      -0.67944   0.00001  -0.00090   0.00005  -0.00086  -0.68030
   D308       1.52539   0.00003   0.00006  -0.00096  -0.00089   1.52450
   D309      -2.69456   0.00003  -0.00041  -0.00146  -0.00187  -2.69643
   D310       2.62838   0.00001   0.00045  -0.00075  -0.00030   2.62808
   D311      -1.59157   0.00001  -0.00002  -0.00126  -0.00128  -1.59285
   D312       3.01990  -0.00003   0.00140  -0.00069   0.00072   3.02062
   D313      -1.20005  -0.00003   0.00093  -0.00120  -0.00026  -1.20031
   D314      -0.51163   0.00001  -0.00390  -0.00393  -0.00784  -0.51947
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   D316      -0.34943  -0.00002  -0.00365  -0.00281  -0.00647  -0.35590
   D317       1.71380  -0.00002  -0.00412  -0.00332  -0.00744   1.70636
   D318       0.07847  -0.00002  -0.00356  -0.00269  -0.00626   0.07220
   D319       2.14170  -0.00002  -0.00403  -0.00320  -0.00724   2.13446
   D320       0.21272  -0.00002  -0.00377  -0.00157  -0.00534   0.20738
   D321       2.27595  -0.00002  -0.00424  -0.00207  -0.00632   2.26963
   D322      -0.59477   0.00000  -0.00341  -0.00212  -0.00553  -0.60031
   D323       1.46846   0.00000  -0.00388  -0.00262  -0.00651   1.46195
   D324      -0.63535   0.00001  -0.00263  -0.00227  -0.00491  -0.64025
   D325       1.42789   0.00001  -0.00311  -0.00278  -0.00588   1.42200
   D326       0.09589  -0.00001  -0.00010   0.00346   0.00335   0.09924
   D327       2.26627  -0.00002  -0.00021   0.00242   0.00220   2.26847
   D328       0.39694   0.00003  -0.00055   0.00332   0.00276   0.39970
   D329       2.56732   0.00002  -0.00066   0.00228   0.00161   2.56893
   D330       0.77029   0.00000   0.00004   0.00413   0.00416   0.77445
   D331       2.94067  -0.00001  -0.00007   0.00309   0.00301   2.94368
   D332       1.05091   0.00002   0.00005   0.00440   0.00443   1.05535
   D333      -3.06189   0.00002  -0.00006   0.00336   0.00328  -3.05861
   D334       0.32274   0.00005  -0.00161   0.00259   0.00096   0.32370
   D335       2.49312   0.00005  -0.00171   0.00155  -0.00019   2.49293
   D336       0.71036   0.00006  -0.00277   0.00348   0.00068   0.71104
   D337       2.88074   0.00005  -0.00288   0.00243  -0.00047   2.88027
   D338      -2.32443  -0.00001  -0.00049   0.00187   0.00142  -2.32301
   D339      -0.15405  -0.00002  -0.00060   0.00083   0.00027  -0.15378
   D340      -1.94866   0.00000  -0.00049   0.00179   0.00133  -1.94733
   D341       0.22172   0.00000  -0.00059   0.00074   0.00018   0.22190
   D342      -1.88696   0.00002   0.00103   0.00272   0.00378  -1.88317
   D343       0.28343   0.00001   0.00092   0.00168   0.00263   0.28606
   D344      -1.57763  -0.00001   0.00219   0.00395   0.00617  -1.57146
   D345       0.59275  -0.00002   0.00209   0.00291   0.00502   0.59778
   D346      -1.59145  -0.00002  -0.00167   0.00071  -0.00093  -1.59238
   D347       0.57893  -0.00002  -0.00177  -0.00033  -0.00208   0.57685
   D348      -1.29013   0.00000  -0.00155   0.00078  -0.00076  -1.29088
   D349       0.88026  -0.00001  -0.00165  -0.00026  -0.00191   0.87835
   D350       1.87548   0.00002   0.00060   0.00449   0.00512   1.88060
   D351      -2.23732   0.00002   0.00050   0.00345   0.00397  -2.23335
   D352       2.32554   0.00003   0.00218   0.00525   0.00744   2.33298
   D353      -1.78727   0.00002   0.00207   0.00420   0.00629  -1.78097
   D354       2.62784  -0.00001   0.00681   0.00817   0.01496   2.64280
   D355      -1.48497  -0.00002   0.00670   0.00713   0.01381  -1.47115
   D356      -3.02520  -0.00009   0.00683   0.00587   0.01261  -3.01259
   D357      -0.85482  -0.00010   0.00672   0.00483   0.01146  -0.84336
   D358       2.63001  -0.00001   0.00079   0.00379   0.00458   2.63459
   D359      -1.48280  -0.00002   0.00069   0.00274   0.00343  -1.47936
   D360       1.64320  -0.00002   0.00033   0.00181   0.00214   1.64534
   D361      -2.46961  -0.00003   0.00022   0.00076   0.00099  -2.46861
   D362       1.81832   0.00000   0.00045   0.00122   0.00167   1.81998
   D363      -2.29449  -0.00001   0.00034   0.00017   0.00052  -2.29397
   D364       2.75265   0.00001   0.00011   0.00103   0.00114   2.75379
   D365      -1.36015   0.00000   0.00001  -0.00002  -0.00001  -1.36017
   D366       2.75200  -0.00001  -0.00039   0.00203   0.00164   2.75364
   D367      -1.36080  -0.00002  -0.00050   0.00099   0.00049  -1.36031
   D368       0.06112   0.00000  -0.00120   0.00334   0.00214   0.06326
   D369      -2.39600   0.00000   0.00196  -0.00302  -0.00107  -2.39706
   D370       0.46096   0.00002  -0.00113   0.00331   0.00217   0.46314
   D371      -1.99615   0.00001   0.00202  -0.00306  -0.00104  -1.99719
   D372       0.67889   0.00000  -0.00051   0.00387   0.00335   0.68224
   D373      -1.77822   0.00000   0.00265  -0.00250   0.00014  -1.77808
   D374       0.95025   0.00003  -0.00031   0.00382   0.00349   0.95374
   D375      -1.50686   0.00002   0.00284  -0.00254   0.00028  -1.50658
   D376       0.69875   0.00000  -0.00173   0.00312   0.00139   0.70014
   D377      -1.75836   0.00000   0.00143  -0.00324  -0.00182  -1.76018
   D378       1.04119   0.00001  -0.00161   0.00338   0.00178   1.04297
   D379      -1.41592   0.00001   0.00155  -0.00299  -0.00143  -1.41735
   D380      -2.70659   0.00003   0.00396   0.00444   0.00837  -2.69822
   D381       1.11948   0.00003   0.00712  -0.00193   0.00516   1.12464
   D382      -2.18092   0.00003   0.00171   0.00284   0.00455  -2.17637
   D383       1.64515   0.00003   0.00487  -0.00353   0.00134   1.64649
   D384      -1.94067   0.00001   0.00215   0.00285   0.00500  -1.93568
   D385       1.88540   0.00000   0.00531  -0.00352   0.00178   1.88718
   D386      -1.61329  -0.00002   0.00199   0.00293   0.00491  -1.60838
   D387       2.21278  -0.00003   0.00515  -0.00344   0.00170   2.21448
   D388      -1.72266  -0.00001  -0.00303  -0.00073  -0.00369  -1.72636
   D389       2.10341  -0.00001   0.00013  -0.00710  -0.00691   2.09651
   D390      -1.16070  -0.00002  -0.00434  -0.00174  -0.00609  -1.16679
   D391       2.66538  -0.00003  -0.00118  -0.00811  -0.00931   2.65607
   D392       1.80103   0.00001  -0.00033   0.00277   0.00244   1.80347
   D393      -0.65608   0.00001   0.00282  -0.00360  -0.00077  -0.65685
   D394       2.10873   0.00003   0.00030   0.00319   0.00349   2.11222
   D395      -0.34838   0.00002   0.00346  -0.00318   0.00028  -0.34810
   D396       2.07268   0.00003   0.00161   0.00411   0.00573   2.07841
   D397      -0.38443   0.00002   0.00476  -0.00225   0.00252  -0.38191
   D398       2.30273   0.00000   0.00440   0.00485   0.00926   2.31199
   D399      -0.15438  -0.00001   0.00756  -0.00152   0.00605  -0.14833
   D400       2.50172   0.00001  -0.00035   0.00289   0.00254   2.50426
   D401       0.04461   0.00001   0.00280  -0.00348  -0.00067   0.04393
   D402      -1.53688  -0.00003  -0.00004   0.00068   0.00064  -1.53624
   D403       2.28920  -0.00003   0.00312  -0.00569  -0.00257   2.28662
   D404      -2.63274  -0.00001   0.00001   0.00073   0.00075  -2.63200
   D405       1.19333  -0.00001   0.00317  -0.00563  -0.00246   1.19087
   D406      -2.98377  -0.00001  -0.00050   0.00122   0.00073  -2.98304
   D407       0.84230  -0.00002   0.00266  -0.00515  -0.00249   0.83982
   D408       1.91574  -0.00001  -0.00028   0.00214   0.00184   1.91759
   D409       2.41284   0.00002  -0.00066   0.00262   0.00195   2.41478
   D410       2.64915   0.00000   0.00028   0.00247   0.00274   2.65190
   D411       2.88210   0.00002   0.00057   0.00198   0.00253   2.88464
   D412       2.83934  -0.00001  -0.00222   0.00404   0.00183   2.84117
   D413      -2.93707   0.00001  -0.00038   0.00358   0.00322  -2.93384
   D414      -0.72232   0.00002   0.00362   0.00193   0.00557  -0.71675
   D415      -0.34481   0.00002   0.00341   0.00177   0.00520  -0.33962
   D416      -0.02327   0.00000   0.00460   0.00260   0.00722  -0.01605
   D417       0.28329  -0.00003   0.00445   0.00252   0.00696   0.29026
   D418      -0.22631   0.00002   0.00194   0.00059   0.00255  -0.22376
   D419       0.07386   0.00002   0.00097  -0.00037   0.00061   0.07447
   D420      -2.53836   0.00001   0.00255   0.00142   0.00398  -2.53438
   D421      -2.15655   0.00002   0.00260   0.00138   0.00397  -2.15257
   D422      -1.89829   0.00000   0.00401   0.00188   0.00588  -1.89240
   D423      -1.57910  -0.00002   0.00460   0.00174   0.00633  -1.57277
   D424      -1.95564  -0.00001   0.00126   0.00097   0.00222  -1.95342
   D425       1.30694   0.00002   0.00048  -0.00164  -0.00117   1.30577
   D426       2.47586  -0.00001   0.00083  -0.00074   0.00010   2.47595
   D427       2.95269  -0.00001   0.00099  -0.00094   0.00005   2.95274
   D428      -3.06211   0.00009   0.00093   0.00134   0.00226  -3.05985
   D429       0.02182   0.00010  -0.00109   0.00140   0.00031   0.02213
   D430       0.05146   0.00000   0.00088   0.00184   0.00272   0.05418
   D431       3.13539   0.00001  -0.00113   0.00191   0.00078   3.13617
   D432      -0.10383  -0.00003  -0.00186  -0.00153  -0.00339  -0.10722
   D433       1.99378   0.00004  -0.00208  -0.00175  -0.00382   1.98996
   D434      -2.20099   0.00000  -0.00188  -0.00154  -0.00342  -2.20441
   D435       3.09253  -0.00004   0.00006  -0.00159  -0.00153   3.09101
   D436      -1.09304   0.00003  -0.00016  -0.00180  -0.00196  -1.09500
   D437       0.99537  -0.00001   0.00004  -0.00159  -0.00155   0.99382
   D438      -2.36748   0.00001   0.00087  -0.00204  -0.00117  -2.36865
   D439      -0.27801   0.00004   0.00071  -0.00202  -0.00131  -0.27931
   D440       1.82978   0.00000   0.00078  -0.00202  -0.00124   1.82855
   D441       0.71921   0.00002  -0.00106  -0.00198  -0.00304   0.71617
   D442       2.80868   0.00005  -0.00123  -0.00196  -0.00318   2.80551
   D443      -1.36671   0.00002  -0.00115  -0.00196  -0.00311  -1.36982
   D444       0.00482   0.00000   0.00074   0.00005   0.00079   0.00561
   D445       3.11012   0.00002  -0.00078  -0.00003  -0.00079   3.10933
   D446      -3.11400  -0.00004   0.00096  -0.00014   0.00082  -3.11318
   D447      -0.00870  -0.00001  -0.00056  -0.00022  -0.00076  -0.00946
   D448       2.41505   0.00003  -0.00155   0.00175   0.00021   2.41525
   D449      -1.78509   0.00004  -0.00172   0.00193   0.00021  -1.78488
   D450       0.32319   0.00000  -0.00169   0.00200   0.00032   0.32352
   D451      -0.69202   0.00001  -0.00011   0.00184   0.00173  -0.69029
   D452       1.39103   0.00002  -0.00028   0.00202   0.00174   1.39277
   D453      -2.78387  -0.00003  -0.00025   0.00210   0.00185  -2.78202
   D454       2.05077  -0.00001  -0.00049  -0.00095  -0.00145   2.04933
   D455      -2.14897   0.00000  -0.00070  -0.00049  -0.00121  -2.15018
   D456      -0.05520  -0.00002  -0.00056  -0.00076  -0.00134  -0.05654
   D457      -1.12534   0.00001  -0.00193  -0.00105  -0.00298  -1.12832
   D458       0.95810   0.00002  -0.00214  -0.00058  -0.00274   0.95536
   D459       3.05187   0.00000  -0.00200  -0.00086  -0.00287   3.04900
   D460      -3.08131  -0.00001   0.00045   0.00029   0.00074  -3.08058
   D461      -0.01889  -0.00002   0.00163   0.00014   0.00177  -0.01712
   D462       0.07530  -0.00008   0.00087   0.00020   0.00107   0.07637
   D463       3.13773  -0.00008   0.00204   0.00006   0.00210   3.13983
   D464       1.91594  -0.00001  -0.00197   0.00097  -0.00100   1.91494
   D465      -2.28566   0.00003  -0.00201   0.00046  -0.00154  -2.28721
   D466      -0.19156  -0.00003  -0.00197   0.00103  -0.00094  -0.19250
   D467      -1.14977   0.00001  -0.00310   0.00108  -0.00202  -1.15179
   D468       0.93182   0.00004  -0.00314   0.00057  -0.00257   0.92925
   D469       3.02592  -0.00002  -0.00310   0.00114  -0.00196   3.02396
   D470      -1.64081   0.00002  -0.00021  -0.00227  -0.00248  -1.64329
   D471       0.46515   0.00003   0.00011  -0.00242  -0.00231   0.46284
   D472       2.55479   0.00005  -0.00033  -0.00201  -0.00234   2.55244
   D473       1.42522   0.00001   0.00091  -0.00239  -0.00147   1.42375
   D474      -2.75201   0.00002   0.00123  -0.00253  -0.00130  -2.75331
   D475      -0.66237   0.00004   0.00079  -0.00213  -0.00133  -0.66370
   D476       0.01215  -0.00003   0.00040   0.00178   0.00218   0.01433
   D477      -3.03418  -0.00001   0.00095   0.00430   0.00524  -3.02894
   D478       3.12521  -0.00002   0.00040   0.00110   0.00149   3.12671
   D479       0.07888   0.00000   0.00094   0.00362   0.00456   0.08344
   D480      -0.29763  -0.00003   0.00057   0.00564   0.00621  -0.29142
   D481       1.80818   0.00006   0.00039   0.00511   0.00549   1.81367
   D482      -2.39077   0.00001   0.00058   0.00512   0.00571  -2.38506
   D483       2.75348  -0.00004   0.00005   0.00323   0.00328   2.75676
   D484      -1.42390   0.00005  -0.00013   0.00270   0.00257  -1.42133
   D485       0.66033   0.00001   0.00007   0.00271   0.00279   0.66312
   D486      -0.08749  -0.00006   0.00133  -0.00451  -0.00318  -0.09067
   D487       2.00611   0.00001   0.00127  -0.00480  -0.00353   2.00258
   D488      -2.19230   0.00001   0.00129  -0.00461  -0.00332  -2.19562
   D489      -3.13869  -0.00006   0.00186  -0.00214  -0.00028  -3.13897
   D490      -1.04509   0.00001   0.00180  -0.00243  -0.00063  -1.04572
   D491       1.03969   0.00002   0.00182  -0.00224  -0.00043   1.03927
         Item               Value     Threshold  Converged?
 Maximum Force            0.000512     0.000450     NO 
 RMS     Force            0.000039     0.000300     YES
 Maximum Displacement     0.042247     0.001800     NO 
 RMS     Displacement     0.005038     0.001200     NO 
 Predicted change in Energy=-3.887769D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:06:40 2016, MaxMem=  2952790016 cpu:        11.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.788049   -0.585947    1.648337
      2          6           0       -2.064144    1.133926   -1.370345
      3          8           0       -2.601727    0.157109   -1.920534
      4          7           0       -0.771754    1.191287   -0.948621
      5          1           0       -2.624599    2.063683   -1.146245
      6          6           0       -0.254290    2.350372   -0.219090
      7          1           0       -1.018881    3.139105   -0.190668
      8          1           0        0.007370    2.058698    0.810433
      9          1           0        0.648663    2.734470   -0.720432
     10          6           0        0.152075    0.069020   -1.135457
     11          1           0        0.722276   -0.086939   -0.206501
     12          1           0       -0.420190   -0.838081   -1.370338
     13          1           0        0.858933    0.283849   -1.953707
     14          6           0       -2.067695   -3.950642    2.695564
     15          8           0       -2.220985   -3.755811    3.913392
     16          7           0       -2.976074   -3.653020    1.727202
     17          1           0       -1.133241   -4.378837    2.281362
     18          6           0       -4.270853   -3.043117    2.047093
     19          1           0       -4.493267   -2.264653    1.299522
     20          1           0       -5.073668   -3.798641    2.019123
     21          1           0       -4.223590   -2.593066    3.046599
     22          6           0       -2.691392   -3.882363    0.309835
     23          1           0       -3.396567   -4.620321   -0.106566
     24          1           0       -2.803913   -2.936853   -0.246649
     25          1           0       -1.663010   -4.251836    0.193022
     26          6           0        1.606075    0.356528    2.574826
     27          8           0        1.466207    1.381975    3.262309
     28          7           0        1.211230   -0.895777    2.933025
     29          1           0        2.068261    0.380944    1.568133
     30          6           0        1.485648   -2.059644    2.088087
     31          1           0        2.244960   -2.705930    2.559731
     32          1           0        0.563036   -2.648888    1.956569
     33          1           0        1.846270   -1.724210    1.105853
     34          6           0        0.577187   -1.152212    4.228605
     35          1           0        1.325755   -1.465033    4.976388
     36          1           0        0.075539   -0.239080    4.574167
     37          1           0       -0.162309   -1.957151    4.110556
     38          6           0       -4.602931    1.013848    2.878968
     39          8           0       -4.842144    1.573360    1.795509
     40          7           0       -3.548400    1.293443    3.695324
     41          1           0       -5.235419    0.191793    3.270049
     42          6           0       -2.570441    2.333785    3.363656
     43          1           0       -2.652387    2.590423    2.299684
     44          1           0       -2.745932    3.236041    3.972586
     45          1           0       -1.558460    1.955702    3.575292
     46          6           0       -3.265127    0.490968    4.885771
     47          1           0       -4.060938   -0.252440    5.030591
     48          1           0       -2.300064   -0.029923    4.760189
     49          1           0       -3.202278    1.140218    5.773697
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485202   0.000000
     3  O    3.735109   1.243332   0.000000
     4  N    3.306903   1.360667   2.315802   0.000000
     5  H    3.940818   1.108503   2.057929   2.057466   0.000000
     6  C    3.802850   2.465908   3.635351   1.464057   2.561284
     7  H    4.224875   2.550481   3.793433   2.104652   2.155920
     8  H    3.304506   3.146771   4.228665   2.110381   3.279615
     9  H    4.751189   3.216123   4.318340   2.109755   3.368310
    10  C    3.455803   2.469985   2.864879   1.465555   3.418877
    11  H    3.160881   3.257174   3.747861   2.101602   4.087771
    12  H    3.323704   2.567372   2.460126   2.102327   3.651010
    13  H    4.553875   3.099568   3.463139   2.119618   3.994346
    14  C    3.534977   6.510336   6.202191   6.434204   7.158335
    15  O    3.919942   7.200833   7.034955   7.086128   7.722004
    16  N    3.290070   5.774189   5.288023   5.957043   6.407880
    17  H    3.900707   6.677732   6.355091   6.449011   7.448403
    18  C    3.515822   5.830621   5.363720   6.256850   6.243955
    19  H    3.202800   4.957738   4.451024   5.554037   5.311139
    20  H    4.610225   6.698951   6.105681   7.225880   7.098193
    21  H    3.451887   6.169528   5.904770   6.496021   6.466995
    22  C    3.670691   5.327251   4.615183   5.568720   6.122099
    23  H    4.684356   6.040186   5.171662   6.432222   6.808288
    24  H    3.185861   4.287330   3.523545   4.654458   5.083974
    25  H    3.946178   5.622406   4.978664   5.632519   6.527179
    26  C    3.642351   5.444192   6.160651   4.331924   5.887219
    27  O    4.131320   5.829785   6.701510   4.772500   6.052666
    28  N    3.277513   5.776397   6.261328   4.832725   6.333437
    29  H    3.976486   5.126246   5.833496   3.880256   5.676477
    30  C    3.616940   5.895818   6.139191   4.988588   6.660095
    31  H    4.646518   6.982719   7.194451   6.049578   7.758613
    32  H    3.142982   5.681559   5.737705   4.996872   6.480494
    33  H    3.846844   5.439838   5.699390   4.424368   6.277639
    34  C    3.545812   6.599341   7.044978   5.840830   7.034375
    35  H    4.641605   7.650296   8.100863   6.823584   8.095911
    36  H    3.486224   6.465339   7.036039   5.767585   6.731759
    37  H    3.253576   6.573585   6.840680   5.989938   7.061441
    38  C    3.463720   4.951416   5.270108   5.418473   4.606332
    39  O    3.743229   4.234739   4.564450   4.923850   3.716428
    40  N    3.289544   5.281048   5.807349   5.411693   4.988734
    41  H    3.888340   5.698935   5.820626   6.222577   5.461136
    42  C    3.475527   4.909864   5.715029   4.810022   4.518307
    43  H    3.355691   3.992058   4.871737   4.005727   3.486066
    44  H    4.574633   5.781923   6.650525   5.683017   5.252769
    45  H    3.197787   5.038885   5.876005   4.655000   4.841614
    46  C    3.717860   6.402714   6.846703   6.383376   6.266493
    47  H    4.088630   6.846983   7.114433   6.975246   6.751356
    48  H    3.202334   6.244490   6.690145   6.034699   6.274908
    49  H    4.690233   7.234136   7.779997   7.148399   7.005148
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098867   0.000000
     8  H    1.101570   1.795181   0.000000
     9  H    1.101906   1.795851   1.792058   0.000000
    10  C    2.491873   3.418946   2.786799   2.742894   0.000000
    11  H    2.625705   3.665957   2.479719   2.868779   1.101096
    12  H    3.393984   4.191427   3.651013   3.785227   1.097948
    13  H    2.918678   3.845385   3.393482   2.751495   1.102421
    14  C    7.175405   7.726245   6.631123   7.983630   5.980116
    15  O    7.630909   8.113459   6.957186   8.475313   6.763994
    16  N    6.872909   7.324055   6.508850   7.741424   5.642137
    17  H    7.232363   7.914763   6.701230   7.923704   5.754140
    18  C    7.096344   7.335037   6.772078   8.077211   6.275055
    19  H    6.447757   6.594894   6.259897   7.450562   5.740588
    20  H    8.126892   8.334074   7.847694   9.106688   7.226241
    21  H    7.131455   7.321737   6.673857   8.143218   6.612317
    22  C    6.713138   7.235247   6.544472   7.483307   5.078149
    23  H    7.647034   8.115981   7.552282   8.416273   5.970041
    24  H    5.869931   6.332988   5.828917   6.656474   4.308494
    25  H    6.763393   7.428871   6.556997   7.415301   4.871261
    26  C    3.904143   4.720284   2.926828   4.174921   3.995369
    27  O    4.002255   4.602849   2.932210   4.284839   4.774007
    28  N    4.756160   5.568763   3.831918   5.181015   4.313373
    29  H    3.530871   4.497919   2.763374   3.576572   3.328432
    30  C    5.272447   6.204223   4.558338   5.618884   4.086669
    31  H    6.287630   7.237526   5.546939   6.550235   5.072960
    32  H    5.513086   6.372907   4.876859   6.012836   4.137213
    33  H    4.771797   5.791536   4.216541   4.964816   3.333082
    34  C    5.722013   6.363396   4.724249   6.293200   5.517725
    35  H    6.636780   7.307111   5.613376   7.109714   6.409796
    36  H    5.457963   5.942520   4.410229   6.099446   5.718443
    37  H    6.108114   6.723546   5.200639   6.782878   5.632483
    38  C    5.504085   5.175403   5.159983   6.595109   6.294315
    39  O    5.070578   4.584080   4.972295   6.150373   5.982961
    40  N    5.224070   4.990578   4.642383   6.260255   6.207188
    41  H    6.453309   6.200193   6.084561   7.550600   6.960506
    42  C    4.266251   3.960946   3.638644   5.215645   5.725668
    43  H    3.486074   3.028406   3.094334   4.476469   5.101242
    44  H    4.956091   4.508302   4.354999   5.813713   6.672374
    45  H    4.031620   3.984224   3.179131   4.891943   5.355059
    46  C    6.211452   6.150486   5.456683   7.195871   6.936173
    47  H    6.987443   6.929519   6.300970   8.011007   7.474822
    48  H    5.885934   6.016240   5.028634   6.809850   6.386033
    49  H    6.787386   6.658560   5.981591   7.716546   7.754712
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795539   0.000000
    13  H    1.791337   1.798667   0.000000
    14  C    5.579796   5.379021   6.936266   0.000000
    15  O    6.252753   6.298714   7.760644   1.242803   0.000000
    16  N    5.489438   4.904200   6.614779   1.360683   2.315200
    17  H    5.296489   5.136176   6.606452   1.108205   2.057880
    18  C    6.224870   5.600770   7.306833   2.469417   2.862334
    19  H    5.849139   5.074762   6.761982   3.267245   3.770826
    20  H    7.233471   6.473655   8.224710   3.084891   3.424600
    21  H    6.428446   6.087294   7.688416   2.571793   2.472596
    22  C    5.130787   4.153190   5.923323   2.466853   3.636333
    23  H    6.125880   4.976070   6.750710   3.172744   4.276614
    24  H    4.534053   3.368925   5.167534   3.197875   4.279770
    25  H    4.816178   3.955049   5.616144   2.552882   3.794539
    26  C    2.951871   4.593164   4.590328   5.662409   5.774901
    27  O    3.839763   5.472528   5.364838   6.422341   6.357369
    28  N    3.278706   4.602585   5.039422   4.487754   4.573949
    29  H    2.275942   4.038938   3.724950   6.094249   6.403953
    30  C    3.120807   4.133417   4.713897   4.070767   4.466301
    31  H    4.102404   5.102678   5.588467   4.490740   4.783232
    32  H    3.356755   3.913318   4.896810   3.026785   3.578437
    33  H    2.380397   3.471828   3.790520   4.775281   5.343430
    34  C    4.563553   5.695753   6.353159   4.144494   3.835082
    35  H    5.396819   6.612285   7.162592   4.784967   4.353963
    36  H    4.826613   5.995138   6.595476   4.679561   4.251828
    37  H    4.787187   5.599912   6.545250   3.099468   2.740839
    38  C    6.252175   6.243522   7.329367   5.577386   5.430778
    39  O    6.142264   5.949060   6.944187   6.246781   6.305233
    40  N    5.947131   6.323766   7.235705   5.540075   5.225375
    41  H    6.903493   6.766111   8.027280   5.246359   5.008421
    42  C    5.426593   6.090567   6.651105   6.339805   6.124337
    43  H    4.983732   5.496035   5.978377   6.579067   6.562381
    44  H    6.366744   7.110161   7.538663   7.330703   7.011780
    45  H    4.865809   5.793111   6.261686   5.993174   5.759742
    46  C    6.493427   6.999924   7.989320   5.094973   4.480054
    47  H    7.094622   7.387145   8.559974   4.806461   4.111832
    48  H    5.814275   6.463003   7.426582   4.437197   3.821722
    49  H    7.257466   7.917759   8.771521   6.056323   5.328675
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056682   0.000000
    18  C    1.466548   3.418134   0.000000
    19  H    2.100558   4.089445   1.101969   0.000000
    20  H    2.122810   3.991536   1.102774   1.791036   0.000000
    21  H    2.102524   3.650318   1.097175   1.798015   1.797707
    22  C    1.463752   2.561492   2.493410   2.615955   2.933242
    23  H    2.115464   3.298963   2.808949   2.954489   2.829555
    24  H    2.106804   3.355787   2.724786   2.386716   3.320871
    25  H    2.106282   2.158229   3.420442   3.630921   3.895204
    26  C    6.147441   5.478472   6.809873   6.760100   7.886266
    27  O    6.887786   6.395807   7.346567   7.257117   8.435298
    28  N    5.156541   4.248873   5.953921   6.089617   6.982963
    29  H    6.460920   5.780470   7.220662   7.079900   8.287308
    30  C    4.751426   3.503511   5.840051   6.034176   6.786272
    31  H    5.371153   3.779993   6.544639   6.869246   7.419473
    32  H    3.685946   2.444498   4.850783   5.113271   5.753110
    33  H    5.230812   4.160091   6.328083   6.365478   7.281680
    34  C    5.013654   4.138651   5.642518   5.960415   6.619484
    35  H    5.818096   4.669056   6.511001   6.929628   7.425884
    36  H    5.391896   4.884229   5.756722   5.974967   6.761143
    37  H    4.058771   3.186412   4.724122   5.172394   5.646824
    38  C    5.074730   6.440260   4.154668   3.640776   4.911312
    39  O    5.549948   7.029984   4.658490   3.885623   5.381636
    40  N    5.354302   6.325112   4.695141   4.392344   5.573635
    41  H    4.718856   6.220613   3.590356   3.235413   4.185039
    42  C    6.219675   6.949547   5.791012   5.394770   6.758740
    43  H    6.277985   7.132933   5.866857   5.287809   6.838235
    44  H    7.249405   7.965386   6.742458   6.360510   7.662971
    45  H    6.073123   6.479309   5.889029   5.621709   6.920319
    46  C    5.218501   5.919703   4.643203   4.686465   5.467106
    47  H    4.863461   5.758196   4.090624   4.261078   4.761313
    48  H    4.773137   5.139953   4.508241   4.666945   5.423058
    49  H    6.276976   6.851080   5.703484   5.768712   6.480067
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.391134   0.000000
    23  H    3.838773   1.102381   0.000000
    24  H    3.602660   1.102871   1.790231   0.000000
    25  H    4.177438   1.098965   1.797429   1.795591   0.000000
    26  C    6.550394   6.447216   7.548862   6.185069   6.131633
    27  O    6.944154   7.329119   8.427541   7.014199   7.138091
    28  N    5.694818   5.570572   6.659064   5.513410   5.199231
    29  H    7.114632   6.512557   7.594841   6.167600   6.105405
    30  C    5.813663   4.892049   5.933766   4.961937   4.279138
    31  H    6.487828   5.550999   6.526933   5.781022   4.823211
    32  H    4.909488   3.850259   4.880730   4.034035   3.261108
    33  H    6.431532   5.087401   6.111036   4.992391   4.420091
    34  C    5.149821   5.787408   6.827314   5.885973   5.559864
    35  H    5.982622   6.614958   7.621849   6.819130   6.291230
    36  H    5.133928   6.254114   7.291094   6.229726   6.190250
    37  H    4.246221   4.954612   5.944495   5.188750   4.781711
    38  C    3.630679   5.850411   6.489422   5.349205   6.601884
    39  O    4.393967   6.049618   6.638469   5.354140   6.826988
    40  N    3.997709   6.243794   7.032071   5.829993   6.824289
    41  H    2.971392   5.642135   6.159493   5.297907   6.478892
    42  C    5.206466   6.926828   7.815659   6.392843   7.365240
    43  H    5.467643   6.771852   7.637976   6.087492   7.227268
    44  H    6.084358   8.005648   8.876105   7.477294   8.457312
    45  H    5.298464   6.784522   7.757499   6.332099   7.069951
    46  C    3.716514   6.355658   7.146047   6.189056   6.861695
    47  H    3.072655   6.110444   6.775703   6.052722   6.719174
    48  H    3.634012   5.899159   6.779335   5.811414   6.252152
    49  H    4.734718   7.439161   8.234018   7.281880   7.911228
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242472   0.000000
    28  N    1.361057   2.315511   0.000000
    29  H    1.107991   2.057854   2.056076   0.000000
    30  C    2.467652   3.636471   1.464177   2.562472   0.000000
    31  H    3.128426   4.220313   2.117688   3.247042   1.103036
    32  H    3.240786   4.332266   2.108796   3.405358   1.102595
    33  H    2.558328   3.800412   2.104313   2.166715   1.098794
    34  C    2.463715   2.854152   1.465025   3.413500   2.496107
    35  H    3.027237   3.326146   2.124265   3.946536   2.953203
    36  H    2.587403   2.506541   2.101045   3.659455   3.388724
    37  H    3.292227   3.810689   2.097547   4.111697   2.610871
    38  C    6.251106   6.092365   6.119972   6.828152   6.866050
    39  O    6.608142   6.479462   6.635805   7.016213   7.302415
    40  N    5.357419   5.034047   5.294134   6.074905   6.258438
    41  H    6.878699   6.806495   6.546424   7.501735   7.186010
    42  C    4.687758   4.148583   4.991647   5.343692   6.114013
    43  H    4.816688   4.398842   5.242351   5.263219   6.228261
    44  H    5.402341   4.656626   5.814786   6.091750   7.035758
    45  H    3.684096   3.094467   4.026737   4.434146   5.253701
    46  C    5.393250   5.080850   5.076814   6.282026   6.074744
    47  H    6.206179   6.028886   5.710465   7.068017   6.533676
    48  H    4.492558   4.292074   4.051841   5.425891   5.058806
    49  H    5.828139   5.306625   5.629720   6.785414   6.767532
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787715   0.000000
    33  H    1.799024   1.795950   0.000000
    34  C    2.825004   2.720733   3.418966   0.000000
    35  H    2.867925   3.332050   3.913968   1.103354   0.000000
    36  H    3.853529   3.591190   4.167769   1.097667   1.796603
    37  H    2.959843   2.375771   3.621725   1.099417   1.790581
    38  C    7.799505   6.399506   7.227247   5.774683   6.759685
    39  O    8.314048   6.860706   7.488957   6.535889   7.575804
    40  N    7.130749   5.955598   6.701795   4.825566   5.745233
    41  H    8.053410   6.589141   7.648864   6.042480   6.978944
    42  C    7.016631   6.051909   6.408770   4.775759   5.675585
    43  H    7.218240   6.156870   6.346590   5.306430   6.279895
    44  H    7.887470   7.045991   7.342381   5.510483   6.299710
    45  H    6.101489   5.321960   5.588565   3.827131   4.688623
    46  C    6.781716   5.752717   6.732100   4.230282   4.991027
    47  H    7.203409   6.047620   7.243257   4.792178   5.521755
    48  H    5.714917   4.787130   5.780732   3.133798   3.905490
    49  H    7.402353   6.565469   7.448594   4.682617   5.284517
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795348   0.000000
    38  C    5.131434   5.482953   0.000000
    39  O    5.932073   6.302762   1.242643   0.000000
    40  N    4.031616   4.712154   1.362588   2.315475   0.000000
    41  H    5.485676   5.573227   1.108494   2.058558   2.059252
    42  C    3.884093   4.976856   2.471472   2.863209   1.465852
    43  H    4.541029   5.491829   2.574060   2.466505   2.105424
    44  H    4.516532   5.802016   3.095576   3.449388   2.120028
    45  H    2.912863   4.188814   3.262018   3.754517   2.100681
    46  C    3.433674   4.027620   2.467870   3.634319   1.463343
    47  H    4.161603   4.353368   2.554746   3.795996   2.106036
    48  H    2.392037   2.950632   3.151452   4.221613   2.107979
    49  H    3.753055   4.647704   3.218269   4.324668   2.112561
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420380   0.000000
    43  H    3.656103   1.097550   0.000000
    44  H    3.994815   1.102569   1.795599   0.000000
    45  H    4.089569   1.100837   1.796308   1.790866   0.000000
    46  C    2.565563   2.489055   3.386888   2.939200   2.602981
    47  H    2.162465   3.418891   4.186137   3.875321   3.640904
    48  H    3.299391   2.758717   3.611707   3.389046   2.428304
    49  H    3.361759   2.762629   3.804503   2.800843   2.863588
                   46         47         48         49
    46  C    0.000000
    47  H    1.098610   0.000000
    48  H    1.103831   1.795357   0.000000
    49  H    1.101766   1.796942   1.791764   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2162116      0.1961392      0.1839273
 Leave Link  202 at Mon Nov 14 05:06:40 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.2284420976 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1852257691 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.0432163285 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4043
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.15D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     225
 GePol: Fraction of low-weight points (<1% of avg)   =       5.57%
 GePol: Cavity surface area                          =    468.419 Ang**2
 GePol: Cavity volume                                =    458.683 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040422195 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.0391741090 Hartrees.
 Leave Link  301 at Mon Nov 14 05:06:41 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37516.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   446   446   446   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:06:42 2016, MaxMem=  2952790016 cpu:        15.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:06:42 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.003277   -0.001455   -0.002537
         Rot=    1.000000    0.000152    0.000070    0.000044 Ang=   0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50866026039    
 Leave Link  401 at Mon Nov 14 05:06:49 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49037547.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   3104.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.06D-15 for   1372     16.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.99D-15 for   1938.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.82D-10 for   2516   2484.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.21D-15 for   2575.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.24D-14 for   2288    108.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2039.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.33D-16 for   2064    475.
 E= -1013.45126231360    
 DIIS: error= 2.40D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45126231360     IErMin= 1 ErrMin= 2.40D-04
 ErrMax= 2.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-04 BMatP= 1.18D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.40D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.17D-05 MaxDP=2.86D-03              OVMax= 2.17D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.17D-05    CP:  1.00D+00
 E= -1013.45143880690     Delta-E=       -0.000176493299 Rises=F Damp=F
 DIIS: error= 4.50D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45143880690     IErMin= 2 ErrMin= 4.50D-05
 ErrMax= 4.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-06 BMatP= 1.18D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.224D-01 0.978D+00
 Coeff:      0.224D-01 0.978D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.26D-05 MaxDP=9.26D-04 DE=-1.76D-04 OVMax= 9.47D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.23D-05    CP:  1.00D+00  9.54D-01
 E= -1013.45143169199     Delta-E=        0.000007114915 Rises=F Damp=F
 DIIS: error= 1.20D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45143880690     IErMin= 2 ErrMin= 4.50D-05
 ErrMax= 1.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-05 BMatP= 2.22D-06
 IDIUse=3 WtCom= 4.77D-01 WtEn= 5.23D-01
 Coeff-Com:  0.250D-02 0.701D+00 0.297D+00
 Coeff-En:   0.000D+00 0.780D+00 0.220D+00
 Coeff:      0.119D-02 0.742D+00 0.256D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=8.16D-06 MaxDP=6.88D-04 DE= 7.11D-06 OVMax= 8.08D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.42D-06    CP:  1.00D+00  9.63D-01  3.99D-01
 E= -1013.45144066300     Delta-E=       -0.000008971009 Rises=F Damp=F
 DIIS: error= 1.16D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45144066300     IErMin= 4 ErrMin= 1.16D-05
 ErrMax= 1.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-07 BMatP= 2.22D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.314D-04 0.272D+00 0.100D+00 0.628D+00
 Coeff:     -0.314D-04 0.272D+00 0.100D+00 0.628D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.74D-06 MaxDP=6.16D-05 DE=-8.97D-06 OVMax= 8.00D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.89D-07    CP:  1.00D+00  9.71D-01  3.53D-01  6.42D-01
 E= -1013.45144074714     Delta-E=       -0.000000084146 Rises=F Damp=F
 DIIS: error= 1.07D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45144074714     IErMin= 5 ErrMin= 1.07D-05
 ErrMax= 1.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.72D-08 BMatP= 1.34D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.262D-05 0.151D+00 0.536D-01 0.423D+00 0.373D+00
 Coeff:     -0.262D-05 0.151D+00 0.536D-01 0.423D+00 0.373D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=5.14D-07 MaxDP=2.82D-05 DE=-8.41D-08 OVMax= 4.12D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.20D-07    CP:  1.00D+00  9.71D-01  3.48D-01  6.62D-01  6.04D-01
 E= -1013.45144078772     Delta-E=       -0.000000040580 Rises=F Damp=F
 DIIS: error= 6.37D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45144078772     IErMin= 6 ErrMin= 6.37D-07
 ErrMax= 6.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-10 BMatP= 4.72D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-04 0.364D-01 0.129D-01 0.112D+00 0.133D+00 0.705D+00
 Coeff:     -0.157D-04 0.364D-01 0.129D-01 0.112D+00 0.133D+00 0.705D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=7.74D-08 MaxDP=4.09D-06 DE=-4.06D-08 OVMax= 3.61D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.26D-08    CP:  1.00D+00  9.71D-01  3.50D-01  6.69D-01  6.05D-01
                    CP:  8.90D-01
 E= -1013.45144078804     Delta-E=       -0.000000000319 Rises=F Damp=F
 DIIS: error= 1.87D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45144078804     IErMin= 7 ErrMin= 1.87D-07
 ErrMax= 1.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-11 BMatP= 3.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-04 0.984D-02 0.351D-02 0.328D-01 0.466D-01 0.366D+00
 Coeff-Com:  0.541D+00
 Coeff:     -0.120D-04 0.984D-02 0.351D-02 0.328D-01 0.466D-01 0.366D+00
 Coeff:      0.541D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.37D-08 MaxDP=1.48D-06 DE=-3.19D-10 OVMax= 1.20D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.82D-08    CP:  1.00D+00  9.71D-01  3.49D-01  6.69D-01  6.08D-01
                    CP:  8.94D-01  7.68D-01
 E= -1013.45144078808     Delta-E=       -0.000000000034 Rises=F Damp=F
 DIIS: error= 7.74D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45144078808     IErMin= 8 ErrMin= 7.74D-08
 ErrMax= 7.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.39D-12 BMatP= 5.91D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.547D-05 0.266D-02 0.980D-03 0.948D-02 0.154D-01 0.148D+00
 Coeff-Com:  0.304D+00 0.520D+00
 Coeff:     -0.547D-05 0.266D-02 0.980D-03 0.948D-02 0.154D-01 0.148D+00
 Coeff:      0.304D+00 0.520D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.10D-08 MaxDP=6.14D-07 DE=-3.41D-11 OVMax= 1.09D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.81D-09    CP:  1.00D+00  9.71D-01  3.49D-01  6.69D-01  6.10D-01
                    CP:  8.99D-01  7.64D-01  6.55D-01
 E= -1013.45144078810     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 8.43D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45144078810     IErMin= 8 ErrMin= 7.74D-08
 ErrMax= 8.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.30D-12 BMatP= 6.39D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.260D-05 0.554D-03 0.229D-03 0.232D-02 0.489D-02 0.599D-01
 Coeff-Com:  0.158D+00 0.431D+00 0.343D+00
 Coeff:     -0.260D-05 0.554D-03 0.229D-03 0.232D-02 0.489D-02 0.599D-01
 Coeff:      0.158D+00 0.431D+00 0.343D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=5.31D-09 MaxDP=3.30D-07 DE=-1.82D-11 OVMax= 5.75D-07

 Error on total polarization charges =  0.04311
 SCF Done:  E(RB97D) =  -1013.45144079     A.U. after    9 cycles
            NFock=  9  Conv=0.53D-08     -V/T= 2.0213
 KE= 9.923455890734D+02 PE=-6.033602501786D+03 EE= 2.176766297815D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:08:41 2016, MaxMem=  2952790016 cpu:      1279.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37516.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     370
 Leave Link  701 at Mon Nov 14 05:08:49 2016, MaxMem=  2952790016 cpu:        96.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:08:49 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:09:26 2016, MaxMem=  2952790016 cpu:       442.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21557565D+00-2.54865032D+00 3.33375415D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000349157   -0.000060123   -0.000313181
      2        6          -0.000185982    0.000076522   -0.000260752
      3        8           0.000016547   -0.000057442    0.000100766
      4        7           0.000353720    0.000155048    0.000153366
      5        1           0.000011227   -0.000037115    0.000021948
      6        6          -0.000367261   -0.000249070   -0.000309747
      7        1           0.000074929    0.000078774   -0.000040286
      8        1           0.000180115   -0.000031539    0.000232984
      9        1           0.000097967    0.000057720    0.000075983
     10        6          -0.000287875    0.000321263    0.000165061
     11        1           0.000074494   -0.000103462    0.000017440
     12        1           0.000118400   -0.000003768   -0.000031807
     13        1           0.000046894    0.000008947    0.000000549
     14        6          -0.000086989   -0.000035466   -0.000007830
     15        8           0.000050189   -0.000073341    0.000163873
     16        7          -0.000458776    0.000273484   -0.000161962
     17        1           0.000016082   -0.000038157   -0.000008338
     18        6           0.000415535    0.000064055   -0.000509664
     19        1           0.000095479   -0.000279265    0.000202673
     20        1           0.000029611   -0.000029143    0.000015574
     21        1          -0.000031126   -0.000009214    0.000067016
     22        6          -0.000249938    0.000116998    0.000246076
     23        1          -0.000009237    0.000075742   -0.000157889
     24        1          -0.000043260   -0.000029929   -0.000013936
     25        1          -0.000024899    0.000029210    0.000037609
     26        6           0.000026893   -0.000090586   -0.000166616
     27        8          -0.000084223   -0.000114776    0.000070144
     28        7          -0.000173260   -0.000350865    0.000008405
     29        1           0.000137505    0.000125518    0.000086243
     30        6          -0.000144280   -0.000012205    0.000158512
     31        1           0.000005185   -0.000008788   -0.000003481
     32        1           0.000190901    0.000236585   -0.000077171
     33        1          -0.000086273   -0.000005188   -0.000032273
     34        6          -0.000064486    0.000241065    0.000012986
     35        1           0.000026679   -0.000001210    0.000040536
     36        1          -0.000001327   -0.000072819   -0.000014318
     37        1          -0.000032829   -0.000060195    0.000005746
     38        6           0.000857895   -0.000011301    0.000964199
     39        8          -0.000140660    0.000186173   -0.000317496
     40        7          -0.000741369   -0.000181620   -0.000469689
     41        1          -0.000012155    0.000025932   -0.000067295
     42        6          -0.000163241    0.000155364    0.000115691
     43        1          -0.000048284   -0.000169145   -0.000085197
     44        1           0.000161181   -0.000106915    0.000117902
     45        1          -0.000045644   -0.000056128    0.000037590
     46        6           0.000278182   -0.000186448   -0.000262534
     47        1          -0.000058758    0.000070321    0.000085804
     48        1          -0.000050275    0.000166044    0.000043066
     49        1          -0.000022361    0.000000458    0.000063723
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000964199 RMS     0.000198488
 Leave Link  716 at Mon Nov 14 05:09:26 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000592472 RMS     0.000045654
 Search for a local minimum.
 Step number 114 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .45654D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  104  105  106  108  107
                                                    110  111  112  113  114
 DE= -3.90D-06 DEPred=-3.89D-06 R= 1.00D+00
 TightC=F SS=  1.41D+00  RLast= 1.22D-01 DXNew= 3.2027D-01 3.6478D-01
 Trust test= 1.00D+00 RLast= 1.22D-01 DXMaxT set to 3.20D-01
 ITU=  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1
 ITU=  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0
 ITU= -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00007   0.00030   0.00077   0.00094
     Eigenvalues ---    0.00098   0.00126   0.00167   0.00195   0.00207
     Eigenvalues ---    0.00244   0.00269   0.00313   0.00394   0.00440
     Eigenvalues ---    0.00530   0.00665   0.00689   0.00769   0.00842
     Eigenvalues ---    0.00851   0.00894   0.00984   0.01002   0.01084
     Eigenvalues ---    0.01152   0.01216   0.01266   0.01336   0.01429
     Eigenvalues ---    0.01461   0.01592   0.01655   0.01759   0.01768
     Eigenvalues ---    0.01801   0.01812   0.01856   0.01939   0.02012
     Eigenvalues ---    0.02095   0.02262   0.02321   0.02429   0.02469
     Eigenvalues ---    0.02515   0.02620   0.03029   0.03091   0.03237
     Eigenvalues ---    0.03594   0.04142   0.04450   0.04867   0.05483
     Eigenvalues ---    0.05621   0.05905   0.06048   0.06205   0.06292
     Eigenvalues ---    0.06559   0.06771   0.06880   0.07128   0.07375
     Eigenvalues ---    0.07533   0.07730   0.07926   0.08071   0.08103
     Eigenvalues ---    0.08398   0.08533   0.08784   0.08900   0.08949
     Eigenvalues ---    0.09304   0.09429   0.09478   0.09612   0.09907
     Eigenvalues ---    0.10016   0.10388   0.10455   0.10597   0.10876
     Eigenvalues ---    0.10877   0.11263   0.11395   0.11501   0.12764
     Eigenvalues ---    0.13338   0.13964   0.14505   0.14736   0.15106
     Eigenvalues ---    0.15452   0.16036   0.21175   0.22289   0.22932
     Eigenvalues ---    0.23848   0.24640   0.24980   0.25550   0.26280
     Eigenvalues ---    0.27040   0.27733   0.28549   0.28861   0.29395
     Eigenvalues ---    0.29669   0.30388   0.32790   0.32820   0.32834
     Eigenvalues ---    0.32934   0.33298   0.33355   0.33363   0.33389
     Eigenvalues ---    0.33410   0.33427   0.33499   0.33508   0.33729
     Eigenvalues ---    0.33809   0.33816   0.33837   0.33944   0.33973
     Eigenvalues ---    0.34071   0.34210   0.34279   0.35951   0.39191
     Eigenvalues ---    0.40800   0.47518   0.85763   0.86393   0.86748
     Eigenvalues ---    0.91752
 Eigenvalue     1 is   5.78D-06 Eigenvector:
                         D399      D381      D407      D397      D405
   1                   -0.22875  -0.22227  -0.22226  -0.22166  -0.22141
                         D403      D395      D383      D393      D401
   1                   -0.22109  -0.21969  -0.21964  -0.21889  -0.21850
 Eigenvalue     2 is   7.32D-05 Eigenvector:
                          R21       D50       D52       D49      D285
   1                    0.20720  -0.13148  -0.10931  -0.10874   0.10790
                         D323       D68       D70      D325       R15
   1                    0.10122  -0.09844  -0.09604   0.09575   0.09442
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   114  113  112  111  110
 RFO step:  Lambda=-3.06513920D-06.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC= -1.98D-05 SmlDif=  1.00D-05
 RMS Error=  0.1166424808D-03 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    0.97620   -0.14929   -0.06353    0.01044    0.22618
 Iteration  1 RMS(Cart)=  0.00172708 RMS(Int)=  0.00003511
 Iteration  2 RMS(Cart)=  0.00002462 RMS(Int)=  0.00002628
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002628
 ITry= 1 IFail=0 DXMaxC= 1.14D-02 DCOld= 1.00D+10 DXMaxT= 3.20D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58608   0.00005  -0.00037   0.00244   0.00207   6.58815
    R2        6.24914   0.00003   0.00134  -0.00098   0.00034   6.24948
    R3        7.18635   0.00000   0.00781  -0.00378   0.00403   7.19037
    R4        6.24461   0.00002   0.01345  -0.00690   0.00656   6.25117
    R5        6.53052  -0.00006  -0.00064  -0.00010  -0.00075   6.52977
    R6        5.97320   0.00001   0.00073   0.00140   0.00213   5.97532
    R7        6.68014   0.00009   0.00158   0.00259   0.00415   6.68429
    R8        6.21733  -0.00002   0.00242  -0.00226   0.00013   6.21746
    R9        6.64394  -0.00010   0.00487  -0.00469   0.00019   6.64414
   R10        6.05241  -0.00002   0.00277  -0.00047   0.00230   6.05472
   R11        6.93660  -0.00009   0.00220  -0.00264  -0.00045   6.93616
   R12        6.02041   0.00000   0.00085  -0.00164  -0.00079   6.01962
   R13        6.88305  -0.00004   0.00158  -0.00169  -0.00011   6.88294
   R14        6.19360  -0.00006  -0.00028  -0.00063  -0.00089   6.19271
   R15        6.83503  -0.00003   0.00107  -0.00050   0.00060   6.83563
   R16        5.93938  -0.00001  -0.00021   0.00049   0.00027   5.93964
   R17        6.70061  -0.00009  -0.00050  -0.00038  -0.00087   6.69974
   R18        6.54548  -0.00005   0.00290   0.00091   0.00380   6.54928
   R19        6.21634   0.00000   0.00041  -0.00006   0.00035   6.21668
   R20        6.56780  -0.00002   0.00142  -0.00233  -0.00091   6.56688
   R21        6.04294  -0.00007   0.00044   0.00147   0.00191   6.04485
   R22        7.02574  -0.00009  -0.00241   0.00040  -0.00200   7.02373
   R23        6.05154  -0.00001  -0.00267  -0.00068  -0.00335   6.04818
   R24        2.34956   0.00002   0.00001   0.00000   0.00001   2.34956
   R25        2.57129   0.00016   0.00007   0.00014   0.00023   2.57152
   R26        2.09477  -0.00005  -0.00002   0.00000  -0.00003   2.09474
   R27        2.76667  -0.00017  -0.00020  -0.00013  -0.00030   2.76637
   R28        2.76950  -0.00014  -0.00017  -0.00004  -0.00020   2.76930
   R29        2.07656   0.00001  -0.00001   0.00002   0.00001   2.07657
   R30        2.08167   0.00018   0.00013   0.00015   0.00031   2.08198
   R31        2.08230   0.00006   0.00011   0.00000   0.00011   2.08241
   R32        2.08077   0.00001   0.00009  -0.00008   0.00002   2.08079
   R33        2.07482  -0.00004   0.00000  -0.00005  -0.00006   2.07476
   R34        2.08327   0.00003   0.00004   0.00002   0.00006   2.08333
   R35        2.34856   0.00016   0.00006   0.00005   0.00011   2.34866
   R36        2.57132   0.00017  -0.00002   0.00017   0.00029   2.57161
   R37        2.09420   0.00003   0.00001   0.00005   0.00006   2.09426
   R38        2.77137  -0.00034  -0.00047  -0.00047  -0.00100   2.77037
   R39        2.76609  -0.00011  -0.00023  -0.00004  -0.00022   2.76587
   R40        2.08242  -0.00024  -0.00005  -0.00052  -0.00059   2.08183
   R41        2.08394   0.00000   0.00004  -0.00001   0.00003   2.08397
   R42        2.07336   0.00007   0.00002   0.00006   0.00008   2.07344
   R43        2.08320   0.00001   0.00002   0.00001   0.00003   2.08323
   R44        2.08412  -0.00005  -0.00005  -0.00024  -0.00033   2.08380
   R45        2.07674  -0.00003  -0.00001  -0.00003  -0.00004   2.07670
   R46        2.34793  -0.00004   0.00001   0.00005   0.00006   2.34800
   R47        2.57202   0.00007   0.00004  -0.00002   0.00001   2.57204
   R48        2.09380  -0.00001  -0.00004  -0.00002  -0.00006   2.09374
   R49        2.76689  -0.00012  -0.00017  -0.00010  -0.00030   2.76660
   R50        2.76850  -0.00002   0.00001  -0.00005  -0.00006   2.76844
   R51        2.08444   0.00001   0.00000   0.00002   0.00001   2.08445
   R52        2.08360  -0.00014  -0.00016  -0.00025  -0.00047   2.08314
   R53        2.07642   0.00000  -0.00002  -0.00002  -0.00004   2.07638
   R54        2.08504   0.00004   0.00004   0.00004   0.00008   2.08512
   R55        2.07429  -0.00005  -0.00004  -0.00009  -0.00013   2.07416
   R56        2.07760   0.00005   0.00002   0.00002   0.00003   2.07763
   R57        2.34825   0.00039   0.00014   0.00018   0.00032   2.34857
   R58        2.57492  -0.00059  -0.00044  -0.00059  -0.00106   2.57386
   R59        2.09475  -0.00003   0.00002  -0.00005  -0.00003   2.09472
   R60        2.77006   0.00001  -0.00009  -0.00002  -0.00010   2.76995
   R61        2.76532   0.00001  -0.00011   0.00014   0.00003   2.76535
   R62        2.07407   0.00006   0.00005   0.00010   0.00015   2.07422
   R63        2.08355  -0.00005  -0.00005   0.00001  -0.00004   2.08352
   R64        2.08028   0.00001  -0.00003   0.00007   0.00006   2.08034
   R65        2.07607   0.00000  -0.00002  -0.00003  -0.00005   2.07602
   R66        2.08594  -0.00010  -0.00009  -0.00021  -0.00029   2.08565
   R67        2.08204   0.00006   0.00007  -0.00002   0.00005   2.08209
    A1        0.68501   0.00001  -0.00049   0.00020  -0.00028   0.68473
    A2        0.96244   0.00004  -0.00046   0.00016  -0.00027   0.96217
    A3        0.72761  -0.00001   0.00005  -0.00016  -0.00010   0.72750
    A4        1.02013   0.00001   0.00001  -0.00016  -0.00014   1.01999
    A5        2.37465  -0.00001  -0.00181   0.00023  -0.00153   2.37312
    A6        2.04001  -0.00003  -0.00062   0.00013  -0.00048   2.03953
    A7        1.96837  -0.00002   0.00130  -0.00012   0.00118   1.96955
    A8        1.66836   0.00001   0.00214  -0.00061   0.00150   1.66986
    A9        1.67884  -0.00002  -0.00128   0.00012  -0.00118   1.67766
   A10        1.39357  -0.00003  -0.00091  -0.00003  -0.00095   1.39261
   A11        1.73802   0.00003  -0.00044   0.00040  -0.00002   1.73800
   A12        2.04727   0.00003  -0.00072   0.00013  -0.00058   2.04669
   A13        1.95851   0.00002  -0.00099  -0.00040  -0.00138   1.95713
   A14        2.05794  -0.00002  -0.00168  -0.00032  -0.00198   2.05596
   A15        2.43710   0.00002  -0.00057   0.00042  -0.00015   2.43695
   A16        1.58623   0.00005  -0.00116   0.00344   0.00227   1.58850
   A17        1.78713   0.00000  -0.00118   0.00324   0.00206   1.78919
   A18        1.56588   0.00003  -0.00092   0.00255   0.00163   1.56751
   A19        1.70661   0.00004  -0.00069   0.00249   0.00181   1.70842
   A20        2.18929   0.00001  -0.00100   0.00321   0.00220   2.19149
   A21        2.40882   0.00000  -0.00122   0.00318   0.00196   2.41078
   A22        0.64978   0.00000  -0.00089   0.00054  -0.00031   0.64946
   A23        0.66040   0.00001  -0.00011  -0.00002  -0.00013   0.66027
   A24        2.44729   0.00002  -0.00362   0.00089  -0.00269   2.44460
   A25        2.25338   0.00001  -0.00184   0.00055  -0.00128   2.25211
   A26        2.32088   0.00000   0.00050   0.00012   0.00065   2.32153
   A27        2.04400   0.00004   0.00182  -0.00057   0.00124   2.04523
   A28        1.84617   0.00002  -0.00185   0.00043  -0.00143   1.84473
   A29        1.59826   0.00001  -0.00115   0.00023  -0.00093   1.59733
   A30        1.34315   0.00000  -0.00031   0.00038   0.00008   1.34323
   A31        1.64826   0.00001  -0.00078   0.00028  -0.00049   1.64777
   A32        1.60710   0.00001  -0.00142   0.00010  -0.00131   1.60579
   A33        1.77203  -0.00002  -0.00226   0.00034  -0.00191   1.77012
   A34        2.04013   0.00000  -0.00052   0.00038  -0.00013   2.04000
   A35        1.85516   0.00003  -0.00117   0.00333   0.00216   1.85732
   A36        1.92420   0.00000  -0.00105   0.00307   0.00201   1.92621
   A37        1.57608   0.00001  -0.00081   0.00251   0.00169   1.57777
   A38        1.59480   0.00001  -0.00052   0.00238   0.00186   1.59666
   A39        2.27872  -0.00001  -0.00083   0.00269   0.00185   2.28058
   A40        2.37308  -0.00003  -0.00106   0.00236   0.00130   2.37438
   A41        0.69456  -0.00004  -0.00066   0.00028  -0.00037   0.69419
   A42        0.75194   0.00001  -0.00070   0.00014  -0.00056   0.75138
   A43        2.71972   0.00001  -0.00461   0.00132  -0.00326   2.71646
   A44        2.64081  -0.00001  -0.00274   0.00089  -0.00181   2.63900
   A45        2.64697  -0.00001   0.00127  -0.00014   0.00121   2.64818
   A46        2.33489   0.00003   0.00210  -0.00058   0.00152   2.33641
   A47        2.23141   0.00000  -0.00259   0.00074  -0.00186   2.22955
   A48        1.98919  -0.00001  -0.00180   0.00050  -0.00131   1.98788
   A49        1.10323   0.00002  -0.00070   0.00071   0.00000   1.10323
   A50        1.46700   0.00003  -0.00112   0.00079  -0.00034   1.46666
   A51        1.58006   0.00001  -0.00210   0.00080  -0.00131   1.57875
   A52        1.82685  -0.00002  -0.00286   0.00102  -0.00184   1.82500
   A53        1.78403   0.00001  -0.00044   0.00075   0.00030   1.78433
   A54        1.71692   0.00001  -0.00070   0.00284   0.00212   1.71905
   A55        1.65115   0.00003  -0.00033   0.00254   0.00219   1.65334
   A56        1.24981   0.00003  -0.00011   0.00214   0.00202   1.25182
   A57        1.21669   0.00004   0.00019   0.00205   0.00223   1.21892
   A58        1.94355   0.00001  -0.00006   0.00202   0.00195   1.94550
   A59        1.99062  -0.00001  -0.00034   0.00189   0.00153   1.99216
   A60        0.84869  -0.00001  -0.00142   0.00105  -0.00034   0.84835
   A61        0.78606   0.00001  -0.00178   0.00112  -0.00064   0.78541
   A62        2.64637   0.00000  -0.00431   0.00188  -0.00235   2.64401
   A63        2.81876   0.00002  -0.00447   0.00205  -0.00240   2.81636
   A64        2.58825   0.00006   0.00284  -0.00112   0.00176   2.59001
   A65        2.43405   0.00003  -0.00346   0.00158  -0.00187   2.43218
   A66        2.23064   0.00001  -0.00235   0.00109  -0.00124   2.22940
   A67        0.86468  -0.00001  -0.00154   0.00145  -0.00013   0.86455
   A68        1.24279   0.00001  -0.00187   0.00162  -0.00029   1.24250
   A69        1.43553  -0.00001  -0.00310   0.00197  -0.00115   1.43438
   A70        1.71503  -0.00004  -0.00368   0.00218  -0.00151   1.71352
   A71        1.52068  -0.00002  -0.00077   0.00117   0.00037   1.52105
   A72        1.73351   0.00000   0.00038   0.00134   0.00171   1.73522
   A73        1.56210   0.00002   0.00074   0.00115   0.00187   1.56397
   A74        1.13197   0.00002   0.00086   0.00097   0.00180   1.13378
   A75        1.02123   0.00002   0.00098   0.00113   0.00208   1.02331
   A76        1.77709  -0.00001   0.00084   0.00073   0.00154   1.77864
   A77        1.76635  -0.00003   0.00031   0.00093   0.00121   1.76756
   A78        2.05268   0.00004  -0.00396   0.00101  -0.00293   2.04975
   A79        1.98091   0.00003  -0.00266   0.00078  -0.00187   1.97904
   A80        2.23989   0.00000  -0.00137   0.00069  -0.00067   2.23922
   A81        2.07807   0.00002   0.00060  -0.00027   0.00032   2.07839
   A82        1.58542   0.00004  -0.00206   0.00054  -0.00153   1.58389
   A83        1.40983   0.00003  -0.00115   0.00034  -0.00081   1.40901
   A84        1.19470   0.00000   0.00052  -0.00021   0.00032   1.19502
   A85        1.38972   0.00002  -0.00020  -0.00032  -0.00051   1.38921
   A86        1.23134   0.00003  -0.00099  -0.00029  -0.00127   1.23008
   A87        1.35251   0.00000  -0.00207   0.00015  -0.00191   1.35059
   A88        1.81519   0.00002  -0.00015  -0.00030  -0.00044   1.81475
   A89        2.28486   0.00001  -0.00118   0.00336   0.00218   2.28704
   A90        2.33701  -0.00001  -0.00101   0.00296   0.00194   2.33895
   A91        1.94414   0.00000  -0.00076   0.00242   0.00164   1.94579
   A92        1.86969   0.00000  -0.00041   0.00213   0.00172   1.87141
   A93        2.62518  -0.00003  -0.00062   0.00190   0.00127   2.62645
   A94        2.56741  -0.00003  -0.00062   0.00081   0.00018   2.56759
   A95        1.96810   0.00000  -0.00387   0.00118  -0.00268   1.96542
   A96        2.03534   0.00001  -0.00278   0.00099  -0.00179   2.03354
   A97        2.40049  -0.00003  -0.00217   0.00105  -0.00111   2.39938
   A98        2.33179   0.00000   0.00013  -0.00002   0.00012   2.33190
   A99        1.69435   0.00002  -0.00177   0.00069  -0.00110   1.69325
   A100       1.59149   0.00001  -0.00079   0.00049  -0.00031   1.59118
   A101       0.88712   0.00001   0.00057  -0.00041   0.00017   0.88729
   A102       1.06805   0.00001  -0.00030  -0.00029  -0.00058   1.06747
   A103       0.94819   0.00001  -0.00124   0.00003  -0.00120   0.94699
   A104       1.12307  -0.00003  -0.00225   0.00057  -0.00168   1.12139
   A105       1.49319   0.00001  -0.00023  -0.00029  -0.00051   1.49268
   A106       2.46704   0.00002  -0.00138   0.00305   0.00167   2.46871
   A107       2.34613   0.00003  -0.00099   0.00212   0.00112   2.34726
   A108       1.91322   0.00003  -0.00087   0.00194   0.00106   1.91428
   A109       1.74275   0.00003  -0.00053   0.00160   0.00107   1.74382
   A110       2.46671   0.00000  -0.00047   0.00044  -0.00003   2.46668
   A111       2.30474  -0.00001  -0.00051  -0.00012  -0.00063   2.30410
   A112       0.71562  -0.00002  -0.00034   0.00000  -0.00032   0.71530
   A113       1.00813  -0.00005  -0.00048   0.00000  -0.00047   1.00766
   A114       0.69786   0.00001  -0.00025   0.00005  -0.00015   0.69770
   A115       0.98677   0.00002  -0.00040   0.00017  -0.00020   0.98657
   A116       1.81796   0.00000  -0.00071  -0.00043  -0.00116   1.81679
   A117       1.43669  -0.00002  -0.00056  -0.00057  -0.00116   1.43553
   A118       1.21084   0.00000  -0.00109  -0.00009  -0.00120   1.20964
   A119       0.93400   0.00004  -0.00090  -0.00011  -0.00101   0.93299
   A120       1.25053   0.00001   0.00033  -0.00106  -0.00077   1.24977
   A121       1.84427  -0.00002   0.00520  -0.00407   0.00112   1.84539
   A122       1.89349  -0.00003   0.00497  -0.00397   0.00098   1.89447
   A123       2.25958  -0.00003   0.00434  -0.00338   0.00096   2.26053
   A124       2.19406  -0.00003   0.00299  -0.00292   0.00008   2.19414
   A125       1.55711  -0.00001   0.00446  -0.00357   0.00086   1.55797
   A126       1.43512   0.00001   0.00414  -0.00342   0.00070   1.43582
   A127       0.65836  -0.00007  -0.00036   0.00002  -0.00036   0.65800
   A128       0.66196   0.00000  -0.00025   0.00024  -0.00001   0.66195
   A129       2.17926   0.00002  -0.00040  -0.00066  -0.00107   2.17819
   A130       1.80588   0.00000  -0.00023  -0.00088  -0.00111   1.80476
   A131       1.51485   0.00003  -0.00032  -0.00062  -0.00093   1.51392
   A132       1.21950   0.00005  -0.00013  -0.00066  -0.00078   1.21873
   A133       1.64542   0.00003   0.00018  -0.00116  -0.00099   1.64443
   A134       1.69975   0.00000   0.00401  -0.00309   0.00092   1.70067
   A135       1.90122  -0.00004   0.00378  -0.00318   0.00060   1.90183
   A136       2.33232  -0.00004   0.00364  -0.00302   0.00062   2.33294
   A137       2.42253  -0.00003   0.00279  -0.00299  -0.00018   2.42235
   A138       1.67669   0.00000   0.00328  -0.00277   0.00050   1.67719
   A139       1.65172   0.00002   0.00308  -0.00277   0.00030   1.65202
   A140       0.70739  -0.00006  -0.00054   0.00040  -0.00016   0.70723
   A141       0.83195  -0.00003  -0.00043   0.00039  -0.00006   0.83188
   A142       2.51503  -0.00002  -0.00139  -0.00035  -0.00174   2.51328
   A143       2.13614  -0.00003  -0.00129  -0.00041  -0.00170   2.13444
   A144       1.91837  -0.00002  -0.00112  -0.00023  -0.00134   1.91703
   A145       1.62923   0.00000  -0.00081  -0.00031  -0.00111   1.62812
   A146       1.85138   0.00000  -0.00111  -0.00057  -0.00167   1.84970
   A147       1.27511   0.00005   0.00416  -0.00313   0.00104   1.27615
   A148       1.52159   0.00000   0.00339  -0.00285   0.00054   1.52212
   A149       1.95215   0.00000   0.00340  -0.00281   0.00059   1.95274
   A150       2.13867   0.00000   0.00254  -0.00269  -0.00014   2.13853
   A151       1.39298   0.00003   0.00231  -0.00200   0.00030   1.39328
   A152       1.46885   0.00004   0.00181  -0.00182  -0.00002   1.46882
   A153       0.76948  -0.00006  -0.00029  -0.00013  -0.00045   0.76903
   A154       0.76573  -0.00003   0.00000  -0.00028  -0.00033   0.76540
   A155       2.82533  -0.00005  -0.00137  -0.00035  -0.00171   2.82362
   A156       2.44352  -0.00007  -0.00125  -0.00046  -0.00170   2.44181
   A157       2.17023  -0.00004  -0.00047  -0.00074  -0.00120   2.16903
   A158       1.87390  -0.00002  -0.00030  -0.00078  -0.00106   1.87284
   A159       2.16394  -0.00004  -0.00163  -0.00014  -0.00176   2.16218
   A160       1.15312   0.00007   0.00249  -0.00152   0.00096   1.15408
   A161       1.48592  -0.00001   0.00162  -0.00119   0.00042   1.48634
   A162       1.87961   0.00001   0.00203  -0.00146   0.00057   1.88018
   A163       2.14464   0.00000   0.00138  -0.00128   0.00010   2.14474
   A164       1.48177   0.00001   0.00044  -0.00023   0.00020   1.48197
   A165       1.63263   0.00001   0.00012  -0.00022  -0.00010   1.63252
   A166       2.15850   0.00003   0.00079  -0.00090  -0.00010   2.15839
   A167       1.85797   0.00002   0.00101  -0.00131  -0.00029   1.85768
   A168       1.47181   0.00004   0.00105  -0.00121  -0.00013   1.47168
   A169       1.19223   0.00005   0.00103  -0.00118  -0.00011   1.19212
   A170       1.86094   0.00004   0.00122  -0.00152  -0.00028   1.86067
   A171       1.92233   0.00000   0.00224  -0.00174   0.00053   1.92286
   A172       2.22469  -0.00006   0.00243  -0.00219   0.00027   2.22496
   A173       2.64454  -0.00006   0.00212  -0.00193   0.00023   2.64478
   A174       2.07131  -0.00002   0.00264  -0.00227   0.00039   2.07170
   A175       2.06113   0.00001   0.00293  -0.00264   0.00031   2.06144
   A176       2.26448   0.00002   0.00128  -0.00083   0.00047   2.26495
   A177       2.04338   0.00001   0.00141  -0.00133   0.00011   2.04349
   A178       1.63110   0.00003   0.00152  -0.00131   0.00025   1.63134
   A179       1.38220   0.00003   0.00129  -0.00119   0.00014   1.38233
   A180       2.12668   0.00004   0.00136  -0.00148  -0.00010   2.12658
   A181       1.86818   0.00003   0.00084  -0.00061   0.00026   1.86844
   A182       2.24092  -0.00005   0.00084  -0.00094  -0.00008   2.24084
   A183       2.57121  -0.00003   0.00017  -0.00038  -0.00019   2.57102
   A184       2.22058   0.00000   0.00141  -0.00130   0.00014   2.22071
   A185       2.28517   0.00001   0.00205  -0.00197   0.00010   2.28528
   A186       0.69365  -0.00001  -0.00022   0.00020  -0.00003   0.69362
   A187       0.98583  -0.00003  -0.00027   0.00016  -0.00013   0.98570
   A188       0.69918   0.00000  -0.00013   0.00004  -0.00009   0.69909
   A189       2.15006  -0.00005  -0.00207   0.00131  -0.00076   2.14930
   A190       1.76456   0.00004  -0.00165   0.00114  -0.00051   1.76405
   A191       1.43726   0.00002  -0.00193   0.00174  -0.00020   1.43706
   A192       1.13090   0.00002  -0.00172   0.00154  -0.00020   1.13071
   A193       1.64463  -0.00001  -0.00111   0.00008  -0.00103   1.64360
   A194       1.42719  -0.00001  -0.00112   0.00005  -0.00107   1.42612
   A195       0.66805  -0.00003   0.00002  -0.00013  -0.00013   0.66792
   A196       2.27586  -0.00006  -0.00075  -0.00001  -0.00075   2.27511
   A197       1.87528   0.00003  -0.00063   0.00028  -0.00035   1.87493
   A198       1.66289   0.00002  -0.00128   0.00131   0.00003   1.66293
   A199       1.34204   0.00002  -0.00119   0.00113  -0.00007   1.34197
   A200       1.62044  -0.00001  -0.00016  -0.00065  -0.00081   1.61963
   A201       1.35086  -0.00001  -0.00021  -0.00060  -0.00082   1.35004
   A202       0.71164   0.00001   0.00005   0.00001   0.00005   0.71170
   A203       2.64780  -0.00007   0.00021  -0.00105  -0.00079   2.64701
   A204       2.26722   0.00002  -0.00022  -0.00019  -0.00039   2.26683
   A205       2.07834   0.00000  -0.00148   0.00140  -0.00007   2.07827
   A206       1.75747   0.00000  -0.00137   0.00121  -0.00017   1.75731
   A207       1.95168  -0.00002   0.00046  -0.00120  -0.00074   1.95094
   A208       1.66826  -0.00001   0.00040  -0.00110  -0.00070   1.66757
   A209       0.82960   0.00002   0.00051  -0.00034   0.00015   0.82975
   A210       2.63878  -0.00003   0.00288  -0.00320  -0.00029   2.63849
   A211       2.36638   0.00003   0.00153  -0.00166  -0.00010   2.36628
   A212       2.30688  -0.00001  -0.00055   0.00059   0.00006   2.30695
   A213       1.99203  -0.00001  -0.00070   0.00057  -0.00013   1.99190
   A214       1.98441   0.00001   0.00186  -0.00218  -0.00033   1.98408
   A215       1.70951   0.00002   0.00169  -0.00197  -0.00029   1.70922
   A216       1.93619  -0.00009   0.00019  -0.00104  -0.00085   1.93534
   A217       1.56618   0.00000   0.00018  -0.00058  -0.00040   1.56577
   A218       1.49590  -0.00003  -0.00032   0.00038   0.00005   1.49596
   A219       1.20311  -0.00003  -0.00040   0.00023  -0.00018   1.20293
   A220       1.24254  -0.00003   0.00026  -0.00108  -0.00083   1.24172
   A221       0.96094  -0.00002   0.00016  -0.00097  -0.00081   0.96013
   A222       0.72830  -0.00006  -0.00031  -0.00004  -0.00036   0.72794
   A223       1.02060  -0.00007  -0.00041  -0.00012  -0.00053   1.02007
   A224       0.69814  -0.00006   0.00004  -0.00010  -0.00006   0.69808
   A225       0.98197  -0.00006   0.00011  -0.00022  -0.00010   0.98187
   A226       0.65893   0.00001  -0.00018  -0.00012  -0.00029   0.65863
   A227       0.66088   0.00000   0.00008   0.00008   0.00017   0.66106
   A228       0.70356  -0.00003  -0.00001   0.00010   0.00010   0.70367
   A229       0.84804  -0.00004  -0.00031   0.00049   0.00018   0.84822
   A230       0.75769  -0.00003  -0.00016  -0.00044  -0.00060   0.75709
   A231       0.77833  -0.00004  -0.00055   0.00000  -0.00054   0.77779
   A232       1.60063  -0.00008  -0.00191   0.00126  -0.00064   1.59999
   A233       1.85340   0.00000   0.00142  -0.00048   0.00094   1.85433
   A234       2.19069   0.00002  -0.00008  -0.00003  -0.00011   2.19058
   A235       2.12918   0.00003   0.00003  -0.00001   0.00002   2.12920
   A236       1.96298  -0.00005   0.00005   0.00003   0.00008   1.96306
   A237       2.12178   0.00005   0.00031   0.00007   0.00038   2.12217
   A238       2.12579  -0.00006   0.00004  -0.00017  -0.00013   2.12566
   A239       2.03418   0.00002  -0.00027   0.00013  -0.00015   2.03403
   A240       1.83474   0.00006  -0.00187   0.00272   0.00085   1.83559
   A241       2.53759  -0.00002   0.00216  -0.00273  -0.00055   2.53704
   A242       1.91263   0.00004   0.00026  -0.00002   0.00027   1.91289
   A243       1.91775   0.00003  -0.00030   0.00052   0.00027   1.91802
   A244       1.91652  -0.00001   0.00008  -0.00002  -0.00001   1.91651
   A245       1.90832   0.00003   0.00034  -0.00004   0.00026   1.90859
   A246       1.90895  -0.00004  -0.00012  -0.00011  -0.00022   1.90873
   A247       1.89956  -0.00005  -0.00027  -0.00033  -0.00057   1.89899
   A248       1.29026   0.00003  -0.00118  -0.00050  -0.00167   1.28859
   A249       1.90428   0.00012   0.00010  -0.00004   0.00007   1.90435
   A250       1.90856   0.00004   0.00020   0.00008   0.00028   1.90883
   A251       1.92792  -0.00002   0.00001   0.00009   0.00010   1.92802
   A252       1.91068  -0.00005  -0.00008  -0.00011  -0.00018   1.91049
   A253       1.89838  -0.00004  -0.00008   0.00008  -0.00001   1.89837
   A254       1.91390  -0.00004  -0.00016  -0.00010  -0.00026   1.91364
   A255       1.72221   0.00008  -0.00002   0.00127   0.00127   1.72347
   A256       1.76231   0.00002  -0.00020   0.00022   0.00001   1.76232
   A257       2.19043   0.00002   0.00022   0.00017   0.00043   2.19086
   A258       2.13037  -0.00004  -0.00021  -0.00014  -0.00035   2.13002
   A259       1.96215   0.00002  -0.00001  -0.00004  -0.00009   1.96207
   A260       2.12366   0.00001   0.00044  -0.00030   0.00013   2.12379
   A261       2.12353   0.00002  -0.00002  -0.00004   0.00000   2.12352
   A262       2.03542  -0.00002  -0.00039   0.00038  -0.00007   2.03535
   A263       1.35536   0.00003   0.00213  -0.00313  -0.00101   1.35435
   A264       1.90076   0.00005  -0.00001  -0.00003  -0.00005   1.90071
   A265       1.93080  -0.00006  -0.00007   0.00003  -0.00004   1.93076
   A266       1.90844   0.00003   0.00028  -0.00019   0.00007   1.90851
   A267       1.89636   0.00001  -0.00003   0.00029   0.00026   1.89662
   A268       1.91445   0.00000   0.00011  -0.00008   0.00006   1.91451
   A269       1.91292  -0.00002  -0.00029  -0.00002  -0.00030   1.91262
   A270       2.68221  -0.00001  -0.00090   0.00081  -0.00008   2.68213
   A271       1.68141  -0.00001   0.00071  -0.00076  -0.00006   1.68135
   A272       1.92435  -0.00002   0.00025   0.00004   0.00029   1.92464
   A273       1.91179   0.00008  -0.00007   0.00023   0.00015   1.91194
   A274       1.91516  -0.00001   0.00001  -0.00037  -0.00037   1.91479
   A275       1.89447  -0.00002  -0.00030   0.00018  -0.00010   1.89436
   A276       1.91069   0.00002   0.00006   0.00001   0.00007   1.91076
   A277       1.90717  -0.00005   0.00005  -0.00008  -0.00003   1.90715
   A278       1.82286  -0.00007  -0.00051  -0.00037  -0.00089   1.82197
   A279       1.73483   0.00014   0.00166   0.00007   0.00173   1.73656
   A280       2.19088  -0.00005  -0.00015  -0.00045  -0.00060   2.19028
   A281       2.13117  -0.00003  -0.00009   0.00000  -0.00009   2.13108
   A282       1.96103   0.00007   0.00024   0.00045   0.00070   1.96173
   A283       2.12367  -0.00003  -0.00028   0.00046   0.00018   2.12386
   A284       2.11688  -0.00008  -0.00031  -0.00035  -0.00065   2.11622
   A285       2.04015   0.00011   0.00049  -0.00009   0.00040   2.04055
   A286       2.72327   0.00000  -0.00132   0.00120  -0.00013   2.72314
   A287       1.63483  -0.00002   0.00130  -0.00123   0.00007   1.63490
   A288       1.92624   0.00000   0.00023  -0.00010   0.00014   1.92638
   A289       1.91432   0.00001   0.00015  -0.00043  -0.00030   1.91402
   A290       1.91209   0.00001  -0.00004  -0.00005  -0.00009   1.91200
   A291       1.89009   0.00004   0.00014   0.00036   0.00051   1.89059
   A292       1.91258   0.00002   0.00000   0.00014   0.00014   1.91272
   A293       1.90831  -0.00008  -0.00049   0.00009  -0.00039   1.90792
   A294       1.36064  -0.00002   0.00078  -0.00127  -0.00050   1.36014
   A295       1.14847   0.00001  -0.00041   0.00111   0.00070   1.14917
   A296       1.93409  -0.00001  -0.00018   0.00007  -0.00012   1.93397
   A297       1.90772   0.00007   0.00000   0.00009   0.00009   1.90781
   A298       1.90107  -0.00005   0.00024  -0.00013   0.00011   1.90118
   A299       1.90980  -0.00002  -0.00005  -0.00017  -0.00022   1.90958
   A300       1.89815   0.00001  -0.00013   0.00026   0.00013   1.89827
   A301       1.91290   0.00000   0.00013  -0.00012   0.00001   1.91291
   A302       1.62545   0.00003   0.00316  -0.00059   0.00257   1.62802
   A303       1.81989  -0.00001  -0.00279   0.00119  -0.00160   1.81828
   A304       2.18826   0.00001   0.00011  -0.00035  -0.00024   2.18802
   A305       2.13138  -0.00002  -0.00018  -0.00007  -0.00027   2.13111
   A306       1.96317   0.00001   0.00007   0.00043   0.00051   1.96368
   A307       2.12516   0.00008   0.00005  -0.00020  -0.00016   2.12500
   A308       2.12314   0.00008   0.00035   0.00010   0.00045   2.12359
   A309       2.03098  -0.00016  -0.00036   0.00008  -0.00027   2.03071
   A310       1.30238  -0.00006   0.00014  -0.00302  -0.00288   1.29950
   A311       3.05060  -0.00010  -0.00093   0.00282   0.00188   3.05248
   A312       1.91291  -0.00009  -0.00014  -0.00024  -0.00037   1.91254
   A313       1.92797   0.00001   0.00039  -0.00005   0.00032   1.92829
   A314       1.90293   0.00004  -0.00047  -0.00023  -0.00072   1.90221
   A315       1.90939   0.00014   0.00063   0.00005   0.00070   1.91008
   A316       1.91273  -0.00002  -0.00001   0.00007   0.00008   1.91281
   A317       1.89779  -0.00008  -0.00041   0.00039  -0.00001   1.89778
   A318       1.77886   0.00006  -0.00074   0.00165   0.00092   1.77978
   A319       1.91569  -0.00006   0.00018  -0.00031  -0.00013   1.91556
   A320       1.91290   0.00007   0.00002   0.00022   0.00025   1.91315
   A321       1.92145   0.00001  -0.00013  -0.00006  -0.00019   1.92126
   A322       1.90603   0.00007   0.00040   0.00012   0.00052   1.90655
   A323       1.91117  -0.00005  -0.00026  -0.00006  -0.00032   1.91085
   A324       1.89641  -0.00004  -0.00022   0.00008  -0.00014   1.89628
   A325       2.93081   0.00002   0.00084   0.00004   0.00091   2.93172
   A326       3.38544   0.00001  -0.00196   0.00262   0.00064   3.38608
   A327       3.10017   0.00001  -0.00159   0.00247   0.00086   3.10103
   A328       3.20416  -0.00001  -0.00133  -0.00060  -0.00193   3.20223
   A329       3.26828   0.00000   0.00185  -0.00315  -0.00131   3.26697
   A330       3.27044  -0.00003   0.00073  -0.00144  -0.00072   3.26973
   A331       3.69004   0.00001  -0.00100   0.00160   0.00060   3.69064
   A332       3.26858  -0.00003  -0.00522   0.00270  -0.00250   3.26608
   A333       2.94361  -0.00005   0.00151  -0.00109   0.00043   2.94404
   A334       2.88751  -0.00004   0.00058  -0.00102  -0.00043   2.88707
   A335       3.22629   0.00002   0.00014  -0.00059  -0.00046   3.22584
   A336       3.07650   0.00004  -0.00006   0.00078   0.00073   3.07723
   A337       3.10295   0.00001  -0.00023   0.00079   0.00057   3.10352
   A338       3.05397   0.00001  -0.00059  -0.00001  -0.00060   3.05337
    D1        2.75956  -0.00001  -0.00013  -0.00010  -0.00023   2.75933
    D2       -1.35771  -0.00001  -0.00048   0.00025  -0.00023  -1.35794
    D3        2.78466  -0.00001  -0.00103   0.00090  -0.00012   2.78453
    D4       -1.33261  -0.00001  -0.00138   0.00125  -0.00013  -1.33274
    D5        1.65733   0.00005   0.00072  -0.00059   0.00013   1.65746
    D6       -2.45994   0.00004   0.00037  -0.00024   0.00013  -2.45981
    D7        1.83611   0.00000   0.00107  -0.00052   0.00055   1.83666
    D8       -2.28116  -0.00001   0.00072  -0.00017   0.00055  -2.28061
    D9        0.24811  -0.00003   0.00597  -0.00205   0.00396   0.25207
   D10        2.41403  -0.00003   0.00562  -0.00171   0.00395   2.41798
   D11       -0.01654  -0.00004   0.00417  -0.00160   0.00256  -0.01398
   D12        2.14938  -0.00004   0.00382  -0.00126   0.00256   2.15194
   D13       -0.48392   0.00002   0.00420  -0.00180   0.00238  -0.48154
   D14        1.68199   0.00002   0.00385  -0.00146   0.00238   1.68437
   D15       -0.58735   0.00002   0.00264  -0.00108   0.00155  -0.58580
   D16        1.57857   0.00002   0.00229  -0.00073   0.00155   1.58012
   D17        0.18636  -0.00004   0.00238  -0.00124   0.00114   0.18750
   D18        2.35228  -0.00004   0.00203  -0.00089   0.00114   2.35342
   D19        0.13026  -0.00002   0.00145  -0.00116   0.00028   0.13054
   D20        2.29618  -0.00003   0.00110  -0.00081   0.00028   2.29646
   D21        2.38068  -0.00001   0.00273  -0.00204   0.00069   2.38137
   D22       -1.73658  -0.00001   0.00238  -0.00170   0.00069  -1.73590
   D23        2.14328  -0.00003   0.00257  -0.00266  -0.00009   2.14319
   D24       -1.97399  -0.00003   0.00222  -0.00231  -0.00009  -1.97408
   D25        1.69404  -0.00001   0.00293  -0.00253   0.00041   1.69445
   D26       -2.42323  -0.00001   0.00258  -0.00218   0.00041  -2.42282
   D27        1.38542   0.00000   0.00303  -0.00248   0.00057   1.38599
   D28       -2.73185   0.00000   0.00268  -0.00213   0.00057  -2.73128
   D29        2.36602   0.00002   0.00213  -0.00341  -0.00127   2.36475
   D30       -1.75124   0.00002   0.00178  -0.00306  -0.00127  -1.75252
   D31       -1.73995  -0.00005   0.00032   0.00009   0.00040  -1.73955
   D32        0.42597  -0.00005  -0.00003   0.00044   0.00039   0.42637
   D33       -2.09240   0.00003   0.00063   0.00000   0.00062  -2.09178
   D34        0.07352   0.00003   0.00028   0.00035   0.00062   0.07414
   D35       -2.46798   0.00001   0.00063   0.00014   0.00077  -2.46722
   D36       -0.30207   0.00001   0.00028   0.00049   0.00076  -0.30130
   D37       -2.75725   0.00001   0.00087  -0.00014   0.00071  -2.75654
   D38       -0.59133   0.00001   0.00052   0.00020   0.00071  -0.59062
   D39       -2.11814   0.00000   0.00068  -0.00058   0.00008  -2.11805
   D40        0.04778   0.00000   0.00033  -0.00024   0.00008   0.04786
   D41       -2.36111   0.00000   0.00042  -0.00109  -0.00068  -2.36179
   D42       -0.19519  -0.00001   0.00007  -0.00074  -0.00068  -0.19587
   D43        1.26326   0.00000   0.00077  -0.00102  -0.00024   1.26302
   D44       -1.95960   0.00000   0.00490  -0.00331   0.00160  -1.95800
   D45        2.44991   0.00001   0.00181  -0.00169   0.00011   2.45002
   D46       -0.77295   0.00000   0.00594  -0.00398   0.00195  -0.77100
   D47        2.93221   0.00002   0.00232  -0.00174   0.00057   2.93278
   D48       -0.29065   0.00001   0.00645  -0.00403   0.00241  -0.28825
   D49        2.88627  -0.00002   0.00023  -0.00144  -0.00130   2.88497
   D50       -0.33659  -0.00003   0.00436  -0.00373   0.00054  -0.33606
   D51        1.98940  -0.00006   0.00647  -0.00312   0.00351   1.99291
   D52       -1.23346  -0.00007   0.01060  -0.00541   0.00535  -1.22811
   D53        1.06440   0.00007   0.00897  -0.00433   0.00456   1.06896
   D54       -2.15846   0.00007   0.01310  -0.00662   0.00640  -2.15207
   D55        0.97839   0.00004   0.00416  -0.00224   0.00189   0.98028
   D56       -2.24447   0.00003   0.00829  -0.00453   0.00373  -2.24074
   D57        2.00793  -0.00004   0.00265  -0.00214   0.00053   2.00845
   D58       -1.21494  -0.00005   0.00678  -0.00443   0.00237  -1.21257
   D59        1.81956  -0.00002   0.00191  -0.00205  -0.00014   1.81942
   D60       -1.40330  -0.00003   0.00604  -0.00434   0.00170  -1.40160
   D61       -2.29922   0.00001   0.00381  -0.00301   0.00079  -2.29842
   D62        0.76111   0.00000   0.00794  -0.00530   0.00263   0.76374
   D63       -2.42098   0.00000   0.00279  -0.00311  -0.00032  -2.42130
   D64        0.63934  -0.00001   0.00692  -0.00540   0.00152   0.64087
   D65       -2.82270   0.00001   0.00259  -0.00311  -0.00051  -2.82321
   D66        0.23762   0.00001   0.00672  -0.00540   0.00133   0.23896
   D67       -2.98867   0.00000   0.00179  -0.00285  -0.00105  -2.98972
   D68        0.07165   0.00000   0.00592  -0.00514   0.00079   0.07244
   D69       -2.13525   0.00003   0.00206  -0.00302  -0.00096  -2.13621
   D70        0.92507   0.00002   0.00619  -0.00531   0.00088   0.92595
   D71       -0.15141  -0.00006   0.00193  -0.00307  -0.00114  -0.15255
   D72        2.90891  -0.00006   0.00607  -0.00536   0.00070   2.90962
   D73       -0.55176   0.00003   0.00213  -0.00300  -0.00087  -0.55263
   D74        2.50856   0.00003   0.00626  -0.00529   0.00097   2.50953
   D75       -0.71772   0.00000   0.00184  -0.00231  -0.00046  -0.71819
   D76        2.34260   0.00000   0.00597  -0.00460   0.00138   2.34398
   D77       -1.05620   0.00001   0.00191  -0.00225  -0.00034  -1.05654
   D78        2.00412   0.00000   0.00604  -0.00454   0.00150   2.00563
   D79       -0.83734   0.00000   0.00218  -0.00370  -0.00152  -0.83886
   D80        2.22298  -0.00001   0.00632  -0.00599   0.00032   2.22330
   D81       -1.14097   0.00001   0.00208  -0.00385  -0.00177  -1.14274
   D82        1.91935   0.00000   0.00621  -0.00614   0.00007   1.91942
   D83       -1.53067   0.00004  -0.00061  -0.00036  -0.00096  -1.53163
   D84       -2.61066   0.00000  -0.00015  -0.00063  -0.00079  -2.61145
   D85       -2.94468  -0.00004  -0.00121   0.00030  -0.00093  -2.94561
   D86        0.72750  -0.00001   0.00072  -0.00100  -0.00026   0.72724
   D87        0.29613  -0.00004   0.00126  -0.00101   0.00026   0.29638
   D88       -0.10612   0.00000   0.00345  -0.00160   0.00188  -0.10424
   D89       -0.43391   0.00003   0.00263  -0.00130   0.00131  -0.43260
   D90        0.18637  -0.00004  -0.00022  -0.00076  -0.00099   0.18539
   D91       -0.04622  -0.00002  -0.00070  -0.00077  -0.00148  -0.04770
   D92        2.38873  -0.00003   0.00151  -0.00196  -0.00046   2.38827
   D93        2.04649  -0.00003   0.00122  -0.00219  -0.00097   2.04552
   D94        1.64697  -0.00001   0.00160  -0.00225  -0.00065   1.64632
   D95        1.36536   0.00000   0.00115  -0.00209  -0.00093   1.36443
   D96        2.06033   0.00002   0.00049  -0.00222  -0.00172   2.05861
   D97       -1.87187  -0.00009  -0.00079  -0.00045  -0.00125  -1.87313
   D98       -2.41651   0.00004   0.00011  -0.00194  -0.00183  -2.41834
   D99       -2.63720   0.00000  -0.00011  -0.00130  -0.00142  -2.63861
   D100      -2.96812   0.00000  -0.00003  -0.00170  -0.00174  -2.96986
   D101      -2.88797   0.00000   0.00087  -0.00526  -0.00439  -2.89236
   D102       2.85391   0.00005   0.00129  -0.00584  -0.00455   2.84936
   D103      -2.83014   0.00002  -0.00578   0.00122  -0.00460  -2.83474
   D104       1.26774   0.00002  -0.00549   0.00086  -0.00467   1.26307
   D105       2.85805  -0.00002  -0.00444   0.00116  -0.00335   2.85470
   D106       0.67275  -0.00001  -0.00415   0.00080  -0.00342   0.66933
   D107       2.30859   0.00002  -0.00072   0.00012  -0.00050   2.30808
   D108       0.12329   0.00003  -0.00043  -0.00024  -0.00057   0.12271
   D109       1.69308  -0.00005   0.00458  -0.00232   0.00253   1.69562
   D110      -0.49222  -0.00004   0.00487  -0.00268   0.00246  -0.48975
   D111       2.61881  -0.00001  -0.00267   0.00058  -0.00210   2.61671
   D112       0.43351   0.00000  -0.00237   0.00021  -0.00217   0.43134
   D113       2.27456  -0.00001  -0.00216   0.00033  -0.00183   2.27274
   D114       0.08926   0.00000  -0.00187  -0.00004  -0.00190   0.08737
   D115      -1.60959  -0.00005  -0.00065   0.00059  -0.00011  -1.60971
   D116       2.48829  -0.00004  -0.00036   0.00023  -0.00018   2.48811
   D117      -1.76964  -0.00002  -0.00013  -0.00025  -0.00043  -1.77007
   D118       2.32825  -0.00001   0.00016  -0.00061  -0.00050   2.32774
   D119      -2.73453   0.00003  -0.00015  -0.00005  -0.00020  -2.73473
   D120       1.36336   0.00004   0.00014  -0.00041  -0.00027   1.36309
   D121      -2.69096   0.00001  -0.00042   0.00015  -0.00026  -2.69122
   D122       1.40692   0.00001  -0.00013  -0.00021  -0.00033   1.40660
   D123       1.34801  -0.00001  -0.00252   0.00092  -0.00162   1.34639
   D124      -0.83729   0.00000  -0.00223   0.00055  -0.00169  -0.83898
   D125       1.32726  -0.00001  -0.00325   0.00157  -0.00168   1.32558
   D126      -0.85804   0.00000  -0.00296   0.00121  -0.00175  -0.85979
   D127       1.68943  -0.00002  -0.00365   0.00194  -0.00171   1.68772
   D128      -0.49587  -0.00001  -0.00336   0.00158  -0.00178  -0.49765
   D129       1.81057   0.00000  -0.00348   0.00199  -0.00149   1.80908
   D130      -0.37473   0.00001  -0.00319   0.00163  -0.00156  -0.37628
   D131       0.93355  -0.00003  -0.00373   0.00171  -0.00202   0.93153
   D132      -1.25175  -0.00002  -0.00343   0.00135  -0.00209  -1.25384
   D133      -0.93979   0.00006  -0.00268   0.00197  -0.00067  -0.94046
   D134      -3.12509   0.00007  -0.00239   0.00160  -0.00074  -3.12583
   D135      -0.52095  -0.00004  -0.00219   0.00128  -0.00091  -0.52186
   D136      -2.70625  -0.00003  -0.00190   0.00092  -0.00098  -2.70723
   D137      -0.25266  -0.00003  -0.00049  -0.00009  -0.00065  -0.25331
   D138      -2.43796  -0.00002  -0.00020  -0.00046  -0.00072  -2.43868
   D139       0.14496  -0.00003   0.00019  -0.00071  -0.00059   0.14436
   D140      -2.04034  -0.00002   0.00048  -0.00107  -0.00066  -2.04100
   D141      -0.29549   0.00000  -0.00248   0.00173  -0.00076  -0.29625
   D142      -2.48079   0.00001  -0.00219   0.00137  -0.00083  -2.48162
   D143      -0.03833   0.00000  -0.00261   0.00174  -0.00090  -0.03923
   D144      -2.22363   0.00001  -0.00232   0.00138  -0.00097  -2.22460
   D145      -2.41431  -0.00002  -0.00475   0.00168  -0.00304  -2.41735
   D146      -2.64225  -0.00002  -0.00667   0.00247  -0.00418  -2.64643
   D147      -2.27833  -0.00007  -0.01033   0.00396  -0.00628  -2.28461
   D148       3.07418   0.00001  -0.00594   0.00211  -0.00385   3.07033
   D149       2.68977  -0.00002  -0.00601   0.00204  -0.00401   2.68576
   D150       1.51245  -0.00004  -0.00044   0.00116   0.00068   1.51313
   D151       2.61451   0.00003  -0.00023   0.00097   0.00076   2.61527
   D152       2.99416   0.00004  -0.00040   0.00102   0.00065   2.99482
   D153       1.20511   0.00003  -0.00306   0.00183  -0.00121   1.20390
   D154       1.27152   0.00001  -0.00328   0.00240  -0.00087   1.27065
   D155       1.66916  -0.00001  -0.00354   0.00248  -0.00106   1.66810
   D156       1.73577   0.00001  -0.00284   0.00225  -0.00060   1.73517
   D157       0.92231  -0.00002  -0.00332   0.00261  -0.00070   0.92161
   D158      -0.95416   0.00006  -0.00461   0.00423  -0.00039  -0.95456
   D159      -0.62948  -0.00002  -0.00452   0.00400  -0.00052  -0.63000
   D160      -0.68015   0.00001  -0.00350   0.00327  -0.00025  -0.68040
   D161      -0.38558   0.00001  -0.00247   0.00301   0.00051  -0.38508
   D162      -0.24495   0.00000  -0.00482   0.00439  -0.00045  -0.24540
   D163       0.03133  -0.00001  -0.00468   0.00429  -0.00041   0.03092
   D164      -1.23766   0.00001  -0.00248   0.00026  -0.00222  -1.23988
   D165       1.70894   0.00001  -0.00370   0.00073  -0.00297   1.70598
   D166      -1.60832   0.00001  -0.00265   0.00049  -0.00216  -1.61048
   D167       1.33828   0.00001  -0.00387   0.00096  -0.00291   1.33537
   D168      -1.68359   0.00003  -0.00310   0.00072  -0.00239  -1.68598
   D169       1.26301   0.00003  -0.00432   0.00119  -0.00314   1.25987
   D170      -1.94876   0.00001  -0.00355   0.00162  -0.00197  -1.95074
   D171       0.99784   0.00001  -0.00477   0.00209  -0.00272   0.99512
   D172      -1.96094   0.00001  -0.00237   0.00035  -0.00201  -1.96294
   D173       0.98567   0.00001  -0.00359   0.00083  -0.00276   0.98291
   D174      -2.26524   0.00000  -0.00231   0.00037  -0.00193  -2.26716
   D175       0.68137   0.00000  -0.00353   0.00084  -0.00268   0.67869
   D176       1.97062   0.00002   0.00160  -0.00064   0.00095   1.97157
   D177      -1.36596   0.00002   0.00038  -0.00017   0.00020  -1.36576
   D178       0.82519   0.00003   0.00157  -0.00030   0.00126   0.82645
   D179      -2.51140   0.00003   0.00035   0.00017   0.00051  -2.51088
   D180       0.36199   0.00005   0.00189  -0.00075   0.00112   0.36311
   D181      -2.97459   0.00005   0.00067  -0.00028   0.00037  -2.97422
   D182      -3.08542  -0.00001  -0.00125  -0.00005  -0.00131  -3.08673
   D183      -0.13882  -0.00001  -0.00247   0.00042  -0.00206  -0.14088
   D184       2.93598  -0.00002  -0.00148   0.00047  -0.00103   2.93495
   D185      -0.40061  -0.00002  -0.00270   0.00094  -0.00178  -0.40239
   D186       3.09423  -0.00001  -0.00164   0.00076  -0.00090   3.09333
   D187      -0.24236  -0.00001  -0.00286   0.00124  -0.00165  -0.24400
   D188       2.99269   0.00003  -0.00108   0.00055  -0.00056   2.99214
   D189      -0.34389   0.00003  -0.00230   0.00102  -0.00131  -0.34520
   D190       2.49162  -0.00003  -0.00167   0.00064  -0.00104   2.49058
   D191      -0.84496  -0.00003  -0.00289   0.00111  -0.00179  -0.84675
   D192       0.38948   0.00005  -0.00395   0.00377  -0.00015   0.38933
   D193      -2.94710   0.00005  -0.00518   0.00425  -0.00090  -2.94800
   D194       0.69620  -0.00003  -0.00419   0.00377  -0.00039   0.69581
   D195      -2.64038  -0.00003  -0.00541   0.00424  -0.00114  -2.64152
   D196       0.52386   0.00001  -0.00602   0.00508  -0.00084   0.52302
   D197      -2.81272   0.00001  -0.00724   0.00555  -0.00159  -2.81431
   D198       1.14283  -0.00001  -0.00308   0.00305  -0.00002   1.14281
   D199      -2.19375  -0.00001  -0.00431   0.00353  -0.00077  -2.19453
   D200       1.46556  -0.00002  -0.00248   0.00247  -0.00001   1.46555
   D201      -1.87103  -0.00002  -0.00370   0.00295  -0.00076  -1.87179
   D202       1.59336   0.00003   0.00083   0.00185   0.00268   1.59604
   D203      -0.61962   0.00002   0.00039   0.00197   0.00236  -0.61726
   D204       1.65767   0.00001   0.00171   0.00113   0.00283   1.66050
   D205      -0.55531   0.00000   0.00127   0.00125   0.00251  -0.55280
   D206       1.32811   0.00003   0.00285   0.00056   0.00340   1.33151
   D207      -0.88487   0.00002   0.00242   0.00068   0.00308  -0.88179
   D208       1.15559   0.00001   0.00450  -0.00084   0.00360   1.15920
   D209      -1.05738   0.00001   0.00406  -0.00072   0.00328  -1.05410
   D210       2.08639  -0.00001   0.00198   0.00092   0.00289   2.08928
   D211      -0.12658  -0.00002   0.00154   0.00104   0.00257  -0.12401
   D212       2.19920   0.00002   0.00241   0.00027   0.00268   2.20188
   D213      -0.01378   0.00002   0.00197   0.00039   0.00236  -0.01141
   D214      -2.19887   0.00003  -0.00201   0.00212   0.00013  -2.19874
   D215       1.87133   0.00003  -0.00245   0.00224  -0.00019   1.87115
   D216      -2.37606   0.00002  -0.00090   0.00191   0.00101  -2.37505
   D217       1.69415   0.00002  -0.00134   0.00203   0.00069   1.69484
   D218      -1.99271  -0.00003  -0.00041   0.00166   0.00123  -1.99147
   D219       2.07750  -0.00003  -0.00085   0.00178   0.00092   2.07841
   D220      -2.13371   0.00001   0.00408  -0.00113   0.00297  -2.13074
   D221       1.93650   0.00000   0.00364  -0.00101   0.00266   1.93915
   D222      -2.87268   0.00003  -0.00082   0.00199   0.00116  -2.87152
   D223       1.19753   0.00003  -0.00125   0.00211   0.00084   1.19837
   D224       3.07185   0.00002  -0.00060   0.00207   0.00146   3.07331
   D225       0.85887   0.00001  -0.00104   0.00219   0.00114   0.86002
   D226      -2.71112   0.00003  -0.00014   0.00065   0.00051  -2.71061
   D227       1.35909   0.00002  -0.00058   0.00077   0.00019   1.35928
   D228      -2.64373  -0.00001  -0.00087   0.00118   0.00032  -2.64341
   D229       1.42647  -0.00001  -0.00131   0.00130   0.00000   1.42648
   D230      -1.56299   0.00006   0.00021   0.00049   0.00070  -1.56229
   D231       2.50722   0.00006  -0.00023   0.00061   0.00038   2.50760
   D232      -0.10692  -0.00003   0.00305  -0.00296   0.00011  -0.10680
   D233      -2.31989  -0.00004   0.00262  -0.00284  -0.00021  -2.32010
   D234      -0.23524   0.00001   0.00253  -0.00189   0.00064  -0.23460
   D235      -2.44822   0.00001   0.00209  -0.00177   0.00033  -2.44789
   D236       0.05027   0.00000   0.00204  -0.00101   0.00104   0.05131
   D237      -2.16270  -0.00001   0.00160  -0.00089   0.00072  -2.16198
   D238      -0.04981   0.00000   0.00163  -0.00095   0.00068  -0.04913
   D239      -2.26279  -0.00001   0.00119  -0.00083   0.00036  -2.26243
   D240      -0.62357   0.00002   0.00226  -0.00158   0.00067  -0.62289
   D241      -2.83655   0.00001   0.00182  -0.00147   0.00036  -2.83619
   D242      -0.80646   0.00004   0.00215  -0.00137   0.00078  -0.80567
   D243      -3.01943   0.00003   0.00171  -0.00125   0.00046  -3.01897
   D244      -2.94117   0.00002   0.00096  -0.00004   0.00092  -2.94025
   D245      -0.04104   0.00002   0.00109   0.00067   0.00176  -0.03928
   D246      -3.13780  -0.00001   0.00179  -0.00077   0.00101  -3.13679
   D247      -0.23767  -0.00001   0.00192  -0.00006   0.00185  -0.23582
   D248       2.75528   0.00001   0.00250  -0.00109   0.00139   2.75667
   D249      -0.62777   0.00002   0.00263  -0.00039   0.00223  -0.62554
   D250       2.51709  -0.00001   0.00309  -0.00180   0.00125   2.51834
   D251      -0.86596  -0.00001   0.00322  -0.00109   0.00209  -0.86387
   D252      -2.91528  -0.00002   0.00253  -0.00141   0.00113  -2.91415
   D253      -0.01515  -0.00002   0.00266  -0.00070   0.00197  -0.01318
   D254      -3.09025   0.00001   0.00278  -0.00213   0.00065  -3.08960
   D255      -0.19012   0.00001   0.00292  -0.00142   0.00150  -0.18863
   D256      -0.62625   0.00001  -0.00109   0.00025  -0.00080  -0.62705
   D257       2.27388   0.00001  -0.00095   0.00096   0.00004   2.27392
   D258      -0.88523   0.00000   0.00001  -0.00023  -0.00021  -0.88544
   D259       2.01490   0.00000   0.00014   0.00048   0.00063   2.01553
   D260      -0.73588  -0.00001   0.00107  -0.00068   0.00040  -0.73548
   D261       2.16425  -0.00001   0.00121   0.00003   0.00124   2.16549
   D262      -0.95177   0.00003   0.00272  -0.00183   0.00088  -0.95089
   D263       1.94836   0.00003   0.00286  -0.00112   0.00172   1.95008
   D264      -1.29380   0.00001   0.00007  -0.00036  -0.00031  -1.29412
   D265       1.60633   0.00001   0.00020   0.00035   0.00053   1.60686
   D266      -1.53728   0.00000   0.00060  -0.00059   0.00000  -1.53728
   D267       1.36285   0.00000   0.00073   0.00012   0.00084   1.36370
   D268       1.98273   0.00001   0.00054  -0.00138  -0.00084   1.98189
   D269      -1.40033   0.00001   0.00067  -0.00067   0.00000  -1.40032
   D270       0.86581   0.00001   0.00065  -0.00130  -0.00066   0.86515
   D271      -2.51724   0.00002   0.00078  -0.00059   0.00018  -2.51706
   D272       0.85407   0.00002   0.00803  -0.00824  -0.00020   0.85387
   D273      -2.52898   0.00002   0.00816  -0.00753   0.00064  -2.52834
   D274       1.07187  -0.00003   0.00472  -0.00506  -0.00034   1.07154
   D275      -2.31118  -0.00003   0.00485  -0.00435   0.00051  -2.31068
   D276       1.54834  -0.00003   0.00355  -0.00377  -0.00020   1.54814
   D277      -1.83471  -0.00003   0.00369  -0.00306   0.00065  -1.83407
   D278       1.54328  -0.00003   0.00263  -0.00327  -0.00063   1.54265
   D279      -1.83977  -0.00003   0.00276  -0.00256   0.00021  -1.83956
   D280       0.77730   0.00000   0.00341  -0.00343  -0.00003   0.77728
   D281      -2.60575   0.00001   0.00354  -0.00272   0.00082  -2.60494
   D282       0.76151   0.00002   0.00306  -0.00302   0.00003   0.76154
   D283      -2.62154   0.00002   0.00319  -0.00231   0.00087  -2.62067
   D284       1.54696  -0.00001   0.00042   0.00272   0.00313   1.55009
   D285      -2.67397  -0.00001   0.00029   0.00283   0.00311  -2.67086
   D286       1.61088  -0.00002   0.00109   0.00136   0.00244   1.61332
   D287      -2.61005  -0.00002   0.00096   0.00147   0.00242  -2.60763
   D288       1.29611   0.00000   0.00199   0.00058   0.00256   1.29867
   D289      -2.92482   0.00000   0.00186   0.00069   0.00254  -2.92228
   D290       1.20642   0.00000   0.00303  -0.00073   0.00229   1.20871
   D291      -3.01451   0.00000   0.00290  -0.00062   0.00227  -3.01224
   D292       2.00939  -0.00003   0.00125   0.00095   0.00220   2.01159
   D293      -2.21154  -0.00003   0.00112   0.00107   0.00218  -2.20936
   D294       1.99372   0.00001   0.00129   0.00032   0.00161   1.99533
   D295      -2.22722   0.00001   0.00116   0.00043   0.00160  -2.22562
   D296      -2.26898   0.00000  -0.00287   0.00197  -0.00089  -2.26987
   D297      -0.20673   0.00000  -0.00300   0.00208  -0.00090  -0.20763
   D298      -2.25772   0.00002  -0.00152   0.00135  -0.00016  -2.25788
   D299      -0.19546   0.00002  -0.00165   0.00147  -0.00018  -0.19564
   D300      -1.87415  -0.00002  -0.00130   0.00122  -0.00008  -1.87423
   D301       0.18811  -0.00002  -0.00143   0.00133  -0.00010   0.18801
   D302      -1.82114  -0.00001   0.00011  -0.00009   0.00002  -1.82112
   D303       0.24111  -0.00001  -0.00002   0.00002   0.00000   0.24112
   D304      -2.61269   0.00003  -0.00069   0.00102   0.00033  -2.61236
   D305      -0.55043   0.00003  -0.00082   0.00113   0.00031  -0.55012
   D306      -2.74255   0.00002   0.00008   0.00085   0.00094  -2.74162
   D307      -0.68030   0.00002  -0.00005   0.00097   0.00092  -0.67938
   D308       1.52450   0.00003  -0.00051   0.00063   0.00012   1.52462
   D309      -2.69643   0.00003  -0.00064   0.00074   0.00010  -2.69633
   D310       2.62808   0.00001  -0.00083   0.00093   0.00010   2.62818
   D311      -1.59285   0.00001  -0.00096   0.00105   0.00008  -1.59277
   D312       3.02062  -0.00004  -0.00146   0.00126  -0.00020   3.02042
   D313      -1.20031  -0.00004  -0.00159   0.00138  -0.00022  -1.20053
   D314      -0.51947   0.00001   0.00291  -0.00260   0.00032  -0.51914
   D315       1.54279   0.00001   0.00278  -0.00248   0.00031   1.54309
   D316      -0.35590  -0.00003   0.00230  -0.00190   0.00040  -0.35550
   D317       1.70636  -0.00003   0.00216  -0.00179   0.00038   1.70673
   D318       0.07220  -0.00003   0.00211  -0.00162   0.00050   0.07270
   D319       2.13446  -0.00003   0.00198  -0.00151   0.00048   2.13494
   D320       0.20738  -0.00002   0.00171  -0.00150   0.00021   0.20759
   D321       2.26963  -0.00003   0.00158  -0.00139   0.00020   2.26983
   D322      -0.60031   0.00000   0.00190  -0.00123   0.00067  -0.59964
   D323       1.46195   0.00000   0.00176  -0.00112   0.00065   1.46260
   D324      -0.64025   0.00002   0.00212  -0.00127   0.00086  -0.63939
   D325       1.42200   0.00001   0.00199  -0.00115   0.00084   1.42284
   D326       0.09924  -0.00002  -0.00101  -0.00033  -0.00134   0.09790
   D327       2.26847  -0.00003  -0.00080  -0.00031  -0.00112   2.26735
   D328       0.39970   0.00003  -0.00104  -0.00019  -0.00123   0.39847
   D329       2.56893   0.00002  -0.00083  -0.00018  -0.00101   2.56792
   D330       0.77445   0.00000  -0.00165   0.00017  -0.00147   0.77298
   D331       2.94368  -0.00001  -0.00144   0.00018  -0.00125   2.94243
   D332       1.05535   0.00003  -0.00174   0.00036  -0.00134   1.05401
   D333      -3.05861   0.00002  -0.00154   0.00037  -0.00112  -3.05973
   D334       0.32370   0.00007  -0.00088  -0.00029  -0.00117   0.32253
   D335       2.49293   0.00006  -0.00068  -0.00028  -0.00095   2.49198
   D336       0.71104   0.00008  -0.00108   0.00137   0.00030   0.71134
   D337       2.88027   0.00007  -0.00087   0.00138   0.00052   2.88079
   D338      -2.32301  -0.00002  -0.00032  -0.00070  -0.00107  -2.32408
   D339      -0.15378  -0.00003  -0.00012  -0.00069  -0.00085  -0.15463
   D340      -1.94733   0.00001  -0.00053  -0.00072  -0.00128  -1.94861
   D341       0.22190   0.00000  -0.00033  -0.00071  -0.00106   0.22083
   D342      -1.88317   0.00003  -0.00226   0.00056  -0.00172  -1.88489
   D343       0.28606   0.00002  -0.00205   0.00057  -0.00150   0.28455
   D344      -1.57146  -0.00001  -0.00375   0.00182  -0.00194  -1.57340
   D345       0.59778  -0.00002  -0.00355   0.00184  -0.00173   0.59605
   D346      -1.59238  -0.00001   0.00069  -0.00163  -0.00096  -1.59334
   D347       0.57685  -0.00002   0.00089  -0.00162  -0.00074   0.57611
   D348      -1.29088   0.00000   0.00035  -0.00139  -0.00103  -1.29192
   D349       0.87835  -0.00001   0.00055  -0.00137  -0.00082   0.87753
   D350       1.88060   0.00004  -0.00260   0.00267   0.00004   1.88064
   D351      -2.23335   0.00003  -0.00240   0.00268   0.00026  -2.23309
   D352       2.33298   0.00004  -0.00381   0.00361  -0.00022   2.33276
   D353      -1.78097   0.00003  -0.00361   0.00362  -0.00001  -1.78098
   D354       2.64280  -0.00001  -0.00756   0.00682  -0.00075   2.64205
   D355      -1.47115  -0.00002  -0.00735   0.00683  -0.00053  -1.47169
   D356      -3.01259  -0.00012  -0.00599   0.00422  -0.00164  -3.01423
   D357      -0.84336  -0.00013  -0.00579   0.00423  -0.00142  -0.84479
   D358       2.63459  -0.00001  -0.00239   0.00197  -0.00043   2.63416
   D359      -1.47936  -0.00002  -0.00219   0.00198  -0.00021  -1.47958
   D360       1.64534  -0.00002  -0.00109  -0.00035  -0.00145   1.64389
   D361      -2.46861  -0.00003  -0.00089  -0.00034  -0.00123  -2.46985
   D362       1.81998   0.00000  -0.00106   0.00049  -0.00057   1.81941
   D363      -2.29397  -0.00001  -0.00085   0.00050  -0.00036  -2.29433
   D364       2.75379   0.00002  -0.00088  -0.00008  -0.00096   2.75283
   D365      -1.36017   0.00001  -0.00068  -0.00007  -0.00074  -1.36091
   D366       2.75364  -0.00001  -0.00161   0.00060  -0.00101   2.75263
   D367      -1.36031  -0.00002  -0.00141   0.00061  -0.00080  -1.36111
   D368       0.06326   0.00000  -0.00067   0.00120   0.00053   0.06379
   D369      -2.39706  -0.00001  -0.00158   0.01506   0.01347  -2.38359
   D370       0.46314   0.00002  -0.00066   0.00111   0.00045   0.46359
   D371      -1.99719   0.00001  -0.00157   0.01497   0.01340  -1.98379
   D372       0.68224   0.00000  -0.00077   0.00096   0.00020   0.68245
   D373      -1.77808  -0.00001  -0.00168   0.01482   0.01315  -1.76493
   D374       0.95374   0.00003  -0.00034   0.00022  -0.00009   0.95365
   D375      -1.50658   0.00002  -0.00126   0.01408   0.01286  -1.49373
   D376       0.70014   0.00001  -0.00080   0.00141   0.00060   0.70075
   D377      -1.76018   0.00000  -0.00172   0.01527   0.01355  -1.74663
   D378       1.04297   0.00002  -0.00084   0.00166   0.00082   1.04379
   D379      -1.41735   0.00001  -0.00175   0.01552   0.01376  -1.40359
   D380      -2.69822   0.00003  -0.00334   0.00193  -0.00135  -2.69956
   D381       1.12464   0.00002  -0.00425   0.01579   0.01160   1.13624
   D382      -2.17637   0.00004  -0.00133   0.00016  -0.00116  -2.17754
   D383       1.64649   0.00003  -0.00225   0.01402   0.01178   1.65827
   D384      -1.93568   0.00001  -0.00231   0.00072  -0.00158  -1.93726
   D385       1.88718   0.00000  -0.00322   0.01457   0.01136   1.89854
   D386      -1.60838  -0.00003  -0.00267   0.00106  -0.00159  -1.60998
   D387       2.21448  -0.00004  -0.00358   0.01492   0.01135   2.22583
   D388      -1.72636   0.00001   0.00306  -0.00310  -0.00014  -1.72649
   D389       2.09651   0.00000   0.00215   0.01076   0.01281   2.10931
   D390      -1.16679  -0.00002   0.00274  -0.00319  -0.00044  -1.16723
   D391       2.65607  -0.00003   0.00182   0.01067   0.01251   2.66858
   D392       1.80347   0.00002  -0.00092   0.00121   0.00029   1.80376
   D393      -0.65685   0.00001  -0.00183   0.01506   0.01323  -0.64362
   D394       2.11222   0.00004  -0.00153   0.00164   0.00011   2.11233
   D395      -0.34810   0.00003  -0.00244   0.01550   0.01306  -0.33505
   D396       2.07841   0.00004  -0.00275   0.00266  -0.00011   2.07830
   D397      -0.38191   0.00003  -0.00367   0.01652   0.01284  -0.36908
   D398       2.31199   0.00000  -0.00465   0.00410  -0.00056   2.31143
   D399      -0.14833  -0.00001  -0.00556   0.01796   0.01238  -0.13595
   D400       2.50426   0.00002  -0.00110   0.00127   0.00018   2.50443
   D401       0.04393   0.00001  -0.00201   0.01513   0.01312   0.05706
   D402      -1.53624  -0.00004   0.00004  -0.00111  -0.00107  -1.53731
   D403       2.28662  -0.00005  -0.00087   0.01275   0.01187   2.29850
   D404      -2.63200  -0.00001  -0.00027  -0.00090  -0.00118  -2.63317
   D405       1.19087  -0.00002  -0.00118   0.01295   0.01177   1.20263
   D406      -2.98304  -0.00001  -0.00071  -0.00028  -0.00098  -2.98403
   D407       0.83982  -0.00002  -0.00162   0.01358   0.01196   0.85178
   D408       1.91759  -0.00001   0.00050   0.00023   0.00073   1.91832
   D409       2.41478   0.00002   0.00011   0.00143   0.00154   2.41633
   D410       2.65190   0.00000   0.00006   0.00109   0.00116   2.65305
   D411       2.88464   0.00002   0.00076   0.00020   0.00099   2.88563
   D412       2.84117  -0.00001  -0.00078   0.00442   0.00364   2.84481
   D413      -2.93384   0.00002  -0.00089   0.00393   0.00303  -2.93081
   D414      -0.71675   0.00001  -0.00154   0.00096  -0.00060  -0.71735
   D415      -0.33962   0.00003  -0.00120   0.00053  -0.00068  -0.34030
   D416      -0.01605  -0.00001  -0.00260   0.00152  -0.00110  -0.01715
   D417       0.29026  -0.00004  -0.00246   0.00130  -0.00115   0.28911
   D418      -0.22376   0.00003   0.00059  -0.00081  -0.00023  -0.22398
   D419       0.07447   0.00002   0.00159  -0.00166  -0.00007   0.07440
   D420      -2.53438   0.00001  -0.00113   0.00165   0.00051  -2.53387
   D421      -2.15257   0.00003  -0.00121   0.00171   0.00050  -2.15208
   D422      -1.89240   0.00000  -0.00222   0.00242   0.00020  -1.89221
   D423      -1.57277  -0.00002  -0.00241   0.00234  -0.00006  -1.57283
   D424      -1.95342   0.00000  -0.00032   0.00093   0.00061  -1.95281
   D425       1.30577   0.00003   0.00115  -0.00101   0.00015   1.30592
   D426       2.47595  -0.00002   0.00058  -0.00108  -0.00051   2.47545
   D427       2.95274   0.00000   0.00052  -0.00057  -0.00005   2.95269
   D428      -3.05985   0.00010  -0.00092  -0.00012  -0.00104  -3.06089
   D429       0.02213   0.00010   0.00072   0.00059   0.00131   0.02344
   D430       0.05418  -0.00002  -0.00109  -0.00044  -0.00153   0.05266
   D431       3.13617  -0.00001   0.00055   0.00027   0.00082   3.13698
   D432      -0.10722  -0.00004   0.00403  -0.00265   0.00137  -0.10585
   D433       1.98996   0.00004   0.00443  -0.00239   0.00203   1.99199
   D434      -2.20441  -0.00001   0.00397  -0.00249   0.00148  -2.20293
   D435       3.09101  -0.00005   0.00247  -0.00332  -0.00086   3.09015
   D436      -1.09500   0.00004   0.00287  -0.00305  -0.00020  -1.09520
   D437       0.99382  -0.00001   0.00240  -0.00315  -0.00075   0.99307
   D438      -2.36865   0.00002   0.00005  -0.00256  -0.00251  -2.37116
   D439      -0.27931   0.00005   0.00014  -0.00266  -0.00253  -0.28184
   D440       1.82855   0.00001   0.00008  -0.00268  -0.00261   1.82594
   D441       0.71617   0.00002   0.00163  -0.00188  -0.00026   0.71591
   D442       2.80551   0.00005   0.00171  -0.00199  -0.00028   2.80523
   D443      -1.36982   0.00002   0.00166  -0.00201  -0.00036  -1.37018
   D444       0.00561   0.00003  -0.00095   0.00013  -0.00082   0.00479
   D445       3.10933   0.00006   0.00003   0.00116   0.00117   3.11050
   D446      -3.11318  -0.00003  -0.00102   0.00034  -0.00069  -3.11387
   D447      -0.00946   0.00000  -0.00005   0.00137   0.00131  -0.00816
   D448       2.41525   0.00005  -0.00138   0.00474   0.00335   2.41860
   D449      -1.78488   0.00005  -0.00147   0.00510   0.00362  -1.78126
   D450       0.32352   0.00000  -0.00169   0.00497   0.00327   0.32679
   D451      -0.69029   0.00001  -0.00231   0.00377   0.00145  -0.68884
   D452       1.39277   0.00002  -0.00240   0.00412   0.00172   1.39449
   D453      -2.78202  -0.00004  -0.00262   0.00399   0.00137  -2.78065
   D454       2.04933  -0.00001   0.00141  -0.00302  -0.00159   2.04773
   D455      -2.15018   0.00000   0.00116  -0.00263  -0.00145  -2.15163
   D456      -0.05654  -0.00002   0.00118  -0.00281  -0.00162  -0.05816
   D457      -1.12832   0.00002   0.00235  -0.00205   0.00031  -1.12801
   D458       0.95536   0.00003   0.00210  -0.00166   0.00045   0.95581
   D459       3.04900   0.00001   0.00212  -0.00184   0.00028   3.04928
   D460      -3.08058  -0.00005   0.00002  -0.00018  -0.00015  -3.08073
   D461      -0.01712  -0.00005  -0.00144   0.00022  -0.00121  -0.01833
   D462       0.07637  -0.00010  -0.00046  -0.00019  -0.00064   0.07573
   D463       3.13983  -0.00010  -0.00192   0.00021  -0.00170   3.13812
   D464       1.91494  -0.00001   0.00023  -0.00087  -0.00064   1.91430
   D465      -2.28721   0.00004   0.00065  -0.00076  -0.00012  -2.28733
   D466      -0.19250  -0.00005   0.00012  -0.00095  -0.00084  -0.19334
   D467      -1.15179   0.00000   0.00167  -0.00125   0.00042  -1.15137
   D468       0.92925   0.00005   0.00208  -0.00114   0.00094   0.93019
   D469       3.02396  -0.00004   0.00155  -0.00133   0.00022   3.02418
   D470      -1.64329   0.00002   0.00006   0.00126   0.00131  -1.64198
   D471       0.46284   0.00004  -0.00012   0.00115   0.00102   0.46386
   D472       2.55244   0.00004   0.00018   0.00098   0.00116   2.55360
   D473       1.42375   0.00001  -0.00137   0.00167   0.00030   1.42404
   D474      -2.75331   0.00003  -0.00155   0.00156   0.00001  -2.75330
   D475      -0.66370   0.00004  -0.00124   0.00139   0.00014  -0.66356
   D476       0.01433  -0.00005  -0.00224   0.00017  -0.00207   0.01226
   D477      -3.02894  -0.00005  -0.00277   0.00039  -0.00237  -3.03131
   D478       3.12671   0.00000  -0.00229   0.00039  -0.00190   3.12481
   D479       0.08344   0.00001  -0.00281   0.00061  -0.00220   0.08124
   D480      -0.29142  -0.00006  -0.00149  -0.00312  -0.00462  -0.29604
   D481       1.81367   0.00006  -0.00055  -0.00324  -0.00379   1.80988
   D482      -2.38506   0.00000  -0.00111  -0.00293  -0.00405  -2.38911
   D483       2.75676  -0.00005  -0.00096  -0.00333  -0.00429   2.75247
   D484      -1.42133   0.00007  -0.00002  -0.00345  -0.00346  -1.42479
   D485       0.66312   0.00000  -0.00058  -0.00313  -0.00373   0.65939
   D486      -0.09067  -0.00007   0.00127  -0.00140  -0.00013  -0.09080
   D487       2.00258   0.00003   0.00189  -0.00130   0.00060   2.00318
   D488      -2.19562   0.00003   0.00156  -0.00110   0.00047  -2.19515
   D489      -3.13897  -0.00007   0.00076  -0.00117  -0.00042  -3.13938
   D490      -1.04572   0.00002   0.00138  -0.00108   0.00031  -1.04541
   D491       1.03927   0.00002   0.00105  -0.00087   0.00018   1.03944
         Item               Value     Threshold  Converged?
 Maximum Force            0.000592     0.000450     NO 
 RMS     Force            0.000046     0.000300     YES
 Maximum Displacement     0.011387     0.001800     NO 
 RMS     Displacement     0.001752     0.001200     NO 
 Predicted change in Energy=-2.769219D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:09:27 2016, MaxMem=  2952790016 cpu:        10.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.789658   -0.584210    1.648526
      2          6           0       -2.062332    1.133457   -1.372986
      3          8           0       -2.600602    0.156245   -1.921806
      4          7           0       -0.770275    1.189726   -0.949705
      5          1           0       -2.621845    2.064304   -1.151133
      6          6           0       -0.251164    2.349717   -0.223105
      7          1           0       -1.014391    3.139844   -0.196542
      8          1           0        0.010748    2.060289    0.807164
      9          1           0        0.652378    2.731287   -0.725444
     10          6           0        0.152317    0.066245   -1.134541
     11          1           0        0.723126   -0.088074   -0.205671
     12          1           0       -0.420685   -0.841025   -1.366812
     13          1           0        0.858753    0.278334   -1.953911
     14          6           0       -2.065198   -3.952417    2.692970
     15          8           0       -2.216696   -3.760654    3.911565
     16          7           0       -2.974747   -3.652524    1.726187
     17          1           0       -1.131134   -4.379470    2.276636
     18          6           0       -4.269196   -3.044589    2.048717
     19          1           0       -4.494198   -2.266747    1.301738
     20          1           0       -5.070969   -3.801314    2.022835
     21          1           0       -4.220475   -2.594396    3.048135
     22          6           0       -2.692168   -3.879847    0.308194
     23          1           0       -3.397319   -4.617797   -0.108307
     24          1           0       -2.806085   -2.933917   -0.246947
     25          1           0       -1.663652   -4.248343    0.189687
     26          6           0        1.604034    0.357581    2.577069
     27          8           0        1.462718    1.381907    3.265987
     28          7           0        1.208903   -0.895168    2.933415
     29          1           0        2.068147    0.383805    1.571345
     30          6           0        1.484359   -2.058112    2.087814
     31          1           0        2.243600   -2.704572    2.559349
     32          1           0        0.561999   -2.646985    1.954951
     33          1           0        1.845321   -1.721639    1.106085
     34          6           0        0.574572   -1.152383    4.228664
     35          1           0        1.323211   -1.464830    4.976596
     36          1           0        0.072367   -0.239727    4.574457
     37          1           0       -0.164437   -1.957737    4.110223
     38          6           0       -4.605215    1.015809    2.882977
     39          8           0       -4.847141    1.578420    1.801534
     40          7           0       -3.549519    1.293893    3.697408
     41          1           0       -5.236546    0.192284    3.272786
     42          6           0       -2.571924    2.334279    3.365040
     43          1           0       -2.652938    2.588532    2.300341
     44          1           0       -2.748099    3.237427    3.972411
     45          1           0       -1.560191    1.956454    3.578468
     46          6           0       -3.264063    0.490459    4.886707
     47          1           0       -4.059921   -0.252656    5.032569
     48          1           0       -2.299291   -0.030202    4.759302
     49          1           0       -3.199711    1.139170    5.774954
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486296   0.000000
     3  O    3.735394   1.243335   0.000000
     4  N    3.307082   1.360788   2.315850   0.000000
     5  H    3.942746   1.108489   2.057930   2.057613   0.000000
     6  C    3.804982   2.466139   3.635487   1.463900   2.561801
     7  H    4.227752   2.551037   3.794004   2.104711   2.156836
     8  H    3.307979   3.147972   4.229871   2.110560   3.281080
     9  H    4.753082   3.215901   4.317870   2.109655   3.368473
    10  C    3.455405   2.469913   2.864690   1.465452   3.418843
    11  H    3.162006   3.257842   3.748597   2.101572   4.088454
    12  H    3.321491   2.567805   2.460610   2.102413   3.651377
    13  H    4.553637   3.098620   3.461657   2.119622   3.993583
    14  C    3.537175   6.511383   6.201928   6.433314   7.161557
    15  O    3.923456   7.204348   7.036881   7.087336   7.728207
    16  N    3.290140   5.774339   5.287207   5.955458   6.409807
    17  H    3.902842   6.676769   6.352871   6.446351   7.449432
    18  C    3.515925   5.833898   5.366060   6.257987   6.249287
    19  H    3.204018   4.962812   4.455090   5.557319   5.317920
    20  H    4.610517   6.703392   6.109433   7.227893   7.104769
    21  H    3.450887   6.172582   5.906803   6.496628   6.472476
    22  C    3.670455   5.325062   4.612085   5.565658   6.121071
    23  H    4.684107   6.038090   5.168657   6.429357   6.807299
    24  H    3.185445   4.285401   3.520863   4.652184   5.082686
    25  H    3.945879   5.618244   4.973598   5.627515   6.524219
    26  C    3.642295   5.444920   6.161118   4.332198   5.888162
    27  O    4.130345   5.831619   6.702687   4.774437   6.054773
    28  N    3.277042   5.775932   6.260269   4.831412   6.333769
    29  H    3.978149   5.127565   5.835333   3.880959   5.677323
    30  C    3.617258   5.894258   6.137372   4.985815   6.659280
    31  H    4.646796   6.981030   7.192449   6.046690   7.757732
    32  H    3.143124   5.679263   5.734927   4.993229   6.479264
    33  H    3.847215   5.437566   5.697438   4.420821   6.275665
    34  C    3.545352   6.599758   7.044325   5.840342   7.036076
    35  H    4.641283   7.650503   8.100133   6.822785   8.097365
    36  H    3.485238   6.466425   7.035836   5.767993   6.734220
    37  H    3.253902   6.574425   6.840263   5.989694   7.063819
    38  C    3.465731   4.959164   5.276672   5.424616   4.615965
    39  O    3.748144   4.246261   4.575236   4.933684   3.729111
    40  N    3.289726   5.286431   5.811218   5.415783   4.996245
    41  H    3.888728   5.704791   5.825229   6.226709   5.469203
    42  C    3.475045   4.914321   5.717989   4.813831   4.524511
    43  H    3.352075   3.994920   4.872913   4.007976   3.491196
    44  H    4.574271   5.785346   6.652611   5.686131   5.257648
    45  H    3.198797   5.044439   5.880155   4.660063   4.848491
    46  C    3.716800   6.406353   6.848922   6.385268   6.272554
    47  H    4.088492   6.851482   7.117594   6.977810   6.758293
    48  H    3.200560   6.246215   6.690498   6.034805   6.278872
    49  H    4.688890   7.237866   7.782363   7.150227   7.011453
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098873   0.000000
     8  H    1.101735   1.795487   0.000000
     9  H    1.101966   1.795765   1.791874   0.000000
    10  C    2.491537   3.418780   2.786838   2.742237   0.000000
    11  H    2.625332   3.665856   2.479673   2.867745   1.101107
    12  H    3.393764   4.191579   3.651017   3.784736   1.097917
    13  H    2.918602   3.845160   3.393819   2.751127   1.102452
    14  C    7.177123   7.730048   6.634640   7.983900   5.976358
    15  O    7.635145   8.120280   6.962915   8.478132   6.761698
    16  N    6.873466   7.326401   6.511068   7.740773   5.638399
    17  H    7.232220   7.916459   6.703263   7.921885   5.748719
    18  C    7.099598   7.340447   6.776367   8.079517   6.273771
    19  H    6.452923   6.601903   6.265970   7.455001   5.741813
    20  H    8.130802   8.340332   7.852394   9.109588   7.225632
    21  H    7.134471   7.327237   6.677671   8.145396   6.610227
    22  C    6.711799   7.235037   6.545223   7.480741   5.073877
    23  H    7.645765   8.115857   7.553134   8.413675   5.966014
    24  H    5.868984   6.332715   5.829904   6.654656   4.305919
    25  H    6.760171   7.426710   6.556198   7.410580   4.864874
    26  C    3.905296   4.721235   2.927514   4.176927   3.996050
    27  O    4.005972   4.606031   2.935001   4.290571   4.776272
    28  N    4.756542   5.569649   3.832916   5.181519   4.311491
    29  H    3.530449   4.497024   2.761786   3.576355   3.330627
    30  C    5.270801   6.203288   4.557721   5.616490   4.082990
    31  H    6.285836   7.236480   5.546141   6.547550   5.069095
    32  H    5.511097   6.371917   4.876446   6.009867   4.132121
    33  H    4.768431   5.788680   4.214023   4.960460   3.329144
    34  C    5.724053   6.366354   4.727137   6.295405   5.516097
    35  H    6.638247   7.309499   5.615442   7.111306   6.407901
    36  H    5.461363   5.946846   4.414337   6.103465   5.717751
    37  H    6.110598   6.727257   5.204366   6.785116   5.630665
    38  C    5.512241   5.185458   5.167886   6.603472   6.298907
    39  O    5.081049   4.595686   4.981973   6.161122   5.991811
    40  N    5.231092   4.999725   4.649341   6.267667   6.209545
    41  H    6.459861   6.208941   6.091209   7.557235   6.962777
    42  C    4.273283   3.969851   3.645271   5.223581   5.728150
    43  H    3.491894   3.036973   3.099007   4.483398   5.101941
    44  H    4.962364   4.516130   4.360697   5.821448   6.674561
    45  H    4.039821   3.993621   3.187280   4.900967   5.358920
    46  C    6.216476   6.157896   5.461815   7.201114   6.935924
    47  H    6.992930   6.937428   6.306672   8.016507   7.475152
    48  H    5.889246   6.021674   5.032478   6.813267   6.384127
    49  H    6.792352   6.666114   5.986187   7.721955   7.754249
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795407   0.000000
    13  H    1.791366   1.798502   0.000000
    14  C    5.577635   5.372803   6.931251   0.000000
    15  O    6.251562   6.293739   7.757294   1.242859   0.000000
    16  N    5.487408   4.898408   6.609878   1.360839   2.315644
    17  H    5.293034   5.128357   6.599418   1.108235   2.057758
    18  C    6.224671   5.597550   7.304704   2.469173   2.862814
    19  H    5.851441   5.074184   6.762453   3.267575   3.772263
    20  H    7.233666   6.471333   8.223116   3.083272   3.422839
    21  H    6.427137   6.083129   7.685804   2.572077   2.474025
    22  C    5.128922   4.147255   5.917485   2.466883   3.636559
    23  H    6.124209   4.970734   6.744813   3.172448   4.276439
    24  H    4.533856   3.365178   5.163653   3.198338   4.280665
    25  H    4.812573   3.946831   5.607882   2.552496   3.794215
    26  C    2.952669   4.592423   4.592549   5.661518   5.773969
    27  O    3.841908   5.472793   5.369356   6.421024   6.356162
    28  N    3.277383   4.598961   5.038419   4.486014   4.571927
    29  H    2.278056   4.040701   3.728430   6.094703   6.404143
    30  C    3.117788   4.128552   4.710192   4.068656   4.463465
    31  H    4.099176   5.097644   5.584358   4.487841   4.778915
    32  H    3.352951   3.906568   4.891294   3.025060   3.576274
    33  H    2.376671   3.467778   3.786395   4.773545   5.341187
    34  C    4.562691   5.691822   6.352318   4.143300   3.833380
    35  H    5.395503   6.608263   7.161444   4.783760   4.351556
    36  H    4.826605   5.991940   6.595936   4.679022   4.251607
    37  H    4.786476   5.595590   6.543749   3.098427   2.738931
    38  C    6.256958   6.246505   7.334460   5.583104   5.438531
    39  O    6.150931   5.956983   6.953476   6.254920   6.314838
    40  N    5.949735   6.324065   7.238897   5.543994   5.231704
    41  H    6.906226   6.766544   8.029847   5.250922   5.015302
    42  C    5.429100   6.091043   6.654900   6.342790   6.129688
    43  H    4.984187   5.494799   5.980606   6.579027   6.564946
    44  H    6.369044   7.110410   7.542341   7.334656   7.018492
    45  H    4.869634   5.794838   6.266944   5.996157   5.764311
    46  C    6.493434   6.997438   7.989785   5.097931   4.485515
    47  H    7.095335   7.385275   8.560736   4.810496   4.118274
    48  H    5.812858   6.458782   7.425340   4.439403   3.826454
    49  H    7.256903   7.915110   8.771973   6.058877   5.333555
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056782   0.000000
    18  C    1.466018   3.417790   0.000000
    19  H    2.099825   4.089526   1.101654   0.000000
    20  H    2.122330   3.990110   1.102788   1.790961   0.000000
    21  H    2.102146   3.650442   1.097216   1.797827   1.797563
    22  C    1.463637   2.561488   2.492808   2.614676   2.933403
    23  H    2.115582   3.298537   2.808541   2.952762   2.830108
    24  H    2.106680   3.356123   2.724521   2.386057   3.321745
    25  H    2.105897   2.157806   3.419631   3.629789   3.894878
    26  C    6.145745   5.478235   6.807992   6.760326   7.884114
    27  O    6.885316   6.395338   7.343736   7.256432   8.432098
    28  N    5.153963   4.248234   5.950821   6.088428   6.979372
    29  H    6.461169   5.781144   7.221059   7.082548   8.287704
    30  C    4.749374   3.502165   5.837642   6.033622   6.783458
    31  H    5.368791   3.778100   6.541626   6.868129   7.415767
    32  H    3.684021   2.443703   4.848435   5.112377   5.750427
    33  H    5.229330   4.158550   6.326616   6.365919   7.280147
    34  C    5.011064   4.139316   5.638679   5.958283   6.614730
    35  H    5.815807   4.669980   6.507160   6.927475   7.420876
    36  H    5.389316   4.885270   5.752894   5.972689   6.756447
    37  H    4.056325   3.187685   4.720180   5.170098   5.641810
    38  C    5.078378   6.445613   4.158814   3.645246   4.915430
    39  O    5.556466   7.037819   4.665548   3.893543   5.388935
    40  N    5.355662   6.328841   4.696653   4.394294   5.574957
    41  H    4.721256   6.224762   3.593252   3.237738   4.187913
    42  C    6.220122   6.952332   5.791861   5.396461   6.759603
    43  H    6.275667   7.132286   5.865804   5.287833   6.837691
    44  H    7.250401   7.969150   6.743743   6.362177   7.664232
    45  H    6.073924   6.482499   5.889761   5.623818   6.920798
    46  C    5.218898   5.922674   4.643387   4.686942   5.466808
    47  H    4.865066   5.762253   4.091706   4.261955   4.761690
    48  H    4.772551   5.142407   4.507142   4.666316   5.421414
    49  H    6.277217   6.853657   5.703725   5.769370   6.479844
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390484   0.000000
    23  H    3.838601   1.102397   0.000000
    24  H    3.601852   1.102698   1.790037   0.000000
    25  H    4.176554   1.098944   1.797470   1.795416   0.000000
    26  C    6.546829   6.446779   7.548455   6.185319   6.131224
    27  O    6.939534   7.327871   8.426285   7.013538   7.137053
    28  N    5.690226   5.569421   6.657876   5.512833   5.198403
    29  H    7.113182   6.514207   7.596616   6.170219   6.106726
    30  C    5.809900   4.891743   5.933440   4.962464   4.279015
    31  H    6.483464   5.550746   6.526621   5.781627   4.823396
    32  H    4.906105   3.849853   4.880300   4.034188   3.260985
    33  H    6.428619   5.087564   6.111281   4.993585   4.420058
    34  C    5.144465   5.786255   6.826004   5.885048   5.559492
    35  H    5.977235   6.614345   7.621079   6.818703   6.291565
    36  H    5.128608   6.252530   7.289341   6.228168   6.189424
    37  H    4.240850   4.953722   5.943353   5.188079   4.781749
    38  C    3.634403   5.852923   6.491865   5.351040   6.604385
    39  O    4.399900   6.055300   6.643989   5.359419   6.832556
    40  N    3.998816   6.244151   7.032405   5.829667   6.824733
    41  H    2.974635   5.643130   6.160473   5.297999   6.479988
    42  C    5.206725   6.926336   7.815163   6.391805   7.364695
    43  H    5.466178   6.768317   7.634583   6.083549   7.223324
    44  H    6.085420   8.005324   8.875713   7.476084   8.457055
    45  H    5.297981   6.785166   7.758101   6.332596   7.070647
    46  C    3.716369   6.355267   7.145782   6.187931   6.861454
    47  H    3.073679   6.111218   6.776585   6.052649   6.720203
    48  H    3.632372   5.898007   6.778297   5.809555   6.251250
    49  H    4.734661   7.438656   8.233740   7.280677   7.910750
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242506   0.000000
    28  N    1.361063   2.315189   0.000000
    29  H    1.107957   2.057806   2.056528   0.000000
    30  C    2.467644   3.636247   1.464020   2.563300   0.000000
    31  H    3.128281   4.220003   2.117656   3.247308   1.103042
    32  H    3.240415   4.331522   2.108255   3.406072   1.102349
    33  H    2.558354   3.800469   2.104095   2.167721   1.098772
    34  C    2.463240   2.852749   1.464993   3.413500   2.496256
    35  H    3.026182   3.324088   2.124187   3.945645   2.953475
    36  H    2.586955   2.504968   2.101032   3.659318   3.388752
    37  H    3.292226   3.809671   2.097616   4.112560   2.611272
    38  C    6.251529   6.091021   6.120322   6.830342   6.867619
    39  O    6.611321   6.480553   6.638936   7.021489   7.307135
    40  N    5.356393   5.031539   5.293227   6.075078   6.258327
    41  H    6.877855   6.804072   6.545345   7.502675   7.186029
    42  C    4.686881   4.146705   4.991020   5.343403   6.113742
    43  H    4.814097   4.396253   5.239348   5.261265   6.225247
    44  H    5.401995   4.655423   5.815128   6.091346   7.036202
    45  H    3.683953   3.092851   4.026875   4.434704   5.254339
    46  C    5.389847   5.075812   5.073730   6.279766   6.072604
    47  H    6.203407   6.024296   5.707870   7.066709   6.532250
    48  H    4.488704   4.286812   4.048390   5.423006   5.056212
    49  H    5.823513   5.300196   5.625722   6.781683   6.764475
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787847   0.000000
    33  H    1.799100   1.795482   0.000000
    34  C    2.825165   2.720986   3.418970   0.000000
    35  H    2.868302   3.332758   3.914002   1.103398   0.000000
    36  H    3.853618   3.591162   4.167618   1.097599   1.796443
    37  H    2.960002   2.376546   3.622115   1.099435   1.790714
    38  C    7.800784   6.401359   7.229134   5.774264   6.758924
    39  O    8.318469   6.865595   7.494204   6.537830   7.577311
    40  N    7.130437   5.955775   6.701693   4.824378   5.743725
    41  H    8.053158   6.589482   7.649218   6.040772   6.977064
    42  C    7.016297   6.051679   6.408230   4.775258   5.674718
    43  H    7.215270   6.153516   6.343356   5.303744   6.277090
    44  H    7.888039   7.046503   7.342184   5.511464   6.300411
    45  H    6.101852   5.322701   5.589147   3.826857   4.687639
    46  C    6.779319   5.751304   6.729954   4.226945   4.987416
    47  H    7.201603   6.047040   7.242035   4.788977   5.518208
    48  H    5.712260   4.785282   5.777955   3.130488   3.902294
    49  H    7.398925   6.563372   7.445462   4.678401   5.279680
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795313   0.000000
    38  C    5.130034   5.483486   0.000000
    39  O    5.932649   6.305726   1.242810   0.000000
    40  N    4.029797   4.711931   1.362029   2.314977   0.000000
    41  H    5.483205   5.572269   1.108479   2.058541   2.059104
    42  C    3.883358   4.977217   2.470833   2.862252   1.465797
    43  H    4.538496   5.489706   2.573772   2.466508   2.105171
    44  H    4.517531   5.803794   3.093757   3.445430   2.120194
    45  H    2.912121   4.189485   3.262007   3.755589   2.100133
    46  C    3.429641   4.025453   2.467715   3.634293   1.463360
    47  H    4.157624   4.351186   2.554818   3.796332   2.105939
    48  H    2.388060   2.948610   3.151511   4.222274   2.108060
    49  H    3.748205   4.644895   3.217792   4.323775   2.112463
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420068   0.000000
    43  H    3.655501   1.097631   0.000000
    44  H    3.994339   1.102549   1.796090   0.000000
    45  H    4.089172   1.100866   1.796449   1.790868   0.000000
    46  C    2.565997   2.488814   3.385952   2.940746   2.600733
    47  H    2.163158   3.418628   4.185334   3.876273   3.639125
    48  H    3.299499   2.758453   3.609616   3.390874   2.426406
    49  H    3.362459   2.762260   3.804280   2.802819   2.860163
                   46         47         48         49
    46  C    0.000000
    47  H    1.098583   0.000000
    48  H    1.103677   1.795544   0.000000
    49  H    1.101794   1.796740   1.791573   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2160740      0.1960227      0.1839409
 Leave Link  202 at Mon Nov 14 05:09:27 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.0526569505 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1851748277 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1850.8674821227 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4043
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.25D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     228
 GePol: Fraction of low-weight points (<1% of avg)   =       5.64%
 GePol: Cavity surface area                          =    468.556 Ang**2
 GePol: Cavity volume                                =    458.688 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040482988 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1850.8634338240 Hartrees.
 Leave Link  301 at Mon Nov 14 05:09:27 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37514.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:09:29 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:09:29 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.001020    0.001564    0.000709
         Rot=    1.000000   -0.000082    0.000006   -0.000039 Ang=  -0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:09:30 2016, MaxMem=  2952790016 cpu:         7.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49037547.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   2550.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.99D-15 for   1465   1218.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.44D-15 for   3232.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.42D-10 for   1795   1377.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.11D-14 for   1923.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.25D-14 for   1366     26.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   1807.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.15D-15 for   2008    659.
 E= -1013.45140837344    
 DIIS: error= 1.10D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45140837344     IErMin= 1 ErrMin= 1.10D-04
 ErrMax= 1.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-05 BMatP= 2.30D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.10D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.69D-05 MaxDP=9.90D-04              OVMax= 1.36D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.69D-05    CP:  1.00D+00
 E= -1013.45144496308     Delta-E=       -0.000036589640 Rises=F Damp=F
 DIIS: error= 4.14D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45144496308     IErMin= 2 ErrMin= 4.14D-05
 ErrMax= 4.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.56D-07 BMatP= 2.30D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.498D-01 0.950D+00
 Coeff:      0.498D-01 0.950D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.68D-06 MaxDP=5.10D-04 DE=-3.66D-05 OVMax= 8.51D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.46D-06    CP:  1.00D+00  9.35D-01
 E= -1013.45144092423     Delta-E=        0.000004038856 Rises=F Damp=F
 DIIS: error= 1.18D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45144496308     IErMin= 2 ErrMin= 4.14D-05
 ErrMax= 1.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.70D-06 BMatP= 9.56D-07
 IDIUse=3 WtCom= 4.79D-01 WtEn= 5.21D-01
 Coeff-Com:  0.374D-02 0.716D+00 0.280D+00
 Coeff-En:   0.000D+00 0.797D+00 0.203D+00
 Coeff:      0.179D-02 0.758D+00 0.240D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=5.44D-06 MaxDP=3.49D-04 DE= 4.04D-06 OVMax= 6.01D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.81D-06    CP:  1.00D+00  9.56D-01  4.00D-01
 E= -1013.45144574150     Delta-E=       -0.000004817269 Rises=F Damp=F
 DIIS: error= 8.92D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45144574150     IErMin= 4 ErrMin= 8.92D-06
 ErrMax= 8.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.56D-08 BMatP= 9.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.312D-04 0.266D+00 0.433D-01 0.690D+00
 Coeff:     -0.312D-04 0.266D+00 0.433D-01 0.690D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.08D-06 MaxDP=4.46D-05 DE=-4.82D-06 OVMax= 5.40D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.43D-07    CP:  1.00D+00  9.65D-01  3.08D-01  7.04D-01
 E= -1013.45144579669     Delta-E=       -0.000000055190 Rises=F Damp=F
 DIIS: error= 2.13D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45144579669     IErMin= 5 ErrMin= 2.13D-06
 ErrMax= 2.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.68D-09 BMatP= 6.56D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.206D-04 0.139D+00 0.187D-01 0.416D+00 0.426D+00
 Coeff:      0.206D-04 0.139D+00 0.187D-01 0.416D+00 0.426D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.04D-07 MaxDP=1.12D-05 DE=-5.52D-08 OVMax= 1.35D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.48D-07    CP:  1.00D+00  9.66D-01  3.10D-01  7.15D-01  6.92D-01
 E= -1013.45144580185     Delta-E=       -0.000000005160 Rises=F Damp=F
 DIIS: error= 4.91D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45144580185     IErMin= 6 ErrMin= 4.91D-07
 ErrMax= 4.91D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.95D-10 BMatP= 5.68D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-05 0.539D-01 0.700D-02 0.169D+00 0.221D+00 0.549D+00
 Coeff:     -0.179D-05 0.539D-01 0.700D-02 0.169D+00 0.221D+00 0.549D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=4.47D-08 MaxDP=2.53D-06 DE=-5.16D-09 OVMax= 3.83D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.79D-08    CP:  1.00D+00  9.66D-01  3.11D-01  7.19D-01  6.88D-01
                    CP:  8.62D-01
 E= -1013.45144580188     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 1.31D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45144580188     IErMin= 7 ErrMin= 1.31D-07
 ErrMax= 1.31D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.45D-11 BMatP= 1.95D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-04 0.131D-01 0.169D-02 0.439D-01 0.746D-01 0.334D+00
 Coeff-Com:  0.533D+00
 Coeff:     -0.126D-04 0.131D-01 0.169D-02 0.439D-01 0.746D-01 0.334D+00
 Coeff:      0.533D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.75D-08 MaxDP=7.23D-07 DE=-3.68D-11 OVMax= 1.17D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.19D-08    CP:  1.00D+00  9.66D-01  3.11D-01  7.20D-01  6.94D-01
                    CP:  8.58D-01  6.71D-01
 E= -1013.45144580196     Delta-E=       -0.000000000075 Rises=F Damp=F
 DIIS: error= 4.10D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45144580196     IErMin= 8 ErrMin= 4.10D-08
 ErrMax= 4.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-12 BMatP= 3.45D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.680D-05 0.403D-02 0.542D-03 0.140D-01 0.270D-01 0.141D+00
 Coeff-Com:  0.271D+00 0.542D+00
 Coeff:     -0.680D-05 0.403D-02 0.542D-03 0.140D-01 0.270D-01 0.141D+00
 Coeff:      0.271D+00 0.542D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=6.22D-09 MaxDP=3.11D-07 DE=-7.55D-11 OVMax= 5.38D-07

 Error on total polarization charges =  0.04310
 SCF Done:  E(RB97D) =  -1013.45144580     A.U. after    8 cycles
            NFock=  8  Conv=0.62D-08     -V/T= 2.0213
 KE= 9.923477668105D+02 PE=-6.033247063436D+03 EE= 2.176584417000D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:11:12 2016, MaxMem=  2952790016 cpu:      1168.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37514.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 05:11:20 2016, MaxMem=  2952790016 cpu:        97.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:11:20 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:11:57 2016, MaxMem=  2952790016 cpu:       442.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21252085D+00-2.54495352D+00 3.32783074D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000227870   -0.000119354   -0.000256705
      2        6          -0.000106716    0.000048698   -0.000165687
      3        8           0.000033418   -0.000033893    0.000093052
      4        7           0.000238988    0.000118710    0.000092419
      5        1           0.000012734   -0.000014209    0.000026147
      6        6          -0.000262008   -0.000164050   -0.000220119
      7        1           0.000052251    0.000052605   -0.000026506
      8        1           0.000104107   -0.000036314    0.000155860
      9        1           0.000070342    0.000051035    0.000058517
     10        6          -0.000200918    0.000265861    0.000141520
     11        1           0.000048233   -0.000071989    0.000007567
     12        1           0.000080281   -0.000006564   -0.000037814
     13        1           0.000042486    0.000015522    0.000010010
     14        6          -0.000050681   -0.000022027   -0.000030566
     15        8          -0.000030461   -0.000017034    0.000020495
     16        7          -0.000217501    0.000162257   -0.000051010
     17        1          -0.000008287   -0.000032883   -0.000016849
     18        6           0.000249675    0.000008791   -0.000268573
     19        1           0.000040020   -0.000128194    0.000079651
     20        1          -0.000003594   -0.000009071   -0.000000855
     21        1          -0.000039740    0.000008167    0.000050198
     22        6          -0.000162913    0.000016939    0.000241795
     23        1          -0.000009049    0.000067923   -0.000134292
     24        1          -0.000047294    0.000048800   -0.000049776
     25        1          -0.000013369    0.000014932   -0.000003680
     26        6           0.000019072   -0.000059713   -0.000056946
     27        8          -0.000033035   -0.000039589    0.000001928
     28        7          -0.000110018   -0.000233094    0.000021508
     29        1           0.000103060    0.000066039    0.000069437
     30        6          -0.000069817    0.000045501    0.000120793
     31        1          -0.000012875   -0.000022273   -0.000009159
     32        1           0.000113196    0.000118531   -0.000077218
     33        1          -0.000043785   -0.000007623   -0.000020825
     34        6          -0.000070916    0.000147707    0.000033606
     35        1           0.000007570   -0.000011052    0.000024762
     36        1          -0.000016797   -0.000044129   -0.000016791
     37        1          -0.000002059   -0.000052844    0.000011799
     38        6           0.000565565   -0.000016376    0.000601438
     39        8          -0.000099304    0.000093818   -0.000254610
     40        7          -0.000448198   -0.000157335   -0.000203539
     41        1          -0.000010551    0.000026835   -0.000029350
     42        6          -0.000094564    0.000101004    0.000081404
     43        1          -0.000007804   -0.000090373   -0.000033870
     44        1           0.000140456   -0.000079590    0.000079760
     45        1          -0.000056144   -0.000014096   -0.000006039
     46        6           0.000130792   -0.000122872   -0.000199366
     47        1          -0.000045936    0.000029349    0.000077506
     48        1           0.000011300    0.000097986    0.000021676
     49        1          -0.000017081   -0.000000470    0.000047297
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000601438 RMS     0.000126716
 Leave Link  716 at Mon Nov 14 05:11:57 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000343530 RMS     0.000028482
 Search for a local minimum.
 Step number 115 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .28482D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  102  103  104  105  106
                                                    108  107  110  111  112
                                                    113  114  115
 DE= -5.01D-06 DEPred=-2.77D-06 R= 1.81D+00
 TightC=F SS=  1.41D+00  RLast= 6.98D-02 DXNew= 5.3863D-01 2.0951D-01
 Trust test= 1.81D+00 RLast= 6.98D-02 DXMaxT set to 3.20D-01
 ITU=  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1
 ITU= -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0
 ITU=  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---   -0.00001   0.00001   0.00039   0.00060   0.00083
     Eigenvalues ---    0.00095   0.00144   0.00171   0.00192   0.00213
     Eigenvalues ---    0.00241   0.00279   0.00331   0.00363   0.00451
     Eigenvalues ---    0.00534   0.00654   0.00702   0.00774   0.00830
     Eigenvalues ---    0.00837   0.00887   0.00967   0.00981   0.01076
     Eigenvalues ---    0.01170   0.01212   0.01238   0.01340   0.01396
     Eigenvalues ---    0.01479   0.01568   0.01667   0.01702   0.01765
     Eigenvalues ---    0.01793   0.01815   0.01887   0.01943   0.02030
     Eigenvalues ---    0.02108   0.02256   0.02293   0.02397   0.02463
     Eigenvalues ---    0.02517   0.02594   0.02951   0.03123   0.03218
     Eigenvalues ---    0.03537   0.04180   0.04438   0.04712   0.05456
     Eigenvalues ---    0.05538   0.05910   0.06023   0.06149   0.06289
     Eigenvalues ---    0.06447   0.06734   0.06764   0.07038   0.07258
     Eigenvalues ---    0.07469   0.07628   0.07817   0.08032   0.08123
     Eigenvalues ---    0.08377   0.08485   0.08768   0.08876   0.08974
     Eigenvalues ---    0.09247   0.09306   0.09472   0.09542   0.09763
     Eigenvalues ---    0.09918   0.10101   0.10458   0.10551   0.10824
     Eigenvalues ---    0.10920   0.11120   0.11274   0.11496   0.12284
     Eigenvalues ---    0.13284   0.13817   0.14426   0.14814   0.15026
     Eigenvalues ---    0.15306   0.15462   0.20277   0.22218   0.22252
     Eigenvalues ---    0.22922   0.24501   0.24611   0.25280   0.25774
     Eigenvalues ---    0.26802   0.27074   0.28057   0.28581   0.29381
     Eigenvalues ---    0.29604   0.30624   0.32773   0.32805   0.32841
     Eigenvalues ---    0.32927   0.33242   0.33302   0.33360   0.33363
     Eigenvalues ---    0.33392   0.33422   0.33460   0.33505   0.33709
     Eigenvalues ---    0.33808   0.33822   0.33839   0.33949   0.33966
     Eigenvalues ---    0.34060   0.34228   0.34259   0.34960   0.37007
     Eigenvalues ---    0.39636   0.40870   0.85981   0.86301   0.86648
     Eigenvalues ---    0.89555
 Eigenvalue     1 is  -9.06D-06 should be greater than     0.000000 Eigenvector:
                          R4        R3        R21      D389      D197
   1                    0.22679   0.16897   0.16730   0.13563  -0.12098
                         D391      D196      D273      D398       D82
   1                    0.11590  -0.10479   0.10417  -0.10406   0.10074
 Eigenvalue     2 is   1.09D-05 Eigenvector:
                         D399      D407      D397      D405      D379
   1                   -0.23249  -0.22656  -0.22576  -0.22132  -0.21839
                         D395      D403      D377      D401      D393
   1                   -0.21753  -0.21692  -0.21648  -0.21490  -0.21386
 Use linear search instead of GDIIS.
 RFO step:  Lambda=-1.15079975D-04 EMin=-1.00000000D-04
 Quartic linear search produced a step of  0.49617.
 Maximum step size (   0.320) exceeded in Quadratic search.
    -- Step size scaled by   0.218
 Iteration  1 RMS(Cart)=  0.01860450 RMS(Int)=  0.00066827
 Iteration  2 RMS(Cart)=  0.00033774 RMS(Int)=  0.00021279
 Iteration  3 RMS(Cart)=  0.00000029 RMS(Int)=  0.00021279
 ITry= 1 IFail=0 DXMaxC= 1.25D-01 DCOld= 1.00D+10 DXMaxT= 3.20D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58815   0.00001   0.00103  -0.00775  -0.00670   6.58145
    R2        6.24948   0.00003   0.00017  -0.03482  -0.03446   6.21502
    R3        7.19037   0.00000   0.00200  -0.09517  -0.09332   7.09706
    R4        6.25117   0.00000   0.00326  -0.12785  -0.12462   6.12655
    R5        6.52977  -0.00004  -0.00037  -0.01404  -0.01432   6.51544
    R6        5.97532   0.00001   0.00105  -0.02086  -0.01971   5.95562
    R7        6.68429   0.00003   0.00206   0.02045   0.02251   6.70680
    R8        6.21746  -0.00001   0.00007  -0.01080  -0.01077   6.20669
    R9        6.64414  -0.00006   0.00010  -0.02486  -0.02478   6.61935
   R10        6.05472  -0.00001   0.00114  -0.00605  -0.00487   6.04984
   R11        6.93616  -0.00005  -0.00022  -0.01094  -0.01127   6.92489
   R12        6.01962   0.00000  -0.00039  -0.00264  -0.00302   6.01660
   R13        6.88294   0.00001  -0.00005   0.01011   0.01002   6.89296
   R14        6.19271  -0.00003  -0.00044  -0.00754  -0.00812   6.18460
   R15        6.83563  -0.00001   0.00030  -0.02177  -0.02152   6.81411
   R16        5.93964   0.00001   0.00013  -0.01554  -0.01537   5.92427
   R17        6.69974  -0.00006  -0.00043   0.00543   0.00489   6.70463
   R18        6.54928  -0.00005   0.00188  -0.00541  -0.00347   6.54581
   R19        6.21668   0.00000   0.00017   0.00503   0.00511   6.22179
   R20        6.56688  -0.00002  -0.00045  -0.02962  -0.03012   6.53676
   R21        6.04485  -0.00004   0.00095  -0.09246  -0.09136   5.95349
   R22        7.02373  -0.00005  -0.00099   0.03315   0.03200   7.05573
   R23        6.04818  -0.00001  -0.00166   0.02538   0.02379   6.07197
   R24        2.34956   0.00000   0.00000  -0.00049  -0.00049   2.34907
   R25        2.57152   0.00008   0.00011   0.00301   0.00290   2.57442
   R26        2.09474  -0.00003  -0.00001  -0.00034  -0.00036   2.09438
   R27        2.76637  -0.00013  -0.00015   0.00458   0.00428   2.77065
   R28        2.76930  -0.00011  -0.00010   0.00187   0.00136   2.77066
   R29        2.07657   0.00000   0.00001   0.00009   0.00010   2.07666
   R30        2.08198   0.00012   0.00015   0.00300   0.00343   2.08541
   R31        2.08241   0.00004   0.00006  -0.00053  -0.00048   2.08194
   R32        2.08079   0.00000   0.00001  -0.00110  -0.00098   2.07982
   R33        2.07476  -0.00001  -0.00003  -0.00024  -0.00027   2.07449
   R34        2.08333   0.00002   0.00003  -0.00022  -0.00019   2.08314
   R35        2.34866   0.00004   0.00005  -0.00032  -0.00027   2.34839
   R36        2.57161   0.00004   0.00015   0.00822   0.00835   2.57996
   R37        2.09426   0.00001   0.00003  -0.00015  -0.00012   2.09414
   R38        2.77037  -0.00019  -0.00050  -0.00566  -0.00627   2.76411
   R39        2.76587  -0.00007  -0.00011   0.00407   0.00387   2.76974
   R40        2.08183  -0.00011  -0.00030  -0.00331  -0.00341   2.07842
   R41        2.08397   0.00001   0.00001   0.00025   0.00027   2.08423
   R42        2.07344   0.00006   0.00004   0.00037   0.00041   2.07385
   R43        2.08323   0.00001   0.00002   0.00001   0.00002   2.08325
   R44        2.08380   0.00002  -0.00016  -0.00103  -0.00069   2.08311
   R45        2.07670  -0.00001  -0.00002   0.00030   0.00028   2.07698
   R46        2.34800  -0.00002   0.00003  -0.00013  -0.00010   2.34790
   R47        2.57204   0.00006   0.00001   0.00057   0.00088   2.57291
   R48        2.09374  -0.00001  -0.00003  -0.00006  -0.00009   2.09364
   R49        2.76660  -0.00008  -0.00015  -0.00068  -0.00035   2.76624
   R50        2.76844   0.00000  -0.00003  -0.00151  -0.00142   2.76702
   R51        2.08445   0.00000   0.00001   0.00011   0.00011   2.08456
   R52        2.08314  -0.00007  -0.00023  -0.00503  -0.00547   2.07767
   R53        2.07638   0.00000  -0.00002   0.00003   0.00001   2.07639
   R54        2.08512   0.00002   0.00004   0.00033   0.00037   2.08549
   R55        2.07416  -0.00002  -0.00006  -0.00105  -0.00111   2.07305
   R56        2.07763   0.00002   0.00002   0.00036   0.00038   2.07801
   R57        2.34857   0.00028   0.00016   0.00024   0.00039   2.34897
   R58        2.57386  -0.00034  -0.00052   0.00036   0.00002   2.57388
   R59        2.09472  -0.00002  -0.00001  -0.00068  -0.00070   2.09402
   R60        2.76995   0.00004  -0.00005   0.00428   0.00451   2.77447
   R61        2.76535  -0.00001   0.00002   0.00195   0.00151   2.76686
   R62        2.07422   0.00003   0.00008  -0.00028  -0.00021   2.07401
   R63        2.08352  -0.00005  -0.00002  -0.00030  -0.00031   2.08320
   R64        2.08034  -0.00003   0.00003   0.00336   0.00357   2.08390
   R65        2.07602   0.00001  -0.00003   0.00004   0.00001   2.07604
   R66        2.08565  -0.00004  -0.00014   0.00048   0.00028   2.08593
   R67        2.08209   0.00004   0.00003  -0.00013  -0.00010   2.08198
    A1        0.68473   0.00000  -0.00014   0.00769   0.00744   0.69217
    A2        0.96217   0.00002  -0.00013   0.01025   0.01005   0.97222
    A3        0.72750  -0.00001  -0.00005   0.00170   0.00150   0.72901
    A4        1.01999   0.00001  -0.00007   0.00325   0.00306   1.02305
    A5        2.37312  -0.00001  -0.00076   0.01134   0.01063   2.38375
    A6        2.03953  -0.00001  -0.00024   0.00981   0.00964   2.04917
    A7        1.96955  -0.00001   0.00058   0.00792   0.00852   1.97807
    A8        1.66986   0.00001   0.00075   0.00527   0.00604   1.67590
    A9        1.67766  -0.00001  -0.00058   0.00881   0.00833   1.68599
   A10        1.39261  -0.00002  -0.00047   0.00811   0.00764   1.40026
   A11        1.73800   0.00001  -0.00001  -0.00279  -0.00274   1.73526
   A12        2.04669   0.00002  -0.00029  -0.00238  -0.00256   2.04413
   A13        1.95713   0.00001  -0.00068   0.00000  -0.00051   1.95662
   A14        2.05596  -0.00002  -0.00098   0.00352   0.00268   2.05864
   A15        2.43695   0.00001  -0.00007  -0.00345  -0.00340   2.43355
   A16        1.58850   0.00003   0.00113   0.03175   0.03290   1.62140
   A17        1.78919   0.00001   0.00102   0.03064   0.03167   1.82086
   A18        1.56751   0.00002   0.00081   0.02587   0.02677   1.59428
   A19        1.70842   0.00002   0.00090   0.01689   0.01773   1.72615
   A20        2.19149   0.00001   0.00109   0.02831   0.02932   2.22081
   A21        2.41078   0.00000   0.00097   0.02905   0.02996   2.44074
   A22        0.64946   0.00000  -0.00016   0.01138   0.01123   0.66070
   A23        0.66027   0.00000  -0.00006   0.00331   0.00320   0.66347
   A24        2.44460   0.00002  -0.00133   0.00876   0.00741   2.45201
   A25        2.25211   0.00001  -0.00063   0.00886   0.00821   2.26031
   A26        2.32153   0.00001   0.00032   0.00887   0.00913   2.33066
   A27        2.04523   0.00002   0.00061   0.00581   0.00637   2.05161
   A28        1.84473   0.00002  -0.00071   0.00740   0.00669   1.85142
   A29        1.59733   0.00001  -0.00046   0.00722   0.00664   1.60397
   A30        1.34323   0.00000   0.00004  -0.00404  -0.00388   1.33934
   A31        1.64777   0.00001  -0.00024  -0.00371  -0.00379   1.64398
   A32        1.60579   0.00001  -0.00065  -0.00118  -0.00159   1.60420
   A33        1.77012  -0.00002  -0.00095   0.00220   0.00144   1.77156
   A34        2.04000   0.00000  -0.00007  -0.00459  -0.00448   2.03552
   A35        1.85732   0.00002   0.00107   0.03387   0.03503   1.89235
   A36        1.92621   0.00000   0.00100   0.03125   0.03224   1.95845
   A37        1.57777   0.00001   0.00084   0.02617   0.02704   1.60481
   A38        1.59666   0.00000   0.00092   0.01524   0.01612   1.61278
   A39        2.28058  -0.00001   0.00092   0.02616   0.02695   2.30753
   A40        2.37438  -0.00002   0.00064   0.02442   0.02486   2.39924
   A41        0.69419  -0.00003  -0.00018   0.00861   0.00838   0.70258
   A42        0.75138   0.00000  -0.00028   0.00890   0.00867   0.76005
   A43        2.71646   0.00001  -0.00162   0.00701   0.00505   2.72150
   A44        2.63900   0.00000  -0.00090   0.01596   0.01493   2.65394
   A45        2.64818  -0.00001   0.00060   0.01466   0.01513   2.66332
   A46        2.33641   0.00001   0.00076   0.01228   0.01297   2.34938
   A47        2.22955   0.00000  -0.00092   0.01451   0.01350   2.24305
   A48        1.98788  -0.00001  -0.00065   0.01499   0.01417   2.00205
   A49        1.10323   0.00001   0.00000  -0.00825  -0.00806   1.09517
   A50        1.46666   0.00002  -0.00017  -0.00763  -0.00758   1.45908
   A51        1.57875   0.00001  -0.00065  -0.00172  -0.00207   1.57668
   A52        1.82500  -0.00002  -0.00092   0.00205   0.00135   1.82635
   A53        1.78433   0.00001   0.00015  -0.01034  -0.00997   1.77436
   A54        1.71905   0.00001   0.00105   0.02814   0.02924   1.74829
   A55        1.65334   0.00002   0.00109   0.02269   0.02370   1.67704
   A56        1.25182   0.00002   0.00100   0.01814   0.01912   1.27094
   A57        1.21892   0.00002   0.00111   0.00699   0.00810   1.22702
   A58        1.94550   0.00001   0.00097   0.01568   0.01650   1.96200
   A59        1.99216   0.00000   0.00076   0.01505   0.01569   2.00785
   A60        0.84835  -0.00002  -0.00017   0.01429   0.01416   0.86251
   A61        0.78541   0.00000  -0.00032   0.01561   0.01541   0.80083
   A62        2.64401   0.00000  -0.00117  -0.00237  -0.00392   2.64009
   A63        2.81636   0.00001  -0.00119   0.01413   0.01254   2.82890
   A64        2.59001   0.00003   0.00087   0.01233   0.01308   2.60309
   A65        2.43218   0.00002  -0.00093   0.01666   0.01564   2.44781
   A66        2.22940   0.00001  -0.00062   0.01833   0.01758   2.24697
   A67        0.86455  -0.00001  -0.00006  -0.00747  -0.00728   0.85727
   A68        1.24250   0.00000  -0.00014  -0.00720  -0.00710   1.23541
   A69        1.43438  -0.00001  -0.00057   0.00042   0.00020   1.43459
   A70        1.71352  -0.00002  -0.00075   0.00329   0.00278   1.71630
   A71        1.52105  -0.00001   0.00018  -0.01176  -0.01136   1.50968
   A72        1.73522   0.00000   0.00085   0.01916   0.01989   1.75510
   A73        1.56397   0.00002   0.00093   0.01332   0.01404   1.57800
   A74        1.13378   0.00001   0.00090   0.01038   0.01110   1.14488
   A75        1.02331   0.00001   0.00103   0.00042   0.00139   1.02470
   A76        1.77864   0.00000   0.00076   0.00598   0.00657   1.78520
   A77        1.76756  -0.00002   0.00060   0.00704   0.00753   1.77509
   A78        2.04975   0.00003  -0.00145   0.00441   0.00304   2.05279
   A79        1.97904   0.00003  -0.00093   0.00337   0.00242   1.98146
   A80        2.23922   0.00001  -0.00033   0.00425   0.00379   2.24302
   A81        2.07839   0.00002   0.00016   0.00098   0.00098   2.07937
   A82        1.58389   0.00004  -0.00076   0.00223   0.00141   1.58530
   A83        1.40901   0.00002  -0.00040   0.00222   0.00162   1.41063
   A84        1.19502   0.00000   0.00016  -0.00240  -0.00206   1.19296
   A85        1.38921   0.00002  -0.00025  -0.00244  -0.00245   1.38675
   A86        1.23008   0.00002  -0.00063  -0.00162  -0.00194   1.22814
   A87        1.35059   0.00000  -0.00095   0.00125   0.00058   1.35117
   A88        1.81475   0.00002  -0.00022  -0.00298  -0.00293   1.81182
   A89        2.28704   0.00000   0.00108   0.03520   0.03624   2.32328
   A90        2.33895  -0.00001   0.00096   0.03203   0.03289   2.37185
   A91        1.94579  -0.00001   0.00082   0.02669   0.02743   1.97322
   A92        1.87141  -0.00001   0.00085   0.01453   0.01532   1.88674
   A93        2.62645  -0.00002   0.00063   0.02112   0.02125   2.64770
   A94        2.56759  -0.00002   0.00009   0.01201   0.01140   2.57900
   A95        1.96542   0.00001  -0.00133  -0.00267  -0.00396   1.96146
   A96        2.03354   0.00001  -0.00089  -0.00360  -0.00459   2.02895
   A97        2.39938  -0.00001  -0.00055  -0.00193  -0.00268   2.39670
   A98        2.33190   0.00000   0.00006  -0.00319  -0.00339   2.32851
   A99        1.69325   0.00002  -0.00055  -0.00389  -0.00462   1.68863
   A100       1.59118   0.00001  -0.00016  -0.00273  -0.00321   1.58797
   A101       0.88729   0.00000   0.00008  -0.00128  -0.00097   0.88632
   A102       1.06747   0.00001  -0.00029  -0.00321  -0.00324   1.06424
   A103       0.94699   0.00000  -0.00060  -0.00409  -0.00438   0.94261
   A104       1.12139  -0.00002  -0.00083  -0.00228  -0.00285   1.11854
   A105       1.49268   0.00001  -0.00025  -0.00364  -0.00361   1.48907
   A106       2.46871   0.00001   0.00083   0.03718   0.03811   2.50682
   A107       2.34726   0.00002   0.00056   0.02791   0.02820   2.37546
   A108       1.91428   0.00002   0.00052   0.02518   0.02557   1.93985
   A109       1.74382   0.00002   0.00053   0.01360   0.01411   1.75793
   A110       2.46668   0.00000  -0.00001   0.01025   0.00963   2.47631
   A111       2.30410  -0.00001  -0.00031   0.00472   0.00387   2.30797
   A112       0.71530  -0.00002  -0.00016  -0.00053  -0.00074   0.71456
   A113       1.00766  -0.00003  -0.00024  -0.00026  -0.00051   1.00714
   A114       0.69770   0.00000  -0.00008   0.00235   0.00221   0.69991
   A115       0.98657   0.00001  -0.00010   0.00298   0.00291   0.98948
   A116       1.81679   0.00001  -0.00058  -0.00441  -0.00506   1.81173
   A117       1.43553   0.00000  -0.00057  -0.00379  -0.00448   1.43105
   A118       1.20964   0.00001  -0.00059  -0.00297  -0.00376   1.20588
   A119       0.93299   0.00003  -0.00050  -0.00340  -0.00407   0.92892
   A120       1.24977   0.00001  -0.00038  -0.00590  -0.00640   1.24336
   A121       1.84539  -0.00002   0.00056  -0.03256  -0.03244   1.81295
   A122       1.89447  -0.00002   0.00049  -0.03651  -0.03622   1.85825
   A123       2.26053  -0.00002   0.00047  -0.03529  -0.03496   2.22557
   A124       2.19414  -0.00001   0.00004  -0.02779  -0.02777   2.16637
   A125       1.55797  -0.00001   0.00043  -0.03474  -0.03440   1.52357
   A126       1.43582   0.00001   0.00035  -0.03792  -0.03760   1.39822
   A127       0.65800  -0.00004  -0.00018  -0.00025  -0.00042   0.65758
   A128       0.66195   0.00001  -0.00001   0.00187   0.00196   0.66391
   A129       2.17819   0.00001  -0.00053  -0.00522  -0.00588   2.17231
   A130       1.80476   0.00000  -0.00055  -0.00472  -0.00544   1.79932
   A131       1.51392   0.00002  -0.00046  -0.00526  -0.00599   1.50793
   A132       1.21873   0.00003  -0.00038  -0.00580  -0.00642   1.21230
   A133       1.64443   0.00002  -0.00049  -0.00565  -0.00631   1.63812
   A134       1.70067  -0.00001   0.00046  -0.02180  -0.02186   1.67882
   A135       1.90183  -0.00003   0.00030  -0.02552  -0.02555   1.87628
   A136       2.33294  -0.00002   0.00031  -0.02389  -0.02391   2.30903
   A137       2.42235  -0.00002  -0.00009  -0.02125  -0.02150   2.40085
   A138       1.67719  -0.00001   0.00025  -0.02565  -0.02560   1.65159
   A139       1.65202   0.00001   0.00015  -0.03091  -0.03087   1.62114
   A140       0.70723  -0.00003  -0.00008   0.00176   0.00169   0.70892
   A141       0.83188  -0.00001  -0.00003   0.00197   0.00204   0.83392
   A142       2.51328  -0.00001  -0.00087  -0.00435  -0.00532   2.50796
   A143       2.13444  -0.00002  -0.00084  -0.00357  -0.00457   2.12987
   A144       1.91703  -0.00001  -0.00067  -0.00417  -0.00512   1.91191
   A145       1.62812   0.00001  -0.00055  -0.00491  -0.00571   1.62241
   A146       1.84970   0.00000  -0.00083  -0.00385  -0.00482   1.84488
   A147       1.27615   0.00002   0.00051  -0.02060  -0.02042   1.25572
   A148       1.52212  -0.00001   0.00027  -0.02010  -0.02000   1.50213
   A149       1.95274   0.00000   0.00029  -0.01783  -0.01769   1.93505
   A150       2.13853   0.00000  -0.00007  -0.01308  -0.01329   2.12524
   A151       1.39328   0.00001   0.00015  -0.01720  -0.01715   1.37612
   A152       1.46882   0.00002  -0.00001  -0.02103  -0.02107   1.44775
   A153       0.76903  -0.00004  -0.00023  -0.00106  -0.00122   0.76781
   A154       0.76540  -0.00002  -0.00016  -0.00160  -0.00164   0.76376
   A155       2.82362  -0.00002  -0.00085  -0.00430  -0.00528   2.81834
   A156       2.44181  -0.00003  -0.00084  -0.00360  -0.00461   2.43721
   A157       2.16903  -0.00002  -0.00059  -0.00600  -0.00687   2.16216
   A158       1.87284  -0.00001  -0.00053  -0.00649  -0.00726   1.86558
   A159       2.16218  -0.00002  -0.00087  -0.00201  -0.00304   2.15914
   A160       1.15408   0.00004   0.00048  -0.00812  -0.00784   1.14624
   A161       1.48634  -0.00001   0.00021  -0.00637  -0.00628   1.48007
   A162       1.88018   0.00000   0.00028  -0.00466  -0.00444   1.87575
   A163       2.14474   0.00000   0.00005  -0.00065  -0.00077   2.14396
   A164       1.48197   0.00000   0.00010  -0.00389  -0.00396   1.47801
   A165       1.63252   0.00001  -0.00005  -0.00879  -0.00902   1.62351
   A166       2.15839   0.00002  -0.00005  -0.00514  -0.00539   2.15300
   A167       1.85768   0.00001  -0.00014  -0.00509  -0.00548   1.85221
   A168       1.47168   0.00003  -0.00007  -0.00632  -0.00672   1.46496
   A169       1.19212   0.00003  -0.00006  -0.00620  -0.00656   1.18556
   A170       1.86067   0.00003  -0.00014  -0.00585  -0.00622   1.85445
   A171       1.92286   0.00000   0.00026  -0.00989  -0.01024   1.91262
   A172       2.22496  -0.00004   0.00013  -0.01565  -0.01607   2.20889
   A173       2.64478  -0.00003   0.00012  -0.00962  -0.01033   2.63445
   A174       2.07170  -0.00002   0.00019  -0.02137  -0.02153   2.05017
   A175       2.06144   0.00000   0.00015  -0.02981  -0.02986   2.03158
   A176       2.26495   0.00002   0.00023  -0.00398  -0.00397   2.26098
   A177       2.04349   0.00001   0.00005  -0.00438  -0.00454   2.03894
   A178       1.63134   0.00003   0.00012  -0.00572  -0.00591   1.62544
   A179       1.38233   0.00002   0.00007  -0.00512  -0.00532   1.37701
   A180       2.12658   0.00003  -0.00005  -0.00522  -0.00543   2.12115
   A181       1.86844   0.00001   0.00013   0.00016  -0.00024   1.86820
   A182       2.24084  -0.00003  -0.00004  -0.00298  -0.00358   2.23726
   A183       2.57102  -0.00002  -0.00009   0.00838   0.00773   2.57875
   A184       2.22071  -0.00001   0.00007  -0.01244  -0.01281   2.20790
   A185       2.28528   0.00001   0.00005  -0.02400  -0.02422   2.26105
   A186       0.69362  -0.00001  -0.00001   0.00087   0.00100   0.69462
   A187       0.98570  -0.00001  -0.00007   0.00097   0.00101   0.98671
   A188       0.69909   0.00000  -0.00005  -0.00071  -0.00070   0.69839
   A189       2.14930  -0.00003  -0.00038   0.00265   0.00228   2.15158
   A190       1.76405   0.00002  -0.00025   0.00061   0.00035   1.76440
   A191       1.43706   0.00000  -0.00010   0.00142   0.00129   1.43835
   A192       1.13071   0.00001  -0.00010  -0.00196  -0.00192   1.12879
   A193       1.64360  -0.00001  -0.00051  -0.00318  -0.00363   1.63997
   A194       1.42612  -0.00001  -0.00053   0.00064   0.00016   1.42628
   A195       0.66792  -0.00001  -0.00007   0.00098   0.00098   0.66890
   A196       2.27511  -0.00004  -0.00037  -0.01291  -0.01339   2.26172
   A197       1.87493   0.00001  -0.00017  -0.01236  -0.01260   1.86234
   A198       1.66293   0.00000   0.00002  -0.00839  -0.00850   1.65443
   A199       1.34197   0.00001  -0.00004  -0.00938  -0.00929   1.33268
   A200       1.61963  -0.00001  -0.00040  -0.01470  -0.01502   1.60461
   A201       1.35004  -0.00001  -0.00040  -0.01160  -0.01190   1.33815
   A202       0.71170   0.00001   0.00003  -0.00008  -0.00003   0.71167
   A203       2.64701  -0.00005  -0.00039  -0.02124  -0.02214   2.62488
   A204       2.26683   0.00000  -0.00019  -0.01641  -0.01690   2.24993
   A205       2.07827  -0.00001  -0.00004  -0.00598  -0.00628   2.07199
   A206       1.75731   0.00000  -0.00008  -0.00733  -0.00731   1.75000
   A207       1.95094  -0.00002  -0.00037  -0.02079  -0.02121   1.92974
   A208       1.66757  -0.00001  -0.00035  -0.01888  -0.01929   1.64827
   A209       0.82975   0.00002   0.00007  -0.00138  -0.00128   0.82848
   A210       2.63849  -0.00001  -0.00014  -0.03550  -0.03587   2.60262
   A211       2.36628   0.00001  -0.00005  -0.02852  -0.02884   2.33744
   A212       2.30695   0.00000   0.00003  -0.01389  -0.01434   2.29261
   A213       1.99190   0.00000  -0.00007  -0.01198  -0.01204   1.97986
   A214       1.98408   0.00001  -0.00016  -0.02932  -0.02952   1.95456
   A215       1.70922   0.00001  -0.00014  -0.02795  -0.02815   1.68107
   A216       1.93534  -0.00006  -0.00042  -0.02094  -0.02131   1.91403
   A217       1.56577  -0.00001  -0.00020  -0.02036  -0.02051   1.54526
   A218       1.49596  -0.00002   0.00003  -0.01818  -0.01823   1.47773
   A219       1.20293  -0.00002  -0.00009  -0.01577  -0.01573   1.18720
   A220       1.24172  -0.00003  -0.00041  -0.01916  -0.01940   1.22232
   A221       0.96013  -0.00002  -0.00040  -0.01643  -0.01657   0.94356
   A222       0.72794  -0.00003  -0.00018   0.00324   0.00319   0.73113
   A223       1.02007  -0.00004  -0.00026   0.00551   0.00527   1.02534
   A224       0.69808  -0.00003  -0.00003  -0.00205  -0.00220   0.69588
   A225       0.98187  -0.00004  -0.00005  -0.00387  -0.00411   0.97776
   A226       0.65863   0.00001  -0.00015   0.00557   0.00538   0.66402
   A227       0.66106   0.00000   0.00008  -0.00157  -0.00160   0.65945
   A228       0.70367  -0.00001   0.00005  -0.00055  -0.00056   0.70311
   A229       0.84822  -0.00002   0.00009   0.00262   0.00260   0.85082
   A230       0.75709  -0.00001  -0.00030   0.00475   0.00444   0.76154
   A231       0.77779  -0.00002  -0.00027   0.00937   0.00909   0.78687
   A232       1.59999  -0.00007  -0.00032   0.00891   0.00851   1.60850
   A233       1.85433  -0.00001   0.00046   0.00049   0.00096   1.85529
   A234       2.19058   0.00001  -0.00005  -0.00141  -0.00147   2.18911
   A235       2.12920   0.00003   0.00001   0.00063   0.00062   2.12982
   A236       1.96306  -0.00004   0.00004   0.00079   0.00085   1.96391
   A237       2.12217   0.00003   0.00019  -0.00116  -0.00101   2.12115
   A238       2.12566  -0.00004  -0.00006  -0.00118  -0.00146   2.12420
   A239       2.03403   0.00001  -0.00007   0.00176   0.00191   2.03594
   A240       1.83559   0.00004   0.00042   0.00471   0.00519   1.84077
   A241       2.53704  -0.00001  -0.00027  -0.00737  -0.00788   2.52916
   A242       1.91289   0.00003   0.00013  -0.00409  -0.00409   1.90881
   A243       1.91802   0.00001   0.00013   0.00677   0.00695   1.92496
   A244       1.91651  -0.00001  -0.00001  -0.00050  -0.00018   1.91633
   A245       1.90859   0.00002   0.00013  -0.00380  -0.00362   1.90497
   A246       1.90873  -0.00003  -0.00011   0.00120   0.00098   1.90971
   A247       1.89899  -0.00002  -0.00028   0.00043  -0.00005   1.89893
   A248       1.28859   0.00003  -0.00083   0.01134   0.01047   1.29906
   A249       1.90435   0.00009   0.00003  -0.00042  -0.00035   1.90400
   A250       1.90883   0.00003   0.00014  -0.00028  -0.00010   1.90873
   A251       1.92802  -0.00002   0.00005  -0.00046  -0.00043   1.92758
   A252       1.91049  -0.00004  -0.00009  -0.00001  -0.00018   1.91032
   A253       1.89837  -0.00003   0.00000   0.00092   0.00094   1.89932
   A254       1.91364  -0.00003  -0.00013   0.00026   0.00013   1.91377
   A255       1.72347   0.00002   0.00063   0.00516   0.00573   1.72920
   A256       1.76232   0.00002   0.00001   0.00352   0.00354   1.76586
   A257       2.19086   0.00000   0.00021  -0.00148  -0.00125   2.18961
   A258       2.13002  -0.00001  -0.00017   0.00256   0.00235   2.13238
   A259       1.96207   0.00001  -0.00004  -0.00111  -0.00113   1.96093
   A260       2.12379   0.00001   0.00006  -0.00509  -0.00500   2.11879
   A261       2.12352   0.00002   0.00000   0.00468   0.00450   2.12803
   A262       2.03535  -0.00002  -0.00003   0.00063   0.00071   2.03606
   A263       1.35435   0.00002  -0.00050  -0.01523  -0.01574   1.33860
   A264       1.90071   0.00002  -0.00002   0.00024   0.00024   1.90094
   A265       1.93076  -0.00003  -0.00002   0.00115   0.00115   1.93191
   A266       1.90851   0.00002   0.00004  -0.00137  -0.00142   1.90710
   A267       1.89662   0.00000   0.00013   0.00059   0.00072   1.89735
   A268       1.91451   0.00001   0.00003  -0.00051  -0.00045   1.91405
   A269       1.91262  -0.00002  -0.00015  -0.00010  -0.00024   1.91239
   A270       2.68213  -0.00001  -0.00004   0.00500   0.00497   2.68710
   A271       1.68135   0.00000  -0.00003  -0.00360  -0.00364   1.67771
   A272       1.92464  -0.00001   0.00014  -0.00154  -0.00139   1.92325
   A273       1.91194   0.00005   0.00007   0.00245   0.00267   1.91461
   A274       1.91479  -0.00001  -0.00019  -0.00247  -0.00266   1.91213
   A275       1.89436  -0.00002  -0.00005   0.00216   0.00200   1.89636
   A276       1.91076   0.00001   0.00003  -0.00049  -0.00049   1.91027
   A277       1.90715  -0.00003  -0.00001  -0.00004  -0.00009   1.90706
   A278       1.82197  -0.00004  -0.00044   0.01520   0.01477   1.83674
   A279       1.73656   0.00010   0.00086  -0.01137  -0.01048   1.72609
   A280       2.19028  -0.00003  -0.00030   0.00197   0.00168   2.19196
   A281       2.13108  -0.00003  -0.00004  -0.00189  -0.00189   2.12919
   A282       1.96173   0.00006   0.00035  -0.00010   0.00019   1.96192
   A283       2.12386  -0.00003   0.00009   0.00156   0.00188   2.12574
   A284       2.11622  -0.00004  -0.00032   0.00138   0.00102   2.11725
   A285       2.04055   0.00007   0.00020  -0.00348  -0.00350   2.03705
   A286       2.72314  -0.00001  -0.00006   0.00662   0.00654   2.72968
   A287       1.63490   0.00000   0.00004  -0.00610  -0.00605   1.62885
   A288       1.92638   0.00000   0.00007   0.00038   0.00045   1.92683
   A289       1.91402   0.00002  -0.00015   0.00214   0.00204   1.91606
   A290       1.91200   0.00002  -0.00004  -0.00103  -0.00112   1.91088
   A291       1.89059   0.00002   0.00025  -0.00084  -0.00053   1.89007
   A292       1.91272   0.00001   0.00007  -0.00116  -0.00108   1.91164
   A293       1.90792  -0.00006  -0.00019   0.00052   0.00025   1.90817
   A294       1.36014  -0.00002  -0.00025   0.02005   0.01982   1.37996
   A295       1.14917   0.00002   0.00035  -0.01244  -0.01208   1.13709
   A296       1.93397  -0.00001  -0.00006  -0.00035  -0.00036   1.93361
   A297       1.90781   0.00004   0.00004   0.00081   0.00088   1.90869
   A298       1.90118  -0.00002   0.00006   0.00009  -0.00008   1.90110
   A299       1.90958   0.00000  -0.00011  -0.00038  -0.00049   1.90910
   A300       1.89827   0.00000   0.00006  -0.00100  -0.00091   1.89737
   A301       1.91291   0.00000   0.00000   0.00085   0.00097   1.91387
   A302       1.62802   0.00000   0.00128  -0.03792  -0.03660   1.59143
   A303       1.81828   0.00000  -0.00080   0.04865   0.04804   1.86632
   A304       2.18802   0.00001  -0.00012  -0.00013  -0.00071   2.18731
   A305       2.13111  -0.00001  -0.00013  -0.00066  -0.00008   2.13103
   A306       1.96368   0.00000   0.00026   0.00101   0.00099   1.96467
   A307       2.12500   0.00003  -0.00008   0.00246   0.00271   2.12771
   A308       2.12359   0.00005   0.00022  -0.00163  -0.00179   2.12180
   A309       2.03071  -0.00008  -0.00013  -0.00149  -0.00160   2.02912
   A310       1.29950  -0.00003  -0.00143   0.02437   0.02310   1.32260
   A311       3.05248  -0.00007   0.00093  -0.03391  -0.03291   3.01957
   A312       1.91254  -0.00004  -0.00018  -0.00040  -0.00120   1.91134
   A313       1.92829   0.00001   0.00016  -0.00790  -0.00857   1.91972
   A314       1.90221   0.00002  -0.00036   0.00113   0.00092   1.90313
   A315       1.91008   0.00009   0.00034   0.00410   0.00501   1.91509
   A316       1.91281  -0.00002   0.00004   0.00293   0.00332   1.91614
   A317       1.89778  -0.00006   0.00000   0.00019   0.00055   1.89833
   A318       1.77978   0.00005   0.00046   0.02062   0.02103   1.80081
   A319       1.91556  -0.00003  -0.00006   0.00068   0.00067   1.91623
   A320       1.91315   0.00003   0.00013  -0.00149  -0.00157   1.91158
   A321       1.92126   0.00000  -0.00009  -0.00042  -0.00048   1.92078
   A322       1.90655   0.00006   0.00026   0.00023   0.00057   1.90713
   A323       1.91085  -0.00004  -0.00016   0.00053   0.00037   1.91123
   A324       1.89628  -0.00002  -0.00007   0.00047   0.00044   1.89671
   A325       2.93172   0.00001   0.00045   0.01817   0.01857   2.95029
   A326       3.38608   0.00001   0.00032   0.02570   0.02606   3.41214
   A327       3.10103   0.00000   0.00043   0.02501   0.02537   3.12640
   A328       3.20223   0.00000  -0.00096   0.01160   0.01060   3.21283
   A329       3.26697   0.00000  -0.00065  -0.01533  -0.01598   3.25099
   A330       3.26973  -0.00002  -0.00036   0.01968   0.01933   3.28906
   A331       3.69064   0.00001   0.00030   0.02115   0.02140   3.71204
   A332       3.26608  -0.00001  -0.00124   0.00968   0.00841   3.27449
   A333       2.94404  -0.00004   0.00021   0.00370   0.00408   2.94812
   A334       2.88707  -0.00003  -0.00021   0.00335   0.00335   2.89042
   A335       3.22584   0.00001  -0.00023  -0.00385  -0.00406   3.22178
   A336       3.07723   0.00001   0.00036   0.00168   0.00206   3.07929
   A337       3.10352   0.00000   0.00028  -0.00478  -0.00447   3.09905
   A338       3.05337   0.00001  -0.00030   0.00337   0.00312   3.05649
    D1        2.75933   0.00000  -0.00011   0.00299   0.00283   2.76216
    D2       -1.35794   0.00000  -0.00011   0.00709   0.00693  -1.35101
    D3        2.78453  -0.00001  -0.00006   0.00659   0.00655   2.79109
    D4       -1.33274   0.00000  -0.00006   0.01069   0.01065  -1.32209
    D5        1.65746   0.00003   0.00006  -0.00542  -0.00543   1.65203
    D6       -2.45981   0.00003   0.00006  -0.00132  -0.00134  -2.46115
    D7        1.83666   0.00000   0.00027  -0.00887  -0.00870   1.82796
    D8       -2.28061   0.00000   0.00027  -0.00478  -0.00461  -2.28521
    D9        0.25207  -0.00002   0.00196  -0.00124   0.00073   0.25280
   D10        2.41798  -0.00002   0.00196   0.00285   0.00483   2.42281
   D11       -0.01398  -0.00002   0.00127  -0.00076   0.00057  -0.01341
   D12        2.15194  -0.00002   0.00127   0.00334   0.00466   2.15660
   D13       -0.48154   0.00001   0.00118  -0.00309  -0.00186  -0.48340
   D14        1.68437   0.00001   0.00118   0.00101   0.00224   1.68661
   D15       -0.58580   0.00001   0.00077   0.00137   0.00220  -0.58360
   D16        1.58012   0.00001   0.00077   0.00546   0.00629   1.58641
   D17        0.18750  -0.00003   0.00057   0.00086   0.00157   0.18907
   D18        2.35342  -0.00003   0.00056   0.00496   0.00566   2.35908
   D19        0.13054  -0.00002   0.00014   0.00051   0.00083   0.13137
   D20        2.29646  -0.00002   0.00014   0.00460   0.00493   2.30138
   D21        2.38137  -0.00001   0.00034  -0.00271  -0.00240   2.37898
   D22       -1.73590  -0.00001   0.00034   0.00139   0.00170  -1.73420
   D23        2.14319  -0.00001  -0.00004  -0.00060  -0.00069   2.14250
   D24       -1.97408  -0.00001  -0.00004   0.00350   0.00340  -1.97068
   D25        1.69445   0.00000   0.00020  -0.00245  -0.00242   1.69203
   D26       -2.42282   0.00000   0.00020   0.00165   0.00168  -2.42114
   D27        1.38599   0.00000   0.00028  -0.00187  -0.00174   1.38425
   D28       -2.73128   0.00000   0.00028   0.00222   0.00235  -2.72893
   D29        2.36475   0.00002  -0.00063   0.00027  -0.00038   2.36437
   D30       -1.75252   0.00002  -0.00063   0.00437   0.00372  -1.74880
   D31       -1.73955  -0.00003   0.00020   0.00646   0.00694  -1.73261
   D32        0.42637  -0.00003   0.00020   0.01056   0.01103   0.43740
   D33       -2.09178   0.00002   0.00031   0.00417   0.00452  -2.08726
   D34        0.07414   0.00002   0.00031   0.00826   0.00861   0.08275
   D35       -2.46722   0.00000   0.00038   0.00323   0.00343  -2.46379
   D36       -0.30130   0.00000   0.00038   0.00732   0.00753  -0.29378
   D37       -2.75654   0.00000   0.00035  -0.00284  -0.00251  -2.75905
   D38       -0.59062   0.00001   0.00035   0.00126   0.00158  -0.58904
   D39       -2.11805   0.00000   0.00004   0.00037   0.00050  -2.11755
   D40        0.04786   0.00000   0.00004   0.00447   0.00460   0.05246
   D41       -2.36179  -0.00001  -0.00034  -0.00094  -0.00131  -2.36309
   D42       -0.19587  -0.00001  -0.00034   0.00316   0.00279  -0.19308
   D43        1.26302   0.00001  -0.00012  -0.00086  -0.00103   1.26200
   D44       -1.95800   0.00000   0.00080  -0.03217  -0.03141  -1.98941
   D45        2.45002   0.00001   0.00006  -0.01121  -0.01118   2.43885
   D46       -0.77100   0.00001   0.00097  -0.04251  -0.04156  -0.81256
   D47        2.93278   0.00001   0.00028  -0.01552  -0.01520   2.91758
   D48       -0.28825   0.00001   0.00119  -0.04682  -0.04558  -0.33383
   D49        2.88497  -0.00003  -0.00065   0.03811   0.03784   2.92281
   D50       -0.33606  -0.00003   0.00027   0.00681   0.00745  -0.32860
   D51        1.99291  -0.00004   0.00174   0.01198   0.01425   2.00717
   D52       -1.22811  -0.00004   0.00265  -0.01932  -0.01613  -1.24424
   D53        1.06896   0.00003   0.00226  -0.01755  -0.01552   1.05344
   D54       -2.15207   0.00003   0.00317  -0.04886  -0.04591  -2.19797
   D55        0.98028   0.00002   0.00094  -0.00643  -0.00545   0.97483
   D56       -2.24074   0.00002   0.00185  -0.03773  -0.03583  -2.27658
   D57        2.00845  -0.00003   0.00026   0.00557   0.00612   2.01457
   D58       -1.21257  -0.00003   0.00117  -0.02574  -0.02426  -1.23683
   D59        1.81942  -0.00002  -0.00007   0.00143   0.00159   1.82100
   D60       -1.40160  -0.00002   0.00084  -0.02987  -0.02880  -1.43040
   D61       -2.29842   0.00001   0.00039  -0.00934  -0.00898  -2.30741
   D62        0.76374   0.00000   0.00131  -0.04064  -0.03937   0.72437
   D63       -2.42130   0.00000  -0.00016  -0.00514  -0.00533  -2.42663
   D64        0.64087   0.00000   0.00076  -0.03644  -0.03571   0.60515
   D65       -2.82321   0.00001  -0.00025  -0.00501  -0.00531  -2.82852
   D66        0.23896   0.00001   0.00066  -0.03631  -0.03570   0.20326
   D67       -2.98972   0.00000  -0.00052  -0.00015  -0.00070  -2.99042
   D68        0.07244   0.00000   0.00039  -0.03145  -0.03109   0.04135
   D69       -2.13621   0.00002  -0.00048  -0.00306  -0.00356  -2.13977
   D70        0.92595   0.00002   0.00044  -0.03437  -0.03394   0.89201
   D71       -0.15255  -0.00003  -0.00056  -0.01932  -0.01998  -0.17253
   D72        2.90962  -0.00004   0.00035  -0.05063  -0.05037   2.85925
   D73       -0.55263   0.00002  -0.00043  -0.01991  -0.02054  -0.57317
   D74        2.50953   0.00001   0.00048  -0.05121  -0.05093   2.45860
   D75       -0.71819   0.00000  -0.00023  -0.01413  -0.01466  -0.73285
   D76        2.34398  -0.00001   0.00068  -0.04543  -0.04505   2.29893
   D77       -1.05654   0.00001  -0.00017  -0.01265  -0.01286  -1.06939
   D78        2.00563   0.00000   0.00075  -0.04395  -0.04324   1.96238
   D79       -0.83886   0.00000  -0.00076  -0.02556  -0.02644  -0.86530
   D80        2.22330   0.00000   0.00016  -0.05687  -0.05683   2.16647
   D81       -1.14274   0.00000  -0.00088  -0.02564  -0.02668  -1.16943
   D82        1.91942   0.00000   0.00003  -0.05695  -0.05707   1.86235
   D83       -1.53163   0.00003  -0.00048   0.00428   0.00387  -1.52776
   D84       -2.61145   0.00001  -0.00039  -0.00196  -0.00217  -2.61362
   D85       -2.94561  -0.00002  -0.00046   0.00269   0.00239  -2.94322
   D86        0.72724  -0.00001  -0.00013   0.01660   0.01657   0.74381
   D87        0.29638  -0.00002   0.00013   0.01584   0.01611   0.31249
   D88       -0.10424  -0.00001   0.00093   0.01473   0.01576  -0.08848
   D89       -0.43260   0.00001   0.00065   0.01491   0.01571  -0.41689
   D90        0.18539  -0.00002  -0.00049   0.01481   0.01462   0.20000
   D91       -0.04770  -0.00002  -0.00073   0.01390   0.01346  -0.03424
   D92        2.38827  -0.00002  -0.00023   0.00870   0.00851   2.39678
   D93        2.04552  -0.00002  -0.00048   0.00931   0.00888   2.05440
   D94        1.64632   0.00000  -0.00032   0.00722   0.00686   1.65318
   D95        1.36443   0.00000  -0.00046   0.00800   0.00757   1.37200
   D96        2.05861   0.00002  -0.00085   0.00908   0.00829   2.06690
   D97       -1.87313  -0.00006  -0.00062   0.00975   0.00985  -1.86328
   D98       -2.41834   0.00002  -0.00091  -0.00844  -0.00960  -2.42794
   D99       -2.63861   0.00000  -0.00070  -0.00539  -0.00627  -2.64488
   D100      -2.96986   0.00000  -0.00086  -0.00602  -0.00677  -2.97663
   D101      -2.89236   0.00000  -0.00218  -0.03886  -0.04236  -2.93472
   D102       2.84936   0.00003  -0.00226  -0.04677  -0.04966   2.79970
   D103      -2.83474   0.00002  -0.00228   0.00797   0.00579  -2.82896
   D104       1.26307   0.00001  -0.00232   0.00231   0.00008   1.26315
   D105       2.85470   0.00000  -0.00166  -0.00155  -0.00315   2.85155
   D106       0.66933   0.00000  -0.00170  -0.00721  -0.00885   0.66047
   D107       2.30808   0.00003  -0.00025  -0.03374  -0.03422   2.27386
   D108       0.12271   0.00003  -0.00028  -0.03941  -0.03993   0.08279
   D109       1.69562  -0.00002   0.00126  -0.03789  -0.03624   1.65938
   D110      -0.48975  -0.00002   0.00122  -0.04356  -0.04195  -0.53170
   D111       2.61671   0.00000  -0.00104   0.00413   0.00335   2.62006
   D112       0.43134   0.00000  -0.00108  -0.00154  -0.00236   0.42898
   D113       2.27274   0.00000  -0.00091   0.00560   0.00502   2.27776
   D114       0.08737   0.00000  -0.00094  -0.00007  -0.00068   0.08668
   D115      -1.60971  -0.00002  -0.00006   0.00609   0.00603  -1.60368
   D116       2.48811  -0.00002  -0.00009   0.00042   0.00032   2.48843
   D117      -1.77007   0.00000  -0.00022   0.00309   0.00289  -1.76718
   D118       2.32774  -0.00001  -0.00025  -0.00258  -0.00282   2.32493
   D119      -2.73473   0.00003  -0.00010   0.00433   0.00414  -2.73059
   D120       1.36309   0.00002  -0.00013  -0.00133  -0.00157   1.36152
   D121      -2.69122   0.00001  -0.00013   0.00583   0.00559  -2.68563
   D122       1.40660   0.00001  -0.00016   0.00016  -0.00012   1.40648
   D123       1.34639   0.00000  -0.00080   0.00845   0.00775   1.35414
   D124      -0.83898  -0.00001  -0.00084   0.00278   0.00204  -0.83693
   D125       1.32558  -0.00001  -0.00083   0.01045   0.00972   1.33530
   D126      -0.85979  -0.00001  -0.00087   0.00479   0.00401  -0.85578
   D127       1.68772  -0.00001  -0.00085   0.01298   0.01228   1.70001
   D128      -0.49765  -0.00001  -0.00088   0.00732   0.00658  -0.49107
   D129       1.80908   0.00001  -0.00074   0.01335   0.01279   1.82187
   D130      -0.37628   0.00001  -0.00077   0.00768   0.00708  -0.36920
   D131       0.93153  -0.00002  -0.00100   0.01165   0.01072   0.94225
   D132      -1.25384  -0.00002  -0.00104   0.00599   0.00502  -1.24882
   D133      -0.94046   0.00004  -0.00033   0.02672   0.02583  -0.91463
   D134      -3.12583   0.00004  -0.00037   0.02106   0.02013  -3.10571
   D135      -0.52186  -0.00002  -0.00045   0.02299   0.02221  -0.49965
   D136      -2.70723  -0.00002  -0.00049   0.01733   0.01650  -2.69073
   D137      -0.25331  -0.00001  -0.00032   0.01994   0.01945  -0.23386
   D138      -2.43868  -0.00001  -0.00036   0.01428   0.01375  -2.42493
   D139       0.14436  -0.00002  -0.00029   0.01359   0.01324   0.15761
   D140      -2.04100  -0.00002  -0.00033   0.00792   0.00754  -2.03347
   D141      -0.29625   0.00000  -0.00038   0.02046   0.01992  -0.27633
   D142      -2.48162   0.00000  -0.00041   0.01480   0.01421  -2.46741
   D143      -0.03923   0.00001  -0.00045   0.01762   0.01717  -0.02206
   D144      -2.22460   0.00001  -0.00048   0.01195   0.01146  -2.21314
   D145      -2.41735  -0.00001  -0.00151   0.01120   0.00972  -2.40763
   D146      -2.64643  -0.00001  -0.00207   0.00874   0.00666  -2.63977
   D147      -2.28461  -0.00003  -0.00311   0.02425   0.02140  -2.26321
   D148       3.07033   0.00001  -0.00191   0.00431   0.00257   3.07290
   D149       2.68576  -0.00001  -0.00199  -0.00157  -0.00327   2.68248
   D150       1.51313  -0.00002   0.00034   0.00207   0.00233   1.51546
   D151       2.61527   0.00002   0.00038   0.00520   0.00542   2.62069
   D152       2.99482   0.00003   0.00032   0.00552   0.00576   3.00058
   D153       1.20390   0.00001  -0.00060   0.00764   0.00716   1.21106
   D154       1.27065   0.00000  -0.00043   0.00791   0.00753   1.27818
   D155       1.66810  -0.00001  -0.00052   0.00851   0.00802   1.67612
   D156       1.73517   0.00001  -0.00030   0.00719   0.00692   1.74209
   D157       0.92161  -0.00002  -0.00035   0.00958   0.00927   0.93088
   D158      -0.95456   0.00004  -0.00019   0.03522   0.03497  -0.91959
   D159      -0.63000  -0.00001  -0.00026   0.03636   0.03603  -0.59398
   D160      -0.68040   0.00001  -0.00013   0.03683   0.03661  -0.64380
   D161      -0.38508   0.00000   0.00025   0.03225   0.03226  -0.35282
   D162      -0.24540   0.00000  -0.00022   0.03588   0.03560  -0.20980
   D163       0.03092   0.00000  -0.00020   0.03577   0.03554   0.06646
   D164      -1.23988   0.00001  -0.00110  -0.00804  -0.00898  -1.24885
   D165       1.70598   0.00000  -0.00147   0.00092  -0.00038   1.70559
   D166      -1.61048   0.00000  -0.00107  -0.01072  -0.01162  -1.62210
   D167       1.33537   0.00000  -0.00144  -0.00176  -0.00302   1.33234
   D168      -1.68598   0.00002  -0.00118  -0.01633  -0.01752  -1.70350
   D169       1.25987   0.00002  -0.00156  -0.00737  -0.00892   1.25095
   D170      -1.95074   0.00001  -0.00098  -0.02276  -0.02397  -1.97471
   D171       0.99512   0.00000  -0.00135  -0.01380  -0.01538   0.97974
   D172      -1.96294   0.00001  -0.00100  -0.00919  -0.00983  -1.97278
   D173       0.98291   0.00001  -0.00137  -0.00023  -0.00124   0.98167
   D174      -2.26716   0.00000  -0.00096  -0.01182  -0.01242  -2.27958
   D175       0.67869   0.00000  -0.00133  -0.00286  -0.00382   0.67487
   D176       1.97157   0.00001   0.00047  -0.01134  -0.01082   1.96075
   D177      -1.36576   0.00001   0.00010  -0.00237  -0.00223  -1.36799
   D178       0.82645   0.00002   0.00063  -0.00730  -0.00660   0.81985
   D179      -2.51088   0.00002   0.00025   0.00166   0.00199  -2.50889
   D180       0.36311   0.00002   0.00056  -0.00962  -0.00896   0.35415
   D181      -2.97422   0.00002   0.00018  -0.00065  -0.00037  -2.97459
   D182      -3.08673  -0.00001  -0.00065  -0.00941  -0.00995  -3.09668
   D183      -0.14088  -0.00001  -0.00102  -0.00045  -0.00135  -0.14223
   D184       2.93495  -0.00002  -0.00051  -0.00752  -0.00792   2.92703
   D185      -0.40239  -0.00002  -0.00088   0.00145   0.00068  -0.40171
   D186       3.09333  -0.00001  -0.00044  -0.00700  -0.00738   3.08595
   D187      -0.24400  -0.00001  -0.00082   0.00196   0.00122  -0.24278
   D188       2.99214   0.00002  -0.00028  -0.00893  -0.00913   2.98301
   D189      -0.34520   0.00002  -0.00065   0.00004  -0.00053  -0.34573
   D190       2.49058  -0.00002  -0.00052  -0.00623  -0.00663   2.48395
   D191      -0.84675  -0.00003  -0.00089   0.00274   0.00196  -0.84479
   D192       0.38933   0.00003  -0.00008   0.02805   0.02798   0.41730
   D193      -2.94800   0.00003  -0.00045   0.03701   0.03657  -2.91143
   D194       0.69581  -0.00001  -0.00019   0.03375   0.03323   0.72905
   D195      -2.64152  -0.00001  -0.00057   0.04271   0.04183  -2.59969
   D196       0.52302   0.00002  -0.00042   0.05979   0.05875   0.58177
   D197      -2.81431   0.00001  -0.00079   0.06875   0.06735  -2.74697
   D198       1.14281   0.00000  -0.00001   0.02267   0.02234   1.16514
   D199      -2.19453  -0.00001  -0.00038   0.03163   0.03093  -2.16359
   D200       1.46555  -0.00001  -0.00001   0.01573   0.01544   1.48099
   D201      -1.87179  -0.00001  -0.00038   0.02470   0.02404  -1.84775
   D202       1.59604   0.00001   0.00133   0.00025   0.00158   1.59761
   D203      -0.61726   0.00001   0.00117   0.00132   0.00250  -0.61477
   D204       1.66050   0.00000   0.00140   0.00051   0.00191   1.66241
   D205      -0.55280   0.00000   0.00124   0.00159   0.00283  -0.54997
   D206       1.33151   0.00001   0.00169  -0.00732  -0.00563   1.32588
   D207      -0.88179   0.00001   0.00153  -0.00625  -0.00471  -0.88650
   D208       1.15920   0.00000   0.00179  -0.01624  -0.01459   1.14460
   D209      -1.05410   0.00000   0.00163  -0.01517  -0.01367  -1.06777
   D210       2.08928  -0.00002   0.00143   0.00343   0.00477   2.09405
   D211      -0.12401  -0.00002   0.00128   0.00450   0.00569  -0.11832
   D212       2.20188   0.00001   0.00133   0.00941   0.01067   2.21255
   D213      -0.01141   0.00001   0.00117   0.01048   0.01159   0.00017
   D214      -2.19874   0.00001   0.00007   0.00937   0.00949  -2.18926
   D215       1.87115   0.00001  -0.00009   0.01044   0.01041   1.88155
   D216      -2.37505   0.00001   0.00050   0.00733   0.00787  -2.36717
   D217       1.69484   0.00001   0.00034   0.00841   0.00879   1.70364
   D218      -1.99147  -0.00001   0.00061   0.00534   0.00587  -1.98560
   D219       2.07841  -0.00001   0.00045   0.00641   0.00679   2.08521
   D220      -2.13074   0.00000   0.00148  -0.00607  -0.00456  -2.13530
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   D222      -2.87152   0.00002   0.00057   0.00747   0.00814  -2.86338
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   D224       3.07331   0.00000   0.00073   0.00818   0.00892   3.08223
   D225       0.86002   0.00000   0.00057   0.00925   0.00984   0.86986
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   D228      -2.64341  -0.00002   0.00016   0.00620   0.00646  -2.63695
   D229       1.42648  -0.00001   0.00000   0.00727   0.00738   1.43386
   D230      -1.56229   0.00003   0.00035   0.00317   0.00354  -1.55875
   D231       2.50760   0.00004   0.00019   0.00424   0.00446   2.51206
   D232      -0.10680  -0.00003   0.00006  -0.03732  -0.03747  -0.14428
   D233      -2.32010  -0.00002  -0.00010  -0.03624  -0.03655  -2.35665
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   D237      -2.16198  -0.00001   0.00036  -0.02579  -0.02548  -2.18746
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   D249      -0.62554   0.00001   0.00111  -0.01587  -0.01478  -0.64032
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   D251      -0.86387   0.00000   0.00104  -0.02038  -0.01942  -0.88330
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   D253      -0.01318  -0.00002   0.00098  -0.00546  -0.00460  -0.01778
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   D258      -0.88544   0.00000  -0.00011   0.00870   0.00853  -0.87691
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   D261       2.16549   0.00000   0.00061  -0.00043   0.00006   2.16555
   D262      -0.95089   0.00002   0.00044   0.00327   0.00364  -0.94725
   D263       1.95008   0.00002   0.00086  -0.00461  -0.00383   1.94626
   D264      -1.29412   0.00001  -0.00015   0.00726   0.00703  -1.28708
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   D266      -1.53728   0.00000   0.00000   0.00672   0.00655  -1.53073
   D267       1.36370   0.00000   0.00042  -0.00116  -0.00092   1.36278
   D268       1.98189   0.00001  -0.00042   0.00444   0.00398   1.98587
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   D270       0.86515   0.00001  -0.00033   0.00620   0.00585   0.87101
   D271      -2.51706   0.00001   0.00009  -0.00168  -0.00161  -2.51867
   D272       0.85387   0.00001  -0.00010  -0.05288  -0.05190   0.80197
   D273      -2.52834   0.00001   0.00032  -0.06076  -0.05937  -2.58771
   D274       1.07154  -0.00002  -0.00017  -0.03449  -0.03449   1.03705
   D275      -2.31068  -0.00002   0.00025  -0.04237  -0.04195  -2.35263
   D276       1.54814  -0.00002  -0.00010  -0.02925  -0.02948   1.51866
   D277      -1.83407  -0.00002   0.00032  -0.03714  -0.03695  -1.87102
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   D279      -1.83956  -0.00001   0.00010  -0.02311  -0.02307  -1.86263
   D280       0.77728   0.00000  -0.00001  -0.02058  -0.02060   0.75668
   D281      -2.60494   0.00000   0.00040  -0.02846  -0.02806  -2.63300
   D282       0.76154   0.00001   0.00002  -0.02194  -0.02195   0.73959
   D283      -2.62067   0.00001   0.00043  -0.02983  -0.02942  -2.65009
   D284       1.55009  -0.00001   0.00155  -0.01191  -0.01033   1.53976
   D285      -2.67086  -0.00001   0.00154  -0.01739  -0.01583  -2.68669
   D286       1.61332  -0.00002   0.00121  -0.01057  -0.00931   1.60401
   D287      -2.60763  -0.00002   0.00120  -0.01605  -0.01482  -2.62245
   D288       1.29867   0.00000   0.00127  -0.01543  -0.01411   1.28456
   D289      -2.92228   0.00000   0.00126  -0.02092  -0.01962  -2.94190
   D290       1.20871   0.00000   0.00113  -0.01969  -0.01859   1.19012
   D291      -3.01224   0.00000   0.00113  -0.02517  -0.02410  -3.03634
   D292       2.01159  -0.00003   0.00109  -0.00802  -0.00691   2.00468
   D293      -2.20936  -0.00003   0.00108  -0.01351  -0.01242  -2.22178
   D294       1.99533   0.00000   0.00080  -0.00334  -0.00247   1.99286
   D295      -2.22562   0.00000   0.00079  -0.00883  -0.00798  -2.23360
   D296      -2.26987   0.00000  -0.00044  -0.00330  -0.00369  -2.27356
   D297      -0.20763   0.00000  -0.00045  -0.00879  -0.00920  -0.21683
   D298      -2.25788   0.00001  -0.00008  -0.00683  -0.00688  -2.26476
   D299      -0.19564   0.00001  -0.00009  -0.01231  -0.01239  -0.20803
   D300      -1.87423  -0.00001  -0.00004  -0.00742  -0.00747  -1.88170
   D301       0.18801  -0.00001  -0.00005  -0.01290  -0.01298   0.17503
   D302      -1.82112   0.00000   0.00001  -0.01280  -0.01281  -1.83393
   D303       0.24112   0.00000   0.00000  -0.01828  -0.01832   0.22280
   D304      -2.61236   0.00003   0.00016  -0.00819  -0.00802  -2.62038
   D305      -0.55012   0.00003   0.00015  -0.01367  -0.01353  -0.56366
   D306      -2.74162   0.00002   0.00046  -0.00835  -0.00796  -2.74958
   D307      -0.67938   0.00002   0.00046  -0.01383  -0.01347  -0.69285
   D308       1.52462   0.00002   0.00006  -0.00738  -0.00726   1.51736
   D309      -2.69633   0.00002   0.00005  -0.01286  -0.01277  -2.70910
   D310       2.62818   0.00000   0.00005  -0.00534  -0.00506   2.62312
   D311      -1.59277   0.00000   0.00004  -0.01083  -0.01057  -1.60333
   D312       3.02042  -0.00003  -0.00010  -0.00353  -0.00346   3.01696
   D313      -1.20053  -0.00003  -0.00011  -0.00901  -0.00897  -1.20950
   D314      -0.51914   0.00001   0.00016  -0.03554  -0.03552  -0.55467
   D315       1.54309   0.00001   0.00015  -0.04102  -0.04103   1.50206
   D316      -0.35550  -0.00002   0.00020  -0.03409  -0.03396  -0.38946
   D317       1.70673  -0.00002   0.00019  -0.03957  -0.03947   1.66726
   D318       0.07270  -0.00001   0.00025  -0.03116  -0.03090   0.04180
   D319       2.13494  -0.00001   0.00024  -0.03664  -0.03641   2.09853
   D320       0.20759  -0.00001   0.00011  -0.02219  -0.02209   0.18550
   D321       2.26983  -0.00001   0.00010  -0.02768  -0.02760   2.24223
   D322      -0.59964   0.00000   0.00033  -0.03290  -0.03271  -0.63235
   D323       1.46260   0.00000   0.00032  -0.03838  -0.03822   1.42437
   D324      -0.63939   0.00001   0.00043  -0.04131  -0.04114  -0.68054
   D325       1.42284   0.00001   0.00042  -0.04679  -0.04665   1.37619
   D326       0.09790  -0.00001  -0.00066   0.01156   0.01084   0.10874
   D327       2.26735  -0.00001  -0.00056   0.00954   0.00883   2.27618
   D328       0.39847   0.00003  -0.00061   0.01292   0.01231   0.41078
   D329       2.56792   0.00002  -0.00050   0.01090   0.01030   2.57822
   D330       0.77298   0.00000  -0.00073   0.02186   0.02132   0.79430
   D331       2.94243  -0.00001  -0.00062   0.01985   0.01931   2.96174
   D332       1.05401   0.00002  -0.00067   0.02621   0.02575   1.07976
   D333      -3.05973   0.00001  -0.00056   0.02420   0.02374  -3.03599
   D334       0.32253   0.00005  -0.00058   0.00860   0.00762   0.33016
   D335       2.49198   0.00004  -0.00047   0.00659   0.00561   2.49759
   D336       0.71134   0.00005   0.00015   0.02256   0.02313   0.73448
   D337       2.88079   0.00004   0.00026   0.02055   0.02112   2.90191
   D338      -2.32408   0.00000  -0.00053  -0.00374  -0.00378  -2.32786
   D339      -0.15463  -0.00001  -0.00042  -0.00575  -0.00579  -0.16043
   D340      -1.94861   0.00001  -0.00064  -0.00143  -0.00173  -1.95035
   D341       0.22083   0.00000  -0.00053  -0.00345  -0.00374   0.21709
   D342      -1.88489   0.00002  -0.00085   0.01117   0.01063  -1.87426
   D343       0.28455   0.00001  -0.00075   0.00915   0.00862   0.29317
   D344      -1.57340   0.00000  -0.00097   0.01965   0.01884  -1.55457
   D345       0.59605  -0.00001  -0.00086   0.01763   0.01682   0.61287
   D346      -1.59334  -0.00001  -0.00048  -0.00904  -0.00935  -1.60269
   D347       0.57611  -0.00002  -0.00037  -0.01106  -0.01136   0.56474
   D348      -1.29192   0.00001  -0.00051  -0.00673  -0.00720  -1.29912
   D349       0.87753   0.00000  -0.00040  -0.00874  -0.00922   0.86831
   D350       1.88064   0.00003   0.00002   0.02994   0.03029   1.91093
   D351      -2.23309   0.00002   0.00013   0.02793   0.02827  -2.20482
   D352       2.33276   0.00003  -0.00011   0.03385   0.03369   2.36645
   D353      -1.78098   0.00002   0.00000   0.03184   0.03168  -1.74930
   D354       2.64205  -0.00001  -0.00037   0.05849   0.05702   2.69907
   D355      -1.47169  -0.00002  -0.00026   0.05647   0.05500  -1.41668
   D356      -3.01423  -0.00006  -0.00081   0.02489   0.02396  -2.99028
   D357      -0.84479  -0.00007  -0.00071   0.02288   0.02195  -0.82284
   D358       2.63416   0.00000  -0.00021   0.01726   0.01704   2.65120
   D359      -1.47958  -0.00001  -0.00010   0.01524   0.01503  -1.46455
   D360       1.64389  -0.00001  -0.00072   0.01495   0.01439   1.65828
   D361      -2.46985  -0.00002  -0.00061   0.01293   0.01238  -2.45747
   D362       1.81941   0.00000  -0.00028   0.01137   0.01119   1.83060
   D363      -2.29433  -0.00001  -0.00018   0.00936   0.00918  -2.28515
   D364       2.75283   0.00002  -0.00048   0.01288   0.01241   2.76523
   D365      -1.36091   0.00001  -0.00037   0.01086   0.01040  -1.35052
   D366       2.75263   0.00000  -0.00050   0.02189   0.02146   2.77408
   D367      -1.36111  -0.00001  -0.00039   0.01987   0.01944  -1.34166
   D368       0.06379   0.00000   0.00026   0.03455   0.03461   0.09840
   D369      -2.38359   0.00000   0.00668  -0.01299  -0.00644  -2.39003
   D370       0.46359   0.00001   0.00022   0.03584   0.03596   0.49955
   D371      -1.98379   0.00001   0.00665  -0.01170  -0.00509  -1.98888
   D372       0.68245   0.00000   0.00010   0.03708   0.03695   0.71940
   D373      -1.76493  -0.00001   0.00652  -0.01045  -0.00410  -1.76903
   D374       0.95365   0.00002  -0.00004   0.03489   0.03454   0.98820
   D375      -1.49373   0.00001   0.00638  -0.01264  -0.00651  -1.50023
   D376       0.70075   0.00000   0.00030   0.03947   0.03979   0.74054
   D377      -1.74663   0.00000   0.00672  -0.00806  -0.00126  -1.74789
   D378       1.04379   0.00001   0.00041   0.04315   0.04373   1.08752
   D379      -1.40359   0.00001   0.00683  -0.00439   0.00268  -1.40091
   D380      -2.69956   0.00002  -0.00067   0.02227   0.02176  -2.67780
   D381       1.13624   0.00002   0.00575  -0.02527  -0.01929   1.11695
   D382      -2.17754   0.00002  -0.00058   0.00564   0.00555  -2.17199
   D383       1.65827   0.00001   0.00584  -0.04190  -0.03550   1.62277
   D384      -1.93726   0.00000  -0.00079   0.01772   0.01706  -1.92020
   D385       1.89854   0.00000   0.00564  -0.02981  -0.02399   1.87455
   D386      -1.60998  -0.00001  -0.00079   0.02085   0.01990  -1.59007
   D387       2.22583  -0.00002   0.00563  -0.02668  -0.02115   2.20468
   D388      -1.72649   0.00000  -0.00007  -0.02921  -0.02865  -1.75514
   D389       2.10931  -0.00001   0.00635  -0.07675  -0.06970   2.03961
   D390      -1.16723  -0.00001  -0.00022  -0.01927  -0.02041  -1.18764
   D391       2.66858  -0.00001   0.00620  -0.06680  -0.06146   2.60712
   D392       1.80376   0.00001   0.00014   0.02815   0.02825   1.83201
   D393      -0.64362   0.00001   0.00656  -0.01939  -0.01280  -0.65643
   D394       2.11233   0.00002   0.00006   0.03443   0.03435   2.14668
   D395      -0.33505   0.00002   0.00648  -0.01310  -0.00670  -0.34175
   D396       2.07830   0.00002  -0.00005   0.04888   0.04881   2.12711
   D397      -0.36908   0.00002   0.00637   0.00134   0.00776  -0.36132
   D398       2.31143  -0.00001  -0.00028   0.05988   0.05919   2.37062
   D399      -0.13595  -0.00001   0.00614   0.01235   0.01814  -0.11781
   D400       2.50443   0.00001   0.00009   0.02967   0.02955   2.53398
   D401       0.05706   0.00001   0.00651  -0.01786  -0.01150   0.04555
   D402      -1.53731  -0.00002  -0.00053   0.01597   0.01530  -1.52201
   D403       2.29850  -0.00003   0.00589  -0.03156  -0.02576   2.27274
   D404      -2.63317   0.00000  -0.00058   0.02148   0.02102  -2.61215
   D405       1.20263   0.00000   0.00584  -0.02606  -0.02003   1.18260
   D406      -2.98403  -0.00001  -0.00049   0.02758   0.02717  -2.95686
   D407       0.85178  -0.00001   0.00593  -0.01996  -0.01389   0.83789
   D408       1.91832  -0.00001   0.00036  -0.00071  -0.00059   1.91773
   D409       2.41633   0.00002   0.00077   0.01249   0.01342   2.42975
   D410       2.65305   0.00000   0.00057   0.01298   0.01343   2.66648
   D411       2.88563   0.00001   0.00049   0.00974   0.00990   2.89553
   D412       2.84481  -0.00001   0.00181   0.04101   0.04411   2.88892
   D413      -2.93081   0.00001   0.00151   0.04336   0.04520  -2.88561
   D414      -0.71735   0.00001  -0.00030  -0.00604  -0.00627  -0.72362
   D415      -0.34030   0.00002  -0.00034  -0.00928  -0.00949  -0.34979
   D416      -0.01715   0.00000  -0.00055  -0.00077  -0.00125  -0.01840
   D417       0.28911  -0.00002  -0.00057  -0.00308  -0.00382   0.28528
   D418      -0.22398   0.00002  -0.00011  -0.02106  -0.02094  -0.24493
   D419       0.07440   0.00002  -0.00004  -0.02964  -0.02943   0.04497
   D420      -2.53387   0.00001   0.00025   0.00089   0.00102  -2.53285
   D421      -2.15208   0.00002   0.00025  -0.00076  -0.00075  -2.15282
   D422      -1.89221   0.00000   0.00010   0.00867   0.00857  -1.88364
   D423      -1.57283  -0.00001  -0.00003   0.00681   0.00654  -1.56629
   D424      -1.95281   0.00000   0.00030  -0.01017  -0.01018  -1.96299
   D425       1.30592   0.00002   0.00008  -0.01278  -0.01307   1.29285
   D426       2.47545   0.00000  -0.00025  -0.00514  -0.00536   2.47009
   D427       2.95269   0.00000  -0.00002  -0.00582  -0.00602   2.94667
   D428      -3.06089   0.00008  -0.00051   0.02256   0.02199  -3.03889
   D429       0.02344   0.00008   0.00065   0.01026   0.01090   0.03435
   D430       0.05266  -0.00001  -0.00076   0.02280   0.02201   0.07467
   D431       3.13698  -0.00001   0.00041   0.01050   0.01093  -3.13528
   D432      -0.10585  -0.00003   0.00068  -0.01938  -0.01863  -0.12448
   D433       1.99199   0.00002   0.00101  -0.02241  -0.02135   1.97064
   D434      -2.20293   0.00000   0.00074  -0.01800  -0.01719  -2.22012
   D435       3.09015  -0.00003  -0.00043  -0.00761  -0.00798   3.08217
   D436      -1.09520   0.00002  -0.00010  -0.01064  -0.01069  -1.10589
   D437       0.99307   0.00000  -0.00037  -0.00622  -0.00654   0.98653
   D438      -2.37116   0.00002  -0.00125  -0.00630  -0.00748  -2.37865
   D439      -0.28184   0.00005  -0.00125  -0.00674  -0.00798  -0.28982
   D440       1.82594   0.00002  -0.00129  -0.00688  -0.00816   1.81778
   D441       0.71591   0.00002  -0.00013  -0.01809  -0.01814   0.69777
   D442       2.80523   0.00005  -0.00014  -0.01853  -0.01864   2.78659
   D443      -1.37018   0.00002  -0.00018  -0.01868  -0.01882  -1.38900
   D444       0.00479   0.00000  -0.00041  -0.00281  -0.00320   0.00159
   D445       3.11050   0.00002   0.00058   0.00452   0.00512   3.11562
   D446      -3.11387  -0.00003  -0.00034  -0.00148  -0.00180  -3.11567
   D447      -0.00816  -0.00001   0.00065   0.00586   0.00652  -0.00164
   D448       2.41860   0.00003   0.00166   0.02472   0.02635   2.44495
   D449      -1.78126   0.00003   0.00180   0.02630   0.02808  -1.75318
   D450       0.32679  -0.00001   0.00162   0.02601   0.02760   0.35438
   D451      -0.68884   0.00001   0.00072   0.01765   0.01836  -0.67048
   D452       1.39449   0.00001   0.00085   0.01922   0.02009   1.41458
   D453      -2.78065  -0.00003   0.00068   0.01894   0.01961  -2.76104
   D454       2.04773   0.00000  -0.00079  -0.01927  -0.02009   2.02764
   D455      -2.15163   0.00000  -0.00072  -0.01603  -0.01682  -2.16845
   D456      -0.05816   0.00000  -0.00080  -0.01610  -0.01692  -0.07508
   D457      -1.12801   0.00002   0.00015  -0.01241  -0.01226  -1.14027
   D458       0.95581   0.00002   0.00023  -0.00917  -0.00898   0.94683
   D459       3.04928   0.00002   0.00014  -0.00923  -0.00908   3.04020
   D460      -3.08073  -0.00002  -0.00008   0.01231   0.01223  -3.06850
   D461      -0.01833  -0.00003  -0.00060   0.00398   0.00339  -0.01495
   D462       0.07573  -0.00007  -0.00032   0.01407   0.01374   0.08947
   D463       3.13812  -0.00007  -0.00085   0.00574   0.00490  -3.14016
   D464       1.91430  -0.00001  -0.00032  -0.01183  -0.01211   1.90219
   D465      -2.28733   0.00003  -0.00006  -0.01129  -0.01120  -2.29853
   D466      -0.19334  -0.00003  -0.00042  -0.00997  -0.01033  -0.20368
   D467      -1.15137   0.00000   0.00021  -0.00404  -0.00384  -1.15521
   D468       0.93019   0.00003   0.00047  -0.00350  -0.00293   0.92725
   D469       3.02418  -0.00002   0.00011  -0.00219  -0.00207   3.02211
   D470      -1.64198   0.00002   0.00065  -0.00963  -0.00902  -1.65100
   D471       0.46386   0.00003   0.00051  -0.00980  -0.00927   0.45459
   D472       2.55360   0.00004   0.00057  -0.00824  -0.00762   2.54597
   D473       1.42404   0.00001   0.00015  -0.01736  -0.01720   1.40684
   D474      -2.75330   0.00003   0.00000  -0.01754  -0.01746  -2.77076
   D475      -0.66356   0.00003   0.00007  -0.01597  -0.01581  -0.67937
   D476       0.01226  -0.00002  -0.00103   0.02737   0.02620   0.03845
   D477      -3.03131  -0.00001  -0.00118   0.03584   0.03448  -2.99684
   D478       3.12481   0.00001  -0.00094   0.03632   0.03542  -3.12295
   D479       0.08124   0.00002  -0.00109   0.04480   0.04370   0.12495
   D480      -0.29604  -0.00002  -0.00229   0.05002   0.04797  -0.24807
   D481       1.80988   0.00006  -0.00188   0.04985   0.04799   1.85788
   D482      -2.38911   0.00002  -0.00201   0.04600   0.04407  -2.34504
   D483       2.75247  -0.00003  -0.00213   0.04195   0.04008   2.79255
   D484      -1.42479   0.00006  -0.00172   0.04177   0.04010  -1.38469
   D485       0.65939   0.00001  -0.00185   0.03792   0.03618   0.69557
   D486      -0.09080  -0.00005  -0.00006  -0.01904  -0.01905  -0.10985
   D487       2.00318   0.00002   0.00030  -0.01927  -0.01891   1.98427
   D488      -2.19515   0.00001   0.00023  -0.01987  -0.01964  -2.21479
   D489      -3.13938  -0.00005  -0.00021  -0.01121  -0.01145   3.13235
   D490      -1.04541   0.00002   0.00015  -0.01144  -0.01130  -1.05671
   D491       1.03944   0.00001   0.00009  -0.01204  -0.01204   1.02741
         Item               Value     Threshold  Converged?
 Maximum Force            0.000344     0.000450     YES
 RMS     Force            0.000028     0.000300     YES
 Maximum Displacement     0.124885     0.001800     NO 
 RMS     Displacement     0.018641     0.001200     NO 
 Predicted change in Energy=-2.626555D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:11:58 2016, MaxMem=  2952790016 cpu:        11.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.792870   -0.562421    1.617420
      2          6           0       -2.036757    1.137686   -1.412386
      3          8           0       -2.574280    0.164760   -1.968914
      4          7           0       -0.749548    1.181537   -0.968428
      5          1           0       -2.591158    2.073599   -1.200169
      6          6           0       -0.238744    2.327393   -0.209654
      7          1           0       -0.996314    3.123367   -0.197542
      8          1           0       -0.011137    2.028521    0.827983
      9          1           0        0.682659    2.705817   -0.680380
     10          6           0        0.167580    0.052351   -1.151367
     11          1           0        0.728518   -0.110574   -0.218573
     12          1           0       -0.409427   -0.849669   -1.393295
     13          1           0        0.882046    0.264328   -1.963634
     14          6           0       -2.079002   -3.924752    2.716904
     15          8           0       -2.245891   -3.720367    3.931283
     16          7           0       -2.976074   -3.624171    1.732606
     17          1           0       -1.143513   -4.362436    2.315231
     18          6           0       -4.266013   -3.006769    2.039806
     19          1           0       -4.491041   -2.250807    1.273285
     20          1           0       -5.069718   -3.762089    2.038481
     21          1           0       -4.212796   -2.528310    3.026013
     22          6           0       -2.685255   -3.870267    0.317300
     23          1           0       -3.384540   -4.618683   -0.090355
     24          1           0       -2.798575   -2.934100   -0.253565
     25          1           0       -1.654474   -4.236830    0.211834
     26          6           0        1.605315    0.373943    2.555791
     27          8           0        1.483021    1.403109    3.241033
     28          7           0        1.194360   -0.872562    2.917861
     29          1           0        2.063017    0.391360    1.546997
     30          6           0        1.460808   -2.045282    2.083271
     31          1           0        2.218858   -2.690875    2.558039
     32          1           0        0.538442   -2.630478    1.958430
     33          1           0        1.821050   -1.719502    1.097671
     34          6           0        0.559758   -1.117845    4.214442
     35          1           0        1.304825   -1.446599    4.959239
     36          1           0        0.078015   -0.196226    4.563689
     37          1           0       -0.195331   -1.908719    4.098016
     38          6           0       -4.613975    0.977009    2.909742
     39          8           0       -4.849254    1.520844    1.817046
     40          7           0       -3.555081    1.259858    3.718374
     41          1           0       -5.259893    0.175357    3.319679
     42          6           0       -2.580523    2.305652    3.383533
     43          1           0       -2.700421    2.595246    2.331719
     44          1           0       -2.733338    3.184533    4.031192
     45          1           0       -1.562611    1.915320    3.549552
     46          6           0       -3.255298    0.449504    4.900417
     47          1           0       -4.053409   -0.288933    5.057363
     48          1           0       -2.296052   -0.076519    4.753503
     49          1           0       -3.171188    1.094820    5.789416
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.482753   0.000000
     3  O    3.741816   1.243077   0.000000
     4  N    3.288848   1.362325   2.316130   0.000000
     5  H    3.940136   1.108301   2.057893   2.059370   0.000000
     6  C    3.755600   2.468768   3.636854   1.466166   2.565030
     7  H    4.184928   2.549764   3.792241   2.103774   2.156571
     8  H    3.242031   3.148965   4.226813   2.118898   3.282063
     9  H    4.699948   3.223367   4.327233   2.111308   3.374575
    10  C    3.447824   2.470867   2.863357   1.466169   3.420301
    11  H    3.151576   3.260381   3.748063   2.101549   4.093212
    12  H    3.325783   2.568686   2.459064   2.102853   3.652773
    13  H    4.545617   3.096134   3.457765   2.119860   3.989924
    14  C    3.549085   6.533077   6.239094   6.436094   7.182338
    15  O    3.941042   7.224902   7.072085   7.090478   7.747325
    16  N    3.284441   5.783474   5.312126   5.945404   6.419806
    17  H    3.917743   6.704055   6.395037   6.455483   7.475042
    18  C    3.502811   5.836413   5.384273   6.241547   6.254016
    19  H    3.201438   4.971743   4.474460   5.550229   5.331793
    20  H    4.599228   6.716780   6.140567   7.221136   7.119506
    21  H    3.421242   6.154190   5.906493   6.458531   6.455067
    22  C    3.664492   5.337785   4.639022   5.560645   6.135235
    23  H    4.680082   6.058058   5.202579   6.430921   6.829918
    24  H    3.183848   4.301473   3.549037   4.652742   5.100601
    25  H    3.936510   5.627580   4.997569   5.618773   6.533961
    26  C    3.647599   5.440076   6.163257   4.314825   5.882725
    27  O    4.151011   5.840684   6.718538   4.770012   6.064054
    28  N    3.272748   5.764743   6.257736   4.806386   6.322040
    29  H    3.972722   5.111076   5.823874   3.855161   5.660229
    30  C    3.605872   5.880805   6.130777   4.960937   6.645644
    31  H    4.637784   6.966521   7.184854   6.020214   7.743422
    32  H    3.134989   5.673897   5.738155   4.975628   6.472981
    33  H    3.830064   5.417249   5.680961   4.392353   6.255819
    34  C    3.547940   6.594733   7.049905   5.819243   7.030761
    35  H    4.641684   7.644756   8.102051   6.801822   8.093749
    36  H    3.509246   6.478044   7.059737   5.760851   6.745268
    37  H    3.243147   6.560180   6.838593   5.960344   7.047667
    38  C    3.463896   5.034745   5.349896   5.478670   4.710166
    39  O    3.704231   4.299556   4.620386   4.968057   3.808953
    40  N    3.292430   5.352096   5.874220   5.462899   5.077734
    41  H    3.932207   5.805783   5.931429   6.304243   5.581621
    42  C    3.459103   4.965951   5.764733   4.853419   4.589584
    43  H    3.362252   4.072255   4.941521   4.086007   3.571874
    44  H    4.555265   5.857248   6.719048   5.739653   5.349909
    45  H    3.150453   5.044835   5.877194   4.648834   4.862387
    46  C    3.733732   6.466059   6.908876   6.423239   6.347906
    47  H    4.125292   6.925300   7.194597   7.027655   6.846637
    48  H    3.213147   6.289652   6.732498   6.059281   6.336900
    49  H    4.695930   7.290729   7.836645   7.179159   7.081577
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098924   0.000000
     8  H    1.103549   1.794704   0.000000
     9  H    1.101713   1.796227   1.793109   0.000000
    10  C    2.495544   3.419879   2.802680   2.743724   0.000000
    11  H    2.622853   3.665223   2.493611   2.854369   1.100591
    12  H    3.394681   4.190379   3.657416   3.787134   1.097773
    13  H    2.930675   3.849860   3.421005   2.765387   1.102349
    14  C    7.144271   7.703388   6.579176   7.945612   5.985649
    15  O    7.599434   8.089829   6.904658   8.434434   6.774332
    16  N    6.832749   7.292063   6.446869   7.699193   5.631756
    17  H    7.207459   7.897654   6.658717   7.891057   5.764253
    18  C    7.052109   7.298988   6.702733   8.032584   6.260874
    19  H    6.421920   6.577097   6.211320   7.426447   5.734652
    20  H    8.091614   8.306740   7.783683   9.072809   7.221799
    21  H    7.059779   7.257997   6.576472   8.068390   6.580123
    22  C    6.683867   7.213078   6.496723   7.455407   5.067798
    23  H    7.626154   8.102743   7.510560   8.398722   5.963377
    24  H    5.851322   6.320141   5.793718   6.641523   4.303837
    25  H    6.728371   7.400897   6.506522   7.379606   4.855438
    26  C    3.855414   4.680668   2.887190   4.094110   3.989177
    27  O    3.965604   4.574952   2.906278   4.208931   4.779970
    28  N    4.698389   5.520167   3.773208   5.100390   4.297484
    29  H    3.483124   4.457217   2.738501   3.496184   3.314933
    30  C    5.221711   6.160721   4.509794   5.551236   4.066373
    31  H    6.235619   7.192772   5.498970   6.478545   5.049032
    32  H    5.466726   6.333279   4.825579   5.954843   4.123827
    33  H    4.725380   5.750522   4.180589   4.903147   3.306297
    34  C    5.663912   6.314653   4.657644   6.212469   5.505913
    35  H    6.583546   7.264448   5.556571   7.030999   6.393722
    36  H    5.408677   5.902813   4.348901   6.023927   5.721161
    37  H    6.041734   6.664479   5.121416   6.700588   5.615472
    38  C    5.540470   5.229678   5.159992   6.628128   6.341204
    39  O    5.100474   4.633767   4.964208   6.184122   6.011370
    40  N    5.250440   5.035311   4.637321   6.276804   6.247452
    41  H    6.503798   6.264161   6.098542   7.597212   7.032983
    42  C    4.288985   4.000309   3.634471   5.227224   5.761489
    43  H    3.548264   3.095167   3.132834   4.531026   5.179154
    44  H    4.994243   4.572000   4.359735   5.839273   6.714522
    45  H    4.006752   3.977535   3.134777   4.853704   5.344423
    46  C    6.224057   6.183991   5.440827   7.193313   6.964045
    47  H    7.009871   6.971632   6.292711   8.020010   7.515421
    48  H    5.885936   6.036675   5.006170   6.792731   6.399499
    49  H    6.790236   6.684964   5.955967   7.701020   7.772296
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794756   0.000000
    13  H    1.791468   1.798382   0.000000
    14  C    5.571997   5.397902   6.944323   0.000000
    15  O    6.252921   6.321759   7.772504   1.242716   0.000000
    16  N    5.465937   4.904773   6.608154   1.365258   2.318751
    17  H    5.291786   5.160579   6.619555   1.108173   2.058911
    18  C    6.199481   5.595759   7.295897   2.466611   2.857937
    19  H    5.835241   5.072811   6.758226   3.271706   3.776938
    20  H    7.214388   6.479012   8.225111   3.071010   3.399771
    21  H    6.386656   6.067433   7.658513   2.568790   2.471686
    22  C    5.106496   4.150848   5.918037   2.475603   3.643678
    23  H    6.103829   4.975381   6.749572   3.172802   4.275169
    24  H    4.518175   3.369253   5.167325   3.212921   4.293790
    25  H    4.784339   3.949613   5.605981   2.559881   3.801423
    26  C    2.949683   4.599097   4.578246   5.663826   5.786807
    27  O    3.850894   5.489386   5.361580   6.430305   6.374263
    28  N    3.261113   4.599861   5.021857   4.480083   4.579557
    29  H    2.269375   4.037133   3.706124   6.095394   6.415435
    30  C    3.094807   4.124776   4.695391   4.057604   4.467737
    31  H    4.072916   5.090281   5.564693   4.474292   4.783266
    32  H    3.335474   3.912006   4.886773   3.016859   3.582250
    33  H    2.348356   3.454931   3.766815   4.763974   5.345355
    34  C    4.549143   5.697188   6.338997   4.133329   3.837312
    35  H    5.378367   6.606789   7.143680   4.756006   4.339849
    36  H    4.827061   6.012507   6.592762   4.686709   4.268494
    37  H    4.766526   5.596599   6.528895   3.085462   2.741288
    38  C    6.285811   6.287376   7.379970   5.521824   5.358797
    39  O    6.157663   5.969731   6.979984   6.175643   6.222362
    40  N    5.977195   6.361950   7.277664   5.482876   5.153828
    41  H    6.961469   6.840309   8.102144   5.224204   4.963360
    42  C    5.455554   6.122728   6.689438   6.286005   6.060108
    43  H    5.057972   5.567031   6.059481   6.560862   6.530863
    44  H    6.395520   7.148455   7.585284   7.259301   6.922804
    45  H    4.853070   5.779856   6.252787   5.921690   5.689776
    46  C    6.510648   7.028346   8.016676   5.028471   4.398402
    47  H    7.122790   7.429940   8.599954   4.753442   4.038553
    48  H    5.819856   6.476129   7.438845   4.359329   3.735798
    49  H    7.263375   7.937235   8.787958   5.985759   5.243554
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.059798   0.000000
    18  C    1.462702   3.415215   0.000000
    19  H    2.095764   4.092746   1.099850   0.000000
    20  H    2.120360   3.981469   1.102929   1.790074   0.000000
    21  H    2.098403   3.645508   1.097434   1.796242   1.797706
    22  C    1.465684   2.571173   2.492278   2.607186   2.942759
    23  H    2.116385   3.297682   2.812978   2.947999   2.847020
    24  H    2.110113   3.373142   2.723638   2.379622   3.331236
    25  H    2.105879   2.168210   3.416821   3.621751   3.902039
    26  C    6.136096   5.481533   6.794700   6.760155   7.869590
    27  O    6.887120   6.402914   7.344478   7.274102   8.429934
    28  N    5.135047   4.243587   5.928026   6.076840   6.954233
    29  H    6.446036   5.785378   7.200470   7.071891   8.268531
    30  C    4.722476   3.493637   5.807135   6.010227   6.752570
    31  H    5.342256   3.762793   6.513210   6.845948   7.385173
    32  H    3.659268   2.440483   4.819855   5.090115   5.721749
    33  H    5.200318   4.154056   6.292615   6.336847   7.248446
    34  C    4.994326   4.127409   5.620066   5.953536   6.589221
    35  H    5.786110   4.635433   6.480081   6.915567   7.384248
    36  H    5.393820   4.889274   5.756710   5.993691   6.752126
    37  H    4.033667   3.177750   4.691737   5.152597   5.606810
    38  C    5.023865   6.395875   4.092476   3.621036   4.840026
    39  O    5.476049   6.970917   4.570457   3.827446   5.292165
    40  N    5.303985   6.276516   4.639733   4.379412   5.507823
    41  H    4.708614   6.208468   3.570967   3.265752   4.145011
    42  C    6.168048   6.904322   5.733088   5.372574   6.694979
    43  H    6.254284   7.129767   5.823991   5.273598   6.790822
    44  H    7.190331   7.901190   6.681836   6.343382   7.595072
    45  H    5.998761   6.411662   5.815039   5.577967   6.842230
    46  C    5.167960   5.856414   4.598963   4.687732   5.405581
    47  H    4.830990   5.707907   4.066630   4.284824   4.712679
    48  H    4.708937   5.063853   4.453231   4.653754   5.352382
    49  H    6.226127   6.779607   5.664032   5.773273   6.423667
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.386940   0.000000
    23  H    3.842841   1.102410   0.000000
    24  H    3.594485   1.102332   1.791037   0.000000
    25  H    4.169372   1.099091   1.797291   1.795179   0.000000
    26  C    6.518788   6.436859   7.538372   6.183031   6.113885
    27  O    6.924206   7.330159   8.429311   7.025358   7.129435
    28  N    5.656018   5.549826   6.636951   5.500128   5.172692
    29  H    7.077980   6.497669   7.580061   6.159203   6.084616
    30  C    5.771643   4.862002   5.901224   4.938941   4.243836
    31  H    6.450706   5.519258   6.490647   5.756640   4.785119
    32  H    4.870774   3.823952   4.851831   4.015070   3.231075
    33  H    6.385920   5.053865   6.075757   4.964073   4.381885
    34  C    5.116547   5.770066   6.807689   5.877097   5.536404
    35  H    5.945721   6.583502   7.586215   6.798813   6.251455
    36  H    5.119973   6.258279   7.294350   6.243129   6.186004
    37  H    4.203940   4.933681   5.920930   5.173446   4.759371
    38  C    3.530117   5.825530   6.467137   5.347799   6.574304
    39  O    4.273444   5.999684   6.593736   5.323461   6.777473
    40  N    3.906682   6.216275   7.006622   5.825623   6.791297
    41  H    2.914184   5.657748   6.174796   5.338060   6.490389
    42  C    5.114619   6.895994   7.788502   6.382086   7.329483
    43  H    5.387035   6.772073   7.640369   6.104670   7.229467
    44  H    5.986297   7.972798   8.848808   7.470011   8.415942
    45  H    5.200329   6.721666   7.698152   6.285553   6.999840
    46  C    3.646583   6.323791   7.114143   6.182305   6.819617
    47  H    3.027638   6.096392   6.759669   6.064443   6.694769
    48  H    3.559411   5.850120   6.728969   5.786971   6.192461
    49  H    4.674229   7.404882   8.201302   7.272459   7.863609
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242456   0.000000
    28  N    1.361526   2.316559   0.000000
    29  H    1.107908   2.056645   2.057021   0.000000
    30  C    2.469171   3.637624   1.463833   2.566607   0.000000
    31  H    3.125627   4.215287   2.117860   3.247563   1.103102
    32  H    3.243702   4.336718   2.107369   3.409562   1.099454
    33  H    2.560307   3.802495   2.103127   2.171677   1.098779
    34  C    2.463685   2.855722   1.464242   3.413613   2.492773
    35  H    3.030054   3.332390   2.123427   3.949221   2.941758
    36  H    2.586386   2.506259   2.100573   3.658678   3.388745
    37  H    3.291099   3.810446   2.097052   4.110742   2.611636
    38  C    6.258477   6.120839   6.095715   6.839757   6.835223
    39  O    6.597166   6.491480   6.592834   7.009148   7.252931
    40  N    5.363407   5.062691   5.267374   6.085408   6.225484
    41  H    6.910431   6.854229   6.551105   7.537511   7.185246
    42  C    4.683791   4.165006   4.956575   5.347882   6.078952
    43  H    4.850130   4.444010   5.247721   5.306906   6.237953
    44  H    5.375884   4.644943   5.755548   6.080959   6.981132
    45  H    3.660486   3.103774   3.971424   4.413373   5.193978
    46  C    5.397086   5.110243   5.047558   6.287550   6.033400
    47  H    6.222413   6.067464   5.697119   7.084923   6.506655
    48  H    4.500391   4.331081   4.023213   5.431582   5.012002
    49  H    5.813001   5.315163   5.583407   6.774207   6.712014
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.785211   0.000000
    33  H    1.798469   1.793284   0.000000
    34  C    2.823244   2.716266   3.415716   0.000000
    35  H    2.854722   3.315684   3.905467   1.103596   0.000000
    36  H    3.850859   3.595128   4.167952   1.097010   1.795816
    37  H    2.968435   2.374276   3.619899   1.099635   1.790454
    38  C    7.763033   6.361317   7.208628   5.732205   6.716137
    39  O    8.261105   6.802994   7.450524   6.478241   7.520092
    40  N    7.091758   5.915153   6.681875   4.778227   5.699415
    41  H    8.045316   6.583798   7.659476   6.028376   6.958047
    42  C    6.977161   6.010344   6.387556   4.719333   5.626558
    43  H    7.224514   6.159364   6.370529   5.287765   6.267564
    44  H    7.823991   6.986790   7.307363   5.421117   6.214129
    45  H    6.041493   5.254557   5.538305   3.761199   4.638093
    46  C    6.731649   5.703861   6.703341   4.181124   4.938966
    47  H    7.166399   6.014258   7.227375   4.762239   5.482744
    48  H    5.660330   4.729640   5.745871   3.087167   3.858207
    49  H    7.336613   6.505048   7.406438   4.614801   5.213703
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795607   0.000000
    38  C    5.111437   5.409606   0.000000
    39  O    5.896639   6.214799   1.243019   0.000000
    40  N    4.004263   4.633781   1.362037   2.314746   0.000000
    41  H    5.493532   5.531634   1.108109   2.058364   2.059486
    42  C    3.836662   4.894951   2.474813   2.866522   1.468185
    43  H    4.526998   5.448026   2.571865   2.456972   2.106304
    44  H    4.429084   5.690972   3.109278   3.485313   2.116008
    45  H    2.859852   4.097993   3.255857   3.736203   2.104298
    46  C    3.411939   3.945689   2.467195   3.632581   1.464162
    47  H    4.161847   4.292880   2.555215   3.795829   2.107125
    48  H    2.384649   2.863503   3.143588   4.206328   2.107735
    49  H    3.704933   4.553879   3.223048   4.333258   2.112777
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.423633   0.000000
    43  H    3.658254   1.097521   0.000000
    44  H    3.993103   1.102382   1.799041   0.000000
    45  H    4.092702   1.102753   1.800008   1.792618   0.000000
    46  C    2.567546   2.490290   3.392684   2.916913   2.615080
    47  H    2.165806   3.420961   4.192636   3.854942   3.651890
    48  H    3.302067   2.762694   3.628620   3.368592   2.440258
    49  H    3.362693   2.757403   3.798495   2.765856   2.877105
                   46         47         48         49
    46  C    0.000000
    47  H    1.098591   0.000000
    48  H    1.103828   1.796038   0.000000
    49  H    1.101738   1.796939   1.791930   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2172460      0.1958192      0.1848164
 Leave Link  202 at Mon Nov 14 05:11:58 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1853.2201623130 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1864268521 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1853.0337354610 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4047
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.10D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     238
 GePol: Fraction of low-weight points (<1% of avg)   =       5.88%
 GePol: Cavity surface area                          =    467.605 Ang**2
 GePol: Cavity volume                                =    458.547 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040067042 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1853.0297287568 Hartrees.
 Leave Link  301 at Mon Nov 14 05:11:59 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11995 LenP2D=   37544.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   446   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:12:00 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:12:00 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000260    0.011276   -0.017270
         Rot=    1.000000    0.000362    0.000127   -0.000360 Ang=   0.06 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50783975704    
 Leave Link  401 at Mon Nov 14 05:12:07 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49134627.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   2025.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.08D-15 for   2460    171.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.18D-14 for   2567.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.17D-10 for   3419   2565.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.13D-14 for   2567.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.29D-14 for   2244    133.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.89D-15 for     82.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.02D-16 for   2416    175.
 E= -1013.44861955196    
 DIIS: error= 1.31D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44861955196     IErMin= 1 ErrMin= 1.31D-03
 ErrMax= 1.31D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-03 BMatP= 1.52D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.31D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 GapD=    0.327 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.47D-04 MaxDP=7.65D-03              OVMax= 8.92D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.47D-04    CP:  1.00D+00
 E= -1013.45122996433     Delta-E=       -0.002610412362 Rises=F Damp=F
 DIIS: error= 1.69D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45122996433     IErMin= 2 ErrMin= 1.69D-04
 ErrMax= 1.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.45D-05 BMatP= 1.52D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.69D-03
 Coeff-Com:  0.297D-01 0.970D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.297D-01 0.970D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.14D-05 MaxDP=2.84D-03 DE=-2.61D-03 OVMax= 3.59D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.03D-05    CP:  1.00D+00  9.61D-01
 E= -1013.45110925010     Delta-E=        0.000120714221 Rises=F Damp=F
 DIIS: error= 4.71D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45122996433     IErMin= 2 ErrMin= 1.69D-04
 ErrMax= 4.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-04 BMatP= 3.45D-05
 IDIUse=3 WtCom= 3.15D-01 WtEn= 6.85D-01
 Coeff-Com:  0.376D-02 0.706D+00 0.290D+00
 Coeff-En:   0.000D+00 0.786D+00 0.214D+00
 Coeff:      0.119D-02 0.761D+00 0.238D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.01D-05 MaxDP=1.97D-03 DE= 1.21D-04 OVMax= 2.57D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.30D-05    CP:  1.00D+00  9.70D-01  4.62D-01
 E= -1013.45125735670     Delta-E=       -0.000148106596 Rises=F Damp=F
 DIIS: error= 5.46D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45125735670     IErMin= 4 ErrMin= 5.46D-05
 ErrMax= 5.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.22D-06 BMatP= 3.45D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.605D-04 0.294D+00 0.563D-01 0.650D+00
 Coeff:      0.605D-04 0.294D+00 0.563D-01 0.650D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.42D-06 MaxDP=3.14D-04 DE=-1.48D-04 OVMax= 3.98D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.33D-06    CP:  1.00D+00  9.76D-01  3.73D-01  7.16D-01
 E= -1013.45125974315     Delta-E=       -0.000002386447 Rises=F Damp=F
 DIIS: error= 3.79D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45125974315     IErMin= 5 ErrMin= 3.79D-05
 ErrMax= 3.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.10D-07 BMatP= 3.22D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.154D-04 0.144D+00 0.171D-01 0.420D+00 0.419D+00
 Coeff:      0.154D-04 0.144D+00 0.171D-01 0.420D+00 0.419D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.11D-06 MaxDP=1.40D-04 DE=-2.39D-06 OVMax= 1.55D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.00D+00  9.77D-01  3.66D-01  7.39D-01  6.57D-01
 E= -1013.45126030696     Delta-E=       -0.000000563810 Rises=F Damp=F
 DIIS: error= 6.99D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45126030696     IErMin= 6 ErrMin= 6.99D-06
 ErrMax= 6.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-08 BMatP= 6.10D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.300D-06 0.600D-01 0.624D-02 0.187D+00 0.222D+00 0.524D+00
 Coeff:     -0.300D-06 0.600D-01 0.624D-02 0.187D+00 0.222D+00 0.524D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.13D-07 MaxDP=3.41D-05 DE=-5.64D-07 OVMax= 2.72D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.64D-07    CP:  1.00D+00  9.77D-01  3.68D-01  7.43D-01  6.56D-01
                    CP:  8.74D-01
 E= -1013.45126032042     Delta-E=       -0.000000013462 Rises=F Damp=F
 DIIS: error= 2.33D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45126032042     IErMin= 7 ErrMin= 2.33D-06
 ErrMax= 2.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-09 BMatP= 1.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-04 0.139D-01 0.126D-02 0.475D-01 0.683D-01 0.306D+00
 Coeff-Com:  0.563D+00
 Coeff:     -0.142D-04 0.139D-01 0.126D-02 0.475D-01 0.683D-01 0.306D+00
 Coeff:      0.563D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.60D-07 MaxDP=1.09D-05 DE=-1.35D-08 OVMax= 1.07D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.23D-07    CP:  1.00D+00  9.77D-01  3.68D-01  7.46D-01  6.55D-01
                    CP:  8.78D-01  7.50D-01
 E= -1013.45126032201     Delta-E=       -0.000000001592 Rises=F Damp=F
 DIIS: error= 1.12D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45126032201     IErMin= 8 ErrMin= 1.12D-06
 ErrMax= 1.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-10 BMatP= 2.52D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.931D-05 0.594D-02 0.480D-03 0.217D-01 0.343D-01 0.186D+00
 Coeff-Com:  0.404D+00 0.347D+00
 Coeff:     -0.931D-05 0.594D-02 0.480D-03 0.217D-01 0.343D-01 0.186D+00
 Coeff:      0.404D+00 0.347D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.87D-08 MaxDP=5.28D-06 DE=-1.59D-09 OVMax= 7.10D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.75D-08    CP:  1.00D+00  9.77D-01  3.68D-01  7.45D-01  6.58D-01
                    CP:  8.78D-01  7.48D-01  5.94D-01
 E= -1013.45126032255     Delta-E=       -0.000000000543 Rises=F Damp=F
 DIIS: error= 3.60D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45126032255     IErMin= 9 ErrMin= 3.60D-07
 ErrMax= 3.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.89D-11 BMatP= 6.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.367D-05 0.856D-03 0.699D-04 0.361D-02 0.709D-02 0.511D-01
 Coeff-Com:  0.134D+00 0.250D+00 0.553D+00
 Coeff:     -0.367D-05 0.856D-03 0.699D-04 0.361D-02 0.709D-02 0.511D-01
 Coeff:      0.134D+00 0.250D+00 0.553D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.43D-08 MaxDP=1.29D-06 DE=-5.43D-10 OVMax= 1.84D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.34D-08    CP:  1.00D+00  9.77D-01  3.68D-01  7.45D-01  6.58D-01
                    CP:  8.81D-01  7.48D-01  6.30D-01  6.69D-01
 E= -1013.45126032262     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 3.31D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45126032262     IErMin=10 ErrMin= 3.31D-08
 ErrMax= 3.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-12 BMatP= 5.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-05 0.123D-03 0.108D-04 0.687D-03 0.180D-02 0.158D-01
 Coeff-Com:  0.452D-01 0.103D+00 0.257D+00 0.576D+00
 Coeff:     -0.119D-05 0.123D-03 0.108D-04 0.687D-03 0.180D-02 0.158D-01
 Coeff:      0.452D-01 0.103D+00 0.257D+00 0.576D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.43D-09 MaxDP=1.54D-07 DE=-6.55D-11 OVMax= 1.70D-07

 Error on total polarization charges =  0.04297
 SCF Done:  E(RB97D) =  -1013.45126032     A.U. after   10 cycles
            NFock= 10  Conv=0.44D-08     -V/T= 2.0213
 KE= 9.923370778110D+02 PE=-6.037528124970D+03 EE= 2.178710058079D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.51
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:14:10 2016, MaxMem=  2952790016 cpu:      1409.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11995 LenP2D=   37544.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 05:14:18 2016, MaxMem=  2952790016 cpu:        99.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:14:18 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:14:55 2016, MaxMem=  2952790016 cpu:       442.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.22801577D+00-2.52052535D+00 3.32104299D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000328933   -0.000876206    0.000459682
      2        6           0.000854266   -0.000205357    0.000224112
      3        8          -0.000003979    0.000166003   -0.000205636
      4        7           0.000297828    0.000929221    0.000423738
      5        1          -0.000068590    0.000076646    0.000284612
      6        6          -0.000745183   -0.000743410   -0.000489448
      7        1           0.000176183    0.000170447    0.000007714
      8        1          -0.000150851   -0.000152057   -0.001197634
      9        1           0.000086845    0.000058930    0.000142038
     10        6          -0.000348021    0.000631677    0.000058639
     11        1           0.000143992    0.000065829    0.000061070
     12        1           0.000032002   -0.000041949   -0.000095419
     13        1           0.000100317    0.000019642    0.000029737
     14        6          -0.001868088    0.000682844   -0.002787229
     15        8          -0.000022627   -0.000108290   -0.000938253
     16        7           0.002910410   -0.000877951    0.001247609
     17        1          -0.000041578   -0.000068694   -0.000008753
     18        6          -0.001034082   -0.000111475    0.000827026
     19        1          -0.000307913    0.000596487   -0.000587200
     20        1          -0.000164222    0.000094808    0.000006983
     21        1          -0.000293740    0.000077034    0.000065019
     22        6           0.000529703   -0.000719558    0.001920913
     23        1          -0.000060658    0.000205355   -0.000311891
     24        1          -0.000226711    0.000351097    0.000221946
     25        1          -0.000058330    0.000005832   -0.000105289
     26        6           0.000189362   -0.000189357   -0.000135422
     27        8          -0.000637332   -0.000532900    0.000130329
     28        7           0.000054579   -0.000023926    0.000285186
     29        1           0.000219431   -0.000144363    0.000037532
     30        6           0.001757906    0.001050804   -0.000328021
     31        1          -0.000006415    0.000039340    0.000081968
     32        1          -0.001277238   -0.000658623   -0.000269778
     33        1           0.000050099   -0.000195294   -0.000045986
     34        6          -0.000097081   -0.000041207    0.000300410
     35        1          -0.000048176   -0.000040392   -0.000008689
     36        1          -0.000184028    0.000118704   -0.000076689
     37        1           0.000228261   -0.000009664    0.000164548
     38        6           0.000723953    0.000641357    0.000487104
     39        8          -0.000467527    0.000285531   -0.000215564
     40        7           0.000005446    0.000022898    0.000108213
     41        1           0.000288302   -0.000542369   -0.000285942
     42        6          -0.000512179   -0.001135501    0.000936291
     43        1           0.000242813   -0.000171463    0.000020140
     44        1           0.000468151    0.000095159   -0.000196592
     45        1          -0.000736732    0.000652413   -0.000140112
     46        6           0.000128665    0.000515536   -0.000462416
     47        1          -0.000043192    0.000085766    0.000052488
     48        1           0.000232840   -0.000039494    0.000252884
     49        1           0.000012052   -0.000009861    0.000054034
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002910410 RMS     0.000593375
 Leave Link  716 at Mon Nov 14 05:14:55 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002179370 RMS     0.000157693
 Search for a local minimum.
 Step number 116 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15769D-03 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points  102  103  104  105  106
                                                    108  107  110  111  112
                                                    113  114  116  115
 DE=  1.85D-04 DEPred=-2.63D-05 R=-7.06D+00
 Trust test=-7.06D+00 RLast= 5.61D-01 DXMaxT set to 1.60D-01
 ITU= -1  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1
 ITU=  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0
 ITU=  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 Use linear search instead of GDIIS.
 Energy rises -- skip Quadratic/GDIIS search.
 Quartic linear search produced a step of -0.93505.
 Iteration  1 RMS(Cart)=  0.01733035 RMS(Int)=  0.00064470
 Iteration  2 RMS(Cart)=  0.00030941 RMS(Int)=  0.00001294
 Iteration  3 RMS(Cart)=  0.00000094 RMS(Int)=  0.00001291
 ITry= 1 IFail=0 DXMaxC= 1.17D-01 DCOld= 1.00D+10 DXMaxT= 1.60D-01 DXLimC= 3.00D+00 Rises=T
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58145  -0.00006   0.00626   0.00000   0.00626   6.58771
    R2        6.21502   0.00017   0.03222   0.00000   0.03221   6.24723
    R3        7.09706  -0.00003   0.08726   0.00000   0.08727   7.18432
    R4        6.12655  -0.00006   0.11653   0.00000   0.11653   6.24308
    R5        6.51544   0.00010   0.01339   0.00000   0.01339   6.52883
    R6        5.95562   0.00011   0.01843   0.00000   0.01842   5.97404
    R7        6.70680  -0.00065  -0.02105   0.00000  -0.02105   6.68575
    R8        6.20669   0.00002   0.01007   0.00000   0.01007   6.21677
    R9        6.61935   0.00030   0.02317   0.00000   0.02317   6.64253
   R10        6.04984   0.00012   0.00456   0.00000   0.00456   6.05440
   R11        6.92489  -0.00016   0.01054   0.00000   0.01054   6.93543
   R12        6.01660  -0.00030   0.00282   0.00000   0.00282   6.01942
   R13        6.89296  -0.00032  -0.00937   0.00000  -0.00937   6.88359
   R14        6.18460   0.00016   0.00759   0.00000   0.00760   6.19219
   R15        6.81411   0.00061   0.02012   0.00000   0.02012   6.83423
   R16        5.92427  -0.00001   0.01437   0.00000   0.01437   5.93864
   R17        6.70463   0.00001  -0.00457   0.00000  -0.00457   6.70007
   R18        6.54581  -0.00015   0.00324   0.00000   0.00324   6.54905
   R19        6.22179  -0.00003  -0.00478   0.00000  -0.00477   6.21702
   R20        6.53676  -0.00005   0.02817   0.00000   0.02817   6.56493
   R21        5.95349   0.00024   0.08542   0.00000   0.08541   6.03891
   R22        7.05573  -0.00018  -0.02992   0.00000  -0.02991   7.02582
   R23        6.07197   0.00013  -0.02224   0.00000  -0.02225   6.04972
   R24        2.34907   0.00001   0.00046   0.00000   0.00046   2.34953
   R25        2.57442  -0.00031  -0.00272   0.00000  -0.00270   2.57172
   R26        2.09438   0.00012   0.00033   0.00000   0.00033   2.09472
   R27        2.77065  -0.00064  -0.00400   0.00000  -0.00400   2.76666
   R28        2.77066  -0.00017  -0.00127   0.00000  -0.00124   2.76941
   R29        2.07666   0.00000  -0.00009   0.00000  -0.00009   2.07657
   R30        2.08541  -0.00054  -0.00321   0.00000  -0.00322   2.08218
   R31        2.08194   0.00003   0.00045   0.00000   0.00045   2.08238
   R32        2.07982   0.00007   0.00091   0.00000   0.00090   2.08072
   R33        2.07449   0.00006   0.00025   0.00000   0.00025   2.07474
   R34        2.08314   0.00005   0.00018   0.00000   0.00018   2.08332
   R35        2.34839  -0.00090   0.00025   0.00000   0.00025   2.34865
   R36        2.57996  -0.00218  -0.00781   0.00000  -0.00781   2.57216
   R37        2.09414  -0.00001   0.00011   0.00000   0.00011   2.09425
   R38        2.76411   0.00105   0.00586   0.00000   0.00587   2.76997
   R39        2.76974  -0.00053  -0.00362   0.00000  -0.00361   2.76613
   R40        2.07842   0.00058   0.00319   0.00000   0.00318   2.08159
   R41        2.08423   0.00005  -0.00025   0.00000  -0.00025   2.08399
   R42        2.07385   0.00009  -0.00038   0.00000  -0.00038   2.07347
   R43        2.08325   0.00001  -0.00002   0.00000  -0.00002   2.08323
   R44        2.08311   0.00040   0.00065   0.00000   0.00062   2.08372
   R45        2.07698  -0.00002  -0.00026   0.00000  -0.00026   2.07672
   R46        2.34790  -0.00029   0.00009   0.00000   0.00009   2.34799
   R47        2.57291  -0.00037  -0.00082   0.00000  -0.00084   2.57207
   R48        2.09364   0.00006   0.00009   0.00000   0.00009   2.09373
   R49        2.76624  -0.00006   0.00033   0.00000   0.00030   2.76655
   R50        2.76702   0.00013   0.00133   0.00000   0.00132   2.76834
   R51        2.08456   0.00001  -0.00011   0.00000  -0.00011   2.08446
   R52        2.07767   0.00116   0.00511   0.00000   0.00513   2.08279
   R53        2.07639  -0.00001  -0.00001   0.00000  -0.00001   2.07638
   R54        2.08549  -0.00003  -0.00035   0.00000  -0.00035   2.08514
   R55        2.07305   0.00019   0.00104   0.00000   0.00104   2.07409
   R56        2.07801  -0.00019  -0.00035   0.00000  -0.00035   2.07766
   R57        2.34897   0.00042  -0.00037   0.00000  -0.00037   2.34860
   R58        2.57388  -0.00018  -0.00001   0.00000  -0.00002   2.57385
   R59        2.09402   0.00012   0.00065   0.00000   0.00065   2.09468
   R60        2.77447  -0.00037  -0.00422   0.00000  -0.00424   2.77023
   R61        2.76686  -0.00032  -0.00142   0.00000  -0.00139   2.76548
   R62        2.07401  -0.00006   0.00019   0.00000   0.00019   2.07421
   R63        2.08320  -0.00011   0.00029   0.00000   0.00029   2.08349
   R64        2.08390  -0.00053  -0.00333   0.00000  -0.00335   2.08056
   R65        2.07604  -0.00003  -0.00001   0.00000  -0.00001   2.07602
   R66        2.08593   0.00009  -0.00027   0.00000  -0.00026   2.08567
   R67        2.08198   0.00004   0.00010   0.00000   0.00010   2.08208
    A1        0.69217  -0.00011  -0.00696   0.00000  -0.00695   0.68522
    A2        0.97222  -0.00020  -0.00940   0.00000  -0.00939   0.96283
    A3        0.72901  -0.00011  -0.00140   0.00000  -0.00140   0.72761
    A4        1.02305  -0.00009  -0.00286   0.00000  -0.00286   1.02020
    A5        2.38375  -0.00016  -0.00994   0.00000  -0.00994   2.37381
    A6        2.04917   0.00016  -0.00901   0.00000  -0.00901   2.04015
    A7        1.97807   0.00013  -0.00797   0.00000  -0.00797   1.97010
    A8        1.67590   0.00004  -0.00565   0.00000  -0.00565   1.67025
    A9        1.68599   0.00019  -0.00779   0.00000  -0.00780   1.67820
   A10        1.40026   0.00013  -0.00715   0.00000  -0.00715   1.39311
   A11        1.73526  -0.00006   0.00256   0.00000   0.00255   1.73782
   A12        2.04413  -0.00008   0.00240   0.00000   0.00239   2.04652
   A13        1.95662  -0.00012   0.00048   0.00000   0.00047   1.95709
   A14        2.05864  -0.00006  -0.00250   0.00000  -0.00251   2.05613
   A15        2.43355  -0.00009   0.00318   0.00000   0.00317   2.43672
   A16        1.62140   0.00005  -0.03077   0.00000  -0.03077   1.59063
   A17        1.82086   0.00002  -0.02961   0.00000  -0.02961   1.79125
   A18        1.59428   0.00001  -0.02503   0.00000  -0.02504   1.56924
   A19        1.72615  -0.00012  -0.01658   0.00000  -0.01658   1.70957
   A20        2.22081  -0.00003  -0.02742   0.00000  -0.02742   2.19339
   A21        2.44074  -0.00001  -0.02802   0.00000  -0.02801   2.41273
   A22        0.66070  -0.00019  -0.01050   0.00000  -0.01051   0.65019
   A23        0.66347  -0.00001  -0.00299   0.00000  -0.00299   0.66048
   A24        2.45201  -0.00009  -0.00692   0.00000  -0.00692   2.44509
   A25        2.26031   0.00012  -0.00767   0.00000  -0.00767   2.25264
   A26        2.33066   0.00012  -0.00854   0.00000  -0.00853   2.32212
   A27        2.05161   0.00002  -0.00596   0.00000  -0.00595   2.04565
   A28        1.85142   0.00019  -0.00625   0.00000  -0.00625   1.84517
   A29        1.60397   0.00015  -0.00621   0.00000  -0.00620   1.59777
   A30        1.33934  -0.00002   0.00363   0.00000   0.00362   1.34297
   A31        1.64398  -0.00002   0.00355   0.00000   0.00354   1.64751
   A32        1.60420  -0.00007   0.00149   0.00000   0.00147   1.60567
   A33        1.77156   0.00002  -0.00135   0.00000  -0.00136   1.77020
   A34        2.03552  -0.00004   0.00419   0.00000   0.00418   2.03970
   A35        1.89235  -0.00003  -0.03275   0.00000  -0.03276   1.85959
   A36        1.95845  -0.00006  -0.03015   0.00000  -0.03015   1.92831
   A37        1.60481  -0.00003  -0.02529   0.00000  -0.02529   1.57952
   A38        1.61278  -0.00011  -0.01508   0.00000  -0.01507   1.59771
   A39        2.30753  -0.00012  -0.02520   0.00000  -0.02520   2.28233
   A40        2.39924  -0.00011  -0.02324   0.00000  -0.02323   2.37601
   A41        0.70258  -0.00009  -0.00784   0.00000  -0.00784   0.69474
   A42        0.76005  -0.00002  -0.00811   0.00000  -0.00811   0.75194
   A43        2.72150  -0.00005  -0.00472   0.00000  -0.00470   2.71680
   A44        2.65394   0.00002  -0.01396   0.00000  -0.01395   2.63998
   A45        2.66332   0.00001  -0.01415   0.00000  -0.01414   2.64917
   A46        2.34938  -0.00008  -0.01213   0.00000  -0.01212   2.33726
   A47        2.24305   0.00009  -0.01262   0.00000  -0.01262   2.23043
   A48        2.00205   0.00006  -0.01325   0.00000  -0.01324   1.98881
   A49        1.09517   0.00006   0.00753   0.00000   0.00752   1.10269
   A50        1.45908   0.00003   0.00709   0.00000   0.00708   1.46616
   A51        1.57668  -0.00007   0.00193   0.00000   0.00191   1.57860
   A52        1.82635   0.00004  -0.00126   0.00000  -0.00128   1.82508
   A53        1.77436   0.00002   0.00932   0.00000   0.00930   1.78367
   A54        1.74829  -0.00003  -0.02734   0.00000  -0.02734   1.72094
   A55        1.67704  -0.00001  -0.02216   0.00000  -0.02216   1.65488
   A56        1.27094   0.00005  -0.01788   0.00000  -0.01788   1.25307
   A57        1.22702  -0.00001  -0.00757   0.00000  -0.00757   1.21944
   A58        1.96200  -0.00005  -0.01543   0.00000  -0.01542   1.94658
   A59        2.00785  -0.00002  -0.01467   0.00000  -0.01466   1.99318
   A60        0.86251  -0.00017  -0.01324   0.00000  -0.01324   0.84927
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   A290       1.91088   0.00022   0.00105   0.00000   0.00105   1.91193
   A291       1.89007   0.00011   0.00049   0.00000   0.00049   1.89056
   A292       1.91164  -0.00006   0.00101   0.00000   0.00101   1.91265
   A293       1.90817  -0.00002  -0.00023   0.00000  -0.00023   1.90794
   A294       1.37996  -0.00022  -0.01853   0.00000  -0.01853   1.36143
   A295       1.13709   0.00021   0.01129   0.00000   0.01129   1.14838
   A296       1.93361  -0.00001   0.00034   0.00000   0.00033   1.93394
   A297       1.90869   0.00001  -0.00083   0.00000  -0.00083   1.90786
   A298       1.90110   0.00008   0.00008   0.00000   0.00009   1.90119
   A299       1.90910   0.00005   0.00045   0.00000   0.00045   1.90955
   A300       1.89737  -0.00010   0.00085   0.00000   0.00085   1.89821
   A301       1.91387  -0.00003  -0.00090   0.00000  -0.00091   1.91296
   A302       1.59143   0.00026   0.03422   0.00000   0.03422   1.62564
   A303       1.86632  -0.00045  -0.04492   0.00000  -0.04493   1.82139
   A304       2.18731   0.00014   0.00066   0.00000   0.00069   2.18800
   A305       2.13103  -0.00002   0.00007   0.00000   0.00003   2.13106
   A306       1.96467  -0.00012  -0.00092   0.00000  -0.00091   1.96376
   A307       2.12771  -0.00003  -0.00254   0.00000  -0.00256   2.12515
   A308       2.12180   0.00011   0.00168   0.00000   0.00170   2.12350
   A309       2.02912  -0.00008   0.00149   0.00000   0.00149   2.03061
   A310       1.32260  -0.00010  -0.02160   0.00000  -0.02161   1.30099
   A311       3.01957  -0.00003   0.03078   0.00000   0.03077   3.05034
   A312       1.91134  -0.00004   0.00112   0.00000   0.00116   1.91250
   A313       1.91972  -0.00001   0.00802   0.00000   0.00807   1.92778
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   A315       1.91509   0.00012  -0.00468   0.00000  -0.00472   1.91037
   A316       1.91614  -0.00017  -0.00311   0.00000  -0.00313   1.91301
   A317       1.89833  -0.00013  -0.00051   0.00000  -0.00053   1.89779
   A318       1.80081   0.00003  -0.01966   0.00000  -0.01966   1.78115
   A319       1.91623  -0.00004  -0.00063   0.00000  -0.00063   1.91560
   A320       1.91158   0.00024   0.00147   0.00000   0.00148   1.91306
   A321       1.92078  -0.00003   0.00045   0.00000   0.00045   1.92123
   A322       1.90713  -0.00006  -0.00054   0.00000  -0.00054   1.90659
   A323       1.91123  -0.00004  -0.00035   0.00000  -0.00035   1.91088
   A324       1.89671  -0.00007  -0.00041   0.00000  -0.00041   1.89630
   A325       2.95029  -0.00007  -0.01736   0.00000  -0.01736   2.93293
   A326       3.41214   0.00008  -0.02437   0.00000  -0.02437   3.38777
   A327       3.12640   0.00002  -0.02373   0.00000  -0.02372   3.10268
   A328       3.21283  -0.00001  -0.00991   0.00000  -0.00991   3.20292
   A329       3.25099  -0.00001   0.01494   0.00000   0.01494   3.26593
   A330       3.28906  -0.00017  -0.01808   0.00000  -0.01808   3.27098
   A331       3.71204  -0.00001  -0.02001   0.00000  -0.02001   3.69203
   A332       3.27449   0.00004  -0.00787   0.00000  -0.00787   3.26662
   A333       2.94812  -0.00002  -0.00381   0.00000  -0.00382   2.94429
   A334       2.89042  -0.00010  -0.00313   0.00000  -0.00314   2.88728
   A335       3.22178   0.00006   0.00379   0.00000   0.00379   3.22557
   A336       3.07929  -0.00008  -0.00193   0.00000  -0.00193   3.07737
   A337       3.09905   0.00003   0.00418   0.00000   0.00418   3.10323
   A338       3.05649   0.00004  -0.00292   0.00000  -0.00292   3.05357
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    D3        2.79109  -0.00001  -0.00613   0.00000  -0.00613   2.78496
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    D5        1.65203   0.00003   0.00508   0.00000   0.00508   1.65711
    D6       -2.46115   0.00003   0.00125   0.00000   0.00125  -2.45989
    D7        1.82796   0.00000   0.00814   0.00000   0.00814   1.83610
    D8       -2.28521   0.00000   0.00431   0.00000   0.00431  -2.28090
    D9        0.25280   0.00004  -0.00068   0.00000  -0.00069   0.25211
   D10        2.42281   0.00003  -0.00451   0.00000  -0.00451   2.41830
   D11       -0.01341   0.00014  -0.00053   0.00000  -0.00053  -0.01394
   D12        2.15660   0.00014  -0.00436   0.00000  -0.00436   2.15224
   D13       -0.48340  -0.00006   0.00174   0.00000   0.00174  -0.48167
   D14        1.68661  -0.00006  -0.00209   0.00000  -0.00209   1.68451
   D15       -0.58360  -0.00005  -0.00205   0.00000  -0.00206  -0.58566
   D16        1.58641  -0.00005  -0.00588   0.00000  -0.00589   1.58052
   D17        0.18907   0.00004  -0.00147   0.00000  -0.00147   0.18760
   D18        2.35908   0.00004  -0.00529   0.00000  -0.00530   2.35378
   D19        0.13137  -0.00003  -0.00078   0.00000  -0.00079   0.13058
   D20        2.30138  -0.00004  -0.00461   0.00000  -0.00462   2.29676
   D21        2.37898  -0.00003   0.00224   0.00000   0.00224   2.38122
   D22       -1.73420  -0.00003  -0.00159   0.00000  -0.00159  -1.73578
   D23        2.14250   0.00001   0.00065   0.00000   0.00065   2.14315
   D24       -1.97068   0.00001  -0.00318   0.00000  -0.00318  -1.97386
   D25        1.69203   0.00010   0.00226   0.00000   0.00227   1.69431
   D26       -2.42114   0.00009  -0.00157   0.00000  -0.00156  -2.42270
   D27        1.38425  -0.00004   0.00163   0.00000   0.00164   1.38589
   D28       -2.72893  -0.00004  -0.00220   0.00000  -0.00219  -2.73112
   D29        2.36437   0.00009   0.00035   0.00000   0.00036   2.36473
   D30       -1.74880   0.00008  -0.00347   0.00000  -0.00347  -1.75227
   D31       -1.73261  -0.00004  -0.00649   0.00000  -0.00650  -1.73911
   D32        0.43740  -0.00004  -0.01031   0.00000  -0.01033   0.42707
   D33       -2.08726  -0.00004  -0.00422   0.00000  -0.00423  -2.09149
   D34        0.08275  -0.00004  -0.00805   0.00000  -0.00806   0.07470
   D35       -2.46379   0.00003  -0.00321   0.00000  -0.00320  -2.46698
   D36       -0.29378   0.00003  -0.00704   0.00000  -0.00703  -0.30080
   D37       -2.75905   0.00007   0.00235   0.00000   0.00235  -2.75670
   D38       -0.58904   0.00007  -0.00148   0.00000  -0.00148  -0.59052
   D39       -2.11755  -0.00013  -0.00047   0.00000  -0.00048  -2.11803
   D40        0.05246  -0.00013  -0.00430   0.00000  -0.00431   0.04816
   D41       -2.36309  -0.00019   0.00122   0.00000   0.00122  -2.36187
   D42       -0.19308  -0.00019  -0.00261   0.00000  -0.00261  -0.19569
   D43        1.26200   0.00008   0.00096   0.00000   0.00096   1.26296
   D44       -1.98941   0.00005   0.02937   0.00000   0.02937  -1.96004
   D45        2.43885   0.00004   0.01045   0.00000   0.01045   2.44930
   D46       -0.81256   0.00002   0.03886   0.00000   0.03886  -0.77370
   D47        2.91758   0.00007   0.01421   0.00000   0.01421   2.93179
   D48       -0.33383   0.00004   0.04262   0.00000   0.04262  -0.29121
   D49        2.92281  -0.00053  -0.03538   0.00000  -0.03540   2.88740
   D50       -0.32860  -0.00055  -0.00697   0.00000  -0.00699  -0.33560
   D51        2.00717   0.00027  -0.01333   0.00000  -0.01336   1.99380
   D52       -1.24424   0.00025   0.01508   0.00000   0.01505  -1.22919
   D53        1.05344  -0.00011   0.01451   0.00000   0.01453   1.06796
   D54       -2.19797  -0.00013   0.04292   0.00000   0.04294  -2.15503
   D55        0.97483  -0.00002   0.00509   0.00000   0.00509   0.97992
   D56       -2.27658  -0.00004   0.03351   0.00000   0.03350  -2.24307
   D57        2.01457   0.00013  -0.00572   0.00000  -0.00574   2.00883
   D58       -1.23683   0.00011   0.02269   0.00000   0.02267  -1.21416
   D59        1.82100   0.00002  -0.00148   0.00000  -0.00150   1.81951
   D60       -1.43040   0.00000   0.02693   0.00000   0.02691  -1.40349
   D61       -2.30741   0.00001   0.00840   0.00000   0.00840  -2.29900
   D62        0.72437  -0.00002   0.03681   0.00000   0.03681   0.76119
   D63       -2.42663   0.00003   0.00498   0.00000   0.00499  -2.42164
   D64        0.60515   0.00001   0.03339   0.00000   0.03340   0.63855
   D65       -2.82852   0.00005   0.00497   0.00000   0.00497  -2.82355
   D66        0.20326   0.00003   0.03338   0.00000   0.03338   0.23664
   D67       -2.99042  -0.00005   0.00066   0.00000   0.00066  -2.98976
   D68        0.04135  -0.00007   0.02907   0.00000   0.02907   0.07042
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   D70        0.89201   0.00005   0.03174   0.00000   0.03174   0.92375
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   D72        2.85925  -0.00002   0.04709   0.00000   0.04710   2.90635
   D73       -0.57317   0.00002   0.01921   0.00000   0.01922  -0.55395
   D74        2.45860  -0.00001   0.04762   0.00000   0.04763   2.50624
   D75       -0.73285   0.00003   0.01371   0.00000   0.01373  -0.71912
   D76        2.29893   0.00001   0.04212   0.00000   0.04214   2.34107
   D77       -1.06939   0.00013   0.01202   0.00000   0.01202  -1.05737
   D78        1.96238   0.00011   0.04043   0.00000   0.04043   2.00282
   D79       -0.86530   0.00003   0.02472   0.00000   0.02473  -0.84057
   D80        2.16647   0.00001   0.05313   0.00000   0.05314   2.21962
   D81       -1.16943  -0.00001   0.02495   0.00000   0.02496  -1.14447
   D82        1.86235  -0.00003   0.05336   0.00000   0.05337   1.91572
   D83       -1.52776  -0.00002  -0.00362   0.00000  -0.00362  -1.53138
   D84       -2.61362   0.00003   0.00203   0.00000   0.00201  -2.61160
   D85       -2.94322   0.00007  -0.00224   0.00000  -0.00224  -2.94546
   D86        0.74381  -0.00020  -0.01549   0.00000  -0.01550   0.72831
   D87        0.31249   0.00013  -0.01506   0.00000  -0.01507   0.29742
   D88       -0.08848  -0.00006  -0.01474   0.00000  -0.01475  -0.10322
   D89       -0.41689  -0.00012  -0.01469   0.00000  -0.01470  -0.43159
   D90        0.20000   0.00011  -0.01367   0.00000  -0.01368   0.18632
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   D92        2.39678  -0.00008  -0.00796   0.00000  -0.00796   2.38882
   D93        2.05440  -0.00002  -0.00830   0.00000  -0.00830   2.04609
   D94        1.65318   0.00005  -0.00642   0.00000  -0.00641   1.64677
   D95        1.37200  -0.00009  -0.00708   0.00000  -0.00708   1.36492
   D96        2.06690   0.00006  -0.00775   0.00000  -0.00776   2.05914
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   D99       -2.64488   0.00002   0.00586   0.00000   0.00587  -2.63901
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   D110      -0.53170   0.00054   0.03922   0.00000   0.03920  -0.49250
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   D394       2.14668   0.00003  -0.03212   0.00000  -0.03211   2.11457
   D395      -0.34175   0.00005   0.00627   0.00000   0.00627  -0.33548
   D396       2.12711  -0.00004  -0.04564   0.00000  -0.04564   2.08147
   D397      -0.36132  -0.00002  -0.00726   0.00000  -0.00726  -0.36857
   D398       2.37062   0.00008  -0.05535   0.00000  -0.05532   2.31530
   D399      -0.11781   0.00010  -0.01696   0.00000  -0.01694  -0.13475
   D400       2.53398   0.00002  -0.02763   0.00000  -0.02762   2.50637
   D401       0.04555   0.00004   0.01076   0.00000   0.01076   0.05632
   D402      -1.52201   0.00003  -0.01430   0.00000  -0.01429  -1.53631
   D403       2.27274   0.00005   0.02408   0.00000   0.02409   2.29683
   D404      -2.61215  -0.00003  -0.01965   0.00000  -0.01966  -2.63181
   D405       1.18260  -0.00002   0.01873   0.00000   0.01872   1.20132
   D406      -2.95686  -0.00008  -0.02540   0.00000  -0.02541  -2.98227
   D407       0.83789  -0.00006   0.01298   0.00000   0.01298   0.85087
   D408       1.91773   0.00016   0.00056   0.00000   0.00057   1.91830
   D409       2.42975   0.00009  -0.01255   0.00000  -0.01256   2.41719
   D410       2.66648  -0.00001  -0.01256   0.00000  -0.01255   2.65393
   D411       2.89553  -0.00006  -0.00926   0.00000  -0.00924   2.88629
   D412       2.88892  -0.00007  -0.04125   0.00000  -0.04133   2.84760
   D413      -2.88561  -0.00006  -0.04227   0.00000  -0.04229  -2.92789
   D414      -0.72362   0.00016   0.00586   0.00000   0.00586  -0.71776
   D415      -0.34979  -0.00012   0.00888   0.00000   0.00887  -0.34092
   D416      -0.01840   0.00002   0.00117   0.00000   0.00116  -0.01724
   D417       0.28528   0.00008   0.00358   0.00000   0.00359   0.28887
   D418      -0.24493  -0.00011   0.01958   0.00000   0.01957  -0.22536
   D419       0.04497  -0.00002   0.02752   0.00000   0.02750   0.07247
   D420      -2.53285   0.00006  -0.00096   0.00000  -0.00095  -2.53379
   D421      -2.15282   0.00002   0.00070   0.00000   0.00071  -2.15211
   D422      -1.88364  -0.00010  -0.00801   0.00000  -0.00800  -1.89164
   D423      -1.56629   0.00006  -0.00611   0.00000  -0.00610  -1.57239
   D424      -1.96299   0.00001   0.00952   0.00000   0.00954  -1.95346
   D425       1.29285  -0.00001   0.01223   0.00000   0.01225   1.30510
   D426       2.47009  -0.00004   0.00501   0.00000   0.00501   2.47510
   D427       2.94667  -0.00013   0.00563   0.00000   0.00564   2.95231
   D428      -3.03889  -0.00018  -0.02057   0.00000  -0.02056  -3.05945
   D429       0.03435  -0.00015  -0.01020   0.00000  -0.01020   0.02415
   D430       0.07467  -0.00015  -0.02058   0.00000  -0.02058   0.05409
   D431      -3.13528  -0.00012  -0.01022   0.00000  -0.01022   3.13769
   D432      -0.12448  -0.00009   0.01742   0.00000   0.01742  -0.10707
   D433       1.97064   0.00005   0.01996   0.00000   0.01996   1.99060
   D434      -2.22012  -0.00003   0.01608   0.00000   0.01607  -2.20405
   D435       3.08217  -0.00010   0.00746   0.00000   0.00746   3.08962
   D436      -1.10589   0.00003   0.01000   0.00000   0.00999  -1.09590
   D437       0.98653  -0.00004   0.00611   0.00000   0.00611   0.99264
   D438      -2.37865   0.00003   0.00700   0.00000   0.00700  -2.37165
   D439      -0.28982   0.00004   0.00746   0.00000   0.00746  -0.28236
   D440       1.81778   0.00005   0.00763   0.00000   0.00763   1.82541
   D441       0.69777   0.00006   0.01697   0.00000   0.01696   0.71473
   D442       2.78659   0.00007   0.01743   0.00000   0.01742   2.80402
   D443      -1.38900   0.00007   0.01760   0.00000   0.01759  -1.37140
   D444       0.00159   0.00002   0.00299   0.00000   0.00299   0.00458
   D445       3.11562   0.00007  -0.00479   0.00000  -0.00479   3.11083
   D446      -3.11567  -0.00008   0.00169   0.00000   0.00169  -3.11399
   D447      -0.00164  -0.00004  -0.00610   0.00000  -0.00610  -0.00773
   D448       2.44495  -0.00002  -0.02463   0.00000  -0.02463   2.42031
   D449      -1.75318   0.00000  -0.02625   0.00000  -0.02625  -1.77943
   D450       0.35438  -0.00005  -0.02580   0.00000  -0.02580   0.32858
   D451      -0.67048  -0.00007  -0.01716   0.00000  -0.01716  -0.68764
   D452       1.41458  -0.00005  -0.01878   0.00000  -0.01879   1.39579
   D453      -2.76104  -0.00010  -0.01833   0.00000  -0.01833  -2.77938
   D454       2.02764   0.00001   0.01879   0.00000   0.01879   2.04643
   D455      -2.16845  -0.00011   0.01573   0.00000   0.01573  -2.15272
   D456      -0.07508   0.00001   0.01582   0.00000   0.01582  -0.05926
   D457      -1.14027   0.00006   0.01146   0.00000   0.01146  -1.12881
   D458       0.94683  -0.00006   0.00840   0.00000   0.00840   0.95523
   D459       3.04020   0.00006   0.00849   0.00000   0.00849   3.04869
   D460      -3.06850  -0.00038  -0.01143   0.00000  -0.01143  -3.07994
   D461      -0.01495  -0.00032  -0.00317   0.00000  -0.00317  -0.01812
   D462       0.08947  -0.00013  -0.01284   0.00000  -0.01284   0.07662
   D463      -3.14016  -0.00007  -0.00458   0.00000  -0.00458   3.13844
   D464       1.90219   0.00011   0.01133   0.00000   0.01132   1.91351
   D465      -2.29853   0.00009   0.01048   0.00000   0.01047  -2.28806
   D466      -0.20368   0.00002   0.00966   0.00000   0.00966  -0.19401
   D467      -1.15521   0.00007   0.00359   0.00000   0.00360  -1.15162
   D468       0.92725   0.00005   0.00274   0.00000   0.00274   0.92999
   D469       3.02211  -0.00002   0.00193   0.00000   0.00193   3.02404
   D470      -1.65100  -0.00003   0.00843   0.00000   0.00843  -1.64256
   D471       0.45459   0.00003   0.00867   0.00000   0.00867   0.46326
   D472       2.54597   0.00005   0.00713   0.00000   0.00713   2.55310
   D473       1.40684   0.00001   0.01608   0.00000   0.01608   1.42292
   D474      -2.77076   0.00006   0.01632   0.00000   0.01632  -2.75444
   D475      -0.67937   0.00008   0.01478   0.00000   0.01478  -0.66460
   D476       0.03845  -0.00028  -0.02449   0.00000  -0.02449   0.01397
   D477      -2.99684  -0.00029  -0.03224   0.00000  -0.03222  -3.02906
   D478      -3.12295  -0.00042  -0.03312   0.00000  -0.03313   3.12711
   D479       0.12495  -0.00042  -0.04086   0.00000  -0.04086   0.08408
   D480      -0.24807  -0.00008  -0.04485   0.00000  -0.04487  -0.29294
   D481       1.85788   0.00003  -0.04488   0.00000  -0.04488   1.81300
   D482      -2.34504   0.00001  -0.04121   0.00000  -0.04122  -2.38626
   D483       2.79255  -0.00006  -0.03747   0.00000  -0.03749   2.75506
   D484      -1.38469   0.00005  -0.03750   0.00000  -0.03750  -1.42219
   D485       0.69557   0.00003  -0.03383   0.00000  -0.03384   0.66174
   D486      -0.10985  -0.00009   0.01781   0.00000   0.01781  -0.09204
   D487       1.98427  -0.00005   0.01768   0.00000   0.01767   2.00195
   D488      -2.21479   0.00000   0.01836   0.00000   0.01836  -2.19643
   D489       3.13235  -0.00010   0.01070   0.00000   0.01071  -3.14013
   D490      -1.05671  -0.00006   0.01057   0.00000   0.01057  -1.04614
   D491       1.02741  -0.00001   0.01126   0.00000   0.01126   1.03867
         Item               Value     Threshold  Converged?
 Maximum Force            0.002179     0.000450     NO 
 RMS     Force            0.000158     0.000300     YES
 Maximum Displacement     0.116797     0.001800     NO 
 RMS     Displacement     0.017433     0.001200     NO 
 Predicted change in Energy=-5.019693D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:14:56 2016, MaxMem=  2952790016 cpu:         7.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.789877   -0.582809    1.646499
      2          6           0       -2.060680    1.133719   -1.375561
      3          8           0       -2.598906    0.156787   -1.924887
      4          7           0       -0.768920    1.189177   -0.950928
      5          1           0       -2.619867    2.064896   -1.154335
      6          6           0       -0.250314    2.348261   -0.222217
      7          1           0       -1.013183    3.138769   -0.196594
      8          1           0        0.009372    2.058206    0.808555
      9          1           0        0.654418    2.729630   -0.722526
     10          6           0        0.153336    0.065322   -1.135631
     11          1           0        0.723500   -0.089548   -0.206501
     12          1           0       -0.419926   -0.841613   -1.368530
     13          1           0        0.860300    0.277406   -1.954537
     14          6           0       -2.066084   -3.950667    2.694507
     15          8           0       -2.218579   -3.758091    3.912840
     16          7           0       -2.974837   -3.650715    1.726590
     17          1           0       -1.131923   -4.378415    2.279114
     18          6           0       -4.268997   -3.042157    2.048138
     19          1           0       -4.494003   -2.265724    1.299876
     20          1           0       -5.070893   -3.798818    2.023851
     21          1           0       -4.219989   -2.590116    3.046723
     22          6           0       -2.691738   -3.879248    0.308754
     23          1           0       -3.396512   -4.617879   -0.107177
     24          1           0       -2.805623   -2.933947   -0.247387
     25          1           0       -1.663073   -4.247624    0.191082
     26          6           0        1.604105    0.358653    2.575674
     27          8           0        1.464017    1.383304    3.264351
     28          7           0        1.207960   -0.893692    2.932395
     29          1           0        2.067800    0.384303    1.569746
     30          6           0        1.482851   -2.057252    2.087505
     31          1           0        2.242027   -2.703645    2.559244
     32          1           0        0.560494   -2.645909    1.955167
     33          1           0        1.843760   -1.721461    1.105522
     34          6           0        0.573619   -1.150134    4.227733
     35          1           0        1.322049   -1.463630    4.975455
     36          1           0        0.072732   -0.236886    4.573753
     37          1           0       -0.166441   -1.954563    4.109444
     38          6           0       -4.605814    1.013343    2.884742
     39          8           0       -4.847319    1.574735    1.802556
     40          7           0       -3.549909    1.291712    3.698798
     41          1           0       -5.238127    0.191222    3.275854
     42          6           0       -2.572517    2.332438    3.366257
     43          1           0       -2.656048    2.589009    2.302315
     44          1           0       -2.747171    3.234086    3.976270
     45          1           0       -1.560338    1.953750    3.576623
     46          6           0       -3.263503    0.487820    4.887640
     47          1           0       -4.059517   -0.254986    5.034226
     48          1           0       -2.299083   -0.033204    4.758966
     49          1           0       -3.197858    1.136314    5.775946
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.486065   0.000000
     3  O    3.735817   1.243318   0.000000
     4  N    3.305892   1.360895   2.315875   0.000000
     5  H    3.942575   1.108477   2.057928   2.057732   0.000000
     6  C    3.801779   2.466321   3.635591   1.464051   2.562014
     7  H    4.224972   2.550969   3.793907   2.104660   2.156827
     8  H    3.303696   3.148040   4.229682   2.111097   3.281140
     9  H    4.749643   3.216387   4.318485   2.109752   3.368868
    10  C    3.454909   2.470001   2.864633   1.465511   3.418962
    11  H    3.161325   3.258027   3.748587   2.101577   4.088779
    12  H    3.321769   2.567890   2.460547   2.102450   3.651495
    13  H    4.553116   3.098485   3.461435   2.119650   3.993370
    14  C    3.537948   6.512792   6.204343   6.433493   7.162908
    15  O    3.924602   7.205686   7.039174   7.087540   7.729455
    16  N    3.289771   5.774931   5.288826   5.954807   6.410455
    17  H    3.903809   6.678537   6.355605   6.446939   7.451094
    18  C    3.515074   5.834065   5.367250   6.256926   6.249596
    19  H    3.203849   4.963389   4.456349   5.556861   5.318817
    20  H    4.609791   6.704275   6.111469   7.227474   7.105740
    21  H    3.448964   6.171398   5.906800   6.494163   6.471354
    22  C    3.670072   5.325879   4.613821   5.565336   6.121980
    23  H    4.683850   6.039381   5.170849   6.429468   6.808759
    24  H    3.185341   4.286446   3.522694   4.652235   5.083846
    25  H    3.945274   5.618835   4.975132   5.626945   6.524838
    26  C    3.642640   5.444597   6.161257   4.331043   5.887798
    27  O    4.131691   5.832201   6.703721   4.774125   6.055366
    28  N    3.276767   5.775197   6.260106   4.829762   6.332998
    29  H    3.977797   5.126481   5.834584   3.879252   5.676199
    30  C    3.616520   5.893363   6.136937   4.984160   6.658372
    31  H    4.646213   6.980068   7.191949   6.044930   7.756782
    32  H    3.142595   5.678899   5.735132   4.992056   6.478842
    33  H    3.846102   5.436219   5.696356   4.418925   6.274345
    34  C    3.545524   6.599426   7.044692   5.838949   7.035725
    35  H    4.641322   7.650130   8.100269   6.821404   8.097131
    36  H    3.486802   6.467174   7.037396   5.767507   6.734930
    37  H    3.253206   6.573500   6.840163   5.987775   7.062770
    38  C    3.465609   4.964109   5.281467   5.428171   4.622109
    39  O    3.745304   4.249739   4.578184   4.935957   3.734301
    40  N    3.289905   5.290736   5.815350   5.418890   5.001569
    41  H    3.891574   5.711403   5.832184   6.231806   5.476542
    42  C    3.474011   4.917697   5.721045   4.816440   4.528750
    43  H    3.352727   3.999888   4.877315   4.013026   3.496346
    44  H    4.573066   5.790070   6.656982   5.689676   5.263680
    45  H    3.195653   5.044494   5.879992   4.659360   4.849425
    46  C    3.717905   6.410278   6.852868   6.387780   6.277492
    47  H    4.090896   6.856327   7.122653   6.981097   6.764077
    48  H    3.201375   6.249077   6.693271   6.036431   6.282679
    49  H    4.689363   7.241356   7.785952   7.152159   7.016063
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098876   0.000000
     8  H    1.101844   1.795427   0.000000
     9  H    1.101949   1.795799   1.791955   0.000000
    10  C    2.491801   3.418865   2.787862   2.742313   0.000000
    11  H    2.625162   3.665815   2.480558   2.866848   1.101070
    12  H    3.393833   4.191519   3.651431   3.784879   1.097907
    13  H    2.919390   3.845478   3.395586   2.752025   1.102445
    14  C    7.175012   7.728335   6.631055   7.981454   5.976951
    15  O    7.632844   8.118319   6.959143   8.475332   6.762509
    16  N    6.870850   7.324194   6.506925   7.738117   5.637969
    17  H    7.230634   7.915257   6.700387   7.919922   5.749710
    18  C    7.096544   7.337779   6.771611   8.076517   6.272945
    19  H    6.450932   6.600309   6.262440   7.453181   5.741361
    20  H    8.128307   8.338195   7.847979   9.107272   7.225404
    21  H    7.129647   7.322762   6.671117   8.140441   6.608283
    22  C    6.710019   7.233636   6.542106   7.479142   5.073492
    23  H    7.644534   8.115038   7.550412   8.412763   5.965862
    24  H    5.867876   6.331928   5.827590   6.653852   4.305814
    25  H    6.758136   7.425056   6.553002   7.408611   4.864258
    26  C    3.902000   4.718550   2.924785   4.171518   3.995567
    27  O    4.003278   4.603946   2.932989   4.285234   4.776485
    28  N    4.752726   5.566399   3.828971   5.176226   4.310543
    29  H    3.527310   4.494385   2.760161   3.571094   3.329563
    30  C    5.267563   6.200478   4.554542   5.612202   4.081854
    31  H    6.282520   7.233592   5.543004   6.543011   5.067733
    32  H    5.508190   6.369384   4.873106   6.006271   4.131536
    33  H    4.765572   5.786144   4.211775   4.956662   3.327595
    34  C    5.720113   6.362964   4.722564   6.290005   5.515401
    35  H    6.634655   7.306537   5.611552   7.106064   6.406946
    36  H    5.457900   5.943944   4.410009   6.098290   5.717945
    37  H    6.106113   6.723167   5.198952   6.779632   5.629654
    38  C    5.514125   5.188358   5.167420   6.605154   6.301718
    39  O    5.082371   4.598195   4.980886   6.162705   5.993148
    40  N    5.232397   5.002067   4.648602   6.268340   6.212066
    41  H    6.462785   6.212574   6.091752   7.559937   6.967418
    42  C    4.274344   3.971851   3.644612   5.223889   5.730365
    43  H    3.495537   3.040689   3.101215   4.486494   5.106967
    44  H    4.964501   4.519800   4.360693   5.822712   6.677241
    45  H    4.037696   3.992595   3.183882   4.897940   5.358002
    46  C    6.217008   6.159619   5.460473   7.200680   6.937802
    47  H    6.994077   6.939683   6.305793   8.016815   7.477825
    48  H    5.889059   6.022668   5.030776   6.811987   6.385166
    49  H    6.792260   6.667374   5.984245   7.720676   7.755477
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795365   0.000000
    13  H    1.791368   1.798495   0.000000
    14  C    5.577263   5.374414   6.932094   0.000000
    15  O    6.251640   6.295544   7.758276   1.242850   0.000000
    16  N    5.486022   4.898816   6.609773   1.361126   2.315846
    17  H    5.292944   5.130421   6.600714   1.108231   2.057834
    18  C    6.223047   5.597443   7.304149   2.469010   2.862497
    19  H    5.850405   5.074110   6.762194   3.267846   3.772571
    20  H    7.232436   6.471848   8.223273   3.082485   3.421349
    21  H    6.424515   6.082122   7.684050   2.571860   2.473856
    22  C    5.127490   4.147486   5.917536   2.467460   3.637030
    23  H    6.122919   4.971043   6.745147   3.172482   4.276365
    24  H    4.532878   3.365469   5.163927   3.199277   4.281509
    25  H    4.810758   3.946988   5.607761   2.552986   3.794695
    26  C    2.952431   4.592829   4.591585   5.661682   5.774817
    27  O    3.842457   5.473855   5.368825   6.421650   6.357358
    28  N    3.276282   4.598988   5.037306   4.485650   4.572442
    29  H    2.277440   4.040435   3.726936   6.094756   6.404887
    30  C    3.116237   4.128258   4.709172   4.067974   4.463775
    31  H    4.097411   5.097114   5.583015   4.487001   4.779234
    32  H    3.351770   3.906876   4.890955   3.024554   3.576685
    33  H    2.374768   3.466892   3.785052   4.772956   5.341488
    34  C    4.561770   5.692142   6.351419   4.142680   3.833662
    35  H    5.394352   6.608141   7.160252   4.782000   4.350833
    36  H    4.826597   5.993258   6.595705   4.679559   4.252740
    37  H    4.785149   5.595633   6.542763   3.097599   2.739095
    38  C    6.258892   6.249228   7.337481   5.579230   5.433457
    39  O    6.151436   5.957880   6.955266   6.249872   6.308930
    40  N    5.951577   6.326586   7.241475   5.540115   5.226736
    41  H    6.909893   6.771419   8.034626   5.249292   5.012035
    42  C    5.430869   6.093148   6.657194   6.339174   6.125240
    43  H    4.989005   5.499502   5.985733   6.577935   6.562838
    44  H    6.370846   7.112966   7.545215   7.329902   7.012415
    45  H    4.868574   5.793888   6.266047   5.991331   5.759466
    46  C    6.494599   6.999500   7.991584   5.093507   4.479940
    47  H    7.097171   7.388237   8.563343   4.806882   4.113186
    48  H    5.813350   6.459951   7.426257   4.434275   3.820628
    49  H    7.257373   7.916606   8.773069   6.054218   5.327791
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056978   0.000000
    18  C    1.465806   3.417626   0.000000
    19  H    2.099559   4.089737   1.101531   0.000000
    20  H    2.122204   3.989558   1.102797   1.790899   0.000000
    21  H    2.101910   3.650121   1.097230   1.797717   1.797571
    22  C    1.463773   2.562129   2.492774   2.614180   2.934008
    23  H    2.115637   3.298498   2.808827   2.952442   2.831200
    24  H    2.106887   3.357226   2.724446   2.385617   3.322344
    25  H    2.105899   2.158495   3.419452   3.629258   3.895344
    26  C    6.145134   5.478468   6.807138   6.760321   7.883189
    27  O    6.885454   6.395859   7.343796   7.257587   8.431979
    28  N    5.152760   4.247956   5.949360   6.087691   6.977765
    29  H    6.460198   5.781429   7.219729   7.081860   8.286474
    30  C    4.747669   3.501651   5.835696   6.032131   6.781494
    31  H    5.367114   3.777150   6.539821   6.866722   7.413828
    32  H    3.682451   2.443521   4.846612   5.110958   5.748603
    33  H    5.227487   4.158295   6.324442   6.364058   7.278129
    34  C    5.010005   4.138573   5.637492   5.957993   6.613103
    35  H    5.813922   4.667784   6.505439   6.926738   7.418543
    36  H    5.389642   4.885573   5.753163   5.974071   6.756200
    37  H    4.054875   3.187055   4.718349   5.168973   5.639559
    38  C    5.074923   6.442496   4.154568   3.643705   4.910634
    39  O    5.551332   7.033581   4.659448   3.889299   5.382753
    40  N    5.352373   6.325543   4.692994   4.393347   5.570667
    41  H    4.720506   6.223823   3.591829   3.239567   4.185199
    42  C    6.216790   6.949297   5.788070   5.394917   6.755459
    43  H    6.274332   7.132215   5.863126   5.286908   6.834716
    44  H    7.246611   7.964894   6.739798   6.361008   7.659854
    45  H    6.069057   6.477915   5.884912   5.620848   6.915716
    46  C    5.215653   5.918469   4.640531   4.687023   5.462893
    47  H    4.862917   5.758829   4.090101   4.263474   4.758569
    48  H    4.768472   5.137391   4.503659   4.665525   5.416976
    49  H    6.273967   6.848953   5.701185   5.769667   6.476264
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.390263   0.000000
    23  H    3.838883   1.102398   0.000000
    24  H    3.601362   1.102659   1.790093   0.000000
    25  H    4.176103   1.098954   1.797459   1.795390   0.000000
    26  C    6.545013   6.446161   7.547829   6.185191   6.130131
    27  O    6.938542   7.328049   8.426515   7.014328   7.136597
    28  N    5.688019   5.568185   6.656556   5.512033   5.196777
    29  H    7.110902   6.513154   7.595565   6.169523   6.105315
    30  C    5.807446   4.889868   5.931410   4.960980   4.276796
    31  H    6.481371   5.548764   6.524355   5.780051   4.820981
    32  H    4.903838   3.848222   4.878507   4.032984   3.259100
    33  H    6.425876   5.085432   6.109036   4.991718   4.417643
    34  C    5.142666   5.785241   6.824854   5.884553   5.558037
    35  H    5.975213   6.612397   7.618875   6.817447   6.289022
    36  H    5.128057   6.252944   7.289709   6.229162   6.189252
    37  H    4.238462   4.952452   5.941928   5.187143   4.780334
    38  C    3.627674   5.851226   6.490351   5.350889   6.602523
    39  O    4.391751   6.051768   6.640812   5.357145   6.829065
    40  N    3.992844   6.242410   7.030807   5.829454   6.822644
    41  H    2.970681   5.644156   6.161485   5.300658   6.480754
    42  C    5.200750   6.924419   7.813489   6.391210   7.362475
    43  H    5.461080   6.768597   7.634997   6.084932   7.223770
    44  H    6.079028   8.003328   8.874094   7.475783   8.454519
    45  H    5.291622   6.781069   7.754239   6.329563   7.066079
    46  C    3.711810   6.353298   7.143812   6.187620   6.858823
    47  H    3.070627   6.110333   6.775576   6.053471   6.718641
    48  H    3.627597   5.894965   6.775171   5.808137   6.247512
    49  H    4.730718   7.436545   8.231727   7.280207   7.907784
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242503   0.000000
    28  N    1.361083   2.315269   0.000000
    29  H    1.107954   2.057729   2.056553   0.000000
    30  C    2.467713   3.636310   1.463993   2.563480   0.000000
    31  H    3.128080   4.219672   2.117656   3.247290   1.103046
    32  H    3.240609   4.331845   2.108187   3.406275   1.102167
    33  H    2.558447   3.800568   2.104022   2.167934   1.098773
    34  C    2.463258   2.852933   1.464941   3.413499   2.496026
    35  H    3.026421   3.324616   2.124132   3.945866   2.952711
    36  H    2.586908   2.505039   2.100998   3.659267   3.388746
    37  H    3.292150   3.809715   2.097586   4.112444   2.611311
    38  C    6.251978   6.092932   6.118744   6.830961   6.865565
    39  O    6.610404   6.481238   6.635968   7.020698   7.303668
    40  N    5.356853   5.033546   5.291567   6.075765   6.256237
    41  H    6.880002   6.807343   6.545765   7.504975   7.186052
    42  C    4.686685   4.147872   4.988803   5.343709   6.111513
    43  H    4.816443   4.399338   5.239921   5.264231   6.226104
    44  H    5.400314   4.654709   5.811307   6.090695   7.032693
    45  H    3.682382   3.093484   4.023236   4.433296   5.250391
    46  C    5.390314   5.078032   5.072036   6.280282   6.070093
    47  H    6.204648   6.027096   5.707185   7.067909   6.530633
    48  H    4.489454   4.289672   4.046746   5.423570   5.053365
    49  H    5.822830   5.301150   5.622983   6.781210   6.761102
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787678   0.000000
    33  H    1.799059   1.795348   0.000000
    34  C    2.825038   2.720675   3.418754   0.000000
    35  H    2.867415   3.331649   3.913444   1.103411   0.000000
    36  H    3.853438   3.591420   4.167629   1.097561   1.796402
    37  H    2.960567   2.376405   3.621987   1.099448   1.790696
    38  C    7.798389   6.398826   7.227847   5.771549   6.756185
    39  O    8.314802   6.861601   7.491415   6.533985   7.573642
    40  N    7.127972   5.953195   6.700444   4.821397   5.740883
    41  H    8.052731   6.589198   7.649955   6.040008   6.975893
    42  C    7.013789   6.049039   6.406911   4.771647   5.671622
    43  H    7.215909   6.153944   6.345135   5.302752   6.276529
    44  H    7.883952   7.042716   7.339978   5.505657   6.294875
    45  H    6.097899   5.318262   5.585821   3.822540   4.684375
    46  C    6.776263   5.748270   6.728259   4.223965   4.984291
    47  H    7.199370   6.044967   7.241129   4.787240   5.515934
    48  H    5.708915   4.781704   5.775899   3.127644   3.899434
    49  H    7.394918   6.559632   7.442960   4.674275   5.275420
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795327   0.000000
    38  C    5.128803   5.478722   0.000000
    39  O    5.930295   6.299864   1.242824   0.000000
    40  N    4.028112   4.706888   1.362025   2.314974   0.000000
    41  H    5.483889   5.569674   1.108455   2.058505   2.059136
    42  C    3.880311   4.971911   2.471065   2.862516   1.465943
    43  H    4.537769   5.487067   2.573622   2.465802   2.105263
    44  H    4.511816   5.796549   3.094783   3.448057   2.119951
    45  H    2.908620   4.183510   3.261592   3.754358   2.100384
    46  C    3.428438   4.020276   2.467706   3.634226   1.463427
    47  H    4.157866   4.347393   2.554874   3.796340   2.106026
    48  H    2.387739   2.943070   3.151029   4.221295   2.108062
    49  H    3.745358   4.638991   3.218155   4.324438   2.112495
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420300   0.000000
    43  H    3.655720   1.097624   0.000000
    44  H    3.994304   1.102538   1.796261   0.000000
    45  H    4.089388   1.100983   1.796662   1.790963   0.000000
    46  C    2.566118   2.488913   3.386429   2.939247   2.601632
    47  H    2.163353   3.418780   4.185854   3.874939   3.639920
    48  H    3.299692   2.758743   3.610894   3.389480   2.427275
    49  H    3.362493   2.761950   3.803945   2.800464   2.861240
                   46         47         48         49
    46  C    0.000000
    47  H    1.098584   0.000000
    48  H    1.103689   1.795574   0.000000
    49  H    1.101790   1.796753   1.791597   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2161379      0.1960119      0.1840022
 Leave Link  202 at Mon Nov 14 05:14:56 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.1862182835 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1852535494 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.0009647341 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4045
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.70D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     232
 GePol: Fraction of low-weight points (<1% of avg)   =       5.74%
 GePol: Cavity surface area                          =    468.499 Ang**2
 GePol: Cavity volume                                =    458.687 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040458621 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1850.9969188720 Hartrees.
 Leave Link  301 at Mon Nov 14 05:14:56 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37519.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:14:58 2016, MaxMem=  2952790016 cpu:        14.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:14:58 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Lowest energy guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000029    0.000728   -0.001128
         Rot=    1.000000    0.000023    0.000008   -0.000024 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 B after Tr=     0.000227   -0.010560    0.016134
         Rot=    1.000000   -0.000338   -0.000119    0.000337 Ang=  -0.06 deg.
 Guess basis will be translated and rotated to current coordinates.
 CkInt1:  FT= 6.50D-02
 Max alpha theta=  0.885 degrees.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:14:59 2016, MaxMem=  2952790016 cpu:        11.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49086075.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.03D-14 for   3107.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.34D-15 for   1803    976.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.04D-14 for   3963.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.01D-11 for   1797   1378.
 E= -1013.45144669003    
 DIIS: error= 1.96D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45144669003     IErMin= 1 ErrMin= 1.96D-06
 ErrMax= 1.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.02D-09 BMatP= 7.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=    15.714 Goal=   None    Shift=    0.000
 RMSDP=1.20D-06 MaxDP=7.40D-05              OVMax= 1.89D-05

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.19D-06    CP:  1.00D+00
 E= -1013.45144669347     Delta-E=       -0.000000003443 Rises=F Damp=F
 DIIS: error= 1.69D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45144669347     IErMin= 2 ErrMin= 1.69D-06
 ErrMax= 1.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-09 BMatP= 7.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.316D+00 0.684D+00
 Coeff:      0.316D+00 0.684D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.18D-07 MaxDP=1.89D-05 DE=-3.44D-09 OVMax= 2.92D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.04D-07    CP:  1.00D+00  9.28D-01
 E= -1013.45144668994     Delta-E=        0.000000003530 Rises=F Damp=F
 DIIS: error= 2.96D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45144669347     IErMin= 2 ErrMin= 1.69D-06
 ErrMax= 2.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.80D-09 BMatP= 2.67D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-01 0.607D+00 0.373D+00
 Coeff:      0.194D-01 0.607D+00 0.373D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.13D-07 MaxDP=1.25D-05 DE= 3.53D-09 OVMax= 2.24D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.06D-08    CP:  1.00D+00  9.61D-01  3.83D-01
 E= -1013.45144669556     Delta-E=       -0.000000005614 Rises=F Damp=F
 DIIS: error= 5.70D-07 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45144669556     IErMin= 4 ErrMin= 5.70D-07
 ErrMax= 5.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-10 BMatP= 2.67D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-02 0.382D+00 0.253D+00 0.363D+00
 Coeff:      0.143D-02 0.382D+00 0.253D+00 0.363D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.60D-08 MaxDP=1.49D-06 DE=-5.61D-09 OVMax= 3.89D-06

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.38D-08    CP:  1.00D+00  9.60D-01  4.21D-01  7.31D-01
 E= -1013.45144669565     Delta-E=       -0.000000000087 Rises=F Damp=F
 DIIS: error= 7.96D-08 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45144669565     IErMin= 5 ErrMin= 7.96D-08
 ErrMax= 7.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.28D-12 BMatP= 1.90D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.416D-03 0.158D+00 0.107D+00 0.193D+00 0.542D+00
 Coeff:     -0.416D-03 0.158D+00 0.107D+00 0.193D+00 0.542D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.25D-09 MaxDP=6.12D-07 DE=-8.73D-11 OVMax= 3.94D-07

 Error on total polarization charges =  0.04309
 SCF Done:  E(RB97D) =  -1013.45144670     A.U. after    5 cycles
            NFock=  5  Conv=0.93D-08     -V/T= 2.0213
 KE= 9.923470539318D+02 PE=-6.033510439981D+03 EE= 2.176715020481D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:16:09 2016, MaxMem=  2952790016 cpu:       781.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37519.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 05:16:17 2016, MaxMem=  2952790016 cpu:        96.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:16:17 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:16:54 2016, MaxMem=  2952790016 cpu:       442.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21346223D+00-2.54337302D+00 3.32748666D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000202553   -0.000161748   -0.000206382
      2        6          -0.000038377    0.000033408   -0.000139663
      3        8           0.000031510   -0.000021235    0.000073447
      4        7           0.000241432    0.000170047    0.000110659
      5        1           0.000007278   -0.000008914    0.000046122
      6        6          -0.000301164   -0.000204021   -0.000233382
      7        1           0.000061018    0.000060531   -0.000027917
      8        1           0.000080020   -0.000042633    0.000077849
      9        1           0.000071680    0.000053043    0.000065183
     10        6          -0.000217360    0.000296343    0.000134180
     11        1           0.000055900   -0.000064481    0.000014591
     12        1           0.000075707   -0.000009676   -0.000039843
     13        1           0.000045576    0.000016349    0.000010862
     14        6          -0.000173921    0.000026974   -0.000211182
     15        8          -0.000029610   -0.000019882   -0.000045598
     16        7          -0.000013106    0.000093744    0.000033177
     17        1          -0.000010966   -0.000034788   -0.000016833
     18        6           0.000170012   -0.000000325   -0.000194410
     19        1           0.000016473   -0.000077115    0.000035388
     20        1          -0.000013881   -0.000003136   -0.000000604
     21        1          -0.000054064    0.000012337    0.000048742
     22        6          -0.000117198   -0.000036187    0.000357632
     23        1          -0.000012470    0.000077122   -0.000145675
     24        1          -0.000060695    0.000077084   -0.000037738
     25        1          -0.000015549    0.000014406   -0.000010482
     26        6           0.000027421   -0.000059589   -0.000066072
     27        8          -0.000066072   -0.000071005    0.000007150
     28        7          -0.000100699   -0.000218338    0.000040888
     29        1           0.000110009    0.000052664    0.000067343
     30        6           0.000042333    0.000101202    0.000092081
     31        1          -0.000012142   -0.000018963   -0.000003233
     32        1           0.000028357    0.000069895   -0.000089678
     33        1          -0.000038421   -0.000019592   -0.000023279
     34        6          -0.000066583    0.000128922    0.000055865
     35        1           0.000004052   -0.000013375    0.000022835
     36        1          -0.000029284   -0.000034073   -0.000020596
     37        1           0.000011822   -0.000050155    0.000018608
     38        6           0.000562987    0.000010350    0.000598896
     39        8          -0.000109544    0.000097658   -0.000259938
     40        7          -0.000418448   -0.000143843   -0.000182852
     41        1           0.000010697   -0.000009337   -0.000043485
     42        6          -0.000120294    0.000033356    0.000135013
     43        1           0.000006755   -0.000099700   -0.000028548
     44        1           0.000158150   -0.000071492    0.000063781
     45        1          -0.000096360    0.000023760   -0.000017353
     46        6           0.000130264   -0.000081778   -0.000219673
     47        1          -0.000045995    0.000033460    0.000075510
     48        1           0.000025456    0.000093271    0.000031950
     49        1          -0.000015258   -0.000000544    0.000046665
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000598896 RMS     0.000125841
 Leave Link  716 at Mon Nov 14 05:16:54 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000332467 RMS     0.000028455
 Search for a local minimum.
 Step number 117 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .28455D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  103  104  105  106  108
                                                    107  110  111  112  113
                                                    114  115  116  117
 ITU=  0 -1  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0
 ITU=  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0
 ITU=  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00015   0.00063   0.00088   0.00092
     Eigenvalues ---    0.00106   0.00141   0.00177   0.00203   0.00220
     Eigenvalues ---    0.00246   0.00288   0.00337   0.00437   0.00453
     Eigenvalues ---    0.00555   0.00658   0.00745   0.00782   0.00844
     Eigenvalues ---    0.00846   0.00915   0.00983   0.01046   0.01086
     Eigenvalues ---    0.01173   0.01219   0.01282   0.01336   0.01458
     Eigenvalues ---    0.01549   0.01580   0.01691   0.01747   0.01778
     Eigenvalues ---    0.01794   0.01825   0.01896   0.01960   0.02066
     Eigenvalues ---    0.02137   0.02271   0.02294   0.02420   0.02484
     Eigenvalues ---    0.02523   0.02654   0.03047   0.03132   0.03256
     Eigenvalues ---    0.03634   0.04331   0.04465   0.04709   0.05467
     Eigenvalues ---    0.05558   0.05917   0.06048   0.06236   0.06281
     Eigenvalues ---    0.06552   0.06758   0.06928   0.07148   0.07329
     Eigenvalues ---    0.07547   0.07665   0.07912   0.08126   0.08157
     Eigenvalues ---    0.08392   0.08533   0.08870   0.08946   0.09075
     Eigenvalues ---    0.09311   0.09484   0.09528   0.09572   0.09831
     Eigenvalues ---    0.09954   0.10148   0.10459   0.10610   0.10898
     Eigenvalues ---    0.10914   0.11187   0.11285   0.11513   0.12930
     Eigenvalues ---    0.13295   0.14039   0.14440   0.14834   0.15091
     Eigenvalues ---    0.15309   0.15466   0.20860   0.22200   0.22756
     Eigenvalues ---    0.23029   0.24641   0.24914   0.25546   0.25921
     Eigenvalues ---    0.26998   0.27594   0.28147   0.28640   0.29399
     Eigenvalues ---    0.29828   0.30929   0.32782   0.32807   0.32853
     Eigenvalues ---    0.32962   0.33243   0.33302   0.33362   0.33371
     Eigenvalues ---    0.33392   0.33423   0.33460   0.33510   0.33720
     Eigenvalues ---    0.33808   0.33825   0.33839   0.33951   0.33961
     Eigenvalues ---    0.34067   0.34238   0.34264   0.35884   0.37034
     Eigenvalues ---    0.39665   0.41010   0.86142   0.86275   0.86838
     Eigenvalues ---    0.89651
 Eigenvalue     1 is   1.23D-05 Eigenvector:
                         D391      D389      D407      D405      D403
   1                   -0.22733  -0.22694  -0.22544  -0.22386  -0.22283
                         D393      D401      D395      D383      D397
   1                   -0.21371  -0.21367  -0.21338  -0.21304  -0.21276
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   117  116
 RFO step:  Lambda=-2.47458519D-06.
 NNeg= 0 NP= 2 Switch=  2.50D-03 Rises=F DC=  1.86D-04 SmlDif=  1.00D-05
 RMS Error=  0.2040594023D-03 NUsed= 2 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.00009   -0.00009
 Maximum step size (   0.160) exceeded in Quadratic search.
    -- Step size scaled by   0.800
 Iteration  1 RMS(Cart)=  0.01278582 RMS(Int)=  0.00015534
 Iteration  2 RMS(Cart)=  0.00011761 RMS(Int)=  0.00008467
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00008467
 ITry= 1 IFail=0 DXMaxC= 1.12D-01 DCOld= 1.00D+10 DXMaxT= 1.60D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58771   0.00001   0.00000   0.00688   0.00690   6.59461
    R2        6.24723   0.00003   0.00000  -0.00070  -0.00064   6.24659
    R3        7.18432   0.00000   0.00001  -0.02467  -0.02468   7.15964
    R4        6.24308   0.00000   0.00001  -0.04779  -0.04780   6.19528
    R5        6.52883  -0.00003   0.00000   0.00456   0.00459   6.53343
    R6        5.97404   0.00002   0.00000  -0.00171  -0.00169   5.97235
    R7        6.68575  -0.00002   0.00000  -0.00539  -0.00532   6.68044
    R8        6.21677  -0.00001   0.00000  -0.00957  -0.00944   6.20733
    R9        6.64253  -0.00004   0.00000  -0.01793  -0.01793   6.62459
   R10        6.05440  -0.00001   0.00000   0.00032   0.00033   6.05473
   R11        6.93543  -0.00005   0.00000  -0.00951  -0.00946   6.92597
   R12        6.01942  -0.00002   0.00000  -0.00701  -0.00703   6.01240
   R13        6.88359  -0.00001   0.00000  -0.00856  -0.00857   6.87502
   R14        6.19219  -0.00002   0.00000   0.00147   0.00141   6.19360
   R15        6.83423   0.00003   0.00000   0.00075   0.00071   6.83494
   R16        5.93864   0.00000   0.00000  -0.00089  -0.00088   5.93777
   R17        6.70007  -0.00006   0.00000   0.00120   0.00117   6.70124
   R18        6.54905  -0.00007   0.00000  -0.02195  -0.02195   6.52711
   R19        6.21702  -0.00001   0.00000   0.00351   0.00344   6.22046
   R20        6.56493  -0.00002   0.00000   0.00626   0.00622   6.57115
   R21        6.03891  -0.00002   0.00001   0.00986   0.00990   6.04881
   R22        7.02582  -0.00005   0.00000   0.01241   0.01235   7.03817
   R23        6.04972   0.00000   0.00000   0.01035   0.01038   6.06010
   R24        2.34953   0.00000   0.00000  -0.00001  -0.00001   2.34952
   R25        2.57172   0.00005   0.00000  -0.00016  -0.00019   2.57153
   R26        2.09472  -0.00002   0.00000   0.00014   0.00014   2.09486
   R27        2.76666  -0.00016   0.00000  -0.00174  -0.00189   2.76477
   R28        2.76941  -0.00012   0.00000  -0.00053  -0.00060   2.76882
   R29        2.07657   0.00000   0.00000   0.00009   0.00009   2.07666
   R30        2.08218   0.00008   0.00000   0.00034   0.00036   2.08254
   R31        2.08238   0.00004   0.00000  -0.00003  -0.00003   2.08235
   R32        2.08072   0.00001   0.00000  -0.00018  -0.00020   2.08052
   R33        2.07474  -0.00001   0.00000  -0.00006  -0.00006   2.07469
   R34        2.08332   0.00002   0.00000   0.00008   0.00008   2.08340
   R35        2.34865  -0.00002   0.00000  -0.00013  -0.00013   2.34851
   R36        2.57216  -0.00011   0.00000  -0.00166  -0.00219   2.56997
   R37        2.09425   0.00001   0.00000   0.00020   0.00020   2.09445
   R38        2.76997  -0.00011   0.00000   0.00061   0.00066   2.77063
   R39        2.76613  -0.00010   0.00000  -0.00150  -0.00177   2.76436
   R40        2.08159  -0.00006   0.00000  -0.00083  -0.00074   2.08085
   R41        2.08399   0.00001   0.00000   0.00005   0.00005   2.08403
   R42        2.07347   0.00006   0.00000   0.00031   0.00031   2.07378
   R43        2.08323   0.00001   0.00000   0.00005   0.00005   2.08328
   R44        2.08372   0.00005   0.00000  -0.00033  -0.00025   2.08348
   R45        2.07672  -0.00001   0.00000  -0.00017  -0.00017   2.07655
   R46        2.34799  -0.00004   0.00000   0.00014   0.00014   2.34813
   R47        2.57207   0.00004   0.00000  -0.00030  -0.00021   2.57187
   R48        2.09373   0.00000   0.00000  -0.00012  -0.00012   2.09361
   R49        2.76655  -0.00007   0.00000  -0.00059  -0.00044   2.76611
   R50        2.76834   0.00001   0.00000   0.00024   0.00031   2.76864
   R51        2.08446   0.00000   0.00000   0.00006   0.00006   2.08452
   R52        2.08279   0.00001   0.00000   0.00089   0.00093   2.08372
   R53        2.07638   0.00000   0.00000   0.00001   0.00001   2.07639
   R54        2.08514   0.00002   0.00000   0.00009   0.00009   2.08523
   R55        2.07409  -0.00001   0.00000  -0.00015  -0.00015   2.07394
   R56        2.07766   0.00001   0.00000  -0.00007  -0.00007   2.07759
   R57        2.34860   0.00029   0.00000   0.00105   0.00105   2.34965
   R58        2.57385  -0.00033   0.00000  -0.00218  -0.00197   2.57188
   R59        2.09468  -0.00001   0.00000  -0.00025  -0.00025   2.09443
   R60        2.77023   0.00002   0.00000  -0.00114  -0.00107   2.76916
   R61        2.76548  -0.00004   0.00000   0.00011   0.00012   2.76560
   R62        2.07421   0.00002   0.00000   0.00014   0.00014   2.07435
   R63        2.08349  -0.00005   0.00000  -0.00006  -0.00006   2.08344
   R64        2.08056  -0.00006   0.00000  -0.00021  -0.00020   2.08035
   R65        2.07602   0.00001   0.00000   0.00005   0.00005   2.07607
   R66        2.08567  -0.00003   0.00000  -0.00023  -0.00023   2.08544
   R67        2.08208   0.00004   0.00000  -0.00018  -0.00018   2.08190
    A1        0.68522  -0.00001   0.00000   0.00116   0.00111   0.68633
    A2        0.96283   0.00001   0.00000   0.00079   0.00070   0.96353
    A3        0.72761  -0.00002   0.00000  -0.00094  -0.00095   0.72666
    A4        1.02020   0.00000   0.00000  -0.00070  -0.00073   1.01947
    A5        2.37381  -0.00002   0.00000   0.00996   0.00985   2.38366
    A6        2.04015   0.00000   0.00000   0.00748   0.00747   2.04762
    A7        1.97010   0.00000   0.00000   0.00195   0.00194   1.97204
    A8        1.67025   0.00001   0.00000  -0.00136  -0.00129   1.66896
    A9        1.67820   0.00000   0.00000   0.00924   0.00931   1.68751
   A10        1.39311  -0.00001   0.00000   0.00830   0.00837   1.40148
   A11        1.73782   0.00001   0.00000  -0.00114  -0.00118   1.73663
   A12        2.04652   0.00001   0.00000  -0.00026  -0.00030   2.04622
   A13        1.95709   0.00000   0.00000   0.00103   0.00100   1.95809
   A14        2.05613  -0.00002   0.00000   0.00226   0.00223   2.05836
   A15        2.43672   0.00001   0.00000  -0.00082  -0.00084   2.43589
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   A17        1.79125   0.00001   0.00000   0.01021   0.01026   1.80151
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   A19        1.70957   0.00001   0.00000  -0.00005  -0.00002   1.70955
   A20        2.19339   0.00001   0.00000   0.00897   0.00897   2.20237
   A21        2.41273   0.00000   0.00000   0.00738   0.00738   2.42011
   A22        0.65019  -0.00001   0.00000   0.00272   0.00265   0.65284
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   A24        2.44509   0.00001   0.00000   0.01520   0.01511   2.46020
   A25        2.25264   0.00002   0.00000   0.01197   0.01192   2.26457
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   A59        1.99318  -0.00001   0.00000   0.00027   0.00032   1.99350
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   A239       2.03414   0.00002   0.00000   0.00089   0.00092   2.03506
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   A242       1.91264   0.00003   0.00000   0.00062   0.00050   1.91313
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   A246       1.90880  -0.00004   0.00000  -0.00122  -0.00126   1.90753
   A247       1.89899  -0.00002   0.00000  -0.00097  -0.00110   1.89790
   A248       1.28927   0.00003   0.00000   0.00500   0.00498   1.29425
   A249       1.90433   0.00009   0.00000   0.00068   0.00066   1.90499
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   A254       1.91365  -0.00003   0.00000  -0.00022  -0.00022   1.91343
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   A256       1.76255   0.00002   0.00000   0.00245   0.00248   1.76503
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   A270       2.68246  -0.00002   0.00000   0.00252   0.00248   2.68493
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   A299       1.90955   0.00000   0.00000  -0.00045  -0.00045   1.90910
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   D118       2.32756   0.00000   0.00000  -0.00286  -0.00274   2.32482
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   D350       1.88259   0.00003   0.00000   0.02183   0.02194   1.90454
   D351      -2.23127   0.00002   0.00000   0.01695   0.01707  -2.21421
   D352       2.33495   0.00003   0.00000   0.02684   0.02687   2.36182
   D353      -1.77891   0.00002   0.00000   0.02195   0.02199  -1.75692
   D354       2.64582  -0.00001   0.00000   0.04345   0.04317   2.68899
   D355      -1.46804  -0.00003   0.00000   0.03857   0.03829  -1.42975
   D356      -3.01267  -0.00005   0.00000   0.02868   0.02831  -2.98436
   D357      -0.84335  -0.00006   0.00000   0.02380   0.02343  -0.81991
   D358       2.63527   0.00000   0.00000   0.01750   0.01746   2.65273
   D359      -1.47859  -0.00001   0.00000   0.01261   0.01258  -1.46601
   D360       1.64482  -0.00001   0.00000   0.00424   0.00424   1.64906
   D361      -2.46905  -0.00002   0.00000  -0.00065  -0.00064  -2.46969
   D362       1.82013   0.00000   0.00000   0.00361   0.00357   1.82371
   D363      -2.29373  -0.00002   0.00000  -0.00127  -0.00131  -2.29503
   D364       2.75363   0.00001   0.00000   0.00161   0.00159   2.75522
   D365      -1.36023   0.00000   0.00000  -0.00328  -0.00329  -1.36352
   D366       2.75402  -0.00001   0.00000   0.00656   0.00655   2.76057
   D367      -1.35984  -0.00002   0.00000   0.00167   0.00167  -1.35817
   D368       0.06605   0.00001   0.00000   0.01548   0.01546   0.08150
   D369      -2.38400   0.00001   0.00000  -0.00930  -0.00932  -2.39332
   D370       0.46593   0.00002   0.00000   0.01508   0.01506   0.48098
   D371      -1.98412   0.00001   0.00000  -0.00970  -0.00972  -1.99384
   D372       0.68486   0.00000   0.00000   0.01626   0.01620   0.70106
   D373      -1.76519  -0.00001   0.00000  -0.00852  -0.00858  -1.77377
   D374       0.95592   0.00001   0.00000   0.01385   0.01371   0.96963
   D375      -1.49413   0.00001   0.00000  -0.01093  -0.01106  -1.50520
   D376       0.70333   0.00000   0.00000   0.01417   0.01416   0.71749
   D377      -1.74672   0.00000   0.00000  -0.01061  -0.01062  -1.75734
   D378       1.04662   0.00001   0.00000   0.01491   0.01491   1.06153
   D379      -1.40343   0.00001   0.00000  -0.00986  -0.00987  -1.41330
   D380      -2.69816   0.00003   0.00000   0.02376   0.02352  -2.67464
   D381       1.13498   0.00003   0.00000  -0.00101  -0.00125   1.13372
   D382      -2.17721   0.00001   0.00000   0.01382   0.01374  -2.16346
   D383       1.65593   0.00000   0.00000  -0.01096  -0.01103   1.64490
   D384      -1.93616   0.00000   0.00000   0.01492   0.01490  -1.92126
   D385       1.89698   0.00000   0.00000  -0.00985  -0.00988   1.88710
   D386      -1.60867  -0.00001   0.00000   0.01571   0.01566  -1.59302
   D387       2.22446  -0.00001   0.00000  -0.00906  -0.00912   2.21534
   D388      -1.72839  -0.00002   0.00000  -0.00696  -0.00656  -1.73495
   D389       2.10475  -0.00003   0.00000  -0.03174  -0.03133   2.07341
   D390      -1.16850  -0.00002   0.00000  -0.01304  -0.01292  -1.18141
   D391       2.66464  -0.00002   0.00000  -0.03782  -0.03769   2.62695
   D392       1.80559   0.00001   0.00000   0.01342   0.01340   1.81899
   D393      -0.64446   0.00001   0.00000  -0.01135  -0.01138  -0.65583
   D394       2.11457   0.00002   0.00000   0.01599   0.01600   2.13057
   D395      -0.33548   0.00002   0.00000  -0.00878  -0.00878  -0.34425
   D396       2.08147   0.00002   0.00000   0.02137   0.02146   2.10293
   D397      -0.36857   0.00002   0.00000  -0.00340  -0.00332  -0.37190
   D398       2.31530   0.00000   0.00000   0.02686   0.02696   2.34226
   D399      -0.13475   0.00000   0.00000   0.00208   0.00219  -0.13257
   D400       2.50637   0.00002   0.00000   0.01396   0.01393   2.52030
   D401       0.05632   0.00001   0.00000  -0.01082  -0.01084   0.04548
   D402      -1.53631  -0.00002   0.00000  -0.00023  -0.00025  -1.53656
   D403       2.29683  -0.00002   0.00000  -0.02501  -0.02503   2.27180
   D404      -2.63181   0.00000   0.00000  -0.00017  -0.00016  -2.63198
   D405       1.20132   0.00000   0.00000  -0.02495  -0.02494   1.17638
   D406      -2.98227  -0.00001   0.00000   0.00293   0.00295  -2.97932
   D407       0.85087  -0.00002   0.00000  -0.02184  -0.02182   0.82904
   D408       1.91830   0.00001   0.00000   0.01096   0.01098   1.92928
   D409       2.41719   0.00002   0.00000   0.01436   0.01438   2.43157
   D410       2.65393   0.00000   0.00000   0.01170   0.01166   2.66559
   D411       2.88629   0.00001   0.00000   0.00722   0.00709   2.89339
   D412       2.84760  -0.00001   0.00000   0.02327   0.02329   2.87088
   D413      -2.92789   0.00001   0.00000   0.01946   0.01941  -2.90849
   D414      -0.71776   0.00002   0.00000   0.01205   0.01217  -0.70560
   D415      -0.34092   0.00001   0.00000   0.01051   0.01059  -0.33033
   D416      -0.01724   0.00000   0.00000   0.01624   0.01633  -0.00091
   D417       0.28887  -0.00001   0.00000   0.01499   0.01495   0.30382
   D418      -0.22536   0.00001   0.00000   0.00286   0.00293  -0.22242
   D419       0.07247   0.00002   0.00000  -0.00253  -0.00247   0.07001
   D420      -2.53379   0.00001   0.00000   0.01007   0.01005  -2.52375
   D421      -2.15211   0.00002   0.00000   0.01032   0.01030  -2.14181
   D422      -1.89164   0.00000   0.00000   0.01287   0.01288  -1.87876
   D423      -1.57239  -0.00001   0.00000   0.01191   0.01194  -1.56045
   D424      -1.95346   0.00000   0.00000   0.00718   0.00715  -1.94631
   D425       1.30510   0.00001   0.00000  -0.00791  -0.00800   1.29710
   D426       2.47510   0.00000   0.00000  -0.00552  -0.00554   2.46956
   D427       2.95231  -0.00001   0.00000  -0.00545  -0.00549   2.94682
   D428      -3.05945   0.00006   0.00000   0.00026   0.00024  -3.05921
   D429       0.02415   0.00006   0.00000  -0.00466  -0.00468   0.01947
   D430       0.05409  -0.00002   0.00000  -0.00062  -0.00063   0.05346
   D431       3.13769  -0.00002   0.00000  -0.00554  -0.00554   3.13215
   D432      -0.10707  -0.00004   0.00000  -0.01934  -0.01933  -0.12639
   D433       1.99060   0.00002   0.00000  -0.01836  -0.01832   1.97228
   D434      -2.20405  -0.00001   0.00000  -0.01845  -0.01846  -2.22251
   D435       3.08962  -0.00003   0.00000  -0.01462  -0.01460   3.07503
   D436      -1.09590   0.00002   0.00000  -0.01363  -0.01359  -1.10949
   D437       0.99264   0.00000   0.00000  -0.01373  -0.01373   0.97891
   D438      -2.37165   0.00002   0.00000  -0.00002   0.00000  -2.37165
   D439      -0.28236   0.00005   0.00000  -0.00050  -0.00049  -0.28285
   D440       1.82541   0.00002   0.00000  -0.00019  -0.00017   1.82523
   D441       0.71473   0.00003   0.00000  -0.00474  -0.00472   0.71000
   D442       2.80402   0.00005   0.00000  -0.00522  -0.00521   2.79880
   D443      -1.37140   0.00002   0.00000  -0.00491  -0.00490  -1.37630
   D444       0.00458   0.00000   0.00000   0.00195   0.00197   0.00655
   D445       3.11083   0.00002   0.00000  -0.00026  -0.00021   3.11063
   D446      -3.11399  -0.00003   0.00000   0.00136   0.00137  -3.11262
   D447      -0.00773  -0.00001   0.00000  -0.00085  -0.00081  -0.00854
   D448       2.42031   0.00003   0.00000   0.01291   0.01292   2.43324
   D449      -1.77943   0.00002   0.00000   0.01327   0.01329  -1.76615
   D450       0.32858  -0.00001   0.00000   0.01299   0.01301   0.34159
   D451      -0.68764   0.00001   0.00000   0.01506   0.01505  -0.67259
   D452       1.39579   0.00000   0.00000   0.01542   0.01542   1.41121
   D453      -2.77938  -0.00003   0.00000   0.01515   0.01514  -2.76424
   D454       2.04643   0.00000   0.00000  -0.00452  -0.00456   2.04187
   D455      -2.15272   0.00000   0.00000  -0.00381  -0.00390  -2.15662
   D456      -0.05926   0.00000   0.00000  -0.00455  -0.00460  -0.06386
   D457      -1.12881   0.00002   0.00000  -0.00666  -0.00668  -1.13548
   D458       0.95523   0.00002   0.00000  -0.00596  -0.00602   0.94922
   D459       3.04869   0.00002   0.00000  -0.00670  -0.00672   3.04198
   D460      -3.07994  -0.00004   0.00000  -0.00583  -0.00584  -3.08578
   D461      -0.01812  -0.00004   0.00000  -0.00046  -0.00046  -0.01858
   D462       0.07662  -0.00007   0.00000  -0.00573  -0.00574   0.07088
   D463       3.13844  -0.00007   0.00000  -0.00037  -0.00036   3.13808
   D464       1.91351   0.00000   0.00000   0.00501   0.00502   1.91853
   D465      -2.28806   0.00003   0.00000   0.00424   0.00429  -2.28378
   D466      -0.19401  -0.00002   0.00000   0.00453   0.00455  -0.18947
   D467      -1.15162   0.00001   0.00000  -0.00012  -0.00012  -1.15174
   D468       0.92999   0.00003   0.00000  -0.00089  -0.00086   0.92913
   D469       3.02404  -0.00002   0.00000  -0.00060  -0.00060   3.02344
   D470      -1.64256   0.00001   0.00000  -0.00462  -0.00462  -1.64718
   D471       0.46326   0.00003   0.00000  -0.00515  -0.00513   0.45812
   D472       2.55310   0.00004   0.00000  -0.00506  -0.00505   2.54805
   D473       1.42292   0.00001   0.00000   0.00059   0.00060   1.42353
   D474      -2.75444   0.00003   0.00000   0.00006   0.00009  -2.75435
   D475      -0.66460   0.00003   0.00000   0.00015   0.00017  -0.66443
   D476       0.01397  -0.00002   0.00000   0.00288   0.00286   0.01683
   D477      -3.02906  -0.00001   0.00000   0.00958   0.00959  -3.01947
   D478       3.12711  -0.00002   0.00000  -0.00094  -0.00096   3.12615
   D479       0.08408  -0.00001   0.00000   0.00577   0.00576   0.08984
   D480      -0.29294  -0.00003   0.00000   0.01089   0.01092  -0.28202
   D481       1.81300   0.00006   0.00000   0.01063   0.01063   1.82363
   D482      -2.38626   0.00002   0.00000   0.01048   0.01056  -2.37570
   D483       2.75506  -0.00003   0.00000   0.00455   0.00455   2.75961
   D484      -1.42219   0.00006   0.00000   0.00428   0.00426  -1.41793
   D485       0.66174   0.00002   0.00000   0.00414   0.00420   0.66593
   D486      -0.09204  -0.00006   0.00000  -0.02173  -0.02173  -0.11377
   D487       2.00195   0.00001   0.00000  -0.02021  -0.02023   1.98172
   D488      -2.19643   0.00001   0.00000  -0.01975  -0.01977  -2.21620
   D489      -3.14013  -0.00005   0.00000  -0.01545  -0.01545   3.12761
   D490      -1.04614   0.00002   0.00000  -0.01393  -0.01395  -1.06009
   D491       1.03867   0.00001   0.00000  -0.01347  -0.01348   1.02518
         Item               Value     Threshold  Converged?
 Maximum Force            0.000332     0.000450     YES
 RMS     Force            0.000028     0.000300     YES
 Maximum Displacement     0.112078     0.001800     NO 
 RMS     Displacement     0.012811     0.001200     NO 
 Predicted change in Energy=-1.773145D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:16:55 2016, MaxMem=  2952790016 cpu:         8.7
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.782559   -0.579828    1.631790
      2          6           0       -2.044760    1.140451   -1.393110
      3          8           0       -2.575305    0.167015   -1.955929
      4          7           0       -0.756157    1.197369   -0.959493
      5          1           0       -2.609392    2.066755   -1.164998
      6          6           0       -0.248501    2.350559   -0.215879
      7          1           0       -1.007667    3.145011   -0.203833
      8          1           0       -0.011457    2.056693    0.819461
      9          1           0        0.668349    2.730323   -0.694862
     10          6           0        0.169721    0.077035   -1.144960
     11          1           0        0.734572   -0.082639   -0.213527
     12          1           0       -0.399459   -0.830169   -1.386519
     13          1           0        0.881555    0.295186   -1.958088
     14          6           0       -2.089318   -3.931094    2.714423
     15          8           0       -2.246712   -3.723929    3.929664
     16          7           0       -2.989135   -3.633087    1.739214
     17          1           0       -1.156939   -4.372888    2.309582
     18          6           0       -4.278187   -3.006346    2.047679
     19          1           0       -4.496763   -2.246055    1.281723
     20          1           0       -5.086511   -3.756544    2.042019
     21          1           0       -4.223940   -2.531704    3.035631
     22          6           0       -2.698933   -3.879841    0.326845
     23          1           0       -3.404567   -4.619887   -0.085161
     24          1           0       -2.804206   -2.940492   -0.240702
     25          1           0       -1.671451   -4.254570    0.220266
     26          6           0        1.606981    0.357292    2.563791
     27          8           0        1.460702    1.382600    3.250332
     28          7           0        1.213069   -0.894712    2.923744
     29          1           0        2.073991    0.382393    1.559454
     30          6           0        1.486371   -2.060763    2.082184
     31          1           0        2.243270   -2.706949    2.557929
     32          1           0        0.561926   -2.647314    1.950973
     33          1           0        1.849335   -1.729165    1.099526
     34          6           0        0.575762   -1.147313    4.218565
     35          1           0        1.322352   -1.460589    4.968284
     36          1           0        0.076299   -0.232455    4.562125
     37          1           0       -0.165807   -1.950323    4.100433
     38          6           0       -4.603546    0.964918    2.891103
     39          8           0       -4.852870    1.515426    1.804467
     40          7           0       -3.553825    1.265880    3.703369
     41          1           0       -5.221332    0.132934    3.284197
     42          6           0       -2.595107    2.321883    3.367154
     43          1           0       -2.690345    2.580035    2.304501
     44          1           0       -2.780606    3.218253    3.981674
     45          1           0       -1.575212    1.959903    3.568925
     46          6           0       -3.248743    0.467507    4.891365
     47          1           0       -4.039983   -0.277871    5.050402
     48          1           0       -2.283426   -0.049514    4.754591
     49          1           0       -3.176761    1.120750    5.775574
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.489717   0.000000
     3  O    3.749393   1.243311   0.000000
     4  N    3.305552   1.360794   2.315991   0.000000
     5  H    3.938283   1.108550   2.058093   2.057314   0.000000
     6  C    3.788718   2.465113   3.634510   1.463053   2.560308
     7  H    4.224263   2.551118   3.794179   2.104184   2.156849
     8  H    3.278403   3.141542   4.224570   2.111325   3.269165
     9  H    4.730471   3.221211   4.322284   2.109312   3.377119
    10  C    3.457341   2.469080   2.863727   1.465195   3.418019
    11  H    3.160433   3.257614   3.748811   2.101704   4.087455
    12  H    3.329537   2.567178   2.460267   2.102497   3.650348
    13  H    4.555258   3.097902   3.459237   2.119724   3.994266
    14  C    3.535135   6.526438   6.232405   6.447954   7.162023
    15  O    3.921866   7.213522   7.063117   7.095406   7.721342
    16  N    3.284776   5.787051   5.316588   5.966784   6.408342
    17  H    3.903601   6.700378   6.388824   6.471108   7.459981
    18  C    3.505584   5.832937   5.385063   6.254518   6.232377
    19  H    3.204023   4.963414   4.471834   5.556289   5.305557
    20  H    4.601729   6.710657   6.138734   7.232032   7.094496
    21  H    3.426504   6.152015   5.909040   6.472443   6.434117
    22  C    3.665066   5.346917   4.647944   5.586332   6.131526
    23  H    4.679840   6.061460   5.205946   6.451278   6.819789
    24  H    3.181622   4.308004   3.556824   4.672585   5.095566
    25  H    3.938080   5.643456   5.010309   5.652719   6.538948
    26  C    3.638104   5.441104   6.160811   4.324775   5.882510
    27  O    4.121837   5.823096   6.698669   4.761450   6.043912
    28  N    3.277512   5.778457   6.268194   4.830547   6.332401
    29  H    3.975434   5.124099   5.832689   3.875438   5.673957
    30  C    3.616895   5.898672   6.145451   4.989605   6.660020
    31  H    4.646469   6.985728   7.200920   6.050828   7.758656
    32  H    3.142130   5.685496   5.746873   4.998974   6.479890
    33  H    3.846418   5.441682   5.701644   4.426370   6.278321
    34  C    3.546142   6.602416   7.055570   5.838136   7.032651
    35  H    4.642026   7.653116   8.110830   6.820813   8.094313
    36  H    3.487533   6.469048   7.048093   5.764169   6.730470
    37  H    3.253666   6.577413   6.853344   5.988266   7.059233
    38  C    3.453995   4.993263   5.314521   5.448259   4.652166
    39  O    3.721118   4.272071   4.598488   4.952140   3.762297
    40  N    3.291727   5.316682   5.847449   5.438191   5.023380
    41  H    3.881191   5.743074   5.870395   6.251376   5.509739
    42  C    3.477305   4.935461   5.742740   4.833854   4.539350
    43  H    3.355794   4.020138   4.897670   4.038132   3.508195
    44  H    4.576405   5.809220   6.678872   5.709422   5.276693
    45  H    3.200894   5.051116   5.893950   4.664642   4.846749
    46  C    3.724439   6.434055   6.886890   6.401424   6.296499
    47  H    4.107803   6.892851   7.171602   7.005617   6.795222
    48  H    3.206866   6.266355   6.720354   6.044669   6.294948
    49  H    4.691132   7.257537   7.813290   7.157257   7.027686
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098923   0.000000
     8  H    1.102032   1.795550   0.000000
     9  H    1.101934   1.795022   1.791392   0.000000
    10  C    2.491389   3.418252   2.794785   2.736998   0.000000
    11  H    2.624289   3.667863   2.490054   2.854615   1.100963
    12  H    3.392671   4.191745   3.653884   3.780967   1.097877
    13  H    2.921794   3.842926   3.408102   2.751562   1.102486
    14  C    7.171781   7.730295   6.615285   7.975113   6.005264
    15  O    7.620878   8.111928   6.934358   8.458202   6.785152
    16  N    6.865674   7.324225   6.487381   7.732716   5.662317
    17  H    7.239334   7.928326   6.698665   7.925526   5.787547
    18  C    7.075203   7.321531   6.734083   8.055999   6.283635
    19  H    6.435791   6.591226   6.232600   7.439732   5.749922
    20  H    8.111791   8.325400   7.813101   9.093314   7.244386
    21  H    7.086108   7.284479   6.611340   8.095678   6.602054
    22  C    6.716923   7.245036   6.535108   7.488441   5.104140
    23  H    7.652774   8.127290   7.543756   8.425317   5.996647
    24  H    5.876008   6.345255   5.821963   6.665061   4.332134
    25  H    6.770727   7.441390   6.553371   7.422996   4.900669
    26  C    3.891335   4.718846   2.924038   4.138976   3.987367
    27  O    3.984086   4.596760   2.920752   4.243670   4.763374
    28  N    4.746073   5.570707   3.825999   5.150914   4.311290
    29  H    3.524125   4.498651   2.774881   3.545497   3.321648
    30  C    5.267888   6.208558   4.559760   5.597826   4.088791
    31  H    6.283416   7.241641   5.549626   6.528778   5.075584
    32  H    5.507338   6.376350   4.872040   5.994226   4.142548
    33  H    4.772353   5.798172   4.227731   4.949908   3.334844
    34  C    5.707785   6.363089   4.707908   6.259904   5.516457
    35  H    6.623291   7.306938   5.600273   7.075499   6.408167
    36  H    5.441211   5.941096   4.388102   6.063373   5.716234
    37  H    6.093847   6.722936   5.181195   6.752711   5.633552
    38  C    5.526279   5.221282   5.154703   6.615790   6.313654
    39  O    5.097005   4.634048   4.970160   6.181139   5.999543
    40  N    5.240439   5.027951   4.635805   6.270230   6.227716
    41  H    6.472823   6.244512   6.076065   7.567541   6.977392
    42  C    4.283165   3.993677   3.638175   5.226561   5.748286
    43  H    3.516756   3.072840   3.107358   4.505506   5.132618
    44  H    4.978343   4.546114   4.360849   5.831239   6.697318
    45  H    4.029580   3.995034   3.164530   4.879241   5.367560
    46  C    6.215407   6.176771   5.439296   7.188176   6.948064
    47  H    7.001263   6.965489   6.291269   8.014092   7.498671
    48  H    5.882758   6.034776   5.008313   6.792422   6.390512
    49  H    6.781198   6.675022   5.954679   7.696891   7.757711
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794641   0.000000
    13  H    1.791047   1.798364   0.000000
    14  C    5.599809   5.411939   6.965623   0.000000
    15  O    6.270014   6.328348   7.784919   1.242780   0.000000
    16  N    5.503169   4.932846   6.639549   1.359968   2.314632
    17  H    5.324484   5.175499   6.645253   1.108335   2.057527
    18  C    6.228071   5.619074   7.319100   2.467966   2.860714
    19  H    5.855169   5.090397   6.773521   3.269217   3.776034
    20  H    7.243623   6.502845   8.248344   3.076648   3.410092
    21  H    6.414187   6.089112   7.680796   2.572563   2.475910
    22  C    5.147786   4.186131   5.955809   2.464709   3.634436
    23  H    6.142928   5.008609   6.785030   3.168910   4.273429
    24  H    4.548737   3.398406   5.196524   3.197675   4.279781
    25  H    4.835508   3.990770   5.653614   2.549524   3.791061
    26  C    2.944169   4.587026   4.580119   5.663530   5.776930
    27  O    3.830472   5.464150   5.352151   6.412892   6.346892
    28  N    3.275804   4.602475   5.035677   4.491012   4.581094
    29  H    2.270190   4.033239   3.715187   6.105184   6.414690
    30  C    3.122253   4.135531   4.715941   4.084534   4.484998
    31  H    4.104161   5.105388   5.591197   4.504924   4.803732
    32  H    3.360420   3.919837   4.903185   3.043032   3.600384
    33  H    2.382824   3.470690   3.792572   4.792637   5.363428
    34  C    4.560942   5.698122   6.350225   4.136971   3.832593
    35  H    5.394015   6.614044   7.159028   4.777319   4.351971
    36  H    4.823134   5.997497   6.590905   4.667315   4.241081
    37  H    4.786353   5.604995   6.545606   3.089397   2.739526
    38  C    6.263515   6.260570   7.351839   5.506678   5.349632
    39  O    6.151880   5.959621   6.966308   6.174935   6.225702
    40  N    5.962460   6.344321   7.257200   5.489202   5.163133
    41  H    6.910379   6.781859   8.046932   5.162411   4.913286
    42  C    5.448832   6.111768   6.674795   6.307266   6.081910
    43  H    5.016010   5.522796   6.012377   6.551647   6.525176
    44  H    6.391564   7.132817   7.565483   7.293626   6.962876
    45  H    4.879962   5.807178   6.273346   5.974808   5.734717
    46  C    6.498415   7.015284   8.000255   5.042920   4.415549
    47  H    7.109391   7.415685   8.583057   4.754780   4.043165
    48  H    5.813055   6.470856   7.429400   4.389377   3.766055
    49  H    7.253689   7.925596   8.772743   6.006189   5.267190
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056591   0.000000
    18  C    1.466155   3.417341   0.000000
    19  H    2.099070   4.090762   1.101139   0.000000
    20  H    2.122715   3.986603   1.102822   1.790929   0.000000
    21  H    2.102019   3.650150   1.097396   1.797837   1.797644
    22  C    1.462837   2.559705   2.493654   2.610219   2.942372
    23  H    2.115349   3.293575   2.813491   2.948956   2.845908
    24  H    2.105695   3.356962   2.722801   2.380078   3.329515
    25  H    2.104694   2.154986   3.419441   3.625357   3.902492
    26  C    6.142259   5.484385   6.798209   6.758462   7.873927
    27  O    6.873256   6.392393   7.324211   7.248030   8.410518
    28  N    5.153671   4.253450   5.948141   6.092991   6.975115
    29  H    6.464645   5.797784   7.216099   7.082420   8.284712
    30  C    4.756048   3.519193   5.841699   6.039285   6.788230
    31  H    5.376439   3.794529   6.548236   6.875257   7.422500
    32  H    3.691426   2.461850   4.854375   5.118519   5.757041
    33  H    5.238789   4.182247   6.330617   6.369720   7.287285
    34  C    5.003473   4.129261   5.632901   5.963454   6.603542
    35  H    5.808232   4.658011   6.502718   6.933238   7.409990
    36  H    5.378662   4.872167   5.742687   5.977333   6.739788
    37  H    4.047003   3.171484   4.716000   5.175882   5.631414
    38  C    5.007477   6.380395   4.072857   3.593307   4.821452
    39  O    5.475852   6.970458   4.564629   3.814290   5.282488
    40  N    5.308169   6.283582   4.638742   4.368888   5.507626
    41  H    4.642477   6.145860   3.503367   3.192881   4.085244
    42  C    6.186042   6.928690   5.741411   5.369485   6.701518
    43  H    6.245935   7.120007   5.813334   5.253605   6.779582
    44  H    7.212002   7.940882   6.687954   6.331950   7.597845
    45  H    6.052153   6.470327   5.855245   5.608639   6.880293
    46  C    5.178642   5.871173   4.605862   4.685135   5.416528
    47  H    4.829671   5.709045   4.064193   4.276135   4.716646
    48  H    4.736298   5.092995   4.477644   4.667382   5.381208
    49  H    6.239100   6.802414   5.669503   5.768230   6.432307
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388310   0.000000
    23  H    3.843335   1.102422   0.000000
    24  H    3.594038   1.102528   1.790249   0.000000
    25  H    4.172499   1.098863   1.797340   1.795112   0.000000
    26  C    6.524460   6.441904   7.543531   6.180545   6.124500
    27  O    6.905289   7.317283   8.415830   7.004704   7.125263
    28  N    5.679201   5.564049   6.652292   5.507942   5.188246
    29  H    7.094716   6.516653   7.598826   6.170813   6.109271
    30  C    5.808485   4.889482   5.930242   4.957698   4.272163
    31  H    6.487196   5.547863   6.522524   5.776148   4.815064
    32  H    4.908601   3.845792   4.875444   4.027436   3.250630
    33  H    6.424737   5.090107   6.112548   4.991890   4.421166
    34  C    5.133518   5.773718   6.813504   5.875775   5.539983
    35  H    5.970242   6.600490   7.606723   6.808240   6.269997
    36  H    5.109675   6.240427   7.277585   6.220765   6.171206
    37  H    4.235593   4.937584   5.927507   5.175619   4.757333
    38  C    3.520136   5.802988   6.440943   5.319592   6.555426
    39  O    4.276749   5.994307   6.581059   5.313657   6.776723
    40  N    3.913639   6.213711   7.001249   5.814739   6.793431
    41  H    2.856024   5.586662   6.102665   5.264348   6.421800
    42  C    5.130332   6.907651   7.794990   6.383803   7.348863
    43  H    5.386682   6.755827   7.619676   6.080069   7.217618
    44  H    6.003351   7.984196   8.852396   7.467206   8.439284
    45  H    5.241631   6.773215   7.745484   6.327524   7.059919
    46  C    3.659239   6.327447   7.118404   6.176584   6.826788
    47  H    3.028680   6.089712   6.755062   6.050824   6.689865
    48  H    3.589106   5.869326   6.750441   5.794990   6.214267
    49  H    4.684474   7.410997   8.207011   7.268292   7.875372
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242575   0.000000
    28  N    1.360973   2.313900   0.000000
    29  H    1.107890   2.058059   2.057540   0.000000
    30  C    2.468498   3.636204   1.463760   2.566623   0.000000
    31  H    3.129611   4.220929   2.116444   3.251098   1.103079
    32  H    3.239651   4.328549   2.107577   3.408629   1.102659
    33  H    2.560490   3.802641   2.104499   2.172713   1.098779
    34  C    2.462829   2.849746   1.465103   3.414024   2.495541
    35  H    3.027754   3.324789   2.124218   3.947362   2.952404
    36  H    2.585369   2.499155   2.101219   3.658530   3.388381
    37  H    3.290765   3.804809   2.097667   4.112764   2.610598
    38  C    6.248760   6.089221   6.106742   6.833896   6.848080
    39  O    6.606628   6.478376   6.622474   7.023190   7.283697
    40  N    5.362658   5.036303   5.291432   6.086808   6.252869
    41  H    6.869875   6.797969   6.525909   7.500580   7.158940
    42  C    4.707713   4.164791   5.004528   5.369346   6.125129
    43  H    4.845083   4.422628   5.262506   5.299398   6.247511
    44  H    5.426456   4.679015   5.829678   6.121794   7.048629
    45  H    3.702028   3.106695   4.042226   4.454570   5.267774
    46  C    5.385890   5.070430   5.063096   6.280157   6.058462
    47  H    6.202811   6.021208   5.700677   7.071304   6.521473
    48  H    4.483343   4.281616   4.036315   5.420565   5.039668
    49  H    5.812281   5.286915   5.609423   6.774307   6.745959
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.788538   0.000000
    33  H    1.799495   1.795934   0.000000
    34  C    2.823253   2.718854   3.418909   0.000000
    35  H    2.865539   3.330275   3.913711   1.103457   0.000000
    36  H    3.851712   3.589636   4.168140   1.097480   1.796087
    37  H    2.958962   2.373936   3.621484   1.099411   1.790984
    38  C    7.776407   6.372925   7.218553   5.748819   6.731570
    39  O    8.291644   6.831536   7.479563   6.510614   7.549819
    40  N    7.120513   5.943348   6.704061   4.810657   5.728067
    41  H    8.019519   6.553879   7.631155   6.009857   6.942281
    42  C    7.025232   6.055191   6.426989   4.776467   5.676019
    43  H    7.235812   6.166638   6.374156   5.312647   6.286821
    44  H    7.897747   7.049904   7.363428   5.511760   6.300733
    45  H    6.114116   5.330251   5.606663   3.834516   4.696152
    46  C    6.759017   5.733168   6.722634   4.205609   4.961691
    47  H    7.182764   6.033099   7.238766   4.770009   5.491830
    48  H    5.690190   4.764962   5.767186   3.109252   3.877942
    49  H    7.374365   6.542451   7.432972   4.652937   5.249481
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795228   0.000000
    38  C    5.111455   5.445607   0.000000
    39  O    5.912400   6.265096   1.243382   0.000000
    40  N    4.019984   4.688314   1.360981   2.314221   0.000000
    41  H    5.461822   5.528520   1.108323   2.058312   2.059089
    42  C    3.884457   4.968997   2.470183   2.861793   1.465375
    43  H    4.545468   5.488424   2.571584   2.461695   2.104622
    44  H    4.517324   5.793570   3.096768   3.454581   2.118274
    45  H    2.918966   4.190320   3.258872   3.748855   2.101108
    46  C    3.413832   3.996995   2.466568   3.633221   1.463492
    47  H    4.145389   4.325364   2.554349   3.796418   2.105709
    48  H    2.374618   2.919813   3.143981   4.213586   2.109323
    49  H    3.726395   4.615564   3.221828   4.328371   2.111226
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419859   0.000000
    43  H    3.654312   1.097699   0.000000
    44  H    3.995348   1.102508   1.796769   0.000000
    45  H    4.088163   1.100876   1.796345   1.790750   0.000000
    46  C    2.566327   2.487804   3.386214   2.934841   2.603229
    47  H    2.164215   3.417558   4.186779   3.866664   3.643830
    48  H    3.290385   2.765076   3.617050   3.394539   2.438263
    49  H    3.370906   2.753457   3.796638   2.788286   2.852795
                   46         47         48         49
    46  C    0.000000
    47  H    1.098609   0.000000
    48  H    1.103565   1.795868   0.000000
    49  H    1.101695   1.796432   1.791640   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2171949      0.1961080      0.1840313
 Leave Link  202 at Mon Nov 14 05:16:55 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1852.4560975857 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1857086463 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1852.2703889394 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4054
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.28D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     242
 GePol: Fraction of low-weight points (<1% of avg)   =       5.97%
 GePol: Cavity surface area                          =    468.163 Ang**2
 GePol: Cavity volume                                =    458.519 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040473927 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1852.2663415467 Hartrees.
 Leave Link  301 at Mon Nov 14 05:16:55 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11996 LenP2D=   37527.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:16:57 2016, MaxMem=  2952790016 cpu:        14.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:16:57 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.004229   -0.000440   -0.007130
         Rot=    1.000000    0.000173    0.000278   -0.000095 Ang=   0.04 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50887106043    
 Leave Link  401 at Mon Nov 14 05:17:04 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49304748.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.99D-15 for   2360.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.55D-15 for   3890   2589.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   2498.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.55D-08 for   1815   1796.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.21D-15 for   1925.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.12D-14 for   2317    112.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2911.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.50D-16 for   2072    476.
 E= -1013.45025075058    
 DIIS: error= 6.86D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45025075058     IErMin= 1 ErrMin= 6.86D-04
 ErrMax= 6.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.71D-04 BMatP= 7.71D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.86D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.62D-04 MaxDP=9.41D-03              OVMax= 5.85D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.62D-04    CP:  1.00D+00
 E= -1013.45142257823     Delta-E=       -0.001171827651 Rises=F Damp=F
 DIIS: error= 9.60D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45142257823     IErMin= 2 ErrMin= 9.60D-05
 ErrMax= 9.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-05 BMatP= 7.71D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.244D-01 0.976D+00
 Coeff:      0.244D-01 0.976D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.02D-05 MaxDP=2.00D-03 DE=-1.17D-03 OVMax= 2.27D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.90D-05    CP:  1.00D+00  9.50D-01
 E= -1013.45137921362     Delta-E=        0.000043364603 Rises=F Damp=F
 DIIS: error= 3.02D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45142257823     IErMin= 2 ErrMin= 9.60D-05
 ErrMax= 3.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-05 BMatP= 1.47D-05
 IDIUse=3 WtCom= 3.65D-01 WtEn= 6.35D-01
 Coeff-Com:  0.252D-02 0.695D+00 0.303D+00
 Coeff-En:   0.000D+00 0.775D+00 0.225D+00
 Coeff:      0.919D-03 0.746D+00 0.254D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.93D-05 MaxDP=1.38D-03 DE= 4.34D-05 OVMax= 2.16D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.47D-06    CP:  1.00D+00  9.64D-01  4.10D-01
 E= -1013.45143433859     Delta-E=       -0.000055124971 Rises=F Damp=F
 DIIS: error= 3.49D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45143433859     IErMin= 4 ErrMin= 3.49D-05
 ErrMax= 3.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-06 BMatP= 1.47D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.289D-04 0.287D+00 0.911D-01 0.622D+00
 Coeff:      0.289D-04 0.287D+00 0.911D-01 0.622D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=4.41D-06 MaxDP=1.97D-04 DE=-5.51D-05 OVMax= 3.40D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.82D-06    CP:  1.00D+00  9.71D-01  3.60D-01  6.62D-01
 E= -1013.45143490295     Delta-E=       -0.000000564351 Rises=F Damp=F
 DIIS: error= 3.74D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45143490295     IErMin= 4 ErrMin= 3.49D-05
 ErrMax= 3.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-07 BMatP= 1.03D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.778D-05 0.149D+00 0.415D-01 0.431D+00 0.378D+00
 Coeff:     -0.778D-05 0.149D+00 0.415D-01 0.431D+00 0.378D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.54D-06 MaxDP=1.08D-04 DE=-5.64D-07 OVMax= 1.77D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.33D-07    CP:  1.00D+00  9.72D-01  3.52D-01  6.87D-01  5.56D-01
 E= -1013.45143528931     Delta-E=       -0.000000386363 Rises=F Damp=F
 DIIS: error= 1.64D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45143528931     IErMin= 6 ErrMin= 1.64D-06
 ErrMax= 1.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-09 BMatP= 4.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.187D-04 0.377D-01 0.107D-01 0.118D+00 0.128D+00 0.705D+00
 Coeff:     -0.187D-04 0.377D-01 0.107D-01 0.118D+00 0.128D+00 0.705D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.02D-07 MaxDP=1.10D-05 DE=-3.86D-07 OVMax= 8.51D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.69D-07    CP:  1.00D+00  9.72D-01  3.53D-01  6.94D-01  5.64D-01
                    CP:  9.01D-01
 E= -1013.45143529072     Delta-E=       -0.000000001410 Rises=F Damp=F
 DIIS: error= 5.99D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45143529072     IErMin= 7 ErrMin= 5.99D-07
 ErrMax= 5.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.14D-10 BMatP= 2.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-04 0.105D-01 0.316D-02 0.355D-01 0.451D-01 0.388D+00
 Coeff-Com:  0.518D+00
 Coeff:     -0.119D-04 0.105D-01 0.316D-02 0.355D-01 0.451D-01 0.388D+00
 Coeff:      0.518D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=7.87D-08 MaxDP=4.00D-06 DE=-1.41D-09 OVMax= 5.87D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.06D-08    CP:  1.00D+00  9.72D-01  3.53D-01  6.93D-01  5.65D-01
                    CP:  9.11D-01  7.24D-01
 E= -1013.45143529119     Delta-E=       -0.000000000476 Rises=F Damp=F
 DIIS: error= 4.22D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45143529119     IErMin= 8 ErrMin= 4.22D-07
 ErrMax= 4.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-10 BMatP= 5.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.752D-05 0.406D-02 0.127D-02 0.142D-01 0.197D-01 0.200D+00
 Coeff-Com:  0.351D+00 0.409D+00
 Coeff:     -0.752D-05 0.406D-02 0.127D-02 0.142D-01 0.197D-01 0.200D+00
 Coeff:      0.351D+00 0.409D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.73D-08 MaxDP=2.53D-06 DE=-4.76D-10 OVMax= 3.37D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.52D-08    CP:  1.00D+00  9.72D-01  3.53D-01  6.93D-01  5.65D-01
                    CP:  9.12D-01  7.53D-01  5.55D-01
 E= -1013.45143529122     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 2.18D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45143529122     IErMin= 9 ErrMin= 2.18D-07
 ErrMax= 2.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-11 BMatP= 1.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.280D-05 0.554D-03 0.209D-03 0.237D-02 0.424D-02 0.636D-01
 Coeff-Com:  0.154D+00 0.333D+00 0.442D+00
 Coeff:     -0.280D-05 0.554D-03 0.209D-03 0.237D-02 0.424D-02 0.636D-01
 Coeff:      0.154D+00 0.333D+00 0.442D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=8.62D-07 DE=-2.23D-11 OVMax= 1.15D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.53D-09    CP:  1.00D+00  9.72D-01  3.53D-01  6.93D-01  5.66D-01
                    CP:  9.14D-01  7.38D-01  6.31D-01  5.96D-01
 E= -1013.45143529127     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 1.16D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45143529127     IErMin=10 ErrMin= 1.16D-08
 ErrMax= 1.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-13 BMatP= 2.83D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.734D-06 0.415D-04 0.264D-04 0.322D-03 0.849D-03 0.167D-01
 Coeff-Com:  0.462D-01 0.113D+00 0.176D+00 0.647D+00
 Coeff:     -0.734D-06 0.415D-04 0.264D-04 0.322D-03 0.849D-03 0.167D-01
 Coeff:      0.462D-01 0.113D+00 0.176D+00 0.647D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.38D-09 MaxDP=8.52D-08 DE=-5.14D-11 OVMax= 9.43D-08

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45143529     A.U. after   10 cycles
            NFock= 10  Conv=0.24D-08     -V/T= 2.0213
 KE= 9.923582624131D+02 PE=-6.036049306757D+03 EE= 2.177973267505D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:19:05 2016, MaxMem=  2952790016 cpu:      1395.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11996 LenP2D=   37527.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     370
 Leave Link  701 at Mon Nov 14 05:19:14 2016, MaxMem=  2952790016 cpu:        97.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:19:14 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:19:51 2016, MaxMem=  2952790016 cpu:       442.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.18713656D+00-2.53520226D+00 3.33487237D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000457504    0.000174333   -0.000266299
      2        6          -0.000230361   -0.000019243   -0.000123975
      3        8           0.000010617    0.000001342    0.000209753
      4        7           0.000093610   -0.000193201   -0.000174091
      5        1          -0.000010505    0.000006335   -0.000052308
      6        6           0.000011802    0.000207182    0.000178303
      7        1          -0.000028143   -0.000031299    0.000053493
      8        1           0.000077247    0.000047938   -0.000016108
      9        1           0.000017417   -0.000008013    0.000000894
     10        6           0.000000207    0.000103287    0.000054193
     11        1           0.000081654   -0.000077364    0.000045631
     12        1           0.000022970    0.000009476   -0.000071482
     13        1           0.000017951    0.000037762    0.000024453
     14        6           0.000453689   -0.000205678    0.000434236
     15        8          -0.000016526   -0.000088353    0.000082319
     16        7          -0.000484759    0.000222409   -0.000080904
     17        1          -0.000007990    0.000025785   -0.000023069
     18        6           0.000103017   -0.000166259   -0.000017647
     19        1          -0.000035512   -0.000051496    0.000004945
     20        1           0.000006645    0.000019782   -0.000027004
     21        1          -0.000062868   -0.000031188   -0.000014296
     22        6          -0.000118100   -0.000194766   -0.000120332
     23        1          -0.000026736    0.000119911   -0.000190161
     24        1          -0.000075515    0.000131826   -0.000201639
     25        1          -0.000016659   -0.000025781   -0.000116633
     26        6          -0.000077013   -0.000001877    0.000310453
     27        8           0.000202477    0.000188874   -0.000118546
     28        7          -0.000178979   -0.000177449    0.000003034
     29        1           0.000076393   -0.000025255    0.000052923
     30        6          -0.000137589   -0.000041629    0.000207458
     31        1          -0.000052077   -0.000117452   -0.000151184
     32        1           0.000173104    0.000034722   -0.000126065
     33        1          -0.000056324    0.000068377   -0.000014953
     34        6          -0.000060277    0.000120892   -0.000022424
     35        1          -0.000012357   -0.000048509   -0.000026398
     36        1          -0.000017014   -0.000030270   -0.000046060
     37        1           0.000009394   -0.000053593   -0.000008933
     38        6          -0.000025249    0.000125293   -0.000415831
     39        8          -0.000180301    0.000056574    0.000193786
     40        7           0.000071504   -0.000379459    0.000468696
     41        1          -0.000036478    0.000156860    0.000108378
     42        6          -0.000129848    0.000420768   -0.000094023
     43        1           0.000037118   -0.000044739    0.000022544
     44        1           0.000237298   -0.000007844   -0.000005055
     45        1          -0.000006216   -0.000170278   -0.000006428
     46        6          -0.000268198   -0.000066995   -0.000072552
     47        1           0.000013363   -0.000032235    0.000111460
     48        1           0.000162511    0.000044931   -0.000044154
     49        1           0.000014098   -0.000034434    0.000081601
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000484759 RMS     0.000146694
 Leave Link  716 at Mon Nov 14 05:19:51 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000399749 RMS     0.000041593
 Search for a local minimum.
 Step number 118 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .41593D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    116  117  118
 DE=  1.14D-05 DEPred=-1.77D-05 R=-6.43D-01
 Trust test=-6.43D-01 RLast= 3.31D-01 DXMaxT set to 8.01D-02
 ITU= -1  0 -1  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1
 ITU=  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0
 ITU=  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00034   0.00057   0.00082   0.00101
     Eigenvalues ---    0.00117   0.00150   0.00178   0.00203   0.00217
     Eigenvalues ---    0.00236   0.00290   0.00337   0.00445   0.00463
     Eigenvalues ---    0.00564   0.00664   0.00740   0.00775   0.00845
     Eigenvalues ---    0.00846   0.00918   0.00992   0.01044   0.01086
     Eigenvalues ---    0.01165   0.01220   0.01285   0.01340   0.01457
     Eigenvalues ---    0.01533   0.01587   0.01703   0.01746   0.01777
     Eigenvalues ---    0.01791   0.01831   0.01902   0.01962   0.02067
     Eigenvalues ---    0.02152   0.02258   0.02310   0.02425   0.02481
     Eigenvalues ---    0.02537   0.02674   0.03053   0.03099   0.03266
     Eigenvalues ---    0.03622   0.04230   0.04432   0.04693   0.05456
     Eigenvalues ---    0.05561   0.05913   0.06029   0.06229   0.06282
     Eigenvalues ---    0.06543   0.06758   0.06922   0.07128   0.07325
     Eigenvalues ---    0.07603   0.07668   0.07927   0.08126   0.08147
     Eigenvalues ---    0.08389   0.08536   0.08876   0.08962   0.09088
     Eigenvalues ---    0.09261   0.09480   0.09518   0.09611   0.09871
     Eigenvalues ---    0.09969   0.10166   0.10456   0.10602   0.10887
     Eigenvalues ---    0.10908   0.11193   0.11274   0.11480   0.12965
     Eigenvalues ---    0.13276   0.14101   0.14432   0.14804   0.15086
     Eigenvalues ---    0.15262   0.15441   0.21017   0.22151   0.22670
     Eigenvalues ---    0.23120   0.24566   0.24902   0.25397   0.25959
     Eigenvalues ---    0.27020   0.27532   0.28150   0.28645   0.29386
     Eigenvalues ---    0.29834   0.31013   0.32780   0.32807   0.32857
     Eigenvalues ---    0.32973   0.33216   0.33303   0.33363   0.33370
     Eigenvalues ---    0.33392   0.33423   0.33457   0.33510   0.33718
     Eigenvalues ---    0.33808   0.33826   0.33840   0.33934   0.33952
     Eigenvalues ---    0.34066   0.34224   0.34273   0.35882   0.36997
     Eigenvalues ---    0.39680   0.41055   0.86133   0.86273   0.86836
     Eigenvalues ---    0.89629
 Eigenvalue     1 is   1.41D-05 Eigenvector:
                         D407      D399      D397      D389      D405
   1                   -0.22523  -0.22275  -0.22199  -0.22164  -0.22084
                         D391      D395      D401      D403      D393
   1                   -0.22074  -0.21998  -0.21949  -0.21944  -0.21907
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   118  117  116
 RFO step:  Lambda=-5.72916053D-06.
 NNeg= 0 NP= 3 Switch=  2.50D-03 Rises=F DC=  1.86D-04 SmlDif=  1.00D-05
 RMS Error=  0.2475477963D-03 NUsed= 3 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.31628    0.67330    0.01043
 Iteration  1 RMS(Cart)=  0.00941336 RMS(Int)=  0.00009382
 Iteration  2 RMS(Cart)=  0.00006242 RMS(Int)=  0.00002984
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002984
 ITry= 1 IFail=0 DXMaxC= 7.97D-02 DCOld= 1.00D+10 DXMaxT= 8.01D-02 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59461  -0.00005  -0.00478   0.00282  -0.00197   6.59264
    R2        6.24659  -0.00002   0.00010  -0.00050  -0.00040   6.24619
    R3        7.15964   0.00002   0.01597  -0.00034   0.01566   7.17530
    R4        6.19528   0.00006   0.03147  -0.00109   0.03037   6.22565
    R5        6.53343   0.00003  -0.00328   0.00009  -0.00319   6.53024
    R6        5.97235   0.00005   0.00096  -0.00810  -0.00714   5.96521
    R7        6.68044   0.00025   0.00385   0.00483   0.00867   6.68911
    R8        6.20733   0.00007   0.00635  -0.00111   0.00521   6.21254
    R9        6.62459   0.00009   0.01202  -0.00335   0.00867   6.63326
   R10        6.05473   0.00005  -0.00027  -0.00055  -0.00083   6.05389
   R11        6.92597   0.00010   0.00636   0.00044   0.00680   6.93277
   R12        6.01240   0.00007   0.00478  -0.00035   0.00442   6.01682
   R13        6.87502   0.00016   0.00596   0.00171   0.00767   6.88269
   R14        6.19360  -0.00004  -0.00104   0.00005  -0.00097   6.19263
   R15        6.83494  -0.00009  -0.00069   0.00273   0.00202   6.83696
   R16        5.93777   0.00002   0.00045  -0.00380  -0.00334   5.93443
   R17        6.70124  -0.00010  -0.00075  -0.00421  -0.00495   6.69629
   R18        6.52711   0.00027   0.01497   0.00290   0.01788   6.54498
   R19        6.22046   0.00011  -0.00230   0.00356   0.00130   6.22177
   R20        6.57115   0.00009  -0.00455   0.00301  -0.00152   6.56963
   R21        6.04881  -0.00012  -0.00766  -0.00514  -0.01283   6.03598
   R22        7.03817   0.00007  -0.00813   0.00040  -0.00770   7.03047
   R23        6.06010  -0.00006  -0.00686  -0.00306  -0.00994   6.05016
   R24        2.34952  -0.00007   0.00000  -0.00003  -0.00002   2.34950
   R25        2.57153   0.00013   0.00016   0.00037   0.00052   2.57204
   R26        2.09486  -0.00002  -0.00010   0.00001  -0.00009   2.09477
   R27        2.76477   0.00013   0.00133  -0.00069   0.00065   2.76542
   R28        2.76882  -0.00004   0.00042  -0.00044   0.00000   2.76882
   R29        2.07666   0.00000  -0.00006   0.00000  -0.00006   2.07661
   R30        2.08254   0.00000  -0.00021   0.00087   0.00056   2.08310
   R31        2.08235   0.00001   0.00001   0.00020   0.00022   2.08257
   R32        2.08052   0.00005   0.00013   0.00011   0.00025   2.08077
   R33        2.07469   0.00001   0.00004  -0.00009  -0.00005   2.07464
   R34        2.08340   0.00000  -0.00006   0.00009   0.00004   2.08344
   R35        2.34851   0.00009   0.00009  -0.00005   0.00004   2.34855
   R36        2.56997   0.00040   0.00158   0.00033   0.00194   2.57191
   R37        2.09445  -0.00001  -0.00014   0.00005  -0.00009   2.09436
   R38        2.77063  -0.00012  -0.00051  -0.00099  -0.00142   2.76921
   R39        2.76436   0.00021   0.00125  -0.00036   0.00093   2.76529
   R40        2.08085   0.00001   0.00047  -0.00060  -0.00013   2.08072
   R41        2.08403  -0.00002  -0.00003   0.00006   0.00003   2.08406
   R42        2.07378  -0.00002  -0.00021   0.00034   0.00013   2.07391
   R43        2.08328   0.00000  -0.00003   0.00006   0.00003   2.08330
   R44        2.08348   0.00005   0.00016  -0.00027  -0.00015   2.08333
   R45        2.07655   0.00002   0.00012  -0.00007   0.00005   2.07660
   R46        2.34813   0.00008  -0.00009   0.00007  -0.00003   2.34810
   R47        2.57187   0.00013   0.00015   0.00001   0.00012   2.57199
   R48        2.09361  -0.00001   0.00008  -0.00008   0.00000   2.09361
   R49        2.76611   0.00002   0.00030  -0.00060  -0.00037   2.76574
   R50        2.76864  -0.00005  -0.00022   0.00003  -0.00021   2.76844
   R51        2.08452  -0.00003  -0.00004   0.00001  -0.00004   2.08448
   R52        2.08372  -0.00014  -0.00069  -0.00057  -0.00118   2.08254
   R53        2.07639   0.00001  -0.00001  -0.00003  -0.00004   2.07635
   R54        2.08523  -0.00002  -0.00006   0.00008   0.00002   2.08525
   R55        2.07394  -0.00001   0.00009  -0.00019  -0.00010   2.07384
   R56        2.07759   0.00001   0.00005   0.00005   0.00010   2.07768
   R57        2.34965  -0.00010  -0.00072   0.00057  -0.00014   2.34951
   R58        2.57188   0.00015   0.00135  -0.00151  -0.00024   2.57164
   R59        2.09443  -0.00006   0.00016  -0.00007   0.00010   2.09452
   R60        2.76916   0.00023   0.00078  -0.00017   0.00053   2.76969
   R61        2.76560  -0.00004  -0.00007   0.00001  -0.00006   2.76554
   R62        2.07435  -0.00001  -0.00010   0.00016   0.00006   2.07441
   R63        2.08344  -0.00005   0.00004  -0.00015  -0.00012   2.08332
   R64        2.08035  -0.00001   0.00017  -0.00005   0.00011   2.08047
   R65        2.07607   0.00002  -0.00003   0.00006   0.00003   2.07610
   R66        2.08544   0.00006   0.00016  -0.00021  -0.00004   2.08540
   R67        2.08190   0.00005   0.00012   0.00006   0.00018   2.08208
    A1        0.68633   0.00003  -0.00069  -0.00001  -0.00069   0.68564
    A2        0.96353   0.00003  -0.00038   0.00008  -0.00030   0.96322
    A3        0.72666   0.00002   0.00067  -0.00019   0.00048   0.72713
    A4        1.01947   0.00004   0.00053   0.00014   0.00067   1.02014
    A5        2.38366   0.00000  -0.00663  -0.00208  -0.00876   2.37489
    A6        2.04762  -0.00004  -0.00501  -0.00032  -0.00537   2.04225
    A7        1.97204  -0.00004  -0.00124   0.00250   0.00124   1.97328
    A8        1.66896  -0.00003   0.00094   0.00280   0.00373   1.67268
    A9        1.68751  -0.00007  -0.00628  -0.00148  -0.00779   1.67972
   A10        1.40148  -0.00007  -0.00565  -0.00116  -0.00681   1.39466
   A11        1.73663   0.00005   0.00078  -0.00098  -0.00020   1.73644
   A12        2.04622   0.00005   0.00018  -0.00141  -0.00125   2.04498
   A13        1.95809   0.00004  -0.00069  -0.00151  -0.00222   1.95587
   A14        2.05836  -0.00001  -0.00150  -0.00359  -0.00511   2.05325
   A15        2.43589   0.00005   0.00054  -0.00103  -0.00051   2.43538
   A16        1.60500  -0.00002  -0.00950   0.00640  -0.00313   1.60187
   A17        1.80151   0.00003  -0.00671   0.00538  -0.00135   1.80016
   A18        1.57446   0.00002  -0.00331   0.00403   0.00067   1.57514
   A19        1.70955   0.00004   0.00019   0.00149   0.00164   1.71120
   A20        2.20237   0.00002  -0.00585   0.00529  -0.00056   2.20181
   A21        2.42011   0.00002  -0.00475   0.00482   0.00007   2.42018
   A22        0.65284   0.00002  -0.00170   0.00018  -0.00153   0.65131
   A23        0.66064   0.00001  -0.00008   0.00052   0.00045   0.66109
   A24        2.46020  -0.00001  -0.01026  -0.00400  -0.01428   2.44592
   A25        2.26457  -0.00002  -0.00807  -0.00142  -0.00952   2.25505
   A26        2.32705  -0.00002  -0.00328   0.00191  -0.00139   2.32566
   A27        2.04540  -0.00001   0.00023   0.00258   0.00280   2.04820
   A28        1.85731  -0.00005  -0.00824  -0.00163  -0.00987   1.84744
   A29        1.60806  -0.00005  -0.00697  -0.00096  -0.00793   1.60013
   A30        1.34184   0.00003   0.00073  -0.00092  -0.00020   1.34165
   A31        1.64773   0.00003  -0.00019  -0.00131  -0.00151   1.64623
   A32        1.60792   0.00002  -0.00156  -0.00139  -0.00297   1.60496
   A33        1.77390  -0.00002  -0.00252  -0.00340  -0.00594   1.76796
   A34        2.03910   0.00003   0.00036  -0.00100  -0.00065   2.03845
   A35        1.87440  -0.00001  -0.00979   0.00539  -0.00444   1.86996
   A36        1.93796   0.00004  -0.00628   0.00396  -0.00234   1.93561
   A37        1.58593   0.00001  -0.00412   0.00304  -0.00112   1.58481
   A38        1.59851   0.00003  -0.00040   0.00042  -0.00001   1.59851
   A39        2.28779   0.00004  -0.00347   0.00292  -0.00054   2.28725
   A40        2.37887   0.00002  -0.00171   0.00189   0.00018   2.37905
   A41        0.69623   0.00001  -0.00094  -0.00022  -0.00116   0.69508
   A42        0.75407   0.00002  -0.00137   0.00083  -0.00055   0.75353
   A43        2.73307   0.00000  -0.01107  -0.00479  -0.01585   2.71722
   A44        2.65432   0.00000  -0.00966  -0.00174  -0.01144   2.64289
   A45        2.64978  -0.00001  -0.00027   0.00285   0.00257   2.65235
   A46        2.33498   0.00000   0.00169   0.00296   0.00464   2.33962
   A47        2.24466  -0.00003  -0.00960  -0.00177  -0.01137   2.23330
   A48        2.00081  -0.00003  -0.00806  -0.00106  -0.00911   1.99169
   A49        1.10231   0.00002   0.00018  -0.00093  -0.00075   1.10156
   A50        1.46708   0.00003  -0.00070  -0.00119  -0.00191   1.46517
   A51        1.58227   0.00003  -0.00253  -0.00140  -0.00396   1.57830
   A52        1.83004   0.00000  -0.00338  -0.00304  -0.00644   1.82359
   A53        1.78262   0.00002   0.00062  -0.00085  -0.00025   1.78237
   A54        1.73411  -0.00003  -0.00872   0.00381  -0.00495   1.72916
   A55        1.66203   0.00001  -0.00465   0.00281  -0.00186   1.66017
   A56        1.25830  -0.00002  -0.00339   0.00252  -0.00091   1.25739
   A57        1.21879   0.00001   0.00053   0.00028   0.00077   1.21956
   A58        1.94841   0.00001  -0.00109   0.00176   0.00066   1.94907
   A59        1.99350   0.00000  -0.00006   0.00148   0.00140   1.99490
   A60        0.85416   0.00000  -0.00321   0.00024  -0.00297   0.85119
   A61        0.79335   0.00001  -0.00460   0.00145  -0.00316   0.79019
   A62        2.65760  -0.00003  -0.00948  -0.00340  -0.01289   2.64471
   A63        2.83734   0.00000  -0.01365  -0.00240  -0.01606   2.82128
   A64        2.58450   0.00001   0.00448   0.00289   0.00740   2.59190
   A65        2.45114  -0.00003  -0.01212  -0.00135  -0.01347   2.43767
   A66        2.24509  -0.00003  -0.00977  -0.00063  -0.01039   2.23470
   A67        0.86715   0.00001  -0.00219  -0.00069  -0.00291   0.86425
   A68        1.24630   0.00002  -0.00299  -0.00084  -0.00386   1.24244
   A69        1.44232   0.00002  -0.00543  -0.00088  -0.00635   1.43597
   A70        1.72262  -0.00001  -0.00608  -0.00205  -0.00818   1.71444
   A71        1.52094   0.00001  -0.00055  -0.00073  -0.00131   1.51963
   A72        1.74355  -0.00002  -0.00462   0.00168  -0.00296   1.74059
   A73        1.56650   0.00002  -0.00096   0.00094  -0.00004   1.56646
   A74        1.13603  -0.00001  -0.00094   0.00105   0.00010   1.13613
   A75        1.02027   0.00001   0.00216  -0.00072   0.00142   1.02169
   A76        1.77560   0.00002   0.00244  -0.00006   0.00236   1.77796
   A77        1.76468   0.00000   0.00238   0.00015   0.00249   1.76717
   A78        2.06584   0.00000  -0.01084  -0.00437  -0.01522   2.05062
   A79        1.99356   0.00000  -0.00980  -0.00229  -0.01209   1.98147
   A80        2.25079  -0.00001  -0.00770   0.00012  -0.00759   2.24319
   A81        2.08220   0.00000  -0.00255   0.00160  -0.00096   2.08124
   A82        1.59709  -0.00002  -0.00895  -0.00159  -0.01054   1.58656
   A83        1.41983  -0.00002  -0.00730  -0.00065  -0.00794   1.41190
   A84        1.19255   0.00002   0.00157  -0.00084   0.00072   1.19327
   A85        1.38852   0.00002   0.00033  -0.00132  -0.00101   1.38751
   A86        1.23179   0.00001  -0.00129  -0.00131  -0.00263   1.22917
   A87        1.35438  -0.00002  -0.00257  -0.00339  -0.00598   1.34840
   A88        1.81392   0.00002   0.00039  -0.00106  -0.00068   1.81325
   A89        2.30372  -0.00002  -0.00944   0.00560  -0.00388   2.29983
   A90        2.35007   0.00002  -0.00582   0.00317  -0.00267   2.34740
   A91        1.95435  -0.00001  -0.00437   0.00224  -0.00217   1.95218
   A92        1.87415   0.00000  -0.00104  -0.00054  -0.00161   1.87254
   A93        2.62960   0.00002  -0.00098   0.00032  -0.00063   2.62897
   A94        2.56600  -0.00001   0.00174  -0.00186  -0.00010   2.56590
   A95        1.97911  -0.00002  -0.00957  -0.00561  -0.01519   1.96392
   A96        2.04640   0.00000  -0.00904  -0.00397  -0.01301   2.03340
   A97        2.41157  -0.00002  -0.00847  -0.00231  -0.01078   2.40078
   A98        2.33604  -0.00001  -0.00300   0.00004  -0.00298   2.33306
   A99        1.70408  -0.00002  -0.00765  -0.00261  -0.01024   1.69385
   A100       1.59964  -0.00001  -0.00595  -0.00146  -0.00738   1.59226
   A101       0.88540   0.00002   0.00123  -0.00028   0.00095   0.88635
   A102       1.06709   0.00001   0.00008  -0.00127  -0.00121   1.06588
   A103       0.94874   0.00000  -0.00144  -0.00183  -0.00330   0.94544
   A104       1.12470  -0.00003  -0.00243  -0.00401  -0.00646   1.11824
   A105       1.49214   0.00001   0.00016  -0.00097  -0.00083   1.49131
   A106       2.48653  -0.00001  -0.01013   0.00491  -0.00526   2.48127
   A107       2.35719   0.00002  -0.00525   0.00198  -0.00328   2.35391
   A108       1.92434  -0.00001  -0.00549   0.00214  -0.00337   1.92096
   A109       1.74868   0.00001  -0.00255  -0.00017  -0.00275   1.74592
   A110       2.46594   0.00001   0.00105  -0.00166  -0.00060   2.46535
   A111       2.30091  -0.00001   0.00241  -0.00265  -0.00023   2.30068
   A112       0.71622   0.00002  -0.00067  -0.00018  -0.00084   0.71539
   A113       1.00860   0.00002  -0.00068  -0.00023  -0.00088   1.00772
   A114       0.69786   0.00007   0.00002  -0.00028  -0.00025   0.69761
   A115       0.98723   0.00007  -0.00030  -0.00033  -0.00062   0.98661
   A116       1.81994  -0.00004  -0.00242  -0.00185  -0.00427   1.81567
   A117       1.43792  -0.00005  -0.00187  -0.00169  -0.00354   1.43438
   A118       1.21551  -0.00005  -0.00420  -0.00259  -0.00676   1.20874
   A119       0.93958  -0.00002  -0.00472  -0.00154  -0.00624   0.93334
   A120       1.24782  -0.00004   0.00099  -0.00034   0.00069   1.24850
   A121       1.81465   0.00004   0.01928   0.00113   0.02048   1.83513
   A122       1.86724  -0.00002   0.01667   0.00115   0.01784   1.88508
   A123       2.23694   0.00000   0.01425   0.00087   0.01513   2.25207
   A124       2.18030  -0.00003   0.00796   0.00165   0.00960   2.18990
   A125       1.53518  -0.00003   0.01372   0.00111   0.01483   1.55002
   A126       1.41516  -0.00002   0.01209   0.00019   0.01227   1.42743
   A127       0.65838  -0.00003  -0.00028  -0.00010  -0.00037   0.65801
   A128       0.66263   0.00003  -0.00036   0.00004  -0.00032   0.66231
   A129       2.18130   0.00001  -0.00244  -0.00168  -0.00410   2.17720
   A130       1.80651   0.00000  -0.00148  -0.00145  -0.00291   1.80360
   A131       1.51809   0.00000  -0.00317  -0.00176  -0.00489   1.51320
   A132       1.22297   0.00002  -0.00324  -0.00105  -0.00427   1.21870
   A133       1.64254   0.00001   0.00096  -0.00061   0.00038   1.64292
   A134       1.67477   0.00001   0.01655   0.00181   0.01844   1.69321
   A135       1.87859  -0.00002   0.01452   0.00167   0.01622   1.89480
   A136       2.30973   0.00001   0.01459   0.00141   0.01602   2.32575
   A137       2.40613  -0.00001   0.00993   0.00205   0.01198   2.41811
   A138       1.65907  -0.00002   0.01101   0.00155   0.01256   1.67163
   A139       1.63534   0.00000   0.00974   0.00032   0.01005   1.64538
   A140       0.70902   0.00000  -0.00113  -0.00002  -0.00114   0.70788
   A141       0.83341   0.00001  -0.00094   0.00040  -0.00053   0.83288
   A142       2.51694  -0.00002  -0.00279  -0.00246  -0.00522   2.51172
   A143       2.13816  -0.00002  -0.00278  -0.00237  -0.00513   2.13303
   A144       1.92327  -0.00003  -0.00454  -0.00233  -0.00683   1.91645
   A145       1.63452  -0.00001  -0.00467  -0.00130  -0.00594   1.62858
   A146       1.85056  -0.00001  -0.00084  -0.00207  -0.00289   1.84767
   A147       1.25022   0.00003   0.01664   0.00185   0.01853   1.26874
   A148       1.50112   0.00000   0.01328   0.00177   0.01505   1.51618
   A149       1.93056   0.00003   0.01422   0.00152   0.01574   1.94630
   A150       2.12179   0.00001   0.01074   0.00215   0.01288   2.13467
   A151       1.38021   0.00000   0.00801   0.00175   0.00973   1.38994
   A152       1.45831   0.00001   0.00605   0.00052   0.00653   1.46484
   A153       0.76850  -0.00002   0.00029  -0.00033  -0.00003   0.76847
   A154       0.76385  -0.00001   0.00096   0.00014   0.00110   0.76496
   A155       2.82787  -0.00002  -0.00318  -0.00218  -0.00535   2.82252
   A156       2.44553  -0.00003  -0.00278  -0.00206  -0.00482   2.44071
   A157       2.17281  -0.00003  -0.00294  -0.00160  -0.00451   2.16830
   A158       1.87653  -0.00001  -0.00291  -0.00101  -0.00388   1.87265
   A159       2.16500  -0.00002  -0.00209  -0.00205  -0.00411   2.16089
   A160       1.13795   0.00003   0.01061   0.00247   0.01309   1.15103
   A161       1.47517   0.00001   0.00730   0.00226   0.00956   1.48473
   A162       1.86558   0.00003   0.00974   0.00197   0.01171   1.87729
   A163       2.13367   0.00001   0.00753   0.00237   0.00991   2.14358
   A164       1.47904   0.00000   0.00179   0.00224   0.00402   1.48307
   A165       1.63092   0.00001   0.00062   0.00105   0.00166   1.63257
   A166       2.16047   0.00003  -0.00170  -0.00032  -0.00199   2.15847
   A167       1.85706   0.00002   0.00014   0.00002   0.00019   1.85726
   A168       1.47228   0.00001  -0.00076   0.00004  -0.00068   1.47160
   A169       1.19208   0.00002  -0.00032   0.00000  -0.00029   1.19180
   A170       1.85659   0.00004   0.00246   0.00077   0.00327   1.85985
   A171       1.90530   0.00001   0.01148   0.00210   0.01367   1.91896
   A172       2.20731   0.00000   0.01122   0.00179   0.01306   2.22037
   A173       2.62725   0.00002   0.01146   0.00159   0.01310   2.64035
   A174       2.05599   0.00001   0.00959   0.00156   0.01118   2.06716
   A175       2.04492   0.00003   0.00968   0.00021   0.00990   2.05483
   A176       2.26667   0.00003  -0.00139   0.00009  -0.00127   2.26540
   A177       2.04227   0.00003   0.00059   0.00036   0.00099   2.04326
   A178       1.63054   0.00002   0.00024   0.00058   0.00086   1.63140
   A179       1.38083   0.00002   0.00075   0.00006   0.00084   1.38167
   A180       2.12249   0.00004   0.00252   0.00093   0.00347   2.12596
   A181       1.85892   0.00000   0.00652   0.00278   0.00937   1.86829
   A182       2.23144   0.00000   0.00626   0.00244   0.00875   2.24019
   A183       2.56409   0.00000   0.00518   0.00207   0.00730   2.57139
   A184       2.21094   0.00000   0.00600   0.00222   0.00826   2.21921
   A185       2.27267   0.00003   0.00732   0.00067   0.00801   2.28068
   A186       0.69434   0.00002  -0.00044  -0.00023  -0.00069   0.69365
   A187       0.98639   0.00001  -0.00043  -0.00048  -0.00092   0.98547
   A188       0.69936   0.00000  -0.00023  -0.00004  -0.00028   0.69909
   A189       2.15595  -0.00003  -0.00442  -0.00307  -0.00748   2.14847
   A190       1.76775  -0.00003  -0.00251  -0.00301  -0.00552   1.76223
   A191       1.44538  -0.00004  -0.00562  -0.00196  -0.00758   1.43780
   A192       1.13761  -0.00002  -0.00483  -0.00227  -0.00712   1.13049
   A193       1.64099  -0.00002   0.00159  -0.00386  -0.00227   1.63871
   A194       1.42372  -0.00003   0.00164  -0.00320  -0.00156   1.42216
   A195       0.66773   0.00001   0.00018   0.00012   0.00030   0.66803
   A196       2.27278  -0.00002   0.00087  -0.00453  -0.00362   2.26917
   A197       1.87299  -0.00003   0.00065  -0.00394  -0.00328   1.86971
   A198       1.66797  -0.00002  -0.00391  -0.00264  -0.00653   1.66144
   A199       1.34741  -0.00001  -0.00423  -0.00228  -0.00651   1.34090
   A200       1.61265  -0.00002   0.00396  -0.00456  -0.00060   1.61205
   A201       1.34363  -0.00003   0.00373  -0.00408  -0.00034   1.34329
   A202       0.71145   0.00001   0.00017   0.00005   0.00021   0.71166
   A203       2.63805   0.00000   0.00495  -0.00534  -0.00031   2.63774
   A204       2.26210  -0.00003   0.00233  -0.00453  -0.00217   2.25994
   A205       2.08371  -0.00001  -0.00405  -0.00286  -0.00690   2.07682
   A206       1.76295   0.00000  -0.00425  -0.00256  -0.00683   1.75612
   A207       1.94116  -0.00002   0.00554  -0.00503   0.00051   1.94167
   A208       1.65852  -0.00002   0.00514  -0.00474   0.00041   1.65893
   A209       0.82900   0.00003   0.00044   0.00148   0.00192   0.83092
   A210       2.61922   0.00003   0.01124  -0.00270   0.00857   2.62779
   A211       2.35535  -0.00001   0.00592  -0.00278   0.00316   2.35851
   A212       2.30869   0.00000  -0.00195  -0.00222  -0.00415   2.30454
   A213       1.99574   0.00000  -0.00328  -0.00160  -0.00490   1.99084
   A214       1.97128   0.00000   0.00716  -0.00280   0.00436   1.97563
   A215       1.69756   0.00001   0.00645  -0.00281   0.00364   1.70120
   A216       1.92705  -0.00001   0.00451  -0.00536  -0.00083   1.92622
   A217       1.55931  -0.00004   0.00331  -0.00469  -0.00137   1.55794
   A218       1.49562  -0.00002  -0.00076  -0.00347  -0.00420   1.49142
   A219       1.20514  -0.00002  -0.00237  -0.00226  -0.00462   1.20052
   A220       1.23279  -0.00003   0.00505  -0.00507  -0.00002   1.23277
   A221       0.95206  -0.00003   0.00461  -0.00470  -0.00009   0.95197
   A222       0.72875   0.00001  -0.00039  -0.00054  -0.00096   0.72779
   A223       1.02090  -0.00001  -0.00028  -0.00048  -0.00081   1.02009
   A224       0.69762   0.00002   0.00020  -0.00035  -0.00014   0.69748
   A225       0.98056   0.00002   0.00068  -0.00061   0.00008   0.98063
   A226       0.65852   0.00000   0.00037   0.00010   0.00044   0.65897
   A227       0.66064  -0.00002   0.00020   0.00011   0.00032   0.66096
   A228       0.70222   0.00003   0.00096  -0.00024   0.00071   0.70293
   A229       0.84936   0.00001  -0.00063   0.00045  -0.00019   0.84917
   A230       0.75646   0.00001   0.00068   0.00050   0.00114   0.75760
   A231       0.78071  -0.00001  -0.00151   0.00161   0.00009   0.78079
   A232       1.60930  -0.00011  -0.00590   0.00108  -0.00482   1.60448
   A233       1.84608   0.00003   0.00570  -0.00066   0.00503   1.85111
   A234       2.19085  -0.00004  -0.00026  -0.00004  -0.00029   2.19055
   A235       2.12943   0.00003  -0.00012   0.00024   0.00010   2.12953
   A236       1.96254   0.00002   0.00040  -0.00021   0.00019   1.96273
   A237       2.12175  -0.00002   0.00023   0.00056   0.00078   2.12254
   A238       2.12477   0.00003   0.00054  -0.00003   0.00050   2.12527
   A239       2.03506  -0.00001  -0.00061  -0.00041  -0.00102   2.03404
   A240       1.84844  -0.00005  -0.00851   0.00245  -0.00606   1.84238
   A241       2.52427   0.00002   0.00831  -0.00201   0.00632   2.53059
   A242       1.91313   0.00000  -0.00038   0.00042   0.00009   1.91323
   A243       1.91979  -0.00001  -0.00084   0.00037  -0.00049   1.91930
   A244       1.91709   0.00000  -0.00042   0.00008  -0.00043   1.91667
   A245       1.90824   0.00000   0.00004   0.00033   0.00036   1.90860
   A246       1.90753   0.00003   0.00087  -0.00049   0.00040   1.90793
   A247       1.89790  -0.00002   0.00075  -0.00073   0.00007   1.89797
   A248       1.29425   0.00003  -0.00330   0.00514   0.00183   1.29609
   A249       1.90499   0.00005  -0.00046   0.00073   0.00027   1.90526
   A250       1.90930  -0.00003  -0.00033   0.00043   0.00009   1.90940
   A251       1.92844   0.00000  -0.00031  -0.00004  -0.00035   1.92808
   A252       1.90952   0.00000   0.00066  -0.00037   0.00029   1.90981
   A253       1.89801  -0.00001   0.00030  -0.00057  -0.00027   1.89774
   A254       1.91343  -0.00001   0.00015  -0.00018  -0.00002   1.91340
   A255       1.72382   0.00010   0.00008   0.00001   0.00009   1.72391
   A256       1.76503  -0.00002  -0.00166   0.00282   0.00117   1.76620
   A257       2.19059   0.00001   0.00012   0.00018   0.00029   2.19088
   A258       2.12959  -0.00003   0.00043  -0.00032   0.00010   2.12969
   A259       1.96278   0.00002  -0.00055   0.00015  -0.00039   1.96239
   A260       2.12296   0.00002   0.00030   0.00004   0.00034   2.12330
   A261       2.12248   0.00000   0.00096  -0.00011   0.00086   2.12334
   A262       2.03718  -0.00002  -0.00122   0.00016  -0.00107   2.03611
   A263       1.34101   0.00005   0.00827  -0.00173   0.00655   1.34756
   A264       1.90004  -0.00001   0.00047   0.00010   0.00057   1.90061
   A265       1.93109  -0.00001  -0.00017   0.00001  -0.00016   1.93093
   A266       1.90799   0.00003   0.00029   0.00020   0.00051   1.90849
   A267       1.89718   0.00000  -0.00034   0.00015  -0.00020   1.89699
   A268       1.91496   0.00001  -0.00034   0.00006  -0.00029   1.91467
   A269       1.91248  -0.00002   0.00009  -0.00052  -0.00044   1.91204
   A270       2.68493  -0.00003  -0.00165  -0.00094  -0.00259   2.68235
   A271       1.67880   0.00004   0.00155   0.00093   0.00248   1.68128
   A272       1.92526   0.00000  -0.00050   0.00058   0.00009   1.92535
   A273       1.91171  -0.00001   0.00029   0.00016   0.00044   1.91216
   A274       1.91417   0.00001   0.00028  -0.00061  -0.00034   1.91383
   A275       1.89488  -0.00002  -0.00024   0.00014  -0.00009   1.89479
   A276       1.91063   0.00000   0.00007   0.00000   0.00007   1.91070
   A277       1.90699   0.00002   0.00010  -0.00027  -0.00017   1.90682
   A278       1.81771   0.00015   0.00372  -0.00198   0.00174   1.81944
   A279       1.73791   0.00006  -0.00149   0.00308   0.00159   1.73950
   A280       2.18815   0.00009   0.00155  -0.00088   0.00067   2.18882
   A281       2.13152  -0.00009  -0.00041  -0.00009  -0.00051   2.13102
   A282       1.96342   0.00000  -0.00114   0.00098  -0.00016   1.96326
   A283       2.12555   0.00002  -0.00106   0.00042  -0.00068   2.12487
   A284       2.11560  -0.00005   0.00048  -0.00074  -0.00025   2.11535
   A285       2.03978   0.00002   0.00034   0.00030   0.00067   2.04046
   A286       2.72314   0.00000   0.00036  -0.00689  -0.00653   2.71661
   A287       1.63446  -0.00001  -0.00003   0.00666   0.00663   1.64109
   A288       1.92497  -0.00001   0.00099  -0.00064   0.00035   1.92531
   A289       1.91307   0.00008   0.00076   0.00047   0.00121   1.91428
   A290       1.91287  -0.00001  -0.00065   0.00030  -0.00034   1.91253
   A291       1.89123  -0.00001  -0.00047   0.00006  -0.00041   1.89082
   A292       1.91328   0.00002  -0.00045   0.00019  -0.00025   1.91303
   A293       1.90822  -0.00007  -0.00019  -0.00039  -0.00057   1.90765
   A294       1.36157   0.00000   0.00010  -0.00270  -0.00261   1.35896
   A295       1.14826  -0.00002  -0.00003   0.00153   0.00149   1.14976
   A296       1.93382  -0.00001   0.00008  -0.00021  -0.00013   1.93369
   A297       1.90806   0.00002  -0.00012   0.00006  -0.00007   1.90798
   A298       1.90115  -0.00002   0.00003   0.00011   0.00014   1.90129
   A299       1.90910   0.00002   0.00030  -0.00042  -0.00011   1.90899
   A300       1.89865  -0.00001  -0.00031   0.00019  -0.00012   1.89853
   A301       1.91296  -0.00001   0.00001   0.00029   0.00030   1.91326
   A302       1.61396   0.00019   0.00763   0.00050   0.00815   1.62211
   A303       1.82228   0.00010  -0.00014  -0.00120  -0.00134   1.82094
   A304       2.18749   0.00015   0.00034   0.00022   0.00059   2.18808
   A305       2.13005  -0.00007   0.00069  -0.00088  -0.00018   2.12987
   A306       1.96519  -0.00007  -0.00096   0.00065  -0.00035   1.96484
   A307       2.12591  -0.00013  -0.00049   0.00020  -0.00035   2.12557
   A308       2.12307   0.00009   0.00027  -0.00002   0.00032   2.12339
   A309       2.02973   0.00005   0.00059  -0.00031   0.00029   2.03001
   A310       1.30093   0.00002   0.00026   0.00318   0.00343   1.30437
   A311       3.05133  -0.00010  -0.00100  -0.00509  -0.00609   3.04524
   A312       1.91222   0.00005   0.00018  -0.00046  -0.00028   1.91193
   A313       1.92616   0.00001   0.00102   0.00016   0.00123   1.92739
   A314       1.90405  -0.00012  -0.00121   0.00044  -0.00082   1.90322
   A315       1.91111   0.00006  -0.00046   0.00109   0.00062   1.91173
   A316       1.91255   0.00000   0.00035  -0.00056  -0.00017   1.91237
   A317       1.89763   0.00000   0.00011  -0.00068  -0.00058   1.89705
   A318       1.79202   0.00006  -0.00723   0.00371  -0.00351   1.78851
   A319       1.91505   0.00004   0.00038  -0.00007   0.00033   1.91538
   A320       1.91486  -0.00007  -0.00125   0.00089  -0.00033   1.91453
   A321       1.91948   0.00002   0.00119  -0.00080   0.00037   1.91985
   A322       1.90717   0.00008  -0.00040   0.00062   0.00021   1.90739
   A323       1.91046  -0.00005   0.00029  -0.00041  -0.00012   1.91034
   A324       1.89665  -0.00003  -0.00023  -0.00023  -0.00046   1.89618
   A325       2.93557   0.00000  -0.00162   0.00258   0.00093   2.93650
   A326       3.39706  -0.00003  -0.00610   0.00001  -0.00614   3.39091
   A327       3.11103  -0.00003  -0.00546   0.00033  -0.00517   3.10586
   A328       3.20768   0.00002  -0.00315   0.00497   0.00181   3.20949
   A329       3.25349   0.00003   0.00835  -0.00224   0.00611   3.25960
   A330       3.27067   0.00003   0.00040  -0.00312  -0.00272   3.26795
   A331       3.70248   0.00001  -0.00694   0.00331  -0.00363   3.69885
   A332       3.28902  -0.00002  -0.01523  -0.00210  -0.01734   3.27167
   A333       2.93233  -0.00001   0.00822   0.00324   0.01144   2.94377
   A334       2.87749  -0.00001   0.00673   0.00212   0.00883   2.88632
   A335       3.22670  -0.00001  -0.00081   0.00241   0.00160   3.22830
   A336       3.08074   0.00000  -0.00228   0.00034  -0.00195   3.07879
   A337       3.10342  -0.00003  -0.00018   0.00031   0.00013   3.10355
   A338       3.05625  -0.00005  -0.00180  -0.00102  -0.00283   3.05342
    D1        2.75860   0.00001   0.00065  -0.00062   0.00005   2.75865
    D2       -1.35692   0.00000  -0.00032  -0.00012  -0.00043  -1.35735
    D3        2.78849  -0.00001  -0.00235  -0.00005  -0.00241   2.78608
    D4       -1.32704  -0.00001  -0.00332   0.00044  -0.00288  -1.32992
    D5        1.65360   0.00004   0.00235  -0.00039   0.00196   1.65556
    D6       -2.46192   0.00003   0.00138   0.00010   0.00148  -2.46044
    D7        1.83086   0.00001   0.00350  -0.00177   0.00173   1.83260
    D8       -2.28466   0.00000   0.00253  -0.00128   0.00126  -2.28341
    D9        0.23166   0.00001   0.01399   0.00566   0.01960   0.25126
   D10        2.39932   0.00000   0.01302   0.00615   0.01912   2.41844
   D11       -0.03139  -0.00002   0.01193   0.00289   0.01481  -0.01658
   D12        2.13627  -0.00003   0.01096   0.00338   0.01433   2.15061
   D13       -0.50053   0.00001   0.01288   0.00205   0.01493  -0.48559
   D14        1.66713   0.00001   0.01191   0.00254   0.01446   1.68159
   D15       -0.59800   0.00001   0.00846   0.00056   0.00902  -0.58898
   D16        1.56966   0.00001   0.00749   0.00106   0.00855   1.57821
   D17        0.17498  -0.00001   0.00864   0.00038   0.00899   0.18398
   D18        2.34264  -0.00002   0.00767   0.00088   0.00852   2.35116
   D19        0.12014  -0.00001   0.00715  -0.00073   0.00639   0.12653
   D20        2.28780  -0.00002   0.00618  -0.00024   0.00591   2.29371
   D21        2.37351   0.00001   0.00525  -0.00064   0.00461   2.37812
   D22       -1.74202   0.00001   0.00428  -0.00015   0.00413  -1.73788
   D23        2.13571  -0.00001   0.00508  -0.00096   0.00412   2.13984
   D24       -1.97981  -0.00002   0.00411  -0.00047   0.00365  -1.97617
   D25        1.68662  -0.00002   0.00523  -0.00031   0.00494   1.69156
   D26       -2.42891  -0.00003   0.00426   0.00018   0.00447  -2.42444
   D27        1.37839  -0.00003   0.00511  -0.00011   0.00503   1.38342
   D28       -2.73714  -0.00003   0.00414   0.00039   0.00456  -2.73258
   D29        2.35868   0.00000   0.00413  -0.00146   0.00268   2.36136
   D30       -1.75684   0.00000   0.00316  -0.00096   0.00220  -1.75464
   D31       -1.73715  -0.00002  -0.00127  -0.00250  -0.00380  -1.74095
   D32        0.43051  -0.00002  -0.00224  -0.00200  -0.00427   0.42624
   D33       -2.09330   0.00001   0.00128  -0.00284  -0.00156  -2.09486
   D34        0.07436   0.00000   0.00031  -0.00235  -0.00204   0.07232
   D35       -2.46543  -0.00002  -0.00103  -0.00194  -0.00296  -2.46839
   D36       -0.29777  -0.00003  -0.00200  -0.00144  -0.00343  -0.30120
   D37       -2.75735   0.00000   0.00042  -0.00285  -0.00245  -2.75979
   D38       -0.58969  -0.00001  -0.00055  -0.00236  -0.00292  -0.59261
   D39       -2.12675   0.00003   0.00597  -0.00462   0.00136  -2.12539
   D40        0.04091   0.00003   0.00500  -0.00412   0.00088   0.04179
   D41       -2.37357   0.00002   0.00799  -0.00600   0.00202  -2.37156
   D42       -0.20592   0.00002   0.00702  -0.00550   0.00154  -0.20437
   D43        1.25936   0.00001   0.00245  -0.00043   0.00203   1.26138
   D44       -1.98206   0.00001   0.01475  -0.00119   0.01357  -1.96850
   D45        2.44188   0.00001   0.00496  -0.00058   0.00438   2.44626
   D46       -0.79954   0.00002   0.01726  -0.00134   0.01592  -0.78362
   D47        2.92259   0.00001   0.00614  -0.00124   0.00490   2.92749
   D48       -0.31883   0.00002   0.01844  -0.00200   0.01644  -0.30239
   D49        2.89510   0.00007  -0.00490  -0.00101  -0.00594   2.88916
   D50       -0.34632   0.00008   0.00740  -0.00177   0.00560  -0.34072
   D51        1.97158  -0.00005   0.01533   0.00512   0.02034   1.99192
   D52       -1.26984  -0.00005   0.02764   0.00436   0.03187  -1.23797
   D53        1.02871   0.00002   0.02669   0.00387   0.03069   1.05940
   D54       -2.21271   0.00002   0.03899   0.00311   0.04223  -2.17049
   D55        0.96084   0.00001   0.01300   0.00044   0.01346   0.97430
   D56       -2.28058   0.00001   0.02530  -0.00032   0.02500  -2.25559
   D57        1.99757  -0.00004   0.00776  -0.00010   0.00761   2.00518
   D58       -1.24385  -0.00003   0.02006  -0.00086   0.01915  -1.22470
   D59        1.80958  -0.00003   0.00681  -0.00098   0.00580   1.81537
   D60       -1.43184  -0.00003   0.01911  -0.00174   0.01733  -1.41451
   D61       -2.31043   0.00002   0.00773  -0.00075   0.00698  -2.30346
   D62        0.73133   0.00002   0.02003  -0.00151   0.01852   0.74985
   D63       -2.43083   0.00001   0.00623  -0.00124   0.00499  -2.42584
   D64        0.61093   0.00001   0.01853  -0.00201   0.01653   0.62746
   D65       -2.83180   0.00000   0.00559  -0.00103   0.00456  -2.82724
   D66        0.20996   0.00000   0.01789  -0.00180   0.01610   0.22606
   D67       -2.99624  -0.00002   0.00442  -0.00247   0.00197  -2.99427
   D68        0.04553  -0.00001   0.01672  -0.00323   0.01350   0.05903
   D69       -2.14349   0.00002   0.00479  -0.00124   0.00355  -2.13994
   D70        0.89828   0.00002   0.01709  -0.00200   0.01509   0.91336
   D71       -0.16446   0.00000   0.00707  -0.00598   0.00110  -0.16336
   D72        2.87731   0.00000   0.01937  -0.00674   0.01264   2.88994
   D73       -0.56482  -0.00002   0.00723  -0.00552   0.00172  -0.56310
   D74        2.47695  -0.00002   0.01953  -0.00628   0.01326   2.49020
   D75       -0.72347  -0.00002   0.00283  -0.00402  -0.00116  -0.72463
   D76        2.31830  -0.00002   0.01513  -0.00478   0.01038   2.32868
   D77       -1.06042  -0.00001   0.00196  -0.00326  -0.00130  -1.06172
   D78        1.98134  -0.00001   0.01426  -0.00402   0.01024   1.99158
   D79       -0.85607  -0.00001   0.01034  -0.00682   0.00351  -0.85256
   D80        2.18569   0.00000   0.02264  -0.00758   0.01505   2.20074
   D81       -1.15960  -0.00001   0.01009  -0.00679   0.00329  -1.15631
   D82        1.88216  -0.00001   0.02239  -0.00756   0.01483   1.89699
   D83       -1.52949   0.00005  -0.00126   0.00219   0.00094  -1.52855
   D84       -2.61136   0.00002  -0.00019   0.00192   0.00173  -2.60963
   D85       -2.94052   0.00000  -0.00335   0.00216  -0.00119  -2.94172
   D86        0.72922   0.00004  -0.00046   0.00349   0.00300   0.73222
   D87        0.29542  -0.00002   0.00152   0.00406   0.00554   0.30097
   D88       -0.11298   0.00001   0.00683   0.00636   0.01316  -0.09982
   D89       -0.43915   0.00001   0.00532   0.00487   0.01019  -0.42896
   D90        0.18757  -0.00003  -0.00071   0.00178   0.00104   0.18860
   D91       -0.04423  -0.00004  -0.00166   0.00118  -0.00050  -0.04473
   D92        2.38712   0.00001   0.00125   0.00240   0.00365   2.39077
   D93        2.04464   0.00000   0.00108   0.00213   0.00323   2.04787
   D94        1.64452  -0.00001   0.00160   0.00230   0.00393   1.64845
   D95        1.36373  -0.00001   0.00089   0.00178   0.00269   1.36642
   D96        2.06000   0.00000  -0.00051   0.00205   0.00155   2.06155
   D97       -1.86748  -0.00002  -0.00336  -0.00241  -0.00580  -1.87328
   D98       -2.42198  -0.00003   0.00198  -0.00452  -0.00250  -2.42448
   D99       -2.63574  -0.00002  -0.00230  -0.00166  -0.00393  -2.63966
   D100      -2.96589  -0.00001  -0.00308  -0.00069  -0.00377  -2.96966
   D101      -2.91130  -0.00003   0.01071  -0.01030   0.00045  -2.91085
   D102       2.83334  -0.00002   0.00829  -0.00813   0.00015   2.83349
   D103      -2.82301   0.00001  -0.00771  -0.00866  -0.01634  -2.83935
   D104       1.27427   0.00001  -0.00765  -0.00925  -0.01686   1.25740
   D105       2.85920  -0.00003  -0.00326  -0.00692  -0.01011   2.84909
   D106       0.67330  -0.00003  -0.00319  -0.00750  -0.01064   0.66266
   D107       2.29233  -0.00006   0.00893  -0.00357   0.00537   2.29770
   D108       0.10642  -0.00006   0.00899  -0.00415   0.00485   0.11127
   D109       1.66167  -0.00003   0.02123   0.00089   0.02205   1.68372
   D110      -0.52424  -0.00003   0.02129   0.00030   0.02153  -0.50272
   D111       2.61714  -0.00002  -0.00012  -0.00475  -0.00487   2.61227
   D112       0.43123  -0.00002  -0.00006  -0.00534  -0.00539   0.42584
   D113       2.27183  -0.00002   0.00088  -0.00337  -0.00251   2.26931
   D114       0.08592  -0.00002   0.00094  -0.00395  -0.00304   0.08288
   D115      -1.60809  -0.00004  -0.00078  -0.00014  -0.00090  -1.60899
   D116       2.48919  -0.00004  -0.00072  -0.00072  -0.00143   2.48776
   D117      -1.77246  -0.00002   0.00179  -0.00074   0.00105  -1.77141
   D118       2.32482  -0.00002   0.00185  -0.00133   0.00053   2.32534
   D119      -2.73535   0.00004   0.00065  -0.00044   0.00022  -2.73512
   D120       1.36193   0.00004   0.00071  -0.00103  -0.00030   1.36163
   D121      -2.69118   0.00002   0.00028  -0.00109  -0.00080  -2.69198
   D122       1.40610   0.00003   0.00034  -0.00167  -0.00133   1.40477
   D123       1.34650  -0.00003   0.00034  -0.00246  -0.00214   1.34436
   D124      -0.83941  -0.00003   0.00040  -0.00304  -0.00267  -0.84207
   D125       1.33013  -0.00001  -0.00259  -0.00347  -0.00608   1.32404
   D126      -0.85578  -0.00001  -0.00253  -0.00406  -0.00661  -0.86239
   D127       1.69411   0.00000  -0.00371  -0.00420  -0.00795   1.68616
   D128      -0.49180   0.00000  -0.00365  -0.00479  -0.00847  -0.50027
   D129       1.81744   0.00004  -0.00503  -0.00274  -0.00779   1.80964
   D130      -0.36847   0.00004  -0.00497  -0.00333  -0.00832  -0.37679
   D131       0.93833  -0.00002  -0.00408  -0.00456  -0.00865   0.92969
   D132      -1.24758  -0.00002  -0.00402  -0.00515  -0.00917  -1.25675
   D133      -0.93268   0.00001  -0.00390   0.00152  -0.00234  -0.93502
   D134      -3.11859   0.00001  -0.00384   0.00093  -0.00287  -3.12145
   D135      -0.51731   0.00003  -0.00189   0.00119  -0.00069  -0.51800
   D136      -2.70322   0.00003  -0.00183   0.00060  -0.00121  -2.70443
   D137      -0.26012   0.00005   0.00571   0.00132   0.00703  -0.25308
   D138      -2.44602   0.00005   0.00577   0.00074   0.00651  -2.43952
   D139       0.13394   0.00003   0.00785   0.00151   0.00937   0.14331
   D140      -2.05197   0.00003   0.00791   0.00092   0.00885  -2.04312
   D141      -0.28768   0.00000  -0.00477   0.00121  -0.00357  -0.29125
   D142      -2.47359   0.00000  -0.00471   0.00062  -0.00410  -2.47769
   D143      -0.03009   0.00001  -0.00532   0.00047  -0.00488  -0.03497
   D144      -2.21600   0.00001  -0.00526  -0.00011  -0.00540  -2.22140
   D145      -2.39807  -0.00001  -0.01266  -0.00530  -0.01798  -2.41605
   D146      -2.62010  -0.00003  -0.01764  -0.00680  -0.02446  -2.64457
   D147      -2.24005  -0.00001  -0.02932  -0.00805  -0.03750  -2.27755
   D148       3.09117  -0.00001  -0.01412  -0.00682  -0.02092   3.07025
   D149       2.70323  -0.00002  -0.01213  -0.00810  -0.02016   2.68307
   D150       1.51884  -0.00004  -0.00377   0.00100  -0.00275   1.51609
   D151       2.61932   0.00006  -0.00247   0.00067  -0.00177   2.61755
   D152       2.99928   0.00006  -0.00274   0.00014  -0.00259   2.99670
   D153       1.20566  -0.00002  -0.00082  -0.00203  -0.00288   1.20278
   D154       1.27916  -0.00001  -0.00542  -0.00253  -0.00796   1.27120
   D155       1.67928   0.00000  -0.00721  -0.00336  -0.01056   1.66871
   D156       1.74744   0.00002  -0.00801  -0.00136  -0.00937   1.73807
   D157       0.93268  -0.00001  -0.00707  -0.00287  -0.00995   0.92273
   D158      -0.92918  -0.00001  -0.01546   0.00197  -0.01351  -0.94269
   D159      -0.60608   0.00003  -0.01440   0.00134  -0.01305  -0.61914
   D160      -0.66270   0.00001  -0.01012   0.00131  -0.00879  -0.67149
   D161      -0.37498   0.00002  -0.00515   0.00066  -0.00446  -0.37944
   D162      -0.21915   0.00001  -0.01601   0.00127  -0.01474  -0.23389
   D163       0.05607   0.00001  -0.01527   0.00131  -0.01396   0.04211
   D164      -1.23180   0.00002  -0.00602  -0.00500  -0.01104  -1.24284
   D165       1.71484   0.00001  -0.00609  -0.00483  -0.01094   1.70390
   D166      -1.60162   0.00001  -0.00670  -0.00486  -0.01157  -1.61319
   D167       1.34501  -0.00001  -0.00677  -0.00469  -0.01147   1.33355
   D168      -1.67561   0.00003  -0.00804  -0.00509  -0.01313  -1.68873
   D169       1.27103   0.00002  -0.00811  -0.00492  -0.01302   1.25801
   D170      -1.93901   0.00004  -0.00931  -0.00429  -0.01361  -1.95261
   D171       1.00763   0.00002  -0.00938  -0.00411  -0.01351   0.99413
   D172      -1.95499   0.00000  -0.00598  -0.00471  -0.01072  -1.96571
   D173       0.99164  -0.00002  -0.00605  -0.00454  -0.01062   0.98103
   D174      -2.25995  -0.00001  -0.00562  -0.00487  -0.01052  -2.27047
   D175       0.68669  -0.00002  -0.00569  -0.00470  -0.01042   0.67627
   D176       1.97043   0.00004   0.00019   0.00080   0.00100   1.97143
   D177      -1.36612   0.00003   0.00012   0.00097   0.00110  -1.36502
   D178       0.82522   0.00005   0.00048   0.00089   0.00137   0.82659
   D179      -2.51132   0.00003   0.00041   0.00106   0.00147  -2.50986
   D180       0.35969   0.00004   0.00185   0.00052   0.00236   0.36205
   D181      -2.97686   0.00003   0.00178   0.00069   0.00246  -2.97439
   D182      -3.08475   0.00000  -0.00190  -0.00261  -0.00451  -3.08927
   D183      -0.13811  -0.00002  -0.00197  -0.00243  -0.00441  -0.14253
   D184       2.93968  -0.00001  -0.00367  -0.00286  -0.00655   2.93314
   D185      -0.39686  -0.00003  -0.00374  -0.00269  -0.00644  -0.40331
   D186       3.10100  -0.00002  -0.00565  -0.00358  -0.00923   3.09177
   D187      -0.23555  -0.00003  -0.00572  -0.00340  -0.00912  -0.24467
   D188       3.00147   0.00001  -0.00688  -0.00170  -0.00859   2.99288
   D189      -0.33508  -0.00001  -0.00695  -0.00153  -0.00848  -0.34356
   D190       2.49569  -0.00001  -0.00385  -0.00319  -0.00706   2.48863
   D191      -0.84086  -0.00003  -0.00393  -0.00302  -0.00696  -0.84781
   D192       0.41628  -0.00002  -0.01691   0.00161  -0.01531   0.40097
   D193      -2.92027  -0.00004  -0.01698   0.00178  -0.01521  -2.93548
   D194       0.72119   0.00001  -0.01554   0.00157  -0.01394   0.70725
   D195      -2.61536  -0.00001  -0.01561   0.00174  -0.01384  -2.62920
   D196       0.55568  -0.00005  -0.01912   0.00152  -0.01750   0.53817
   D197      -2.78087  -0.00007  -0.01919   0.00170  -0.01740  -2.79827
   D198       1.16294   0.00000  -0.01255   0.00197  -0.01056   1.15238
   D199      -2.17360  -0.00002  -0.01262   0.00214  -0.01046  -2.18406
   D200       1.48195   0.00000  -0.01037   0.00176  -0.00860   1.47335
   D201      -1.85460  -0.00001  -0.01044   0.00194  -0.00850  -1.86309
   D202       1.59481  -0.00001   0.00092   0.00173   0.00265   1.59747
   D203      -0.61786   0.00000   0.00054   0.00127   0.00181  -0.61605
   D204       1.65723   0.00000   0.00234   0.00157   0.00390   1.66113
   D205      -0.55545   0.00001   0.00196   0.00110   0.00306  -0.55238
   D206       1.32475  -0.00002   0.00432   0.00159   0.00590   1.33064
   D207      -0.88792   0.00000   0.00394   0.00112   0.00506  -0.88287
   D208       1.14564   0.00000   0.00848   0.00077   0.00926   1.15490
   D209      -1.06703   0.00002   0.00810   0.00031   0.00841  -1.05861
   D210       2.08563  -0.00002   0.00276   0.00164   0.00440   2.09003
   D211      -0.12704   0.00000   0.00238   0.00118   0.00356  -0.12348
   D212       2.19914  -0.00001   0.00245   0.00324   0.00570   2.20484
   D213      -0.01353   0.00001   0.00208   0.00278   0.00486  -0.00868
   D214      -2.18626  -0.00001  -0.00802  -0.00256  -0.01060  -2.19686
   D215       1.88425   0.00001  -0.00840  -0.00303  -0.01144   1.87281
   D216      -2.36291  -0.00001  -0.00787  -0.00134  -0.00922  -2.37213
   D217       1.70760   0.00001  -0.00825  -0.00180  -0.01006   1.69755
   D218      -1.97600  -0.00001  -0.01026  -0.00072  -0.01095  -1.98695
   D219       2.09452   0.00000  -0.01064  -0.00118  -0.01179   2.08273
   D220      -2.12418   0.00002  -0.00473   0.00172  -0.00302  -2.12721
   D221       1.94633   0.00004  -0.00511   0.00126  -0.00386   1.94247
   D222      -2.86072  -0.00005  -0.00695  -0.00095  -0.00792  -2.86864
   D223       1.20980  -0.00003  -0.00733  -0.00141  -0.00876   1.20103
   D224       3.08270  -0.00006  -0.00594  -0.00057  -0.00653   3.07617
   D225       0.87003  -0.00004  -0.00632  -0.00104  -0.00737   0.86266
   D226      -2.70884  -0.00003  -0.00101   0.00061  -0.00042  -2.70926
   D227       1.36167  -0.00001  -0.00138   0.00014  -0.00126   1.36041
   D228      -2.64094  -0.00006  -0.00134  -0.00189  -0.00325  -2.64420
   D229       1.42957  -0.00005  -0.00172  -0.00236  -0.00409   1.42548
   D230      -1.56172  -0.00002  -0.00020   0.00090   0.00069  -1.56103
   D231       2.50880  -0.00001  -0.00058   0.00043  -0.00015   2.50865
   D232      -0.12907  -0.00001   0.01321  -0.00463   0.00864  -0.12044
   D233      -2.34174   0.00000   0.01283  -0.00509   0.00779  -2.33395
   D234      -0.24919  -0.00005   0.00830  -0.00295   0.00537  -0.24382
   D235      -2.46186  -0.00004   0.00792  -0.00341   0.00453  -2.45733
   D236       0.04137  -0.00002   0.00537  -0.00218   0.00322   0.04459
   D237      -2.17130   0.00000   0.00499  -0.00264   0.00238  -2.16892
   D238      -0.05316  -0.00003   0.00171  -0.00006   0.00167  -0.05149
   D239      -2.26583  -0.00001   0.00133  -0.00052   0.00083  -2.26500
   D240      -0.63441  -0.00004   0.00639  -0.00251   0.00388  -0.63053
   D241      -2.84708  -0.00003   0.00601  -0.00298   0.00303  -2.84404
   D242      -0.81619  -0.00003   0.00562  -0.00292   0.00270  -0.81349
   D243      -3.02886  -0.00001   0.00525  -0.00338   0.00186  -3.02700
   D244      -2.94593   0.00005   0.00392   0.00118   0.00511  -2.94082
   D245      -0.04370   0.00005   0.00266   0.00268   0.00534  -0.03836
   D246       3.13909   0.00003   0.00500   0.00120   0.00621  -3.13788
   D247      -0.24187   0.00003   0.00374   0.00270   0.00645  -0.23542
   D248       2.74706   0.00001   0.00618   0.00131   0.00749   2.75455
   D249      -0.63390   0.00001   0.00492   0.00281   0.00773  -0.62617
   D250       2.50619   0.00002   0.00766   0.00085   0.00852   2.51471
   D251      -0.87477   0.00002   0.00640   0.00235   0.00876  -0.86601
   D252      -2.92267   0.00001   0.00598   0.00124   0.00725  -2.91542
   D253      -0.02045   0.00001   0.00472   0.00274   0.00748  -0.01296
   D254      -3.09717   0.00001   0.00554   0.00250   0.00806  -3.08911
   D255      -0.19495   0.00001   0.00427   0.00400   0.00830  -0.18665
   D256      -0.62018   0.00003  -0.00407  -0.00144  -0.00552  -0.62570
   D257       2.28205   0.00003  -0.00533   0.00006  -0.00529   2.27676
   D258      -0.88034   0.00001  -0.00302  -0.00018  -0.00320  -0.88355
   D259       2.02188   0.00001  -0.00428   0.00131  -0.00297   2.01892
   D260      -0.73229   0.00000  -0.00177   0.00151  -0.00025  -0.73254
   D261       2.16994   0.00001  -0.00303   0.00300  -0.00002   2.16992
   D262      -0.95412   0.00001   0.00241   0.00256   0.00496  -0.94916
   D263       1.94810   0.00002   0.00115   0.00405   0.00520   1.95330
   D264      -1.28897  -0.00002  -0.00314  -0.00031  -0.00344  -1.29241
   D265       1.61326  -0.00002  -0.00440   0.00119  -0.00321   1.61005
   D266      -1.53372  -0.00002  -0.00207   0.00017  -0.00189  -1.53561
   D267       1.36851  -0.00002  -0.00333   0.00167  -0.00166   1.36686
   D268       1.97932  -0.00001   0.00198   0.00101   0.00299   1.98231
   D269      -1.40164  -0.00001   0.00071   0.00251   0.00322  -1.39842
   D270       0.86242   0.00002   0.00218   0.00096   0.00314   0.86557
   D271      -2.51854   0.00002   0.00092   0.00246   0.00338  -2.51516
   D272       0.81037   0.00002   0.02689  -0.00051   0.02618   0.83655
   D273      -2.57059   0.00002   0.02563   0.00099   0.02642  -2.54417
   D274       1.04816  -0.00003   0.01411  -0.00065   0.01346   1.06162
   D275      -2.33280  -0.00003   0.01285   0.00085   0.01369  -2.31910
   D276       1.52999   0.00001   0.01082  -0.00134   0.00954   1.53953
   D277      -1.85097   0.00001   0.00956   0.00015   0.00978  -1.84119
   D278       1.53281   0.00000   0.00589   0.00116   0.00708   1.53989
   D279      -1.84815   0.00000   0.00463   0.00265   0.00732  -1.84083
   D280       0.76474  -0.00001   0.00745   0.00092   0.00838   0.77313
   D281      -2.61622  -0.00001   0.00619   0.00241   0.00862  -2.60760
   D282       0.75068   0.00001   0.00624   0.00021   0.00646   0.75715
   D283      -2.63028   0.00001   0.00498   0.00171   0.00670  -2.62358
   D284       1.54608   0.00000   0.00218   0.00209   0.00427   1.55035
   D285      -2.67526   0.00000   0.00215   0.00338   0.00553  -2.66973
   D286       1.60780   0.00001   0.00327   0.00151   0.00477   1.61257
   D287      -2.61354   0.00001   0.00324   0.00280   0.00603  -2.60751
   D288       1.29095  -0.00001   0.00451   0.00162   0.00612   1.29707
   D289      -2.93039  -0.00001   0.00448   0.00291   0.00738  -2.92301
   D290       1.19638   0.00000   0.00742   0.00094   0.00836   1.20474
   D291      -3.02496   0.00000   0.00739   0.00223   0.00963  -3.01534
   D292       2.00572   0.00000   0.00364   0.00123   0.00487   2.01059
   D293      -2.21562   0.00000   0.00361   0.00253   0.00613  -2.20949
   D294       1.99097   0.00001   0.00285   0.00243   0.00527   1.99623
   D295      -2.23037   0.00001   0.00282   0.00372   0.00653  -2.22385
   D296      -2.25870  -0.00001  -0.00784  -0.00317  -0.01103  -2.26972
   D297      -0.19685  -0.00001  -0.00787  -0.00188  -0.00977  -0.20662
   D298      -2.24925   0.00000  -0.00627  -0.00157  -0.00784  -2.25710
   D299      -0.18741   0.00001  -0.00630  -0.00028  -0.00658  -0.19399
   D300      -1.86568  -0.00001  -0.00625  -0.00080  -0.00704  -1.87272
   D301       0.19617  -0.00001  -0.00628   0.00049  -0.00578   0.19039
   D302      -1.81817  -0.00001  -0.00271   0.00002  -0.00268  -1.82086
   D303       0.24367   0.00000  -0.00274   0.00131  -0.00142   0.24225
   D304      -2.60538  -0.00001  -0.00521  -0.00061  -0.00581  -2.61119
   D305      -0.54354  -0.00001  -0.00524   0.00068  -0.00455  -0.54809
   D306      -2.73596  -0.00001  -0.00429   0.00003  -0.00426  -2.74023
   D307      -0.67412   0.00000  -0.00432   0.00132  -0.00300  -0.67712
   D308       1.52336  -0.00001   0.00046   0.00084   0.00129   1.52466
   D309      -2.69798  -0.00001   0.00043   0.00213   0.00256  -2.69542
   D310       2.62813   0.00002  -0.00025   0.00044   0.00016   2.62829
   D311      -1.59321   0.00002  -0.00028   0.00173   0.00142  -1.59179
   D312       3.02100  -0.00003  -0.00060  -0.00164  -0.00225   3.01875
   D313      -1.20034  -0.00003  -0.00063  -0.00035  -0.00099  -1.20133
   D314      -0.54025   0.00002   0.01251  -0.00052   0.01201  -0.52824
   D315       1.52159   0.00002   0.01248   0.00077   0.01327   1.53486
   D316      -0.37069  -0.00002   0.00855  -0.00024   0.00832  -0.36237
   D317       1.69115  -0.00002   0.00852   0.00105   0.00958   1.70074
   D318       0.05810   0.00001   0.00831  -0.00023   0.00810   0.06620
   D319       2.11994   0.00002   0.00828   0.00106   0.00936   2.12930
   D320       0.19812   0.00000   0.00528   0.00183   0.00713   0.20525
   D321       2.25996   0.00000   0.00525   0.00312   0.00839   2.26835
   D322      -0.60997  -0.00002   0.00530   0.00004   0.00535  -0.60462
   D323       1.45187  -0.00002   0.00527   0.00133   0.00661   1.45848
   D324      -0.65024   0.00000   0.00520  -0.00099   0.00422  -0.64602
   D325       1.41160   0.00000   0.00517   0.00030   0.00549   1.41709
   D326       0.11109  -0.00004  -0.00843   0.00117  -0.00722   0.10387
   D327       2.27553  -0.00004  -0.00511   0.00014  -0.00493   2.27060
   D328       0.41155  -0.00002  -0.00827   0.00230  -0.00595   0.40560
   D329       2.57599  -0.00002  -0.00496   0.00127  -0.00367   2.57233
   D330       0.78909  -0.00001  -0.00987   0.00200  -0.00787   0.78122
   D331       2.95354   0.00000  -0.00655   0.00097  -0.00559   2.94795
   D332       1.07097  -0.00001  -0.01021   0.00233  -0.00787   1.06310
   D333      -3.04777   0.00000  -0.00690   0.00129  -0.00559  -3.05336
   D334       0.33335   0.00000  -0.00696   0.00412  -0.00279   0.33056
   D335       2.49779   0.00001  -0.00365   0.00309  -0.00051   2.49728
   D336       0.72779   0.00001  -0.01001   0.00688  -0.00317   0.72461
   D337       2.89223   0.00001  -0.00669   0.00585  -0.00089   2.89134
   D338      -2.31895  -0.00004  -0.00373   0.00035  -0.00346  -2.32242
   D339      -0.15451  -0.00003  -0.00041  -0.00068  -0.00118  -0.15569
   D340      -1.94367   0.00000  -0.00349   0.00046  -0.00311  -1.94678
   D341       0.22077   0.00001  -0.00017  -0.00058  -0.00082   0.21995
   D342      -1.87167  -0.00001  -0.00848   0.00094  -0.00763  -1.87930
   D343       0.29278   0.00000  -0.00516  -0.00009  -0.00535   0.28743
   D344      -1.55205  -0.00002  -0.01359   0.00106  -0.01259  -1.56464
   D345       0.61240  -0.00001  -0.01027   0.00003  -0.01030   0.60209
   D346      -1.59537   0.00004   0.00087   0.00029   0.00112  -1.59425
   D347       0.56908   0.00004   0.00419  -0.00074   0.00340   0.57248
   D348      -1.29322   0.00004   0.00050   0.00053   0.00102  -1.29220
   D349       0.87122   0.00004   0.00382  -0.00050   0.00330   0.87452
   D350       1.90454   0.00000  -0.01471   0.00381  -0.01094   1.89359
   D351      -2.21421   0.00001  -0.01139   0.00278  -0.00866  -2.22286
   D352       2.36182   0.00000  -0.01804   0.00290  -0.01513   2.34669
   D353      -1.75692   0.00001  -0.01473   0.00186  -0.01285  -1.76977
   D354       2.68899  -0.00001  -0.02896   0.00215  -0.02659   2.66240
   D355      -1.42975   0.00000  -0.02564   0.00112  -0.02430  -1.45406
   D356      -2.98436  -0.00002  -0.01912  -0.00320  -0.02231  -3.00666
   D357      -0.81991  -0.00001  -0.01581  -0.00423  -0.02002  -0.83994
   D358       2.65273  -0.00001  -0.01177   0.00120  -0.01054   2.64219
   D359      -1.46601   0.00000  -0.00845   0.00017  -0.00826  -1.47427
   D360       1.64906   0.00001  -0.00276   0.00000  -0.00275   1.64630
   D361      -2.46969   0.00002   0.00056  -0.00103  -0.00047  -2.47015
   D362       1.82371   0.00001  -0.00233  -0.00099  -0.00331   1.82039
   D363      -2.29503   0.00002   0.00098  -0.00203  -0.00103  -2.29607
   D364       2.75522   0.00004  -0.00096   0.00024  -0.00071   2.75451
   D365      -1.36352   0.00005   0.00235  -0.00079   0.00157  -1.36195
   D366       2.76057   0.00000  -0.00427   0.00135  -0.00292   2.75764
   D367      -1.35817   0.00001  -0.00095   0.00031  -0.00064  -1.35881
   D368       0.08150  -0.00004  -0.01023   0.00724  -0.00295   0.07855
   D369      -2.39332  -0.00004   0.00631   0.00152   0.00787  -2.38546
   D370       0.48098  -0.00001  -0.00994   0.00720  -0.00271   0.47827
   D371      -1.99384  -0.00001   0.00660   0.00148   0.00810  -1.98574
   D372       0.70106  -0.00002  -0.01071   0.00613  -0.00455   0.69651
   D373      -1.77377  -0.00002   0.00583   0.00040   0.00627  -1.76750
   D374       0.96963  -0.00001  -0.00904   0.00532  -0.00367   0.96596
   D375      -1.50520  -0.00001   0.00750  -0.00041   0.00715  -1.49805
   D376       0.71749   0.00001  -0.00929   0.00852  -0.00076   0.71673
   D377      -1.75734   0.00000   0.00725   0.00279   0.01006  -1.74728
   D378       1.06153   0.00001  -0.00977   0.00866  -0.00110   1.06042
   D379      -1.41330   0.00001   0.00677   0.00293   0.00971  -1.40359
   D380      -2.67464  -0.00006  -0.01587   0.00194  -0.01394  -2.68858
   D381       1.13372  -0.00006   0.00067  -0.00379  -0.00313   1.13059
   D382      -2.16346   0.00000  -0.00934   0.00200  -0.00739  -2.17085
   D383       1.64490   0.00000   0.00720  -0.00372   0.00342   1.64832
   D384      -1.92126  -0.00001  -0.01002   0.00259  -0.00746  -1.92872
   D385       1.88710  -0.00001   0.00652  -0.00314   0.00335   1.89045
   D386      -1.59302  -0.00001  -0.01051   0.00302  -0.00749  -1.60051
   D387       2.21534  -0.00001   0.00603  -0.00271   0.00332   2.21866
   D388      -1.73495   0.00006   0.00420   0.00226   0.00636  -1.72859
   D389       2.07341   0.00006   0.02074  -0.00347   0.01717   2.09058
   D390      -1.18141   0.00007   0.00863   0.00396   0.01262  -1.16879
   D391       2.62695   0.00007   0.02517  -0.00177   0.02344   2.65038
   D392       1.81899   0.00002  -0.00889   0.00578  -0.00310   1.81589
   D393      -0.65583   0.00002   0.00765   0.00006   0.00771  -0.64812
   D394       2.13057   0.00002  -0.01060   0.00613  -0.00448   2.12610
   D395      -0.34425   0.00002   0.00594   0.00040   0.00634  -0.33792
   D396       2.10293   0.00001  -0.01419   0.00720  -0.00703   2.09590
   D397      -0.37190   0.00001   0.00235   0.00147   0.00379  -0.36811
   D398       2.34226  -0.00003  -0.01786   0.00476  -0.01311   2.32914
   D399      -0.13257  -0.00003  -0.00132  -0.00096  -0.00230  -0.13487
   D400       2.52030   0.00001  -0.00924   0.00604  -0.00318   2.51712
   D401       0.04548   0.00001   0.00730   0.00032   0.00763   0.05311
   D402      -1.53656   0.00002   0.00032   0.00212   0.00247  -1.53409
   D403       2.27180   0.00002   0.01686  -0.00361   0.01328   2.28508
   D404      -2.63198   0.00001   0.00032   0.00214   0.00245  -2.62953
   D405       1.17638   0.00001   0.01686  -0.00359   0.01326   1.18964
   D406      -2.97932   0.00000  -0.00175   0.00320   0.00143  -2.97788
   D407       0.82904   0.00000   0.01479  -0.00253   0.01225   0.84129
   D408       1.92928  -0.00005  -0.00751   0.00249  -0.00502   1.92426
   D409       2.43157  -0.00001  -0.00970   0.00471  -0.00500   2.42657
   D410       2.66559  -0.00001  -0.00784   0.00247  -0.00535   2.66025
   D411       2.89339   0.00000  -0.00475   0.00120  -0.00350   2.88988
   D412       2.87088   0.00002  -0.01549   0.01079  -0.00472   2.86616
   D413      -2.90849   0.00004  -0.01283   0.00792  -0.00488  -2.91336
   D414      -0.70560  -0.00004  -0.00838  -0.00205  -0.01048  -0.71608
   D415      -0.33033   0.00001  -0.00733  -0.00242  -0.00980  -0.34014
   D416      -0.00091   0.00000  -0.01117  -0.00222  -0.01343  -0.01434
   D417       0.30382  -0.00001  -0.01026  -0.00234  -0.01259   0.29123
   D418      -0.22242   0.00003  -0.00221  -0.00283  -0.00509  -0.22751
   D419       0.07001   0.00003   0.00140  -0.00312  -0.00175   0.06826
   D420      -2.52375   0.00001  -0.00686  -0.00033  -0.00718  -2.53093
   D421      -2.14181   0.00001  -0.00705  -0.00059  -0.00763  -2.14944
   D422      -1.87876   0.00002  -0.00872  -0.00072  -0.00944  -1.88820
   D423      -1.56045   0.00000  -0.00810  -0.00208  -0.01020  -1.57065
   D424      -1.94631   0.00000  -0.00499  -0.00087  -0.00584  -1.95215
   D425       1.29710   0.00005   0.00534  -0.00144   0.00396   1.30105
   D426       2.46956   0.00002   0.00374  -0.00192   0.00183   2.47138
   D427       2.94682   0.00000   0.00369  -0.00261   0.00109   2.94791
   D428      -3.05921   0.00015   0.00005  -0.00151  -0.00147  -3.06068
   D429       0.01947   0.00012   0.00330   0.00067   0.00398   0.02345
   D430       0.05346   0.00006   0.00064  -0.00215  -0.00151   0.05195
   D431       3.13215   0.00003   0.00390   0.00003   0.00393   3.13608
   D432      -0.12639   0.00002   0.01303  -0.00092   0.01212  -0.11427
   D433       1.97228   0.00002   0.01232  -0.00001   0.01232   1.98460
   D434      -2.22251  -0.00002   0.01246  -0.00063   0.01183  -2.21068
   D435       3.07503   0.00005   0.00990  -0.00300   0.00690   3.08193
   D436      -1.10949   0.00005   0.00919  -0.00209   0.00710  -1.10239
   D437       0.97891   0.00001   0.00933  -0.00272   0.00661   0.98552
   D438      -2.37165   0.00006  -0.00007   0.00379   0.00371  -2.36794
   D439      -0.28285   0.00008   0.00026   0.00402   0.00428  -0.27857
   D440       1.82523   0.00004   0.00004   0.00405   0.00409   1.82932
   D441       0.71000   0.00003   0.00305   0.00590   0.00895   0.71895
   D442       2.79880   0.00005   0.00338   0.00614   0.00952   2.80833
   D443      -1.37630   0.00001   0.00317   0.00616   0.00933  -1.36697
   D444       0.00655   0.00003  -0.00138  -0.00227  -0.00365   0.00290
   D445       3.11063   0.00006   0.00019   0.00056   0.00075   3.11137
   D446      -3.11262   0.00001  -0.00095  -0.00291  -0.00386  -3.11648
   D447      -0.00854   0.00004   0.00061  -0.00008   0.00054  -0.00800
   D448       2.43324   0.00002  -0.00858   0.00439  -0.00418   2.42905
   D449      -1.76615   0.00001  -0.00881   0.00465  -0.00416  -1.77031
   D450       0.34159  -0.00001  -0.00862   0.00414  -0.00448   0.33711
   D451      -0.67259  -0.00001  -0.01011   0.00169  -0.00841  -0.68099
   D452       1.41121  -0.00002  -0.01034   0.00195  -0.00839   1.40282
   D453      -2.76424  -0.00003  -0.01016   0.00145  -0.00870  -2.77294
   D454       2.04187   0.00003   0.00292  -0.00203   0.00089   2.04276
   D455      -2.15662   0.00000   0.00250  -0.00141   0.00111  -2.15551
   D456      -0.06386   0.00003   0.00298  -0.00201   0.00097  -0.06289
   D457      -1.13548   0.00006   0.00445   0.00066   0.00511  -1.13038
   D458       0.94922   0.00003   0.00403   0.00129   0.00533   0.95454
   D459       3.04198   0.00005   0.00450   0.00068   0.00518   3.04716
   D460      -3.08578   0.00011   0.00411  -0.00073   0.00338  -3.08240
   D461      -0.01858   0.00008   0.00035  -0.00104  -0.00069  -0.01927
   D462       0.07088  -0.00002   0.00406  -0.00105   0.00301   0.07389
   D463       3.13808  -0.00005   0.00030  -0.00136  -0.00106   3.13702
   D464       1.91853  -0.00006  -0.00355   0.00573   0.00217   1.92071
   D465      -2.28378  -0.00002  -0.00304   0.00571   0.00264  -2.28113
   D466      -0.18947  -0.00006  -0.00321   0.00570   0.00248  -0.18698
   D467      -1.15174  -0.00002   0.00005   0.00607   0.00611  -1.14563
   D468       0.92913   0.00001   0.00056   0.00604   0.00658   0.93572
   D469       3.02344  -0.00003   0.00039   0.00604   0.00642   3.02987
   D470      -1.64718   0.00003   0.00307   0.00298   0.00605  -1.64113
   D471       0.45812   0.00006   0.00342   0.00237   0.00579   0.46391
   D472       2.54805   0.00006   0.00338   0.00282   0.00619   2.55424
   D473       1.42353   0.00000  -0.00058   0.00270   0.00212   1.42565
   D474      -2.75435   0.00003  -0.00023   0.00209   0.00185  -2.75250
   D475      -0.66443   0.00003  -0.00027   0.00253   0.00226  -0.66217
   D476       0.01683  -0.00011  -0.00170  -0.00096  -0.00265   0.01418
   D477      -3.01947  -0.00015  -0.00622   0.00050  -0.00572  -3.02519
   D478       3.12615   0.00013   0.00100  -0.00145  -0.00044   3.12571
   D479       0.08984   0.00009  -0.00351   0.00000  -0.00351   0.08634
   D480      -0.28202  -0.00007  -0.00700   0.00428  -0.00274  -0.28476
   D481       1.82363   0.00004  -0.00680   0.00544  -0.00137   1.82226
   D482      -2.37570  -0.00003  -0.00679   0.00497  -0.00185  -2.37755
   D483       2.75961  -0.00002  -0.00272   0.00291   0.00018   2.75979
   D484      -1.41793   0.00009  -0.00252   0.00407   0.00154  -1.41639
   D485       0.66593   0.00002  -0.00252   0.00360   0.00106   0.66700
   D486      -0.11377   0.00001   0.01467  -0.00547   0.00920  -0.10457
   D487       1.98172   0.00009   0.01365  -0.00420   0.00946   1.99118
   D488      -2.21620   0.00003   0.01332  -0.00442   0.00891  -2.20729
   D489       3.12761  -0.00002   0.01045  -0.00412   0.00633   3.13394
   D490      -1.06009   0.00007   0.00943  -0.00284   0.00659  -1.05350
   D491       1.02518   0.00000   0.00910  -0.00307   0.00604   1.03122
         Item               Value     Threshold  Converged?
 Maximum Force            0.000400     0.000450     YES
 RMS     Force            0.000042     0.000300     YES
 Maximum Displacement     0.079734     0.001800     NO 
 RMS     Displacement     0.009411     0.001200     NO 
 Predicted change in Energy=-2.758456D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:19:52 2016, MaxMem=  2952790016 cpu:        12.8
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.791975   -0.579723    1.639052
      2          6           0       -2.051749    1.133525   -1.388843
      3          8           0       -2.586572    0.157677   -1.943351
      4          7           0       -0.762256    1.188517   -0.956770
      5          1           0       -2.612449    2.063840   -1.167691
      6          6           0       -0.247439    2.346024   -0.224187
      7          1           0       -1.006989    3.139989   -0.207832
      8          1           0        0.001073    2.056820    0.810092
      9          1           0        0.664119    2.723632   -0.715090
     10          6           0        0.160676    0.065087   -1.138163
     11          1           0        0.723456   -0.094604   -0.205326
     12          1           0       -0.410562   -0.840831   -1.379570
     13          1           0        0.874822    0.280004   -1.950152
     14          6           0       -2.069996   -3.946815    2.695010
     15          8           0       -2.221297   -3.751602    3.913022
     16          7           0       -2.977623   -3.644753    1.726880
     17          1           0       -1.137825   -4.379966    2.280595
     18          6           0       -4.269607   -3.032346    2.048042
     19          1           0       -4.496329   -2.262189    1.294515
     20          1           0       -5.072423   -3.788335    2.033302
     21          1           0       -4.216604   -2.572244    3.042992
     22          6           0       -2.695498   -3.877664    0.310020
     23          1           0       -3.400807   -4.616802   -0.104204
     24          1           0       -2.807826   -2.933915   -0.248656
     25          1           0       -1.667201   -4.247339    0.193818
     26          6           0        1.600577    0.361084    2.572238
     27          8           0        1.455586    1.386208    3.259302
     28          7           0        1.203903   -0.890728    2.930059
     29          1           0        2.069303    0.386402    1.568707
     30          6           0        1.480318   -2.056029    2.088814
     31          1           0        2.232990   -2.704457    2.568155
     32          1           0        0.556729   -2.640987    1.949948
     33          1           0        1.850326   -1.723483    1.109132
     34          6           0        0.565240   -1.143617    4.224031
     35          1           0        1.311662   -1.453422    4.975375
     36          1           0        0.062483   -0.229852    4.565522
     37          1           0       -0.173473   -1.949327    4.105903
     38          6           0       -4.606319    0.998617    2.897560
     39          8           0       -4.855266    1.557619    1.815271
     40          7           0       -3.550112    1.283923    3.706849
     41          1           0       -5.231998    0.172148    3.289951
     42          6           0       -2.580257    2.330053    3.370487
     43          1           0       -2.675070    2.591012    2.308451
     44          1           0       -2.752595    3.227353    3.987367
     45          1           0       -1.564262    1.955280    3.568874
     46          6           0       -3.251906    0.479964    4.892782
     47          1           0       -4.047764   -0.261226    5.048411
     48          1           0       -2.289369   -0.042108    4.755759
     49          1           0       -3.177078    1.129716    5.779443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.488675   0.000000
     3  O    3.742827   1.243300   0.000000
     4  N    3.305341   1.361068   2.316053   0.000000
     5  H    3.942006   1.108503   2.058101   2.057642   0.000000
     6  C    3.797005   2.466194   3.635372   1.463399   2.561855
     7  H    4.226516   2.551903   3.794904   2.104530   2.157991
     8  H    3.294472   3.146724   4.228959   2.111498   3.277525
     9  H    4.741997   3.218435   4.319692   2.109392   3.372843
    10  C    3.455654   2.469661   2.864309   1.465196   3.418495
    11  H    3.156653   3.257419   3.747087   2.102000   4.088189
    12  H    3.329948   2.567424   2.459651   2.102546   3.651070
    13  H    4.553386   3.099740   3.463562   2.119488   3.994418
    14  C    3.539725   6.518286   6.215151   6.435628   7.165382
    15  O    3.926332   7.211310   7.050744   7.088614   7.732142
    16  N    3.287535   5.779007   5.299244   5.955697   6.410923
    17  H    3.909136   6.685703   6.366380   6.452099   7.455725
    18  C    3.510171   5.838284   5.379598   6.256684   6.249659
    19  H    3.203581   4.970640   4.470649   5.560482   5.322217
    20  H    4.605645   6.712694   6.128967   7.230984   7.109556
    21  H    3.438026   6.169319   5.913805   6.486443   6.465017
    22  C    3.668664   5.330344   4.623150   5.568515   6.123071
    23  H    4.682445   6.044544   5.180838   6.433548   6.810543
    24  H    3.183962   4.291358   3.532546   4.656203   5.085308
    25  H    3.944069   5.621957   4.981656   5.629503   6.525197
    26  C    3.642164   5.443006   6.161504   4.326837   5.885239
    27  O    4.127559   5.828422   6.701935   4.767931   6.050319
    28  N    3.276996   5.774927   6.262345   4.826642   6.331316
    29  H    3.980931   5.127219   5.836440   3.878034   5.676308
    30  C    3.617964   5.894307   6.139905   4.983151   6.657994
    31  H    4.645220   6.981901   7.195392   6.045812   7.757028
    32  H    3.140363   5.674384   5.733291   4.985361   6.472925
    33  H    3.854265   5.443214   5.704602   4.424170   6.280454
    34  C    3.543523   6.598361   7.047261   5.834534   7.032507
    35  H    4.639716   7.649060   8.103125   6.816988   8.093642
    36  H    3.482191   6.463996   7.037975   5.760874   6.729488
    37  H    3.252802   6.574507   6.845143   5.985264   7.061509
    38  C    3.463456   4.991721   5.312342   5.446902   4.651504
    39  O    3.739390   4.278541   4.608043   4.957135   3.766239
    40  N    3.292416   5.313548   5.841369   5.434205   5.024801
    41  H    3.889028   5.738409   5.863952   6.248699   5.505553
    42  C    3.476500   4.935810   5.740743   4.830464   4.546093
    43  H    3.358796   4.022783   4.899671   4.035780   3.516446
    44  H    4.575063   5.811965   6.680112   5.706382   5.286589
    45  H    3.194105   5.048949   5.887370   4.659677   4.852374
    46  C    3.720363   6.428557   6.875991   6.396692   6.296579
    47  H    4.100458   6.882416   7.155089   6.997037   6.790140
    48  H    3.201608   6.260568   6.708675   6.039826   6.294971
    49  H    4.688660   7.256081   7.806094   7.156214   7.032359
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098892   0.000000
     8  H    1.102330   1.796000   0.000000
     9  H    1.102049   1.795346   1.791773   0.000000
    10  C    2.490900   3.418184   2.790729   2.738669   0.000000
    11  H    2.626720   3.668383   2.486269   2.864583   1.101094
    12  H    3.393754   4.192329   3.655194   3.781781   1.097851
    13  H    2.916653   3.841407   3.396978   2.746105   1.102507
    14  C    7.172395   7.731705   6.624641   7.974900   5.980340
    15  O    7.628477   8.120961   6.950170   8.466033   6.764272
    16  N    6.866584   7.325246   6.497773   7.731871   5.640948
    17  H    7.232266   7.922065   6.700125   7.917212   5.756084
    18  C    7.089974   7.336986   6.758020   8.068943   6.274823
    19  H    6.449431   6.604246   6.254209   7.451654   5.746462
    20  H    8.124475   8.339791   7.835971   9.103147   7.231346
    21  H    7.114640   7.314307   6.648524   8.123481   6.602890
    22  C    6.709147   7.236483   6.537557   7.477632   5.079394
    23  H    7.644545   8.118430   7.546254   8.413012   5.972714
    24  H    5.868044   6.335376   5.823941   6.654307   4.312451
    25  H    6.757433   7.427639   6.550218   7.406457   4.869530
    26  C    3.895528   4.717043   2.922172   4.155131   3.990990
    27  O    3.994526   4.600113   2.926424   4.267425   4.770729
    28  N    4.746812   5.566065   3.824800   5.161596   4.307241
    29  H    3.524469   4.494653   2.764664   3.557094   3.327649
    30  C    5.264331   6.201603   4.553989   5.601180   4.080927
    31  H    6.281486   7.236098   5.544546   6.534923   5.069680
    32  H    5.499439   6.365604   4.865944   5.991085   4.125060
    33  H    4.768569   5.792409   4.218987   4.950930   3.332302
    34  C    5.711802   6.361021   4.713391   6.273780   5.511602
    35  H    6.625861   7.303506   5.602591   7.088617   6.403591
    36  H    5.447247   5.940076   4.397259   6.080288   5.712149
    37  H    6.099606   6.723407   5.190573   6.766098   5.627588
    38  C    5.528169   5.213838   5.167724   6.618492   6.315281
    39  O    5.100299   4.626670   4.984337   6.182712   6.009168
    40  N    5.242971   5.023662   4.647524   6.275831   6.223314
    41  H    6.474622   6.236446   6.089887   7.570642   6.978580
    42  C    4.285321   3.991933   3.646031   5.231904   5.742012
    43  H    3.516770   3.068477   3.113227   4.506615   5.128440
    44  H    4.978929   4.544718   4.364391   5.834447   6.690151
    45  H    4.034107   3.997198   3.173557   4.889622   5.357652
    46  C    6.220320   6.175083   5.453137   7.198440   6.941911
    47  H    7.002894   6.960077   6.303155   8.020547   7.489402
    48  H    5.888337   6.033860   5.021943   6.804602   6.383770
    49  H    6.790123   6.678169   5.971149   7.711960   7.754180
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794910   0.000000
    13  H    1.790995   1.798346   0.000000
    14  C    5.572688   5.385449   6.936533   0.000000
    15  O    6.245478   6.305782   7.759937   1.242801   0.000000
    16  N    5.480416   4.909360   6.615559   1.360994   2.315742
    17  H    5.292306   5.143073   6.607972   1.108287   2.057564
    18  C    6.216002   5.607450   7.309061   2.468423   2.862001
    19  H    5.847573   5.085714   6.770515   3.269013   3.775010
    20  H    7.228231   6.486018   8.233409   3.078562   3.415203
    21  H    6.410497   6.086281   7.680458   2.572638   2.475700
    22  C    5.125072   4.159086   5.928049   2.466620   3.636259
    23  H    6.121278   4.982577   6.757754   3.171047   4.275268
    24  H    4.531392   3.377402   5.175544   3.199302   4.281611
    25  H    4.808302   3.957144   5.617413   2.551180   3.792790
    26  C    2.948195   4.594134   4.580972   5.660934   5.772228
    27  O    3.838290   5.473696   5.357181   6.417888   6.351686
    28  N    3.270364   4.602378   5.029450   4.484788   4.569772
    29  H    2.278127   4.043287   3.717590   6.097469   6.405321
    30  C    3.111769   4.133016   4.704989   4.067834   4.461464
    31  H    4.096611   5.103528   5.582717   4.480539   4.769261
    32  H    3.340220   3.906648   4.883047   3.026547   3.578345
    33  H    2.377159   3.476252   3.784810   4.777775   5.343518
    34  C    4.554631   5.695982   6.343743   4.140083   3.829243
    35  H    5.388138   6.612613   7.152519   4.780448   4.346496
    36  H    4.818315   5.995097   6.585883   4.675692   4.247839
    37  H    4.778198   5.601374   6.537939   3.094733   2.734773
    38  C    6.263348   6.267519   7.352525   5.561588   5.411476
    39  O    6.159123   5.976201   6.974570   6.231410   6.286986
    40  N    5.955571   6.343738   7.251866   5.529483   5.211984
    41  H    6.910539   6.787989   8.047581   5.226670   4.984813
    42  C    5.438742   6.109429   6.667043   6.333697   6.116350
    43  H    5.008152   5.523318   6.006513   6.577137   6.558149
    44  H    6.379420   7.130165   7.556398   7.321532   6.999545
    45  H    4.866237   5.799686   6.262215   5.987832   5.754880
    46  C    6.490326   7.011429   7.993474   5.081682   4.464106
    47  H    7.098877   7.408382   8.573487   4.799337   4.099734
    48  H    5.804501   6.466076   7.421934   4.420582   3.804627
    49  H    7.247799   7.923897   8.768498   6.042394   5.312656
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057181   0.000000
    18  C    1.465405   3.417340   0.000000
    19  H    2.098784   4.091074   1.101067   0.000000
    20  H    2.121956   3.986507   1.102837   1.790757   0.000000
    21  H    2.101786   3.650752   1.097465   1.797653   1.797436
    22  C    1.463330   2.561605   2.492610   2.611893   2.937253
    23  H    2.115853   3.296126   2.810245   2.949709   2.837180
    24  H    2.106387   3.358136   2.724209   2.384038   3.326525
    25  H    2.104898   2.156958   3.418607   3.627165   3.897425
    26  C    6.141765   5.482833   6.800677   6.759172   7.876361
    27  O    6.878389   6.397845   7.332708   7.252344   8.419850
    28  N    5.149509   4.252091   5.943382   6.086752   6.970836
    29  H    6.461168   5.788845   7.217990   7.085037   8.285441
    30  C    4.746396   3.506015   5.832366   6.032721   6.778081
    31  H    5.361192   3.775237   6.531600   6.863053   7.404722
    32  H    3.680889   2.450488   4.843170   5.109450   5.745494
    33  H    5.232779   4.166326   6.328369   6.372174   7.283005
    34  C    5.004330   4.141416   5.628318   5.954221   6.601292
    35  H    5.809700   4.671883   6.497141   6.923554   7.407034
    36  H    5.381606   4.887237   5.740965   5.967634   6.741083
    37  H    4.049379   3.189001   4.710205   5.166128   5.628262
    38  C    5.058066   6.429638   4.133246   3.635204   4.886625
    39  O    5.531550   7.020742   4.633030   3.871816   5.354804
    40  N    5.342272   6.319254   4.679690   4.391992   5.553917
    41  H    4.700440   6.205062   3.568938   3.232487   4.158132
    42  C    6.209481   6.949305   5.775647   5.391631   6.740448
    43  H    6.270130   7.138518   5.850857   5.281914   6.820490
    44  H    7.237837   7.961901   6.726526   6.358234   7.643288
    45  H    6.062253   6.478955   5.874371   5.617542   6.903209
    46  C    5.206867   5.908619   4.632989   4.692070   5.450623
    47  H    4.860662   5.752614   4.090298   4.277476   4.751979
    48  H    4.756769   5.125378   4.493840   4.666867   5.402904
    49  H    6.265669   6.837915   5.695589   5.775814   6.466307
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389252   0.000000
    23  H    3.840650   1.102437   0.000000
    24  H    3.598668   1.102451   1.790140   0.000000
    25  H    4.174111   1.098889   1.797417   1.794963   0.000000
    26  C    6.531893   6.445221   7.546955   6.184535   6.129668
    27  O    6.920251   7.323804   8.422224   7.010415   7.133432
    28  N    5.676455   5.567020   6.655353   5.511153   5.195873
    29  H    7.102094   6.516892   7.599525   6.173629   6.109284
    30  C    5.799298   4.890797   5.932307   4.962119   4.277818
    31  H    6.468402   5.546673   6.522134   5.779005   4.819695
    32  H    4.897365   3.846519   4.877035   4.029875   3.257334
    33  H    6.424006   5.093485   6.117015   5.000711   4.425003
    34  C    5.128534   5.781600   6.821008   5.881128   5.555133
    35  H    5.962180   6.610584   7.616854   6.815610   6.288314
    36  H    5.110332   6.246782   7.283272   6.223097   6.184158
    37  H    4.226667   4.948517   5.937685   5.183764   4.776662
    38  C    3.595006   5.841636   6.480491   5.347715   6.593079
    39  O    4.355567   6.039262   6.627467   5.350298   6.818388
    40  N    3.969249   6.237851   7.026021   5.829851   6.817742
    41  H    2.936614   5.631589   6.148787   5.295845   6.467278
    42  C    5.178552   6.922102   7.810606   6.392131   7.361182
    43  H    5.438299   6.770370   7.635455   6.089437   7.228453
    44  H    6.055617   8.000463   8.870845   7.477177   8.452226
    45  H    5.273514   6.776656   7.749623   6.326470   7.062159
    46  C    3.697072   6.348246   7.139262   6.187582   6.851201
    47  H    3.064476   6.112250   6.777834   6.061323   6.717385
    48  H    3.612394   5.885662   6.766266   5.803060   6.235573
    49  H    4.719458   7.431040   8.227382   7.279246   7.898839
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242561   0.000000
    28  N    1.361036   2.314343   0.000000
    29  H    1.107890   2.057759   2.057488   0.000000
    30  C    2.467914   3.635884   1.463566   2.565713   0.000000
    31  H    3.130097   4.220852   2.116509   3.252553   1.103061
    32  H    3.238719   4.329048   2.107809   3.405629   1.102033
    33  H    2.558999   3.801215   2.104072   2.170432   1.098758
    34  C    2.462615   2.850164   1.464994   3.413783   2.495800
    35  H    3.025058   3.321012   2.124042   3.945169   2.953611
    36  H    2.586139   2.501718   2.101032   3.658960   3.388106
    37  H    3.292018   3.807409   2.097715   4.113762   2.610567
    38  C    6.248026   6.085045   6.109775   6.834075   6.857993
    39  O    6.609282   6.476223   6.629531   7.027247   7.298829
    40  N    5.354304   5.026706   5.285183   6.079064   6.251283
    41  H    6.872764   6.796959   6.532997   7.504504   7.173750
    42  C    4.689713   4.146231   4.988714   5.351878   6.112992
    43  H    4.829423   4.406585   5.249318   5.283617   6.237827
    44  H    5.400758   4.650664   5.807785   6.096853   7.031087
    45  H    3.681162   3.088553   4.021266   4.434506   5.248871
    46  C    5.380116   5.064584   5.058192   6.274830   6.057016
    47  H    6.198585   6.016794   5.697692   7.067268   6.522287
    48  H    4.479063   4.278336   4.031908   5.416543   5.037758
    49  H    5.805424   5.280007   5.603050   6.768111   6.742481
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787753   0.000000
    33  H    1.799302   1.795043   0.000000
    34  C    2.821265   2.722801   3.419106   0.000000
    35  H    2.865073   3.336682   3.912918   1.103469   0.000000
    36  H    3.850227   3.591529   4.168206   1.097428   1.795982
    37  H    2.953973   2.379019   3.623176   1.099463   1.790958
    38  C    7.784434   6.387624   7.231636   5.752713   6.734412
    39  O    8.305150   6.850995   7.498616   6.517721   7.555371
    40  N    7.116746   5.946239   6.705025   4.805887   5.721806
    41  H    8.032552   6.574093   7.649098   6.017617   6.950009
    42  C    7.011232   6.047301   6.416771   4.763305   5.660158
    43  H    7.224853   6.160103   6.366510   5.302501   6.274072
    44  H    7.877601   7.038474   7.347237   5.492669   6.277261
    45  H    6.093744   5.314621   5.589548   3.816697   4.676370
    46  C    6.754888   5.736402   6.723389   4.201648   4.956910
    47  H    7.181151   6.038634   7.241794   4.768440   5.490912
    48  H    5.685547   4.767286   5.767320   3.105615   3.873947
    49  H    7.367638   6.544047   7.431510   4.646751   5.240984
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795417   0.000000
    38  C    5.107734   5.458991   0.000000
    39  O    5.911277   6.282106   1.243306   0.000000
    40  N    4.009948   4.691998   1.360853   2.314390   0.000000
    41  H    5.460789   5.545729   1.108375   2.058188   2.058783
    42  C    3.868501   4.964529   2.470083   2.861995   1.465656
    43  H    4.532752   5.486666   2.571477   2.462596   2.104684
    44  H    4.495686   5.784803   3.096973   3.453584   2.119350
    45  H    2.900760   4.179552   3.258830   3.750195   2.100799
    46  C    3.405307   3.999673   2.466646   3.633618   1.463460
    47  H    4.138635   4.329912   2.554476   3.796505   2.105928
    48  H    2.366991   2.921782   3.147104   4.217751   2.109039
    49  H    3.717094   4.615505   3.219498   4.325977   2.111536
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419762   0.000000
    43  H    3.654056   1.097729   0.000000
    44  H    3.996012   1.102447   1.797136   0.000000
    45  H    4.087743   1.100935   1.796306   1.790374   0.000000
    46  C    2.566045   2.488238   3.386448   2.935513   2.603350
    47  H    2.163887   3.418148   4.186518   3.869556   3.642762
    48  H    3.294475   2.762381   3.615440   3.390337   2.433934
    49  H    3.367077   2.756824   3.799367   2.791381   2.858207
                   46         47         48         49
    46  C    0.000000
    47  H    1.098624   0.000000
    48  H    1.103546   1.795999   0.000000
    49  H    1.101791   1.796447   1.791404   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2163289      0.1957626      0.1842409
 Leave Link  202 at Mon Nov 14 05:19:52 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.5438168233 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854061666 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.3584106567 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4044
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.34D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     235
 GePol: Fraction of low-weight points (<1% of avg)   =       5.81%
 GePol: Cavity surface area                          =    468.261 Ang**2
 GePol: Cavity volume                                =    458.613 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040445966 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.3543660601 Hartrees.
 Leave Link  301 at Mon Nov 14 05:19:52 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11993 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   446   446   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:19:53 2016, MaxMem=  2952790016 cpu:        13.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:19:53 2016, MaxMem=  2952790016 cpu:         1.0
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.005620    0.002694    0.003363
         Rot=    1.000000   -0.000218   -0.000228   -0.000062 Ang=  -0.04 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50883297497    
 Leave Link  401 at Mon Nov 14 05:20:00 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49061808.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.21D-15 for   3173.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.53D-15 for   1828   1015.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   3624.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.67D-09 for   1804   1376.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.07D-14 for    145.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.96D-14 for   1965    666.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.89D-15 for   2121.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.10D-16 for   1844    952.
 E= -1013.45087105775    
 DIIS: error= 4.68D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45087105775     IErMin= 1 ErrMin= 4.68D-04
 ErrMax= 4.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-04 BMatP= 3.87D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.68D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=6.38D-03              OVMax= 3.92D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.14D-04    CP:  1.00D+00
 E= -1013.45145064260     Delta-E=       -0.000579584855 Rises=F Damp=F
 DIIS: error= 7.32D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45145064260     IErMin= 2 ErrMin= 7.32D-05
 ErrMax= 7.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.81D-06 BMatP= 3.87D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.183D-01 0.982D+00
 Coeff:      0.183D-01 0.982D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.00D-05 MaxDP=1.43D-03 DE=-5.80D-04 OVMax= 1.60D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.94D-05    CP:  1.00D+00  9.59D-01
 E= -1013.45143521119     Delta-E=        0.000015431410 Rises=F Damp=F
 DIIS: error= 1.98D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45145064260     IErMin= 2 ErrMin= 7.32D-05
 ErrMax= 1.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-05 BMatP= 5.81D-06
 IDIUse=3 WtCom= 4.15D-01 WtEn= 5.85D-01
 Coeff-Com:  0.238D-02 0.688D+00 0.310D+00
 Coeff-En:   0.000D+00 0.764D+00 0.236D+00
 Coeff:      0.987D-03 0.732D+00 0.267D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.28D-05 MaxDP=1.10D-03 DE= 1.54D-05 OVMax= 1.24D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.15D-06    CP:  1.00D+00  9.68D-01  4.25D-01
 E= -1013.45145549693     Delta-E=       -0.000020285741 Rises=F Damp=F
 DIIS: error= 2.67D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45145549693     IErMin= 4 ErrMin= 2.67D-05
 ErrMax= 2.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.56D-07 BMatP= 5.81D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.218D-04 0.275D+00 0.124D+00 0.601D+00
 Coeff:     -0.218D-04 0.275D+00 0.124D+00 0.601D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.04D-06 MaxDP=1.33D-04 DE=-2.03D-05 OVMax= 1.92D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.82D-06    CP:  1.00D+00  9.74D-01  3.88D-01  6.41D-01
 E= -1013.45145578781     Delta-E=       -0.000000290878 Rises=F Damp=F
 DIIS: error= 2.09D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45145578781     IErMin= 5 ErrMin= 2.09D-05
 ErrMax= 2.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-07 BMatP= 4.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.984D-05 0.149D+00 0.665D-01 0.407D+00 0.378D+00
 Coeff:     -0.984D-05 0.149D+00 0.665D-01 0.407D+00 0.378D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.35D-07 MaxDP=5.65D-05 DE=-2.91D-07 OVMax= 7.90D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.67D-07    CP:  1.00D+00  9.74D-01  3.82D-01  6.62D-01  6.04D-01
 E= -1013.45145592398     Delta-E=       -0.000000136171 Rises=F Damp=F
 DIIS: error= 1.28D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45145592398     IErMin= 6 ErrMin= 1.28D-06
 ErrMax= 1.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-09 BMatP= 1.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-04 0.410D-01 0.185D-01 0.123D+00 0.148D+00 0.670D+00
 Coeff:     -0.133D-04 0.410D-01 0.185D-01 0.123D+00 0.148D+00 0.670D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.57D-07 MaxDP=8.18D-06 DE=-1.36D-07 OVMax= 7.69D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.31D-07    CP:  1.00D+00  9.74D-01  3.84D-01  6.67D-01  6.06D-01
                    CP:  8.76D-01
 E= -1013.45145592508     Delta-E=       -0.000000001103 Rises=F Damp=F
 DIIS: error= 5.67D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45145592508     IErMin= 7 ErrMin= 5.67D-07
 ErrMax= 5.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-10 BMatP= 1.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-04 0.101D-01 0.461D-02 0.334D-01 0.493D-01 0.368D+00
 Coeff-Com:  0.535D+00
 Coeff:     -0.120D-04 0.101D-01 0.461D-02 0.334D-01 0.493D-01 0.368D+00
 Coeff:      0.535D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.20D-08 MaxDP=2.51D-06 DE=-1.10D-09 OVMax= 2.41D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.59D-08    CP:  1.00D+00  9.74D-01  3.84D-01  6.67D-01  6.09D-01
                    CP:  8.86D-01  7.28D-01
 E= -1013.45145592533     Delta-E=       -0.000000000249 Rises=F Damp=F
 DIIS: error= 9.68D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45145592533     IErMin= 8 ErrMin= 9.68D-08
 ErrMax= 9.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-11 BMatP= 2.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.474D-05 0.183D-02 0.890D-03 0.673D-02 0.120D-01 0.118D+00
 Coeff-Com:  0.235D+00 0.625D+00
 Coeff:     -0.474D-05 0.183D-02 0.890D-03 0.673D-02 0.120D-01 0.118D+00
 Coeff:      0.235D+00 0.625D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.59D-08 MaxDP=6.74D-07 DE=-2.49D-10 OVMax= 1.29D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.32D-08    CP:  1.00D+00  9.74D-01  3.84D-01  6.67D-01  6.10D-01
                    CP:  8.89D-01  7.23D-01  7.79D-01
 E= -1013.45145592532     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 1.24D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1013.45145592533     IErMin= 8 ErrMin= 9.68D-08
 ErrMax= 1.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.19D-12 BMatP= 1.12D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.274D-05 0.573D-03 0.307D-03 0.239D-02 0.514D-02 0.591D-01
 Coeff-Com:  0.136D+00 0.486D+00 0.311D+00
 Coeff:     -0.274D-05 0.573D-03 0.307D-03 0.239D-02 0.514D-02 0.591D-01
 Coeff:      0.136D+00 0.486D+00 0.311D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.19D-09 MaxDP=4.43D-07 DE= 1.32D-11 OVMax= 8.93D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45145593     A.U. after    9 cycles
            NFock=  9  Conv=0.82D-08     -V/T= 2.0213
 KE= 9.923534524327D+02 PE=-6.034221270028D+03 EE= 2.177061995610D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:21:53 2016, MaxMem=  2952790016 cpu:      1296.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11993 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     370
 Leave Link  701 at Mon Nov 14 05:22:02 2016, MaxMem=  2952790016 cpu:        96.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:22:02 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:22:39 2016, MaxMem=  2952790016 cpu:       443.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.20580031D+00-2.53784776D+00 3.32838292D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000222508    0.000128460   -0.000124022
      2        6           0.000024442   -0.000002936   -0.000027853
      3        8           0.000019085    0.000042749    0.000154985
      4        7           0.000061437   -0.000058846   -0.000108668
      5        1          -0.000012349    0.000017748   -0.000002593
      6        6          -0.000025777    0.000017629    0.000178019
      7        1          -0.000024477   -0.000012962    0.000031304
      8        1          -0.000041062    0.000041557   -0.000172889
      9        1           0.000002282    0.000008217    0.000041357
     10        6           0.000012660    0.000106299    0.000029379
     11        1           0.000045148    0.000009441    0.000040619
     12        1          -0.000004676    0.000020544   -0.000038289
     13        1           0.000009842    0.000040175    0.000025159
     14        6          -0.000043660   -0.000092355   -0.000125989
     15        8          -0.000108446    0.000012770   -0.000019348
     16        7           0.000079345   -0.000027984    0.000136298
     17        1          -0.000025123    0.000039469   -0.000049365
     18        6          -0.000050605   -0.000089530    0.000191787
     19        1          -0.000049363    0.000098487   -0.000111726
     20        1          -0.000022836    0.000015430   -0.000037525
     21        1          -0.000047545   -0.000005217   -0.000077096
     22        6          -0.000001610   -0.000158740    0.000207512
     23        1          -0.000026721    0.000104859   -0.000126438
     24        1          -0.000106743    0.000173933   -0.000122241
     25        1           0.000008623   -0.000026020   -0.000100444
     26        6          -0.000058812   -0.000015366    0.000207372
     27        8           0.000093562    0.000110106   -0.000091997
     28        7          -0.000100003   -0.000030065    0.000011609
     29        1           0.000075391   -0.000041618    0.000051013
     30        6           0.000143351    0.000010922    0.000081114
     31        1          -0.000013930   -0.000077220   -0.000107999
     32        1          -0.000023785   -0.000065367   -0.000097236
     33        1          -0.000036728    0.000038558   -0.000016561
     34        6          -0.000039595    0.000015058    0.000053262
     35        1          -0.000020758   -0.000045190   -0.000012397
     36        1          -0.000029444   -0.000018118   -0.000035317
     37        1           0.000053122   -0.000031128    0.000032140
     38        6          -0.000131726   -0.000066978   -0.000406691
     39        8          -0.000044210   -0.000041349    0.000056270
     40        7           0.000200109   -0.000189616    0.000361492
     41        1          -0.000004330    0.000043789    0.000070004
     42        6          -0.000013587    0.000120594   -0.000076691
     43        1           0.000039176   -0.000028340    0.000040267
     44        1           0.000111670   -0.000008447    0.000009808
     45        1          -0.000056652   -0.000079507    0.000019408
     46        6          -0.000166180    0.000046829   -0.000001020
     47        1           0.000017908   -0.000014030    0.000067734
     48        1           0.000104670    0.000003420   -0.000055622
     49        1           0.000006402   -0.000040117    0.000048104
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000406691 RMS     0.000090904
 Leave Link  716 at Mon Nov 14 05:22:39 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000226248 RMS     0.000022013
 Search for a local minimum.
 Step number 119 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .22013D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  106  108  107  110  111
                                                    112  113  114  115  116
                                                    117  118  119
 DE= -2.06D-05 DEPred=-2.76D-05 R= 7.48D-01
 TightC=F SS=  1.41D+00  RLast= 2.30D-01 DXNew= 1.3466D-01 6.8999D-01
 Trust test= 7.48D-01 RLast= 2.30D-01 DXMaxT set to 1.35D-01
 ITU=  1 -1  0 -1  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1
 ITU=  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0
 ITU=  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00004   0.00037   0.00081   0.00102
     Eigenvalues ---    0.00120   0.00147   0.00179   0.00193   0.00206
     Eigenvalues ---    0.00235   0.00268   0.00331   0.00448   0.00467
     Eigenvalues ---    0.00563   0.00611   0.00734   0.00776   0.00847
     Eigenvalues ---    0.00854   0.00913   0.00985   0.01015   0.01098
     Eigenvalues ---    0.01157   0.01219   0.01276   0.01356   0.01452
     Eigenvalues ---    0.01571   0.01586   0.01706   0.01739   0.01775
     Eigenvalues ---    0.01789   0.01829   0.01919   0.02018   0.02076
     Eigenvalues ---    0.02230   0.02264   0.02374   0.02423   0.02474
     Eigenvalues ---    0.02538   0.02627   0.03003   0.03193   0.03300
     Eigenvalues ---    0.03746   0.04338   0.04471   0.04678   0.05555
     Eigenvalues ---    0.05571   0.05906   0.06041   0.06237   0.06284
     Eigenvalues ---    0.06519   0.06728   0.06901   0.07093   0.07275
     Eigenvalues ---    0.07630   0.07658   0.07874   0.08130   0.08261
     Eigenvalues ---    0.08393   0.08532   0.08820   0.08996   0.09195
     Eigenvalues ---    0.09299   0.09463   0.09504   0.09693   0.09944
     Eigenvalues ---    0.10146   0.10181   0.10481   0.10584   0.10867
     Eigenvalues ---    0.11119   0.11235   0.11328   0.12107   0.13039
     Eigenvalues ---    0.13469   0.14230   0.14377   0.14906   0.15113
     Eigenvalues ---    0.15391   0.15694   0.21333   0.22314   0.23062
     Eigenvalues ---    0.24353   0.24629   0.24930   0.25359   0.25946
     Eigenvalues ---    0.27308   0.27510   0.28151   0.28665   0.29390
     Eigenvalues ---    0.29903   0.31766   0.32788   0.32820   0.32866
     Eigenvalues ---    0.32986   0.33270   0.33311   0.33367   0.33375
     Eigenvalues ---    0.33397   0.33424   0.33463   0.33556   0.33720
     Eigenvalues ---    0.33809   0.33832   0.33841   0.33950   0.34020
     Eigenvalues ---    0.34066   0.34234   0.34279   0.36303   0.38584
     Eigenvalues ---    0.40749   0.51497   0.86185   0.86383   0.87420
     Eigenvalues ---    0.90438
 Eigenvalue     1 is   1.11D-05 Eigenvector:
                         D399      D381      D383      D385      D403
   1                   -0.21127  -0.21076  -0.20677  -0.20196  -0.20119
                         D397      D389      D405      D387      D395
   1                   -0.20092  -0.20063  -0.19789  -0.19661  -0.19110
 Eigenvalue     2 is   4.47D-05 Eigenvector:
                         D377      D379      D369      D371      D407
   1                   -0.13410  -0.13306  -0.12777  -0.12565  -0.12546
                         D401      D373       R16      D393      D391
   1                   -0.11666  -0.11644  -0.11642  -0.11387  -0.11302
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   119  118  117  116
 RFO step:  Lambda=-1.08480147D-06.
 NNeg= 0 NP= 4 Switch=  2.50D-03 Rises=F DC=  1.86D-04 SmlDif=  1.00D-05
 RMS Error=  0.1807104489D-03 NUsed= 4 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.44834    0.13740    0.33878    0.07547
 Iteration  1 RMS(Cart)=  0.01558321 RMS(Int)=  0.00026986
 Iteration  2 RMS(Cart)=  0.00022020 RMS(Int)=  0.00011090
 Iteration  3 RMS(Cart)=  0.00000005 RMS(Int)=  0.00011090
 ITry= 1 IFail=0 DXMaxC= 1.55D-01 DCOld= 1.00D+10 DXMaxT= 1.35D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59264  -0.00007  -0.00224  -0.01219  -0.01440   6.57824
    R2        6.24619  -0.00001  -0.00195  -0.00986  -0.01186   6.23433
    R3        7.17530  -0.00003  -0.00500  -0.00045  -0.00558   7.16972
    R4        6.22565   0.00001  -0.00575   0.01717   0.01149   6.23714
    R5        6.53024   0.00003  -0.00116  -0.00875  -0.00997   6.52027
    R6        5.96521   0.00003   0.00325  -0.04564  -0.04237   5.92284
    R7        6.68911   0.00004  -0.00099  -0.00463  -0.00563   6.68348
    R8        6.21254   0.00004   0.00027  -0.00274  -0.00259   6.20995
    R9        6.63326   0.00006   0.00090   0.00783   0.00851   6.64177
   R10        6.05389   0.00001  -0.00002  -0.03045  -0.03045   6.02344
   R11        6.93277   0.00002  -0.00063  -0.00368  -0.00430   6.92847
   R12        6.01682  -0.00001   0.00026  -0.00183  -0.00158   6.01524
   R13        6.88269   0.00007   0.00003   0.02310   0.02308   6.90578
   R14        6.19263   0.00001  -0.00062  -0.00947  -0.01010   6.18252
   R15        6.83696   0.00003  -0.00293  -0.04078  -0.04375   6.79321
   R16        5.93443   0.00003   0.00112  -0.05757  -0.05648   5.87795
   R17        6.69629   0.00001   0.00259   0.00137   0.00399   6.70027
   R18        6.54498  -0.00001  -0.00102   0.00755   0.00660   6.55159
   R19        6.22177  -0.00001  -0.00179  -0.00103  -0.00288   6.21889
   R20        6.56963  -0.00003  -0.00387   0.00638   0.00248   6.57212
   R21        6.03598  -0.00005  -0.00347  -0.02160  -0.02513   6.01086
   R22        7.03047   0.00008   0.00139  -0.02887  -0.02778   7.00269
   R23        6.05016  -0.00002   0.00286  -0.01139  -0.00828   6.04189
   R24        2.34950  -0.00008  -0.00002  -0.00024  -0.00026   2.34924
   R25        2.57204  -0.00001   0.00000   0.00069   0.00078   2.57282
   R26        2.09477   0.00000  -0.00003   0.00002  -0.00002   2.09475
   R27        2.76542   0.00002   0.00072  -0.00179  -0.00088   2.76455
   R28        2.76882  -0.00006   0.00034  -0.00130  -0.00095   2.76787
   R29        2.07661   0.00001   0.00000  -0.00021  -0.00020   2.07640
   R30        2.08310  -0.00012  -0.00021   0.00026   0.00001   2.08311
   R31        2.08257  -0.00002  -0.00014   0.00091   0.00077   2.08334
   R32        2.08077   0.00003  -0.00012   0.00175   0.00177   2.08254
   R33        2.07464   0.00001   0.00003   0.00003   0.00007   2.07470
   R34        2.08344  -0.00001  -0.00007   0.00031   0.00024   2.08368
   R35        2.34855   0.00002   0.00001   0.00020   0.00022   2.34877
   R36        2.57191  -0.00011   0.00043  -0.00077  -0.00027   2.57164
   R37        2.09436  -0.00002  -0.00004   0.00005   0.00001   2.09437
   R38        2.76921   0.00003   0.00007   0.00077   0.00130   2.77051
   R39        2.76529   0.00004   0.00049  -0.00036   0.00025   2.76554
   R40        2.08072   0.00010   0.00014   0.00081   0.00111   2.08182
   R41        2.08406   0.00001  -0.00002   0.00006   0.00004   2.08410
   R42        2.07391  -0.00006  -0.00017  -0.00021  -0.00038   2.07353
   R43        2.08330  -0.00001  -0.00003   0.00018   0.00015   2.08346
   R44        2.08333   0.00012   0.00014   0.00111   0.00125   2.08458
   R45        2.07660   0.00004   0.00006   0.00003   0.00010   2.07670
   R46        2.34810   0.00004  -0.00005  -0.00066  -0.00071   2.34739
   R47        2.57199   0.00005   0.00008   0.00088   0.00106   2.57305
   R48        2.09361  -0.00001   0.00004   0.00002   0.00006   2.09367
   R49        2.76574   0.00005   0.00036   0.00017   0.00060   2.76634
   R50        2.76844   0.00001  -0.00011   0.00000  -0.00008   2.76836
   R51        2.08448  -0.00001   0.00000  -0.00003  -0.00003   2.08445
   R52        2.08254   0.00004  -0.00012   0.00097   0.00093   2.08347
   R53        2.07635   0.00001   0.00002   0.00044   0.00046   2.07681
   R54        2.08525  -0.00001  -0.00002   0.00010   0.00007   2.08533
   R55        2.07384   0.00001   0.00004   0.00015   0.00019   2.07403
   R56        2.07768  -0.00004   0.00000  -0.00018  -0.00018   2.07750
   R57        2.34951  -0.00005  -0.00033   0.00120   0.00087   2.35038
   R58        2.57164   0.00023   0.00095  -0.00179  -0.00087   2.57077
   R59        2.09452   0.00000   0.00000   0.00004   0.00004   2.09457
   R60        2.76969   0.00011   0.00047  -0.00082  -0.00038   2.76930
   R61        2.76554  -0.00005   0.00009  -0.00162  -0.00145   2.76409
   R62        2.07441  -0.00003  -0.00010   0.00003  -0.00007   2.07433
   R63        2.08332  -0.00002   0.00007  -0.00091  -0.00085   2.08247
   R64        2.08047  -0.00005   0.00028  -0.00119  -0.00079   2.07967
   R65        2.07610  -0.00001  -0.00003   0.00007   0.00003   2.07613
   R66        2.08540   0.00006   0.00014   0.00017   0.00068   2.08608
   R67        2.08208   0.00002  -0.00003   0.00092   0.00088   2.08297
    A1        0.68564   0.00000   0.00045   0.00073   0.00123   0.68687
    A2        0.96322  -0.00002   0.00059   0.00225   0.00280   0.96602
    A3        0.72713   0.00000   0.00024   0.00121   0.00146   0.72859
    A4        1.02014   0.00000   0.00015   0.00354   0.00367   1.02381
    A5        2.37489  -0.00001   0.00150   0.00724   0.00839   2.38328
    A6        2.04225   0.00001   0.00055   0.00065   0.00102   2.04327
    A7        1.97328   0.00000  -0.00089  -0.01132  -0.01230   1.96098
    A8        1.67268  -0.00001  -0.00109  -0.01073  -0.01188   1.66080
    A9        1.67972   0.00000   0.00103   0.00551   0.00648   1.68620
   A10        1.39466  -0.00002   0.00083   0.00382   0.00467   1.39933
   A11        1.73644   0.00001   0.00041   0.00551   0.00593   1.74237
   A12        2.04498   0.00001   0.00063   0.00929   0.00983   2.05481
   A13        1.95587  -0.00001   0.00077   0.01581   0.01654   1.97241
   A14        2.05325  -0.00001   0.00208   0.01723   0.01924   2.07249
   A15        2.43538   0.00001   0.00039   0.00410   0.00422   2.43960
   A16        1.60187  -0.00001  -0.00190  -0.01715  -0.01906   1.58281
   A17        1.80016   0.00002  -0.00127  -0.01471  -0.01605   1.78411
   A18        1.57514   0.00000  -0.00065  -0.01080  -0.01157   1.56357
   A19        1.71120   0.00001   0.00035  -0.00988  -0.00970   1.70150
   A20        2.20181   0.00001  -0.00134  -0.01256  -0.01397   2.18784
   A21        2.42018   0.00000  -0.00098  -0.01595  -0.01703   2.40315
   A22        0.65131  -0.00001   0.00054  -0.00170  -0.00119   0.65012
   A23        0.66109   0.00000  -0.00009   0.00399   0.00390   0.66499
   A24        2.44592   0.00000   0.00214   0.01906   0.02102   2.46694
   A25        2.25505   0.00001   0.00089   0.00870   0.00942   2.26447
   A26        2.32566   0.00000  -0.00063  -0.00648  -0.00729   2.31837
   A27        2.04820  -0.00001  -0.00099  -0.00747  -0.00856   2.03964
   A28        1.84744   0.00000   0.00089   0.00967   0.01055   1.85799
   A29        1.60013  -0.00001   0.00058   0.00588   0.00653   1.60666
   A30        1.34165   0.00000   0.00030   0.00414   0.00444   1.34609
   A31        1.64623   0.00000   0.00047   0.00844   0.00881   1.65504
   A32        1.60496  -0.00001   0.00059   0.01616   0.01669   1.62165
   A33        1.76796  -0.00001   0.00185   0.01871   0.02050   1.78846
   A34        2.03845   0.00000   0.00029   0.00389   0.00394   2.04239
   A35        1.86996   0.00000  -0.00122  -0.01536  -0.01659   1.85337
   A36        1.93561   0.00002  -0.00043  -0.01167  -0.01220   1.92341
   A37        1.58481   0.00000  -0.00013  -0.00868  -0.00894   1.57587
   A38        1.59851   0.00001   0.00081  -0.00757  -0.00695   1.59156
   A39        2.28725   0.00001  -0.00006  -0.00777  -0.00798   2.27927
   A40        2.37905   0.00000   0.00047  -0.01313  -0.01284   2.36621
   A41        0.69508   0.00000   0.00061  -0.00062   0.00004   0.69512
   A42        0.75353   0.00001   0.00003   0.00506   0.00514   0.75867
   A43        2.71722   0.00002   0.00236   0.02301   0.02536   2.74259
   A44        2.64289   0.00002   0.00142   0.00957   0.01075   2.65364
   A45        2.65235   0.00000  -0.00060  -0.01258  -0.01334   2.63901
   A46        2.33962  -0.00001  -0.00070  -0.01246  -0.01323   2.32639
   A47        2.23330   0.00001   0.00133   0.00968   0.01105   2.24435
   A48        1.99169   0.00000   0.00106   0.00541   0.00657   1.99827
   A49        1.10156   0.00001   0.00001   0.00629   0.00629   1.10785
   A50        1.46517   0.00001   0.00014   0.00752   0.00753   1.47270
   A51        1.57830   0.00000   0.00052   0.01574   0.01616   1.59447
   A52        1.82359   0.00000   0.00160   0.01808   0.01960   1.84320
   A53        1.78237   0.00001  -0.00013   0.00034  -0.00002   1.78235
   A54        1.72916  -0.00001  -0.00066  -0.01105  -0.01175   1.71741
   A55        1.66017   0.00001  -0.00026  -0.00768  -0.00805   1.65212
   A56        1.25739  -0.00002  -0.00032  -0.00610  -0.00655   1.25083
   A57        1.21956   0.00000   0.00042  -0.00605  -0.00583   1.21373
   A58        1.94907   0.00000   0.00004  -0.00417  -0.00428   1.94479
   A59        1.99490  -0.00001   0.00020  -0.01164  -0.01162   1.98328
   A60        0.85119  -0.00002   0.00061  -0.00629  -0.00569   0.84549
   A61        0.79019  -0.00001  -0.00004  -0.00242  -0.00242   0.78777
   A62        2.64471   0.00002   0.00111   0.01260   0.01367   2.65838
   A63        2.82128   0.00000   0.00140   0.00927   0.01061   2.83189
   A64        2.59190  -0.00003  -0.00052  -0.00983  -0.01041   2.58149
   A65        2.43767   0.00000   0.00110   0.00576   0.00686   2.44453
   A66        2.23470  -0.00002   0.00095   0.00240   0.00334   2.23804
   A67        0.86425   0.00002  -0.00019   0.00173   0.00161   0.86586
   A68        1.24244   0.00002  -0.00014   0.00099   0.00086   1.24330
   A69        1.43597   0.00001   0.00023   0.00700   0.00720   1.44317
   A70        1.71444   0.00001   0.00101   0.00863   0.00962   1.72406
   A71        1.51963   0.00002  -0.00035  -0.00433  -0.00469   1.51495
   A72        1.74059   0.00000   0.00012   0.00092   0.00103   1.74163
   A73        1.56646   0.00001   0.00035   0.00322   0.00359   1.57005
   A74        1.13613  -0.00001   0.00010   0.00375   0.00387   1.14001
   A75        1.02169   0.00001   0.00062   0.00152   0.00216   1.02384
   A76        1.77796   0.00001   0.00060   0.00455   0.00519   1.78315
   A77        1.76717   0.00001   0.00055  -0.00608  -0.00547   1.76170
   A78        2.05062   0.00001   0.00203   0.02167   0.02361   2.07424
   A79        1.98147   0.00002   0.00089   0.01461   0.01541   1.99688
   A80        2.24319   0.00002  -0.00023   0.00469   0.00428   2.24747
   A81        2.08124   0.00000  -0.00095   0.00201   0.00092   2.08217
   A82        1.58656   0.00002   0.00048   0.01200   0.01250   1.59906
   A83        1.41190   0.00001   0.00006   0.00697   0.00709   1.41898
   A84        1.19327   0.00000   0.00042  -0.00011   0.00032   1.19359
   A85        1.38751   0.00000   0.00060   0.00743   0.00796   1.39547
   A86        1.22917   0.00000   0.00054   0.01440   0.01491   1.24407
   A87        1.34840  -0.00001   0.00178   0.01764   0.01937   1.36777
   A88        1.81325   0.00000   0.00042   0.00705   0.00726   1.82051
   A89        2.29983  -0.00001  -0.00124  -0.01534  -0.01659   2.28324
   A90        2.34740   0.00001   0.00007  -0.00965  -0.00972   2.33769
   A91        1.95218  -0.00002   0.00032  -0.00655  -0.00634   1.94584
   A92        1.87254  -0.00001   0.00125  -0.00432  -0.00324   1.86931
   A93        2.62897  -0.00001   0.00112  -0.00215  -0.00126   2.62771
   A94        2.56590  -0.00002   0.00184  -0.00536  -0.00374   2.56216
   A95        1.96392   0.00001   0.00232   0.01799   0.02022   1.98414
   A96        2.03340   0.00001   0.00140   0.01202   0.01331   2.04671
   A97        2.40078   0.00001   0.00065   0.00596   0.00640   2.40718
   A98        2.33306   0.00001  -0.00039   0.00260   0.00203   2.33509
   A99        1.69385   0.00002   0.00071   0.00725   0.00793   1.70178
   A100       1.59226   0.00002   0.00026   0.00220   0.00244   1.59470
   A101       0.88635   0.00000   0.00016   0.00077   0.00097   0.88732
   A102       1.06588   0.00000   0.00051   0.00703   0.00751   1.07339
   A103       0.94544  -0.00001   0.00066   0.01234   0.01296   0.95840
   A104       1.11824  -0.00001   0.00191   0.01424   0.01608   1.13432
   A105       1.49131   0.00000   0.00032   0.00661   0.00683   1.49814
   A106       2.48127   0.00000  -0.00077  -0.00679  -0.00769   2.47359
   A107       2.35391   0.00000   0.00045   0.00202   0.00238   2.35629
   A108       1.92096  -0.00002   0.00019   0.00269   0.00285   1.92382
   A109       1.74592  -0.00001   0.00088   0.00430   0.00516   1.75108
   A110       2.46535  -0.00001   0.00158   0.00886   0.01045   2.47580
   A111       2.30068  -0.00002   0.00184   0.00182   0.00370   2.30438
   A112       0.71539  -0.00001   0.00001   0.00033   0.00043   0.71582
   A113       1.00772   0.00000   0.00005   0.00152   0.00158   1.00930
   A114       0.69761  -0.00001   0.00029   0.00012   0.00043   0.69804
   A115       0.98661   0.00001   0.00035   0.00050   0.00087   0.98748
   A116       1.81567   0.00002   0.00056   0.00722   0.00773   1.82341
   A117       1.43438   0.00001   0.00053   0.00896   0.00946   1.44383
   A118       1.20874   0.00002   0.00094   0.00560   0.00654   1.21528
   A119       0.93334   0.00002   0.00032   0.00447   0.00477   0.93810
   A120       1.24850   0.00001  -0.00019   0.01120   0.01097   1.25947
   A121       1.83513  -0.00001  -0.00172  -0.01254  -0.01420   1.82093
   A122       1.88508  -0.00002  -0.00209  -0.01175  -0.01388   1.87120
   A123       2.25207   0.00001  -0.00198  -0.00960  -0.01170   2.24037
   A124       2.18990   0.00000  -0.00227  -0.00157  -0.00402   2.18588
   A125       1.55002  -0.00001  -0.00210  -0.01126  -0.01344   1.53658
   A126       1.42743   0.00000  -0.00187   0.00016  -0.00169   1.42574
   A127       0.65801   0.00001   0.00001   0.00259   0.00262   0.66063
   A128       0.66231   0.00002   0.00009   0.00024   0.00034   0.66265
   A129       2.17720   0.00000   0.00040   0.00587   0.00623   2.18343
   A130       1.80360   0.00000   0.00036   0.00818   0.00852   1.81212
   A131       1.51320   0.00000   0.00039   0.00396   0.00438   1.51758
   A132       1.21870   0.00000  -0.00002   0.00270   0.00267   1.22137
   A133       1.64292  -0.00001  -0.00004   0.01143   0.01135   1.65427
   A134       1.69321  -0.00002  -0.00156  -0.01301  -0.01454   1.67867
   A135       1.89480  -0.00002  -0.00180  -0.01304  -0.01489   1.87992
   A136       2.32575   0.00000  -0.00154  -0.01314  -0.01474   2.31101
   A137       2.41811  -0.00002  -0.00198  -0.00601  -0.00817   2.40994
   A138       1.67163  -0.00001  -0.00191  -0.01118  -0.01318   1.65845
   A139       1.64538  -0.00001  -0.00164   0.00220   0.00051   1.64589
   A140       0.70788   0.00000   0.00005  -0.00040  -0.00027   0.70761
   A141       0.83288   0.00000  -0.00014  -0.00097  -0.00104   0.83184
   A142       2.51172   0.00000   0.00085   0.00934   0.01017   2.52189
   A143       2.13303   0.00000   0.00085   0.01037   0.01124   2.14427
   A144       1.91645   0.00001   0.00068   0.00509   0.00584   1.92229
   A145       1.62858   0.00000   0.00008   0.00351   0.00366   1.63223
   A146       1.84767  -0.00001   0.00077   0.01335   0.01410   1.86177
   A147       1.26874  -0.00002  -0.00146  -0.01245  -0.01398   1.25477
   A148       1.51618  -0.00001  -0.00155  -0.01217  -0.01385   1.50233
   A149       1.94630   0.00001  -0.00121  -0.01301  -0.01434   1.93195
   A150       2.13467  -0.00001  -0.00146  -0.00855  -0.01020   2.12447
   A151       1.38994  -0.00001  -0.00163  -0.00900  -0.01075   1.37919
   A152       1.46484   0.00000  -0.00130   0.00514   0.00368   1.46852
   A153       0.76847  -0.00001   0.00012   0.00512   0.00529   0.77376
   A154       0.76496  -0.00001  -0.00013   0.00499   0.00494   0.76990
   A155       2.82252   0.00001   0.00068   0.00886   0.00950   2.83203
   A156       2.44071   0.00001   0.00067   0.01046   0.01112   2.45183
   A157       2.16830   0.00001   0.00026   0.00653   0.00685   2.17515
   A158       1.87265   0.00001  -0.00009   0.00530   0.00525   1.87790
   A159       2.16089   0.00001   0.00081   0.01142   0.01213   2.17302
   A160       1.15103  -0.00002  -0.00130  -0.01639  -0.01777   1.13327
   A161       1.48473   0.00000  -0.00125  -0.01671  -0.01807   1.46666
   A162       1.87729   0.00001  -0.00084  -0.01801  -0.01895   1.85835
   A163       2.14358   0.00000  -0.00095  -0.01611  -0.01720   2.12638
   A164       1.48307   0.00000  -0.00139  -0.01283  -0.01433   1.46874
   A165       1.63257   0.00001  -0.00112   0.00054  -0.00080   1.63177
   A166       2.15847   0.00002  -0.00028   0.00045   0.00015   2.15862
   A167       1.85726   0.00001  -0.00038   0.00419   0.00382   1.86108
   A168       1.47160   0.00001  -0.00052   0.00034  -0.00014   1.47146
   A169       1.19180   0.00000  -0.00046  -0.00066  -0.00111   1.19068
   A170       1.85985   0.00001  -0.00071   0.00861   0.00787   1.86773
   A171       1.91896  -0.00003  -0.00125  -0.01136  -0.01258   1.90638
   A172       2.22037  -0.00001  -0.00145  -0.01229  -0.01375   2.20662
   A173       2.64035   0.00000  -0.00095  -0.01311  -0.01405   2.62630
   A174       2.06716  -0.00001  -0.00175  -0.01059  -0.01240   2.05477
   A175       2.05483   0.00000  -0.00153   0.00229   0.00073   2.05555
   A176       2.26540   0.00003  -0.00040  -0.00240  -0.00283   2.26257
   A177       2.04326   0.00003  -0.00048   0.00250   0.00202   2.04528
   A178       1.63140   0.00002  -0.00071  -0.00086  -0.00154   1.62985
   A179       1.38167   0.00001  -0.00035  -0.00143  -0.00178   1.37989
   A180       2.12596   0.00003  -0.00074   0.00806   0.00728   2.13323
   A181       1.86829  -0.00004  -0.00124  -0.00990  -0.01112   1.85717
   A182       2.24019  -0.00001  -0.00127  -0.01099  -0.01226   2.22793
   A183       2.57139  -0.00001  -0.00039  -0.01072  -0.01111   2.56029
   A184       2.21921  -0.00001  -0.00175  -0.00950  -0.01127   2.20793
   A185       2.28068   0.00001  -0.00155   0.00340   0.00178   2.28247
   A186       0.69365   0.00001   0.00018   0.00073   0.00085   0.69449
   A187       0.98547   0.00001   0.00032   0.00212   0.00240   0.98788
   A188       0.69909   0.00000  -0.00003  -0.00181  -0.00182   0.69727
   A189       2.14847   0.00001   0.00159   0.01248   0.01413   2.16260
   A190       1.76223  -0.00002   0.00154   0.01381   0.01543   1.77766
   A191       1.43780  -0.00002   0.00086   0.01319   0.01413   1.45193
   A192       1.13049  -0.00001   0.00088   0.01370   0.01465   1.14514
   A193       1.63871  -0.00001   0.00198   0.01269   0.01472   1.65343
   A194       1.42216  -0.00002   0.00187   0.00327   0.00528   1.42745
   A195       0.66803   0.00001   0.00001   0.00458   0.00461   0.67264
   A196       2.26917   0.00002   0.00166   0.00784   0.00955   2.27872
   A197       1.86971  -0.00002   0.00139   0.00829   0.00974   1.87945
   A198       1.66144  -0.00002   0.00069   0.00775   0.00849   1.66993
   A199       1.34090  -0.00001   0.00043   0.00878   0.00925   1.35015
   A200       1.61205  -0.00001   0.00176   0.00676   0.00855   1.62059
   A201       1.34329  -0.00002   0.00168   0.00102   0.00285   1.34614
   A202       0.71166   0.00001  -0.00002   0.00313   0.00312   0.71478
   A203       2.63774   0.00003   0.00174   0.00674   0.00847   2.64621
   A204       2.25994  -0.00002   0.00151   0.00849   0.01000   2.26994
   A205       2.07682  -0.00001   0.00094   0.01096   0.01191   2.08873
   A206       1.75612   0.00000   0.00072   0.01194   0.01266   1.76877
   A207       1.94167   0.00000   0.00170   0.00459   0.00625   1.94792
   A208       1.65893   0.00000   0.00164   0.00157   0.00337   1.66229
   A209       0.83092   0.00002  -0.00087   0.00612   0.00528   0.83620
   A210       2.62779   0.00003  -0.00024  -0.00047  -0.00079   2.62700
   A211       2.35851  -0.00001  -0.00002   0.00433   0.00425   2.36276
   A212       2.30454   0.00000   0.00018   0.00965   0.00983   2.31437
   A213       1.99084   0.00001  -0.00006   0.01164   0.01159   2.00243
   A214       1.97563   0.00001   0.00002   0.00083   0.00079   1.97642
   A215       1.70120   0.00001   0.00008   0.00185   0.00210   1.70330
   A216       1.92622   0.00001   0.00181   0.00391   0.00584   1.93206
   A217       1.55794  -0.00003   0.00143   0.00299   0.00456   1.56250
   A218       1.49142  -0.00001   0.00068   0.00030   0.00110   1.49252
   A219       1.20052  -0.00001   0.00010   0.00150   0.00170   1.20222
   A220       1.23277  -0.00001   0.00182   0.00283   0.00476   1.23753
   A221       0.95197  -0.00002   0.00177  -0.00069   0.00125   0.95322
   A222       0.72779   0.00003   0.00050  -0.00169  -0.00120   0.72659
   A223       1.02009   0.00002   0.00061  -0.00135  -0.00076   1.01933
   A224       0.69748   0.00003   0.00006   0.00178   0.00187   0.69934
   A225       0.98063   0.00003   0.00010   0.00419   0.00424   0.98487
   A226       0.65897   0.00000   0.00033   0.00046   0.00078   0.65975
   A227       0.66096  -0.00002  -0.00016   0.00069   0.00054   0.66150
   A228       0.70293   0.00001   0.00015   0.00118   0.00135   0.70428
   A229       0.84917   0.00000  -0.00011  -0.00524  -0.00535   0.84382
   A230       0.75760   0.00000   0.00007   0.00282   0.00290   0.76050
   A231       0.78079  -0.00001  -0.00037  -0.00566  -0.00601   0.77478
   A232       1.60448  -0.00007  -0.00037  -0.00498  -0.00529   1.59919
   A233       1.85111   0.00000   0.00074   0.00504   0.00575   1.85686
   A234       2.19055  -0.00003  -0.00009   0.00001  -0.00002   2.19053
   A235       2.12953   0.00002  -0.00009   0.00072   0.00063   2.13016
   A236       1.96273   0.00000   0.00019  -0.00073  -0.00060   1.96213
   A237       2.12254  -0.00003  -0.00036   0.00212   0.00176   2.12430
   A238       2.12527   0.00002  -0.00005   0.00040   0.00030   2.12557
   A239       2.03404   0.00000   0.00032  -0.00236  -0.00199   2.03204
   A240       1.84238  -0.00004  -0.00148  -0.01794  -0.01941   1.82298
   A241       2.53059   0.00002   0.00104   0.01890   0.01994   2.55053
   A242       1.91323   0.00001  -0.00055   0.00284   0.00225   1.91547
   A243       1.91930  -0.00001   0.00021  -0.00477  -0.00475   1.91455
   A244       1.91667  -0.00001  -0.00003   0.00106   0.00120   1.91787
   A245       1.90860   0.00000  -0.00041   0.00257   0.00227   1.91087
   A246       1.90793   0.00002   0.00037  -0.00058  -0.00021   1.90772
   A247       1.89797   0.00000   0.00041  -0.00114  -0.00076   1.89721
   A248       1.29609   0.00002  -0.00234   0.02446   0.02217   1.31826
   A249       1.90526   0.00002  -0.00045   0.00519   0.00462   1.90988
   A250       1.90940  -0.00002  -0.00026   0.00167   0.00134   1.91073
   A251       1.92808  -0.00001  -0.00002  -0.00206  -0.00201   1.92607
   A252       1.90981   0.00000   0.00023  -0.00211  -0.00179   1.90802
   A253       1.89774   0.00000   0.00039  -0.00300  -0.00259   1.89515
   A254       1.91340   0.00000   0.00011   0.00029   0.00042   1.91382
   A255       1.72391  -0.00001   0.00037  -0.00558  -0.00524   1.71867
   A256       1.76620  -0.00003  -0.00142   0.00742   0.00607   1.77226
   A257       2.19088  -0.00001  -0.00017   0.00122   0.00101   2.19189
   A258       2.12969   0.00002   0.00035  -0.00199  -0.00163   2.12806
   A259       1.96239  -0.00001  -0.00019   0.00079   0.00063   1.96303
   A260       2.12330   0.00002  -0.00033   0.00233   0.00206   2.12535
   A261       2.12334   0.00002   0.00040  -0.00080  -0.00043   2.12291
   A262       2.03611  -0.00003  -0.00010  -0.00145  -0.00157   2.03454
   A263       1.34756   0.00001   0.00038   0.02924   0.02960   1.37715
   A264       1.90061  -0.00002  -0.00002   0.00292   0.00264   1.90325
   A265       1.93093   0.00001   0.00006  -0.00237  -0.00220   1.92873
   A266       1.90849  -0.00001  -0.00020   0.00169   0.00139   1.90989
   A267       1.89699   0.00000  -0.00005  -0.00157  -0.00160   1.89539
   A268       1.91467   0.00001  -0.00007   0.00081   0.00094   1.91561
   A269       1.91204   0.00000   0.00028  -0.00146  -0.00116   1.91089
   A270       2.68235  -0.00004   0.00075   0.00280   0.00350   2.68584
   A271       1.68128   0.00003  -0.00067  -0.00343  -0.00405   1.67723
   A272       1.92535  -0.00001  -0.00044   0.00242   0.00201   1.92735
   A273       1.91216   0.00001   0.00010  -0.00051  -0.00042   1.91174
   A274       1.91383   0.00001   0.00019   0.00122   0.00139   1.91521
   A275       1.89479  -0.00003   0.00004  -0.00152  -0.00148   1.89330
   A276       1.91070   0.00000  -0.00003   0.00004   0.00000   1.91070
   A277       1.90682   0.00003   0.00015  -0.00171  -0.00156   1.90526
   A278       1.81944   0.00006   0.00225   0.02502   0.02726   1.84670
   A279       1.73950   0.00005  -0.00246  -0.01596  -0.01835   1.72115
   A280       2.18882   0.00005   0.00068  -0.00035   0.00041   2.18923
   A281       2.13102  -0.00005  -0.00009   0.00055   0.00060   2.13162
   A282       1.96326   0.00000  -0.00059  -0.00019  -0.00100   1.96225
   A283       2.12487  -0.00001  -0.00015  -0.00130  -0.00156   2.12330
   A284       2.11535  -0.00002   0.00050  -0.00243  -0.00191   2.11345
   A285       2.04046   0.00003  -0.00039   0.00334   0.00303   2.04348
   A286       2.71661   0.00002   0.00424  -0.00756  -0.00342   2.71319
   A287       1.64109  -0.00002  -0.00407   0.00447   0.00043   1.64152
   A288       1.92531   0.00000   0.00044  -0.00163  -0.00113   1.92419
   A289       1.91428   0.00000  -0.00008   0.00451   0.00447   1.91875
   A290       1.91253   0.00001  -0.00028  -0.00004  -0.00028   1.91226
   A291       1.89082   0.00001  -0.00009  -0.00186  -0.00200   1.88882
   A292       1.91303   0.00000  -0.00020   0.00070   0.00045   1.91348
   A293       1.90765  -0.00003   0.00021  -0.00170  -0.00153   1.90612
   A294       1.35896  -0.00002   0.00278   0.00128   0.00405   1.36301
   A295       1.14976   0.00003  -0.00163   0.00198   0.00038   1.15014
   A296       1.93369   0.00000   0.00010   0.00150   0.00160   1.93529
   A297       1.90798  -0.00001   0.00002   0.00035   0.00032   1.90831
   A298       1.90129   0.00001  -0.00007  -0.00048  -0.00049   1.90080
   A299       1.90899   0.00002   0.00021  -0.00067  -0.00045   1.90854
   A300       1.89853  -0.00003  -0.00018  -0.00021  -0.00039   1.89814
   A301       1.91326   0.00000  -0.00009  -0.00051  -0.00062   1.91264
   A302       1.62211   0.00001  -0.00224   0.01945   0.01729   1.63939
   A303       1.82094   0.00005   0.00376  -0.02087  -0.01712   1.80382
   A304       2.18808   0.00005  -0.00017   0.00126   0.00112   2.18920
   A305       2.12987  -0.00002   0.00052  -0.00179  -0.00119   2.12868
   A306       1.96484  -0.00003  -0.00033   0.00047   0.00004   1.96488
   A307       2.12557  -0.00009   0.00007  -0.00240  -0.00238   2.12319
   A308       2.12339   0.00004  -0.00013   0.00282   0.00276   2.12615
   A309       2.03001   0.00005   0.00009  -0.00080  -0.00074   2.02927
   A310       1.30437  -0.00003  -0.00024   0.01018   0.00996   1.31433
   A311       3.04524  -0.00001   0.00062  -0.01720  -0.01662   3.02863
   A312       1.91193   0.00002   0.00019  -0.00205  -0.00186   1.91008
   A313       1.92739  -0.00001  -0.00061   0.00586   0.00539   1.93278
   A314       1.90322  -0.00007  -0.00022  -0.00160  -0.00192   1.90131
   A315       1.91173   0.00004  -0.00029   0.00300   0.00265   1.91438
   A316       1.91237   0.00001   0.00052  -0.00264  -0.00207   1.91030
   A317       1.89705   0.00000   0.00043  -0.00266  -0.00228   1.89478
   A318       1.78851   0.00003  -0.00108  -0.02689  -0.02800   1.76051
   A319       1.91538   0.00002   0.00009   0.00089   0.00109   1.91648
   A320       1.91453  -0.00008  -0.00067   0.00121   0.00034   1.91487
   A321       1.91985   0.00004   0.00049   0.00033   0.00085   1.92070
   A322       1.90739   0.00004  -0.00032   0.00255   0.00222   1.90961
   A323       1.91034  -0.00003   0.00026  -0.00257  -0.00232   1.90802
   A324       1.89618   0.00001   0.00014  -0.00242  -0.00221   1.89397
   A325       2.93650  -0.00001  -0.00030  -0.00907  -0.00950   2.92700
   A326       3.39091   0.00001   0.00138  -0.00437  -0.00322   3.38770
   A327       3.10586  -0.00001   0.00119  -0.00607  -0.00503   3.10083
   A328       3.20949   0.00002  -0.00222   0.02476   0.02259   3.23208
   A329       3.25960   0.00001   0.00066   0.02778   0.02844   3.28804
   A330       3.26795   0.00000   0.00299   0.00061   0.00360   3.27155
   A331       3.69885  -0.00001  -0.00082  -0.02946  -0.03033   3.66852
   A332       3.27167   0.00001   0.00088   0.00696   0.00774   3.27941
   A333       2.94377  -0.00001  -0.00107  -0.01663  -0.01771   2.92606
   A334       2.88632  -0.00002  -0.00058  -0.01049  -0.01107   2.87525
   A335       3.22830  -0.00001  -0.00164   0.01015   0.00848   3.23678
   A336       3.07879  -0.00001  -0.00018  -0.00747  -0.00755   3.07123
   A337       3.10355   0.00000  -0.00047   0.00228   0.00183   3.10538
   A338       3.05342  -0.00002   0.00067  -0.00137  -0.00066   3.05276
    D1        2.75865   0.00002   0.00055  -0.00003   0.00061   2.75926
    D2       -1.35735   0.00001   0.00049   0.00008   0.00065  -1.35670
    D3        2.78608   0.00001   0.00033  -0.00945  -0.00906   2.77702
    D4       -1.32992   0.00000   0.00027  -0.00934  -0.00901  -1.33893
    D5        1.65556   0.00002  -0.00001   0.00247   0.00249   1.65805
    D6       -2.46044   0.00001  -0.00007   0.00258   0.00254  -2.45790
    D7        1.83260   0.00001   0.00060  -0.00437  -0.00382   1.82878
    D8       -2.28341   0.00001   0.00054  -0.00426  -0.00377  -2.28717
    D9        0.25126  -0.00002  -0.00229  -0.03178  -0.03428   0.21698
   D10        2.41844  -0.00002  -0.00235  -0.03167  -0.03423   2.38422
   D11       -0.01658   0.00000  -0.00090  -0.02004  -0.02091  -0.03749
   D12        2.15061  -0.00001  -0.00096  -0.01993  -0.02086   2.12975
   D13       -0.48559   0.00000  -0.00056  -0.01641  -0.01680  -0.50239
   D14        1.68159  -0.00001  -0.00062  -0.01630  -0.01675   1.66484
   D15       -0.58898   0.00000   0.00029  -0.01455  -0.01417  -0.60315
   D16        1.57821  -0.00001   0.00023  -0.01444  -0.01412   1.56408
   D17        0.18398  -0.00001   0.00038  -0.00976  -0.00944   0.17453
   D18        2.35116  -0.00001   0.00031  -0.00965  -0.00939   2.34177
   D19        0.12653  -0.00002   0.00086  -0.00363  -0.00280   0.12373
   D20        2.29371  -0.00002   0.00080  -0.00352  -0.00275   2.29096
   D21        2.37812   0.00001   0.00048  -0.00632  -0.00585   2.37227
   D22       -1.73788   0.00001   0.00042  -0.00621  -0.00580  -1.74368
   D23        2.13984   0.00001   0.00076   0.00146   0.00230   2.14213
   D24       -1.97617   0.00000   0.00070   0.00157   0.00235  -1.97382
   D25        1.69156   0.00000   0.00029  -0.00587  -0.00550   1.68606
   D26       -2.42444   0.00000   0.00022  -0.00576  -0.00545  -2.42989
   D27        1.38342  -0.00001   0.00021  -0.00915  -0.00896   1.37446
   D28       -2.73258  -0.00001   0.00015  -0.00904  -0.00891  -2.74149
   D29        2.36136   0.00001   0.00100   0.01797   0.01901   2.38037
   D30       -1.75464   0.00001   0.00094   0.01808   0.01906  -1.73558
   D31       -1.74095   0.00002   0.00177   0.00349   0.00527  -1.73568
   D32        0.42624   0.00001   0.00171   0.00359   0.00532   0.43155
   D33       -2.09486   0.00000   0.00193   0.00639   0.00828  -2.08659
   D34        0.07232  -0.00001   0.00187   0.00650   0.00833   0.08065
   D35       -2.46839  -0.00001   0.00123   0.00514   0.00636  -2.46203
   D36       -0.30120  -0.00002   0.00117   0.00525   0.00641  -0.29479
   D37       -2.75979   0.00000   0.00144   0.00687   0.00827  -2.75153
   D38       -0.59261   0.00000   0.00138   0.00698   0.00832  -0.58429
   D39       -2.12539   0.00000   0.00290   0.01015   0.01288  -2.11251
   D40        0.04179   0.00000   0.00284   0.01026   0.01293   0.05472
   D41       -2.37156  -0.00001   0.00364   0.00289   0.00641  -2.36515
   D42       -0.20437  -0.00002   0.00358   0.00300   0.00646  -0.19791
   D43        1.26138   0.00001   0.00030   0.01250   0.01285   1.27424
   D44       -1.96850   0.00002  -0.00058   0.01890   0.01837  -1.95013
   D45        2.44626   0.00001  -0.00013   0.01459   0.01442   2.46069
   D46       -0.78362   0.00001  -0.00101   0.02098   0.01994  -0.76368
   D47        2.92749   0.00001   0.00003   0.01192   0.01181   2.93930
   D48       -0.30239   0.00002  -0.00084   0.01831   0.01733  -0.28506
   D49        2.88916  -0.00003   0.00276   0.00810   0.01070   2.89986
   D50       -0.34072  -0.00002   0.00188   0.01449   0.01622  -0.32450
   D51        1.99192  -0.00001  -0.00100  -0.01879  -0.02046   1.97146
   D52       -1.23797  -0.00001  -0.00188  -0.01239  -0.01494  -1.25291
   D53        1.05940  -0.00003  -0.00176  -0.01622  -0.01719   1.04221
   D54       -2.17049  -0.00002  -0.00264  -0.00983  -0.01167  -2.18216
   D55        0.97430  -0.00001   0.00010  -0.00478  -0.00443   0.96987
   D56       -2.25559  -0.00001  -0.00078   0.00161   0.00109  -2.25450
   D57        2.00518  -0.00001   0.00090   0.00483   0.00557   2.01075
   D58       -1.22470  -0.00001   0.00002   0.01122   0.01109  -1.21361
   D59        1.81537  -0.00003   0.00103   0.01043   0.01141   1.82679
   D60       -1.41451  -0.00002   0.00015   0.01683   0.01693  -1.39758
   D61       -2.30346   0.00001   0.00025   0.00727   0.00750  -2.29596
   D62        0.74985   0.00001  -0.00063   0.01367   0.01302   0.76286
   D63       -2.42584   0.00001   0.00068   0.01715   0.01784  -2.40800
   D64        0.62746   0.00001  -0.00020   0.02354   0.02336   0.65082
   D65       -2.82724   0.00000   0.00053   0.01677   0.01737  -2.80987
   D66        0.22606   0.00000  -0.00035   0.02316   0.02289   0.24895
   D67       -2.99427  -0.00001   0.00155   0.01769   0.01931  -2.97496
   D68        0.05903  -0.00001   0.00067   0.02408   0.02483   0.08386
   D69       -2.13994   0.00001   0.00071   0.02516   0.02579  -2.11415
   D70        0.91336   0.00001  -0.00017   0.03155   0.03131   0.94467
   D71       -0.16336   0.00002   0.00238   0.02604   0.02842  -0.13494
   D72        2.88994   0.00003   0.00151   0.03243   0.03394   2.92388
   D73       -0.56310  -0.00002   0.00210   0.02661   0.02873  -0.53437
   D74        2.49020  -0.00001   0.00123   0.03300   0.03425   2.52445
   D75       -0.72463  -0.00001   0.00140   0.02373   0.02523  -0.69940
   D76        2.32868  -0.00001   0.00053   0.03012   0.03075   2.35942
   D77       -1.06172  -0.00001   0.00107   0.02404   0.02519  -1.03653
   D78        1.99158   0.00000   0.00020   0.03044   0.03070   2.02229
   D79       -0.85256   0.00000   0.00262   0.02788   0.03046  -0.82210
   D80        2.20074   0.00000   0.00174   0.03428   0.03598   2.23672
   D81       -1.15631   0.00000   0.00257   0.02503   0.02759  -1.12873
   D82        1.89699   0.00000   0.00169   0.03142   0.03310   1.93010
   D83       -1.52855   0.00002  -0.00103   0.01047   0.00944  -1.51911
   D84       -2.60963   0.00001  -0.00121   0.00977   0.00851  -2.60112
   D85       -2.94172   0.00002  -0.00122   0.00131   0.00014  -2.94158
   D86        0.73222  -0.00001  -0.00086  -0.00106  -0.00202   0.73020
   D87        0.30097   0.00001  -0.00109  -0.00367  -0.00487   0.29610
   D88       -0.09982   0.00000  -0.00211  -0.01444  -0.01661  -0.11643
   D89       -0.42896  -0.00001  -0.00138  -0.01185  -0.01322  -0.44218
   D90        0.18860   0.00000  -0.00006   0.00501   0.00489   0.19349
   D91       -0.04473  -0.00002   0.00014   0.00837   0.00850  -0.03623
   D92        2.39077   0.00001  -0.00071  -0.00022  -0.00096   2.38982
   D93        2.04787   0.00000  -0.00055   0.00672   0.00625   2.05412
   D94        1.64845   0.00000  -0.00075   0.00185   0.00125   1.64971
   D95        1.36642  -0.00001  -0.00045   0.00326   0.00290   1.36932
   D96        2.06155   0.00001  -0.00062   0.01774   0.01718   2.07873
   D97       -1.87328   0.00002   0.00181   0.01659   0.01826  -1.85503
   D98       -2.42448  -0.00002   0.00195   0.02505   0.02687  -2.39761
   D99       -2.63966  -0.00001   0.00037   0.01927   0.01968  -2.61998
   D100      -2.96966   0.00000  -0.00023   0.02038   0.02023  -2.94943
   D101      -2.91085  -0.00001   0.00350   0.03650   0.03999  -2.87086
   D102       2.83349   0.00000   0.00173   0.03657   0.03831   2.87180
   D103      -2.83935   0.00002   0.00471   0.03038   0.03526  -2.80409
   D104       1.25740   0.00001   0.00467   0.03203   0.03686   1.29427
   D105       2.84909   0.00002   0.00340   0.02311   0.02697   2.87606
   D106       0.66266   0.00001   0.00336   0.02476   0.02858   0.69124
   D107       2.29770   0.00003   0.00023   0.01122   0.01151   2.30921
   D108       0.11127   0.00002   0.00019   0.01287   0.01312   0.12439
   D109       1.68372   0.00004  -0.00164  -0.00812  -0.01010   1.67362
   D110      -0.50272   0.00003  -0.00168  -0.00646  -0.00849  -0.51121
   D111       2.61227   0.00001   0.00283   0.01020   0.01308   2.62535
   D112       0.42584   0.00000   0.00279   0.01185   0.01469   0.44053
   D113       2.26931   0.00000   0.00225   0.00803   0.01028   2.27959
   D114       0.08288  -0.00001   0.00220   0.00968   0.01188   0.09476
   D115      -1.60899   0.00002   0.00041  -0.00491  -0.00444  -1.61343
   D116       2.48776   0.00001   0.00037  -0.00326  -0.00283   2.48493
   D117      -1.77141   0.00000   0.00069   0.00257   0.00333  -1.76808
   D118       2.32534  -0.00001   0.00065   0.00422   0.00494   2.33028
   D119      -2.73512   0.00001   0.00054  -0.00388  -0.00334  -2.73846
   D120       1.36163   0.00000   0.00050  -0.00223  -0.00173   1.35990
   D121      -2.69198   0.00002   0.00097  -0.00290  -0.00196  -2.69393
   D122       1.40477   0.00001   0.00093  -0.00125  -0.00035   1.40442
   D123       1.34436  -0.00001   0.00189   0.00480   0.00662   1.35099
   D124      -0.84207  -0.00002   0.00185   0.00645   0.00823  -0.83384
   D125       1.32404   0.00000   0.00242   0.00270   0.00501   1.32906
   D126      -0.86239  -0.00001   0.00238   0.00435   0.00662  -0.85577
   D127       1.68616   0.00001   0.00293   0.00324   0.00608   1.69225
   D128      -0.50027   0.00000   0.00289   0.00489   0.00769  -0.49258
   D129       1.80964   0.00002   0.00208   0.00341   0.00544   1.81509
   D130      -0.37679   0.00001   0.00204   0.00506   0.00705  -0.36974
   D131       0.92969   0.00000   0.00300   0.00258   0.00545   0.93513
   D132      -1.25675  -0.00001   0.00295   0.00423   0.00706  -1.24969
   D133      -0.93502  -0.00002   0.00060  -0.00699  -0.00641  -0.94143
   D134      -3.12145  -0.00003   0.00055  -0.00534  -0.00480  -3.12625
   D135      -0.51800   0.00002   0.00067  -0.00932  -0.00864  -0.52663
   D136      -2.70443   0.00001   0.00062  -0.00767  -0.00703  -2.71146
   D137      -0.25308   0.00001   0.00084  -0.01585  -0.01487  -0.26795
   D138      -2.43952   0.00000   0.00080  -0.01420  -0.01326  -2.45278
   D139       0.14331   0.00000   0.00044  -0.01685  -0.01643   0.12688
   D140      -2.04312  -0.00001   0.00040  -0.01520  -0.01483  -2.05795
   D141      -0.29125   0.00001   0.00036  -0.00544  -0.00509  -0.29635
   D142      -2.47769   0.00000   0.00032  -0.00379  -0.00349  -2.48117
   D143      -0.03497   0.00002   0.00058   0.00274   0.00308  -0.03189
   D144      -2.22140   0.00001   0.00053   0.00439   0.00469  -2.21671
   D145      -2.41605   0.00000   0.00288   0.01361   0.01638  -2.39967
   D146      -2.64457   0.00000   0.00324   0.02367   0.02675  -2.61782
   D147      -2.27755   0.00003   0.00431   0.03261   0.03621  -2.24134
   D148       3.07025   0.00001   0.00316   0.02079   0.02408   3.09433
   D149       2.68307  -0.00001   0.00356   0.01967   0.02344   2.70650
   D150       1.51609   0.00001  -0.00062  -0.01148  -0.01198   1.50411
   D151       2.61755   0.00001  -0.00017  -0.01124  -0.01138   2.60617
   D152       2.99670   0.00003   0.00014  -0.00985  -0.00970   2.98699
   D153       1.20278  -0.00003   0.00155   0.00146   0.00309   1.20587
   D154       1.27120  -0.00001   0.00160  -0.00444  -0.00284   1.26836
   D155       1.66871   0.00000   0.00198  -0.00278  -0.00077   1.66795
   D156       1.73807   0.00002   0.00076  -0.00409  -0.00327   1.73480
   D157       0.92273  -0.00001   0.00180  -0.00923  -0.00741   0.91532
   D158      -0.94269  -0.00002   0.00035  -0.00768  -0.00730  -0.94998
   D159      -0.61914   0.00002   0.00081  -0.00803  -0.00711  -0.62625
   D160      -0.67149   0.00001   0.00108  -0.01110  -0.00986  -0.68135
   D161      -0.37944   0.00001   0.00142  -0.01769  -0.01609  -0.39553
   D162      -0.23389   0.00001   0.00073  -0.00445  -0.00357  -0.23746
   D163       0.04211   0.00001   0.00075  -0.00583  -0.00519   0.03692
   D164      -1.24284   0.00000   0.00187   0.02887   0.03070  -1.21214
   D165       1.70390  -0.00001   0.00232   0.02177   0.02405   1.72795
   D166      -1.61319   0.00000   0.00158   0.02929   0.03084  -1.58235
   D167       1.33355  -0.00001   0.00203   0.02218   0.02420   1.35774
   D168      -1.68873   0.00002   0.00124   0.03214   0.03343  -1.65530
   D169       1.25801   0.00000   0.00169   0.02504   0.02679   1.28479
   D170      -1.95261   0.00003   0.00032   0.02214   0.02252  -1.93009
   D171       0.99413   0.00002   0.00077   0.01504   0.01588   1.01000
   D172      -1.96571   0.00000   0.00165   0.02642   0.02802  -1.93769
   D173       0.98103  -0.00001   0.00211   0.01932   0.02137   1.00240
   D174      -2.27047   0.00000   0.00160   0.02448   0.02603  -2.24444
   D175       0.67627  -0.00001   0.00205   0.01737   0.01938   0.69566
   D176       1.97143   0.00000  -0.00113   0.00453   0.00345   1.97487
   D177      -1.36502  -0.00002  -0.00068  -0.00258  -0.00320  -1.36822
   D178       0.82659   0.00001  -0.00089   0.00373   0.00281   0.82940
   D179      -2.50986   0.00000  -0.00043  -0.00337  -0.00384  -2.51369
   D180       0.36205  -0.00001  -0.00076   0.00810   0.00744   0.36949
   D181      -2.97439  -0.00003  -0.00031   0.00100   0.00079  -2.97360
   D182      -3.08927  -0.00001   0.00070   0.01792   0.01858  -3.07069
   D183      -0.14253  -0.00002   0.00115   0.01082   0.01193  -0.13059
   D184       2.93314  -0.00001   0.00087   0.01528   0.01612   2.94926
   D185      -0.40331  -0.00002   0.00133   0.00817   0.00947  -0.39383
   D186       3.09177   0.00001   0.00119   0.01326   0.01444   3.10621
   D187      -0.24467   0.00000   0.00165   0.00615   0.00779  -0.23688
   D188       2.99288   0.00002  -0.00002   0.01238   0.01237   3.00525
   D189      -0.34356   0.00001   0.00044   0.00527   0.00572  -0.33784
   D190       2.48863  -0.00001   0.00113   0.01448   0.01559   2.50422
   D191      -0.84781  -0.00002   0.00159   0.00738   0.00894  -0.83887
   D192       0.40097  -0.00001   0.00001   0.01098   0.01095   0.41192
   D193      -2.93548  -0.00003   0.00047   0.00388   0.00431  -2.93117
   D194       0.70725   0.00003   0.00042   0.00897   0.00944   0.71669
   D195      -2.62920   0.00002   0.00088   0.00187   0.00279  -2.62640
   D196       0.53817   0.00000   0.00187   0.00958   0.01156   0.54973
   D197      -2.79827  -0.00001   0.00232   0.00248   0.00491  -2.79336
   D198       1.15238   0.00001  -0.00033   0.00892   0.00865   1.16103
   D199      -2.18406  -0.00001   0.00012   0.00181   0.00201  -2.18206
   D200       1.47335   0.00001  -0.00054   0.01147   0.01075   1.48411
   D201      -1.86309  -0.00001  -0.00008   0.00437   0.00411  -1.85899
   D202       1.59747  -0.00002  -0.00080  -0.01157  -0.01235   1.58512
   D203      -0.61605  -0.00001  -0.00051  -0.01516  -0.01562  -0.63167
   D204       1.66113  -0.00001  -0.00061  -0.01476  -0.01538   1.64575
   D205      -0.55238   0.00000  -0.00032  -0.01835  -0.01865  -0.57104
   D206       1.33064  -0.00002  -0.00100  -0.01524  -0.01629   1.31436
   D207      -0.88287  -0.00001  -0.00071  -0.01883  -0.01956  -0.90243
   D208       1.15490   0.00000  -0.00091  -0.00817  -0.00909   1.14581
   D209      -1.05861   0.00001  -0.00062  -0.01176  -0.01236  -1.07097
   D210       2.09003  -0.00002  -0.00045  -0.01616  -0.01663   2.07341
   D211      -0.12348  -0.00001  -0.00015  -0.01975  -0.01990  -0.14338
   D212       2.20484  -0.00002  -0.00097  -0.01272  -0.01366   2.19117
   D213      -0.00868  -0.00001  -0.00067  -0.01631  -0.01694  -0.02562
   D214      -2.19686  -0.00001   0.00160   0.00490   0.00644  -2.19042
   D215       1.87281   0.00000   0.00189   0.00131   0.00316   1.87598
   D216      -2.37213   0.00000   0.00082   0.00051   0.00128  -2.37085
   D217       1.69755   0.00001   0.00112  -0.00308  -0.00199   1.69555
   D218      -1.98695   0.00001   0.00020  -0.00314  -0.00299  -1.98993
   D219       2.08273   0.00002   0.00050  -0.00673  -0.00626   2.07646
   D220      -2.12721   0.00001  -0.00149   0.00082  -0.00060  -2.12780
   D221       1.94247   0.00002  -0.00120  -0.00277  -0.00387   1.93860
   D222      -2.86864  -0.00001   0.00068  -0.00052   0.00016  -2.86848
   D223       1.20103   0.00000   0.00098  -0.00411  -0.00312   1.19792
   D224       3.07617  -0.00003   0.00058  -0.00228  -0.00168   3.07450
   D225       0.86266  -0.00002   0.00088  -0.00587  -0.00495   0.85771
   D226      -2.70926  -0.00004  -0.00013   0.00666   0.00649  -2.70278
   D227       1.36041  -0.00003   0.00016   0.00307   0.00321   1.36362
   D228      -2.64420  -0.00004   0.00140   0.00531   0.00664  -2.63755
   D229       1.42548  -0.00003   0.00169   0.00172   0.00337   1.42885
   D230      -1.56103  -0.00002  -0.00027   0.01297   0.01270  -1.54833
   D231       2.50865  -0.00001   0.00002   0.00938   0.00942   2.51807
   D232      -0.12044  -0.00001   0.00081   0.00232   0.00322  -0.11722
   D233      -2.33395   0.00000   0.00111  -0.00127  -0.00006  -2.33401
   D234      -0.24382  -0.00004   0.00007  -0.00072  -0.00064  -0.24445
   D235      -2.45733  -0.00003   0.00037  -0.00431  -0.00391  -2.46124
   D236       0.04459  -0.00001  -0.00023  -0.00200  -0.00218   0.04241
   D237      -2.16892   0.00000   0.00006  -0.00559  -0.00546  -2.17438
   D238      -0.05149  -0.00002  -0.00112   0.00018  -0.00091  -0.05240
   D239      -2.26500  -0.00001  -0.00083  -0.00341  -0.00418  -2.26918
   D240      -0.63053  -0.00002  -0.00003  -0.00308  -0.00317  -0.63370
   D241      -2.84404  -0.00001   0.00027  -0.00667  -0.00644  -2.85049
   D242      -0.81349  -0.00002   0.00005   0.00455   0.00464  -0.80885
   D243      -3.02700  -0.00001   0.00034   0.00096   0.00137  -3.02564
   D244      -2.94082   0.00001  -0.00040   0.01090   0.01053  -2.93029
   D245      -0.03836   0.00001  -0.00178  -0.01007  -0.01181  -0.05017
   D246      -3.13788   0.00001  -0.00038   0.00771   0.00732  -3.13056
   D247      -0.23542   0.00001  -0.00176  -0.01326  -0.01501  -0.25043
   D248       2.75455   0.00000  -0.00086   0.00808   0.00712   2.76167
   D249      -0.62617   0.00000  -0.00224  -0.01288  -0.01521  -0.64139
   D250       2.51471   0.00002  -0.00083   0.01224   0.01146   2.52617
   D251      -0.86601   0.00002  -0.00221  -0.00872  -0.01088  -0.87689
   D252      -2.91542   0.00000  -0.00019   0.00492   0.00482  -2.91060
   D253      -0.01296   0.00000  -0.00156  -0.01605  -0.01751  -0.03048
   D254      -3.08911   0.00000  -0.00067   0.01033   0.00981  -3.07931
   D255      -0.18665   0.00000  -0.00205  -0.01064  -0.01253  -0.19918
   D256      -0.62570   0.00000   0.00133   0.01768   0.01901  -0.60669
   D257       2.27676   0.00000  -0.00005  -0.00329  -0.00333   2.27343
   D258      -0.88355   0.00002   0.00049   0.01566   0.01619  -0.86736
   D259       2.01892   0.00002  -0.00089  -0.00531  -0.00615   2.01276
   D260      -0.73254   0.00001  -0.00045   0.01180   0.01142  -0.72112
   D261       2.16992   0.00001  -0.00182  -0.00917  -0.01091   2.15901
   D262      -0.94916   0.00000  -0.00104   0.01518   0.01425  -0.93490
   D263       1.95330   0.00000  -0.00242  -0.00579  -0.00808   1.94522
   D264      -1.29241   0.00001   0.00045   0.01591   0.01640  -1.27600
   D265       1.61005   0.00001  -0.00092  -0.00506  -0.00593   1.60412
   D266      -1.53561   0.00000   0.00021   0.01458   0.01482  -1.52078
   D267       1.36686   0.00000  -0.00117  -0.00639  -0.00751   1.35934
   D268       1.98231  -0.00001  -0.00020   0.02185   0.02166   2.00397
   D269      -1.39842  -0.00001  -0.00157   0.00088  -0.00067  -1.39909
   D270       0.86557   0.00000  -0.00003   0.02788   0.02777   0.89334
   D271      -2.51516   0.00000  -0.00141   0.00691   0.00543  -2.50972
   D272       0.83655   0.00000  -0.00150  -0.00275  -0.00454   0.83201
   D273      -2.54417   0.00000  -0.00288  -0.02371  -0.02688  -2.57105
   D274       1.06162   0.00000  -0.00111   0.00407   0.00286   1.06448
   D275      -2.31910   0.00000  -0.00248  -0.01690  -0.01948  -2.33858
   D276       1.53953   0.00002  -0.00062   0.00808   0.00744   1.54698
   D277      -1.84119   0.00002  -0.00199  -0.01289  -0.01489  -1.85608
   D278       1.53989   0.00000  -0.00135   0.01188   0.01053   1.55042
   D279      -1.84083   0.00000  -0.00273  -0.00909  -0.01181  -1.85264
   D280       0.77313   0.00000  -0.00144   0.00508   0.00358   0.77670
   D281      -2.60760   0.00001  -0.00282  -0.01589  -0.01876  -2.62636
   D282       0.75715   0.00001  -0.00120   0.01813   0.01691   0.77405
   D283      -2.62358   0.00001  -0.00258  -0.00284  -0.00543  -2.62901
   D284       1.55035  -0.00001  -0.00170  -0.03541  -0.03719   1.51316
   D285      -2.66973  -0.00001  -0.00277  -0.03778  -0.04063  -2.71036
   D286       1.61257   0.00000  -0.00125  -0.02822  -0.02954   1.58303
   D287      -2.60751   0.00000  -0.00232  -0.03060  -0.03299  -2.64050
   D288       1.29707  -0.00001  -0.00156  -0.02456  -0.02618   1.27090
   D289      -2.92301  -0.00001  -0.00263  -0.02693  -0.02962  -2.95263
   D290       1.20474   0.00000  -0.00132  -0.01422  -0.01552   1.18922
   D291      -3.01534   0.00000  -0.00239  -0.01660  -0.01897  -3.03430
   D292       2.01059  -0.00001  -0.00093  -0.02486  -0.02586   1.98472
   D293      -2.20949  -0.00001  -0.00200  -0.02723  -0.02931  -2.23880
   D294       1.99623  -0.00001  -0.00134  -0.01634  -0.01769   1.97854
   D295      -2.22385  -0.00001  -0.00241  -0.01872  -0.02113  -2.24498
   D296      -2.26972   0.00000   0.00109  -0.00233  -0.00127  -2.27100
   D297      -0.20662   0.00000   0.00002  -0.00471  -0.00472  -0.21134
   D298      -2.25710   0.00001   0.00008  -0.00461  -0.00451  -2.26161
   D299      -0.19399   0.00001  -0.00099  -0.00699  -0.00795  -0.20195
   D300      -1.87272   0.00001  -0.00039  -0.00514  -0.00540  -1.87812
   D301       0.19039   0.00001  -0.00146  -0.00752  -0.00885   0.18154
   D302      -1.82086   0.00001  -0.00099   0.00180   0.00101  -1.81985
   D303       0.24225   0.00001  -0.00206  -0.00057  -0.00244   0.23981
   D304      -2.61119   0.00001  -0.00047  -0.00727  -0.00772  -2.61892
   D305      -0.54809   0.00001  -0.00154  -0.00965  -0.01117  -0.55926
   D306      -2.74023   0.00001  -0.00077  -0.01040  -0.01117  -2.75140
   D307      -0.67712   0.00001  -0.00184  -0.01277  -0.01461  -0.69173
   D308       1.52466  -0.00001  -0.00090   0.00179   0.00092   1.52558
   D309      -2.69542  -0.00001  -0.00197  -0.00059  -0.00252  -2.69794
   D310       2.62829  -0.00001  -0.00057   0.00196   0.00128   2.62957
   D311      -1.59179  -0.00001  -0.00164  -0.00042  -0.00216  -1.59395
   D312       3.01875  -0.00001   0.00066   0.00013   0.00070   3.01945
   D313      -1.20133  -0.00001  -0.00041  -0.00225  -0.00274  -1.20407
   D314      -0.52824  -0.00001  -0.00134  -0.01365  -0.01493  -0.54317
   D315       1.53486  -0.00001  -0.00241  -0.01603  -0.01837   1.51649
   D316      -0.36237  -0.00001  -0.00161  -0.01735  -0.01892  -0.38129
   D317       1.70074  -0.00001  -0.00268  -0.01973  -0.02237   1.67837
   D318       0.06620   0.00001  -0.00143  -0.01826  -0.01968   0.04652
   D319       2.12930   0.00001  -0.00250  -0.02064  -0.02312   2.10618
   D320       0.20525   0.00000  -0.00216  -0.01801  -0.02018   0.18507
   D321       2.26835   0.00000  -0.00323  -0.02039  -0.02362   2.24474
   D322      -0.60462  -0.00001  -0.00186  -0.02032  -0.02214  -0.62677
   D323       1.45848   0.00000  -0.00293  -0.02269  -0.02559   1.43290
   D324      -0.64602   0.00000  -0.00184  -0.01005  -0.01187  -0.65789
   D325       1.41709   0.00001  -0.00291  -0.01243  -0.01532   1.40177
   D326       0.10387   0.00000  -0.00042  -0.01035  -0.01064   0.09323
   D327       2.27060   0.00000   0.00020  -0.01048  -0.01015   2.26045
   D328       0.40560   0.00000  -0.00093  -0.01165  -0.01239   0.39321
   D329       2.57233   0.00000  -0.00032  -0.01177  -0.01190   2.56043
   D330       0.78122   0.00000  -0.00026  -0.01167  -0.01171   0.76952
   D331       2.94795   0.00000   0.00036  -0.01179  -0.01122   2.93673
   D332       1.06310  -0.00002  -0.00018  -0.01136  -0.01160   1.05150
   D333      -3.05336  -0.00002   0.00044  -0.01148  -0.01111  -3.06447
   D334       0.33056   0.00000  -0.00219  -0.01409  -0.01603   0.31453
   D335       2.49728   0.00000  -0.00157  -0.01422  -0.01554   2.48174
   D336       0.72461  -0.00001  -0.00282  -0.02724  -0.02991   0.69470
   D337       2.89134  -0.00001  -0.00220  -0.02736  -0.02942   2.86192
   D338      -2.32242   0.00002  -0.00059  -0.00610  -0.00691  -2.32932
   D339      -0.15569   0.00002   0.00003  -0.00622  -0.00642  -0.16211
   D340      -1.94678   0.00000  -0.00051  -0.00706  -0.00774  -1.95452
   D341       0.21995   0.00000   0.00011  -0.00719  -0.00726   0.21269
   D342      -1.87930  -0.00001  -0.00024  -0.00532  -0.00572  -1.88502
   D343       0.28743  -0.00001   0.00038  -0.00544  -0.00524   0.28219
   D344      -1.56464   0.00001  -0.00007  -0.00644  -0.00668  -1.57132
   D345       0.60209   0.00001   0.00055  -0.00656  -0.00619   0.59590
   D346      -1.59425   0.00001  -0.00069  -0.00900  -0.00980  -1.60405
   D347       0.57248   0.00001  -0.00007  -0.00913  -0.00931   0.56317
   D348      -1.29220   0.00002  -0.00072  -0.00933  -0.01012  -1.30232
   D349       0.87452   0.00002  -0.00010  -0.00945  -0.00963   0.86489
   D350       1.89359   0.00000  -0.00092  -0.01306  -0.01409   1.87951
   D351      -2.22286   0.00000  -0.00030  -0.01319  -0.01360  -2.23647
   D352       2.34669   0.00001  -0.00041  -0.00984  -0.01029   2.33640
   D353      -1.76977   0.00001   0.00021  -0.00996  -0.00980  -1.77957
   D354       2.66240   0.00001   0.00080   0.00642   0.00748   2.66988
   D355      -1.45406   0.00001   0.00142   0.00630   0.00797  -1.44609
   D356      -3.00666   0.00005   0.00227   0.01211   0.01435  -2.99231
   D357      -0.83994   0.00005   0.00289   0.01199   0.01484  -0.82510
   D358       2.64219   0.00001  -0.00022  -0.01501  -0.01527   2.62692
   D359      -1.47427   0.00001   0.00040  -0.01513  -0.01478  -1.48905
   D360       1.64630   0.00001   0.00078  -0.00745  -0.00668   1.63963
   D361      -2.47015   0.00001   0.00140  -0.00757  -0.00619  -2.47634
   D362       1.82039   0.00002   0.00114  -0.01132  -0.01021   1.81018
   D363      -2.29607   0.00002   0.00176  -0.01145  -0.00972  -2.30579
   D364       2.75451   0.00000   0.00061  -0.00532  -0.00470   2.74981
   D365      -1.36195   0.00000   0.00123  -0.00544  -0.00421  -1.36616
   D366       2.75764  -0.00001   0.00041  -0.01892  -0.01848   2.73916
   D367      -1.35881  -0.00001   0.00103  -0.01904  -0.01799  -1.37681
   D368       0.07855   0.00000  -0.00233  -0.00542  -0.00760   0.07095
   D369      -2.38546   0.00000  -0.00093  -0.00495  -0.00574  -2.39120
   D370       0.47827   0.00000  -0.00220  -0.00465  -0.00668   0.47159
   D371      -1.98574   0.00000  -0.00080  -0.00418  -0.00482  -1.99056
   D372       0.69651  -0.00001  -0.00160  -0.00130  -0.00269   0.69383
   D373      -1.76750  -0.00001  -0.00019  -0.00083  -0.00082  -1.76832
   D374       0.96596  -0.00002  -0.00122   0.00516   0.00393   0.96989
   D375      -1.49805  -0.00002   0.00018   0.00562   0.00579  -1.49226
   D376       0.71673   0.00000  -0.00264  -0.00767  -0.01018   0.70655
   D377      -1.74728   0.00001  -0.00124  -0.00721  -0.00831  -1.75559
   D378       1.06042   0.00001  -0.00248  -0.00690  -0.00941   1.05101
   D379      -1.40359   0.00001  -0.00108  -0.00644  -0.00755  -1.41114
   D380      -2.68858   0.00001  -0.00052   0.02089   0.02009  -2.66849
   D381       1.13059   0.00001   0.00088   0.02136   0.02196   1.15255
   D382      -2.17085  -0.00002  -0.00122   0.01670   0.01521  -2.15564
   D383       1.64832  -0.00002   0.00018   0.01717   0.01707   1.66540
   D384      -1.92872  -0.00001  -0.00085   0.01411   0.01314  -1.91559
   D385       1.89045   0.00000   0.00055   0.01457   0.01500   1.90545
   D386      -1.60051   0.00001  -0.00095   0.00999   0.00894  -1.59157
   D387       2.21866   0.00001   0.00045   0.01046   0.01081   2.22947
   D388      -1.72859   0.00000  -0.00281   0.00897   0.00600  -1.72259
   D389       2.09058   0.00000  -0.00141   0.00944   0.00787   2.09845
   D390      -1.16879   0.00003  -0.00306  -0.00056  -0.00349  -1.17228
   D391       2.65038   0.00003  -0.00166  -0.00009  -0.00163   2.64875
   D392       1.81589   0.00000  -0.00185   0.00136  -0.00046   1.81543
   D393      -0.64812   0.00001  -0.00044   0.00183   0.00141  -0.64671
   D394       2.12610   0.00000  -0.00173   0.00319   0.00146   2.12756
   D395      -0.33792   0.00000  -0.00033   0.00366   0.00333  -0.33459
   D396       2.09590  -0.00001  -0.00157   0.00946   0.00792   2.10382
   D397      -0.36811  -0.00001  -0.00017   0.00993   0.00978  -0.35833
   D398       2.32914  -0.00002   0.00024   0.01553   0.01590   2.34504
   D399      -0.13487  -0.00002   0.00164   0.01600   0.01777  -0.11710
   D400       2.51712   0.00000  -0.00193  -0.00004  -0.00202   2.51511
   D401       0.05311   0.00001  -0.00053   0.00043  -0.00015   0.05296
   D402      -1.53409   0.00002  -0.00018   0.00816   0.00802  -1.52607
   D403       2.28508   0.00002   0.00122   0.00863   0.00989   2.29497
   D404      -2.62953   0.00000   0.00020   0.00468   0.00488  -2.62465
   D405       1.18964   0.00001   0.00160   0.00515   0.00674   1.19639
   D406      -2.97788   0.00000  -0.00010  -0.00545  -0.00551  -2.98339
   D407       0.84129   0.00000   0.00130  -0.00499  -0.00364   0.83765
   D408       1.92426   0.00000  -0.00182   0.00555   0.00401   1.92826
   D409       2.42657   0.00001  -0.00225   0.00120  -0.00078   2.42579
   D410       2.66025   0.00000  -0.00093   0.00646   0.00569   2.66594
   D411       2.88988  -0.00001  -0.00031   0.01491   0.01457   2.90445
   D412       2.86616   0.00001  -0.00392  -0.01201  -0.01583   2.85033
   D413      -2.91336   0.00001  -0.00216   0.00209  -0.00029  -2.91365
   D414      -0.71608   0.00002   0.00030   0.02550   0.02562  -0.69045
   D415      -0.34014   0.00000   0.00035   0.02547   0.02569  -0.31445
   D416      -0.01434   0.00000   0.00056   0.02709   0.02762   0.01328
   D417       0.29123   0.00001   0.00048   0.02764   0.02810   0.31933
   D418      -0.22751   0.00000   0.00011   0.02352   0.02350  -0.20401
   D419       0.06826   0.00003  -0.00009   0.02142   0.02121   0.08947
   D420      -2.53093   0.00000  -0.00013   0.01905   0.01896  -2.51197
   D421      -2.14944   0.00000  -0.00011   0.01721   0.01711  -2.13233
   D422      -1.88820   0.00000   0.00048   0.02510   0.02558  -1.86262
   D423      -1.57065   0.00000   0.00114   0.02725   0.02837  -1.54228
   D424      -1.95215   0.00000  -0.00046   0.00918   0.00872  -1.94343
   D425       1.30105  -0.00001   0.00021   0.01854   0.01875   1.31981
   D426       2.47138   0.00001   0.00091   0.01328   0.01415   2.48553
   D427       2.94791   0.00000   0.00124   0.01028   0.01147   2.95938
   D428      -3.06068   0.00010   0.00226   0.00231   0.00464  -3.05604
   D429       0.02345   0.00007   0.00051   0.00552   0.00604   0.02949
   D430       0.05195   0.00003   0.00265   0.00213   0.00482   0.05677
   D431       3.13608   0.00001   0.00090   0.00533   0.00623  -3.14088
   D432      -0.11427   0.00000   0.00001   0.02518   0.02519  -0.08908
   D433       1.98460   0.00000  -0.00071   0.02716   0.02643   2.01103
   D434      -2.21068  -0.00001  -0.00009   0.02346   0.02330  -2.18738
   D435       3.08193   0.00003   0.00168   0.02205   0.02379   3.10572
   D436      -1.10239   0.00002   0.00096   0.02403   0.02503  -1.07736
   D437       0.98552   0.00001   0.00158   0.02033   0.02190   1.00742
   D438      -2.36794   0.00004  -0.00257   0.02772   0.02515  -2.34279
   D439      -0.27857   0.00004  -0.00272   0.02929   0.02657  -0.25199
   D440       1.82932   0.00003  -0.00276   0.02943   0.02668   1.85600
   D441       0.71895   0.00001  -0.00426   0.03091   0.02660   0.74555
   D442       2.80833   0.00002  -0.00441   0.03248   0.02802   2.83635
   D443      -1.36697   0.00000  -0.00445   0.03262   0.02813  -1.33884
   D444       0.00290  -0.00001   0.00097  -0.01138  -0.01037  -0.00747
   D445       3.11137  -0.00001   0.00003  -0.00840  -0.00837   3.10300
   D446      -3.11648   0.00002   0.00143  -0.01238  -0.01088  -3.12736
   D447      -0.00800   0.00003   0.00050  -0.00940  -0.00889  -0.01689
   D448       2.42905   0.00001  -0.00119  -0.02713  -0.02828   2.40078
   D449      -1.77031   0.00000  -0.00123  -0.02866  -0.02993  -1.80024
   D450       0.33711   0.00000  -0.00097  -0.03088  -0.03185   0.30525
   D451      -0.68099   0.00000  -0.00030  -0.02997  -0.03020  -0.71119
   D452       1.40282  -0.00001  -0.00034  -0.03150  -0.03184   1.37098
   D453      -2.77294  -0.00001  -0.00009  -0.03372  -0.03377  -2.80671
   D454       2.04276   0.00003  -0.00002  -0.00104  -0.00106   2.04170
   D455      -2.15551  -0.00001  -0.00018  -0.00174  -0.00191  -2.15742
   D456      -0.06289   0.00003   0.00018  -0.00340  -0.00323  -0.06612
   D457      -1.13038   0.00004  -0.00092   0.00187   0.00090  -1.12947
   D458       0.95454  -0.00001  -0.00108   0.00117   0.00005   0.95459
   D459       3.04716   0.00004  -0.00072  -0.00050  -0.00127   3.04589
   D460      -3.08240   0.00005   0.00142   0.01790   0.01931  -3.06308
   D461      -0.01927   0.00003   0.00081   0.01205   0.01289  -0.00638
   D462       0.07389  -0.00003   0.00169   0.01706   0.01869   0.09258
   D463       3.13702  -0.00005   0.00108   0.01121   0.01226  -3.13390
   D464       1.92071  -0.00004  -0.00414   0.00111  -0.00306   1.91765
   D465      -2.28113  -0.00002  -0.00402   0.00063  -0.00343  -2.28457
   D466      -0.18698  -0.00005  -0.00398   0.00130  -0.00272  -0.18971
   D467      -1.14563  -0.00002  -0.00359   0.00695   0.00332  -1.14231
   D468       0.93572   0.00000  -0.00348   0.00647   0.00295   0.93867
   D469       3.02987  -0.00003  -0.00344   0.00714   0.00366   3.03352
   D470      -1.64113   0.00002  -0.00206   0.01875   0.01668  -1.62444
   D471       0.46391   0.00004  -0.00172   0.01909   0.01735   0.48126
   D472       2.55424   0.00005  -0.00186   0.01839   0.01649   2.57074
   D473       1.42565   0.00000  -0.00263   0.01299   0.01035   1.43600
   D474      -2.75250   0.00002  -0.00229   0.01333   0.01102  -2.74148
   D475      -0.66217   0.00003  -0.00243   0.01263   0.01016  -0.65201
   D476       0.01418  -0.00002   0.00212  -0.01628  -0.01416   0.00002
   D477      -3.02519  -0.00002   0.00161  -0.01162  -0.00995  -3.03514
   D478       3.12571   0.00003   0.00314  -0.01834  -0.01520   3.11051
   D479       0.08634   0.00003   0.00263  -0.01367  -0.01099   0.07535
   D480      -0.28476  -0.00001   0.00037   0.00521   0.00555  -0.27921
   D481       1.82226   0.00004  -0.00026   0.01134   0.01107   1.83332
   D482      -2.37755   0.00000  -0.00024   0.01064   0.01034  -2.36721
   D483       2.75979  -0.00001   0.00085   0.00099   0.00176   2.76155
   D484      -1.41639   0.00005   0.00021   0.00712   0.00729  -1.40910
   D485       0.66700   0.00000   0.00023   0.00642   0.00656   0.67355
   D486      -0.10457  -0.00001   0.00258   0.02692   0.02949  -0.07508
   D487       1.99118   0.00000   0.00183   0.03137   0.03312   2.02429
   D488      -2.20729  -0.00001   0.00189   0.02934   0.03113  -2.17615
   D489       3.13394  -0.00001   0.00210   0.03145   0.03359  -3.11565
   D490      -1.05350   0.00001   0.00134   0.03589   0.03722  -1.01628
   D491       1.03122  -0.00001   0.00140   0.03387   0.03523   1.06646
         Item               Value     Threshold  Converged?
 Maximum Force            0.000226     0.000450     YES
 RMS     Force            0.000022     0.000300     YES
 Maximum Displacement     0.154931     0.001800     NO 
 RMS     Displacement     0.015618     0.001200     NO 
 Predicted change in Energy=-1.865400D-05
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:22:40 2016, MaxMem=  2952790016 cpu:        11.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.769706   -0.587776    1.639865
      2          6           0       -2.067042    1.138036   -1.368609
      3          8           0       -2.599653    0.158626   -1.918642
      4          7           0       -0.774153    1.201738   -0.946703
      5          1           0       -2.631563    2.064957   -1.143016
      6          6           0       -0.260608    2.358830   -0.213499
      7          1           0       -1.032718    3.138980   -0.163097
      8          1           0        0.022944    2.055612    0.807676
      9          1           0        0.630576    2.760456   -0.723300
     10          6           0        0.156818    0.087916   -1.141692
     11          1           0        0.713180   -0.092601   -0.207696
     12          1           0       -0.405172   -0.816179   -1.410269
     13          1           0        0.878732    0.326731   -1.940195
     14          6           0       -2.091068   -3.940366    2.719424
     15          8           0       -2.247719   -3.727458    3.933906
     16          7           0       -2.986917   -3.638536    1.740509
     17          1           0       -1.161911   -4.392439    2.318658
     18          6           0       -4.279256   -3.015385    2.042125
     19          1           0       -4.481189   -2.228249    1.298297
     20          1           0       -5.089246   -3.762220    1.992631
     21          1           0       -4.247063   -2.576412    3.047239
     22          6           0       -2.692644   -3.884778    0.328244
     23          1           0       -3.398091   -4.622231   -0.088952
     24          1           0       -2.793973   -2.944188   -0.239096
     25          1           0       -1.665258   -4.260463    0.223318
     26          6           0        1.641831    0.344902    2.559655
     27          8           0        1.537571    1.374395    3.246896
     28          7           0        1.221500   -0.896501    2.928690
     29          1           0        2.089850    0.355638    1.546414
     30          6           0        1.472603   -2.072402    2.093726
     31          1           0        2.216803   -2.729786    2.574057
     32          1           0        0.540226   -2.645838    1.961805
     33          1           0        1.842861   -1.752691    1.109603
     34          6           0        0.590340   -1.125496    4.230722
     35          1           0        1.338567   -1.430112    4.982452
     36          1           0        0.096274   -0.203269    4.562331
     37          1           0       -0.155243   -1.926992    4.129158
     38          6           0       -4.603398    0.985485    2.870628
     39          8           0       -4.856390    1.558344    1.796019
     40          7           0       -3.553882    1.270067    3.688063
     41          1           0       -5.219994    0.144707    3.246723
     42          6           0       -2.587322    2.321789    3.360658
     43          1           0       -2.683419    2.589057    2.300349
     44          1           0       -2.755107    3.214148    3.985113
     45          1           0       -1.571201    1.945509    3.553136
     46          6           0       -3.254618    0.460660    4.869067
     47          1           0       -4.029189   -0.307396    5.000000
     48          1           0       -2.271617   -0.026636    4.747191
     49          1           0       -3.219575    1.099948    5.766316
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.481056   0.000000
     3  O    3.729463   1.243163   0.000000
     4  N    3.299063   1.361479   2.316290   0.000000
     5  H    3.940078   1.108494   2.058328   2.057586   0.000000
     6  C    3.794050   2.467351   3.635869   1.462935   2.563550
     7  H    4.205060   2.554772   3.797332   2.105659   2.161035
     8  H    3.300550   3.153760   4.231948   2.107679   3.294191
     9  H    4.749374   3.213380   4.316565   2.110160   3.361760
    10  C    3.450378   2.469776   2.864748   1.464693   3.418151
    11  H    3.134231   3.254508   3.737019   2.105612   4.088665
    12  H    3.349244   2.565639   2.454472   2.103099   3.650916
    13  H    4.546139   3.108458   3.482512   2.117709   3.997387
    14  C    3.536747   6.519414   6.210640   6.451045   7.160620
    15  O    3.917745   7.198774   7.034048   7.091454   7.711975
    16  N    3.286163   5.773078   5.287514   5.962020   6.400846
    17  H    3.912242   6.708305   6.382320   6.489048   7.472685
    18  C    3.514675   5.811876   5.346315   6.245235   6.218512
    19  H    3.187469   4.926700   4.425612   5.526929   5.273779
    20  H    4.606614   6.666646   6.071998   7.204206   7.058929
    21  H    3.474575   6.168414   5.903758   6.502852   6.458357
    22  C    3.666387   5.338479   4.626691   5.583793   6.129249
    23  H    4.681589   6.048959   5.180914   6.445107   6.813010
    24  H    3.183127   4.297533   3.533567   4.665735   5.092641
    25  H    3.937784   5.642647   4.998944   5.656735   6.543054
    26  C    3.654379   5.460408   6.170902   4.343465   5.910182
    27  O    4.167823   5.861057   6.728856   4.791675   6.093430
    28  N    3.271650   5.781058   6.261879   4.837758   6.339962
    29  H    3.974284   5.137047   5.834112   3.890248   5.696187
    30  C    3.594812   5.901166   6.136762   5.001211   6.666214
    31  H    4.620949   6.989706   7.192045   6.066172   7.766134
    32  H    3.110475   5.675140   5.725533   4.999085   6.472384
    33  H    3.832602   5.457580   5.706078   4.450371   6.298349
    34  C    3.545632   6.598316   7.045545   5.838115   7.031125
    35  H    4.641527   7.650459   8.103009   6.822396   8.093132
    36  H    3.488629   6.454075   7.028656   5.751621   6.718402
    37  H    3.255237   6.578360   6.848418   5.994694   7.061418
    38  C    3.466950   4.942419   5.256976   5.411275   4.600297
    39  O    3.762689   4.239338   4.566265   4.930958   3.720811
    40  N    3.290894   5.272387   5.794911   5.404870   4.982153
    41  H    3.875953   5.677068   5.792009   6.202228   5.445837
    42  C    3.477814   4.902849   5.705299   4.805773   4.511208
    43  H    3.370960   3.993323   4.869691   4.014137   3.483407
    44  H    4.574476   5.783252   6.649413   5.683026   5.256767
    45  H    3.180809   5.012130   5.847309   4.630014   4.815857
    46  C    3.705662   6.385748   6.825921   6.365932   6.253568
    47  H    4.058865   6.818979   7.080138   6.945215   6.731868
    48  H    3.197229   6.229071   6.676471   6.014294   6.260899
    49  H    4.688084   7.227513   7.767173   7.145283   7.001133
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098785   0.000000
     8  H    1.102335   1.797361   0.000000
     9  H    1.102456   1.795454   1.791622   0.000000
    10  C    2.488541   3.417840   2.773047   2.746264   0.000000
    11  H    2.637766   3.673317   2.474313   2.900448   1.102032
    12  H    3.396150   4.194345   3.653731   3.786425   1.097886
    13  H    2.899828   3.836726   3.357410   2.732294   1.102634
    14  C    7.185575   7.716616   6.638944   8.010038   6.015668
    15  O    7.628400   8.087622   6.955079   8.489239   6.789740
    16  N    6.871630   7.305979   6.507900   7.752658   5.663620
    17  H    7.266622   7.930830   6.727876   7.976868   5.812628
    18  C    7.079517   7.299261   6.763712   8.069347   6.280598
    19  H    6.414057   6.544827   6.235334   7.423218   5.729683
    20  H    8.102469   8.290304   7.834908   9.090542   7.222791
    21  H    7.133081   7.300957   6.686123   8.154170   6.636260
    22  C    6.722420   7.233944   6.549238   7.503911   5.105139
    23  H    7.654706   8.113993   7.556522   8.434253   5.994258
    24  H    5.877125   6.333461   5.833418   6.671203   4.326142
    25  H    6.780774   7.436476   6.563864   7.447163   4.908321
    26  C    3.919893   4.730059   2.935431   4.199444   3.996408
    27  O    4.022051   4.620411   2.950923   4.301891   4.777156
    28  N    4.761006   5.561092   3.827559   5.201880   4.320953
    29  H    3.554536   4.518833   2.776283   3.614448   3.321777
    30  C    5.288017   6.207123   4.560256   5.656957   4.106847
    31  H    6.308886   7.245261   5.552761   6.597835   5.098017
    32  H    5.515432   6.360305   4.868597   6.037050   4.153566
    33  H    4.804142   5.815252   4.231599   5.019727   3.361385
    34  C    5.711020   6.334487   4.707296   6.296394   5.524776
    35  H    6.626564   7.278479   5.595524   7.114613   6.419196
    36  H    5.431415   5.897026   4.382392   6.083341   5.711771
    37  H    6.102298   6.697573   5.188943   6.792351   5.651468
    38  C    5.500704   5.156626   5.177256   6.592521   6.289992
    39  O    5.079385   4.577883   5.003198   6.156203   5.993709
    40  N    5.220464   4.967951   4.659119   6.260277   6.204298
    41  H    6.439797   6.174611   6.090066   7.538727   6.940570
    42  C    4.264923   3.937187   3.660881   5.217855   5.726399
    43  H    3.498921   3.015923   3.136404   4.489365   5.115691
    44  H    4.958068   4.492206   4.376742   5.817030   6.673586
    45  H    4.009492   3.940143   3.176629   4.878511   5.336489
    46  C    6.196743   6.118244   5.457214   7.187376   6.921420
    47  H    6.963586   6.893033   6.291197   7.992577   7.443070
    48  H    5.860294   5.972179   5.012040   6.790941   6.370978
    49  H    6.789584   6.640627   6.001277   7.726323   7.755308
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794564   0.000000
    13  H    1.790195   1.798743   0.000000
    14  C    5.589019   5.445837   6.981395   0.000000
    15  O    6.255556   6.358516   7.792061   1.242915   0.000000
    16  N    5.482689   4.955654   6.649373   1.360852   2.316314
    17  H    5.327949   5.221799   6.676273   1.108294   2.056746
    18  C    6.207155   5.635960   7.323486   2.470321   2.865838
    19  H    5.814678   5.093543   6.763469   3.265521   3.765960
    20  H    7.209417   6.496109   8.234282   3.090151   3.441517
    21  H    6.431791   6.142305   7.718582   2.572188   2.471531
    22  C    5.125181   4.203720   5.969704   2.466318   3.636414
    23  H    6.118350   5.018912   6.797834   3.171785   4.278710
    24  H    4.520250   3.406823   5.203981   3.199888   4.280871
    25  H    4.818072   4.014912   5.674066   2.552316   3.793655
    26  C    2.951615   4.615043   4.564132   5.685384   5.796662
    27  O    3.842643   5.501096   5.332690   6.456929   6.389782
    28  N    3.277432   4.634552   5.031881   4.503555   4.589145
    29  H    2.274432   4.042309   3.691082   6.108328   6.417655
    30  C    3.129358   4.169186   4.730860   4.071921   4.468363
    31  H    4.117496   5.139212   5.613483   4.477096   4.772472
    32  H    3.354948   3.951242   4.916946   3.028778   3.582139
    33  H    2.401532   3.504349   3.815076   4.780506   5.348760
    34  C    4.558676   5.736506   6.346050   4.171027   3.861721
    35  H    5.396080   6.654653   7.156883   4.815087   4.386193
    36  H    4.811027   6.024870   6.570844   4.706024   4.278917
    37  H    4.788262   5.655229   6.556326   3.128649   2.767355
    38  C    6.237335   6.260764   7.323369   5.531606   5.375092
    39  O    6.144965   5.977623   6.954696   6.223784   6.270202
    40  N    5.936465   6.345060   7.226012   5.497882   5.171244
    41  H    6.869635   6.767081   8.008228   5.172624   4.929534
    42  C    5.427314   6.113130   6.640243   6.314431   6.085831
    43  H    5.001846   5.527632   5.982412   6.569616   6.538861
    44  H    6.367358   7.132732   7.526702   7.295888   6.960313
    45  H    4.849345   5.798442   6.228909   5.967316   5.725838
    46  C    6.467074   7.012825   7.966717   5.034267   4.407801
    47  H    7.046722   7.381321   8.523855   4.706996   4.000877
    48  H    5.784831   6.482384   7.400723   4.411544   3.789207
    49  H    7.251038   7.943285   8.762665   5.996820   5.254149
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057491   0.000000
    18  C    1.466093   3.419150   0.000000
    19  H    2.101740   4.091756   1.101654   0.000000
    20  H    2.121003   3.990919   1.102859   1.790224   0.000000
    21  H    2.103240   3.653348   1.097264   1.798563   1.796556
    22  C    1.463463   2.561759   2.492101   2.623735   2.920429
    23  H    2.117463   3.293917   2.810675   2.971315   2.816489
    24  H    2.106699   3.362017   2.723068   2.392247   3.304248
    25  H    2.106049   2.158987   3.419249   3.635236   3.886182
    26  C    6.161500   5.510123   6.827784   6.760437   7.905528
    27  O    6.918791   6.434688   7.386279   7.280217   8.477777
    28  N    5.161521   4.274853   5.961038   6.078848   6.993859
    29  H    6.462558   5.806423   7.223228   7.065167   8.288262
    30  C    4.739710   3.517645   5.828873   6.008713   6.776693
    31  H    5.347834   3.774301   6.524055   6.836827   7.401508
    32  H    3.670852   2.464798   4.834296   5.082247   5.739183
    33  H    5.223141   4.178365   6.320150   6.344712   7.271317
    34  C    5.031232   4.171246   5.663445   5.961174   6.649742
    35  H    5.839275   4.703570   6.535942   6.933944   7.462877
    36  H    5.410157   4.915917   5.779679   5.975586   6.794050
    37  H    4.080858   3.220205   4.748451   5.178642   5.681302
    38  C    5.027101   6.408632   4.098590   3.579838   4.852590
    39  O    5.523185   7.023827   4.616562   3.837549   5.329285
    40  N    5.311196   6.297680   4.647621   4.336946   5.527726
    41  H    4.644162   6.157519   3.510303   3.158024   4.105352
    42  C    6.189510   6.942508   5.752095   5.342557   6.719099
    43  H    6.260067   7.145390   5.832936   5.238560   6.798633
    44  H    7.214656   7.948302   6.701142   6.310152   7.621542
    45  H    6.039158   6.470011   5.850401   5.565302   6.884039
    46  C    5.163618   5.868269   4.596126   4.635203   5.428855
    47  H    4.775678   5.665550   4.018054   4.194828   4.701468
    48  H    4.753695   5.117564   4.503401   4.650181   5.429662
    49  H    6.222097   6.803429   5.650530   5.712422   6.432500
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.394256   0.000000
    23  H    3.839508   1.102517   0.000000
    24  H    3.612025   1.103110   1.789785   0.000000
    25  H    4.180463   1.098941   1.797526   1.794549   0.000000
    26  C    6.591729   6.454229   7.555683   6.190920   6.132267
    27  O    7.007905   7.353378   8.452702   7.040212   7.152046
    28  N    5.722005   5.568899   6.657916   5.509257   5.193134
    29  H    7.141838   6.506713   7.587562   6.158622   6.095884
    30  C    5.820463   4.873491   5.915182   4.940217   4.258193
    31  H    6.482977   5.520901   6.496153   5.750450   4.789503
    32  H    4.909290   3.828178   4.860255   4.006228   3.239369
    33  H    6.443611   5.072191   6.094126   4.973820   4.402422
    34  C    5.187125   5.798359   6.840638   5.894107   5.565522
    35  H    6.021488   6.628552   7.638369   6.828973   6.299460
    36  H    5.176088   6.265706   7.305631   6.238579   6.196035
    37  H    4.281972   4.971748   5.964296   5.203770   4.793831
    38  C    3.584030   5.816714   6.454328   5.327920   6.569694
    39  O    4.362686   6.038521   6.624142   5.354255   6.820207
    40  N    3.960626   6.213095   7.000664   5.810335   6.793977
    41  H    2.896700   5.580481   6.096700   5.251455   6.417371
    42  C    5.181249   6.908553   7.795933   6.382120   7.349772
    43  H    5.448384   6.767557   7.630346   6.089154   7.229566
    44  H    6.052778   7.985696   8.855522   7.467969   8.438523
    45  H    5.278630   6.756465   7.729007   6.307562   7.043481
    46  C    3.678017   6.310129   7.101994   6.156177   6.811612
    47  H    3.001529   6.034013   6.701755   5.993876   6.635631
    48  H    3.646037   5.881294   6.765850   5.800692   6.225624
    49  H    4.686655   7.395795   8.188979   7.252665   7.866050
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242186   0.000000
    28  N    1.361598   2.314763   0.000000
    29  H    1.107923   2.057795   2.057321   0.000000
    30  C    2.467608   3.635166   1.463885   2.564356   0.000000
    31  H    3.128019   4.214068   2.115969   3.254536   1.103043
    32  H    3.242759   4.336869   2.111677   3.403343   1.102524
    33  H    2.557921   3.799986   2.104335   2.167223   1.099001
    34  C    2.461742   2.848617   1.464954   3.412887   2.498354
    35  H    3.018707   3.304091   2.125178   3.944576   2.962303
    36  H    2.588427   2.509329   2.101306   3.658207   3.388503
    37  H    3.294590   3.813550   2.097250   4.113564   2.610366
    38  C    6.285694   6.164766   6.121657   6.851994   6.846316
    39  O    6.654507   6.559087   6.652064   7.054010   7.302540
    40  N    5.396728   5.111595   5.298579   6.105289   6.243362
    41  H    6.899043   6.868539   6.532848   7.507953   7.143937
    42  C    4.736605   4.233821   5.005109   5.388243   6.115310
    43  H    4.879678   4.493119   5.271842   5.323596   6.248552
    44  H    5.440365   4.728292   5.816087   6.131227   7.028406
    45  H    3.724584   3.175598   4.033130   4.467429   5.247689
    46  C    5.414980   5.141151   5.063851   6.293997   6.038671
    47  H    6.208160   6.073764   5.675130   7.057585   6.467719
    48  H    4.498714   4.327087   4.033048   5.423421   5.024462
    49  H    5.872482   5.390105   5.635697   6.822870   6.750427
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.786843   0.000000
    33  H    1.799770   1.794664   0.000000
    34  C    2.821997   2.731655   3.421047   0.000000
    35  H    2.874163   3.352557   3.918842   1.103508   0.000000
    36  H    3.851384   3.595271   4.168045   1.097528   1.795811
    37  H    2.947782   2.387014   3.624984   1.099366   1.790661
    38  C    7.772151   6.361552   7.221708   5.768970   6.752915
    39  O    8.308035   6.842960   7.504270   6.541991   7.580350
    40  N    7.109194   5.922500   6.701519   4.817445   5.736067
    41  H    8.001321   6.528269   7.619141   6.028404   6.964735
    42  C    7.015466   6.034539   6.426130   4.768472   5.667414
    43  H    7.237208   6.157160   6.384031   5.314296   6.286793
    44  H    7.876631   7.020857   7.353866   5.484966   6.270726
    45  H    6.096389   5.298201   5.594940   3.816079   4.680226
    46  C    6.736651   5.701171   6.709455   4.207978   4.968423
    47  H    7.124997   5.964771   7.190621   4.754064   5.483940
    48  H    5.672340   4.746057   5.756756   3.108863   3.880530
    49  H    7.376421   6.530032   7.446528   4.671841   5.271840
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795026   0.000000
    38  C    5.134386   5.463744   0.000000
    39  O    5.940088   6.300149   1.243767   0.000000
    40  N    4.032208   4.686843   1.360395   2.315052   0.000000
    41  H    5.487679   5.542773   1.108397   2.057941   2.058434
    42  C    3.875774   4.955576   2.467875   2.860003   1.465453
    43  H    4.543164   5.489163   2.565732   2.457340   2.103138
    44  H    4.488017   5.762930   3.102450   3.456762   2.122670
    45  H    2.901068   4.163292   3.252950   3.745641   2.098916
    46  C    3.429777   3.981767   2.467470   3.635135   1.462692
    47  H    4.149920   4.288229   2.556458   3.798781   2.106059
    48  H    2.381655   2.910731   3.159602   4.231150   2.108885
    49  H    3.760692   4.607904   3.211399   4.318860   2.111832
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.418133   0.000000
    43  H    3.647559   1.097689   0.000000
    44  H    4.005291   1.101998   1.798418   0.000000
    45  H    4.080499   1.100516   1.794619   1.788206   0.000000
    46  C    2.567982   2.486842   3.384473   2.934720   2.601989
    47  H    2.167116   3.417460   4.181943   3.880019   3.634652
    48  H    3.312657   2.745404   3.605339   3.364106   2.409503
    49  H    3.355967   2.771251   3.810228   2.803258   2.886221
                   46         47         48         49
    46  C    0.000000
    47  H    1.098641   0.000000
    48  H    1.103904   1.797720   0.000000
    49  H    1.102258   1.795365   1.790651   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2165828      0.1966779      0.1831348
 Leave Link  202 at Mon Nov 14 05:22:40 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.4264603460 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1855216991 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.2409386470 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4047
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.51D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     217
 GePol: Fraction of low-weight points (<1% of avg)   =       5.36%
 GePol: Cavity surface area                          =    469.634 Ang**2
 GePol: Cavity volume                                =    458.832 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0041150841 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.2368235629 Hartrees.
 Leave Link  301 at Mon Nov 14 05:22:40 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11994 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.46D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:22:42 2016, MaxMem=  2952790016 cpu:        14.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:22:42 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.010865   -0.009363   -0.001593
         Rot=    1.000000    0.000400   -0.000386    0.000603 Ang=   0.09 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50858791513    
 Leave Link  401 at Mon Nov 14 05:22:49 2016, MaxMem=  2952790016 cpu:        79.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49134627.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.11D-14 for   1995.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.77D-15 for   2440    164.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.21D-15 for   1995.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.37D-10 for   2630   2133.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.77D-15 for    286.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.43D-14 for   2240    137.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for    129.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.80D-16 for   1982    841.
 E= -1013.44845420015    
 DIIS: error= 1.08D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44845420015     IErMin= 1 ErrMin= 1.08D-03
 ErrMax= 1.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-03 BMatP= 1.68D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.08D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 GapD=    0.326 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.06D-04 MaxDP=8.32D-03              OVMax= 1.07D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.06D-04    CP:  1.00D+00
 E= -1013.45130996585     Delta-E=       -0.002855765706 Rises=F Damp=F
 DIIS: error= 1.78D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45130996585     IErMin= 2 ErrMin= 1.78D-04
 ErrMax= 1.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-05 BMatP= 1.68D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.78D-03
 Coeff-Com:  0.225D-01 0.977D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.225D-01 0.978D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=5.01D-05 MaxDP=3.70D-03 DE=-2.86D-03 OVMax= 5.11D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.93D-05    CP:  1.00D+00  9.56D-01
 E= -1013.45119650259     Delta-E=        0.000113463264 Rises=F Damp=F
 DIIS: error= 4.95D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45130996585     IErMin= 2 ErrMin= 1.78D-04
 ErrMax= 4.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-04 BMatP= 3.29D-05
 IDIUse=3 WtCom= 3.10D-01 WtEn= 6.90D-01
 Coeff-Com:  0.240D-02 0.708D+00 0.290D+00
 Coeff-En:   0.000D+00 0.786D+00 0.214D+00
 Coeff:      0.744D-03 0.762D+00 0.237D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.96D-05 MaxDP=2.51D-03 DE= 1.13D-04 OVMax= 3.71D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.25D-05    CP:  1.00D+00  9.70D-01  4.59D-01
 E= -1013.45133736160     Delta-E=       -0.000140859010 Rises=F Damp=F
 DIIS: error= 4.15D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45133736160     IErMin= 4 ErrMin= 4.15D-05
 ErrMax= 4.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-06 BMatP= 3.29D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.796D-04 0.258D+00 0.442D-01 0.698D+00
 Coeff:     -0.796D-04 0.258D+00 0.442D-01 0.698D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.94D-06 MaxDP=3.64D-04 DE=-1.41D-04 OVMax= 2.76D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.30D-06    CP:  1.00D+00  9.77D-01  3.63D-01  7.11D-01
 E= -1013.45133914523     Delta-E=       -0.000001783626 Rises=F Damp=F
 DIIS: error= 2.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45133914523     IErMin= 5 ErrMin= 2.94D-05
 ErrMax= 2.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-07 BMatP= 2.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.148D-04 0.146D+00 0.193D-01 0.450D+00 0.385D+00
 Coeff:     -0.148D-04 0.146D+00 0.193D-01 0.450D+00 0.385D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.53D-06 MaxDP=9.79D-05 DE=-1.78D-06 OVMax= 1.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.00D+00  9.77D-01  3.61D-01  7.32D-01  6.99D-01
 E= -1013.45133947068     Delta-E=       -0.000000325451 Rises=F Damp=F
 DIIS: error= 3.82D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45133947068     IErMin= 6 ErrMin= 3.82D-06
 ErrMax= 3.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.77D-09 BMatP= 3.82D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.207D-04 0.424D-01 0.458D-02 0.140D+00 0.169D+00 0.644D+00
 Coeff:     -0.207D-04 0.424D-01 0.458D-02 0.140D+00 0.169D+00 0.644D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.00D-07 MaxDP=1.57D-05 DE=-3.25D-07 OVMax= 1.65D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.55D-07    CP:  1.00D+00  9.77D-01  3.62D-01  7.36D-01  6.97D-01
                    CP:  8.74D-01
 E= -1013.45133947559     Delta-E=       -0.000000004913 Rises=F Damp=F
 DIIS: error= 1.39D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45133947559     IErMin= 7 ErrMin= 1.39D-06
 ErrMax= 1.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-09 BMatP= 6.77D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-04 0.124D-01 0.105D-02 0.437D-01 0.646D-01 0.372D+00
 Coeff-Com:  0.506D+00
 Coeff:     -0.133D-04 0.124D-01 0.105D-02 0.437D-01 0.646D-01 0.372D+00
 Coeff:      0.506D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.17D-07 MaxDP=6.19D-06 DE=-4.91D-09 OVMax= 8.33D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.80D-08    CP:  1.00D+00  9.77D-01  3.62D-01  7.37D-01  6.98D-01
                    CP:  8.76D-01  7.10D-01
 E= -1013.45133947679     Delta-E=       -0.000000001198 Rises=F Damp=F
 DIIS: error= 6.55D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45133947679     IErMin= 8 ErrMin= 6.55D-07
 ErrMax= 6.55D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-10 BMatP= 1.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.660D-05 0.440D-02 0.329D-03 0.162D-01 0.272D-01 0.184D+00
 Coeff-Com:  0.325D+00 0.444D+00
 Coeff:     -0.660D-05 0.440D-02 0.329D-03 0.162D-01 0.272D-01 0.184D+00
 Coeff:      0.325D+00 0.444D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.50D-08 MaxDP=4.50D-06 DE=-1.20D-09 OVMax= 5.39D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.05D-08    CP:  1.00D+00  9.77D-01  3.62D-01  7.37D-01  6.99D-01
                    CP:  8.80D-01  7.29D-01  5.90D-01
 E= -1013.45133947684     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 3.87D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45133947684     IErMin= 9 ErrMin= 3.87D-07
 ErrMax= 3.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.89D-11 BMatP= 1.92D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.244D-05 0.557D-03 0.353D-04 0.247D-02 0.620D-02 0.571D-01
 Coeff-Com:  0.142D+00 0.376D+00 0.416D+00
 Coeff:     -0.244D-05 0.557D-03 0.353D-04 0.247D-02 0.620D-02 0.571D-01
 Coeff:      0.142D+00 0.376D+00 0.416D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.37D-08 MaxDP=1.79D-06 DE=-4.82D-11 OVMax= 2.04D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.07D-08    CP:  1.00D+00  9.77D-01  3.62D-01  7.37D-01  7.00D-01
                    CP:  8.83D-01  7.27D-01  6.55D-01  5.11D-01
 E= -1013.45133947682     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 2.03D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -1013.45133947684     IErMin=10 ErrMin= 2.03D-08
 ErrMax= 2.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.55D-13 BMatP= 7.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.715D-06 0.577D-04 0.775D-05 0.363D-03 0.141D-02 0.152D-01
 Coeff-Com:  0.427D-01 0.126D+00 0.156D+00 0.658D+00
 Coeff:     -0.715D-06 0.577D-04 0.775D-05 0.363D-03 0.141D-02 0.152D-01
 Coeff:      0.427D-01 0.126D+00 0.156D+00 0.658D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.79D-09 MaxDP=1.00D-07 DE= 1.68D-11 OVMax= 1.18D-07

 Error on total polarization charges =  0.04300
 SCF Done:  E(RB97D) =  -1013.45133948     A.U. after   10 cycles
            NFock= 10  Conv=0.28D-08     -V/T= 2.0213
 KE= 9.923475367544D+02 PE=-6.033946764443D+03 EE= 2.176911064649D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.58
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:24:52 2016, MaxMem=  2952790016 cpu:      1417.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11994 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     369
 Leave Link  701 at Mon Nov 14 05:25:00 2016, MaxMem=  2952790016 cpu:        97.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:25:00 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:25:37 2016, MaxMem=  2952790016 cpu:       441.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21326895D+00-2.57405842D+00 3.31303082D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55          -0.000409664    0.000639104   -0.000113066
      2        6           0.000250326    0.000231303    0.000137780
      3        8          -0.000073388    0.000045351    0.000047931
      4        7          -0.000119887   -0.000242016   -0.000425939
      5        1          -0.000002497   -0.000058809    0.000055623
      6        6           0.000326448   -0.000076138    0.000170844
      7        1          -0.000102645   -0.000091449   -0.000014512
      8        1          -0.000069311    0.000382786   -0.000062566
      9        1          -0.000067548   -0.000080108    0.000108956
     10        6           0.000581846   -0.000283454   -0.000043594
     11        1          -0.000149239    0.000439919   -0.000044061
     12        1          -0.000047803    0.000188760   -0.000071404
     13        1          -0.000044206   -0.000009892    0.000053110
     14        6           0.000186414    0.000042932    0.000466723
     15        8          -0.000162817   -0.000219791   -0.000315908
     16        7          -0.000406408   -0.000074447   -0.000088103
     17        1          -0.000007686    0.000195653   -0.000219294
     18        6           0.000081185    0.000005264   -0.000078489
     19        1           0.000065587   -0.000290963    0.000092436
     20        1           0.000013158   -0.000018708   -0.000072574
     21        1           0.000200719    0.000050687   -0.000054611
     22        6          -0.000009674    0.000166941   -0.000211489
     23        1          -0.000063732    0.000076610    0.000089202
     24        1          -0.000112308   -0.000088297    0.000087513
     25        1          -0.000071572   -0.000062051    0.000045327
     26        6           0.000080158   -0.000484022    0.000147935
     27        8          -0.000652061   -0.000159399   -0.000130834
     28        7          -0.000026949    0.000386112   -0.000128716
     29        1           0.000200199    0.000047854    0.000039363
     30        6           0.000137605   -0.000277421    0.000227180
     31        1           0.000069471   -0.000054860   -0.000207168
     32        1           0.000359818    0.000046217    0.000234258
     33        1          -0.000072155    0.000075577    0.000034057
     34        6           0.000037900   -0.000364324    0.000154565
     35        1           0.000010702   -0.000000058   -0.000036539
     36        1          -0.000043227   -0.000057169   -0.000118488
     37        1          -0.000099123   -0.000108422   -0.000192665
     38        6          -0.000900592   -0.000207020   -0.001097261
     39        8           0.000319957   -0.000412447    0.000719536
     40        7           0.000893490    0.000363263    0.000075596
     41        1          -0.000066286    0.000160636    0.000242584
     42        6           0.000248833   -0.000095146   -0.000437541
     43        1           0.000003761    0.000293892    0.000142793
     44        1          -0.000342604    0.000089033    0.000121335
     45        1           0.000345372    0.000029343    0.000280337
     46        6          -0.000070442   -0.000013262    0.000813348
     47        1           0.000120540   -0.000066142   -0.000135109
     48        1          -0.000390733    0.000009788   -0.000213195
     49        1           0.000051068   -0.000071208   -0.000075206
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001097261 RMS     0.000261821
 Leave Link  716 at Mon Nov 14 05:25:37 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000871653 RMS     0.000074437
 Search for a local minimum.
 Step number 120 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .74437D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    117  118  119  120
 DE=  1.16D-04 DEPred=-1.87D-05 R=-6.24D+00
 Trust test=-6.24D+00 RLast= 4.02D-01 DXMaxT set to 6.73D-02
 ITU= -1  1 -1  0 -1  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1
 ITU=  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1
 ITU=  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00009   0.00057   0.00080   0.00103
     Eigenvalues ---    0.00124   0.00146   0.00175   0.00201   0.00213
     Eigenvalues ---    0.00235   0.00283   0.00347   0.00438   0.00452
     Eigenvalues ---    0.00564   0.00658   0.00743   0.00770   0.00844
     Eigenvalues ---    0.00860   0.00921   0.00974   0.01014   0.01098
     Eigenvalues ---    0.01171   0.01225   0.01270   0.01353   0.01440
     Eigenvalues ---    0.01551   0.01577   0.01712   0.01741   0.01764
     Eigenvalues ---    0.01784   0.01823   0.01912   0.02017   0.02072
     Eigenvalues ---    0.02215   0.02284   0.02393   0.02437   0.02461
     Eigenvalues ---    0.02531   0.02679   0.03003   0.03216   0.03302
     Eigenvalues ---    0.03743   0.04419   0.04465   0.04668   0.05559
     Eigenvalues ---    0.05579   0.05913   0.06046   0.06224   0.06277
     Eigenvalues ---    0.06502   0.06714   0.06880   0.07101   0.07269
     Eigenvalues ---    0.07614   0.07638   0.07866   0.08088   0.08201
     Eigenvalues ---    0.08408   0.08503   0.08818   0.09025   0.09174
     Eigenvalues ---    0.09295   0.09458   0.09519   0.09739   0.09937
     Eigenvalues ---    0.10143   0.10192   0.10471   0.10574   0.10859
     Eigenvalues ---    0.11137   0.11212   0.11343   0.12055   0.13008
     Eigenvalues ---    0.13375   0.14188   0.14335   0.14902   0.15132
     Eigenvalues ---    0.15364   0.15663   0.21339   0.22330   0.22777
     Eigenvalues ---    0.24207   0.24521   0.24913   0.25307   0.25951
     Eigenvalues ---    0.27213   0.27465   0.28128   0.28650   0.29384
     Eigenvalues ---    0.29880   0.31765   0.32785   0.32821   0.32865
     Eigenvalues ---    0.32975   0.33275   0.33310   0.33368   0.33375
     Eigenvalues ---    0.33396   0.33424   0.33464   0.33556   0.33721
     Eigenvalues ---    0.33808   0.33827   0.33836   0.33952   0.33999
     Eigenvalues ---    0.34067   0.34220   0.34279   0.36300   0.38433
     Eigenvalues ---    0.40681   0.48214   0.86197   0.86324   0.87323
     Eigenvalues ---    0.90068
 Eigenvalue     1 is   1.12D-05 Eigenvector:
                         D389      D403      D405      D407      D391
   1                   -0.22295  -0.22059  -0.22031  -0.21669  -0.21605
                         D383      D385      D381      D387      D393
   1                   -0.20960  -0.20420  -0.20371  -0.20166  -0.19960
 Eigenvalue     2 is   8.69D-05 Eigenvector:
                          R4        D80       D82      D379      D397
   1                    0.13788   0.13159   0.13025  -0.11977  -0.11974
                         D101       D72      D377      D412       D74
   1                    0.11711   0.11690  -0.11667  -0.11628   0.11577
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   120  119  118  117  116
 RFO step:  Lambda=-2.24441077D-05.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.86D-04 SmlDif=  1.00D-05
 RMS Error=  0.5090604887D-03 NUsed= 5 EDIIS=F
 DidBck=T Rises=F RFO-DIIS coefs:    0.08062    0.66310    0.13154    0.12795   -0.00320
 Iteration  1 RMS(Cart)=  0.01372210 RMS(Int)=  0.00020173
 Iteration  2 RMS(Cart)=  0.00017168 RMS(Int)=  0.00001462
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00001462
 ITry= 1 IFail=0 DXMaxC= 1.38D-01 DCOld= 1.00D+10 DXMaxT= 6.73D-02 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.57824  -0.00002   0.01290  -0.00070   0.01219   6.59044
    R2        6.23433   0.00004   0.01119   0.00012   0.01132   6.24564
    R3        7.16972  -0.00009   0.00448   0.00084   0.00533   7.17505
    R4        6.23714   0.00018  -0.01201   0.00221  -0.00980   6.22733
    R5        6.52027   0.00023   0.00945   0.00058   0.01003   6.53030
    R6        5.92284   0.00002   0.04106   0.00109   0.04214   5.96498
    R7        6.68348   0.00000   0.00355   0.00133   0.00487   6.68835
    R8        6.20995   0.00005   0.00226   0.00060   0.00284   6.21279
    R9        6.64177   0.00000  -0.00774   0.00152  -0.00620   6.63557
   R10        6.02344   0.00004   0.02818   0.00268   0.03086   6.05431
   R11        6.92847  -0.00001   0.00343  -0.00017   0.00325   6.93171
   R12        6.01524   0.00002   0.00120  -0.00060   0.00061   6.01585
   R13        6.90578  -0.00043  -0.02215   0.00166  -0.02048   6.88529
   R14        6.18252  -0.00004   0.00939  -0.00064   0.00875   6.19128
   R15        6.79321   0.00033   0.03968  -0.00081   0.03888   6.83209
   R16        5.87795   0.00031   0.05294  -0.00010   0.05284   5.93078
   R17        6.70027  -0.00022  -0.00256  -0.00063  -0.00319   6.69708
   R18        6.55159   0.00004  -0.00790   0.00051  -0.00740   6.54419
   R19        6.21889   0.00000   0.00187   0.00024   0.00211   6.22100
   R20        6.57212   0.00005  -0.00258   0.00023  -0.00234   6.56977
   R21        6.01086   0.00019   0.02543   0.00088   0.02631   6.03716
   R22        7.00269   0.00024   0.02588  -0.00002   0.02588   7.02856
   R23        6.04189  -0.00003   0.00879  -0.00071   0.00806   6.04995
   R24        2.34924   0.00001   0.00025   0.00000   0.00024   2.34948
   R25        2.57282  -0.00012  -0.00083   0.00000  -0.00083   2.57199
   R26        2.09475  -0.00006   0.00002   0.00000   0.00002   2.09477
   R27        2.76455   0.00010   0.00086  -0.00002   0.00085   2.76539
   R28        2.76787   0.00004   0.00094   0.00002   0.00097   2.76884
   R29        2.07640   0.00001   0.00019   0.00000   0.00019   2.07659
   R30        2.08311  -0.00013  -0.00021  -0.00004  -0.00026   2.08285
   R31        2.08334  -0.00014  -0.00076   0.00001  -0.00074   2.08260
   R32        2.08254  -0.00014  -0.00166  -0.00001  -0.00168   2.08086
   R33        2.07470  -0.00009  -0.00004  -0.00001  -0.00006   2.07465
   R34        2.08368  -0.00007  -0.00024   0.00000  -0.00023   2.08344
   R35        2.34877  -0.00030  -0.00019   0.00001  -0.00018   2.34859
   R36        2.57164   0.00005   0.00000  -0.00003   0.00004   2.57168
   R37        2.09437  -0.00001  -0.00001   0.00001   0.00000   2.09437
   R38        2.77051  -0.00023  -0.00090  -0.00017  -0.00111   2.76941
   R39        2.76554  -0.00007  -0.00026  -0.00003  -0.00027   2.76528
   R40        2.08182  -0.00014  -0.00088  -0.00008  -0.00097   2.08085
   R41        2.08410   0.00000  -0.00005   0.00002  -0.00004   2.08406
   R42        2.07353   0.00000   0.00028  -0.00003   0.00024   2.07377
   R43        2.08346  -0.00005  -0.00015   0.00000  -0.00016   2.08330
   R44        2.08458  -0.00007  -0.00108  -0.00002  -0.00110   2.08348
   R45        2.07670  -0.00004  -0.00008   0.00001  -0.00008   2.07662
   R46        2.34739  -0.00014   0.00064   0.00002   0.00066   2.34805
   R47        2.57305  -0.00030  -0.00098   0.00002  -0.00098   2.57207
   R48        2.09367   0.00006  -0.00004  -0.00003  -0.00007   2.09360
   R49        2.76634  -0.00004  -0.00040   0.00002  -0.00040   2.76594
   R50        2.76836   0.00000   0.00009   0.00002   0.00011   2.76847
   R51        2.08445  -0.00001   0.00003   0.00001   0.00004   2.08449
   R52        2.08347  -0.00009  -0.00065  -0.00003  -0.00070   2.08277
   R53        2.07681  -0.00003  -0.00041  -0.00002  -0.00044   2.07637
   R54        2.08533  -0.00002  -0.00009   0.00002  -0.00006   2.08527
   R55        2.07403  -0.00004  -0.00013  -0.00001  -0.00014   2.07389
   R56        2.07750   0.00014   0.00015  -0.00004   0.00011   2.07761
   R57        2.35038  -0.00087  -0.00090   0.00007  -0.00083   2.34955
   R58        2.57077   0.00052   0.00110  -0.00013   0.00096   2.57174
   R59        2.09457   0.00000  -0.00003  -0.00002  -0.00006   2.09451
   R60        2.76930  -0.00005   0.00034  -0.00001   0.00033   2.76964
   R61        2.76409   0.00018   0.00133   0.00010   0.00142   2.76551
   R62        2.07433  -0.00004   0.00004   0.00001   0.00005   2.07438
   R63        2.08247   0.00019   0.00082   0.00000   0.00081   2.08329
   R64        2.07967   0.00019   0.00071  -0.00002   0.00068   2.08035
   R65        2.07613  -0.00007  -0.00004  -0.00001  -0.00006   2.07608
   R66        2.08608  -0.00021  -0.00058   0.00001  -0.00060   2.08548
   R67        2.08297  -0.00009  -0.00084  -0.00001  -0.00084   2.08213
    A1        0.68687  -0.00002  -0.00111  -0.00002  -0.00113   0.68574
    A2        0.96602  -0.00002  -0.00261   0.00002  -0.00257   0.96345
    A3        0.72859   0.00002  -0.00135   0.00003  -0.00132   0.72728
    A4        1.02381  -0.00005  -0.00347   0.00000  -0.00347   1.02035
    A5        2.38328   0.00001  -0.00673   0.00038  -0.00630   2.37698
    A6        2.04327   0.00001  -0.00052   0.00046  -0.00004   2.04323
    A7        1.96098   0.00003   0.01072   0.00044   0.01117   1.97215
    A8        1.66080   0.00005   0.01011   0.00044   0.01056   1.67136
    A9        1.68620   0.00002  -0.00515   0.00046  -0.00469   1.68151
   A10        1.39933   0.00003  -0.00361   0.00048  -0.00314   1.39620
   A11        1.74237   0.00001  -0.00525   0.00015  -0.00509   1.73728
   A12        2.05481  -0.00002  -0.00868  -0.00005  -0.00871   2.04610
   A13        1.97241   0.00000  -0.01476  -0.00025  -0.01500   1.95741
   A14        2.07249   0.00002  -0.01667  -0.00015  -0.01680   2.05569
   A15        2.43960   0.00001  -0.00364   0.00006  -0.00356   2.43605
   A16        1.58281   0.00001   0.01644   0.00059   0.01702   1.59983
   A17        1.78411   0.00001   0.01373   0.00051   0.01424   1.79835
   A18        1.56357  -0.00002   0.00973   0.00039   0.01013   1.57370
   A19        1.70150   0.00000   0.00845   0.00046   0.00892   1.71042
   A20        2.18784   0.00002   0.01178   0.00052   0.01230   2.20014
   A21        2.40315  -0.00002   0.01463   0.00044   0.01508   2.41823
   A22        0.65012   0.00003   0.00112  -0.00012   0.00101   0.65113
   A23        0.66499  -0.00007  -0.00373  -0.00007  -0.00379   0.66120
   A24        2.46694  -0.00004  -0.01757   0.00052  -0.01703   2.44991
   A25        2.26447  -0.00003  -0.00773   0.00064  -0.00707   2.25739
   A26        2.31837  -0.00001   0.00641   0.00056   0.00700   2.32537
   A27        2.03964   0.00001   0.00716   0.00052   0.00769   2.04733
   A28        1.85799  -0.00002  -0.00871   0.00063  -0.00808   1.84991
   A29        1.60666  -0.00001  -0.00527   0.00066  -0.00462   1.60203
   A30        1.34609   0.00003  -0.00388   0.00012  -0.00375   1.34234
   A31        1.65504   0.00000  -0.00773  -0.00009  -0.00781   1.64723
   A32        1.62165  -0.00001  -0.01486  -0.00029  -0.01514   1.60651
   A33        1.78846  -0.00002  -0.01779  -0.00018  -0.01796   1.77050
   A34        2.04239   0.00003  -0.00336   0.00002  -0.00333   2.03906
   A35        1.85337   0.00005   0.01444   0.00071   0.01514   1.86851
   A36        1.92341   0.00002   0.01052   0.00064   0.01116   1.93456
   A37        1.57587   0.00001   0.00762   0.00055   0.00817   1.58404
   A38        1.59156   0.00003   0.00624   0.00061   0.00686   1.59842
   A39        2.27927   0.00005   0.00671   0.00053   0.00725   2.28652
   A40        2.36621   0.00004   0.01132   0.00036   0.01170   2.37791
   A41        0.69512   0.00000   0.00005  -0.00012  -0.00007   0.69504
   A42        0.75867  -0.00008  -0.00488  -0.00016  -0.00505   0.75363
   A43        2.74259  -0.00001  -0.02130   0.00042  -0.02087   2.72171
   A44        2.65364  -0.00001  -0.00879   0.00058  -0.00817   2.64547
   A45        2.63901   0.00002   0.01148   0.00035   0.01188   2.65089
   A46        2.32639   0.00004   0.01122   0.00037   0.01161   2.33799
   A47        2.24435   0.00000  -0.00906   0.00057  -0.00849   2.23586
   A48        1.99827   0.00001  -0.00525   0.00059  -0.00467   1.99360
   A49        1.10785   0.00002  -0.00552   0.00010  -0.00542   1.10243
   A50        1.47270   0.00000  -0.00653  -0.00009  -0.00660   1.46610
   A51        1.59447  -0.00001  -0.01430  -0.00029  -0.01457   1.57989
   A52        1.84320  -0.00003  -0.01699  -0.00020  -0.01718   1.82602
   A53        1.78235   0.00003   0.00024   0.00007   0.00033   1.78268
   A54        1.71741   0.00004   0.01034   0.00079   0.01112   1.72853
   A55        1.65212  -0.00001   0.00692   0.00072   0.00763   1.65975
   A56        1.25083  -0.00001   0.00555   0.00067   0.00621   1.25705
   A57        1.21373   0.00000   0.00522   0.00071   0.00594   1.21966
   A58        1.94479   0.00002   0.00349   0.00055   0.00404   1.94883
   A59        1.98328   0.00002   0.01024   0.00041   0.01065   1.99394
   A60        0.84549   0.00002   0.00534  -0.00034   0.00501   0.85051
   A61        0.78777  -0.00004   0.00212  -0.00046   0.00166   0.78943
   A62        2.65838   0.00002  -0.01097  -0.00004  -0.01099   2.64739
   A63        2.83189   0.00003  -0.00819   0.00034  -0.00784   2.82405
   A64        2.58149   0.00003   0.00843   0.00047   0.00892   2.59041
   A65        2.44453   0.00003  -0.00514   0.00041  -0.00472   2.43981
   A66        2.23804   0.00003  -0.00228   0.00050  -0.00177   2.23627
   A67        0.86586   0.00004  -0.00110  -0.00012  -0.00123   0.86462
   A68        1.24330   0.00002  -0.00031  -0.00029  -0.00061   1.24269
   A69        1.44317   0.00002  -0.00598  -0.00052  -0.00651   1.43666
   A70        1.72406  -0.00001  -0.00787  -0.00045  -0.00832   1.71574
   A71        1.51495   0.00005   0.00460  -0.00004   0.00455   1.51949
   A72        1.74163   0.00002  -0.00113   0.00104  -0.00010   1.74153
   A73        1.57005  -0.00005  -0.00353   0.00096  -0.00259   1.56746
   A74        1.14001  -0.00005  -0.00381   0.00095  -0.00288   1.13713
   A75        1.02384  -0.00003  -0.00196   0.00095  -0.00103   1.02282
   A76        1.78315  -0.00001  -0.00496   0.00069  -0.00429   1.77887
   A77        1.76170   0.00001   0.00479   0.00050   0.00527   1.76697
   A78        2.07424  -0.00002  -0.01980   0.00056  -0.01923   2.05501
   A79        1.99688   0.00000  -0.01287   0.00075  -0.01211   1.98477
   A80        2.24747   0.00000  -0.00341   0.00073  -0.00266   2.24481
   A81        2.08217   0.00002  -0.00107   0.00064  -0.00042   2.08175
   A82        1.59906   0.00001  -0.01043   0.00075  -0.00969   1.58937
   A83        1.41898   0.00003  -0.00582   0.00080  -0.00503   1.41395
   A84        1.19359   0.00000  -0.00018   0.00011  -0.00006   1.19354
   A85        1.39547  -0.00003  -0.00698  -0.00009  -0.00706   1.38840
   A86        1.24407  -0.00002  -0.01326  -0.00028  -0.01353   1.23054
   A87        1.36777  -0.00001  -0.01675  -0.00017  -0.01691   1.35086
   A88        1.82051  -0.00001  -0.00642  -0.00004  -0.00644   1.81407
   A89        2.28324   0.00004   0.01436   0.00067   0.01503   2.29827
   A90        2.33769   0.00000   0.00840   0.00061   0.00901   2.34670
   A91        1.94584  -0.00001   0.00546   0.00055   0.00601   1.95185
   A92        1.86931  -0.00002   0.00312   0.00061   0.00374   1.87305
   A93        2.62771   0.00001   0.00104   0.00037   0.00142   2.62913
   A94        2.56216   0.00002   0.00372   0.00008   0.00382   2.56598
   A95        1.98414   0.00007  -0.01643   0.00057  -0.01584   1.96830
   A96        2.04671   0.00008  -0.01054   0.00077  -0.00976   2.03696
   A97        2.40718   0.00004  -0.00465   0.00074  -0.00390   2.40328
   A98        2.33509   0.00003  -0.00164   0.00066  -0.00096   2.33413
   A99        1.70178   0.00008  -0.00604   0.00080  -0.00524   1.69653
   A100       1.59470   0.00007  -0.00142   0.00084  -0.00059   1.59411
   A101       0.88732   0.00001  -0.00091   0.00011  -0.00079   0.88653
   A102       1.07339   0.00001  -0.00656  -0.00007  -0.00663   1.06676
   A103       0.95840   0.00005  -0.01131  -0.00023  -0.01154   0.94686
   A104       1.13432   0.00006  -0.01355  -0.00010  -0.01364   1.12067
   A105       1.49814   0.00003  -0.00602  -0.00002  -0.00603   1.49211
   A106       2.47359  -0.00003   0.00638   0.00064   0.00702   2.48061
   A107       2.35629  -0.00010  -0.00244   0.00048  -0.00196   2.35434
   A108       1.92382  -0.00009  -0.00288   0.00049  -0.00240   1.92142
   A109       1.75108  -0.00009  -0.00457   0.00055  -0.00403   1.74705
   A110       2.47580  -0.00005  -0.00931   0.00010  -0.00921   2.46658
   A111       2.30438   0.00001  -0.00292  -0.00006  -0.00298   2.30139
   A112       0.71582  -0.00003  -0.00030  -0.00018  -0.00048   0.71534
   A113       1.00930  -0.00005  -0.00135  -0.00027  -0.00161   1.00769
   A114       0.69804  -0.00001  -0.00034  -0.00008  -0.00040   0.69764
   A115       0.98748  -0.00002  -0.00071  -0.00010  -0.00079   0.98669
   A116       1.82341  -0.00002  -0.00643   0.00006  -0.00637   1.81703
   A117       1.44383   0.00000  -0.00811   0.00017  -0.00795   1.43589
   A118       1.21528   0.00001  -0.00503   0.00049  -0.00454   1.21074
   A119       0.93810   0.00003  -0.00363   0.00045  -0.00317   0.93494
   A120       1.25947  -0.00004  -0.01005  -0.00019  -0.01025   1.24922
   A121       1.82093  -0.00003   0.01148  -0.00118   0.01030   1.83123
   A122       1.87120   0.00002   0.01140  -0.00117   0.01024   1.88144
   A123       2.24037   0.00003   0.00964  -0.00107   0.00859   2.24897
   A124       2.18588   0.00000   0.00282  -0.00098   0.00187   2.18775
   A125       1.53658  -0.00001   0.01122  -0.00105   0.01017   1.54675
   A126       1.42574   0.00001   0.00080  -0.00090  -0.00012   1.42562
   A127       0.66063  -0.00006  -0.00237  -0.00023  -0.00260   0.65804
   A128       0.66265  -0.00002  -0.00031  -0.00002  -0.00033   0.66233
   A129       2.18343   0.00000  -0.00509   0.00012  -0.00496   2.17847
   A130       1.81212   0.00001  -0.00733   0.00014  -0.00718   1.80493
   A131       1.51758   0.00003  -0.00332   0.00044  -0.00287   1.51471
   A132       1.22137   0.00006  -0.00193   0.00038  -0.00153   1.21984
   A133       1.65427  -0.00003  -0.01033  -0.00028  -0.01061   1.64366
   A134       1.67867  -0.00006   0.01177  -0.00118   0.01059   1.68926
   A135       1.87992   0.00002   0.01230  -0.00126   0.01104   1.89096
   A136       2.31101   0.00002   0.01223  -0.00128   0.01096   2.32196
   A137       2.40994   0.00001   0.00636  -0.00134   0.00505   2.41499
   A138       1.65845  -0.00001   0.01103  -0.00112   0.00991   1.66836
   A139       1.64589  -0.00001  -0.00112  -0.00099  -0.00211   1.64378
   A140       0.70761  -0.00004   0.00033  -0.00007   0.00025   0.70786
   A141       0.83184  -0.00003   0.00091  -0.00008   0.00083   0.83267
   A142       2.52189  -0.00005  -0.00849  -0.00026  -0.00874   2.51314
   A143       2.14427  -0.00003  -0.00950  -0.00006  -0.00956   2.13470
   A144       1.92229  -0.00002  -0.00442   0.00032  -0.00410   1.91819
   A145       1.63223   0.00001  -0.00266   0.00028  -0.00238   1.62985
   A146       1.86177  -0.00005  -0.01235  -0.00042  -0.01276   1.84901
   A147       1.25477  -0.00002   0.01124  -0.00104   0.01020   1.26496
   A148       1.50233   0.00006   0.01139  -0.00112   0.01028   1.51261
   A149       1.93195   0.00004   0.01183  -0.00114   0.01070   1.94266
   A150       2.12447   0.00004   0.00810  -0.00130   0.00682   2.13128
   A151       1.37919   0.00001   0.00893  -0.00096   0.00798   1.38717
   A152       1.46852  -0.00002  -0.00385  -0.00086  -0.00471   1.46381
   A153       0.77376  -0.00006  -0.00480  -0.00021  -0.00501   0.76875
   A154       0.76990  -0.00005  -0.00464  -0.00019  -0.00485   0.76506
   A155       2.83203  -0.00007  -0.00792  -0.00025  -0.00817   2.82386
   A156       2.45183  -0.00005  -0.00947  -0.00012  -0.00959   2.44225
   A157       2.17515  -0.00004  -0.00565   0.00021  -0.00543   2.16972
   A158       1.87790   0.00000  -0.00433   0.00014  -0.00418   1.87372
   A159       2.17302  -0.00007  -0.01047  -0.00046  -0.01092   2.16210
   A160       1.13327  -0.00001   0.01495  -0.00080   0.01415   1.14742
   A161       1.46666   0.00007   0.01553  -0.00085   0.01467   1.48133
   A162       1.85835   0.00006   0.01622  -0.00086   0.01536   1.87370
   A163       2.12638   0.00007   0.01465  -0.00101   0.01365   2.14002
   A164       1.46874   0.00002   0.01249  -0.00070   0.01178   1.48052
   A165       1.63177  -0.00003   0.00047  -0.00066  -0.00018   1.63159
   A166       2.15862   0.00001   0.00009   0.00044   0.00054   2.15917
   A167       1.86108   0.00001  -0.00351   0.00026  -0.00325   1.85783
   A168       1.47146   0.00004   0.00020   0.00038   0.00058   1.47205
   A169       1.19068   0.00007   0.00107   0.00027   0.00135   1.19204
   A170       1.86773  -0.00003  -0.00760  -0.00019  -0.00778   1.85995
   A171       1.90638  -0.00007   0.01021  -0.00102   0.00920   1.91558
   A172       2.20662   0.00002   0.01142  -0.00117   0.01026   2.21688
   A173       2.62630   0.00000   0.01170  -0.00114   0.01057   2.63687
   A174       2.05477  -0.00002   0.01039  -0.00109   0.00931   2.06408
   A175       2.05555  -0.00002  -0.00130  -0.00098  -0.00227   2.05328
   A176       2.26257   0.00002   0.00270   0.00064   0.00335   2.26592
   A177       2.04528   0.00000  -0.00198   0.00032  -0.00165   2.04363
   A178       1.62985   0.00003   0.00127   0.00033   0.00162   1.63147
   A179       1.37989   0.00007   0.00158   0.00020   0.00181   1.38169
   A180       2.13323  -0.00004  -0.00709  -0.00015  -0.00723   2.12600
   A181       1.85717  -0.00007   0.00901  -0.00083   0.00819   1.86537
   A182       2.22793   0.00002   0.01019  -0.00097   0.00923   2.23716
   A183       2.56029   0.00000   0.00925  -0.00071   0.00855   2.56884
   A184       2.20793  -0.00002   0.00940  -0.00100   0.00841   2.21634
   A185       2.28247  -0.00004  -0.00224  -0.00098  -0.00321   2.27926
   A186       0.69449  -0.00003  -0.00069  -0.00006  -0.00074   0.69375
   A187       0.98788  -0.00006  -0.00206  -0.00003  -0.00208   0.98580
   A188       0.69727   0.00000   0.00171  -0.00009   0.00161   0.69887
   A189       2.16260   0.00004  -0.01190   0.00014  -0.01177   2.15083
   A190       1.77766  -0.00005  -0.01323   0.00011  -0.01314   1.76453
   A191       1.45193  -0.00002  -0.01208   0.00028  -0.01181   1.44012
   A192       1.14514  -0.00005  -0.01251   0.00031  -0.01222   1.13291
   A193       1.65343  -0.00003  -0.01264  -0.00019  -0.01284   1.64059
   A194       1.42745   0.00002  -0.00416  -0.00022  -0.00440   1.42305
   A195       0.67264  -0.00007  -0.00428   0.00004  -0.00426   0.66838
   A196       2.27872   0.00004  -0.00763  -0.00006  -0.00769   2.27103
   A197       1.87945  -0.00003  -0.00793   0.00001  -0.00793   1.87152
   A198       1.66993   0.00000  -0.00680   0.00020  -0.00661   1.66332
   A199       1.35015  -0.00003  -0.00757   0.00020  -0.00738   1.34277
   A200       1.62059  -0.00001  -0.00691  -0.00020  -0.00712   1.61348
   A201       1.34614   0.00005  -0.00179  -0.00018  -0.00199   1.34415
   A202       0.71478  -0.00003  -0.00289   0.00012  -0.00277   0.71201
   A203       2.64621   0.00000  -0.00670  -0.00011  -0.00679   2.63942
   A204       2.26994  -0.00005  -0.00814   0.00004  -0.00810   2.26185
   A205       2.08873  -0.00003  -0.00989   0.00025  -0.00964   2.07909
   A206       1.76877  -0.00006  -0.01063   0.00026  -0.01038   1.75839
   A207       1.94792  -0.00004  -0.00476  -0.00015  -0.00491   1.94301
   A208       1.66229   0.00003  -0.00217  -0.00011  -0.00230   1.66000
   A209       0.83620  -0.00009  -0.00526   0.00000  -0.00526   0.83094
   A210       2.62700  -0.00003   0.00076  -0.00046   0.00031   2.62731
   A211       2.36276  -0.00007  -0.00350  -0.00020  -0.00369   2.35907
   A212       2.31437  -0.00006  -0.00826   0.00014  -0.00811   2.30626
   A213       2.00243  -0.00010  -0.00994   0.00015  -0.00980   1.99264
   A214       1.97642  -0.00006  -0.00039  -0.00032  -0.00071   1.97571
   A215       1.70330  -0.00001  -0.00155  -0.00026  -0.00182   1.70148
   A216       1.93206   0.00004  -0.00423  -0.00022  -0.00446   1.92760
   A217       1.56250  -0.00001  -0.00314  -0.00011  -0.00326   1.55924
   A218       1.49252   0.00003   0.00001   0.00008   0.00008   1.49261
   A219       1.20222   0.00000  -0.00074   0.00004  -0.00072   1.20151
   A220       1.23753  -0.00001  -0.00336  -0.00027  -0.00364   1.23389
   A221       0.95322   0.00005  -0.00020  -0.00024  -0.00046   0.95276
   A222       0.72659   0.00007   0.00127  -0.00006   0.00121   0.72779
   A223       1.01933   0.00009   0.00083  -0.00015   0.00068   1.02001
   A224       0.69934   0.00004  -0.00163   0.00001  -0.00162   0.69772
   A225       0.98487  -0.00002  -0.00377  -0.00002  -0.00379   0.98108
   A226       0.65975   0.00000  -0.00079  -0.00016  -0.00095   0.65880
   A227       0.66150  -0.00005  -0.00053   0.00002  -0.00051   0.66098
   A228       0.70428   0.00004  -0.00125  -0.00004  -0.00128   0.70300
   A229       0.84382   0.00000   0.00484   0.00001   0.00485   0.84867
   A230       0.76050   0.00003  -0.00286  -0.00029  -0.00315   0.75735
   A231       0.77478   0.00001   0.00519  -0.00024   0.00495   0.77973
   A232       1.59919  -0.00001   0.00498  -0.00060   0.00437   1.60356
   A233       1.85686  -0.00008  -0.00554   0.00033  -0.00521   1.85165
   A234       2.19053  -0.00009   0.00006  -0.00002   0.00003   2.19056
   A235       2.13016   0.00000  -0.00063  -0.00004  -0.00068   2.12948
   A236       1.96213   0.00008   0.00057   0.00006   0.00064   1.96277
   A237       2.12430  -0.00012  -0.00178   0.00009  -0.00168   2.12262
   A238       2.12557   0.00019  -0.00030   0.00009  -0.00020   2.12537
   A239       2.03204  -0.00007   0.00197  -0.00017   0.00180   2.03384
   A240       1.82298  -0.00008   0.01782  -0.00057   0.01724   1.84022
   A241       2.55053   0.00002  -0.01840   0.00061  -0.01779   2.53274
   A242       1.91547  -0.00004  -0.00214   0.00005  -0.00207   1.91341
   A243       1.91455   0.00018   0.00431   0.00005   0.00438   1.91893
   A244       1.91787  -0.00004  -0.00107   0.00002  -0.00110   1.91677
   A245       1.91087  -0.00014  -0.00216   0.00020  -0.00198   1.90889
   A246       1.90772   0.00006   0.00025  -0.00001   0.00025   1.90797
   A247       1.89721  -0.00003   0.00081  -0.00031   0.00052   1.89773
   A248       1.31826   0.00001  -0.02151  -0.00003  -0.02154   1.29672
   A249       1.90988  -0.00022  -0.00440  -0.00004  -0.00442   1.90546
   A250       1.91073  -0.00009  -0.00131   0.00009  -0.00122   1.90951
   A251       1.92607   0.00007   0.00188  -0.00007   0.00181   1.92788
   A252       1.90802   0.00016   0.00170   0.00006   0.00175   1.90977
   A253       1.89515   0.00008   0.00250   0.00000   0.00250   1.89765
   A254       1.91382   0.00000  -0.00035  -0.00004  -0.00039   1.91344
   A255       1.71867   0.00010   0.00478   0.00059   0.00538   1.72405
   A256       1.77226  -0.00017  -0.00620  -0.00040  -0.00660   1.76566
   A257       2.19189   0.00000  -0.00097   0.00012  -0.00084   2.19105
   A258       2.12806   0.00004   0.00154  -0.00012   0.00142   2.12948
   A259       1.96303  -0.00004  -0.00058   0.00000  -0.00059   1.96244
   A260       2.12535   0.00000  -0.00190   0.00005  -0.00185   2.12350
   A261       2.12291  -0.00001   0.00033  -0.00010   0.00026   2.12317
   A262       2.03454   0.00001   0.00149   0.00006   0.00153   2.03607
   A263       1.37715  -0.00011  -0.02730  -0.00037  -0.02767   1.34948
   A264       1.90325  -0.00003  -0.00249  -0.00009  -0.00256   1.90069
   A265       1.92873  -0.00003   0.00203   0.00000   0.00203   1.93077
   A266       1.90989  -0.00003  -0.00135   0.00009  -0.00127   1.90862
   A267       1.89539   0.00000   0.00145   0.00006   0.00151   1.89690
   A268       1.91561  -0.00001  -0.00085  -0.00001  -0.00086   1.91474
   A269       1.91089   0.00010   0.00119  -0.00006   0.00113   1.91202
   A270       2.68584  -0.00003  -0.00288   0.00004  -0.00282   2.68302
   A271       1.67723   0.00002   0.00339  -0.00015   0.00323   1.68046
   A272       1.92735  -0.00003  -0.00195   0.00021  -0.00174   1.92562
   A273       1.91174   0.00002   0.00031  -0.00002   0.00030   1.91203
   A274       1.91521   0.00000  -0.00112   0.00001  -0.00112   1.91409
   A275       1.89330  -0.00002   0.00133  -0.00016   0.00117   1.89447
   A276       1.91070   0.00001   0.00000   0.00000   0.00000   1.91070
   A277       1.90526   0.00003   0.00150  -0.00004   0.00145   1.90672
   A278       1.84670  -0.00054  -0.02490  -0.00002  -0.02491   1.82179
   A279       1.72115   0.00019   0.01624   0.00117   0.01740   1.73855
   A280       2.18923  -0.00016  -0.00027   0.00000  -0.00029   2.18894
   A281       2.13162   0.00011  -0.00049  -0.00009  -0.00057   2.13105
   A282       1.96225   0.00004   0.00075   0.00009   0.00085   1.96311
   A283       2.12330   0.00006   0.00141  -0.00008   0.00134   2.12465
   A284       2.11345   0.00003   0.00190  -0.00016   0.00174   2.11518
   A285       2.04348  -0.00008  -0.00288   0.00016  -0.00272   2.04077
   A286       2.71319   0.00010   0.00485   0.00096   0.00582   2.71901
   A287       1.64152  -0.00006  -0.00207  -0.00097  -0.00305   1.63848
   A288       1.92419   0.00014   0.00112   0.00023   0.00136   1.92555
   A289       1.91875  -0.00015  -0.00429  -0.00005  -0.00435   1.91440
   A290       1.91226  -0.00005   0.00023  -0.00014   0.00008   1.91234
   A291       1.88882   0.00006   0.00186   0.00016   0.00202   1.89084
   A292       1.91348  -0.00004  -0.00042   0.00000  -0.00042   1.91306
   A293       1.90612   0.00004   0.00152  -0.00020   0.00133   1.90744
   A294       1.36301  -0.00018  -0.00313   0.00047  -0.00266   1.36035
   A295       1.15014   0.00002  -0.00068  -0.00009  -0.00078   1.14936
   A296       1.93529  -0.00003  -0.00143  -0.00012  -0.00155   1.93374
   A297       1.90831  -0.00012  -0.00031   0.00005  -0.00025   1.90806
   A298       1.90080   0.00008   0.00042   0.00020   0.00063   1.90142
   A299       1.90854   0.00007   0.00050  -0.00008   0.00042   1.90896
   A300       1.89814   0.00007   0.00034  -0.00011   0.00023   1.89837
   A301       1.91264  -0.00007   0.00049   0.00006   0.00055   1.91319
   A302       1.63939  -0.00011  -0.01641   0.00041  -0.01601   1.62338
   A303       1.80382   0.00018   0.01583  -0.00017   0.01566   1.81948
   A304       2.18920  -0.00014  -0.00112  -0.00009  -0.00121   2.18799
   A305       2.12868   0.00001   0.00127   0.00004   0.00130   2.12998
   A306       1.96488   0.00013  -0.00013   0.00006  -0.00006   1.96482
   A307       2.12319   0.00004   0.00217   0.00001   0.00218   2.12537
   A308       2.12615  -0.00019  -0.00256   0.00017  -0.00240   2.12376
   A309       2.02927   0.00016   0.00072  -0.00018   0.00055   2.02982
   A310       1.31433   0.00010  -0.01010  -0.00048  -0.01058   1.30375
   A311       3.02863   0.00013   0.01681   0.00021   0.01703   3.04566
   A312       1.91008   0.00012   0.00182   0.00017   0.00199   1.91206
   A313       1.93278  -0.00002  -0.00504   0.00003  -0.00503   1.92775
   A314       1.90131  -0.00006   0.00175  -0.00039   0.00134   1.90265
   A315       1.91438  -0.00020  -0.00270   0.00023  -0.00246   1.91193
   A316       1.91030   0.00012   0.00199   0.00013   0.00213   1.91244
   A317       1.89478   0.00004   0.00226  -0.00017   0.00210   1.89688
   A318       1.76051  -0.00008   0.02523   0.00046   0.02570   1.78620
   A319       1.91648   0.00005  -0.00102   0.00010  -0.00093   1.91554
   A320       1.91487  -0.00024  -0.00044  -0.00007  -0.00050   1.91436
   A321       1.92070   0.00005  -0.00066  -0.00007  -0.00073   1.91997
   A322       1.90961  -0.00006  -0.00217   0.00006  -0.00210   1.90750
   A323       1.90802   0.00008   0.00222   0.00002   0.00224   1.91025
   A324       1.89397   0.00012   0.00211  -0.00004   0.00206   1.89603
   A325       2.92700   0.00001   0.00811   0.00046   0.00859   2.93560
   A326       3.38770   0.00002   0.00330   0.00092   0.00423   3.39193
   A327       3.10083   0.00003   0.00483   0.00095   0.00579   3.10662
   A328       3.23208   0.00002  -0.02186  -0.00006  -0.02192   3.21015
   A329       3.28804  -0.00001  -0.02611  -0.00043  -0.02654   3.26150
   A330       3.27155  -0.00011  -0.00263   0.00039  -0.00224   3.26931
   A331       3.66852   0.00000   0.02745   0.00048   0.02793   3.69645
   A332       3.27941   0.00001  -0.00549   0.00009  -0.00539   3.27402
   A333       2.92606   0.00002   0.01483  -0.00102   0.01382   2.93988
   A334       2.87525   0.00002   0.00912  -0.00106   0.00807   2.88333
   A335       3.23678   0.00001  -0.00834  -0.00028  -0.00862   3.22817
   A336       3.07123   0.00001   0.00702   0.00052   0.00754   3.07877
   A337       3.10538   0.00005  -0.00172  -0.00003  -0.00175   3.10363
   A338       3.05276  -0.00004   0.00099  -0.00024   0.00074   3.05350
    D1        2.75926   0.00000  -0.00046   0.00005  -0.00042   2.75884
    D2       -1.35670  -0.00002  -0.00058  -0.00014  -0.00073  -1.35743
    D3        2.77702   0.00004   0.00849  -0.00028   0.00821   2.78522
    D4       -1.33893   0.00003   0.00837  -0.00047   0.00789  -1.33104
    D5        1.65805   0.00000  -0.00234   0.00027  -0.00207   1.65598
    D6       -2.45790  -0.00002  -0.00246   0.00007  -0.00238  -2.46029
    D7        1.82878   0.00007   0.00374   0.00031   0.00405   1.83283
    D8       -2.28717   0.00005   0.00362   0.00011   0.00374  -2.28343
    D9        0.21698   0.00002   0.02904  -0.00037   0.02871   0.24569
   D10        2.38422   0.00001   0.02892  -0.00056   0.02839   2.41261
   D11       -0.03749   0.00000   0.01760  -0.00041   0.01719  -0.02029
   D12        2.12975  -0.00001   0.01748  -0.00061   0.01688   2.14663
   D13       -0.50239   0.00003   0.01398  -0.00037   0.01360  -0.48880
   D14        1.66484   0.00002   0.01386  -0.00056   0.01328   1.67812
   D15       -0.60315   0.00005   0.01225  -0.00019   0.01206  -0.59109
   D16        1.56408   0.00003   0.01213  -0.00038   0.01174   1.57583
   D17        0.17453  -0.00001   0.00795  -0.00036   0.00759   0.18213
   D18        2.34177  -0.00003   0.00783  -0.00055   0.00728   2.34905
   D19        0.12373  -0.00002   0.00224  -0.00039   0.00185   0.12557
   D20        2.29096  -0.00003   0.00212  -0.00059   0.00153   2.29249
   D21        2.37227   0.00001   0.00516   0.00028   0.00545   2.37772
   D22       -1.74368   0.00000   0.00504   0.00009   0.00514  -1.73854
   D23        2.14213   0.00000  -0.00224   0.00021  -0.00203   2.14010
   D24       -1.97382  -0.00001  -0.00236   0.00002  -0.00235  -1.97617
   D25        1.68606   0.00003   0.00476   0.00022   0.00498   1.69104
   D26       -2.42989   0.00002   0.00464   0.00003   0.00466  -2.42523
   D27        1.37446   0.00008   0.00789   0.00021   0.00810   1.38256
   D28       -2.74149   0.00007   0.00777   0.00002   0.00779  -2.73370
   D29        2.38037  -0.00003  -0.01741   0.00006  -0.01735   2.36302
   D30       -1.73558  -0.00005  -0.01753  -0.00014  -0.01767  -1.75325
   D31       -1.73568   0.00006  -0.00413   0.00057  -0.00357  -1.73925
   D32        0.43155   0.00004  -0.00425   0.00038  -0.00388   0.42767
   D33       -2.08659  -0.00004  -0.00699   0.00056  -0.00644  -2.09302
   D34        0.08065  -0.00005  -0.00712   0.00037  -0.00675   0.07390
   D35       -2.46203  -0.00001  -0.00529   0.00064  -0.00467  -2.46669
   D36       -0.29479  -0.00002  -0.00542   0.00044  -0.00498  -0.29977
   D37       -2.75153  -0.00003  -0.00688   0.00067  -0.00622  -2.75775
   D38       -0.58429  -0.00005  -0.00700   0.00047  -0.00654  -0.59083
   D39       -2.11251  -0.00001  -0.01110   0.00034  -0.01076  -2.12327
   D40        0.05472  -0.00003  -0.01122   0.00014  -0.01107   0.04365
   D41       -2.36515   0.00005  -0.00494   0.00018  -0.00475  -2.36990
   D42       -0.19791   0.00003  -0.00506  -0.00002  -0.00507  -0.20298
   D43        1.27424  -0.00003  -0.01188   0.00030  -0.01159   1.26265
   D44       -1.95013  -0.00001  -0.01753   0.00083  -0.01670  -1.96683
   D45        2.46069   0.00001  -0.01342   0.00047  -0.01295   2.44773
   D46       -0.76368   0.00003  -0.01906   0.00100  -0.01807  -0.78175
   D47        2.93930   0.00000  -0.01092   0.00053  -0.01039   2.92891
   D48       -0.28506   0.00001  -0.01656   0.00105  -0.01551  -0.30057
   D49        2.89986  -0.00004  -0.00939   0.00087  -0.00856   2.89131
   D50       -0.32450  -0.00002  -0.01503   0.00140  -0.01367  -0.33817
   D51        1.97146  -0.00004   0.01633  -0.00005   0.01639   1.98785
   D52       -1.25291  -0.00002   0.01069   0.00047   0.01128  -1.24163
   D53        1.04221   0.00003   0.01288  -0.00062   0.01218   1.05439
   D54       -2.18216   0.00005   0.00724  -0.00010   0.00707  -2.17509
   D55        0.96987   0.00003   0.00302  -0.00013   0.00286   0.97273
   D56       -2.25450   0.00005  -0.00262   0.00040  -0.00226  -2.25675
   D57        2.01075  -0.00004  -0.00569   0.00008  -0.00559   2.00516
   D58       -1.21361  -0.00002  -0.01133   0.00060  -0.01071  -1.22432
   D59        1.82679  -0.00004  -0.01074   0.00003  -0.01071   1.81607
   D60       -1.39758  -0.00002  -0.01639   0.00055  -0.01583  -1.41341
   D61       -2.29596  -0.00001  -0.00723   0.00060  -0.00663  -2.30258
   D62        0.76286   0.00001  -0.01287   0.00112  -0.01174   0.75112
   D63       -2.40800  -0.00003  -0.01652   0.00042  -0.01610  -2.42410
   D64        0.65082  -0.00001  -0.02216   0.00094  -0.02122   0.62960
   D65       -2.80987   0.00000  -0.01610   0.00029  -0.01580  -2.82567
   D66        0.24895   0.00001  -0.02174   0.00082  -0.02092   0.22803
   D67       -2.97496   0.00004  -0.01745   0.00031  -0.01714  -2.99210
   D68        0.08386   0.00005  -0.02309   0.00083  -0.02226   0.06160
   D69       -2.11415  -0.00005  -0.02373   0.00032  -0.02341  -2.13755
   D70        0.94467  -0.00003  -0.02937   0.00084  -0.02852   0.91615
   D71       -0.13494   0.00001  -0.02503   0.00034  -0.02469  -0.15963
   D72        2.92388   0.00003  -0.03067   0.00086  -0.02980   2.89408
   D73       -0.53437  -0.00006  -0.02544   0.00037  -0.02508  -0.55944
   D74        2.52445  -0.00005  -0.03108   0.00089  -0.03019   2.49426
   D75       -0.69940  -0.00003  -0.02231   0.00056  -0.02176  -0.72116
   D76        2.35942  -0.00001  -0.02795   0.00108  -0.02688   2.33254
   D77       -1.03653  -0.00007  -0.02240   0.00064  -0.02178  -1.05831
   D78        2.02229  -0.00005  -0.02805   0.00116  -0.02690   1.99539
   D79       -0.82210  -0.00005  -0.02689   0.00012  -0.02678  -0.84888
   D80        2.23672  -0.00003  -0.03253   0.00064  -0.03189   2.20483
   D81       -1.12873   0.00002  -0.02424   0.00007  -0.02417  -1.15290
   D82        1.93010   0.00004  -0.02988   0.00060  -0.02929   1.90081
   D83       -1.51911  -0.00002  -0.00917  -0.00020  -0.00937  -1.52848
   D84       -2.60112   0.00003  -0.00829  -0.00022  -0.00851  -2.60963
   D85       -2.94158   0.00006  -0.00044  -0.00056  -0.00101  -2.94259
   D86        0.73020   0.00001   0.00092  -0.00019   0.00075   0.73095
   D87        0.29610   0.00000   0.00325  -0.00028   0.00299   0.29909
   D88       -0.11643   0.00006   0.01306  -0.00031   0.01278  -0.10365
   D89       -0.44218   0.00008   0.01044  -0.00030   0.01014  -0.43204
   D90        0.19349  -0.00001  -0.00496  -0.00036  -0.00531   0.18818
   D91       -0.03623  -0.00001  -0.00805  -0.00036  -0.00841  -0.04464
   D92        2.38982   0.00000   0.00013  -0.00025  -0.00012   2.38970
   D93        2.05412   0.00000  -0.00642  -0.00023  -0.00665   2.04746
   D94        1.64971   0.00002  -0.00190  -0.00024  -0.00214   1.64756
   D95        1.36932   0.00006  -0.00323  -0.00028  -0.00351   1.36581
   D96        2.07873  -0.00004  -0.01632  -0.00035  -0.01668   2.06204
   D97       -1.85503   0.00006  -0.01596   0.00001  -0.01594  -1.87097
   D98       -2.39761  -0.00008  -0.02366  -0.00026  -0.02391  -2.42152
   D99       -2.61998  -0.00001  -0.01748  -0.00014  -0.01763  -2.63761
   D100      -2.94943  -0.00005  -0.01816  -0.00022  -0.01840  -2.96783
   D101      -2.87086  -0.00009  -0.03472  -0.00103  -0.03576  -2.90663
   D102       2.87180   0.00002  -0.03351  -0.00104  -0.03457   2.83723
   D103      -2.80409  -0.00001  -0.02966  -0.00002  -0.02971  -2.83381
   D104       1.29427  -0.00003  -0.03097   0.00003  -0.03097   1.26330
   D105       2.87606   0.00002  -0.02278  -0.00036  -0.02319   2.85287
   D106       0.69124   0.00000  -0.02409  -0.00031  -0.02445   0.66679
   D107       2.30921   0.00003  -0.01017  -0.00084  -0.01097   2.29825
   D108       0.12439   0.00000  -0.01148  -0.00079  -0.01222   0.11217
   D109       1.67362   0.00000   0.00768  -0.00087   0.00690   1.68051
   D110      -0.51121  -0.00002   0.00638  -0.00082   0.00564  -0.50557
   D111       2.62535  -0.00001  -0.01082  -0.00051  -0.01133   2.61402
   D112       0.44053  -0.00004  -0.01213  -0.00046  -0.01259   0.42794
   D113       2.27959   0.00000  -0.00867  -0.00059  -0.00925   2.27034
   D114       0.09476  -0.00002  -0.00997  -0.00054  -0.01050   0.08426
   D115      -1.61343   0.00001   0.00414   0.00003   0.00415  -1.60927
   D116       2.48493  -0.00001   0.00283   0.00008   0.00290   2.48783
   D117      -1.76808   0.00000  -0.00302  -0.00009  -0.00312  -1.77120
   D118       2.33028  -0.00002  -0.00432  -0.00004  -0.00437   2.32591
   D119      -2.73846   0.00005   0.00311  -0.00004   0.00308  -2.73538
   D120       1.35990   0.00002   0.00180   0.00001   0.00182   1.36173
   D121      -2.69393   0.00004   0.00203   0.00002   0.00206  -2.69187
   D122       1.40442   0.00002   0.00072   0.00007   0.00081   1.40523
   D123       1.35099   0.00000  -0.00552  -0.00073  -0.00625   1.34474
   D124      -0.83384  -0.00003  -0.00682  -0.00068  -0.00750  -0.84134
   D125       1.32906   0.00002  -0.00357  -0.00034  -0.00389   1.32516
   D126      -0.85577   0.00000  -0.00487  -0.00029  -0.00515  -0.86092
   D127       1.69225  -0.00001  -0.00429  -0.00009  -0.00436   1.68788
   D128      -0.49258  -0.00003  -0.00560  -0.00004  -0.00562  -0.49820
   D129       1.81509  -0.00006  -0.00398   0.00001  -0.00397   1.81112
   D130      -0.36974  -0.00008  -0.00529   0.00006  -0.00522  -0.37496
   D131       0.93513   0.00002  -0.00359  -0.00022  -0.00379   0.93134
   D132      -1.24969   0.00000  -0.00489  -0.00017  -0.00505  -1.25474
   D133      -0.94143  -0.00002   0.00566  -0.00025   0.00542  -0.93601
   D134      -3.12625  -0.00005   0.00435  -0.00020   0.00416  -3.12209
   D135      -0.52663   0.00006   0.00766  -0.00045   0.00721  -0.51942
   D136      -2.71146   0.00003   0.00636  -0.00040   0.00595  -2.70550
   D137      -0.26795   0.00003   0.01282  -0.00083   0.01194  -0.25601
   D138      -2.45278   0.00000   0.01151  -0.00078   0.01068  -2.44210
   D139       0.12688   0.00007   0.01408  -0.00113   0.01292   0.13980
   D140      -2.05795   0.00004   0.01277  -0.00108   0.01166  -2.04628
   D141      -0.29635   0.00003   0.00463  -0.00027   0.00436  -0.29199
   D142      -2.48117   0.00001   0.00333  -0.00022   0.00310  -2.47807
   D143      -0.03189  -0.00003  -0.00263  -0.00022  -0.00285  -0.03474
   D144      -2.21671  -0.00005  -0.00394  -0.00017  -0.00410  -2.22082
   D145      -2.39967  -0.00002  -0.01281   0.00061  -0.01218  -2.41185
   D146      -2.61782  -0.00007  -0.02157   0.00074  -0.02083  -2.63864
   D147      -2.24134  -0.00007  -0.02913   0.00126  -0.02780  -2.26914
   D148       3.09433  -0.00007  -0.01937   0.00041  -0.01897   3.07535
   D149       2.70650   0.00002  -0.01858   0.00018  -0.01843   2.68807
   D150       1.50411  -0.00001   0.01102   0.00042   0.01141   1.51553
   D151       2.60617   0.00002   0.01044   0.00046   0.01091   2.61709
   D152       2.98699   0.00002   0.00906   0.00047   0.00954   2.99653
   D153       1.20587  -0.00001  -0.00229  -0.00077  -0.00305   1.20282
   D154       1.26836   0.00001   0.00363  -0.00002   0.00362   1.27198
   D155       1.66795  -0.00003   0.00206   0.00035   0.00241   1.67036
   D156       1.73480  -0.00006   0.00391   0.00048   0.00438   1.73919
   D157       0.91532   0.00002   0.00803   0.00030   0.00833   0.92365
   D158      -0.94998  -0.00003   0.00718   0.00065   0.00783  -0.94215
   D159      -0.62625   0.00001   0.00709   0.00072   0.00779  -0.61846
   D160      -0.68135  -0.00001   0.00929   0.00072   0.01000  -0.67135
   D161      -0.39553   0.00004   0.01485   0.00068   0.01548  -0.38005
   D162      -0.23746   0.00001   0.00397   0.00084   0.00480  -0.23267
   D163       0.03692  -0.00005   0.00539   0.00081   0.00621   0.04313
   D164      -1.21214  -0.00002  -0.02645   0.00103  -0.02542  -1.23756
   D165       1.72795   0.00000  -0.02042  -0.00007  -0.02049   1.70746
   D166      -1.58235  -0.00002  -0.02656   0.00103  -0.02553  -1.60788
   D167       1.35774   0.00000  -0.02053  -0.00007  -0.02060   1.33714
   D168      -1.65530   0.00000  -0.02876   0.00113  -0.02764  -1.68294
   D169       1.28479   0.00001  -0.02273   0.00003  -0.02271   1.26208
   D170      -1.93009   0.00004  -0.01880   0.00070  -0.01812  -1.94822
   D171       1.01000   0.00005  -0.01277  -0.00040  -0.01319   0.99681
   D172      -1.93769  -0.00004  -0.02406   0.00093  -0.02312  -1.96082
   D173       1.00240  -0.00002  -0.01803  -0.00017  -0.01819   0.98421
   D174      -2.24444   0.00003  -0.02220   0.00095  -0.02125  -2.26568
   D175       0.69566   0.00004  -0.01617  -0.00015  -0.01632   0.67934
   D176       1.97487   0.00002  -0.00334   0.00100  -0.00234   1.97253
   D177      -1.36822   0.00003   0.00269  -0.00010   0.00259  -1.36563
   D178       0.82940   0.00003  -0.00282   0.00119  -0.00162   0.82778
   D179      -2.51369   0.00004   0.00321   0.00009   0.00331  -2.51039
   D180       0.36949   0.00003  -0.00706   0.00117  -0.00589   0.36360
   D181      -2.97360   0.00005  -0.00103   0.00007  -0.00096  -2.97457
   D182      -3.07069  -0.00005  -0.01622   0.00037  -0.01586  -3.08654
   D183      -0.13059  -0.00003  -0.01019  -0.00073  -0.01093  -0.14152
   D184       2.94926  -0.00001  -0.01377   0.00081  -0.01297   2.93629
   D185      -0.39383   0.00001  -0.00774  -0.00029  -0.00804  -0.40187
   D186       3.10621  -0.00002  -0.01190   0.00128  -0.01063   3.09558
   D187      -0.23688   0.00000  -0.00587   0.00018  -0.00570  -0.24258
   D188       3.00525  -0.00002  -0.01038   0.00139  -0.00900   2.99625
   D189      -0.33784  -0.00001  -0.00435   0.00029  -0.00407  -0.34191
   D190       2.50422  -0.00002  -0.01320   0.00075  -0.01245   2.49178
   D191      -0.83887  -0.00001  -0.00717  -0.00035  -0.00752  -0.84639
   D192       0.41192  -0.00001  -0.00937   0.00169  -0.00766   0.40426
   D193      -2.93117   0.00001  -0.00334   0.00059  -0.00273  -2.93391
   D194       0.71669   0.00001  -0.00810   0.00161  -0.00648   0.71021
   D195      -2.62640   0.00003  -0.00207   0.00051  -0.00155  -2.62796
   D196       0.54973  -0.00003  -0.00991   0.00215  -0.00773   0.54201
   D197      -2.79336  -0.00002  -0.00388   0.00105  -0.00280  -2.79616
   D198       1.16103   0.00001  -0.00764   0.00135  -0.00630   1.15474
   D199      -2.18206   0.00002  -0.00161   0.00025  -0.00137  -2.18343
   D200       1.48411  -0.00006  -0.00965   0.00114  -0.00851   1.47560
   D201      -1.85899  -0.00005  -0.00362   0.00004  -0.00357  -1.86256
   D202       1.58512   0.00000   0.01083   0.00043   0.01126   1.59638
   D203      -0.63167   0.00001   0.01398  -0.00001   0.01397  -0.61770
   D204       1.64575   0.00004   0.01355   0.00048   0.01404   1.65979
   D205      -0.57104   0.00005   0.01671   0.00004   0.01675  -0.55429
   D206       1.31436   0.00002   0.01428   0.00061   0.01489   1.32925
   D207      -0.90243   0.00003   0.01743   0.00017   0.01760  -0.88483
   D208       1.14581  -0.00001   0.00760   0.00099   0.00858   1.15439
   D209      -1.07097   0.00000   0.01075   0.00054   0.01129  -1.05968
   D210       2.07341   0.00002   0.01464   0.00043   0.01507   2.08848
   D211      -0.14338   0.00003   0.01779  -0.00001   0.01779  -0.12559
   D212       2.19117  -0.00009   0.01150   0.00034   0.01184   2.20301
   D213      -0.02562  -0.00009   0.01465  -0.00010   0.01455  -0.01107
   D214      -2.19042   0.00001  -0.00471   0.00103  -0.00367  -2.19409
   D215       1.87598   0.00001  -0.00156   0.00059  -0.00095   1.87502
   D216      -2.37085   0.00002  -0.00029   0.00141   0.00112  -2.36973
   D217       1.69555   0.00003   0.00286   0.00096   0.00383   1.69939
   D218      -1.98993   0.00000   0.00365   0.00178   0.00542  -1.98451
   D219       2.07646   0.00001   0.00681   0.00134   0.00813   2.08460
   D220      -2.12780   0.00000   0.00048   0.00275   0.00320  -2.12460
   D221       1.93860   0.00001   0.00363   0.00231   0.00591   1.94451
   D222      -2.86848   0.00004   0.00058   0.00127   0.00184  -2.86664
   D223       1.19792   0.00004   0.00373   0.00083   0.00456   1.20248
   D224       3.07450   0.00005   0.00209   0.00125   0.00333   3.07783
   D225       0.85771   0.00005   0.00524   0.00081   0.00604   0.86375
   D226      -2.70278  -0.00001  -0.00606  -0.00013  -0.00619  -2.70897
   D227       1.36362   0.00000  -0.00290  -0.00057  -0.00348   1.36014
   D228      -2.63755   0.00003  -0.00555   0.00016  -0.00539  -2.64294
   D229       1.42885   0.00003  -0.00240  -0.00028  -0.00267   1.42617
   D230      -1.54833  -0.00004  -0.01190   0.00020  -0.01171  -1.56004
   D231       2.51807  -0.00004  -0.00875  -0.00024  -0.00899   2.50907
   D232      -0.11722  -0.00003  -0.00258  -0.00044  -0.00301  -0.12024
   D233      -2.33401  -0.00003   0.00057  -0.00088  -0.00030  -2.33431
   D234      -0.24445   0.00000   0.00087  -0.00017   0.00070  -0.24375
   D235      -2.46124   0.00001   0.00402  -0.00061   0.00342  -2.45782
   D236       0.04241   0.00003   0.00229   0.00000   0.00229   0.04470
   D237      -2.17438   0.00003   0.00544  -0.00044   0.00500  -2.16937
   D238      -0.05240   0.00001   0.00081  -0.00006   0.00075  -0.05164
   D239      -2.26918   0.00002   0.00396  -0.00050   0.00346  -2.26572
   D240      -0.63370  -0.00001   0.00322  -0.00010   0.00312  -0.63057
   D241      -2.85049  -0.00001   0.00637  -0.00054   0.00584  -2.84465
   D242      -0.80885   0.00003  -0.00380   0.00001  -0.00379  -0.81264
   D243      -3.02564   0.00003  -0.00064  -0.00043  -0.00108  -3.02672
   D244      -2.93029  -0.00001  -0.01028   0.00044  -0.00984  -2.94013
   D245      -0.05017  -0.00001   0.01000   0.00012   0.01012  -0.04005
   D246      -3.13056   0.00004  -0.00741   0.00045  -0.00696  -3.13752
   D247      -0.25043   0.00004   0.01287   0.00013   0.01300  -0.23744
   D248       2.76167   0.00002  -0.00731   0.00052  -0.00678   2.75489
   D249      -0.64139   0.00002   0.01297   0.00020   0.01318  -0.62821
   D250       2.52617   0.00000  -0.01127   0.00063  -0.01065   2.51553
   D251      -0.87689   0.00000   0.00902   0.00031   0.00931  -0.86758
   D252      -2.91060   0.00001  -0.00521   0.00041  -0.00480  -2.91540
   D253      -0.03048   0.00002   0.01507   0.00009   0.01515  -0.01532
   D254      -3.07931  -0.00004  -0.01010   0.00033  -0.00978  -3.08908
   D255      -0.19918  -0.00004   0.01018   0.00001   0.01018  -0.18900
   D256      -0.60669   0.00000  -0.01686   0.00100  -0.01585  -0.62254
   D257       2.27343   0.00000   0.00342   0.00068   0.00411   2.27754
   D258      -0.86736   0.00001  -0.01465   0.00111  -0.01355  -0.88091
   D259       2.01276   0.00001   0.00563   0.00078   0.00641   2.01918
   D260      -0.72112   0.00001  -0.01080   0.00109  -0.00971  -0.73083
   D261       2.15901   0.00002   0.00948   0.00077   0.01025   2.16926
   D262      -0.93490   0.00003  -0.01396   0.00100  -0.01295  -0.94786
   D263       1.94522   0.00003   0.00633   0.00068   0.00700   1.95223
   D264      -1.27600   0.00002  -0.01481   0.00112  -0.01370  -1.28970
   D265       1.60412   0.00002   0.00548   0.00079   0.00626   1.61038
   D266      -1.52078   0.00003  -0.01355   0.00111  -0.01245  -1.53324
   D267       1.35934   0.00003   0.00673   0.00079   0.00750   1.36685
   D268       2.00397  -0.00002  -0.02034  -0.00010  -0.02045   1.98352
   D269      -1.39909  -0.00001  -0.00006  -0.00042  -0.00049  -1.39958
   D270       0.89334  -0.00006  -0.02597   0.00011  -0.02585   0.86749
   D271      -2.50972  -0.00006  -0.00569  -0.00021  -0.00589  -2.51562
   D272       0.83201  -0.00007   0.00262  -0.00057   0.00206   0.83406
   D273      -2.57105  -0.00006   0.02290  -0.00090   0.02201  -2.54904
   D274       1.06448   0.00005  -0.00334  -0.00018  -0.00350   1.06097
   D275      -2.33858   0.00005   0.01694  -0.00050   0.01645  -2.32213
   D276       1.54698   0.00003  -0.00717  -0.00003  -0.00719   1.53978
   D277      -1.85608   0.00004   0.01311  -0.00035   0.01277  -1.84332
   D278       1.55042   0.00002  -0.01034  -0.00013  -0.01047   1.53995
   D279      -1.85264   0.00002   0.00994  -0.00045   0.00949  -1.84315
   D280       0.77670   0.00001  -0.00398   0.00008  -0.00390   0.77280
   D281      -2.62636   0.00001   0.01630  -0.00025   0.01606  -2.61030
   D282       0.77405   0.00000  -0.01596   0.00015  -0.01581   0.75825
   D283      -2.62901   0.00000   0.00432  -0.00017   0.00415  -2.62486
   D284       1.51316   0.00004   0.03354   0.00022   0.03376   1.54692
   D285      -2.71036   0.00006   0.03641   0.00004   0.03645  -2.67392
   D286       1.58303   0.00006   0.02658   0.00018   0.02676   1.60979
   D287      -2.64050   0.00008   0.02944   0.00000   0.02945  -2.61105
   D288       1.27090   0.00002   0.02339   0.00023   0.02361   1.29451
   D289      -2.95263   0.00004   0.02625   0.00005   0.02630  -2.92633
   D290       1.18922  -0.00002   0.01357   0.00048   0.01404   1.20326
   D291      -3.03430   0.00000   0.01643   0.00030   0.01673  -3.01758
   D292       1.98472   0.00003   0.02323   0.00011   0.02334   2.00806
   D293      -2.23880   0.00005   0.02609  -0.00007   0.02602  -2.21278
   D294       1.97854  -0.00006   0.01545   0.00002   0.01546   1.99400
   D295      -2.24498  -0.00004   0.01831  -0.00016   0.01815  -2.22684
   D296      -2.27100   0.00001   0.00258   0.00069   0.00328  -2.26772
   D297      -0.21134   0.00003   0.00545   0.00051   0.00597  -0.20537
   D298      -2.26161   0.00001   0.00505   0.00080   0.00585  -2.25576
   D299      -0.20195   0.00004   0.00791   0.00062   0.00853  -0.19342
   D300      -1.87812  -0.00002   0.00567   0.00070   0.00637  -1.87175
   D301       0.18154   0.00000   0.00853   0.00053   0.00905   0.19059
   D302      -1.81985  -0.00005  -0.00067   0.00058  -0.00009  -1.81994
   D303       0.23981  -0.00003   0.00219   0.00040   0.00259   0.24241
   D304      -2.61892   0.00003   0.00768   0.00086   0.00853  -2.61039
   D305      -0.55926   0.00005   0.01054   0.00068   0.01122  -0.54804
   D306      -2.75140   0.00005   0.01062   0.00101   0.01162  -2.73977
   D307      -0.69173   0.00007   0.01348   0.00083   0.01431  -0.67743
   D308       1.52558  -0.00003  -0.00106  -0.00013  -0.00120   1.52438
   D309      -2.69794  -0.00001   0.00180  -0.00031   0.00148  -2.69646
   D310       2.62957  -0.00005  -0.00124  -0.00026  -0.00150   2.62808
   D311      -1.59395  -0.00003   0.00162  -0.00044   0.00119  -1.59276
   D312       3.01945  -0.00005  -0.00016  -0.00010  -0.00026   3.01919
   D313      -1.20407  -0.00003   0.00270  -0.00028   0.00243  -1.20165
   D314      -0.54317  -0.00006   0.01310  -0.00061   0.01249  -0.53068
   D315       1.51649  -0.00003   0.01596  -0.00079   0.01517   1.53166
   D316      -0.38129   0.00004   0.01699  -0.00048   0.01650  -0.36479
   D317       1.67837   0.00006   0.01985  -0.00066   0.01919   1.69756
   D318       0.04652   0.00003   0.01768  -0.00047   0.01721   0.06373
   D319       2.10618   0.00005   0.02054  -0.00065   0.01989   2.12608
   D320       0.18507   0.00004   0.01779  -0.00058   0.01722   0.20229
   D321       2.24474   0.00006   0.02065  -0.00076   0.01990   2.26464
   D322      -0.62677   0.00001   0.02011  -0.00031   0.01980  -0.60697
   D323       1.43290   0.00003   0.02297  -0.00049   0.02248   1.45538
   D324      -0.65789   0.00003   0.01098  -0.00024   0.01074  -0.64715
   D325       1.40177   0.00005   0.01384  -0.00042   0.01343   1.41520
   D326       0.09323   0.00002   0.01004  -0.00018   0.00985   0.10308
   D327       2.26045   0.00004   0.00962  -0.00004   0.00957   2.27002
   D328       0.39321  -0.00004   0.01134  -0.00021   0.01112   0.40433
   D329       2.56043  -0.00001   0.01093  -0.00007   0.01084   2.57127
   D330       0.76952  -0.00001   0.01088  -0.00019   0.01067   0.78019
   D331       2.93673   0.00002   0.01046  -0.00006   0.01039   2.94712
   D332       1.05150  -0.00001   0.01070  -0.00014   0.01058   1.06207
   D333      -3.06447   0.00002   0.01028  -0.00001   0.01030  -3.05418
   D334       0.31453  -0.00002   0.01414  -0.00030   0.01382   0.32835
   D335       2.48174   0.00000   0.01373  -0.00017   0.01355   2.49529
   D336       0.69470  -0.00001   0.02638  -0.00003   0.02634   0.72104
   D337       2.86192   0.00001   0.02596   0.00010   0.02606   2.88798
   D338      -2.32932   0.00001   0.00658  -0.00046   0.00612  -2.32320
   D339      -0.16211   0.00004   0.00616  -0.00032   0.00584  -0.15627
   D340      -1.95452   0.00001   0.00729  -0.00064   0.00666  -1.94787
   D341       0.21269   0.00003   0.00687  -0.00050   0.00638   0.21907
   D342      -1.88502  -0.00001   0.00562  -0.00057   0.00506  -1.87996
   D343       0.28219   0.00001   0.00520  -0.00043   0.00478   0.28697
   D344      -1.57132  -0.00003   0.00680  -0.00041   0.00638  -1.56494
   D345       0.59590  -0.00001   0.00638  -0.00028   0.00610   0.60200
   D346      -1.60405   0.00000   0.00893  -0.00082   0.00811  -1.59594
   D347       0.56317   0.00002   0.00851  -0.00068   0.00783   0.57099
   D348      -1.30232  -0.00002   0.00917  -0.00089   0.00828  -1.29404
   D349       0.86489   0.00000   0.00875  -0.00075   0.00800   0.87289
   D350       1.87951   0.00004   0.01293   0.00043   0.01336   1.89286
   D351      -2.23647   0.00007   0.01251   0.00057   0.01308  -2.22339
   D352       2.33640   0.00004   0.00989   0.00035   0.01024   2.34664
   D353      -1.77957   0.00006   0.00947   0.00049   0.00996  -1.76961
   D354       2.66988   0.00006  -0.00562   0.00065  -0.00498   2.66490
   D355      -1.44609   0.00009  -0.00604   0.00079  -0.00526  -1.45135
   D356      -2.99231  -0.00003  -0.01108   0.00042  -0.01061  -3.00293
   D357      -0.82510   0.00000  -0.01150   0.00056  -0.01089  -0.83599
   D358       2.62692   0.00006   0.01451   0.00017   0.01468   2.64160
   D359      -1.48905   0.00008   0.01409   0.00031   0.01440  -1.47465
   D360       1.63963  -0.00003   0.00627  -0.00026   0.00601   1.64564
   D361      -2.47634   0.00000   0.00585  -0.00012   0.00573  -2.47061
   D362       1.81018   0.00000   0.00976   0.00001   0.00977   1.81995
   D363      -2.30579   0.00003   0.00934   0.00015   0.00949  -2.29630
   D364       2.74981  -0.00004   0.00427  -0.00028   0.00398   2.75379
   D365      -1.36616  -0.00002   0.00385  -0.00015   0.00370  -1.36246
   D366       2.73916  -0.00001   0.01686  -0.00022   0.01664   2.75581
   D367      -1.37681   0.00001   0.01644  -0.00008   0.01636  -1.36045
   D368       0.07095   0.00000   0.00571  -0.00001   0.00568   0.07663
   D369      -2.39120   0.00001   0.00444   0.00115   0.00557  -2.38563
   D370       0.47159  -0.00002   0.00485   0.00002   0.00485   0.47645
   D371      -1.99056  -0.00001   0.00358   0.00118   0.00474  -1.98582
   D372       0.69383  -0.00001   0.00150   0.00005   0.00154   0.69536
   D373      -1.76832   0.00000   0.00023   0.00121   0.00142  -1.76690
   D374       0.96989  -0.00003  -0.00449   0.00013  -0.00434   0.96555
   D375      -1.49226  -0.00002  -0.00576   0.00128  -0.00445  -1.49671
   D376       0.70655   0.00002   0.00766  -0.00001   0.00764   0.71420
   D377      -1.75559   0.00003   0.00639   0.00115   0.00753  -1.74806
   D378       1.05101  -0.00004   0.00695   0.00003   0.00698   1.05799
   D379      -1.41114  -0.00003   0.00567   0.00119   0.00686  -1.40427
   D380      -2.66849  -0.00002  -0.01790   0.00032  -0.01752  -2.68601
   D381       1.15255  -0.00001  -0.01917   0.00147  -0.01763   1.13492
   D382      -2.15564   0.00000  -0.01382  -0.00027  -0.01405  -2.16969
   D383       1.66540   0.00001  -0.01509   0.00088  -0.01416   1.65123
   D384      -1.91559  -0.00003  -0.01207  -0.00046  -0.01252  -1.92811
   D385       1.90545  -0.00002  -0.01335   0.00070  -0.01263   1.89282
   D386      -1.59157  -0.00004  -0.00831  -0.00057  -0.00888  -1.60045
   D387       2.22947  -0.00004  -0.00958   0.00059  -0.00899   2.22048
   D388      -1.72259   0.00001  -0.00624  -0.00122  -0.00749  -1.73008
   D389       2.09845   0.00002  -0.00752  -0.00006  -0.00760   2.09085
   D390      -1.17228  -0.00002   0.00165  -0.00193  -0.00033  -1.17261
   D391       2.64875  -0.00001   0.00038  -0.00077  -0.00044   2.64831
   D392       1.81543   0.00002  -0.00054   0.00008  -0.00046   1.81497
   D393      -0.64671   0.00002  -0.00181   0.00124  -0.00057  -0.64729
   D394       2.12756  -0.00002  -0.00229  -0.00001  -0.00231   2.12525
   D395      -0.33459  -0.00001  -0.00357   0.00114  -0.00242  -0.33701
   D396       2.10382  -0.00002  -0.00830   0.00001  -0.00830   2.09552
   D397      -0.35833  -0.00001  -0.00957   0.00117  -0.00842  -0.36674
   D398       2.34504  -0.00004  -0.01480   0.00034  -0.01449   2.33056
   D399      -0.11710  -0.00004  -0.01607   0.00149  -0.01460  -0.13170
   D400       2.51511   0.00001   0.00084  -0.00002   0.00083   2.51594
   D401       0.05296   0.00002  -0.00043   0.00114   0.00072   0.05368
   D402      -1.52607  -0.00004  -0.00802  -0.00047  -0.00850  -1.53456
   D403       2.29497  -0.00003  -0.00930   0.00069  -0.00861   2.28636
   D404      -2.62465  -0.00003  -0.00516  -0.00056  -0.00572  -2.63037
   D405       1.19639  -0.00002  -0.00643   0.00060  -0.00583   1.19056
   D406      -2.98339   0.00006   0.00425  -0.00047   0.00378  -2.97961
   D407       0.83765   0.00006   0.00297   0.00069   0.00366   0.84131
   D408       1.92826   0.00002  -0.00376   0.00043  -0.00335   1.92491
   D409       2.42579   0.00001   0.00017   0.00069   0.00084   2.42663
   D410       2.66594   0.00001  -0.00536   0.00065  -0.00471   2.66123
   D411       2.90445  -0.00002  -0.01341   0.00084  -0.01255   2.89190
   D412       2.85033   0.00009   0.01273   0.00121   0.01394   2.86427
   D413      -2.91365  -0.00006  -0.00104   0.00110   0.00006  -2.91359
   D414      -0.69045   0.00000  -0.02237   0.00061  -0.02175  -0.71221
   D415      -0.31445   0.00001  -0.02240   0.00053  -0.02185  -0.33630
   D416       0.01328  -0.00002  -0.02398   0.00053  -0.02346  -0.01018
   D417       0.31933  -0.00005  -0.02446   0.00042  -0.02404   0.29529
   D418      -0.20401   0.00000  -0.02061   0.00040  -0.02019  -0.22420
   D419       0.08947  -0.00002  -0.01866   0.00012  -0.01853   0.07094
   D420      -2.51197   0.00002  -0.01685   0.00063  -0.01623  -2.52819
   D421      -2.13233   0.00000  -0.01505   0.00049  -0.01456  -2.14690
   D422      -1.86262  -0.00001  -0.02273   0.00051  -0.02222  -1.88484
   D423      -1.54228  -0.00005  -0.02498   0.00057  -0.02441  -1.56668
   D424      -1.94343   0.00004  -0.00738   0.00047  -0.00691  -1.95034
   D425       1.31981  -0.00007  -0.01722   0.00004  -0.01717   1.30263
   D426       2.48553  -0.00001  -0.01277  -0.00005  -0.01281   2.47272
   D427       2.95938   0.00003  -0.01012   0.00010  -0.01001   2.94937
   D428      -3.05604   0.00003  -0.00398   0.00039  -0.00360  -3.05964
   D429       0.02949  -0.00001  -0.00602   0.00052  -0.00550   0.02399
   D430       0.05677  -0.00001  -0.00403   0.00030  -0.00374   0.05303
   D431      -3.14088  -0.00005  -0.00607   0.00043  -0.00564   3.13666
   D432      -0.08908  -0.00001  -0.02380   0.00060  -0.02320  -0.11229
   D433       2.01103  -0.00009  -0.02511   0.00090  -0.02420   1.98682
   D434      -2.18738  -0.00004  -0.02210   0.00056  -0.02153  -2.20891
   D435       3.10572   0.00002  -0.02180   0.00047  -0.02134   3.08438
   D436      -1.07736  -0.00005  -0.02310   0.00077  -0.02234  -1.09970
   D437       1.00742   0.00000  -0.02010   0.00043  -0.01966   0.98776
   D438      -2.34279   0.00003  -0.02405   0.00005  -0.02400  -2.36679
   D439      -0.25199   0.00003  -0.02544   0.00015  -0.02529  -0.27728
   D440       1.85600   0.00002  -0.02553   0.00012  -0.02542   1.83059
   D441       0.74555  -0.00002  -0.02611   0.00018  -0.02592   0.71963
   D442       2.83635  -0.00001  -0.02750   0.00028  -0.02721   2.80914
   D443      -1.33884  -0.00002  -0.02759   0.00025  -0.02733  -1.36617
   D444      -0.00747   0.00015   0.01023  -0.00014   0.01009   0.00262
   D445       3.10300   0.00012   0.00751   0.00041   0.00791   3.11092
   D446      -3.12736   0.00017   0.01083  -0.00013   0.01070  -3.11666
   D447      -0.01689   0.00015   0.00811   0.00042   0.00852  -0.00837
   D448       2.40078   0.00003   0.02538   0.00127   0.02664   2.42742
   D449      -1.80024  -0.00001   0.02684   0.00129   0.02813  -1.77211
   D450       0.30525   0.00008   0.02873   0.00128   0.03000   0.33526
   D451      -0.71119   0.00006   0.02798   0.00075   0.02873  -0.68246
   D452       1.37098   0.00002   0.02944   0.00077   0.03022   1.40120
   D453      -2.80671   0.00011   0.03133   0.00076   0.03209  -2.77462
   D454       2.04170   0.00006   0.00137  -0.00014   0.00124   2.04294
   D455      -2.15742   0.00003   0.00201  -0.00022   0.00179  -2.15562
   D456      -0.06612   0.00007   0.00335  -0.00028   0.00307  -0.06305
   D457      -1.12947   0.00004  -0.00127   0.00038  -0.00089  -1.13036
   D458       0.95459   0.00000  -0.00064   0.00029  -0.00033   0.95426
   D459       3.04589   0.00004   0.00070   0.00023   0.00094   3.04683
   D460      -3.06308  -0.00043  -0.01793  -0.00013  -0.01806  -3.08114
   D461      -0.00638  -0.00040  -0.01163  -0.00117  -0.01280  -0.01917
   D462       0.09258  -0.00015  -0.01728  -0.00050  -0.01778   0.07480
   D463      -3.13390  -0.00011  -0.01097  -0.00154  -0.01251   3.13677
   D464       1.91765  -0.00005   0.00167  -0.00208  -0.00041   1.91724
   D465      -2.28457   0.00002   0.00198  -0.00177   0.00020  -2.28436
   D466      -0.18971  -0.00006   0.00133  -0.00214  -0.00081  -0.19051
   D467      -1.14231  -0.00009  -0.00459  -0.00107  -0.00566  -1.14796
   D468       0.93867  -0.00002  -0.00428  -0.00076  -0.00504   0.93362
   D469       3.03352  -0.00010  -0.00493  -0.00113  -0.00605   3.02747
   D470      -1.62444  -0.00005  -0.01629   0.00074  -0.01555  -1.63999
   D471       0.48126  -0.00006  -0.01677   0.00060  -0.01617   0.46509
   D472       2.57074  -0.00017  -0.01610   0.00082  -0.01527   2.55546
   D473       1.43600  -0.00001  -0.01008  -0.00026  -0.01035   1.42565
   D474      -2.74148  -0.00002  -0.01057  -0.00040  -0.01097  -2.75245
   D475      -0.65201  -0.00013  -0.00990  -0.00018  -0.01007  -0.66208
   D476       0.00002   0.00009   0.01326  -0.00041   0.01285   0.01287
   D477      -3.03514   0.00005   0.00932  -0.00044   0.00887  -3.02627
   D478       3.11051   0.00014   0.01410  -0.00014   0.01396   3.12447
   D479       0.07535   0.00010   0.01015  -0.00017   0.00998   0.08533
   D480      -0.27921   0.00010  -0.00590  -0.00082  -0.00673  -0.28594
   D481       1.83332  -0.00009  -0.01129  -0.00040  -0.01170   1.82163
   D482      -2.36721  -0.00008  -0.01048  -0.00084  -0.01132  -2.37853
   D483       2.76155   0.00012  -0.00235  -0.00078  -0.00313   2.75842
   D484      -1.40910  -0.00007  -0.00775  -0.00036  -0.00810  -1.41720
   D485       0.67355  -0.00006  -0.00693  -0.00079  -0.00772   0.66583
   D486      -0.07508   0.00011  -0.02670  -0.00043  -0.02713  -0.10221
   D487       2.02429  -0.00007  -0.03029  -0.00033  -0.03062   1.99368
   D488      -2.17615  -0.00005  -0.02838  -0.00047  -0.02885  -2.20500
   D489      -3.11565   0.00008  -0.03054  -0.00047  -0.03101   3.13652
   D490      -1.01628  -0.00011  -0.03413  -0.00037  -0.03450  -1.05078
   D491       1.06646  -0.00008  -0.03222  -0.00051  -0.03273   1.03373
         Item               Value     Threshold  Converged?
 Maximum Force            0.000872     0.000450     NO 
 RMS     Force            0.000074     0.000300     YES
 Maximum Displacement     0.138166     0.001800     NO 
 RMS     Displacement     0.013707     0.001200     NO 
 Predicted change in Energy=-1.143886D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:25:38 2016, MaxMem=  2952790016 cpu:         8.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.788269   -0.580520    1.638420
      2          6           0       -2.052248    1.134934   -1.386517
      3          8           0       -2.586844    0.158658   -1.940473
      4          7           0       -0.762260    1.191139   -0.956170
      5          1           0       -2.613605    2.064653   -1.164516
      6          6           0       -0.247867    2.348417   -0.222960
      7          1           0       -1.009021    3.140743   -0.202742
      8          1           0        0.004468    2.057436    0.809751
      9          1           0        0.661513    2.728946   -0.715673
     10          6           0        0.161842    0.068978   -1.139524
     11          1           0        0.725344   -0.091545   -0.207209
     12          1           0       -0.408384   -0.837280   -1.382070
     13          1           0        0.875369    0.286057   -1.951486
     14          6           0       -2.074693   -3.944597    2.700377
     15          8           0       -2.227115   -3.746893    3.917865
     16          7           0       -2.980490   -3.643016    1.730556
     17          1           0       -1.142586   -4.379900    2.288061
     18          6           0       -4.272251   -3.028270    2.048598
     19          1           0       -4.496062   -2.257945    1.294268
     20          1           0       -5.076208   -3.783012    2.032119
     21          1           0       -4.220922   -2.568068    3.043509
     22          6           0       -2.696408   -3.878646    0.314545
     23          1           0       -3.401940   -4.617466   -0.099862
     24          1           0       -2.806867   -2.935597   -0.245837
     25          1           0       -1.668349   -4.249621    0.200290
     26          6           0        1.606076    0.359391    2.571357
     27          8           0        1.464457    1.384537    3.259043
     28          7           0        1.206968   -0.891730    2.929051
     29          1           0        2.073797    0.383942    1.567344
     30          6           0        1.481069   -2.057333    2.087278
     31          1           0        2.235200   -2.705705    2.564404
     32          1           0        0.557050   -2.642449    1.950992
     33          1           0        1.848102   -1.724825    1.106452
     34          6           0        0.569372   -1.143581    4.223769
     35          1           0        1.316157   -1.454307    4.974382
     36          1           0        0.068157   -0.229119    4.565741
     37          1           0       -0.170510   -1.948322    4.106724
     38          6           0       -4.606227    0.993610    2.892949
     39          8           0       -4.855283    1.553646    1.811192
     40          7           0       -3.551511    1.280280    3.703787
     41          1           0       -5.230374    0.165144    3.283544
     42          6           0       -2.583051    2.328138    3.368911
     43          1           0       -2.676109    2.588503    2.306589
     44          1           0       -2.757748    3.225351    3.985221
     45          1           0       -1.567011    1.954856    3.569537
     46          6           0       -3.253004    0.476460    4.889720
     47          1           0       -4.046272   -0.267974    5.042985
     48          1           0       -2.288019   -0.041612    4.754411
     49          1           0       -3.182666    1.125644    5.777192
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487508   0.000000
     3  O    3.740666   1.243292   0.000000
     4  N    3.305051   1.361039   2.316026   0.000000
     5  H    3.941392   1.108505   2.058067   2.057648   0.000000
     6  C    3.796873   2.466210   3.635341   1.463383   2.561984
     7  H    4.224324   2.552041   3.795005   2.104638   2.158163
     8  H    3.295362   3.147171   4.228946   2.111118   3.279038
     9  H    4.742969   3.217981   4.319530   2.109459   3.371816
    10  C    3.455684   2.469709   2.864408   1.465205   3.418545
    11  H    3.156532   3.257305   3.746651   2.102185   4.088301
    12  H    3.330671   2.567477   2.459551   2.102641   3.651238
    13  H    4.553389   3.100116   3.464573   2.119352   3.994454
    14  C    3.539322   6.519574   6.215825   6.439611   7.165117
    15  O    3.926114   7.211053   7.050025   7.091274   7.730073
    16  N    3.287668   5.779843   5.299446   5.958866   6.410423
    17  H    3.908225   6.689051   6.369057   6.458030   7.457643
    18  C    3.511395   5.836155   5.376783   6.257162   6.246045
    19  H    3.203801   4.966937   4.466389   5.558950   5.317341
    20  H    4.606680   6.709516   6.124964   7.230643   7.104792
    21  H    3.441282   6.167698   5.911456   6.487789   6.461659
    22  C    3.668105   5.333343   4.625682   5.573003   6.125135
    23  H    4.682146   6.047087   5.183010   6.437473   6.812171
    24  H    3.183449   4.294162   3.534772   4.659928   5.087614
    25  H    3.942702   5.626613   4.985922   5.635624   6.528878
    26  C    3.643539   5.445141   6.162586   4.329464   5.888154
    27  O    4.131355   5.831873   6.704535   4.771131   6.054835
    28  N    3.276282   5.775291   6.261676   4.828161   6.332004
    29  H    3.981306   5.129672   5.837560   3.881096   5.679752
    30  C    3.615387   5.894248   6.138510   4.984743   6.658174
    31  H    4.643507   6.981583   7.193789   6.046866   7.757065
    32  H    3.138434   5.675916   5.733565   4.988843   6.474276
    33  H    3.849106   5.441126   5.700877   4.423940   6.278875
    34  C    3.543944   6.598473   7.046659   5.835746   7.032619
    35  H    4.640000   7.649272   8.102486   6.818331   8.093959
    36  H    3.484108   6.464220   7.037771   5.761790   6.729716
    37  H    3.252776   6.574428   6.844459   5.986591   7.061066
    38  C    3.463036   4.985641   5.304434   5.443420   4.645503
    39  O    3.740467   4.272900   4.600739   4.954043   3.760464
    40  N    3.292012   5.308494   5.834919   5.431672   5.019490
    41  H    3.887227   5.731531   5.854796   6.244347   5.499168
    42  C    3.476574   4.931489   5.735522   4.828495   4.541180
    43  H    3.358187   4.017598   4.893837   4.032498   3.510967
    44  H    4.575153   5.807163   6.674403   5.704150   5.280889
    45  H    3.194730   5.046800   5.884436   4.659711   4.849605
    46  C    3.719356   6.423905   6.869957   6.394451   6.291658
    47  H    4.097234   6.876247   7.147071   6.993111   6.784302
    48  H    3.201495   6.257063   6.704541   6.038074   6.290950
    49  H    4.688792   7.252355   7.800796   7.155474   7.028006
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098883   0.000000
     8  H    1.102196   1.796067   0.000000
     9  H    1.102062   1.795371   1.791523   0.000000
    10  C    2.490741   3.418219   2.788979   2.739479   0.000000
    11  H    2.626937   3.668205   2.484349   2.866667   1.101141
    12  H    3.393813   4.192403   3.654300   3.782424   1.097857
    13  H    2.915954   3.841648   3.394213   2.746029   1.102509
    14  C    7.175320   7.730835   6.627350   7.980751   5.987964
    15  O    7.629984   8.118047   6.952019   8.470557   6.770906
    16  N    6.868822   7.324187   6.500231   7.736286   5.647168
    17  H    7.237126   7.923510   6.703762   7.925458   5.765621
    18  C    7.089739   7.333071   6.759399   8.070239   6.278395
    19  H    6.447303   6.598964   6.253962   7.450471   5.747520
    20  H    8.123588   8.335167   7.836982   9.103703   7.234246
    21  H    7.115252   7.310608   6.651231   8.125760   6.607601
    22  C    6.712718   7.237865   6.540415   7.483132   5.086025
    23  H    7.647670   8.119511   7.548863   8.417876   5.978645
    24  H    5.871099   6.336877   5.826512   6.658637   4.317334
    25  H    6.762470   7.430654   6.553527   7.414016   4.878011
    26  C    3.898914   4.719139   2.924339   4.160715   3.992591
    27  O    3.998183   4.602859   2.929743   4.272063   4.772305
    28  N    4.748713   5.565930   3.825574   5.166317   4.309124
    29  H    3.529090   4.498547   2.767066   3.564514   3.328950
    30  C    5.266598   6.201995   4.554531   5.606842   4.083358
    31  H    6.283245   7.236230   5.544590   6.539941   5.071169
    32  H    5.502972   6.366825   4.867925   5.997824   4.130292
    33  H    4.769877   5.792314   4.218118   4.956230   3.332508
    34  C    5.712735   6.359306   4.713931   6.277185   5.513737
    35  H    6.627160   7.302298   5.603304   7.092594   6.405676
    36  H    5.447497   5.937568   4.397710   6.082397   5.713816
    37  H    6.100337   6.721100   5.191025   6.769388   5.630548
    38  C    5.526273   5.208971   5.170101   6.616844   6.312706
    39  O    5.098796   4.622613   4.987371   6.180730   6.006872
    40  N    5.241595   5.018621   4.650204   6.275335   6.222050
    41  H    6.472065   6.231228   6.091304   7.568431   6.974866
    42  C    4.284277   3.986804   3.649360   5.231794   5.741448
    43  H    3.514629   3.062825   3.115774   4.504832   5.126174
    44  H    4.977680   4.539189   4.367776   5.834052   6.689522
    45  H    4.034608   3.993466   3.177496   4.891683   5.359171
    46  C    6.218888   6.169849   5.454975   7.198442   6.941109
    47  H    7.000254   6.954272   6.303673   8.019159   7.486332
    48  H    5.886313   6.027984   5.022135   6.804230   6.383769
    49  H    6.790437   6.674202   5.975075   7.713986   7.755206
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794926   0.000000
    13  H    1.790976   1.798372   0.000000
    14  C    5.580347   5.394292   6.945584   0.000000
    15  O    6.252585   6.313711   7.767843   1.242818   0.000000
    16  N    5.486445   4.916943   6.622892   1.360873   2.315748
    17  H    5.301464   5.153550   6.619445   1.108295   2.057465
    18  C    6.220046   5.612432   7.313236   2.468548   2.862369
    19  H    5.849000   5.088240   6.771937   3.268787   3.774699
    20  H    7.231841   6.490194   8.236972   3.079249   3.416823
    21  H    6.416064   6.092358   7.685583   2.572717   2.475762
    22  C    5.130570   4.166950   5.936097   2.466389   3.636140
    23  H    6.126170   4.989514   6.765236   3.171069   4.275540
    24  H    4.535045   3.383294   5.181424   3.199115   4.281440
    25  H    4.815123   3.966793   5.627878   2.551194   3.792798
    26  C    2.949484   4.595612   4.582076   5.664716   5.776504
    27  O    3.839272   5.475759   5.357546   6.421632   6.355574
    28  N    3.272367   4.604139   5.031579   4.487937   4.574126
    29  H    2.278915   4.043717   3.718599   6.101637   6.409882
    30  C    3.114501   4.134603   4.708500   4.071990   4.467247
    31  H    4.098211   5.104332   5.585074   4.486482   4.777885
    32  H    3.345634   3.911522   4.889459   3.030385   3.583289
    33  H    2.377792   3.474508   3.786931   4.780826   5.347915
    34  C    4.556828   5.698707   6.345966   4.142160   3.832903
    35  H    5.390275   6.615077   7.154776   4.782311   4.350511
    36  H    4.819946   5.997784   6.587204   4.677196   4.250030
    37  H    4.781233   5.605164   6.541271   3.096584   2.738640
    38  C    6.262123   6.264969   7.349631   5.552624   5.402129
    39  O    6.158246   5.973974   6.971722   6.225191   6.280211
    40  N    5.955609   6.342653   7.250370   5.521518   5.203107
    41  H    6.908098   6.784128   8.043646   5.214247   4.972520
    42  C    5.439575   6.109081   6.666137   6.328710   6.110159
    43  H    5.007167   5.521302   6.003787   6.572531   6.552485
    44  H    6.380454   7.129677   7.555361   7.316115   6.992732
    45  H    4.868927   5.801452   6.263529   5.984707   5.750392
    46  C    6.490652   7.010930   7.992610   5.072217   4.453500
    47  H    7.096759   7.405381   8.570422   4.784610   4.083883
    48  H    5.805215   6.467033   7.421822   4.415637   3.799029
    49  H    7.250320   7.924944   8.769550   6.033385   5.302055
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057110   0.000000
    18  C    1.465506   3.417462   0.000000
    19  H    2.098982   4.090980   1.101139   0.000000
    20  H    2.121927   3.986874   1.102840   1.790761   0.000000
    21  H    2.101912   3.650971   1.097392   1.797699   1.797364
    22  C    1.463321   2.561324   2.492661   2.612524   2.936435
    23  H    2.116035   3.295951   2.810492   2.950939   2.836341
    24  H    2.106351   3.358047   2.724035   2.384222   3.325222
    25  H    2.105088   2.156893   3.418807   3.627606   3.897028
    26  C    6.145144   5.486008   6.804722   6.761471   7.880559
    27  O    6.882595   6.400642   7.338110   7.256432   8.425510
    28  N    5.151773   4.254245   5.946582   6.087989   6.974404
    29  H    6.464429   5.792991   7.221296   7.086409   8.288673
    30  C    4.748384   3.509729   5.834801   6.032844   6.780775
    31  H    5.364446   3.780044   6.535826   6.864665   7.409495
    32  H    3.682922   2.453796   4.845671   5.110095   5.748136
    33  H    5.232997   4.170112   6.328137   6.369294   7.282792
    34  C    5.006477   4.141440   5.632471   5.956711   6.606248
    35  H    5.811543   4.671277   6.501374   6.926107   7.412295
    36  H    5.383978   4.886994   5.745467   5.970826   6.746399
    37  H    4.051438   3.188266   4.714493   5.168769   5.633467
    38  C    5.049008   6.421628   4.123105   3.624987   4.876273
    39  O    5.525093   7.015589   4.624959   3.863221   5.345796
    40  N    5.334656   6.312277   4.671480   4.383719   5.545819
    41  H    4.687838   6.193417   3.555416   3.219905   4.144607
    42  C    6.204583   6.945571   5.769552   5.384786   6.734168
    43  H    6.265484   7.135172   5.844859   5.274949   6.814105
    44  H    7.232399   7.957949   6.719525   6.350551   7.635904
    45  H    6.059368   6.476994   5.870530   5.612832   6.899366
    46  C    5.198526   5.899723   4.625362   4.685023   5.443627
    47  H    4.847575   5.738374   4.078805   4.267923   4.741474
    48  H    4.753243   5.120121   4.492073   4.664780   5.402124
    49  H    6.257496   6.829859   5.687232   5.768041   6.458017
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389543   0.000000
    23  H    3.840775   1.102435   0.000000
    24  H    3.599226   1.102530   1.790002   0.000000
    25  H    4.174583   1.098901   1.797426   1.794968   0.000000
    26  C    6.538107   6.447133   7.548824   6.186080   6.130807
    27  O    6.927704   7.326935   8.425444   7.013697   7.135417
    28  N    5.682007   5.567195   6.655633   5.510732   5.195095
    29  H    7.107525   6.518744   7.601142   6.174774   6.110842
    30  C    5.804131   4.889896   5.931412   4.959956   4.276176
    31  H    6.475338   5.546027   6.521541   5.776915   4.817718
    32  H    4.901851   3.845924   4.876505   4.028390   3.255819
    33  H    6.426220   5.091034   6.114369   4.996337   4.422798
    34  C    5.135085   5.781690   6.821509   5.881130   5.553671
    35  H    5.968917   6.610006   7.616690   6.815000   6.285937
    36  H    5.117037   6.247763   7.284712   6.224313   6.183612
    37  H    4.233243   4.948427   5.938168   5.183616   4.774905
    38  C    3.585621   5.833906   6.472357   5.341193   6.585819
    39  O    4.348510   6.034111   6.621704   5.346090   6.813917
    40  N    3.961547   6.231587   7.019511   5.824743   6.811798
    41  H    2.923534   5.620335   6.137097   5.286256   6.456362
    42  C    5.173137   6.918538   7.806689   6.389319   7.358243
    43  H    5.433206   6.767028   7.631765   6.086678   7.225788
    44  H    6.049083   7.996525   8.866379   7.474058   8.449124
    45  H    5.270369   6.774973   7.747701   6.325412   7.060993
    46  C    3.689785   6.341055   7.132055   6.181837   6.843809
    47  H    3.052677   6.100592   6.766249   6.051774   6.705201
    48  H    3.611963   5.882348   6.763374   5.800588   6.231479
    49  H    4.711105   7.424276   8.220168   7.274048   7.892304
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242535   0.000000
    28  N    1.361079   2.314431   0.000000
    29  H    1.107884   2.057750   2.057420   0.000000
    30  C    2.467897   3.635902   1.463674   2.565439   0.000000
    31  H    3.129003   4.219792   2.116774   3.250553   1.103063
    32  H    3.239807   4.330242   2.108081   3.406868   1.102155
    33  H    2.559000   3.801180   2.104036   2.170313   1.098769
    34  C    2.462549   2.850133   1.465010   3.413681   2.496143
    35  H    3.024580   3.320153   2.124098   3.944754   2.954015
    36  H    2.586331   2.502199   2.101119   3.659074   3.388432
    37  H    3.292286   3.807838   2.097796   4.113979   2.611084
    38  C    6.252868   6.094264   6.111387   6.837518   6.856569
    39  O    6.614624   6.485676   6.631770   7.031346   7.298271
    40  N    5.360143   5.036726   5.287813   6.083741   6.251370
    41  H    6.876189   6.805019   6.533148   7.506273   7.170350
    42  C    4.696896   4.157496   4.992522   5.358337   6.114901
    43  H    4.834889   4.415993   5.251455   5.288495   6.238111
    44  H    5.408853   4.662933   5.812472   6.104389   7.033954
    45  H    3.689220   3.100237   4.025945   4.442075   5.252194
    46  C    5.385087   5.073278   5.060387   6.278659   6.056834
    47  H    6.200933   6.023403   5.696870   7.068262   6.518398
    48  H    4.482243   4.283819   4.033556   5.418850   5.038130
    49  H    5.813481   5.291866   5.608083   6.775201   6.745164
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787866   0.000000
    33  H    1.799331   1.795020   0.000000
    34  C    2.822889   2.722548   3.419161   0.000000
    35  H    2.866815   3.335987   3.913697   1.103475   0.000000
    36  H    3.851611   3.591670   4.167976   1.097454   1.795989
    37  H    2.956319   2.378725   3.623034   1.099424   1.790827
    38  C    7.784471   6.384954   7.227712   5.755475   6.737899
    39  O    8.305682   6.849825   7.495359   6.520924   7.559115
    40  N    7.118447   5.944776   6.703180   4.809071   5.725956
    41  H    8.030798   6.569059   7.643070   6.019455   6.952598
    42  C    7.014438   6.047930   6.417191   4.766696   5.664649
    43  H    7.226068   6.159758   6.365031   5.304450   6.276912
    44  H    7.881984   7.039676   7.348837   5.496745   6.282861
    45  H    6.098190   5.316627   5.591943   3.820008   4.680666
    46  C    6.756748   5.734128   6.721611   4.204591   4.961074
    47  H    7.179331   6.032340   7.236183   4.768855   5.492516
    48  H    5.687972   4.766332   5.766134   3.108151   3.877393
    49  H    7.372551   6.543989   7.433008   4.651913   5.247862
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795361   0.000000
    38  C    5.113038   5.459285   0.000000
    39  O    5.916591   6.283339   1.243329   0.000000
    40  N    4.015376   4.692270   1.360905   2.314404   0.000000
    41  H    5.465702   5.544960   1.108368   2.058264   2.058813
    42  C    3.873095   4.965162   2.469969   2.861707   1.465628
    43  H    4.535831   5.486465   2.571548   2.462752   2.104743
    44  H    4.500678   5.785798   3.096870   3.452630   2.119568
    45  H    2.904469   4.180141   3.258619   3.750397   2.100314
    46  C    3.410705   3.999302   2.466932   3.633864   1.463445
    47  H    4.142197   4.326856   2.554955   3.797009   2.106022
    48  H    2.371143   2.922137   3.148144   4.218795   2.108938
    49  H    3.724358   4.616580   3.219133   4.325504   2.111627
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419671   0.000000
    43  H    3.653954   1.097715   0.000000
    44  H    3.996386   1.102428   1.797233   0.000000
    45  H    4.087186   1.100876   1.796287   1.790198   0.000000
    46  C    2.566459   2.488053   3.386164   2.935950   2.602136
    47  H    2.164560   3.418090   4.186248   3.870721   3.641258
    48  H    3.296005   2.760864   3.613856   3.389004   2.430980
    49  H    3.366593   2.757779   3.800216   2.792935   2.858614
                   46         47         48         49
    46  C    0.000000
    47  H    1.098612   0.000000
    48  H    1.103586   1.796098   0.000000
    49  H    1.101814   1.796399   1.791358   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2164488      0.1958809      0.1840460
 Leave Link  202 at Mon Nov 14 05:25:38 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.5294831379 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1853985069 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.3440846309 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4049
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.26D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     235
 GePol: Fraction of low-weight points (<1% of avg)   =       5.80%
 GePol: Cavity surface area                          =    468.500 Ang**2
 GePol: Cavity volume                                =    458.652 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040552596 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.3400293714 Hartrees.
 Leave Link  301 at Mon Nov 14 05:25:38 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   446   446   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:25:40 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:25:40 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.008814    0.007973    0.001511
         Rot=    1.000000   -0.000326    0.000403   -0.000527 Ang=  -0.08 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50882528244    
 Leave Link  401 at Mon Nov 14 05:25:47 2016, MaxMem=  2952790016 cpu:        79.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49183203.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.99D-15 for   2794.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.86D-15 for   1564    625.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.88D-15 for   3744.
 Iteration    1 A^-1*A deviation from orthogonality  is 3.00D-09 for   2501   2490.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.55D-15 for    484.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.21D-14 for   2341    501.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.89D-15 for   3614.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.88D-16 for   3684    468.
 E= -1013.44910586994    
 DIIS: error= 9.53D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.44910586994     IErMin= 1 ErrMin= 9.53D-04
 ErrMax= 9.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-03 BMatP= 1.36D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.53D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.85D-04 MaxDP=7.57D-03              OVMax= 9.32D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.85D-04    CP:  1.00D+00
 E= -1013.45143869549     Delta-E=       -0.002332825557 Rises=F Damp=F
 DIIS: error= 1.23D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45143869549     IErMin= 2 ErrMin= 1.23D-04
 ErrMax= 1.23D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-05 BMatP= 1.36D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.23D-03
 Coeff-Com:  0.186D-01 0.981D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.186D-01 0.981D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.03D-05 MaxDP=2.56D-03 DE=-2.33D-03 OVMax= 3.68D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.96D-05    CP:  1.00D+00  9.58D-01
 E= -1013.45137579992     Delta-E=        0.000062895568 Rises=F Damp=F
 DIIS: error= 3.39D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45143869549     IErMin= 2 ErrMin= 1.23D-04
 ErrMax= 3.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.93D-05 BMatP= 2.24D-05
 IDIUse=3 WtCom= 3.52D-01 WtEn= 6.48D-01
 Coeff-Com:  0.244D-02 0.693D+00 0.304D+00
 Coeff-En:   0.000D+00 0.770D+00 0.230D+00
 Coeff:      0.860D-03 0.743D+00 0.256D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.46D-05 MaxDP=1.91D-03 DE= 6.29D-05 OVMax= 3.01D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.16D-05    CP:  1.00D+00  9.70D-01  4.55D-01
 E= -1013.45145779186     Delta-E=       -0.000081991932 Rises=F Damp=F
 DIIS: error= 3.46D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45145779186     IErMin= 4 ErrMin= 3.46D-05
 ErrMax= 3.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-06 BMatP= 2.24D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.695D-04 0.259D+00 0.988D-01 0.642D+00
 Coeff:     -0.695D-04 0.259D+00 0.988D-01 0.642D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.74D-06 MaxDP=3.07D-04 DE=-8.20D-05 OVMax= 2.21D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.06D-06    CP:  1.00D+00  9.77D-01  3.91D-01  6.58D-01
 E= -1013.45145875755     Delta-E=       -0.000000965689 Rises=F Damp=F
 DIIS: error= 2.69D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45145875755     IErMin= 5 ErrMin= 2.69D-05
 ErrMax= 2.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-07 BMatP= 1.38D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.194D-04 0.147D+00 0.543D-01 0.422D+00 0.377D+00
 Coeff:     -0.194D-04 0.147D+00 0.543D-01 0.422D+00 0.377D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.47D-06 MaxDP=1.01D-04 DE=-9.66D-07 OVMax= 9.33D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.07D-06    CP:  1.00D+00  9.77D-01  3.88D-01  6.76D-01  6.78D-01
 E= -1013.45145906713     Delta-E=       -0.000000309585 Rises=F Damp=F
 DIIS: error= 2.27D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45145906713     IErMin= 6 ErrMin= 2.27D-06
 ErrMax= 2.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-09 BMatP= 3.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.209D-04 0.414D-01 0.147D-01 0.128D+00 0.157D+00 0.659D+00
 Coeff:     -0.209D-04 0.414D-01 0.147D-01 0.128D+00 0.157D+00 0.659D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.84D-07 MaxDP=1.01D-05 DE=-3.10D-07 OVMax= 1.52D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.35D-07    CP:  1.00D+00  9.77D-01  3.90D-01  6.81D-01  6.69D-01
                    CP:  8.72D-01
 E= -1013.45145907076     Delta-E=       -0.000000003627 Rises=F Damp=F
 DIIS: error= 9.72D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45145907076     IErMin= 7 ErrMin= 9.72D-07
 ErrMax= 9.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-09 BMatP= 4.94D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-04 0.127D-01 0.440D-02 0.416D-01 0.610D-01 0.378D+00
 Coeff-Com:  0.503D+00
 Coeff:     -0.129D-04 0.127D-01 0.440D-02 0.416D-01 0.610D-01 0.378D+00
 Coeff:      0.503D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.06D-07 MaxDP=4.50D-06 DE=-3.63D-09 OVMax= 7.93D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.95D-08    CP:  1.00D+00  9.77D-01  3.89D-01  6.81D-01  6.73D-01
                    CP:  8.80D-01  7.13D-01
 E= -1013.45145907151     Delta-E=       -0.000000000756 Rises=F Damp=F
 DIIS: error= 4.46D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45145907151     IErMin= 8 ErrMin= 4.46D-07
 ErrMax= 4.46D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-10 BMatP= 1.01D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.748D-05 0.475D-02 0.165D-02 0.163D-01 0.266D-01 0.193D+00
 Coeff-Com:  0.348D+00 0.410D+00
 Coeff:     -0.748D-05 0.475D-02 0.165D-02 0.163D-01 0.266D-01 0.193D+00
 Coeff:      0.348D+00 0.410D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.11D-08 MaxDP=2.73D-06 DE=-7.56D-10 OVMax= 5.55D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.68D-08    CP:  1.00D+00  9.77D-01  3.89D-01  6.81D-01  6.74D-01
                    CP:  8.81D-01  7.30D-01  5.69D-01
 E= -1013.45145907167     Delta-E=       -0.000000000160 Rises=F Damp=F
 DIIS: error= 2.16D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1013.45145907167     IErMin= 9 ErrMin= 2.16D-07
 ErrMax= 2.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.15D-11 BMatP= 2.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.241D-05 0.551D-03 0.214D-03 0.228D-02 0.552D-02 0.562D-01
 Coeff-Com:  0.146D+00 0.330D+00 0.459D+00
 Coeff:     -0.241D-05 0.551D-03 0.214D-03 0.228D-02 0.552D-02 0.562D-01
 Coeff:      0.146D+00 0.330D+00 0.459D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.09D-08 MaxDP=9.69D-07 DE=-1.60D-10 OVMax= 2.06D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.48D-09    CP:  1.00D+00  9.77D-01  3.89D-01  6.81D-01  6.75D-01
                    CP:  8.85D-01  7.31D-01  6.31D-01  5.34D-01
 E= -1013.45145907177     Delta-E=       -0.000000000102 Rises=F Damp=F
 DIIS: error= 1.60D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1013.45145907177     IErMin=10 ErrMin= 1.60D-08
 ErrMax= 1.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-13 BMatP= 5.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.721D-06 0.647D-04 0.371D-04 0.371D-03 0.133D-02 0.159D-01
 Coeff-Com:  0.467D-01 0.116D+00 0.181D+00 0.638D+00
 Coeff:     -0.721D-06 0.647D-04 0.371D-04 0.371D-03 0.133D-02 0.159D-01
 Coeff:      0.467D-01 0.116D+00 0.181D+00 0.638D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.29D-09 MaxDP=1.04D-07 DE=-1.02D-10 OVMax= 1.16D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45145907     A.U. after   10 cycles
            NFock= 10  Conv=0.23D-08     -V/T= 2.0213
 KE= 9.923529093768D+02 PE=-6.034190013179D+03 EE= 2.177045615359D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:27:48 2016, MaxMem=  2952790016 cpu:      1397.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11992 LenP2D=   37526.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     369
 Leave Link  701 at Mon Nov 14 05:27:57 2016, MaxMem=  2952790016 cpu:        98.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:27:57 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:28:34 2016, MaxMem=  2952790016 cpu:       441.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.20274881D+00-2.54002091D+00 3.32441173D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000161131    0.000130864   -0.000124033
      2        6          -0.000000408    0.000019965   -0.000030324
      3        8           0.000016818    0.000024017    0.000122211
      4        7           0.000082177   -0.000067775   -0.000101701
      5        1          -0.000002394    0.000009533    0.000011369
      6        6          -0.000007049    0.000029251    0.000096781
      7        1          -0.000023718   -0.000016449    0.000023520
      8        1          -0.000039612    0.000036292   -0.000079987
      9        1           0.000003399    0.000012360    0.000031524
     10        6           0.000020114    0.000103132    0.000037304
     11        1           0.000032071    0.000018647    0.000029927
     12        1          -0.000007458    0.000028394   -0.000034435
     13        1           0.000011503    0.000033558    0.000025837
     14        6           0.000055082   -0.000082535   -0.000014538
     15        8          -0.000116683    0.000004083   -0.000068457
     16        7           0.000007260   -0.000014218    0.000080899
     17        1          -0.000022656    0.000043964   -0.000061507
     18        6          -0.000027696   -0.000064671    0.000108610
     19        1          -0.000032767    0.000049237   -0.000076509
     20        1          -0.000019177    0.000013488   -0.000038066
     21        1          -0.000021245    0.000010906   -0.000036121
     22        6          -0.000021250   -0.000097423    0.000129882
     23        1          -0.000032044    0.000089555   -0.000096966
     24        1          -0.000091982    0.000141002   -0.000107113
     25        1          -0.000006887   -0.000025087   -0.000079025
     26        6          -0.000038947   -0.000041772    0.000189679
     27        8           0.000017718    0.000077818   -0.000105979
     28        7          -0.000089233   -0.000036221    0.000025499
     29        1           0.000059050   -0.000029503    0.000034696
     30        6           0.000085995    0.000004430    0.000097352
     31        1          -0.000021121   -0.000074354   -0.000096526
     32        1           0.000030871   -0.000044698   -0.000056417
     33        1          -0.000021178    0.000032928   -0.000013417
     34        6          -0.000018920   -0.000000529    0.000067091
     35        1          -0.000015622   -0.000036384   -0.000011005
     36        1          -0.000032665   -0.000028262   -0.000050457
     37        1           0.000027784   -0.000044710   -0.000004783
     38        6          -0.000135124   -0.000010672   -0.000373211
     39        8          -0.000022829   -0.000086936    0.000100626
     40        7           0.000185250   -0.000172736    0.000325350
     41        1          -0.000011224    0.000048804    0.000073012
     42        6           0.000000159    0.000108164   -0.000047916
     43        1           0.000030192   -0.000008930    0.000046758
     44        1           0.000083813    0.000001781    0.000005667
     45        1           0.000026389   -0.000063965    0.000001905
     46        6          -0.000142186    0.000016813    0.000001462
     47        1           0.000012947   -0.000014790    0.000048285
     48        1           0.000071197    0.000010402   -0.000048659
     49        1           0.000001153   -0.000036772    0.000041905
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000373211 RMS     0.000075789
 Leave Link  716 at Mon Nov 14 05:28:34 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000197293 RMS     0.000017983
 Search for a local minimum.
 Step number 121 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .17983D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  106  108  107  110  111
                                                    112  113  114  115  116
                                                    117  118  119  120  121
 DE= -1.20D-04 DEPred=-1.14D-04 R= 1.05D+00
 TightC=F SS=  1.41D+00  RLast= 3.55D-01 DXNew= 1.1323D-01 1.0664D+00
 Trust test= 1.05D+00 RLast= 3.55D-01 DXMaxT set to 1.13D-01
 ITU=  1 -1  1 -1  0 -1  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1
 ITU=  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1
 ITU=  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0
 ITU=  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00033   0.00067   0.00074   0.00099
     Eigenvalues ---    0.00118   0.00160   0.00178   0.00199   0.00225
     Eigenvalues ---    0.00236   0.00278   0.00341   0.00440   0.00459
     Eigenvalues ---    0.00536   0.00661   0.00720   0.00745   0.00836
     Eigenvalues ---    0.00848   0.00896   0.00968   0.00999   0.01095
     Eigenvalues ---    0.01168   0.01223   0.01233   0.01357   0.01453
     Eigenvalues ---    0.01544   0.01574   0.01711   0.01741   0.01774
     Eigenvalues ---    0.01788   0.01825   0.01913   0.02011   0.02065
     Eigenvalues ---    0.02228   0.02279   0.02343   0.02414   0.02444
     Eigenvalues ---    0.02508   0.02688   0.02957   0.03208   0.03286
     Eigenvalues ---    0.03559   0.04342   0.04389   0.04623   0.05448
     Eigenvalues ---    0.05562   0.05913   0.06021   0.06244   0.06278
     Eigenvalues ---    0.06475   0.06713   0.06871   0.07072   0.07251
     Eigenvalues ---    0.07599   0.07648   0.07852   0.08128   0.08210
     Eigenvalues ---    0.08399   0.08527   0.08807   0.08971   0.09191
     Eigenvalues ---    0.09265   0.09451   0.09496   0.09667   0.09867
     Eigenvalues ---    0.09970   0.10148   0.10461   0.10593   0.10834
     Eigenvalues ---    0.11087   0.11173   0.11298   0.11687   0.12911
     Eigenvalues ---    0.13353   0.14055   0.14365   0.14843   0.15148
     Eigenvalues ---    0.15361   0.15480   0.21162   0.22314   0.23066
     Eigenvalues ---    0.23471   0.24638   0.24839   0.25335   0.25935
     Eigenvalues ---    0.27193   0.27442   0.28118   0.28582   0.29401
     Eigenvalues ---    0.29865   0.31439   0.32780   0.32816   0.32861
     Eigenvalues ---    0.32962   0.33206   0.33306   0.33367   0.33369
     Eigenvalues ---    0.33394   0.33422   0.33457   0.33531   0.33723
     Eigenvalues ---    0.33809   0.33829   0.33840   0.33951   0.33976
     Eigenvalues ---    0.34068   0.34234   0.34265   0.36210   0.37667
     Eigenvalues ---    0.40566   0.42641   0.86176   0.86275   0.87102
     Eigenvalues ---    0.89580
 Eigenvalue     1 is   1.01D-05 Eigenvector:
                         D399      D407      D397      D405      D403
   1                   -0.22619  -0.22551  -0.22329  -0.22312  -0.22232
                         D395      D401      D393      D389      D379
   1                   -0.22068  -0.21995  -0.21958  -0.21916  -0.21847
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   121  120  119  118  117
 RFO step:  Lambda=-6.79237997D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC= -1.14D-05 SmlDif=  1.00D-05
 RMS Error=  0.6187694482D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.06479   -0.01684   -0.09722    0.07088   -0.02160
 Iteration  1 RMS(Cart)=  0.00168083 RMS(Int)=  0.00001151
 Iteration  2 RMS(Cart)=  0.00000206 RMS(Int)=  0.00000161
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000161
 ITry= 1 IFail=0 DXMaxC= 1.69D-02 DCOld= 1.00D+10 DXMaxT= 1.13D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59044  -0.00006   0.00035  -0.00021   0.00014   6.59058
    R2        6.24564   0.00000   0.00017  -0.00172  -0.00155   6.24409
    R3        7.17505  -0.00001  -0.00123  -0.00054  -0.00177   7.17328
    R4        6.22733   0.00001  -0.00261   0.00062  -0.00200   6.22534
    R5        6.53030   0.00003   0.00043  -0.00017   0.00025   6.53055
    R6        5.96498   0.00003   0.00101  -0.00129  -0.00028   5.96470
    R7        6.68835   0.00002  -0.00050   0.00108   0.00058   6.68893
    R8        6.21279   0.00003  -0.00040  -0.00112  -0.00153   6.21127
    R9        6.63557   0.00004  -0.00081  -0.00160  -0.00241   6.63317
   R10        6.05431   0.00001   0.00059   0.00058   0.00117   6.05548
   R11        6.93171   0.00002  -0.00054  -0.00131  -0.00184   6.92987
   R12        6.01585   0.00000  -0.00041  -0.00078  -0.00119   6.01466
   R13        6.88529   0.00000  -0.00078   0.00022  -0.00057   6.88473
   R14        6.19128  -0.00001   0.00016  -0.00037  -0.00021   6.19107
   R15        6.83209   0.00004   0.00034   0.00014   0.00048   6.83257
   R16        5.93078   0.00006   0.00086   0.00098   0.00184   5.93262
   R17        6.69708  -0.00002   0.00025  -0.00203  -0.00178   6.69531
   R18        6.54419   0.00001  -0.00152  -0.00018  -0.00169   6.54250
   R19        6.22100   0.00000   0.00001   0.00031   0.00032   6.22132
   R20        6.56977  -0.00002   0.00018  -0.00195  -0.00178   6.56800
   R21        6.03716  -0.00003   0.00135  -0.00503  -0.00368   6.03348
   R22        7.02856   0.00007   0.00099  -0.00003   0.00096   7.02953
   R23        6.04995  -0.00002   0.00084  -0.00106  -0.00022   6.04973
   R24        2.34948  -0.00005   0.00000  -0.00002  -0.00001   2.34947
   R25        2.57199   0.00001  -0.00005  -0.00001  -0.00005   2.57194
   R26        2.09477  -0.00001   0.00001   0.00001   0.00002   2.09479
   R27        2.76539   0.00002  -0.00006   0.00009   0.00003   2.76543
   R28        2.76884  -0.00006   0.00000   0.00004   0.00005   2.76888
   R29        2.07659   0.00000   0.00001  -0.00001   0.00000   2.07659
   R30        2.08285  -0.00006  -0.00004   0.00003   0.00000   2.08284
   R31        2.08260  -0.00001  -0.00002   0.00002  -0.00001   2.08259
   R32        2.08086   0.00002  -0.00004  -0.00003  -0.00007   2.08078
   R33        2.07465   0.00001   0.00000  -0.00002  -0.00002   2.07463
   R34        2.08344  -0.00001   0.00000   0.00001   0.00001   2.08345
   R35        2.34859  -0.00003  -0.00001  -0.00004  -0.00005   2.34854
   R36        2.57168  -0.00005  -0.00015   0.00019   0.00005   2.57172
   R37        2.09437  -0.00001   0.00001   0.00000   0.00001   2.09438
   R38        2.76941   0.00001   0.00007  -0.00002   0.00006   2.76947
   R39        2.76528   0.00003  -0.00009   0.00029   0.00021   2.76548
   R40        2.08085   0.00006  -0.00002  -0.00003  -0.00005   2.08081
   R41        2.08406   0.00000   0.00000  -0.00001  -0.00001   2.08405
   R42        2.07377  -0.00001   0.00000  -0.00001  -0.00001   2.07376
   R43        2.08330  -0.00001   0.00000  -0.00001  -0.00001   2.08329
   R44        2.08348   0.00009  -0.00001   0.00005   0.00004   2.08352
   R45        2.07662   0.00002  -0.00001   0.00002   0.00001   2.07663
   R46        2.34805   0.00001   0.00001   0.00006   0.00007   2.34812
   R47        2.57207   0.00004  -0.00002  -0.00003  -0.00005   2.57202
   R48        2.09360   0.00000   0.00000  -0.00002  -0.00003   2.09357
   R49        2.76594   0.00002   0.00001   0.00007   0.00009   2.76603
   R50        2.76847   0.00000   0.00002   0.00002   0.00004   2.76850
   R51        2.08449  -0.00001   0.00000  -0.00001   0.00000   2.08448
   R52        2.08277   0.00001   0.00008  -0.00013  -0.00006   2.08271
   R53        2.07637   0.00001   0.00000   0.00001   0.00000   2.07637
   R54        2.08527  -0.00001   0.00000  -0.00001  -0.00001   2.08526
   R55        2.07389  -0.00001   0.00000  -0.00001   0.00000   2.07388
   R56        2.07761  -0.00001  -0.00001  -0.00007  -0.00008   2.07753
   R57        2.34955  -0.00012   0.00002  -0.00001   0.00001   2.34956
   R58        2.57174   0.00020  -0.00001   0.00026   0.00025   2.57199
   R59        2.09451   0.00000  -0.00001  -0.00003  -0.00004   2.09447
   R60        2.76964   0.00011  -0.00005   0.00020   0.00016   2.76979
   R61        2.76551  -0.00005   0.00003   0.00011   0.00014   2.76565
   R62        2.07438  -0.00003   0.00000  -0.00002  -0.00002   2.07436
   R63        2.08329  -0.00001   0.00002  -0.00004  -0.00002   2.08327
   R64        2.08035  -0.00001   0.00000   0.00005   0.00004   2.08040
   R65        2.07608   0.00000   0.00000   0.00000   0.00000   2.07607
   R66        2.08548   0.00004  -0.00001   0.00016   0.00016   2.08563
   R67        2.08213   0.00002  -0.00002  -0.00001  -0.00004   2.08209
    A1        0.68574   0.00000   0.00004   0.00007   0.00011   0.68585
    A2        0.96345  -0.00001   0.00000   0.00017   0.00017   0.96362
    A3        0.72728   0.00000  -0.00006   0.00004  -0.00002   0.72726
    A4        1.02035   0.00000  -0.00010   0.00016   0.00006   1.02041
    A5        2.37698  -0.00001   0.00064   0.00016   0.00080   2.37778
    A6        2.04323   0.00000   0.00047   0.00009   0.00056   2.04379
    A7        1.97215   0.00000   0.00011  -0.00002   0.00010   1.97225
    A8        1.67136  -0.00001  -0.00010  -0.00023  -0.00033   1.67103
    A9        1.68151  -0.00001   0.00059   0.00006   0.00065   1.68216
   A10        1.39620  -0.00002   0.00054  -0.00005   0.00049   1.39669
   A11        1.73728   0.00001  -0.00006   0.00051   0.00044   1.73773
   A12        2.04610   0.00001  -0.00004   0.00036   0.00032   2.04642
   A13        1.95741   0.00000  -0.00005   0.00011   0.00006   1.95748
   A14        2.05569  -0.00001   0.00013   0.00008   0.00021   2.05590
   A15        2.43605   0.00001  -0.00002   0.00055   0.00053   2.43658
   A16        1.59983  -0.00001   0.00065   0.00141   0.00207   1.60190
   A17        1.79835   0.00002   0.00044   0.00175   0.00219   1.80053
   A18        1.57370   0.00000   0.00018   0.00179   0.00197   1.57566
   A19        1.71042   0.00001   0.00003   0.00158   0.00161   1.71203
   A20        2.20014   0.00001   0.00035   0.00179   0.00214   2.20228
   A21        2.41823   0.00000   0.00032   0.00196   0.00228   2.42051
   A22        0.65113  -0.00001   0.00014   0.00008   0.00023   0.65135
   A23        0.66120   0.00000  -0.00008   0.00023   0.00015   0.66135
   A24        2.44991  -0.00001   0.00093   0.00070   0.00163   2.45154
   A25        2.25739   0.00000   0.00072   0.00054   0.00126   2.25865
   A26        2.32537   0.00000   0.00028   0.00029   0.00057   2.32594
   A27        2.04733  -0.00001  -0.00006  -0.00005  -0.00011   2.04723
   A28        1.84991   0.00000   0.00073   0.00044   0.00117   1.85108
   A29        1.60203  -0.00001   0.00063   0.00030   0.00093   1.60297
   A30        1.34234   0.00000  -0.00004   0.00040   0.00036   1.34270
   A31        1.64723   0.00001   0.00000   0.00037   0.00037   1.64760
   A32        1.60651  -0.00001   0.00001   0.00033   0.00035   1.60686
   A33        1.77050  -0.00001   0.00019   0.00042   0.00061   1.77111
   A34        2.03906   0.00001  -0.00001   0.00047   0.00046   2.03952
   A35        1.86851   0.00000   0.00072   0.00123   0.00195   1.87047
   A36        1.93456   0.00002   0.00046   0.00146   0.00192   1.93649
   A37        1.58404   0.00000   0.00029   0.00138   0.00168   1.58572
   A38        1.59842   0.00000   0.00013   0.00113   0.00126   1.59968
   A39        2.28652   0.00001   0.00023   0.00151   0.00174   2.28826
   A40        2.37791   0.00000   0.00020   0.00153   0.00173   2.37964
   A41        0.69504  -0.00001   0.00009   0.00005   0.00014   0.69518
   A42        0.75363   0.00000  -0.00001   0.00036   0.00035   0.75398
   A43        2.72171   0.00001   0.00100   0.00094   0.00194   2.72365
   A44        2.64547   0.00001   0.00086   0.00064   0.00149   2.64696
   A45        2.65089   0.00000   0.00002  -0.00012  -0.00010   2.65079
   A46        2.33799  -0.00001  -0.00016  -0.00035  -0.00051   2.33748
   A47        2.23586   0.00000   0.00085   0.00052   0.00136   2.23722
   A48        1.99360  -0.00001   0.00072   0.00033   0.00105   1.99465
   A49        1.10243   0.00001  -0.00002   0.00071   0.00069   1.10313
   A50        1.46610   0.00001   0.00005   0.00071   0.00075   1.46685
   A51        1.57989   0.00000   0.00011   0.00072   0.00082   1.58072
   A52        1.82602   0.00000   0.00025   0.00079   0.00104   1.82705
   A53        1.78268   0.00001   0.00001   0.00069   0.00070   1.78338
   A54        1.72853   0.00000   0.00069   0.00086   0.00154   1.73008
   A55        1.65975   0.00001   0.00035   0.00113   0.00148   1.66123
   A56        1.25705  -0.00001   0.00025   0.00108   0.00132   1.25837
   A57        1.21966   0.00000   0.00005   0.00098   0.00103   1.22069
   A58        1.94883   0.00000   0.00006   0.00125   0.00131   1.95014
   A59        1.99394   0.00000   0.00007   0.00140   0.00147   1.99540
   A60        0.85051  -0.00001   0.00030   0.00003   0.00034   0.85084
   A61        0.78943  -0.00001   0.00030   0.00032   0.00062   0.79005
   A62        2.64739   0.00002   0.00088   0.00074   0.00162   2.64900
   A63        2.82405   0.00001   0.00123   0.00094   0.00216   2.82622
   A64        2.59041  -0.00002  -0.00042  -0.00039  -0.00081   2.58960
   A65        2.43981   0.00000   0.00107   0.00069   0.00177   2.44158
   A66        2.23627  -0.00001   0.00087   0.00048   0.00136   2.23763
   A67        0.86462   0.00001   0.00021   0.00073   0.00094   0.86556
   A68        1.24269   0.00002   0.00028   0.00072   0.00100   1.24369
   A69        1.43666   0.00001   0.00041   0.00078   0.00119   1.43785
   A70        1.71574   0.00000   0.00052   0.00085   0.00136   1.71710
   A71        1.51949   0.00002   0.00015   0.00063   0.00078   1.52027
   A72        1.74153   0.00000   0.00034   0.00059   0.00093   1.74247
   A73        1.56746   0.00001   0.00004   0.00080   0.00084   1.56830
   A74        1.13713  -0.00001   0.00003   0.00069   0.00072   1.13785
   A75        1.02282   0.00000  -0.00010   0.00066   0.00056   1.02337
   A76        1.77887   0.00001  -0.00022   0.00094   0.00072   1.77959
   A77        1.76697   0.00000  -0.00012   0.00113   0.00101   1.76799
   A78        2.05501   0.00001   0.00098   0.00079   0.00177   2.05678
   A79        1.98477   0.00002   0.00086   0.00082   0.00168   1.98645
   A80        2.24481   0.00001   0.00065   0.00085   0.00150   2.24631
   A81        2.08175   0.00000   0.00015   0.00043   0.00057   2.08232
   A82        1.58937   0.00002   0.00077   0.00067   0.00144   1.59081
   A83        1.41395   0.00001   0.00064   0.00058   0.00122   1.41517
   A84        1.19354   0.00000  -0.00007  -0.00010  -0.00017   1.19336
   A85        1.38840   0.00001  -0.00004  -0.00006  -0.00010   1.38830
   A86        1.23054   0.00000   0.00001   0.00004   0.00005   1.23059
   A87        1.35086   0.00000   0.00021   0.00025   0.00046   1.35132
   A88        1.81407   0.00001  -0.00005   0.00007   0.00001   1.81408
   A89        2.29827  -0.00001   0.00068   0.00133   0.00201   2.30028
   A90        2.34670   0.00001   0.00044   0.00133   0.00177   2.34847
   A91        1.95185  -0.00002   0.00034   0.00110   0.00143   1.95328
   A92        1.87305  -0.00001   0.00020   0.00066   0.00086   1.87391
   A93        2.62913   0.00000   0.00010   0.00101   0.00111   2.63024
   A94        2.56598  -0.00001   0.00002   0.00053   0.00055   2.56653
   A95        1.96830   0.00001   0.00099   0.00058   0.00157   1.96988
   A96        2.03696   0.00001   0.00093   0.00063   0.00156   2.03852
   A97        2.40328   0.00001   0.00085   0.00075   0.00160   2.40489
   A98        2.33413   0.00000   0.00028   0.00038   0.00066   2.33479
   A99        1.69653   0.00002   0.00079   0.00049   0.00128   1.69781
   A100       1.59411   0.00002   0.00063   0.00044   0.00107   1.59519
   A101       0.88653   0.00000  -0.00009  -0.00010  -0.00018   0.88634
   A102       1.06676   0.00000  -0.00001  -0.00004  -0.00005   1.06671
   A103       0.94686   0.00000   0.00008   0.00007   0.00015   0.94702
   A104       1.12067  -0.00001   0.00028   0.00026   0.00054   1.12122
   A105       1.49211   0.00000  -0.00003   0.00008   0.00005   1.49217
   A106       2.48061   0.00000   0.00068   0.00127   0.00195   2.48256
   A107       2.35434   0.00000   0.00032   0.00101   0.00133   2.35567
   A108       1.92142  -0.00002   0.00033   0.00087   0.00120   1.92261
   A109       1.74705  -0.00002   0.00021   0.00046   0.00067   1.74772
   A110       2.46658  -0.00001  -0.00010   0.00043   0.00034   2.46692
   A111       2.30139  -0.00001  -0.00008   0.00016   0.00007   2.30147
   A112       0.71534  -0.00001   0.00005   0.00001   0.00006   0.71541
   A113       1.00769   0.00000   0.00004   0.00004   0.00007   1.00776
   A114       0.69764   0.00000   0.00001   0.00007   0.00008   0.69772
   A115       0.98669   0.00001   0.00003   0.00016   0.00019   0.98688
   A116       1.81703   0.00001   0.00024  -0.00032  -0.00007   1.81696
   A117       1.43589   0.00000   0.00017  -0.00031  -0.00014   1.43575
   A118       1.21074   0.00001   0.00048  -0.00004   0.00044   1.21118
   A119       0.93494   0.00001   0.00048  -0.00002   0.00046   0.93539
   A120       1.24922   0.00000  -0.00021  -0.00055  -0.00076   1.24846
   A121       1.83123  -0.00001  -0.00164  -0.00177  -0.00341   1.82782
   A122       1.88144  -0.00002  -0.00142  -0.00213  -0.00355   1.87789
   A123       2.24897   0.00001  -0.00121  -0.00209  -0.00330   2.24567
   A124       2.18775   0.00000  -0.00080  -0.00180  -0.00260   2.18515
   A125       1.54675  -0.00001  -0.00116  -0.00221  -0.00337   1.54338
   A126       1.42562   0.00000  -0.00109  -0.00228  -0.00337   1.42225
   A127       0.65804   0.00000  -0.00002   0.00004   0.00002   0.65806
   A128       0.66233   0.00002   0.00002   0.00019   0.00021   0.66254
   A129       2.17847   0.00000   0.00025  -0.00033  -0.00007   2.17839
   A130       1.80493   0.00000   0.00013  -0.00036  -0.00023   1.80470
   A131       1.51471   0.00000   0.00036  -0.00016   0.00020   1.51491
   A132       1.21984   0.00000   0.00034  -0.00017   0.00017   1.22001
   A133       1.64366  -0.00001  -0.00019  -0.00058  -0.00078   1.64288
   A134       1.68926  -0.00001  -0.00145  -0.00137  -0.00282   1.68644
   A135       1.89096  -0.00001  -0.00126  -0.00172  -0.00298   1.88797
   A136       2.32196   0.00000  -0.00125  -0.00162  -0.00288   2.31908
   A137       2.41499   0.00000  -0.00098  -0.00162  -0.00260   2.41239
   A138       1.66836  -0.00001  -0.00096  -0.00190  -0.00287   1.66549
   A139       1.64378   0.00000  -0.00092  -0.00203  -0.00296   1.64082
   A140       0.70786   0.00000   0.00010   0.00026   0.00036   0.70822
   A141       0.83267   0.00000   0.00006   0.00028   0.00034   0.83302
   A142       2.51314   0.00000   0.00026  -0.00036  -0.00010   2.51304
   A143       2.13470  -0.00001   0.00026  -0.00029  -0.00004   2.13467
   A144       1.91819   0.00000   0.00049  -0.00005   0.00044   1.91863
   A145       1.62985   0.00000   0.00046  -0.00005   0.00041   1.63026
   A146       1.84901  -0.00001   0.00002  -0.00053  -0.00051   1.84850
   A147       1.26496  -0.00001  -0.00145  -0.00139  -0.00285   1.26211
   A148       1.51261  -0.00001  -0.00117  -0.00153  -0.00270   1.50991
   A149       1.94266   0.00001  -0.00122  -0.00138  -0.00261   1.94005
   A150       2.13128   0.00000  -0.00103  -0.00128  -0.00231   2.12898
   A151       1.38717  -0.00001  -0.00074  -0.00155  -0.00229   1.38488
   A152       1.46381   0.00000  -0.00065  -0.00158  -0.00223   1.46158
   A153       0.76875  -0.00001  -0.00008   0.00006  -0.00002   0.76873
   A154       0.76506  -0.00001  -0.00016   0.00001  -0.00016   0.76490
   A155       2.82386   0.00001   0.00029  -0.00028   0.00001   2.82387
   A156       2.44225   0.00000   0.00024  -0.00025  -0.00002   2.44223
   A157       2.16972   0.00001   0.00029  -0.00016   0.00013   2.16984
   A158       1.87372   0.00000   0.00026  -0.00018   0.00009   1.87380
   A159       2.16210   0.00000   0.00014  -0.00036  -0.00022   2.16188
   A160       1.14742  -0.00001  -0.00092  -0.00074  -0.00166   1.14576
   A161       1.48133   0.00001  -0.00062  -0.00074  -0.00136   1.47997
   A162       1.87370   0.00001  -0.00080  -0.00058  -0.00138   1.87232
   A163       2.14002   0.00001  -0.00067  -0.00048  -0.00115   2.13888
   A164       1.48052   0.00000  -0.00018  -0.00072  -0.00090   1.47962
   A165       1.63159   0.00001  -0.00015  -0.00081  -0.00096   1.63062
   A166       2.15917   0.00002   0.00019  -0.00028  -0.00008   2.15908
   A167       1.85783   0.00001  -0.00004  -0.00042  -0.00047   1.85736
   A168       1.47205   0.00001   0.00009  -0.00034  -0.00025   1.47180
   A169       1.19204   0.00001   0.00006  -0.00035  -0.00029   1.19174
   A170       1.85995   0.00001  -0.00037  -0.00056  -0.00093   1.85902
   A171       1.91558  -0.00002  -0.00105  -0.00074  -0.00179   1.91379
   A172       2.21688  -0.00001  -0.00100  -0.00115  -0.00215   2.21473
   A173       2.63687   0.00000  -0.00100  -0.00078  -0.00178   2.63509
   A174       2.06408  -0.00001  -0.00085  -0.00162  -0.00247   2.06160
   A175       2.05328   0.00000  -0.00092  -0.00192  -0.00284   2.05044
   A176       2.26592   0.00003   0.00019  -0.00012   0.00006   2.26598
   A177       2.04363   0.00002  -0.00008  -0.00033  -0.00041   2.04323
   A178       1.63147   0.00002  -0.00002  -0.00030  -0.00032   1.63115
   A179       1.38169   0.00002  -0.00004  -0.00029  -0.00033   1.38136
   A180       2.12600   0.00002  -0.00037  -0.00045  -0.00082   2.12518
   A181       1.86537  -0.00003  -0.00067  -0.00028  -0.00095   1.86442
   A182       2.23716  -0.00001  -0.00062  -0.00049  -0.00111   2.23605
   A183       2.56884  -0.00001  -0.00050   0.00024  -0.00026   2.56858
   A184       2.21634  -0.00001  -0.00060  -0.00113  -0.00173   2.21461
   A185       2.27926   0.00001  -0.00076  -0.00159  -0.00234   2.27691
   A186       0.69375   0.00000   0.00004  -0.00001   0.00004   0.69379
   A187       0.98580   0.00001   0.00004  -0.00002   0.00002   0.98582
   A188       0.69887   0.00000   0.00004   0.00005   0.00009   0.69897
   A189       2.15083   0.00001   0.00042   0.00030   0.00073   2.15156
   A190       1.76453  -0.00002   0.00024   0.00021   0.00045   1.76497
   A191       1.44012  -0.00002   0.00046   0.00020   0.00067   1.44079
   A192       1.13291  -0.00002   0.00041   0.00007   0.00048   1.13340
   A193       1.64059  -0.00001  -0.00007   0.00003  -0.00003   1.64056
   A194       1.42305  -0.00002  -0.00001   0.00008   0.00008   1.42312
   A195       0.66838   0.00000  -0.00008  -0.00006  -0.00013   0.66825
   A196       2.27103   0.00001   0.00011  -0.00035  -0.00024   2.27078
   A197       1.87152  -0.00002   0.00009  -0.00037  -0.00028   1.87124
   A198       1.66332  -0.00002   0.00042  -0.00022   0.00020   1.66352
   A199       1.34277  -0.00001   0.00042  -0.00027   0.00015   1.34292
   A200       1.61348  -0.00001  -0.00015  -0.00052  -0.00068   1.61280
   A201       1.34415  -0.00001  -0.00010  -0.00047  -0.00057   1.34358
   A202       0.71201   0.00001  -0.00005   0.00014   0.00009   0.71210
   A203       2.63942   0.00001  -0.00018  -0.00078  -0.00097   2.63845
   A204       2.26185  -0.00002  -0.00002  -0.00062  -0.00064   2.26121
   A205       2.07909  -0.00002   0.00041  -0.00018   0.00023   2.07932
   A206       1.75839  -0.00001   0.00040  -0.00024   0.00016   1.75856
   A207       1.94301  -0.00001  -0.00023  -0.00089  -0.00112   1.94189
   A208       1.66000  -0.00001  -0.00018  -0.00086  -0.00104   1.65896
   A209       0.83094   0.00001  -0.00020  -0.00001  -0.00021   0.83073
   A210       2.62731   0.00001  -0.00081  -0.00152  -0.00233   2.62498
   A211       2.35907  -0.00002  -0.00039  -0.00126  -0.00165   2.35742
   A212       2.30626  -0.00001   0.00021  -0.00060  -0.00040   2.30587
   A213       1.99264  -0.00001   0.00026  -0.00052  -0.00026   1.99238
   A214       1.97571   0.00000  -0.00046  -0.00140  -0.00187   1.97384
   A215       1.70148   0.00000  -0.00041  -0.00136  -0.00177   1.69971
   A216       1.92760   0.00001  -0.00012  -0.00089  -0.00101   1.92659
   A217       1.55924  -0.00003  -0.00004  -0.00092  -0.00096   1.55828
   A218       1.49261  -0.00001   0.00028  -0.00083  -0.00055   1.49206
   A219       1.20151  -0.00001   0.00033  -0.00074  -0.00041   1.20110
   A220       1.23389  -0.00001  -0.00017  -0.00094  -0.00111   1.23278
   A221       0.95276  -0.00001  -0.00012  -0.00088  -0.00099   0.95176
   A222       0.72779   0.00003   0.00008   0.00017   0.00025   0.72805
   A223       1.02001   0.00003   0.00006   0.00027   0.00033   1.02034
   A224       0.69772   0.00002  -0.00002   0.00005   0.00004   0.69776
   A225       0.98108   0.00002  -0.00007   0.00002  -0.00005   0.98103
   A226       0.65880   0.00001  -0.00006   0.00026   0.00021   0.65900
   A227       0.66098  -0.00002  -0.00003   0.00005   0.00002   0.66100
   A228       0.70300   0.00001  -0.00008   0.00013   0.00004   0.70304
   A229       0.84867   0.00000   0.00009   0.00020   0.00029   0.84896
   A230       0.75735   0.00001  -0.00014   0.00030   0.00015   0.75751
   A231       0.77973   0.00000   0.00008   0.00041   0.00049   0.78022
   A232       1.60356  -0.00007   0.00046  -0.00038   0.00008   1.60364
   A233       1.85165  -0.00001  -0.00049   0.00113   0.00064   1.85229
   A234       2.19056  -0.00003   0.00002   0.00001   0.00003   2.19059
   A235       2.12948   0.00002  -0.00001  -0.00009  -0.00010   2.12938
   A236       1.96277   0.00000  -0.00001   0.00008   0.00007   1.96284
   A237       2.12262  -0.00003  -0.00007   0.00006  -0.00001   2.12261
   A238       2.12537   0.00002  -0.00004   0.00008   0.00004   2.12541
   A239       2.03384   0.00000   0.00009  -0.00006   0.00003   2.03387
   A240       1.84022  -0.00003   0.00076  -0.00018   0.00058   1.84080
   A241       2.53274   0.00002  -0.00077   0.00007  -0.00070   2.53205
   A242       1.91341   0.00001  -0.00002  -0.00008  -0.00010   1.91331
   A243       1.91893   0.00000   0.00011   0.00002   0.00013   1.91906
   A244       1.91677  -0.00001   0.00002  -0.00011  -0.00010   1.91667
   A245       1.90889  -0.00001  -0.00004   0.00015   0.00011   1.90900
   A246       1.90797   0.00001  -0.00004   0.00016   0.00012   1.90808
   A247       1.89773   0.00001  -0.00003  -0.00013  -0.00016   1.89757
   A248       1.29672   0.00001  -0.00032   0.00139   0.00108   1.29780
   A249       1.90546   0.00002  -0.00006   0.00023   0.00016   1.90562
   A250       1.90951  -0.00002  -0.00001  -0.00001  -0.00002   1.90949
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   A257       2.19105  -0.00002  -0.00002  -0.00003  -0.00005   2.19099
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   A260       2.12350   0.00001  -0.00005  -0.00019  -0.00024   2.12326
   A261       2.12317   0.00001  -0.00008  -0.00010  -0.00018   2.12299
   A262       2.03607  -0.00003   0.00012   0.00031   0.00042   2.03649
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   A265       1.93077   0.00001   0.00004   0.00007   0.00011   1.93088
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   A267       1.89690   0.00000   0.00004   0.00008   0.00012   1.89702
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   A269       1.91202   0.00001   0.00004   0.00008   0.00011   1.91213
   A270       2.68302  -0.00003   0.00017   0.00052   0.00069   2.68371
   A271       1.68046   0.00003  -0.00016  -0.00050  -0.00065   1.67981
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   A273       1.91203   0.00001  -0.00003   0.00012   0.00009   1.91212
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   A277       1.90672   0.00002   0.00002  -0.00021  -0.00019   1.90653
   A278       1.82179   0.00000  -0.00051  -0.00098  -0.00148   1.82031
   A279       1.73855   0.00004   0.00021   0.00142   0.00163   1.74019
   A280       2.18894   0.00002  -0.00008   0.00020   0.00012   2.18905
   A281       2.13105  -0.00003   0.00003  -0.00013  -0.00010   2.13095
   A282       1.96311   0.00001   0.00005  -0.00006  -0.00002   1.96309
   A283       2.12465  -0.00001   0.00008   0.00003   0.00011   2.12476
   A284       2.11518  -0.00001   0.00002  -0.00015  -0.00013   2.11506
   A285       2.04077   0.00002  -0.00008   0.00013   0.00005   2.04082
   A286       2.71901   0.00002   0.00053   0.00074   0.00127   2.72028
   A287       1.63848  -0.00001  -0.00050  -0.00076  -0.00126   1.63722
   A288       1.92555   0.00001  -0.00001   0.00025   0.00024   1.92579
   A289       1.91440   0.00000  -0.00015  -0.00012  -0.00027   1.91413
   A290       1.91234   0.00001   0.00003  -0.00017  -0.00014   1.91220
   A291       1.89084   0.00001   0.00007   0.00006   0.00013   1.89097
   A292       1.91306   0.00000   0.00002   0.00005   0.00007   1.91313
   A293       1.90744  -0.00002   0.00005  -0.00008  -0.00003   1.90741
   A294       1.36035  -0.00004   0.00015  -0.00195  -0.00180   1.35855
   A295       1.14936   0.00002  -0.00011   0.00126   0.00115   1.15051
   A296       1.93374   0.00000  -0.00002   0.00003   0.00002   1.93376
   A297       1.90806  -0.00002   0.00001  -0.00005  -0.00004   1.90801
   A298       1.90142   0.00001   0.00001   0.00006   0.00007   1.90149
   A299       1.90896   0.00003   0.00000  -0.00004  -0.00004   1.90892
   A300       1.89837  -0.00002   0.00001   0.00003   0.00005   1.89841
   A301       1.91319  -0.00001  -0.00001  -0.00004  -0.00005   1.91314
   A302       1.62338   0.00000  -0.00086  -0.00076  -0.00162   1.62176
   A303       1.81948   0.00005   0.00028   0.00106   0.00134   1.82082
   A304       2.18799   0.00004  -0.00006   0.00007   0.00000   2.18799
   A305       2.12998  -0.00001   0.00001   0.00006   0.00008   2.13006
   A306       1.96482  -0.00003   0.00005  -0.00012  -0.00008   1.96475
   A307       2.12537  -0.00007   0.00006  -0.00010  -0.00004   2.12533
   A308       2.12376   0.00002  -0.00005  -0.00003  -0.00008   2.12367
   A309       2.02982   0.00005  -0.00003   0.00001  -0.00002   2.02980
   A310       1.30375  -0.00001  -0.00038   0.00070   0.00033   1.30407
   A311       3.04566   0.00000   0.00063  -0.00152  -0.00090   3.04476
   A312       1.91206   0.00003   0.00005   0.00005   0.00010   1.91216
   A313       1.92775   0.00000  -0.00016   0.00036   0.00020   1.92795
   A314       1.90265  -0.00005   0.00007   0.00000   0.00007   1.90272
   A315       1.91193   0.00002  -0.00005  -0.00006  -0.00010   1.91182
   A316       1.91244   0.00000   0.00004  -0.00018  -0.00014   1.91230
   A317       1.89688   0.00000   0.00005  -0.00019  -0.00013   1.89674
   A318       1.78620   0.00002   0.00073   0.00043   0.00116   1.78736
   A319       1.91554   0.00002  -0.00004   0.00006   0.00003   1.91557
   A320       1.91436  -0.00007   0.00004  -0.00010  -0.00006   1.91430
   A321       1.91997   0.00003  -0.00006   0.00006   0.00000   1.91997
   A322       1.90750   0.00004  -0.00003  -0.00011  -0.00014   1.90736
   A323       1.91025  -0.00003   0.00003   0.00011   0.00014   1.91039
   A324       1.89603   0.00001   0.00006  -0.00002   0.00004   1.89607
   A325       2.93560  -0.00001   0.00011   0.00015   0.00026   2.93586
   A326       3.39193   0.00000   0.00062   0.00164   0.00226   3.39419
   A327       3.10662  -0.00001   0.00057   0.00153   0.00210   3.10872
   A328       3.21015   0.00001  -0.00032   0.00143   0.00110   3.21126
   A329       3.26150   0.00001  -0.00093  -0.00138  -0.00230   3.25920
   A330       3.26931  -0.00001   0.00015  -0.00199  -0.00184   3.26747
   A331       3.69645  -0.00001   0.00076   0.00054   0.00130   3.69775
   A332       3.27402   0.00001   0.00136   0.00118   0.00254   3.27656
   A333       2.93988   0.00000  -0.00078  -0.00016  -0.00093   2.93895
   A334       2.88333  -0.00001  -0.00065  -0.00013  -0.00078   2.88255
   A335       3.22817  -0.00001  -0.00021  -0.00019  -0.00040   3.22777
   A336       3.07877  -0.00001   0.00029   0.00048   0.00078   3.07955
   A337       3.10363   0.00000  -0.00003   0.00040   0.00037   3.10400
   A338       3.05350  -0.00002   0.00021  -0.00045  -0.00023   3.05327
    D1        2.75884   0.00001  -0.00002   0.00022   0.00020   2.75904
    D2       -1.35743   0.00001   0.00002   0.00025   0.00027  -1.35715
    D3        2.78522   0.00001   0.00029   0.00010   0.00039   2.78562
    D4       -1.33104   0.00000   0.00033   0.00014   0.00047  -1.33058
    D5        1.65598   0.00002  -0.00019   0.00022   0.00003   1.65601
    D6       -2.46029   0.00002  -0.00015   0.00025   0.00010  -2.46019
    D7        1.83283   0.00001  -0.00012  -0.00019  -0.00031   1.83252
    D8       -2.28343   0.00001  -0.00008  -0.00016  -0.00024  -2.28367
    D9        0.24569  -0.00001  -0.00119  -0.00117  -0.00236   0.24333
   D10        2.41261  -0.00001  -0.00115  -0.00113  -0.00229   2.41032
   D11       -0.02029   0.00000  -0.00100  -0.00098  -0.00197  -0.02227
   D12        2.14663  -0.00001  -0.00096  -0.00095  -0.00190   2.14472
   D13       -0.48880   0.00000  -0.00107  -0.00108  -0.00215  -0.49095
   D14        1.67812  -0.00001  -0.00103  -0.00105  -0.00208   1.67605
   D15       -0.59109   0.00000  -0.00061  -0.00079  -0.00140  -0.59249
   D16        1.57583   0.00000  -0.00057  -0.00076  -0.00133   1.57450
   D17        0.18213  -0.00001  -0.00068  -0.00074  -0.00142   0.18071
   D18        2.34905  -0.00001  -0.00064  -0.00071  -0.00135   2.34770
   D19        0.12557  -0.00002  -0.00055  -0.00071  -0.00127   0.12431
   D20        2.29249  -0.00002  -0.00052  -0.00068  -0.00119   2.29130
   D21        2.37772   0.00001  -0.00032  -0.00089  -0.00121   2.37652
   D22       -1.73854   0.00001  -0.00028  -0.00085  -0.00114  -1.73968
   D23        2.14010   0.00000  -0.00039  -0.00108  -0.00147   2.13863
   D24       -1.97617   0.00000  -0.00035  -0.00105  -0.00140  -1.97756
   D25        1.69104   0.00000  -0.00035  -0.00107  -0.00143   1.68961
   D26       -2.42523   0.00000  -0.00031  -0.00104  -0.00135  -2.42658
   D27        1.38256   0.00000  -0.00031  -0.00112  -0.00143   1.38113
   D28       -2.73370  -0.00001  -0.00028  -0.00108  -0.00136  -2.73506
   D29        2.36302   0.00001  -0.00048  -0.00114  -0.00162   2.36140
   D30       -1.75325   0.00000  -0.00044  -0.00111  -0.00155  -1.75479
   D31       -1.73925   0.00002   0.00025  -0.00018   0.00007  -1.73918
   D32        0.42767   0.00001   0.00029  -0.00015   0.00014   0.42781
   D33       -2.09302   0.00000   0.00002  -0.00012  -0.00011  -2.09313
   D34        0.07390  -0.00001   0.00006  -0.00009  -0.00004   0.07386
   D35       -2.46669  -0.00001   0.00018  -0.00039  -0.00021  -2.46690
   D36       -0.29977  -0.00002   0.00022  -0.00035  -0.00013  -0.29991
   D37       -2.75775  -0.00001   0.00010  -0.00059  -0.00049  -2.75824
   D38       -0.59083  -0.00001   0.00014  -0.00055  -0.00042  -0.59125
   D39       -2.12327   0.00000  -0.00033   0.00014  -0.00020  -2.12346
   D40        0.04365   0.00000  -0.00030   0.00017  -0.00013   0.04353
   D41       -2.36990  -0.00001  -0.00035   0.00006  -0.00029  -2.37020
   D42       -0.20298  -0.00001  -0.00032   0.00009  -0.00022  -0.20321
   D43        1.26265   0.00001  -0.00031   0.00000  -0.00031   1.26234
   D44       -1.96683   0.00001  -0.00135   0.00102  -0.00032  -1.96716
   D45        2.44773   0.00001  -0.00052  -0.00002  -0.00054   2.44719
   D46       -0.78175   0.00001  -0.00156   0.00100  -0.00056  -0.78231
   D47        2.92891   0.00001  -0.00055  -0.00024  -0.00079   2.92812
   D48       -0.30057   0.00002  -0.00158   0.00078  -0.00081  -0.30138
   D49        2.89131  -0.00002   0.00042  -0.00044  -0.00003   2.89128
   D50       -0.33817  -0.00002  -0.00062   0.00058  -0.00005  -0.33822
   D51        1.98785  -0.00001  -0.00140  -0.00180  -0.00321   1.98464
   D52       -1.24163  -0.00001  -0.00243  -0.00079  -0.00322  -1.24485
   D53        1.05439  -0.00002  -0.00239  -0.00254  -0.00493   1.04947
   D54       -2.17509  -0.00001  -0.00343  -0.00152  -0.00494  -2.18003
   D55        0.97273   0.00000  -0.00110  -0.00133  -0.00243   0.97030
   D56       -2.25675   0.00000  -0.00214  -0.00031  -0.00245  -2.25920
   D57        2.00516  -0.00002  -0.00071  -0.00103  -0.00174   2.00342
   D58       -1.22432  -0.00002  -0.00175  -0.00001  -0.00176  -1.22608
   D59        1.81607  -0.00003  -0.00065  -0.00095  -0.00159   1.81448
   D60       -1.41341  -0.00002  -0.00168   0.00007  -0.00161  -1.41502
   D61       -2.30258   0.00001  -0.00066  -0.00104  -0.00170  -2.30429
   D62        0.75112   0.00001  -0.00169  -0.00002  -0.00172   0.74940
   D63       -2.42410   0.00000  -0.00063  -0.00095  -0.00158  -2.42569
   D64        0.62960   0.00001  -0.00167   0.00007  -0.00160   0.62800
   D65       -2.82567   0.00000  -0.00059  -0.00093  -0.00153  -2.82720
   D66        0.22803   0.00001  -0.00163   0.00008  -0.00154   0.22649
   D67       -2.99210  -0.00001  -0.00042  -0.00087  -0.00129  -2.99339
   D68        0.06160   0.00000  -0.00145   0.00015  -0.00130   0.06030
   D69       -2.13755   0.00001  -0.00061  -0.00073  -0.00134  -2.13889
   D70        0.91615   0.00001  -0.00164   0.00029  -0.00135   0.91480
   D71       -0.15963   0.00002  -0.00052  -0.00123  -0.00174  -0.16137
   D72        2.89408   0.00002  -0.00155  -0.00021  -0.00176   2.89232
   D73       -0.55944  -0.00002  -0.00057  -0.00137  -0.00194  -0.56138
   D74        2.49426  -0.00001  -0.00160  -0.00035  -0.00195   2.49231
   D75       -0.72116  -0.00001  -0.00024  -0.00159  -0.00182  -0.72299
   D76        2.33254  -0.00001  -0.00127  -0.00057  -0.00184   2.33070
   D77       -1.05831  -0.00001  -0.00021  -0.00152  -0.00172  -1.06004
   D78        1.99539  -0.00001  -0.00124  -0.00050  -0.00174   1.99365
   D79       -0.84888   0.00000  -0.00078  -0.00137  -0.00215  -0.85103
   D80        2.20483   0.00000  -0.00182  -0.00035  -0.00216   2.20266
   D81       -1.15290   0.00000  -0.00073  -0.00148  -0.00221  -1.15511
   D82        1.90081   0.00000  -0.00177  -0.00046  -0.00222   1.89858
   D83       -1.52848   0.00002  -0.00016   0.00050   0.00034  -1.52814
   D84       -2.60963   0.00001  -0.00022   0.00045   0.00022  -2.60941
   D85       -2.94259   0.00002   0.00011   0.00028   0.00039  -2.94220
   D86        0.73095   0.00000  -0.00018  -0.00008  -0.00025   0.73070
   D87        0.29909   0.00000  -0.00036  -0.00022  -0.00057   0.29852
   D88       -0.10365   0.00000  -0.00083  -0.00055  -0.00138  -0.10503
   D89       -0.43204   0.00000  -0.00064  -0.00056  -0.00121  -0.43324
   D90        0.18818  -0.00001  -0.00013  -0.00018  -0.00031   0.18787
   D91       -0.04464  -0.00002  -0.00006  -0.00022  -0.00028  -0.04492
   D92        2.38970   0.00001  -0.00027  -0.00078  -0.00105   2.38865
   D93        2.04746   0.00000  -0.00032  -0.00073  -0.00105   2.04641
   D94        1.64756   0.00000  -0.00032  -0.00077  -0.00109   1.64647
   D95        1.36581   0.00000  -0.00025  -0.00068  -0.00092   1.36489
   D96        2.06204   0.00001  -0.00031  -0.00057  -0.00089   2.06116
   D97       -1.87097   0.00002   0.00024  -0.00046  -0.00022  -1.87119
   D98       -2.42152  -0.00003  -0.00020  -0.00123  -0.00144  -2.42296
   D99       -2.63761  -0.00001   0.00007  -0.00119  -0.00112  -2.63873
   D100      -2.96783  -0.00001   0.00006  -0.00124  -0.00118  -2.96901
   D101      -2.90663  -0.00001  -0.00077  -0.00260  -0.00338  -2.91000
   D102       2.83723   0.00000  -0.00069  -0.00304  -0.00372   2.83351
   D103      -2.83381   0.00001   0.00082   0.00076   0.00157  -2.83223
   D104       1.26330   0.00000   0.00083   0.00050   0.00134   1.26463
   D105       2.85287   0.00001   0.00039   0.00056   0.00095   2.85382
   D106       0.66679   0.00000   0.00041   0.00031   0.00072   0.66751
   D107       2.29825   0.00003  -0.00072   0.00013  -0.00058   2.29767
   D108       0.11217   0.00001  -0.00070  -0.00012  -0.00081   0.11135
   D109       1.68051   0.00003  -0.00181  -0.00106  -0.00286   1.67765
   D110      -0.50557   0.00001  -0.00179  -0.00132  -0.00310  -0.50867
   D111       2.61402   0.00000   0.00014   0.00000   0.00013   2.61415
   D112       0.42794  -0.00001   0.00016  -0.00026  -0.00010   0.42783
   D113       2.27034   0.00000  -0.00001  -0.00003  -0.00004   2.27030
   D114       0.08426  -0.00001   0.00001  -0.00029  -0.00028   0.08398
   D115      -1.60927   0.00002   0.00013   0.00048   0.00061  -1.60867
   D116       2.48783   0.00000   0.00015   0.00023   0.00037   2.48820
   D117      -1.77120   0.00000  -0.00015   0.00015   0.00000  -1.77120
   D118       2.32591  -0.00001  -0.00013  -0.00011  -0.00024   2.32567
   D119      -2.73538   0.00002   0.00001   0.00009   0.00010  -2.73528
   D120       1.36173   0.00001   0.00003  -0.00016  -0.00014   1.36159
   D121      -2.69187   0.00002   0.00007   0.00020   0.00027  -2.69160
   D122       1.40523   0.00001   0.00009  -0.00005   0.00004   1.40527
   D123       1.34474   0.00000   0.00001   0.00018   0.00019   1.34493
   D124      -0.84134  -0.00002   0.00003  -0.00008  -0.00005  -0.84139
   D125       1.32516   0.00000   0.00037   0.00048   0.00085   1.32601
   D126      -0.86092  -0.00001   0.00039   0.00022   0.00061  -0.86031
   D127       1.68788   0.00000   0.00052   0.00067   0.00119   1.68907
   D128      -0.49820  -0.00001   0.00054   0.00041   0.00095  -0.49725
   D129       1.81112   0.00001   0.00055   0.00077   0.00132   1.81244
   D130      -0.37496   0.00000   0.00057   0.00051   0.00108  -0.37388
   D131       0.93134   0.00000   0.00057   0.00041   0.00098   0.93232
   D132      -1.25474  -0.00001   0.00059   0.00016   0.00075  -1.25400
   D133      -0.93601  -0.00001   0.00029   0.00099   0.00128  -0.93473
   D134      -3.12209  -0.00002   0.00031   0.00074   0.00104  -3.12105
   D135      -0.51942   0.00002   0.00015   0.00084   0.00100  -0.51842
   D136      -2.70550   0.00001   0.00017   0.00059   0.00076  -2.70474
   D137      -0.25601   0.00002  -0.00046   0.00074   0.00028  -0.25573
   D138      -2.44210   0.00001  -0.00044   0.00049   0.00005  -2.44205
   D139       0.13980   0.00002  -0.00066   0.00030  -0.00036   0.13945
   D140      -2.04628   0.00000  -0.00064   0.00005  -0.00059  -2.04687
   D141      -0.29199   0.00001   0.00037   0.00070   0.00107  -0.29092
   D142      -2.47807   0.00000   0.00039   0.00044   0.00083  -2.47724
   D143      -0.03474   0.00001   0.00038   0.00068   0.00105  -0.03368
   D144      -2.22082   0.00000   0.00039   0.00042   0.00081  -2.22000
   D145      -2.41185   0.00000   0.00129   0.00098   0.00226  -2.40959
   D146      -2.63864  -0.00001   0.00170   0.00158   0.00328  -2.63537
   D147      -2.26914   0.00002   0.00272   0.00271   0.00543  -2.26371
   D148       3.07535   0.00000   0.00140   0.00109   0.00249   3.07785
   D149       2.68807  -0.00001   0.00131   0.00075   0.00205   2.69012
   D150       1.51553   0.00001   0.00042   0.00070   0.00112   1.51665
   D151       2.61709   0.00001   0.00033   0.00063   0.00096   2.61805
   D152       2.99653   0.00003   0.00037   0.00066   0.00103   2.99757
   D153       1.20282  -0.00002   0.00012   0.00032   0.00045   1.20327
   D154       1.27198  -0.00001   0.00066   0.00075   0.00142   1.27340
   D155       1.67036   0.00000   0.00087   0.00088   0.00175   1.67211
   D156       1.73919   0.00001   0.00084   0.00092   0.00177   1.74096
   D157       0.92365  -0.00001   0.00090   0.00086   0.00176   0.92541
   D158      -0.94215  -0.00001   0.00132   0.00196   0.00328  -0.93886
   D159      -0.61846   0.00002   0.00127   0.00222   0.00350  -0.61496
   D160      -0.67135   0.00001   0.00094   0.00240   0.00334  -0.66801
   D161      -0.38005   0.00001   0.00062   0.00220   0.00282  -0.37722
   D162      -0.23267   0.00001   0.00138   0.00232   0.00370  -0.22896
   D163       0.04313   0.00000   0.00133   0.00236   0.00369   0.04682
   D164      -1.23756   0.00000   0.00056   0.00058   0.00114  -1.23642
   D165       1.70746  -0.00001   0.00056   0.00023   0.00078   1.70825
   D166      -1.60788   0.00000   0.00060   0.00071   0.00131  -1.60657
   D167       1.33714  -0.00001   0.00060   0.00036   0.00096   1.33810
   D168      -1.68294   0.00002   0.00071   0.00108   0.00179  -1.68115
   D169       1.26208   0.00001   0.00071   0.00072   0.00143   1.26351
   D170      -1.94822   0.00003   0.00086   0.00100   0.00185  -1.94636
   D171       0.99681   0.00002   0.00086   0.00064   0.00150   0.99831
   D172      -1.96082   0.00000   0.00056   0.00045   0.00101  -1.95981
   D173       0.98421  -0.00001   0.00056   0.00009   0.00065   0.98486
   D174      -2.26568   0.00000   0.00056   0.00039   0.00096  -2.26473
   D175       0.67934  -0.00001   0.00056   0.00003   0.00060   0.67994
   D176       1.97253   0.00001  -0.00004   0.00011   0.00006   1.97260
   D177      -1.36563   0.00000  -0.00004  -0.00025  -0.00029  -1.36592
   D178       0.82778   0.00001  -0.00005   0.00035   0.00030   0.82807
   D179      -2.51039   0.00000  -0.00005   0.00000  -0.00006  -2.51044
   D180       0.36360  -0.00001  -0.00020   0.00019  -0.00001   0.36359
   D181      -2.97457  -0.00001  -0.00020  -0.00016  -0.00036  -2.97493
   D182      -3.08654  -0.00001   0.00014   0.00000   0.00014  -3.08640
   D183      -0.14152  -0.00002   0.00014  -0.00036  -0.00021  -0.14173
   D184       2.93629  -0.00001   0.00037   0.00029   0.00066   2.93696
   D185      -0.40187  -0.00002   0.00037  -0.00006   0.00031  -0.40156
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   D188       2.99625   0.00001   0.00065   0.00049   0.00114   2.99739
   D189      -0.34191   0.00000   0.00065   0.00014   0.00079  -0.34113
   D190       2.49178  -0.00001   0.00041   0.00022   0.00063   2.49241
   D191      -0.84639  -0.00002   0.00041  -0.00013   0.00028  -0.84611
   D192       0.40426  -0.00001   0.00133   0.00202   0.00335   0.40760
   D193      -2.93391  -0.00002   0.00133   0.00166   0.00299  -2.93091
   D194       0.71021   0.00002   0.00122   0.00246   0.00368   0.71389
   D195      -2.62796   0.00001   0.00122   0.00210   0.00332  -2.62463
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   D197      -2.79616  -0.00001   0.00154   0.00375   0.00529  -2.79087
   D198       1.15474   0.00000   0.00093   0.00186   0.00279   1.15753
   D199      -2.18343  -0.00001   0.00093   0.00151   0.00244  -2.18099
   D200       1.47560   0.00000   0.00072   0.00151   0.00223   1.47783
   D201      -1.86256  -0.00001   0.00072   0.00115   0.00187  -1.86069
   D202       1.59638  -0.00001  -0.00002  -0.00017  -0.00019   1.59619
   D203      -0.61770   0.00000   0.00005  -0.00026  -0.00021  -0.61790
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   D205      -0.55429   0.00000  -0.00002  -0.00073  -0.00075  -0.55503
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   D208       1.15439   0.00000  -0.00061  -0.00101  -0.00162   1.15277
   D209      -1.05968   0.00001  -0.00054  -0.00110  -0.00164  -1.06132
   D210       2.08848  -0.00002  -0.00012  -0.00079  -0.00091   2.08756
   D211      -0.12559  -0.00001  -0.00005  -0.00088  -0.00093  -0.12653
   D212       2.20301  -0.00002  -0.00024  -0.00084  -0.00108   2.20192
   D213      -0.01107  -0.00001  -0.00017  -0.00093  -0.00110  -0.01217
   D214      -2.19409  -0.00001   0.00085   0.00016   0.00101  -2.19308
   D215       1.87502   0.00000   0.00092   0.00006   0.00099   1.87601
   D216      -2.36973   0.00000   0.00084   0.00024   0.00108  -2.36865
   D217       1.69939   0.00001   0.00091   0.00015   0.00106   1.70045
   D218      -1.98451   0.00001   0.00107   0.00039   0.00146  -1.98305
   D219       2.08460   0.00002   0.00115   0.00030   0.00144   2.08604
   D220      -2.12460   0.00001   0.00048   0.00001   0.00049  -2.12411
   D221       1.94451   0.00002   0.00055  -0.00008   0.00047   1.94499
   D222      -2.86664  -0.00001   0.00074   0.00018   0.00092  -2.86572
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   D224       3.07783  -0.00003   0.00065   0.00018   0.00082   3.07865
   D225       0.86375  -0.00002   0.00072   0.00008   0.00081   0.86456
   D226      -2.70897  -0.00003  -0.00004  -0.00061  -0.00065  -2.70962
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   D228      -2.64294  -0.00003   0.00017  -0.00040  -0.00023  -2.64317
   D229       1.42617  -0.00002   0.00025  -0.00050  -0.00025   1.42592
   D230      -1.56004  -0.00002  -0.00018  -0.00042  -0.00059  -1.56063
   D231       2.50907  -0.00001  -0.00010  -0.00051  -0.00061   2.50846
   D232      -0.12024  -0.00001  -0.00090  -0.00233  -0.00322  -0.12346
   D233      -2.33431   0.00000  -0.00082  -0.00242  -0.00324  -2.33755
   D234      -0.24375  -0.00004  -0.00052  -0.00216  -0.00269  -0.24644
   D235      -2.45782  -0.00003  -0.00045  -0.00225  -0.00270  -2.46053
   D236       0.04470  -0.00001  -0.00029  -0.00196  -0.00226   0.04244
   D237      -2.16937   0.00000  -0.00022  -0.00205  -0.00227  -2.17165
   D238      -0.05164  -0.00002  -0.00014  -0.00170  -0.00184  -0.05349
   D239      -2.26572  -0.00001  -0.00006  -0.00179  -0.00186  -2.26758
   D240      -0.63057  -0.00002  -0.00035  -0.00214  -0.00249  -0.63307
   D241      -2.84465  -0.00001  -0.00028  -0.00223  -0.00251  -2.84716
   D242      -0.81264  -0.00002  -0.00034  -0.00215  -0.00249  -0.81513
   D243      -3.02672  -0.00001  -0.00027  -0.00224  -0.00251  -3.02923
   D244      -2.94013   0.00001  -0.00051   0.00036  -0.00015  -2.94028
   D245      -0.04005   0.00001  -0.00026   0.00047   0.00021  -0.03984
   D246      -3.13752   0.00001  -0.00056  -0.00013  -0.00069  -3.13821
   D247      -0.23744   0.00001  -0.00032  -0.00002  -0.00033  -0.23777
   D248       2.75489   0.00001  -0.00066  -0.00018  -0.00085   2.75405
   D249      -0.62821   0.00001  -0.00042  -0.00007  -0.00049  -0.62870
   D250       2.51553   0.00001  -0.00081  -0.00032  -0.00112   2.51440
   D251      -0.86758   0.00001  -0.00056  -0.00020  -0.00076  -0.86834
   D252      -2.91540   0.00000  -0.00063  -0.00055  -0.00118  -2.91658
   D253      -0.01532   0.00000  -0.00038  -0.00044  -0.00082  -0.01614
   D254      -3.08908   0.00000  -0.00073  -0.00058  -0.00131  -3.09039
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   D256      -0.62254   0.00000   0.00029   0.00051   0.00080  -0.62174
   D257       2.27754   0.00000   0.00054   0.00062   0.00116   2.27870
   D258      -0.88091   0.00001   0.00015   0.00040   0.00056  -0.88035
   D259       2.01918   0.00001   0.00040   0.00051   0.00091   2.02009
   D260      -0.73083   0.00001  -0.00001   0.00038   0.00037  -0.73046
   D261       2.16926   0.00001   0.00024   0.00049   0.00073   2.16998
   D262      -0.94786   0.00000  -0.00048   0.00000  -0.00047  -0.94833
   D263       1.95223   0.00000  -0.00023   0.00012  -0.00011   1.95212
   D264      -1.28970   0.00001   0.00017   0.00028   0.00045  -1.28926
   D265       1.61038   0.00001   0.00042   0.00039   0.00081   1.61118
   D266      -1.53324   0.00000   0.00006   0.00019   0.00025  -1.53299
   D267       1.36685   0.00000   0.00031   0.00030   0.00061   1.36746
   D268       1.98352  -0.00001  -0.00049  -0.00036  -0.00085   1.98267
   D269      -1.39958  -0.00001  -0.00025  -0.00024  -0.00049  -1.40007
   D270       0.86749   0.00000  -0.00057  -0.00035  -0.00091   0.86657
   D271      -2.51562   0.00000  -0.00032  -0.00023  -0.00055  -2.51617
   D272       0.83406  -0.00001  -0.00224  -0.00292  -0.00516   0.82890
   D273      -2.54904  -0.00001  -0.00199  -0.00281  -0.00480  -2.55384
   D274       1.06097  -0.00001  -0.00121  -0.00218  -0.00339   1.05759
   D275      -2.32213  -0.00001  -0.00096  -0.00207  -0.00303  -2.32516
   D276       1.53978   0.00001  -0.00093  -0.00189  -0.00282   1.53696
   D277      -1.84332   0.00002  -0.00068  -0.00178  -0.00246  -1.84578
   D278       1.53995   0.00001  -0.00071  -0.00133  -0.00205   1.53790
   D279      -1.84315   0.00001  -0.00047  -0.00122  -0.00169  -1.84484
   D280       0.77280   0.00000  -0.00074  -0.00168  -0.00242   0.77038
   D281      -2.61030   0.00000  -0.00049  -0.00157  -0.00206  -2.61236
   D282       0.75825   0.00001  -0.00074  -0.00161  -0.00235   0.75590
   D283      -2.62486   0.00001  -0.00049  -0.00150  -0.00199  -2.62685
   D284       1.54692   0.00000   0.00012   0.00121   0.00134   1.54826
   D285      -2.67392   0.00000   0.00007   0.00178   0.00184  -2.67207
   D286       1.60979   0.00000  -0.00002   0.00061   0.00059   1.61038
   D287      -2.61105   0.00001  -0.00008   0.00118   0.00110  -2.60995
   D288       1.29451  -0.00001  -0.00017   0.00031   0.00014   1.29465
   D289      -2.92633   0.00000  -0.00023   0.00088   0.00065  -2.92568
   D290       1.20326   0.00000  -0.00049   0.00019  -0.00029   1.20297
   D291      -3.01758   0.00000  -0.00054   0.00076   0.00022  -3.01736
   D292       2.00806  -0.00001  -0.00008   0.00046   0.00037   2.00843
   D293      -2.21278  -0.00001  -0.00014   0.00102   0.00088  -2.21189
   D294       1.99400  -0.00001  -0.00020   0.00048   0.00028   1.99429
   D295      -2.22684   0.00000  -0.00025   0.00104   0.00079  -2.22604
   D296      -2.26772   0.00000   0.00094   0.00121   0.00216  -2.26556
   D297      -0.20537   0.00000   0.00089   0.00178   0.00267  -0.20270
   D298      -2.25576   0.00001   0.00074   0.00115   0.00190  -2.25387
   D299      -0.19342   0.00001   0.00069   0.00171   0.00241  -0.19101
   D300      -1.87175   0.00001   0.00070   0.00120   0.00190  -1.86986
   D301       0.19059   0.00001   0.00064   0.00176   0.00241   0.19300
   D302      -1.81994   0.00000   0.00026   0.00084   0.00110  -1.81884
   D303       0.24241   0.00001   0.00020   0.00140   0.00161   0.24402
   D304      -2.61039   0.00001   0.00063   0.00104   0.00168  -2.60871
   D305      -0.54804   0.00001   0.00058   0.00161   0.00219  -0.54586
   D306      -2.73977   0.00001   0.00056   0.00110   0.00166  -2.73812
   D307      -0.67743   0.00002   0.00051   0.00166   0.00217  -0.67526
   D308       1.52438  -0.00001  -0.00011   0.00082   0.00071   1.52509
   D309      -2.69646  -0.00001  -0.00017   0.00139   0.00122  -2.69524
   D310       2.62808  -0.00001  -0.00004   0.00068   0.00064   2.62872
   D311      -1.59276  -0.00001  -0.00009   0.00124   0.00115  -1.59161
   D312       3.01919  -0.00001   0.00015   0.00076   0.00091   3.02010
   D313      -1.20165  -0.00001   0.00009   0.00133   0.00142  -1.20023
   D314      -0.53068  -0.00001  -0.00090  -0.00066  -0.00157  -0.53225
   D315       1.53166  -0.00001  -0.00096  -0.00010  -0.00106   1.53061
   D316      -0.36479  -0.00001  -0.00053  -0.00065  -0.00117  -0.36596
   D317       1.69756  -0.00001  -0.00058  -0.00008  -0.00067   1.69689
   D318       0.06373   0.00001  -0.00050  -0.00048  -0.00098   0.06275
   D319       2.12608   0.00001  -0.00055   0.00008  -0.00047   2.12561
   D320       0.20229   0.00001  -0.00038  -0.00011  -0.00049   0.20180
   D321       2.26464   0.00001  -0.00043   0.00045   0.00002   2.26466
   D322      -0.60697  -0.00001  -0.00022  -0.00071  -0.00093  -0.60789
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   D326       0.10308   0.00000   0.00075  -0.00081  -0.00006   0.10303
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   D330       0.78019   0.00000   0.00084  -0.00056   0.00028   0.78046
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   D389       2.09085   0.00000  -0.00164   0.00605   0.00441   2.09526
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   D391       2.64831   0.00002  -0.00208   0.00645   0.00437   2.65269
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   D393      -0.64729   0.00001  -0.00060   0.00943   0.00883  -0.63845
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   D397      -0.36674  -0.00001  -0.00033   0.01035   0.01001  -0.35673
   D398       2.33056  -0.00002   0.00105   0.00250   0.00355   2.33411
   D399      -0.13170  -0.00002   0.00007   0.01092   0.01099  -0.12071
   D400       2.51594   0.00001   0.00041   0.00115   0.00157   2.51751
   D401       0.05368   0.00001  -0.00057   0.00958   0.00901   0.06269
   D402      -1.53456   0.00001  -0.00029   0.00062   0.00033  -1.53423
   D403       2.28636   0.00001  -0.00128   0.00905   0.00777   2.29413
   D404      -2.63037   0.00001  -0.00026   0.00074   0.00048  -2.62988
   D405       1.19056   0.00001  -0.00125   0.00917   0.00792   1.19848
   D406      -2.97961   0.00000  -0.00003   0.00092   0.00089  -2.97872
   D407       0.84131   0.00000  -0.00101   0.00935   0.00834   0.84965
   D408       1.92491   0.00000   0.00046  -0.00082  -0.00036   1.92454
   D409       2.42663   0.00001   0.00057  -0.00003   0.00054   2.42717
   D410       2.66123   0.00000   0.00048  -0.00031   0.00017   2.66140
   D411       2.89190  -0.00001   0.00021  -0.00036  -0.00014   2.89175
   D412       2.86427   0.00001   0.00088   0.00185   0.00274   2.86701
   D413      -2.91359   0.00001   0.00065   0.00179   0.00243  -2.91115
   D414      -0.71221   0.00001   0.00060  -0.00015   0.00045  -0.71176
   D415      -0.33630   0.00000   0.00053  -0.00031   0.00022  -0.33608
   D416      -0.01018   0.00000   0.00082   0.00015   0.00097  -0.00920
   D417       0.29529   0.00001   0.00073   0.00007   0.00081   0.29610
   D418      -0.22420   0.00001   0.00013  -0.00094  -0.00081  -0.22501
   D419       0.07094   0.00002  -0.00015  -0.00143  -0.00158   0.06937
   D420      -2.52819   0.00000   0.00043   0.00032   0.00074  -2.52745
   D421      -2.14690   0.00000   0.00048   0.00025   0.00072  -2.14617
   D422      -1.88484   0.00000   0.00053   0.00069   0.00122  -1.88363
   D423      -1.56668   0.00000   0.00054   0.00061   0.00115  -1.56553
   D424      -1.95034   0.00000   0.00041  -0.00027   0.00014  -1.95020
   D425       1.30263  -0.00001  -0.00058  -0.00018  -0.00076   1.30188
   D426       2.47272   0.00002  -0.00036  -0.00002  -0.00038   2.47234
   D427       2.94937   0.00001  -0.00027  -0.00009  -0.00036   2.94901
   D428      -3.05964   0.00008   0.00007   0.00014   0.00021  -3.05943
   D429       0.02399   0.00006  -0.00036   0.00195   0.00159   0.02558
   D430       0.05303   0.00002   0.00005   0.00019   0.00024   0.05327
   D431       3.13666   0.00000  -0.00038   0.00200   0.00161   3.13828
   D432      -0.11229   0.00000  -0.00131   0.00123  -0.00008  -0.11236
   D433       1.98682  -0.00001  -0.00130   0.00138   0.00008   1.98690
   D434      -2.20891  -0.00001  -0.00126   0.00116  -0.00010  -2.20901
   D435       3.08438   0.00003  -0.00090  -0.00049  -0.00139   3.08299
   D436      -1.09970   0.00001  -0.00089  -0.00034  -0.00123  -1.10093
   D437       0.98776   0.00001  -0.00085  -0.00056  -0.00141   0.98635
   D438      -2.36679   0.00003  -0.00053   0.00021  -0.00032  -2.36711
   D439      -0.27728   0.00004  -0.00059   0.00035  -0.00024  -0.27752
   D440       1.83059   0.00003  -0.00057   0.00024  -0.00034   1.83025
   D441       0.71963   0.00001  -0.00095   0.00194   0.00099   0.72062
   D442       2.80914   0.00002  -0.00100   0.00207   0.00107   2.81021
   D443      -1.36617   0.00000  -0.00099   0.00196   0.00097  -1.36520
   D444       0.00262  -0.00001   0.00038   0.00011   0.00049   0.00311
   D445       3.11092  -0.00001   0.00007   0.00073   0.00080   3.11172
   D446      -3.11666   0.00003   0.00039   0.00013   0.00052  -3.11615
   D447      -0.00837   0.00003   0.00008   0.00074   0.00082  -0.00754
   D448       2.42742   0.00001   0.00086   0.00228   0.00313   2.43055
   D449      -1.77211   0.00000   0.00088   0.00243   0.00331  -1.76880
   D450       0.33526   0.00000   0.00092   0.00257   0.00349   0.33874
   D451      -0.68246   0.00001   0.00115   0.00170   0.00285  -0.67961
   D452       1.40120   0.00000   0.00118   0.00185   0.00303   1.40422
   D453      -2.77462   0.00000   0.00122   0.00199   0.00321  -2.77142
   D454       2.04294   0.00003  -0.00011  -0.00140  -0.00152   2.04142
   D455      -2.15562   0.00000  -0.00011  -0.00121  -0.00133  -2.15695
   D456      -0.06305   0.00003  -0.00010  -0.00144  -0.00154  -0.06459
   D457      -1.13036   0.00003  -0.00041  -0.00083  -0.00124  -1.13160
   D458       0.95426   0.00000  -0.00041  -0.00064  -0.00105   0.95321
   D459       3.04683   0.00003  -0.00040  -0.00086  -0.00126   3.04557
   D460      -3.08114   0.00000  -0.00054  -0.00119  -0.00172  -3.08286
   D461      -0.01917  -0.00001  -0.00019  -0.00092  -0.00111  -0.02028
   D462       0.07480  -0.00003  -0.00053  -0.00125  -0.00178   0.07302
   D463       3.13677  -0.00003  -0.00018  -0.00099  -0.00117   3.13560
   D464       1.91724  -0.00002  -0.00017  -0.00118  -0.00135   1.91589
   D465      -2.28436   0.00000  -0.00019  -0.00101  -0.00120  -2.28557
   D466      -0.19051  -0.00003  -0.00021  -0.00128  -0.00149  -0.19200
   D467      -1.14796  -0.00001  -0.00051  -0.00142  -0.00193  -1.14989
   D468       0.93362   0.00000  -0.00053  -0.00126  -0.00179   0.93184
   D469       3.02747  -0.00002  -0.00055  -0.00153  -0.00207   3.02540
   D470      -1.63999   0.00001  -0.00061   0.00200   0.00139  -1.63860
   D471       0.46509   0.00003  -0.00061   0.00194   0.00132   0.46642
   D472       2.55546   0.00002  -0.00061   0.00189   0.00128   2.55674
   D473       1.42565   0.00000  -0.00027   0.00225   0.00198   1.42763
   D474      -2.75245   0.00002  -0.00027   0.00219   0.00191  -2.75054
   D475      -0.66208   0.00001  -0.00027   0.00215   0.00187  -0.66021
   D476       0.01287   0.00000   0.00035  -0.00028   0.00007   0.01293
   D477      -3.02627  -0.00001   0.00059   0.00120   0.00179  -3.02448
   D478       3.12447   0.00004   0.00018   0.00011   0.00029   3.12475
   D479       0.08533   0.00003   0.00042   0.00159   0.00201   0.08734
   D480      -0.28594   0.00000   0.00020   0.00204   0.00224  -0.28369
   D481       1.82163   0.00003   0.00007   0.00224   0.00231   1.82394
   D482      -2.37853   0.00000   0.00008   0.00223   0.00231  -2.37622
   D483       2.75842   0.00000  -0.00003   0.00063   0.00060   2.75903
   D484      -1.41720   0.00004  -0.00016   0.00083   0.00067  -1.41653
   D485       0.66583   0.00001  -0.00015   0.00082   0.00067   0.66650
   D486      -0.10221   0.00000  -0.00127  -0.00087  -0.00214  -0.10435
   D487       1.99368   0.00001  -0.00130  -0.00103  -0.00233   1.99134
   D488      -2.20500  -0.00001  -0.00124  -0.00108  -0.00233  -2.20733
   D489       3.13652   0.00000  -0.00104   0.00054  -0.00050   3.13602
   D490      -1.05078   0.00001  -0.00108   0.00038  -0.00070  -1.05148
   D491       1.03373   0.00000  -0.00102   0.00033  -0.00069   1.03304
         Item               Value     Threshold  Converged?
 Maximum Force            0.000197     0.000450     YES
 RMS     Force            0.000018     0.000300     YES
 Maximum Displacement     0.016930     0.001800     NO 
 RMS     Displacement     0.001681     0.001200     NO 
 Predicted change in Energy=-1.768815D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:28:35 2016, MaxMem=  2952790016 cpu:        13.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.787452   -0.579318    1.636464
      2          6           0       -2.050435    1.134524   -1.389561
      3          8           0       -2.583901    0.157643   -1.943527
      4          7           0       -0.761095    1.191564   -0.957475
      5          1           0       -2.612533    2.064171   -1.169090
      6          6           0       -0.248254    2.349503   -0.224184
      7          1           0       -1.009844    3.141447   -0.205581
      8          1           0        0.002905    2.059326    0.809038
      9          1           0        0.661673    2.730049   -0.715865
     10          6           0        0.164318    0.070387   -1.140433
     11          1           0        0.727027   -0.090221   -0.207700
     12          1           0       -0.404767   -0.836256   -1.384171
     13          1           0        0.878422    0.288780   -1.951541
     14          6           0       -2.077325   -3.941811    2.703508
     15          8           0       -2.230857   -3.743143    3.920672
     16          7           0       -2.981850   -3.639976    1.732544
     17          1           0       -1.145188   -4.378273    2.292475
     18          6           0       -4.273032   -3.023194    2.049143
     19          1           0       -4.496723   -2.255504    1.292130
     20          1           0       -5.077554   -3.777393    2.036110
     21          1           0       -4.220622   -2.559109    3.042184
     22          6           0       -2.696676   -3.877833    0.317012
     23          1           0       -3.401827   -4.617228   -0.096998
     24          1           0       -2.806435   -2.935631   -0.244975
     25          1           0       -1.668530   -4.249018    0.204182
     26          6           0        1.606632    0.359116    2.570667
     27          8           0        1.463388    1.384680    3.257462
     28          7           0        1.207072   -0.891899    2.928135
     29          1           0        2.076508    0.383251    1.567665
     30          6           0        1.481289   -2.057690    2.086579
     31          1           0        2.236000   -2.705683    2.563296
     32          1           0        0.557333   -2.643027    1.951067
     33          1           0        1.847447   -1.725184    1.105425
     34          6           0        0.568060   -1.143316    4.222262
     35          1           0        1.314197   -1.452535    4.974134
     36          1           0        0.065448   -0.229070    4.562755
     37          1           0       -0.170835   -1.948875    4.105024
     38          6           0       -4.606196    0.989144    2.893848
     39          8           0       -4.855255    1.548746    1.811863
     40          7           0       -3.551961    1.276879    3.705156
     41          1           0       -5.229892    0.160404    3.284523
     42          6           0       -2.584236    2.325586    3.370449
     43          1           0       -2.678602    2.587370    2.308604
     44          1           0       -2.758298    3.222002    3.988077
     45          1           0       -1.567762    1.952453    3.569268
     46          6           0       -3.252074    0.472117    4.890194
     47          1           0       -4.045080   -0.272535    5.043749
     48          1           0       -2.287197   -0.045910    4.753281
     49          1           0       -3.180663    1.120621    5.778052
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.487583   0.000000
     3  O    3.740825   1.243286   0.000000
     4  N    3.304232   1.361011   2.316013   0.000000
     5  H    3.942072   1.108516   2.058014   2.057681   0.000000
     6  C    3.795936   2.466198   3.635332   1.463401   2.562046
     7  H    4.223966   2.551936   3.794891   2.104581   2.158121
     8  H    3.294306   3.147269   4.229016   2.111225   3.279258
     9  H    4.741685   3.217934   4.319511   2.109403   3.371830
    10  C    3.455818   2.469733   2.864486   1.465230   3.418610
    11  H    3.156384   3.257467   3.746569   2.102295   4.088808
    12  H    3.331977   2.567533   2.459541   2.102640   3.651434
    13  H    4.553488   3.099888   3.464815   2.119246   3.993872
    14  C    3.539629   6.520974   6.217481   6.441025   7.166261
    15  O    3.927341   7.212680   7.051922   7.092803   7.731511
    16  N    3.286860   5.780218   5.300355   5.959172   6.410395
    17  H    3.908314   6.690873   6.370882   6.460092   7.459265
    18  C    3.510121   5.835344   5.377016   6.256009   6.244644
    19  H    3.204421   4.966697   4.466726   5.558590   5.316707
    20  H    4.605668   6.710112   6.127016   7.230761   7.104471
    21  H    3.437432   6.163846   5.909053   6.483298   6.457206
    22  C    3.667130   5.334204   4.626858   5.574009   6.125601
    23  H    4.681433   6.048109   5.184406   6.438630   6.812742
    24  H    3.182822   4.295087   3.535950   4.660989   5.088184
    25  H    3.941101   5.627468   4.986905   5.636739   6.529424
    26  C    3.643240   5.445989   6.162719   4.329767   5.890191
    27  O    4.129513   5.831324   6.703465   4.769833   6.055510
    28  N    3.276171   5.775832   6.261478   4.828298   6.333640
    29  H    3.982644   5.132373   5.839416   3.883515   5.683523
    30  C    3.615641   5.894646   6.138015   4.985198   6.659468
    31  H    4.644202   6.981819   7.193159   6.047061   7.758254
    32  H    3.139408   5.677159   5.734018   4.990186   6.476199
    33  H    3.848052   5.440254   5.698947   4.423513   6.278858
    34  C    3.543005   6.598304   7.045871   5.835065   7.033550
    35  H    4.639265   7.649198   8.101967   6.817777   8.094791
    36  H    3.481249   6.462694   7.035645   5.759715   6.729383
    37  H    3.253141   6.575006   6.844360   5.986623   7.062770
    38  C    3.462139   4.990055   5.308603   5.445959   4.651650
    39  O    3.737758   4.276413   4.604038   4.955699   3.765839
    40  N    3.292179   5.313284   5.839301   5.434734   5.025995
    41  H    3.887632   5.736281   5.859504   6.247239   5.505413
    42  C    3.475635   4.935713   5.739191   4.831229   4.547148
    43  H    3.357652   4.022658   4.898280   4.036381   3.517450
    44  H    4.574129   5.811852   6.678670   5.707011   5.287551
    45  H    3.192782   5.048956   5.885982   4.660586   4.853459
    46  C    3.719865   6.427911   6.873506   6.396703   6.297506
    47  H    4.098852   6.880835   7.151371   6.995915   6.790564
    48  H    3.201378   6.259711   6.706467   6.039293   6.295457
    49  H    4.688666   7.256189   7.804244   7.157281   7.033907
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098882   0.000000
     8  H    1.102193   1.796134   0.000000
     9  H    1.102059   1.795440   1.791417   0.000000
    10  C    2.490802   3.418188   2.789689   2.738872   0.000000
    11  H    2.627489   3.668842   2.485691   2.866431   1.101103
    12  H    3.393983   4.192530   3.655237   3.781859   1.097847
    13  H    2.915431   3.840785   3.394430   2.744753   1.102514
    14  C    7.176176   7.731420   6.627973   7.981725   5.991542
    15  O    7.630916   8.118769   6.952741   8.471507   6.774560
    16  N    6.868419   7.323444   6.499513   7.736096   5.649705
    17  H    7.238855   7.924947   6.705325   7.927364   5.769770
    18  C    7.087505   7.330415   6.756739   8.068234   6.279627
    19  H    6.446300   6.597616   6.252822   7.449620   5.749124
    20  H    8.122187   8.333174   7.834798   9.102686   7.236923
    21  H    7.109384   7.304342   6.644928   8.120033   6.605773
    22  C    6.713223   7.238010   6.540618   7.483946   5.088995
    23  H    7.648302   8.119754   7.549137   8.418878   5.981628
    24  H    5.871743   6.337205   5.826915   6.659538   4.320111
    25  H    6.763221   7.431066   6.553988   7.415100   4.881043
    26  C    3.900440   4.721743   2.926771   4.161197   3.991979
    27  O    3.997806   4.603886   2.929665   4.270842   4.770369
    28  N    4.749923   5.568013   3.827574   5.166692   4.308895
    29  H    3.532901   4.503067   2.772106   3.567034   3.329887
    30  C    5.268234   6.204092   4.557143   5.607843   4.083716
    31  H    6.284621   7.238170   5.547022   6.540534   5.071099
    32  H    5.505092   6.369247   4.870702   5.999446   4.132124
    33  H    4.771048   5.793699   4.220509   4.957042   3.331798
    34  C    5.712883   6.360406   4.714490   6.276688   5.513128
    35  H    6.627160   7.303101   5.603631   7.091960   6.405423
    36  H    5.446305   5.937480   4.396711   6.080765   5.711900
    37  H    6.101154   6.722844   5.192243   6.769518   5.630681
    38  C    5.528505   5.212737   5.170642   6.619005   6.314851
    39  O    5.100113   4.625361   4.986789   6.182344   6.008136
    40  N    5.244494   5.023230   4.651537   6.277885   6.224635
    41  H    6.474558   6.235083   6.092299   7.570781   6.977524
    42  C    4.287047   3.991532   3.650346   5.234260   5.743564
    43  H    3.518264   3.068042   3.117372   4.508348   5.129644
    44  H    4.980434   4.544265   4.368335   5.836548   6.691485
    45  H    4.035966   3.996806   3.177623   4.892586   5.359435
    46  C    6.221284   6.174127   5.456186   7.200248   6.942736
    47  H    7.003005   6.958692   6.305278   8.021358   7.488706
    48  H    5.888162   6.031682   5.023310   6.805391   6.384302
    49  H    6.792350   6.678328   5.975565   7.715230   7.756115
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.794885   0.000000
    13  H    1.790962   1.798385   0.000000
    14  C    5.583392   5.399171   6.950095   0.000000
    15  O    6.255907   6.318700   7.772188   1.242791   0.000000
    16  N    5.488267   4.920987   6.626410   1.360898   2.315716
    17  H    5.305040   5.158666   6.624806   1.108299   2.057448
    18  C    6.220632   5.615499   7.315199   2.468437   2.862067
    19  H    5.850257   5.091263   6.773992   3.269419   3.775771
    20  H    7.233470   6.494887   8.240678   3.077958   3.414151
    21  H    6.413765   6.092749   7.684271   2.572992   2.476458
    22  C    5.132550   4.171098   5.940397   2.466384   3.636137
    23  H    6.128089   4.993489   6.769695   3.170698   4.275146
    24  H    4.536860   3.387204   5.185303   3.199617   4.282054
    25  H    4.817046   3.970757   5.632559   2.551101   3.792680
    26  C    2.948716   4.595148   4.581004   5.664553   5.777315
    27  O    3.837304   5.474240   5.355081   6.419892   6.354672
    28  N    3.272092   4.604031   5.031228   4.487726   4.575378
    29  H    2.279735   4.044411   3.718756   6.103329   6.412267
    30  C    3.115053   4.134636   4.709117   4.073604   4.470423
    31  H    4.098299   5.104009   5.585122   4.489148   4.782427
    32  H    3.347519   3.913294   4.891721   3.032232   3.586587
    33  H    2.377549   3.472859   3.786833   4.782378   5.350733
    34  C    4.556187   5.698488   6.345318   4.139595   3.831970
    35  H    5.389997   6.615337   7.154513   4.780655   4.350181
    36  H    4.818112   5.996308   6.585222   4.672550   4.246645
    37  H    4.781248   5.605703   6.541408   3.093662   2.738079
    38  C    6.263219   6.267818   7.351826   5.544884   5.393621
    39  O    6.158467   5.975760   6.973218   6.217567   6.272051
    40  N    5.957277   6.345976   7.252782   5.514759   5.195419
    41  H    6.909655   6.787627   8.046388   5.206191   4.963525
    42  C    5.440932   6.111771   6.667995   6.323135   6.103859
    43  H    5.009949   5.525226   6.007060   6.568690   6.547872
    44  H    6.381446   7.132294   7.557022   7.309860   6.985412
    45  H    4.868681   5.802241   6.263462   5.979259   5.744823
    46  C    6.491378   7.013320   7.993994   5.064029   4.444240
    47  H    7.098166   7.408631   8.572632   4.776230   4.074043
    48  H    5.805070   6.468115   7.422116   4.407228   3.790243
    49  H    7.250201   7.926690   8.770105   6.024815   5.292277
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057166   0.000000
    18  C    1.465539   3.417434   0.000000
    19  H    2.098943   4.091408   1.101115   0.000000
    20  H    2.122030   3.986261   1.102833   1.790815   0.000000
    21  H    2.101901   3.650988   1.097384   1.797525   1.797424
    22  C    1.463431   2.561252   2.493107   2.612082   2.938361
    23  H    2.116276   3.295315   2.811737   2.950629   2.839636
    24  H    2.106526   3.358513   2.724253   2.383766   3.327145
    25  H    2.105144   2.156748   3.419058   3.627176   3.898696
    26  C    6.144051   5.485687   6.803122   6.761792   7.878756
    27  O    6.879875   6.399022   7.334569   7.255093   8.421556
    28  N    5.150576   4.253469   5.945300   6.088448   6.972683
    29  H    6.465332   5.794548   7.221658   7.088463   8.289210
    30  C    4.748535   3.510824   5.834880   6.033814   6.780734
    31  H    5.365540   3.781975   6.537023   6.866446   7.410436
    32  H    3.683406   2.454836   4.846295   5.111541   5.748562
    33  H    5.232764   4.171790   6.327377   6.369033   7.282402
    34  C    5.003386   4.138145   5.629615   5.956061   6.602316
    35  H    5.809374   4.669027   6.499206   6.925944   7.408875
    36  H    5.378699   4.882181   5.740017   5.967983   6.739807
    37  H    4.048492   3.183814   4.712625   5.169110   5.630255
    38  C    5.041417   6.414779   4.113804   3.620114   4.865981
    39  O    5.517134   7.008933   4.614968   3.856292   5.335491
    40  N    5.328385   6.306264   4.664006   4.380981   5.537040
    41  H    4.680301   6.186158   3.546413   3.216175   4.133762
    42  C    6.199094   6.940793   5.762581   5.381766   6.726325
    43  H    6.261281   7.132447   5.838490   5.271832   6.807307
    44  H    7.226628   7.952444   6.712404   6.347702   7.627624
    45  H    6.053797   6.472005   5.863986   5.609908   6.892049
    46  C    5.191636   5.891807   4.618563   4.683495   5.434749
    47  H    4.840888   5.730267   4.072561   4.267410   4.732433
    48  H    4.746020   5.111665   4.485547   4.663033   5.393800
    49  H    6.250516   6.821308   5.680602   5.766605   6.449098
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389396   0.000000
    23  H    3.841971   1.102428   0.000000
    24  H    3.598210   1.102552   1.790015   0.000000
    25  H    4.174113   1.098906   1.797389   1.794869   0.000000
    26  C    6.534161   6.445863   7.547522   6.185334   6.128771
    27  O    6.921545   7.324371   8.422921   7.011671   7.132319
    28  N    5.679125   5.565340   6.653680   5.509420   5.192230
    29  H    7.105317   6.519528   7.601844   6.176064   6.110835
    30  C    5.803137   4.888730   5.929930   4.958982   4.273956
    31  H    6.476017   5.545360   6.520450   5.776280   4.815875
    32  H    4.901677   3.844926   4.875140   4.027797   3.253503
    33  H    6.424012   5.089651   6.112660   4.994735   4.420867
    34  C    5.131134   5.778154   6.817923   5.878419   5.549115
    35  H    5.965833   6.607417   7.613970   6.813096   6.282469
    36  H    5.109953   6.242526   7.279507   6.219924   6.177687
    37  H    4.231169   4.944672   5.934341   5.180981   4.769729
    38  C    3.572222   5.828706   6.467385   5.338091   6.580466
    39  O    4.334850   6.028416   6.616301   5.342087   6.808372
    40  N    3.949866   6.227526   7.015654   5.822764   6.807324
    41  H    2.910860   5.615217   6.132069   5.283554   6.450954
    42  C    5.161954   6.915094   7.803481   6.387572   7.354535
    43  H    5.422381   6.765028   7.629954   6.086103   7.223921
    44  H    6.037744   7.993007   8.863153   7.472449   8.445211
    45  H    5.260197   6.770808   7.743771   6.322667   7.056358
    46  C    3.679885   6.335970   7.127127   6.179102   6.837794
    47  H    3.043928   6.095770   6.761465   6.049540   6.699389
    48  H    3.603076   5.876375   6.757555   5.796781   6.224401
    49  H    4.701798   7.419013   8.215111   7.271182   7.885912
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242572   0.000000
    28  N    1.361055   2.314512   0.000000
    29  H    1.107871   2.057714   2.057378   0.000000
    30  C    2.467995   3.636096   1.463721   2.565491   0.000000
    31  H    3.128762   4.220173   2.116982   3.249343   1.103061
    32  H    3.240030   4.330129   2.107907   3.407821   1.102125
    33  H    2.559147   3.801318   2.103976   2.170630   1.098770
    34  C    2.462458   2.850125   1.465029   3.413605   2.496238
    35  H    3.023947   3.319489   2.124124   3.944015   2.955013
    36  H    2.586431   2.502442   2.101102   3.659216   3.388201
    37  H    3.292486   3.808101   2.097831   4.114310   2.610646
    38  C    6.253049   6.093317   6.110122   6.839913   6.855098
    39  O    6.614150   6.483974   6.629828   7.033303   7.296139
    40  N    5.361011   5.036445   5.287321   6.086633   6.250820
    41  H    6.876565   6.804380   6.532141   7.508711   7.169029
    42  C    4.697875   4.157082   4.992181   5.361458   6.114730
    43  H    4.837047   4.416206   5.252389   5.293222   6.239436
    44  H    5.409046   4.661779   5.811353   6.106738   7.033132
    45  H    3.689540   3.099590   4.025058   4.444042   5.251316
    46  C    5.385165   5.072886   5.059071   6.280198   6.055155
    47  H    6.201368   6.023321   5.696011   7.070152   6.517084
    48  H    4.482159   4.283800   4.031969   5.419801   5.035876
    49  H    5.812522   5.290587   5.605755   6.775612   6.742584
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787925   0.000000
    33  H    1.799372   1.794976   0.000000
    34  C    2.824036   2.721686   3.419075   0.000000
    35  H    2.869188   3.336023   3.914793   1.103471   0.000000
    36  H    3.852628   3.590272   4.167375   1.097452   1.795960
    37  H    2.956778   2.377311   3.622305   1.099380   1.790817
    38  C    7.783101   6.383066   7.226033   5.751956   6.733532
    39  O    8.303657   6.847367   7.492922   6.516868   7.554455
    40  N    7.117945   5.943802   6.702581   4.806175   5.721845
    41  H    8.029581   6.567291   7.641508   6.016252   6.948487
    42  C    7.014260   6.047414   6.417078   4.764015   5.660724
    43  H    7.227350   6.160857   6.366387   5.302916   6.274419
    44  H    7.881019   7.038564   7.348280   5.493223   6.277645
    45  H    6.097443   5.315358   5.590992   3.817319   4.676888
    46  C    6.755133   5.731856   6.719950   4.201093   4.956023
    47  H    7.178079   6.030433   7.234809   4.765938   5.488087
    48  H    5.685924   4.763273   5.763861   3.104637   3.872649
    49  H    7.369906   6.540908   7.430609   4.647454   5.241297
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795293   0.000000
    38  C    5.108186   5.456311   0.000000
    39  O    5.911122   6.279787   1.243333   0.000000
    40  N    4.011111   4.690138   1.361037   2.314529   0.000000
    41  H    5.461337   5.542232   1.108347   2.058295   2.058859
    42  C    3.868940   4.963379   2.470131   2.861852   1.465711
    43  H    4.532477   5.485758   2.571470   2.462378   2.104876
    44  H    4.495965   5.783305   3.098019   3.454406   2.119776
    45  H    2.900592   4.178373   3.258257   3.749541   2.100455
    46  C    3.406587   3.996464   2.467055   3.633929   1.463520
    47  H    4.138802   4.324476   2.555143   3.797174   2.106105
    48  H    2.367443   2.918990   3.147473   4.217795   2.109020
    49  H    3.719658   4.613014   3.219948   4.326454   2.111677
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419780   0.000000
    43  H    3.653993   1.097702   0.000000
    44  H    3.997143   1.102417   1.797148   0.000000
    45  H    4.087018   1.100899   1.796207   1.790121   0.000000
    46  C    2.566536   2.488169   3.386410   2.935899   2.602527
    47  H    2.164738   3.418220   4.186566   3.870664   3.641671
    48  H    3.295341   2.761241   3.614389   3.389207   2.431651
    49  H    3.367350   2.757575   3.800065   2.792527   2.858693
                   46         47         48         49
    46  C    0.000000
    47  H    1.098609   0.000000
    48  H    1.103669   1.796074   0.000000
    49  H    1.101794   1.796469   1.791434   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2165974      0.1958918      0.1840733
 Leave Link  202 at Mon Nov 14 05:28:35 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.7057204958 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854714030 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.5202490928 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4049
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.34D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     233
 GePol: Fraction of low-weight points (<1% of avg)   =       5.75%
 GePol: Cavity surface area                          =    468.447 Ang**2
 GePol: Cavity volume                                =    458.648 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040531452 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.5161959476 Hartrees.
 Leave Link  301 at Mon Nov 14 05:28:35 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11994 LenP2D=   37530.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   446   446   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:28:36 2016, MaxMem=  2952790016 cpu:        13.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:28:37 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000424    0.000056   -0.000807
         Rot=    1.000000    0.000046    0.000028    0.000005 Ang=   0.01 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:28:37 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49183203.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.02D-14 for   2825.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.15D-15 for   1366     26.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.55D-15 for   2825.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.82D-09 for   2501   2490.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.10D-15 for    280.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.56D-14 for   2080    473.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2259.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.17D-16 for   1947    828.
 E= -1013.45144604929    
 DIIS: error= 6.97D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45144604929     IErMin= 1 ErrMin= 6.97D-05
 ErrMax= 6.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.72D-06 BMatP= 9.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.95D-05 MaxDP=8.18D-04              OVMax= 7.52D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.95D-05    CP:  1.00D+00
 E= -1013.45146152792     Delta-E=       -0.000015478623 Rises=F Damp=F
 DIIS: error= 9.00D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45146152792     IErMin= 2 ErrMin= 9.00D-06
 ErrMax= 9.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-07 BMatP= 9.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-01 0.984D+00
 Coeff:      0.161D-01 0.984D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.77D-06 MaxDP=1.80D-04 DE=-1.55D-05 OVMax= 1.71D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.69D-06    CP:  1.00D+00  9.68D-01
 E= -1013.45146126457     Delta-E=        0.000000263344 Rises=F Damp=F
 DIIS: error= 2.36D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45146152792     IErMin= 2 ErrMin= 9.00D-06
 ErrMax= 2.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-07 BMatP= 1.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-02 0.672D+00 0.326D+00
 Coeff:      0.195D-02 0.672D+00 0.326D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.03D-06 MaxDP=1.72D-04 DE= 2.63D-07 OVMax= 1.84D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.10D-06    CP:  1.00D+00  9.75D-01  3.70D-01
 E= -1013.45146160640     Delta-E=       -0.000000341821 Rises=F Damp=F
 DIIS: error= 7.57D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45146160640     IErMin= 4 ErrMin= 7.57D-06
 ErrMax= 7.57D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-08 BMatP= 1.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-04 0.281D+00 0.229D+00 0.490D+00
 Coeff:      0.166D-04 0.281D+00 0.229D+00 0.490D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.31D-07 MaxDP=4.37D-05 DE=-3.42D-07 OVMax= 6.08D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.41D-07    CP:  1.00D+00  9.79D-01  4.38D-01  5.55D-01
 E= -1013.45146163434     Delta-E=       -0.000000027944 Rises=F Damp=F
 DIIS: error= 3.76D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45146163434     IErMin= 5 ErrMin= 3.76D-06
 ErrMax= 3.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-09 BMatP= 3.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-05 0.140D+00 0.134D+00 0.344D+00 0.382D+00
 Coeff:      0.151D-05 0.140D+00 0.134D+00 0.344D+00 0.382D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.76D-07 MaxDP=1.19D-05 DE=-2.79D-08 OVMax= 1.60D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.01D-07    CP:  1.00D+00  9.79D-01  4.29D-01  5.82D-01  5.92D-01
 E= -1013.45146163876     Delta-E=       -0.000000004422 Rises=F Damp=F
 DIIS: error= 2.14D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45146163876     IErMin= 6 ErrMin= 2.14D-07
 ErrMax= 2.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.78D-11 BMatP= 4.99D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.944D-05 0.421D-01 0.425D-01 0.113D+00 0.152D+00 0.651D+00
 Coeff:     -0.944D-05 0.421D-01 0.425D-01 0.113D+00 0.152D+00 0.651D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.62D-08 MaxDP=1.09D-06 DE=-4.42D-09 OVMax= 1.55D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.32D-08    CP:  1.00D+00  9.79D-01  4.31D-01  5.83D-01  5.79D-01
                    CP:  9.08D-01
 E= -1013.45146163870     Delta-E=        0.000000000058 Rises=F Damp=F
 DIIS: error= 9.74D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -1013.45146163876     IErMin= 7 ErrMin= 9.74D-08
 ErrMax= 9.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.49D-12 BMatP= 3.78D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-04 0.902D-02 0.100D-01 0.271D-01 0.441D-01 0.353D+00
 Coeff-Com:  0.557D+00
 Coeff:     -0.122D-04 0.902D-02 0.100D-01 0.271D-01 0.441D-01 0.353D+00
 Coeff:      0.557D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.53D-09 MaxDP=3.55D-07 DE= 5.78D-11 OVMax= 5.13D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45146164     A.U. after    7 cycles
            NFock=  7  Conv=0.85D-08     -V/T= 2.0213
 KE= 9.923524397275D+02 PE=-6.034541848991D+03 EE= 2.177221751677D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:30:13 2016, MaxMem=  2952790016 cpu:      1082.4
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11994 LenP2D=   37530.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 05:30:21 2016, MaxMem=  2952790016 cpu:       100.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:30:21 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:30:58 2016, MaxMem=  2952790016 cpu:       443.2
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19949137D+00-2.53736458D+00 3.32177567D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000168143    0.000082972   -0.000096576
      2        6          -0.000030012    0.000023642   -0.000036768
      3        8           0.000020732    0.000013437    0.000112363
      4        7           0.000129975   -0.000044662   -0.000122563
      5        1           0.000002107    0.000006142    0.000035986
      6        6           0.000011155    0.000011864    0.000067912
      7        1          -0.000021998   -0.000010355    0.000035054
      8        1          -0.000056588    0.000020307   -0.000075691
      9        1          -0.000001379    0.000028679    0.000026728
     10        6          -0.000008878    0.000113154    0.000023371
     11        1           0.000037334    0.000016808    0.000039897
     12        1          -0.000011694    0.000027409   -0.000031402
     13        1           0.000014567    0.000029788    0.000029919
     14        6           0.000050869   -0.000084864   -0.000044972
     15        8          -0.000114766    0.000017816   -0.000076641
     16        7           0.000052663   -0.000040833    0.000047145
     17        1          -0.000023277    0.000040853   -0.000061612
     18        6          -0.000039839   -0.000063048    0.000083796
     19        1          -0.000026220    0.000033023   -0.000084629
     20        1          -0.000025942    0.000017500   -0.000035029
     21        1          -0.000023136    0.000000476   -0.000012468
     22        6          -0.000016185   -0.000068206    0.000148018
     23        1          -0.000045394    0.000090753   -0.000086139
     24        1          -0.000103488    0.000131126   -0.000086351
     25        1          -0.000015912   -0.000033021   -0.000074448
     26        6          -0.000034077   -0.000007147    0.000159324
     27        8           0.000050543    0.000039239   -0.000091230
     28        7          -0.000088095   -0.000057427    0.000059297
     29        1           0.000039718   -0.000027810    0.000019816
     30        6           0.000100222    0.000056459    0.000092793
     31        1          -0.000026149   -0.000075317   -0.000088518
     32        1          -0.000000656   -0.000054384   -0.000065490
     33        1          -0.000007676    0.000022629   -0.000012723
     34        6          -0.000022737    0.000016995    0.000071364
     35        1          -0.000014133   -0.000035210   -0.000011541
     36        1          -0.000021922   -0.000027793   -0.000042229
     37        1           0.000021560   -0.000044497   -0.000018632
     38        6          -0.000079144    0.000035621   -0.000304655
     39        8          -0.000027432   -0.000092044    0.000125976
     40        7           0.000148155   -0.000155605    0.000283056
     41        1          -0.000013883    0.000039110    0.000061113
     42        6           0.000001737    0.000114613   -0.000037453
     43        1           0.000019391   -0.000024861    0.000034799
     44        1           0.000059073   -0.000014499    0.000022681
     45        1           0.000029907   -0.000071366    0.000005836
     46        6          -0.000107189    0.000008672   -0.000050332
     47        1           0.000002606   -0.000000571    0.000054513
     48        1           0.000052715    0.000028642   -0.000034330
     49        1          -0.000005368   -0.000034209    0.000041667
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000304655 RMS     0.000069575
 Leave Link  716 at Mon Nov 14 05:30:58 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000140877 RMS     0.000016797
 Search for a local minimum.
 Step number 122 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .16797D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  107  110  111  112  113
                                                    114  115  116  117  118
                                                    119  120  121  122
 DE= -2.57D-06 DEPred=-1.77D-06 R= 1.45D+00
 TightC=F SS=  1.41D+00  RLast= 5.62D-02 DXNew= 1.9044D-01 1.6852D-01
 Trust test= 1.45D+00 RLast= 5.62D-02 DXMaxT set to 1.69D-01
 ITU=  1  1 -1  1 -1  0 -1  1  1  1  0 -1  0  0 -1  1  1  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1
 ITU=  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1
 ITU= -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1
 ITU=  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00028   0.00066   0.00074   0.00100
     Eigenvalues ---    0.00118   0.00160   0.00178   0.00188   0.00232
     Eigenvalues ---    0.00232   0.00270   0.00347   0.00383   0.00454
     Eigenvalues ---    0.00549   0.00675   0.00680   0.00788   0.00821
     Eigenvalues ---    0.00842   0.00866   0.00945   0.00995   0.01092
     Eigenvalues ---    0.01164   0.01181   0.01226   0.01378   0.01460
     Eigenvalues ---    0.01539   0.01589   0.01714   0.01748   0.01778
     Eigenvalues ---    0.01790   0.01832   0.01922   0.01970   0.02049
     Eigenvalues ---    0.02173   0.02261   0.02281   0.02383   0.02440
     Eigenvalues ---    0.02548   0.02707   0.02899   0.03179   0.03287
     Eigenvalues ---    0.03394   0.04221   0.04453   0.04612   0.05420
     Eigenvalues ---    0.05563   0.05918   0.06019   0.06235   0.06272
     Eigenvalues ---    0.06484   0.06760   0.06877   0.07081   0.07252
     Eigenvalues ---    0.07602   0.07643   0.07777   0.08053   0.08167
     Eigenvalues ---    0.08406   0.08526   0.08669   0.08914   0.08996
     Eigenvalues ---    0.09224   0.09361   0.09482   0.09621   0.09758
     Eigenvalues ---    0.09957   0.10151   0.10459   0.10593   0.10851
     Eigenvalues ---    0.10933   0.11153   0.11273   0.11524   0.12933
     Eigenvalues ---    0.13317   0.14068   0.14363   0.14857   0.15142
     Eigenvalues ---    0.15311   0.15425   0.20864   0.22268   0.22745
     Eigenvalues ---    0.23168   0.24618   0.24819   0.25372   0.25947
     Eigenvalues ---    0.27071   0.27501   0.28108   0.28632   0.29387
     Eigenvalues ---    0.29768   0.30789   0.32773   0.32807   0.32855
     Eigenvalues ---    0.32940   0.33183   0.33305   0.33365   0.33369
     Eigenvalues ---    0.33393   0.33420   0.33459   0.33514   0.33727
     Eigenvalues ---    0.33811   0.33821   0.33838   0.33954   0.33971
     Eigenvalues ---    0.34069   0.34232   0.34265   0.36088   0.36591
     Eigenvalues ---    0.39814   0.40947   0.86175   0.86276   0.86919
     Eigenvalues ---    0.89541
 Eigenvalue     1 is   1.32D-05 Eigenvector:
                         D389      D391      D407      D405      D403
   1                   -0.22955  -0.22829  -0.22295  -0.22132  -0.22090
                         D383      D397      D395      D393      D399
   1                   -0.21700  -0.21656  -0.21589  -0.21563  -0.21563
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   122  121  120  119  118
 RFO step:  Lambda=-8.84648115D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.06D-05 SmlDif=  1.00D-05
 RMS Error=  0.9900335529D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.24216   -0.64738   -0.04067   -0.51960   -0.03450
 Iteration  1 RMS(Cart)=  0.00416246 RMS(Int)=  0.00001741
 Iteration  2 RMS(Cart)=  0.00001321 RMS(Int)=  0.00001337
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001337
 ITry= 1 IFail=0 DXMaxC= 3.40D-02 DCOld= 1.00D+10 DXMaxT= 1.69D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.59058  -0.00006  -0.00062  -0.00323  -0.00385   6.58673
    R2        6.24409   0.00001  -0.00178   0.00282   0.00104   6.24513
    R3        7.17328   0.00000  -0.00158   0.00086  -0.00072   7.17256
    R4        6.22534   0.00000  -0.00090  -0.00006  -0.00095   6.22438
    R5        6.53055   0.00003   0.00064   0.00343   0.00406   6.53461
    R6        5.96470   0.00003   0.00099  -0.00564  -0.00464   5.96006
    R7        6.68893   0.00002   0.00079   0.00100   0.00181   6.69074
    R8        6.21127   0.00003  -0.00146  -0.00006  -0.00151   6.20975
    R9        6.63317   0.00004  -0.00166   0.00012  -0.00155   6.63162
   R10        6.05548   0.00002   0.00291   0.00296   0.00587   6.06135
   R11        6.92987   0.00002  -0.00251  -0.00075  -0.00325   6.92662
   R12        6.01466   0.00000  -0.00183  -0.00215  -0.00398   6.01068
   R13        6.88473   0.00002   0.00017   0.00159   0.00176   6.88649
   R14        6.19107   0.00000  -0.00069  -0.00085  -0.00155   6.18952
   R15        6.83257   0.00003  -0.00045  -0.00048  -0.00094   6.83163
   R16        5.93262   0.00004   0.00230  -0.00292  -0.00062   5.93200
   R17        6.69531  -0.00001  -0.00206  -0.00170  -0.00377   6.69154
   R18        6.54250   0.00002  -0.00223   0.00280   0.00058   6.54307
   R19        6.22132   0.00001   0.00010   0.00143   0.00153   6.22285
   R20        6.56800  -0.00001  -0.00228   0.00112  -0.00115   6.56685
   R21        6.03348  -0.00004  -0.00329  -0.00033  -0.00362   6.02986
   R22        7.02953   0.00005   0.00093   0.00171   0.00262   7.03214
   R23        6.04973  -0.00001  -0.00041   0.00001  -0.00038   6.04934
   R24        2.34947  -0.00004  -0.00001   0.00002   0.00001   2.34948
   R25        2.57194   0.00002  -0.00011  -0.00004  -0.00015   2.57178
   R26        2.09479  -0.00001   0.00003   0.00000   0.00002   2.09482
   R27        2.76543   0.00001   0.00008  -0.00030  -0.00023   2.76519
   R28        2.76888  -0.00007   0.00011  -0.00037  -0.00027   2.76862
   R29        2.07659   0.00001  -0.00001   0.00005   0.00004   2.07663
   R30        2.08284  -0.00005  -0.00014   0.00000  -0.00014   2.08270
   R31        2.08259  -0.00001  -0.00002   0.00003   0.00001   2.08260
   R32        2.08078   0.00003  -0.00010   0.00011   0.00002   2.08081
   R33        2.07463   0.00001  -0.00002  -0.00004  -0.00006   2.07457
   R34        2.08345  -0.00001   0.00000  -0.00003  -0.00003   2.08342
   R35        2.34854  -0.00003  -0.00005  -0.00010  -0.00015   2.34839
   R36        2.57172  -0.00006   0.00000  -0.00001  -0.00008   2.57164
   R37        2.09438  -0.00001   0.00001  -0.00001   0.00000   2.09438
   R38        2.76947   0.00002   0.00009   0.00001   0.00013   2.76960
   R39        2.76548   0.00000   0.00027  -0.00022   0.00002   2.76550
   R40        2.08081   0.00005  -0.00003   0.00000   0.00000   2.08080
   R41        2.08405   0.00001  -0.00001   0.00004   0.00003   2.08408
   R42        2.07376   0.00000  -0.00008   0.00011   0.00004   2.07379
   R43        2.08329  -0.00001  -0.00002  -0.00001  -0.00004   2.08325
   R44        2.08352   0.00008   0.00008   0.00021   0.00032   2.08384
   R45        2.07663   0.00002   0.00002   0.00001   0.00004   2.07667
   R46        2.34812  -0.00002   0.00009  -0.00006   0.00003   2.34815
   R47        2.57202   0.00004  -0.00005   0.00001  -0.00002   2.57200
   R48        2.09357   0.00000  -0.00004   0.00002  -0.00002   2.09355
   R49        2.76603   0.00002   0.00019   0.00006   0.00027   2.76630
   R50        2.76850  -0.00001   0.00006   0.00006   0.00013   2.76863
   R51        2.08448  -0.00001   0.00000   0.00001   0.00001   2.08449
   R52        2.08271   0.00003  -0.00001   0.00008   0.00007   2.08279
   R53        2.07637   0.00001  -0.00001   0.00002   0.00002   2.07639
   R54        2.08526  -0.00001   0.00000   0.00001   0.00001   2.08527
   R55        2.07388  -0.00001   0.00001  -0.00008  -0.00007   2.07382
   R56        2.07753   0.00000  -0.00014  -0.00006  -0.00020   2.07733
   R57        2.34956  -0.00014   0.00000   0.00002   0.00001   2.34957
   R58        2.57199   0.00014   0.00040  -0.00013   0.00028   2.57226
   R59        2.09447   0.00000  -0.00005   0.00000  -0.00006   2.09441
   R60        2.76979   0.00008   0.00020  -0.00001   0.00018   2.76998
   R61        2.76565  -0.00007   0.00022  -0.00008   0.00012   2.76577
   R62        2.07436  -0.00002  -0.00004  -0.00001  -0.00005   2.07431
   R63        2.08327  -0.00001  -0.00002   0.00000  -0.00001   2.08325
   R64        2.08040   0.00000   0.00002   0.00003   0.00004   2.08044
   R65        2.07607   0.00000  -0.00002   0.00003   0.00001   2.07608
   R66        2.08563   0.00002   0.00021  -0.00002   0.00020   2.08583
   R67        2.08209   0.00002  -0.00005  -0.00003  -0.00008   2.08201
    A1        0.68585   0.00000   0.00013  -0.00002   0.00011   0.68596
    A2        0.96362  -0.00001   0.00022  -0.00009   0.00011   0.96373
    A3        0.72726   0.00000   0.00002   0.00002   0.00004   0.72730
    A4        1.02041   0.00000   0.00007   0.00011   0.00018   1.02059
    A5        2.37778  -0.00001   0.00159   0.00094   0.00250   2.38028
    A6        2.04379   0.00000   0.00105   0.00111   0.00216   2.04595
    A7        1.97225   0.00000  -0.00001   0.00121   0.00120   1.97344
    A8        1.67103  -0.00001  -0.00059   0.00103   0.00045   1.67147
    A9        1.68216   0.00000   0.00134   0.00101   0.00236   1.68452
   A10        1.39669  -0.00002   0.00110   0.00098   0.00209   1.39878
   A11        1.73773   0.00001   0.00081  -0.00019   0.00061   1.73833
   A12        2.04642   0.00001   0.00063  -0.00027   0.00035   2.04677
   A13        1.95748   0.00000   0.00025  -0.00023   0.00001   1.95749
   A14        2.05590  -0.00001   0.00075  -0.00102  -0.00028   2.05562
   A15        2.43658   0.00001   0.00087  -0.00019   0.00066   2.43724
   A16        1.60190   0.00000   0.00202   0.00345   0.00547   1.60737
   A17        1.80053   0.00002   0.00224   0.00281   0.00506   1.80560
   A18        1.57566   0.00000   0.00208   0.00195   0.00404   1.57971
   A19        1.71203   0.00001   0.00199   0.00093   0.00293   1.71496
   A20        2.20228   0.00001   0.00221   0.00263   0.00485   2.20712
   A21        2.42051   0.00000   0.00236   0.00244   0.00481   2.42531
   A22        0.65135  -0.00001   0.00017  -0.00020  -0.00004   0.65131
   A23        0.66135  -0.00001   0.00011   0.00012   0.00023   0.66158
   A24        2.45154  -0.00001   0.00306   0.00143   0.00447   2.45601
   A25        2.25865   0.00000   0.00225   0.00182   0.00406   2.26271
   A26        2.32594   0.00000   0.00079   0.00178   0.00255   2.32849
   A27        2.04723   0.00000  -0.00021   0.00142   0.00122   2.04844
   A28        1.85108   0.00000   0.00215   0.00178   0.00394   1.85502
   A29        1.60297  -0.00001   0.00175   0.00167   0.00343   1.60639
   A30        1.34270   0.00000   0.00067  -0.00038   0.00029   1.34299
   A31        1.64760   0.00000   0.00065  -0.00038   0.00026   1.64786
   A32        1.60686  -0.00001   0.00057  -0.00021   0.00036   1.60721
   A33        1.77111  -0.00001   0.00123  -0.00086   0.00036   1.77148
   A34        2.03952   0.00000   0.00075  -0.00035   0.00039   2.03991
   A35        1.87047   0.00001   0.00208   0.00304   0.00513   1.87559
   A36        1.93649   0.00002   0.00218   0.00210   0.00428   1.94077
   A37        1.58572   0.00000   0.00195   0.00144   0.00340   1.58912
   A38        1.59968   0.00001   0.00179   0.00032   0.00212   1.60179
   A39        2.28826   0.00001   0.00203   0.00137   0.00340   2.29167
   A40        2.37964   0.00000   0.00200   0.00090   0.00289   2.38253
   A41        0.69518  -0.00001   0.00011  -0.00036  -0.00025   0.69493
   A42        0.75398   0.00000   0.00027   0.00053   0.00080   0.75478
   A43        2.72365   0.00001   0.00350   0.00151   0.00500   2.72865
   A44        2.64696   0.00001   0.00256   0.00189   0.00442   2.65138
   A45        2.65079   0.00000  -0.00036   0.00085   0.00044   2.65123
   A46        2.33748  -0.00001  -0.00090   0.00061  -0.00029   2.33719
   A47        2.23722   0.00001   0.00238   0.00187   0.00425   2.24148
   A48        1.99465   0.00000   0.00185   0.00161   0.00347   1.99812
   A49        1.10313   0.00001   0.00110   0.00007   0.00117   1.10429
   A50        1.46685   0.00001   0.00112   0.00002   0.00114   1.46799
   A51        1.58072   0.00000   0.00117   0.00022   0.00140   1.58211
   A52        1.82705   0.00000   0.00171  -0.00027   0.00144   1.82850
   A53        1.78338   0.00001   0.00104  -0.00006   0.00098   1.78435
   A54        1.73008   0.00000   0.00185   0.00191   0.00377   1.73385
   A55        1.66123   0.00001   0.00185   0.00126   0.00312   1.66434
   A56        1.25837  -0.00001   0.00167   0.00101   0.00270   1.26107
   A57        1.22069   0.00000   0.00160   0.00017   0.00178   1.22247
   A58        1.95014   0.00000   0.00168   0.00060   0.00229   1.95243
   A59        1.99540  -0.00001   0.00177   0.00063   0.00240   1.99780
   A60        0.85084  -0.00001   0.00014  -0.00057  -0.00043   0.85041
   A61        0.79005  -0.00001   0.00031   0.00046   0.00076   0.79081
   A62        2.64900   0.00001   0.00260   0.00096   0.00352   2.65252
   A63        2.82622   0.00000   0.00335   0.00208   0.00542   2.83164
   A64        2.58960  -0.00002  -0.00122   0.00017  -0.00106   2.58854
   A65        2.44158   0.00000   0.00273   0.00207   0.00480   2.44638
   A66        2.23763  -0.00001   0.00212   0.00171   0.00383   2.24145
   A67        0.86556   0.00001   0.00122   0.00022   0.00145   0.86701
   A68        1.24369   0.00002   0.00123   0.00013   0.00136   1.24506
   A69        1.43785   0.00001   0.00138   0.00031   0.00170   1.43954
   A70        1.71710   0.00001   0.00179  -0.00002   0.00177   1.71887
   A71        1.52027   0.00002   0.00103   0.00001   0.00105   1.52132
   A72        1.74247   0.00000   0.00157   0.00111   0.00269   1.74516
   A73        1.56830   0.00001   0.00149   0.00061   0.00212   1.57042
   A74        1.13785  -0.00001   0.00134   0.00061   0.00197   1.13982
   A75        1.02337   0.00000   0.00132  -0.00004   0.00130   1.02467
   A76        1.77959   0.00001   0.00130   0.00000   0.00132   1.78091
   A77        1.76799   0.00000   0.00145   0.00025   0.00172   1.76971
   A78        2.05678   0.00001   0.00332   0.00185   0.00516   2.06195
   A79        1.98645   0.00001   0.00301   0.00257   0.00557   1.99202
   A80        2.24631   0.00001   0.00239   0.00287   0.00525   2.25155
   A81        2.08232   0.00000   0.00094   0.00243   0.00336   2.08568
   A82        1.59081   0.00002   0.00259   0.00266   0.00526   1.59607
   A83        1.41517   0.00001   0.00218   0.00254   0.00472   1.41989
   A84        1.19336   0.00000  -0.00005  -0.00089  -0.00094   1.19242
   A85        1.38830   0.00001   0.00005  -0.00066  -0.00061   1.38770
   A86        1.23059   0.00000   0.00018  -0.00028  -0.00010   1.23049
   A87        1.35132   0.00000   0.00104  -0.00077   0.00027   1.35159
   A88        1.81408   0.00001   0.00019  -0.00055  -0.00037   1.81371
   A89        2.30028  -0.00001   0.00210   0.00296   0.00507   2.30534
   A90        2.34847   0.00000   0.00208   0.00128   0.00336   2.35183
   A91        1.95328  -0.00001   0.00177   0.00061   0.00238   1.95566
   A92        1.87391  -0.00001   0.00145  -0.00065   0.00080   1.87471
   A93        2.63024  -0.00001   0.00150  -0.00048   0.00099   2.63123
   A94        2.56653  -0.00001   0.00088  -0.00148  -0.00062   2.56591
   A95        1.96988   0.00001   0.00321   0.00097   0.00417   1.97404
   A96        2.03852   0.00001   0.00307   0.00162   0.00467   2.04319
   A97        2.40489   0.00001   0.00285   0.00195   0.00478   2.40967
   A98        2.33479   0.00000   0.00127   0.00176   0.00301   2.33780
   A99        1.69781   0.00002   0.00251   0.00185   0.00435   1.70216
   A100       1.59519   0.00002   0.00208   0.00172   0.00379   1.59898
   A101       0.88634   0.00000  -0.00013  -0.00035  -0.00048   0.88587
   A102       1.06671   0.00001   0.00011  -0.00038  -0.00026   1.06645
   A103       0.94702   0.00000   0.00040  -0.00033   0.00007   0.94709
   A104       1.12122   0.00000   0.00125  -0.00097   0.00028   1.12150
   A105       1.49217   0.00000   0.00024  -0.00026  -0.00002   1.49215
   A106       2.48256   0.00000   0.00216   0.00259   0.00475   2.48731
   A107       2.35567   0.00000   0.00170   0.00084   0.00253   2.35821
   A108       1.92261  -0.00002   0.00152   0.00087   0.00240   1.92501
   A109       1.74772  -0.00001   0.00120  -0.00014   0.00107   1.74879
   A110       2.46692  -0.00001   0.00071  -0.00114  -0.00044   2.46648
   A111       2.30147  -0.00001   0.00036  -0.00148  -0.00112   2.30035
   A112       0.71541  -0.00001   0.00001  -0.00009  -0.00009   0.71532
   A113       1.00776   0.00000  -0.00002  -0.00017  -0.00021   1.00755
   A114       0.69772  -0.00001   0.00010  -0.00004   0.00003   0.69776
   A115       0.98688   0.00001   0.00023  -0.00002   0.00020   0.98708
   A116       1.81696   0.00001   0.00025   0.00020   0.00044   1.81740
   A117       1.43575   0.00000   0.00022   0.00030   0.00052   1.43627
   A118       1.21118   0.00001   0.00124   0.00066   0.00189   1.21308
   A119       0.93539   0.00001   0.00111   0.00119   0.00230   0.93769
   A120       1.24846   0.00001  -0.00094  -0.00015  -0.00110   1.24736
   A121       1.82782   0.00000  -0.00527  -0.00327  -0.00855   1.81927
   A122       1.87789  -0.00001  -0.00540  -0.00317  -0.00857   1.86932
   A123       2.24567   0.00001  -0.00495  -0.00289  -0.00785   2.23781
   A124       2.18515   0.00000  -0.00402  -0.00189  -0.00593   2.17922
   A125       1.54338   0.00000  -0.00507  -0.00280  -0.00787   1.53551
   A126       1.42225   0.00001  -0.00476  -0.00288  -0.00764   1.41461
   A127       0.65806   0.00000  -0.00007  -0.00019  -0.00026   0.65780
   A128       0.66254   0.00001   0.00025   0.00013   0.00038   0.66292
   A129       2.17839   0.00000   0.00027   0.00041   0.00066   2.17905
   A130       1.80470  -0.00001   0.00006   0.00041   0.00045   1.80515
   A131       1.51491   0.00000   0.00079   0.00082   0.00161   1.51651
   A132       1.22001   0.00000   0.00063   0.00103   0.00165   1.22166
   A133       1.64288   0.00000  -0.00097  -0.00023  -0.00121   1.64167
   A134       1.68644  -0.00001  -0.00462  -0.00256  -0.00720   1.67924
   A135       1.88797  -0.00001  -0.00483  -0.00263  -0.00746   1.88051
   A136       2.31908   0.00000  -0.00468  -0.00268  -0.00737   2.31171
   A137       2.41239   0.00000  -0.00434  -0.00209  -0.00645   2.40594
   A138       1.66549  -0.00001  -0.00454  -0.00228  -0.00682   1.65867
   A139       1.64082   0.00000  -0.00430  -0.00252  -0.00682   1.63400
   A140       0.70822  -0.00001   0.00040   0.00006   0.00046   0.70868
   A141       0.83302   0.00000   0.00033   0.00033   0.00067   0.83368
   A142       2.51304   0.00000   0.00013  -0.00025  -0.00014   2.51291
   A143       2.13467  -0.00001   0.00032  -0.00001   0.00030   2.13497
   A144       1.91863   0.00000   0.00111   0.00068   0.00178   1.92041
   A145       1.63026   0.00000   0.00091   0.00107   0.00197   1.63223
   A146       1.84850  -0.00001  -0.00052  -0.00068  -0.00120   1.84729
   A147       1.26211  -0.00001  -0.00458  -0.00239  -0.00699   1.25512
   A148       1.50991  -0.00001  -0.00440  -0.00221  -0.00661   1.50329
   A149       1.94005   0.00001  -0.00428  -0.00235  -0.00664   1.93341
   A150       2.12898   0.00000  -0.00402  -0.00191  -0.00593   2.12304
   A151       1.38488  -0.00001  -0.00372  -0.00160  -0.00532   1.37956
   A152       1.46158   0.00000  -0.00331  -0.00176  -0.00507   1.45651
   A153       0.76873  -0.00001  -0.00008  -0.00028  -0.00034   0.76838
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   A157       2.16984   0.00001   0.00057   0.00066   0.00121   2.17106
   A158       1.87380   0.00000   0.00040   0.00077   0.00115   1.87496
   A159       2.16188   0.00000  -0.00019  -0.00062  -0.00082   2.16106
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   A161       1.47997   0.00001  -0.00265  -0.00101  -0.00366   1.47630
   A162       1.87232   0.00001  -0.00268  -0.00132  -0.00401   1.86831
   A163       2.13888   0.00001  -0.00250  -0.00107  -0.00358   2.13530
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   A165       1.63062   0.00001  -0.00169  -0.00072  -0.00243   1.62820
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   A168       1.47180   0.00002  -0.00007   0.00103   0.00095   1.47274
   A169       1.19174   0.00001  -0.00019   0.00069   0.00048   1.19222
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   A171       1.91379  -0.00002  -0.00325  -0.00156  -0.00485   1.90894
   A172       2.21473  -0.00001  -0.00374  -0.00197  -0.00573   2.20900
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   A174       2.06160  -0.00001  -0.00402  -0.00203  -0.00607   2.05554
   A175       2.05044   0.00000  -0.00413  -0.00253  -0.00667   2.04378
   A176       2.26598   0.00003   0.00045   0.00110   0.00153   2.26751
   A177       2.04323   0.00003  -0.00033   0.00078   0.00043   2.04365
   A178       1.63115   0.00003  -0.00026   0.00082   0.00054   1.63170
   A179       1.38136   0.00002  -0.00029   0.00023  -0.00009   1.38127
   A180       2.12518   0.00003  -0.00117   0.00016  -0.00103   2.12415
   A181       1.86442  -0.00003  -0.00214  -0.00027  -0.00244   1.86198
   A182       2.23605  -0.00001  -0.00238  -0.00062  -0.00302   2.23303
   A183       2.56858  -0.00001  -0.00114  -0.00019  -0.00136   2.56721
   A184       2.21461  -0.00001  -0.00311  -0.00105  -0.00418   2.21043
   A185       2.27691   0.00000  -0.00356  -0.00190  -0.00548   2.27144
   A186       0.69379   0.00000   0.00005  -0.00009  -0.00004   0.69375
   A187       0.98582   0.00001   0.00009  -0.00006   0.00004   0.98585
   A188       0.69897   0.00000   0.00005   0.00000   0.00005   0.69902
   A189       2.15156   0.00000   0.00148  -0.00103   0.00044   2.15200
   A190       1.76497  -0.00002   0.00110  -0.00114  -0.00004   1.76493
   A191       1.44079  -0.00002   0.00137  -0.00042   0.00095   1.44174
   A192       1.13340  -0.00002   0.00120  -0.00061   0.00060   1.13399
   A193       1.64056  -0.00001   0.00040  -0.00180  -0.00139   1.63917
   A194       1.42312  -0.00001   0.00035  -0.00145  -0.00109   1.42204
   A195       0.66825   0.00001  -0.00013   0.00032   0.00020   0.66845
   A196       2.27078   0.00000   0.00029  -0.00237  -0.00210   2.26868
   A197       1.87124  -0.00002   0.00022  -0.00207  -0.00185   1.86939
   A198       1.66352  -0.00001   0.00079  -0.00109  -0.00030   1.66322
   A199       1.34292  -0.00001   0.00070  -0.00098  -0.00028   1.34264
   A200       1.61280  -0.00001  -0.00036  -0.00250  -0.00286   1.60994
   A201       1.34358  -0.00001  -0.00033  -0.00221  -0.00253   1.34104
   A202       0.71210   0.00001   0.00020   0.00016   0.00036   0.71246
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   A204       2.26121  -0.00002  -0.00014  -0.00232  -0.00247   2.25874
   A205       2.07932  -0.00001   0.00091  -0.00100  -0.00009   2.07922
   A206       1.75856  -0.00001   0.00081  -0.00092  -0.00011   1.75845
   A207       1.94189  -0.00001  -0.00083  -0.00273  -0.00356   1.93833
   A208       1.65896   0.00000  -0.00077  -0.00254  -0.00331   1.65565
   A209       0.83073   0.00002  -0.00040   0.00083   0.00044   0.83117
   A210       2.62498   0.00001  -0.00285  -0.00241  -0.00528   2.61970
   A211       2.35742  -0.00001  -0.00178  -0.00190  -0.00370   2.35372
   A212       2.30587   0.00000  -0.00001  -0.00083  -0.00086   2.30501
   A213       1.99238   0.00000   0.00011  -0.00056  -0.00045   1.99193
   A214       1.97384   0.00001  -0.00215  -0.00195  -0.00410   1.96974
   A215       1.69971   0.00001  -0.00199  -0.00187  -0.00386   1.69585
   A216       1.92659   0.00000  -0.00070  -0.00307  -0.00377   1.92283
   A217       1.55828  -0.00003  -0.00065  -0.00265  -0.00330   1.55497
   A218       1.49206  -0.00001  -0.00016  -0.00173  -0.00190   1.49016
   A219       1.20110  -0.00001  -0.00015  -0.00125  -0.00140   1.19970
   A220       1.23278  -0.00001  -0.00091  -0.00284  -0.00375   1.22903
   A221       0.95176  -0.00001  -0.00082  -0.00261  -0.00342   0.94835
   A222       0.72805   0.00002   0.00033  -0.00020   0.00013   0.72818
   A223       1.02034   0.00002   0.00036  -0.00025   0.00011   1.02045
   A224       0.69776   0.00001   0.00011  -0.00030  -0.00019   0.69757
   A225       0.98103   0.00001   0.00004  -0.00048  -0.00046   0.98057
   A226       0.65900   0.00000   0.00014  -0.00008   0.00006   0.65906
   A227       0.66100  -0.00002   0.00003  -0.00006  -0.00004   0.66096
   A228       0.70304   0.00001   0.00006  -0.00015  -0.00009   0.70294
   A229       0.84896   0.00000   0.00027   0.00031   0.00057   0.84953
   A230       0.75751   0.00000  -0.00004  -0.00004  -0.00007   0.75743
   A231       0.78022  -0.00001   0.00022   0.00064   0.00086   0.78108
   A232       1.60364  -0.00007  -0.00040  -0.00143  -0.00183   1.60182
   A233       1.85229  -0.00003   0.00105  -0.00123  -0.00017   1.85211
   A234       2.19059  -0.00003   0.00003  -0.00003   0.00000   2.19059
   A235       2.12938   0.00003  -0.00018  -0.00001  -0.00019   2.12919
   A236       1.96284   0.00000   0.00015   0.00003   0.00017   1.96302
   A237       2.12261  -0.00003   0.00000  -0.00011  -0.00012   2.12249
   A238       2.12541   0.00002   0.00011   0.00035   0.00045   2.12586
   A239       2.03387   0.00001  -0.00003  -0.00039  -0.00042   2.03345
   A240       1.84080  -0.00004   0.00001  -0.00054  -0.00053   1.84027
   A241       2.53205   0.00003  -0.00018   0.00065   0.00047   2.53251
   A242       1.91331   0.00001  -0.00010   0.00002  -0.00009   1.91322
   A243       1.91906  -0.00001   0.00012  -0.00004   0.00007   1.91913
   A244       1.91667  -0.00001  -0.00012   0.00038   0.00026   1.91693
   A245       1.90900  -0.00002   0.00023   0.00012   0.00036   1.90936
   A246       1.90808   0.00001   0.00019  -0.00019  -0.00001   1.90808
   A247       1.89757   0.00002  -0.00030  -0.00030  -0.00060   1.89697
   A248       1.29780   0.00001   0.00087   0.00520   0.00607   1.30387
   A249       1.90562   0.00001   0.00014   0.00042   0.00054   1.90616
   A250       1.90949  -0.00001  -0.00001  -0.00010  -0.00012   1.90937
   A251       1.92769   0.00000  -0.00028  -0.00043  -0.00071   1.92699
   A252       1.90976   0.00000   0.00005   0.00024   0.00030   1.91006
   A253       1.89767   0.00000   0.00007  -0.00041  -0.00034   1.89733
   A254       1.91346   0.00000   0.00004   0.00030   0.00033   1.91380
   A255       1.72491  -0.00002   0.00136  -0.00002   0.00134   1.72625
   A256       1.76545  -0.00003  -0.00079   0.00039  -0.00039   1.76506
   A257       2.19099  -0.00002   0.00000  -0.00042  -0.00043   2.19057
   A258       2.12949   0.00003  -0.00005   0.00032   0.00027   2.12975
   A259       1.96248  -0.00001   0.00004   0.00011   0.00016   1.96264
   A260       2.12326   0.00001  -0.00024  -0.00013  -0.00037   2.12290
   A261       2.12299   0.00002  -0.00028  -0.00004  -0.00035   2.12264
   A262       2.03649  -0.00003   0.00053   0.00018   0.00074   2.03723
   A263       1.34707   0.00001  -0.00283  -0.00150  -0.00434   1.34273
   A264       1.90062  -0.00002  -0.00013  -0.00019  -0.00032   1.90030
   A265       1.93088   0.00001   0.00012   0.00014   0.00027   1.93114
   A266       1.90857   0.00000  -0.00002   0.00013   0.00009   1.90867
   A267       1.89702  -0.00001   0.00016  -0.00007   0.00009   1.89711
   A268       1.91451   0.00002  -0.00030   0.00000  -0.00028   1.91423
   A269       1.91213   0.00000   0.00016  -0.00001   0.00015   1.91228
   A270       2.68371  -0.00004   0.00103  -0.00101   0.00001   2.68372
   A271       1.67981   0.00003  -0.00105   0.00088  -0.00017   1.67964
   A272       1.92583  -0.00001   0.00034   0.00018   0.00052   1.92634
   A273       1.91212   0.00001   0.00007   0.00013   0.00020   1.91232
   A274       1.91403   0.00000   0.00001  -0.00001   0.00001   1.91404
   A275       1.89448  -0.00003  -0.00012  -0.00024  -0.00037   1.89411
   A276       1.91064   0.00000  -0.00007   0.00000  -0.00006   1.91058
   A277       1.90653   0.00003  -0.00024  -0.00006  -0.00030   1.90622
   A278       1.82031   0.00002  -0.00150   0.00020  -0.00129   1.81902
   A279       1.74019   0.00002   0.00227   0.00130   0.00357   1.74376
   A280       2.18905   0.00002   0.00022   0.00019   0.00041   2.18946
   A281       2.13095  -0.00003  -0.00015  -0.00012  -0.00026   2.13069
   A282       1.96309   0.00001  -0.00007  -0.00006  -0.00014   1.96295
   A283       2.12476  -0.00002   0.00005  -0.00019  -0.00014   2.12462
   A284       2.11506  -0.00001  -0.00019   0.00000  -0.00018   2.11487
   A285       2.04082   0.00003   0.00015   0.00013   0.00027   2.04109
   A286       2.72028   0.00001   0.00292  -0.00270   0.00022   2.72049
   A287       1.63722   0.00000  -0.00291   0.00265  -0.00026   1.63695
   A288       1.92579   0.00000   0.00049   0.00002   0.00051   1.92630
   A289       1.91413   0.00001  -0.00040   0.00045   0.00006   1.91419
   A290       1.91220   0.00002  -0.00029  -0.00007  -0.00036   1.91184
   A291       1.89097   0.00000   0.00024  -0.00033  -0.00009   1.89089
   A292       1.91313  -0.00001   0.00007  -0.00005   0.00002   1.91314
   A293       1.90741  -0.00002  -0.00012  -0.00002  -0.00015   1.90727
   A294       1.35855  -0.00003  -0.00167  -0.00089  -0.00256   1.35599
   A295       1.15051   0.00001   0.00123   0.00071   0.00194   1.15245
   A296       1.93376   0.00000  -0.00002  -0.00002  -0.00004   1.93372
   A297       1.90801  -0.00001  -0.00003  -0.00012  -0.00014   1.90787
   A298       1.90149   0.00000   0.00019   0.00002   0.00020   1.90170
   A299       1.90892   0.00002  -0.00005  -0.00012  -0.00018   1.90874
   A300       1.89841  -0.00001  -0.00003   0.00000  -0.00003   1.89839
   A301       1.91314  -0.00001  -0.00007   0.00025   0.00019   1.91332
   A302       1.62176   0.00001  -0.00168  -0.00042  -0.00210   1.61966
   A303       1.82082   0.00005   0.00144   0.00111   0.00256   1.82337
   A304       2.18799   0.00004  -0.00007   0.00004  -0.00004   2.18795
   A305       2.13006  -0.00002   0.00021   0.00005   0.00026   2.13031
   A306       1.96475  -0.00002  -0.00012  -0.00008  -0.00020   1.96455
   A307       2.12533  -0.00006  -0.00008   0.00020   0.00014   2.12547
   A308       2.12367   0.00002   0.00001  -0.00022  -0.00022   2.12346
   A309       2.02980   0.00004  -0.00010   0.00010  -0.00002   2.02978
   A310       1.30407  -0.00002  -0.00025   0.00070   0.00045   1.30452
   A311       3.04476  -0.00001  -0.00040  -0.00059  -0.00099   3.04377
   A312       1.91216   0.00002   0.00026   0.00012   0.00037   1.91253
   A313       1.92795  -0.00001   0.00029  -0.00137  -0.00108   1.92687
   A314       1.90272  -0.00004  -0.00020  -0.00004  -0.00022   1.90250
   A315       1.91182   0.00002  -0.00010   0.00064   0.00054   1.91236
   A316       1.91230   0.00000  -0.00006   0.00007   0.00000   1.91230
   A317       1.89674   0.00001  -0.00020   0.00059   0.00039   1.89713
   A318       1.78736   0.00003   0.00108   0.00208   0.00316   1.79052
   A319       1.91557   0.00002   0.00010   0.00000   0.00010   1.91567
   A320       1.91430  -0.00005  -0.00020   0.00020  -0.00002   1.91428
   A321       1.91997   0.00002   0.00005  -0.00024  -0.00019   1.91978
   A322       1.90736   0.00004  -0.00019   0.00000  -0.00018   1.90718
   A323       1.91039  -0.00003   0.00021  -0.00005   0.00016   1.91055
   A324       1.89607   0.00000   0.00003   0.00010   0.00013   1.89620
   A325       2.93586  -0.00001   0.00021   0.00111   0.00131   2.93717
   A326       3.39419   0.00000   0.00333   0.00194   0.00529   3.39948
   A327       3.10872  -0.00001   0.00309   0.00191   0.00502   3.11373
   A328       3.21126   0.00001   0.00091   0.00550   0.00641   3.21766
   A329       3.25920   0.00000  -0.00268  -0.00151  -0.00419   3.25501
   A330       3.26747  -0.00001  -0.00172  -0.00101  -0.00273   3.26474
   A331       3.69775  -0.00001   0.00129   0.00203   0.00332   3.70107
   A332       3.27656   0.00001   0.00364   0.00229   0.00592   3.28249
   A333       2.93895   0.00000  -0.00236  -0.00085  -0.00320   2.93574
   A334       2.88255  -0.00001  -0.00199  -0.00069  -0.00267   2.87987
   A335       3.22777   0.00000  -0.00086   0.00230   0.00143   3.22920
   A336       3.07955  -0.00001   0.00119   0.00066   0.00186   3.08141
   A337       3.10400   0.00000   0.00044   0.00030   0.00074   3.10474
   A338       3.05327  -0.00001  -0.00030  -0.00022  -0.00052   3.05275
    D1        2.75904   0.00001   0.00034   0.00013   0.00047   2.75951
    D2       -1.35715   0.00001   0.00025  -0.00070  -0.00045  -1.35760
    D3        2.78562   0.00001   0.00026  -0.00004   0.00022   2.78584
    D4       -1.33058   0.00000   0.00018  -0.00087  -0.00070  -1.33127
    D5        1.65601   0.00002   0.00025   0.00075   0.00099   1.65700
    D6       -2.46019   0.00002   0.00016  -0.00009   0.00008  -2.46011
    D7        1.83252   0.00001  -0.00003  -0.00059  -0.00062   1.83189
    D8       -2.28367   0.00001  -0.00012  -0.00142  -0.00154  -2.28522
    D9        0.24333  -0.00001  -0.00417  -0.00165  -0.00585   0.23748
   D10        2.41032  -0.00001  -0.00426  -0.00249  -0.00677   2.40355
   D11       -0.02227   0.00000  -0.00330  -0.00206  -0.00536  -0.02763
   D12        2.14472   0.00000  -0.00339  -0.00290  -0.00628   2.13844
   D13       -0.49095   0.00000  -0.00338  -0.00234  -0.00570  -0.49665
   D14        1.67605   0.00000  -0.00346  -0.00317  -0.00662   1.66942
   D15       -0.59249   0.00000  -0.00211  -0.00196  -0.00406  -0.59656
   D16        1.57450   0.00000  -0.00220  -0.00279  -0.00498   1.56951
   D17        0.18071  -0.00001  -0.00217  -0.00215  -0.00432   0.17639
   D18        2.34770  -0.00002  -0.00226  -0.00299  -0.00524   2.34246
   D19        0.12431  -0.00002  -0.00180  -0.00199  -0.00379   0.12052
   D20        2.29130  -0.00002  -0.00189  -0.00283  -0.00471   2.28659
   D21        2.37652   0.00001  -0.00134  -0.00078  -0.00212   2.37439
   D22       -1.73968   0.00000  -0.00142  -0.00162  -0.00304  -1.74272
   D23        2.13863   0.00000  -0.00162  -0.00065  -0.00227   2.13636
   D24       -1.97756   0.00000  -0.00170  -0.00148  -0.00319  -1.98075
   D25        1.68961   0.00000  -0.00169  -0.00065  -0.00234   1.68727
   D26       -2.42658   0.00000  -0.00177  -0.00148  -0.00326  -2.42984
   D27        1.38113  -0.00001  -0.00175  -0.00076  -0.00252   1.37861
   D28       -2.73506  -0.00001  -0.00184  -0.00160  -0.00344  -2.73850
   D29        2.36140   0.00001  -0.00170  -0.00053  -0.00224   2.35916
   D30       -1.75479   0.00000  -0.00179  -0.00136  -0.00315  -1.75795
   D31       -1.73918   0.00001   0.00075  -0.00110  -0.00033  -1.73952
   D32        0.42781   0.00001   0.00066  -0.00193  -0.00125   0.42656
   D33       -2.09313   0.00000   0.00057  -0.00139  -0.00082  -2.09395
   D34        0.07386  -0.00001   0.00048  -0.00222  -0.00173   0.07213
   D35       -2.46690  -0.00001   0.00039  -0.00088  -0.00049  -2.46739
   D36       -0.29991  -0.00001   0.00031  -0.00171  -0.00141  -0.30131
   D37       -2.75824  -0.00001   0.00019  -0.00130  -0.00111  -2.75935
   D38       -0.59125  -0.00001   0.00010  -0.00214  -0.00203  -0.59328
   D39       -2.12346   0.00000   0.00054  -0.00237  -0.00183  -2.12529
   D40        0.04353   0.00000   0.00045  -0.00320  -0.00275   0.04078
   D41       -2.37020   0.00000   0.00043  -0.00289  -0.00247  -2.37266
   D42       -0.20321  -0.00001   0.00034  -0.00372  -0.00338  -0.20659
   D43        1.26234   0.00001  -0.00009   0.00006  -0.00003   1.26231
   D44       -1.96716   0.00001   0.00031  -0.00168  -0.00137  -1.96852
   D45        2.44719   0.00001  -0.00024   0.00040   0.00016   2.44735
   D46       -0.78231   0.00001   0.00016  -0.00134  -0.00118  -0.78349
   D47        2.92812   0.00001  -0.00045  -0.00041  -0.00087   2.92725
   D48       -0.30138   0.00002  -0.00006  -0.00214  -0.00220  -0.30358
   D49        2.89128  -0.00003   0.00060   0.00089   0.00153   2.89281
   D50       -0.33822  -0.00002   0.00099  -0.00084   0.00019  -0.33803
   D51        1.98464  -0.00001  -0.00487  -0.00250  -0.00745   1.97719
   D52       -1.24485  -0.00001  -0.00448  -0.00423  -0.00879  -1.25365
   D53        1.04947  -0.00001  -0.00734  -0.00508  -0.01237   1.03709
   D54       -2.18003  -0.00001  -0.00695  -0.00681  -0.01371  -2.19374
   D55        0.97030   0.00000  -0.00331  -0.00304  -0.00633   0.96397
   D56       -2.25920   0.00000  -0.00292  -0.00477  -0.00767  -2.26687
   D57        2.00342  -0.00002  -0.00214  -0.00201  -0.00416   1.99926
   D58       -1.22608  -0.00002  -0.00175  -0.00374  -0.00550  -1.23158
   D59        1.81448  -0.00003  -0.00183  -0.00175  -0.00357   1.81091
   D60       -1.41502  -0.00003  -0.00143  -0.00348  -0.00491  -1.41992
   D61       -2.30429   0.00001  -0.00166  -0.00097  -0.00263  -2.30692
   D62        0.74940   0.00001  -0.00127  -0.00270  -0.00397   0.74543
   D63       -2.42569   0.00001  -0.00148  -0.00069  -0.00218  -2.42786
   D64        0.62800   0.00001  -0.00109  -0.00242  -0.00352   0.62449
   D65       -2.82720   0.00000  -0.00151  -0.00067  -0.00219  -2.82938
   D66        0.22649   0.00001  -0.00112  -0.00241  -0.00353   0.22297
   D67       -2.99339  -0.00001  -0.00102  -0.00125  -0.00228  -2.99567
   D68        0.06030  -0.00001  -0.00063  -0.00299  -0.00362   0.05668
   D69       -2.13889   0.00001  -0.00117  -0.00042  -0.00159  -2.14048
   D70        0.91480   0.00001  -0.00077  -0.00215  -0.00293   0.91187
   D71       -0.16137   0.00001  -0.00106  -0.00310  -0.00416  -0.16553
   D72        2.89232   0.00001  -0.00067  -0.00483  -0.00550   2.88682
   D73       -0.56138  -0.00001  -0.00134  -0.00288  -0.00422  -0.56559
   D74        2.49231  -0.00001  -0.00095  -0.00461  -0.00556   2.48675
   D75       -0.72299  -0.00001  -0.00127  -0.00200  -0.00328  -0.72626
   D76        2.33070  -0.00001  -0.00088  -0.00374  -0.00462   2.32609
   D77       -1.06004  -0.00001  -0.00118  -0.00175  -0.00293  -1.06297
   D78        1.99365  -0.00001  -0.00079  -0.00348  -0.00427   1.98938
   D79       -0.85103   0.00000  -0.00160  -0.00345  -0.00505  -0.85608
   D80        2.20266   0.00000  -0.00120  -0.00518  -0.00639   2.19627
   D81       -1.15511   0.00000  -0.00172  -0.00333  -0.00505  -1.16016
   D82        1.89858   0.00000  -0.00133  -0.00506  -0.00639   1.89219
   D83       -1.52814   0.00002   0.00011   0.00265   0.00276  -1.52538
   D84       -2.60941   0.00001  -0.00001   0.00246   0.00245  -2.60696
   D85       -2.94220   0.00002  -0.00008   0.00225   0.00217  -2.94003
   D86        0.73070   0.00000  -0.00088   0.00219   0.00131   0.73201
   D87        0.29852   0.00001  -0.00144   0.00164   0.00021   0.29873
   D88       -0.10503   0.00000  -0.00286   0.00122  -0.00165  -0.10667
   D89       -0.43324   0.00000  -0.00244   0.00087  -0.00156  -0.43481
   D90        0.18787  -0.00001  -0.00080   0.00116   0.00037   0.18824
   D91       -0.04492  -0.00002  -0.00066   0.00129   0.00065  -0.04427
   D92        2.38865   0.00000  -0.00178   0.00132  -0.00045   2.38820
   D93        2.04641   0.00000  -0.00169   0.00154  -0.00015   2.04627
   D94        1.64647   0.00000  -0.00180   0.00129  -0.00051   1.64596
   D95        1.36489   0.00000  -0.00153   0.00111  -0.00042   1.36447
   D96        2.06116   0.00001  -0.00145   0.00198   0.00053   2.06168
   D97       -1.87119   0.00001   0.00016  -0.00080  -0.00064  -1.87183
   D98       -2.42296  -0.00002  -0.00120  -0.00193  -0.00316  -2.42612
   D99       -2.63873  -0.00001  -0.00111  -0.00001  -0.00113  -2.63986
   D100      -2.96901  -0.00001  -0.00133   0.00041  -0.00092  -2.96993
   D101      -2.91000   0.00000  -0.00329  -0.00475  -0.00806  -2.91807
   D102       2.83351   0.00001  -0.00395  -0.00305  -0.00700   2.82651
   D103      -2.83223   0.00001   0.00325  -0.00042   0.00286  -2.82938
   D104       1.26463   0.00000   0.00309  -0.00088   0.00223   1.26686
   D105       2.85382   0.00001   0.00199  -0.00131   0.00071   2.85453
   D106       0.66751   0.00000   0.00182  -0.00177   0.00008   0.66758
   D107       2.29767   0.00003  -0.00067  -0.00247  -0.00318   2.29449
   D108       0.11135   0.00002  -0.00084  -0.00293  -0.00381   0.10754
   D109       1.67765   0.00003  -0.00429  -0.00355  -0.00793   1.66972
   D110      -0.50867   0.00002  -0.00446  -0.00401  -0.00856  -0.51723
   D111       2.61415   0.00001   0.00051  -0.00194  -0.00143   2.61272
   D112       0.42783  -0.00001   0.00034  -0.00241  -0.00206   0.42577
   D113       2.27030   0.00000   0.00006  -0.00153  -0.00147   2.26883
   D114       0.08398  -0.00001  -0.00011  -0.00199  -0.00210   0.08188
   D115      -1.60867   0.00002   0.00073   0.00054   0.00129  -1.60737
   D116       2.48820   0.00001   0.00056   0.00008   0.00066   2.48886
   D117      -1.77120   0.00000   0.00002   0.00009   0.00013  -1.77107
   D118       2.32567  -0.00001  -0.00014  -0.00037  -0.00050   2.32517
   D119      -2.73528   0.00002   0.00011   0.00035   0.00045  -2.73483
   D120       1.36159   0.00001  -0.00005  -0.00011  -0.00018   1.36141
   D121      -2.69160   0.00003   0.00045   0.00001   0.00045  -2.69115
   D122       1.40527   0.00001   0.00028  -0.00045  -0.00018   1.40509
   D123       1.34493   0.00000   0.00012  -0.00121  -0.00109   1.34384
   D124      -0.84139  -0.00001  -0.00005  -0.00167  -0.00171  -0.84310
   D125       1.32601   0.00000   0.00131  -0.00081   0.00050   1.32651
   D126      -0.86031  -0.00002   0.00114  -0.00127  -0.00013  -0.86044
   D127       1.68907   0.00000   0.00198  -0.00057   0.00141   1.69048
   D128      -0.49725  -0.00001   0.00181  -0.00103   0.00078  -0.49647
   D129       1.81244   0.00001   0.00202   0.00065   0.00267   1.81510
   D130      -0.37388   0.00000   0.00186   0.00019   0.00204  -0.37184
   D131       0.93232   0.00000   0.00169  -0.00071   0.00098   0.93330
   D132      -1.25400  -0.00002   0.00152  -0.00117   0.00035  -1.25365
   D133      -0.93473   0.00000   0.00118   0.00172   0.00287  -0.93186
   D134      -3.12105  -0.00002   0.00101   0.00125   0.00224  -3.11881
   D135      -0.51842   0.00002   0.00072   0.00112   0.00183  -0.51659
   D136      -2.70474   0.00001   0.00055   0.00065   0.00120  -2.70354
   D137      -0.25573   0.00001  -0.00054  -0.00001  -0.00052  -0.25625
   D138      -2.44205   0.00000  -0.00071  -0.00047  -0.00115  -2.44320
   D139       0.13945   0.00001  -0.00154  -0.00059  -0.00210   0.13735
   D140      -2.04687   0.00000  -0.00171  -0.00106  -0.00273  -2.04960
   D141      -0.29092   0.00001   0.00097   0.00135   0.00233  -0.28860
   D142      -2.47724   0.00000   0.00080   0.00089   0.00170  -2.47555
   D143      -0.03368   0.00001   0.00115   0.00118   0.00234  -0.03135
   D144      -2.22000   0.00000   0.00098   0.00071   0.00171  -2.21830
   D145      -2.40959   0.00000   0.00402   0.00107   0.00508  -2.40451
   D146      -2.63537  -0.00001   0.00566   0.00180   0.00747  -2.62790
   D147      -2.26371   0.00001   0.00898   0.00463   0.01357  -2.25015
   D148       3.07785   0.00000   0.00443   0.00075   0.00520   3.08305
   D149       2.69012  -0.00001   0.00388  -0.00034   0.00355   2.69367
   D150       1.51665   0.00001   0.00145   0.00095   0.00242   1.51906
   D151       2.61805   0.00001   0.00132   0.00091   0.00221   2.62026
   D152       2.99757   0.00003   0.00149   0.00064   0.00212   2.99969
   D153       1.20327  -0.00002   0.00035  -0.00190  -0.00154   1.20173
   D154       1.27340  -0.00001   0.00207  -0.00065   0.00141   1.27481
   D155       1.67211  -0.00001   0.00282  -0.00008   0.00274   1.67485
   D156       1.74096   0.00001   0.00267   0.00125   0.00392   1.74488
   D157       0.92541  -0.00001   0.00269  -0.00011   0.00258   0.92799
   D158      -0.93886  -0.00001   0.00423   0.00348   0.00771  -0.93116
   D159      -0.61496   0.00002   0.00459   0.00324   0.00783  -0.60713
   D160      -0.66801   0.00001   0.00433   0.00277   0.00710  -0.66091
   D161      -0.37722   0.00001   0.00364   0.00199   0.00565  -0.37158
   D162      -0.22896   0.00000   0.00497   0.00340   0.00838  -0.22058
   D163       0.04682   0.00000   0.00492   0.00333   0.00826   0.05508
   D164      -1.23642   0.00000   0.00293   0.00115   0.00409  -1.23233
   D165       1.70825  -0.00001   0.00174  -0.00007   0.00167   1.70992
   D166      -1.60657   0.00000   0.00314   0.00126   0.00441  -1.60216
   D167       1.33810  -0.00001   0.00195   0.00004   0.00200   1.34010
   D168      -1.68115   0.00002   0.00385   0.00218   0.00605  -1.67510
   D169       1.26351   0.00001   0.00266   0.00096   0.00364   1.26715
   D170      -1.94636   0.00003   0.00353   0.00214   0.00569  -1.94067
   D171       0.99831   0.00002   0.00235   0.00092   0.00328   1.00158
   D172      -1.95981   0.00000   0.00265   0.00085   0.00351  -1.95630
   D173       0.98486  -0.00001   0.00147  -0.00038   0.00110   0.98595
   D174      -2.26473   0.00000   0.00261   0.00086   0.00347  -2.26125
   D175       0.67994  -0.00001   0.00142  -0.00036   0.00106   0.68100
   D176       1.97260   0.00001   0.00063   0.00163   0.00226   1.97486
   D177      -1.36592   0.00000  -0.00056   0.00040  -0.00015  -1.36607
   D178       0.82807   0.00001   0.00101   0.00180   0.00281   0.83088
   D179      -2.51044   0.00000  -0.00018   0.00058   0.00039  -2.51005
   D180       0.36359  -0.00001   0.00069   0.00157   0.00227   0.36586
   D181      -2.97493  -0.00002  -0.00050   0.00035  -0.00014  -2.97507
   D182      -3.08640  -0.00001   0.00088   0.00033   0.00121  -3.08519
   D183      -0.14173  -0.00002  -0.00030  -0.00089  -0.00120  -0.14293
   D184       2.93696  -0.00001   0.00182   0.00077   0.00260   2.93956
   D185      -0.40156  -0.00002   0.00063  -0.00045   0.00019  -0.40137
   D186       3.09672   0.00000   0.00277   0.00136   0.00414   3.10086
   D187      -0.24180  -0.00001   0.00158   0.00014   0.00173  -0.24007
   D188       2.99739   0.00001   0.00262   0.00271   0.00534   3.00273
   D189      -0.34113   0.00000   0.00143   0.00148   0.00293  -0.33820
   D190       2.49241  -0.00001   0.00178   0.00058   0.00237   2.49478
   D191      -0.84611  -0.00002   0.00059  -0.00064  -0.00004  -0.84615
   D192       0.40760   0.00000   0.00514   0.00500   0.01012   0.41772
   D193      -2.93091  -0.00001   0.00395   0.00377   0.00771  -2.92320
   D194       0.71389   0.00002   0.00546   0.00490   0.01034   0.72423
   D195      -2.62463   0.00001   0.00427   0.00367   0.00793  -2.61670
   D196       0.54765   0.00000   0.00822   0.00621   0.01435   0.56201
   D197      -2.79087  -0.00001   0.00703   0.00499   0.01194  -2.77892
   D198       1.15753   0.00000   0.00415   0.00413   0.00828   1.16581
   D199      -2.18099  -0.00001   0.00296   0.00290   0.00587  -2.17512
   D200       1.47783   0.00000   0.00337   0.00352   0.00689   1.48472
   D201      -1.86069  -0.00001   0.00218   0.00229   0.00448  -1.85621
   D202       1.59619  -0.00001  -0.00029  -0.00020  -0.00049   1.59570
   D203      -0.61790   0.00000  -0.00054  -0.00074  -0.00128  -0.61918
   D204       1.65906   0.00000  -0.00094  -0.00051  -0.00145   1.65761
   D205      -0.55503   0.00000  -0.00119  -0.00104  -0.00224  -0.55727
   D206       1.32815  -0.00001  -0.00132  -0.00081  -0.00214   1.32602
   D207      -0.88594   0.00000  -0.00158  -0.00135  -0.00292  -0.88886
   D208       1.15277   0.00000  -0.00162  -0.00090  -0.00251   1.15026
   D209      -1.06132   0.00001  -0.00188  -0.00143  -0.00330  -1.06462
   D210       2.08756  -0.00002  -0.00123  -0.00094  -0.00217   2.08539
   D211      -0.12653  -0.00001  -0.00149  -0.00147  -0.00296  -0.12949
   D212       2.20192  -0.00002  -0.00168  -0.00018  -0.00186   2.20006
   D213      -0.01217  -0.00001  -0.00193  -0.00072  -0.00265  -0.01482
   D214      -2.19308  -0.00002   0.00227   0.00091   0.00317  -2.18991
   D215       1.87601  -0.00001   0.00202   0.00038   0.00239   1.87840
   D216      -2.36865   0.00000   0.00240   0.00160   0.00400  -2.36465
   D217       1.70045   0.00001   0.00215   0.00107   0.00321   1.70366
   D218      -1.98305   0.00000   0.00301   0.00278   0.00578  -1.97728
   D219       2.08604   0.00001   0.00275   0.00224   0.00499   2.09103
   D220      -2.12411   0.00000   0.00208   0.00440   0.00649  -2.11761
   D221       1.94499   0.00001   0.00183   0.00387   0.00571   1.95069
   D222      -2.86572   0.00000   0.00205   0.00129   0.00336  -2.86236
   D223       1.20338   0.00000   0.00180   0.00075   0.00257   1.20594
   D224       3.07865  -0.00002   0.00185   0.00102   0.00289   3.08154
   D225       0.86456  -0.00001   0.00160   0.00048   0.00210   0.86666
   D226      -2.70962  -0.00002  -0.00091  -0.00030  -0.00121  -2.71083
   D227       1.35947  -0.00001  -0.00116  -0.00084  -0.00200   1.35748
   D228      -2.64317  -0.00003   0.00008  -0.00130  -0.00123  -2.64440
   D229       1.42592  -0.00002  -0.00017  -0.00184  -0.00202   1.42390
   D230      -1.56063  -0.00001  -0.00064   0.00005  -0.00059  -1.56122
   D231       2.50846   0.00000  -0.00089  -0.00049  -0.00138   2.50709
   D232      -0.12346  -0.00001  -0.00372  -0.00402  -0.00774  -0.13120
   D233      -2.33755  -0.00001  -0.00397  -0.00455  -0.00853  -2.34608
   D234      -0.24644  -0.00003  -0.00308  -0.00283  -0.00592  -0.25236
   D235      -2.46053  -0.00002  -0.00334  -0.00337  -0.00671  -2.46724
   D236       0.04244  -0.00001  -0.00254  -0.00216  -0.00471   0.03774
   D237      -2.17165   0.00000  -0.00279  -0.00269  -0.00550  -2.17714
   D238      -0.05349  -0.00002  -0.00229  -0.00125  -0.00354  -0.05703
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   D240      -0.63307  -0.00002  -0.00286  -0.00241  -0.00528  -0.63835
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   D246      -3.13821   0.00001  -0.00073   0.00113   0.00040  -3.13781
   D247      -0.23777   0.00001  -0.00078   0.00084   0.00006  -0.23771
   D248       2.75405   0.00001  -0.00088   0.00116   0.00028   2.75433
   D249      -0.62870   0.00001  -0.00093   0.00087  -0.00006  -0.62876
   D250       2.51440   0.00001  -0.00108   0.00121   0.00013   2.51454
   D251      -0.86834   0.00001  -0.00114   0.00092  -0.00021  -0.86855
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   D260      -0.73046   0.00001   0.00100   0.00338   0.00438  -0.72607
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   D263       1.95212   0.00000  -0.00027   0.00289   0.00263   1.95475
   D264      -1.28926   0.00001   0.00138   0.00295   0.00434  -1.28492
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   D266      -1.53299   0.00000   0.00105   0.00283   0.00388  -1.52910
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   D268       1.98267   0.00000  -0.00111   0.00153   0.00042   1.98309
   D269      -1.40007   0.00000  -0.00116   0.00123   0.00007  -1.40000
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   D277      -1.84578   0.00001  -0.00338  -0.00063  -0.00403  -1.84981
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   D279      -1.84484   0.00000  -0.00274   0.00059  -0.00216  -1.84700
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   D282       0.75590   0.00001  -0.00273   0.00063  -0.00210   0.75379
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   D287      -2.60995   0.00001   0.00081   0.00030   0.00111  -2.60884
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   D289      -2.92568   0.00000   0.00029   0.00014   0.00043  -2.92525
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   D291      -3.01736   0.00000   0.00004   0.00018   0.00023  -3.01714
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   D300      -1.86986   0.00000   0.00291   0.00196   0.00487  -1.86499
   D301       0.19300   0.00001   0.00327   0.00247   0.00574   0.19873
   D302      -1.81884   0.00000   0.00178   0.00188   0.00367  -1.81517
   D303       0.24402   0.00001   0.00214   0.00239   0.00454   0.24855
   D304      -2.60871   0.00001   0.00268   0.00197   0.00465  -2.60406
   D305      -0.54586   0.00002   0.00304   0.00248   0.00552  -0.54034
   D306      -2.73812   0.00001   0.00263   0.00198   0.00461  -2.73351
   D307      -0.67526   0.00002   0.00300   0.00248   0.00548  -0.66978
   D308       1.52509   0.00000   0.00073   0.00043   0.00116   1.52625
   D309      -2.69524   0.00000   0.00109   0.00093   0.00203  -2.69321
   D310       2.62872  -0.00001   0.00062   0.00015   0.00078   2.62949
   D311      -1.59161  -0.00001   0.00098   0.00066   0.00165  -1.58997
   D312       3.02010  -0.00001   0.00129  -0.00061   0.00068   3.02079
   D313      -1.20023  -0.00001   0.00165  -0.00010   0.00155  -1.19867
   D314      -0.53225  -0.00001  -0.00238  -0.00148  -0.00386  -0.53611
   D315       1.53061   0.00000  -0.00201  -0.00098  -0.00299   1.52762
   D316      -0.36596  -0.00001  -0.00184  -0.00108  -0.00292  -0.36888
   D317       1.69689  -0.00001  -0.00148  -0.00057  -0.00205   1.69484
   D318       0.06275   0.00001  -0.00160  -0.00098  -0.00258   0.06017
   D319       2.12561   0.00001  -0.00124  -0.00047  -0.00171   2.12390
   D320       0.20180   0.00001  -0.00130  -0.00004  -0.00135   0.20046
   D321       2.26466   0.00001  -0.00094   0.00046  -0.00048   2.26418
   D322      -0.60789   0.00000  -0.00146  -0.00072  -0.00218  -0.61008
   D323       1.45496   0.00000  -0.00110  -0.00021  -0.00131   1.45365
   D324      -0.64838   0.00001  -0.00157  -0.00131  -0.00289  -0.65127
   D325       1.41448   0.00001  -0.00121  -0.00080  -0.00202   1.41246
   D326       0.10303   0.00000  -0.00036   0.00124   0.00088   0.10391
   D327       2.26980   0.00000  -0.00037   0.00141   0.00103   2.27083
   D328       0.40448   0.00000  -0.00027   0.00197   0.00170   0.40619
   D329       2.57126   0.00000  -0.00028   0.00213   0.00185   2.57311
   D330       0.78046   0.00000  -0.00007   0.00169   0.00162   0.78209
   D331       2.94724   0.00000  -0.00008   0.00185   0.00177   2.94901
   D332       1.06250  -0.00001   0.00012   0.00171   0.00182   1.06432
   D333      -3.05391  -0.00001   0.00011   0.00187   0.00197  -3.05194
   D334       0.32867   0.00001  -0.00037   0.00349   0.00312   0.33179
   D335       2.49544   0.00000  -0.00038   0.00365   0.00327   2.49872
   D336       0.72221   0.00001   0.00043   0.00447   0.00492   0.72713
   D337       2.88899   0.00000   0.00042   0.00463   0.00507   2.89405
   D338      -2.32384   0.00001  -0.00110  -0.00014  -0.00123  -2.32507
   D339      -0.15707   0.00001  -0.00112   0.00002  -0.00108  -0.15814
   D340      -1.94853   0.00000  -0.00126  -0.00014  -0.00139  -1.94992
   D341       0.21825   0.00000  -0.00128   0.00002  -0.00124   0.21700
   D342      -1.87974   0.00000  -0.00015   0.00087   0.00074  -1.87900
   D343       0.28704   0.00000  -0.00016   0.00103   0.00089   0.28792
   D344      -1.56372   0.00001   0.00117   0.00166   0.00284  -1.56089
   D345       0.60305   0.00001   0.00115   0.00182   0.00298   0.60604
   D346      -1.59731   0.00001  -0.00227  -0.00096  -0.00322  -1.60052
   D347       0.56947   0.00000  -0.00228  -0.00080  -0.00307   0.56640
   D348      -1.29526   0.00002  -0.00216  -0.00083  -0.00298  -1.29824
   D349       0.87152   0.00001  -0.00217  -0.00066  -0.00283   0.86868
   D350       1.89487   0.00001   0.00226   0.00316   0.00543   1.90030
   D351      -2.22154   0.00001   0.00225   0.00333   0.00557  -2.21596
   D352       2.34917   0.00002   0.00301   0.00295   0.00595   2.35512
   D353      -1.76724   0.00001   0.00299   0.00311   0.00610  -1.76114
   D354       2.66930   0.00001   0.00572   0.00367   0.00937   2.67867
   D355      -1.44711   0.00000   0.00571   0.00384   0.00952  -1.43759
   D356      -3.00045   0.00003   0.00395   0.00050   0.00442  -2.99603
   D357      -0.83367   0.00002   0.00394   0.00066   0.00457  -0.82910
   D358       2.64304   0.00001   0.00170   0.00159   0.00328   2.64632
   D359      -1.47337   0.00001   0.00168   0.00176   0.00343  -1.46993
   D360       1.64623   0.00001   0.00052   0.00030   0.00083   1.64706
   D361      -2.47018   0.00001   0.00051   0.00046   0.00098  -2.46920
   D362       1.82049   0.00001   0.00071   0.00023   0.00094   1.82144
   D363      -2.29591   0.00001   0.00070   0.00040   0.00109  -2.29482
   D364       2.75424   0.00000   0.00030   0.00040   0.00069   2.75493
   D365      -1.36217   0.00000   0.00028   0.00056   0.00084  -1.36133
   D366       2.75684  -0.00001   0.00084   0.00125   0.00209   2.75893
   D367      -1.35957  -0.00001   0.00083   0.00141   0.00224  -1.35733
   D368       0.07785   0.00000   0.00058   0.00316   0.00373   0.08158
   D369      -2.37697   0.00000   0.01116  -0.01105   0.00011  -2.37686
   D370       0.47768   0.00000   0.00062   0.00331   0.00393   0.48160
   D371      -1.97714   0.00000   0.01120  -0.01090   0.00030  -1.97684
   D372       0.69621  -0.00001   0.00032   0.00250   0.00282   0.69903
   D373      -1.75861  -0.00001   0.01090  -0.01170  -0.00080  -1.75941
   D374       0.96606  -0.00002   0.00010   0.00211   0.00219   0.96824
   D375      -1.48876  -0.00002   0.01068  -0.01210  -0.00143  -1.49020
   D376       0.71594   0.00001   0.00105   0.00416   0.00521   0.72115
   D377      -1.73888   0.00001   0.01163  -0.01005   0.00158  -1.73729
   D378       1.05985   0.00001   0.00120   0.00393   0.00513   1.06497
   D379      -1.39497   0.00001   0.01179  -0.01028   0.00150  -1.39347
   D380      -2.68431   0.00000   0.00234   0.00251   0.00481  -2.67950
   D381       1.14405   0.00000   0.01292  -0.01169   0.00119   1.14524
   D382      -2.16954  -0.00001   0.00000   0.00111   0.00111  -2.16843
   D383       1.65883  -0.00001   0.01059  -0.01309  -0.00251   1.65631
   D384      -1.92736   0.00000   0.00050   0.00144   0.00194  -1.92543
   D385       1.90100  -0.00001   0.01108  -0.01276  -0.00168   1.89932
   D386      -1.59945   0.00000   0.00065   0.00152   0.00216  -1.59729
   D387       2.22891   0.00000   0.01123  -0.01269  -0.00146   2.22745
   D388      -1.73311   0.00000  -0.00467  -0.00174  -0.00633  -1.73944
   D389       2.09526   0.00000   0.00591  -0.01595  -0.00996   2.08530
   D390      -1.17568   0.00002  -0.00550  -0.00200  -0.00749  -1.18317
   D391       2.65269   0.00001   0.00508  -0.01620  -0.01112   2.64157
   D392       1.81637   0.00001   0.00109   0.00271   0.00380   1.82016
   D393      -0.63845   0.00000   0.01168  -0.01150   0.00017  -0.63828
   D394       2.12701   0.00001   0.00147   0.00304   0.00450   2.13151
   D395      -0.32781   0.00001   0.01205  -0.01117   0.00088  -0.32693
   D396       2.09809   0.00000   0.00240   0.00382   0.00623   2.10432
   D397      -0.35673   0.00000   0.01298  -0.01038   0.00261  -0.35412
   D398       2.33411  -0.00001   0.00415   0.00325   0.00741   2.34151
   D399      -0.12071  -0.00001   0.01473  -0.01096   0.00378  -0.11693
   D400       2.51751   0.00001   0.00121   0.00288   0.00408   2.52159
   D401       0.06269   0.00001   0.01180  -0.01132   0.00046   0.06315
   D402      -1.53423   0.00001  -0.00011   0.00016   0.00004  -1.53419
   D403       2.29413   0.00001   0.01047  -0.01405  -0.00358   2.29055
   D404      -2.62988   0.00001  -0.00001   0.00041   0.00040  -2.62948
   D405       1.19848   0.00001   0.01057  -0.01379  -0.00322   1.19526
   D406      -2.97872   0.00000   0.00036   0.00113   0.00149  -2.97723
   D407       0.84965   0.00000   0.01094  -0.01307  -0.00213   0.84752
   D408       1.92454   0.00000  -0.00040   0.00138   0.00099   1.92553
   D409       2.42717   0.00001   0.00057   0.00273   0.00331   2.43048
   D410       2.66140   0.00000   0.00038   0.00119   0.00158   2.66298
   D411       2.89175  -0.00001   0.00031   0.00062   0.00092   2.89267
   D412       2.86701   0.00000   0.00276   0.00601   0.00878   2.87579
   D413      -2.91115   0.00000   0.00273   0.00399   0.00670  -2.90445
   D414      -0.71176   0.00001   0.00146   0.00048   0.00194  -0.70982
   D415      -0.33608   0.00000   0.00117   0.00022   0.00139  -0.33469
   D416      -0.00920   0.00000   0.00210   0.00082   0.00294  -0.00626
   D417       0.29610   0.00000   0.00184   0.00055   0.00239   0.29849
   D418      -0.22501   0.00001  -0.00017  -0.00075  -0.00092  -0.22593
   D419       0.06937   0.00002  -0.00128  -0.00176  -0.00304   0.06633
   D420      -2.52745   0.00000   0.00153   0.00045   0.00197  -2.52548
   D421      -2.14617   0.00000   0.00145   0.00023   0.00167  -2.14450
   D422      -1.88363   0.00000   0.00214   0.00045   0.00258  -1.88104
   D423      -1.56553   0.00000   0.00228  -0.00005   0.00223  -1.56331
   D424      -1.95020   0.00000   0.00070  -0.00011   0.00058  -1.94962
   D425       1.30188  -0.00001  -0.00063  -0.00106  -0.00170   1.30018
   D426       2.47234   0.00001  -0.00019  -0.00106  -0.00125   2.47109
   D427       2.94901   0.00001  -0.00001  -0.00115  -0.00117   2.94784
   D428      -3.05943   0.00008   0.00064   0.00232   0.00296  -3.05647
   D429       0.02558   0.00005   0.00219  -0.00108   0.00110   0.02668
   D430       0.05327   0.00001   0.00069   0.00168   0.00237   0.05564
   D431       3.13828  -0.00002   0.00224  -0.00172   0.00051   3.13879
   D432      -0.11236   0.00000   0.00048  -0.00280  -0.00233  -0.11469
   D433       1.98690  -0.00002   0.00077  -0.00267  -0.00189   1.98501
   D434      -2.20901  -0.00001   0.00039  -0.00282  -0.00243  -2.21144
   D435       3.08299   0.00003  -0.00100   0.00040  -0.00059   3.08240
   D436      -1.10093   0.00001  -0.00070   0.00054  -0.00016  -1.10109
   D437       0.98635   0.00002  -0.00108   0.00039  -0.00069   0.98566
   D438      -2.36711   0.00004  -0.00061   0.00837   0.00776  -2.35935
   D439      -0.27752   0.00004  -0.00047   0.00885   0.00838  -0.26915
   D440       1.83025   0.00003  -0.00061   0.00888   0.00827   1.83852
   D441       0.72062   0.00001   0.00086   0.00514   0.00600   0.72662
   D442       2.81021   0.00001   0.00100   0.00562   0.00662   2.81683
   D443      -1.36520   0.00000   0.00086   0.00565   0.00651  -1.35869
   D444       0.00311  -0.00002   0.00074  -0.00048   0.00027   0.00338
   D445       3.11172  -0.00002   0.00109  -0.00012   0.00097   3.11269
   D446      -3.11615   0.00003   0.00084  -0.00062   0.00022  -3.11592
   D447      -0.00754   0.00003   0.00119  -0.00027   0.00093  -0.00662
   D448       2.43055   0.00001   0.00392   0.00245   0.00638   2.43693
   D449      -1.76880  -0.00001   0.00411   0.00233   0.00644  -1.76236
   D450       0.33874   0.00000   0.00437   0.00249   0.00686   0.34560
   D451      -0.67961   0.00001   0.00361   0.00212   0.00573  -0.67389
   D452       1.40422  -0.00001   0.00380   0.00200   0.00579   1.41001
   D453      -2.77142   0.00000   0.00405   0.00215   0.00620  -2.76521
   D454       2.04142   0.00004  -0.00170   0.00086  -0.00085   2.04057
   D455      -2.15695   0.00000  -0.00160   0.00076  -0.00086  -2.15781
   D456      -0.06459   0.00004  -0.00185   0.00075  -0.00110  -0.06570
   D457      -1.13160   0.00004  -0.00139   0.00120  -0.00020  -1.13180
   D458       0.95321   0.00000  -0.00129   0.00109  -0.00021   0.95300
   D459       3.04557   0.00004  -0.00153   0.00109  -0.00045   3.04512
   D460      -3.08286   0.00002  -0.00206   0.00028  -0.00179  -3.08465
   D461      -0.02028   0.00002  -0.00187  -0.00066  -0.00253  -0.02281
   D462       0.07302  -0.00001  -0.00233  -0.00045  -0.00278   0.07023
   D463       3.13560  -0.00002  -0.00214  -0.00139  -0.00353   3.13207
   D464       1.91589  -0.00001  -0.00354   0.00171  -0.00182   1.91407
   D465      -2.28557   0.00000  -0.00318   0.00160  -0.00158  -2.28714
   D466      -0.19200  -0.00002  -0.00375   0.00181  -0.00194  -0.19395
   D467      -1.14989  -0.00001  -0.00371   0.00262  -0.00109  -1.15098
   D468       0.93184   0.00001  -0.00336   0.00251  -0.00085   0.93099
   D469       3.02540  -0.00001  -0.00393   0.00272  -0.00121   3.02419
   D470      -1.63860   0.00001   0.00193   0.00210   0.00403  -1.63457
   D471       0.46642   0.00003   0.00184   0.00185   0.00370   0.47011
   D472       2.55674   0.00002   0.00186   0.00210   0.00396   2.56070
   D473       1.42763   0.00000   0.00212   0.00119   0.00331   1.43094
   D474      -2.75054   0.00002   0.00202   0.00094   0.00297  -2.74757
   D475      -0.66021   0.00001   0.00204   0.00118   0.00323  -0.65698
   D476       0.01293  -0.00001  -0.00021   0.00121   0.00099   0.01393
   D477      -3.02448  -0.00002   0.00179   0.00032   0.00211  -3.02238
   D478       3.12475   0.00003   0.00022   0.00139   0.00161   3.12636
   D479       0.08734   0.00003   0.00222   0.00050   0.00272   0.09006
   D480      -0.28369  -0.00001   0.00177   0.00019   0.00196  -0.28173
   D481       1.82394   0.00002   0.00200   0.00018   0.00218   1.82612
   D482      -2.37622   0.00000   0.00180   0.00006   0.00187  -2.37435
   D483       2.75903  -0.00001  -0.00013   0.00101   0.00089   2.75992
   D484      -1.41653   0.00003   0.00010   0.00101   0.00111  -1.41542
   D485       0.66650   0.00001  -0.00009   0.00088   0.00080   0.66730
   D486      -0.10435  -0.00001  -0.00214  -0.00160  -0.00374  -0.10809
   D487       1.99134   0.00002  -0.00243  -0.00148  -0.00392   1.98743
   D488      -2.20733   0.00000  -0.00249  -0.00139  -0.00388  -2.21121
   D489       3.13602  -0.00001  -0.00024  -0.00245  -0.00269   3.13332
   D490      -1.05148   0.00001  -0.00054  -0.00234  -0.00287  -1.05435
   D491       1.03304   0.00000  -0.00059  -0.00224  -0.00284   1.03020
         Item               Value     Threshold  Converged?
 Maximum Force            0.000141     0.000450     YES
 RMS     Force            0.000017     0.000300     YES
 Maximum Displacement     0.033999     0.001800     NO 
 RMS     Displacement     0.004166     0.001200     NO 
 Predicted change in Energy=-4.260167D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:30:59 2016, MaxMem=  2952790016 cpu:         8.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.785496   -0.577833    1.630470
      2          6           0       -2.044805    1.132498   -1.395511
      3          8           0       -2.575394    0.153196   -1.947975
      4          7           0       -0.756030    1.193609   -0.962554
      5          1           0       -2.609729    2.060877   -1.176858
      6          6           0       -0.247856    2.352671   -0.228034
      7          1           0       -1.011444    3.142764   -0.211432
      8          1           0        0.001778    2.063085    0.805642
      9          1           0        0.662502    2.735521   -0.717139
     10          6           0        0.173100    0.075366   -1.143475
     11          1           0        0.730091   -0.088025   -0.207783
     12          1           0       -0.392265   -0.831382   -1.395202
     13          1           0        0.892207    0.299423   -1.948575
     14          6           0       -2.084469   -3.936504    2.710140
     15          8           0       -2.239583   -3.734521    3.926479
     16          7           0       -2.986890   -3.634534    1.737321
     17          1           0       -1.152862   -4.376334    2.301502
     18          6           0       -4.276699   -3.013399    2.051315
     19          1           0       -4.500323   -2.251455    1.288503
     20          1           0       -5.082505   -3.766338    2.045765
     21          1           0       -4.221832   -2.541117    3.040371
     22          6           0       -2.700453   -3.877591    0.322919
     23          1           0       -3.406585   -4.616543   -0.090154
     24          1           0       -2.807177   -2.936890   -0.242483
     25          1           0       -1.672958   -4.251373    0.212579
     26          6           0        1.608508    0.359689    2.569497
     27          8           0        1.463200    1.386017    3.254744
     28          7           0        1.206477   -0.890835    2.925874
     29          1           0        2.083707    0.382618    1.568990
     30          6           0        1.481759   -2.056962    2.084884
     31          1           0        2.235756   -2.705256    2.562327
     32          1           0        0.557883   -2.642189    1.948029
     33          1           0        1.849109   -1.724340    1.104203
     34          6           0        0.564409   -1.141376    4.218734
     35          1           0        1.309158   -1.447728    4.973159
     36          1           0        0.059300   -0.227458    4.556288
     37          1           0       -0.172505   -1.948543    4.101072
     38          6           0       -4.607053    0.978308    2.897662
     39          8           0       -4.858760    1.537704    1.816176
     40          7           0       -3.552223    1.268130    3.707697
     41          1           0       -5.228620    0.148528    3.289432
     42          6           0       -2.587754    2.319882    3.372719
     43          1           0       -2.685471    2.584286    2.311852
     44          1           0       -2.762796    3.213772    3.993708
     45          1           0       -1.569952    1.948364    3.567865
     46          6           0       -3.247669    0.461915    4.890635
     47          1           0       -4.039840   -0.283190    5.046306
     48          1           0       -2.283164   -0.055853    4.749346
     49          1           0       -3.173012    1.109476    5.778866
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485547   0.000000
     3  O    3.736791   1.243292   0.000000
     4  N    3.304782   1.360929   2.315945   0.000000
     5  H    3.939954   1.108529   2.057923   2.057737   0.000000
     6  C    3.795554   2.465938   3.635013   1.463278   2.562002
     7  H    4.223103   2.551676   3.794607   2.104430   2.158018
     8  H    3.293803   3.146358   4.227516   2.111108   3.278762
     9  H    4.741548   3.218599   4.320571   2.109491   3.372533
    10  C    3.457967   2.469849   2.864873   1.465088   3.418700
    11  H    3.153928   3.255829   3.743353   2.102575   4.087944
    12  H    3.340669   2.566654   2.457845   2.102403   3.651024
    13  H    4.555133   3.102569   3.470683   2.118606   3.995225
    14  C    3.540586   6.523245   6.218093   6.447597   7.166117
    15  O    3.929699   7.214527   7.052398   7.098595   7.730957
    16  N    3.286060   5.781588   5.300720   5.964649   6.408775
    17  H    3.908851   6.694080   6.371679   6.468061   7.460505
    18  C    3.509300   5.835274   5.377367   6.259188   6.240846
    19  H    3.207529   4.968364   4.467940   5.563764   5.314937
    20  H    4.605356   6.713315   6.131746   7.236674   7.103263
    21  H    3.431915   6.157268   5.903700   6.479459   6.446879
    22  C    3.665411   5.337028   4.628157   5.581245   6.125599
    23  H    4.679707   6.050610   5.185825   6.445494   6.812036
    24  H    3.180714   4.297745   3.537097   4.667627   5.088194
    25  H    3.939287   5.631190   4.988248   5.645311   6.530894
    26  C    3.644171   5.446579   6.160782   4.331495   5.892600
    27  O    4.129043   5.830543   6.700624   4.769444   6.056672
    28  N    3.275353   5.774000   6.256752   4.828686   6.333122
    29  H    3.987102   5.137626   5.841995   3.889798   5.690745
    30  C    3.615144   5.892576   6.132637   4.986060   6.658516
    31  H    4.643787   6.979688   7.187541   6.047869   7.757336
    32  H    3.139081   5.674637   5.728040   4.991113   6.474373
    33  H    3.847310   5.438076   5.693608   4.424101   6.277926
    34  C    3.541009   6.595321   7.040070   5.834506   7.031500
    35  H    4.637583   7.646345   8.096592   6.817210   8.092632
    36  H    3.476557   6.457604   7.027940   5.756893   6.725262
    37  H    3.253377   6.573488   6.839748   5.987815   7.062015
    38  C    3.462446   5.002022   5.318707   5.456923   4.665080
    39  O    3.735631   4.289227   4.615133   4.967106   3.780225
    40  N    3.292988   5.322916   5.846699   5.443849   5.037422
    41  H    3.890355   5.749224   5.871121   6.259046   5.519367
    42  C    3.475025   4.943753   5.744951   4.839245   4.556996
    43  H    3.357564   4.032702   4.905960   4.047032   3.528568
    44  H    4.573431   5.821589   6.686242   5.716004   5.299750
    45  H    3.190866   5.052349   5.887107   4.664421   4.858620
    46  C    3.721250   6.435231   6.878506   6.403395   6.306989
    47  H    4.103269   6.890671   7.159259   7.005051   6.802031
    48  H    3.201175   6.263247   6.706952   6.043103   6.301355
    49  H    4.688432   7.262580   7.808693   7.162096   7.043049
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098904   0.000000
     8  H    1.102118   1.796320   0.000000
     9  H    1.102066   1.795461   1.790974   0.000000
    10  C    2.490252   3.417716   2.789164   2.738193   0.000000
    11  H    2.629407   3.670280   2.486914   2.869917   1.101116
    12  H    3.394308   4.192676   3.657447   3.780886   1.097814
    13  H    2.911328   3.837466   3.389555   2.739302   1.102498
    14  C    7.180511   7.733240   6.631336   7.987992   6.003505
    15  O    7.634190   8.119586   6.955254   8.476245   6.785331
    16  N    6.871067   7.323374   6.501002   7.740804   5.661085
    17  H    7.245488   7.929166   6.710954   7.936386   5.783051
    18  C    7.086728   7.326681   6.754832   8.069085   6.288709
    19  H    6.448360   6.596945   6.254384   7.453006   5.759297
    20  H    8.123193   8.330917   7.833901   9.105653   7.249229
    21  H    7.100995   7.292964   6.635630   8.112862   6.608024
    22  C    6.718254   7.240419   6.544211   7.491624   5.102302
    23  H    7.652877   8.121469   7.552272   8.426353   5.994801
    24  H    5.876206   6.339387   5.829970   6.666350   4.332150
    25  H    6.770410   7.435769   6.559638   7.425324   4.895660
    26  C    3.904388   4.726861   2.931608   4.164311   3.990914
    27  O    3.998984   4.606994   2.931258   4.270613   4.767231
    28  N    4.752110   5.570618   3.830447   5.168937   4.308249
    29  H    3.542117   4.513122   2.782283   3.575244   3.332010
    30  C    5.271245   6.206954   4.560876   5.611632   4.084325
    31  H    6.287851   7.241367   5.551007   6.544623   5.071428
    32  H    5.507548   6.371165   4.873797   6.002819   4.134073
    33  H    4.774321   5.796755   4.224496   4.961421   3.331668
    34  C    5.713308   6.361096   4.715329   6.277165   5.512429
    35  H    6.627197   7.303273   5.603861   7.092054   6.404971
    36  H    5.444369   5.935995   4.395139   6.078827   5.708936
    37  H    6.103055   6.724798   5.194554   6.771474   5.632133
    38  C    5.537278   5.223001   5.176351   6.627427   6.324235
    39  O    5.109150   4.635650   4.992197   6.191671   6.018105
    40  N    5.252147   5.032830   4.656694   6.284610   6.231740
    41  H    6.483736   6.245485   6.098509   7.579609   6.988176
    42  C    4.294371   4.001003   3.655339   5.240597   5.749450
    43  H    3.527980   3.079160   3.124360   4.517365   5.138618
    44  H    4.988941   4.555818   4.373867   5.844097   6.697740
    45  H    4.039834   4.002700   3.180153   4.895379   5.361257
    46  C    6.226927   6.182131   5.459837   7.204572   6.947055
    47  H    7.010390   6.967937   6.310539   8.027573   7.496053
    48  H    5.892179   6.038024   5.026297   6.808170   6.385592
    49  H    6.795949   6.685081   5.976757   7.717077   7.757877
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795057   0.000000
    13  H    1.790742   1.798557   0.000000
    14  C    5.589886   5.418411   6.964718   0.000000
    15  O    6.261631   6.337278   7.784412   1.242714   0.000000
    16  N    5.493370   4.939883   6.641479   1.360855   2.315357
    17  H    5.313344   5.177917   6.641398   1.108299   2.057532
    18  C    6.223286   5.632806   7.327448   2.468206   2.861135
    19  H    5.854617   5.108329   6.787123   3.270595   3.777479
    20  H    7.238421   6.515564   8.257260   3.075479   3.408857
    21  H    6.410126   6.104351   7.688410   2.573806   2.477642
    22  C    5.139172   4.190353   5.959390   2.466116   3.635727
    23  H    6.134607   5.011658   6.789702   3.170502   4.274716
    24  H    4.541972   3.404956   5.202875   3.199925   4.282362
    25  H    4.825435   3.990172   5.653353   2.550744   3.792263
    26  C    2.947091   4.597889   4.574898   5.667023   5.780292
    27  O    3.833971   5.475546   5.346143   6.419641   6.354663
    28  N    3.269748   4.607734   5.027498   4.489206   4.578547
    29  H    2.282696   4.048539   3.714816   6.109889   6.418678
    30  C    3.114168   4.138238   4.708387   4.079413   4.478176
    31  H    4.097614   5.106853   5.584036   4.494682   4.790507
    32  H    3.346780   3.919056   4.893708   3.039423   3.596286
    33  H    2.377192   3.473927   3.785596   4.790172   5.359429
    34  C    4.553136   5.703298   6.341850   4.135839   3.830430
    35  H    5.387604   6.620480   7.150999   4.778282   4.349544
    36  H    4.813084   5.999073   6.579102   4.664873   4.240403
    37  H    4.779376   5.612965   6.541039   3.089060   2.737337
    38  C    6.266255   6.282364   7.361301   5.527564   5.373465
    39  O    6.162359   5.989582   6.984291   6.201840   6.253785
    40  N    5.958888   6.358684   7.258427   5.498876   5.176621
    41  H    6.913227   6.804143   8.057544   5.187365   4.941481
    42  C    5.442986   6.122393   6.671473   6.311472   6.089636
    43  H    5.015563   5.537855   6.014285   6.560529   6.537060
    44  H    6.383936   7.143041   7.560635   7.296172   6.968288
    45  H    4.867504   5.809128   6.261977   5.969263   5.733427
    46  C    6.489906   7.024080   7.996235   5.045165   4.422207
    47  H    7.098998   7.422826   8.578629   4.756874   4.050509
    48  H    5.801195   6.475524   7.421007   4.388314   3.769829
    49  H    7.246253   7.935158   8.769010   6.005325   5.269434
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057238   0.000000
    18  C    1.465607   3.417388   0.000000
    19  H    2.098767   4.092282   1.101112   0.000000
    20  H    2.122289   3.984921   1.102847   1.790880   0.000000
    21  H    2.102042   3.651373   1.097403   1.797360   1.797544
    22  C    1.463440   2.560971   2.493738   2.610786   2.941895
    23  H    2.116637   3.294994   2.813016   2.947983   2.844944
    24  H    2.106806   3.358664   2.725226   2.383377   3.331843
    25  H    2.105172   2.156320   3.419502   3.626470   3.901390
    26  C    6.145244   5.488798   6.803080   6.765859   7.878329
    27  O    6.878358   6.399777   7.331408   7.256784   8.417521
    28  N    5.150230   4.254999   5.944354   6.090963   6.970969
    29  H    6.471229   5.801687   7.226364   7.096934   8.294321
    30  C    4.751669   3.516765   5.837442   6.037992   6.783292
    31  H    5.368447   3.787250   6.539736   6.870468   7.412805
    32  H    3.687081   2.461473   4.849912   5.115965   5.752151
    33  H    5.237993   4.180721   6.331210   6.373940   7.287220
    34  C    4.998498   4.133975   5.624812   5.955673   6.595443
    35  H    5.805928   4.666479   6.495406   6.926236   7.402632
    36  H    5.369732   4.875097   5.730379   5.963652   6.727895
    37  H    4.043594   3.177062   4.709547   5.170330   5.624658
    38  C    5.024901   6.399924   4.093796   3.610007   4.843908
    39  O    5.501106   6.996075   4.594195   3.842479   5.313721
    40  N    5.313953   6.292399   4.647575   4.374799   5.518120
    41  H    4.663256   6.169456   3.526595   3.208435   4.110260
    42  C    6.187803   6.931502   5.748264   5.375779   6.710191
    43  H    6.252573   7.127358   5.825287   5.265484   6.793159
    44  H    7.213931   7.941357   6.696451   6.340807   7.609039
    45  H    6.043787   6.463702   5.851965   5.605448   6.878418
    46  C    5.176127   5.873711   4.604178   4.680478   5.416460
    47  H    4.825929   5.711603   4.059571   4.266989   4.714098
    48  H    4.730167   5.092747   4.472207   4.659817   5.377115
    49  H    6.234930   6.801998   5.666644   5.763763   6.430845
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388997   0.000000
    23  H    3.843463   1.102407   0.000000
    24  H    3.596529   1.102718   1.789896   0.000000
    25  H    4.173505   1.098925   1.797348   1.794826   0.000000
    26  C    6.529110   6.447387   7.549026   6.186514   6.130659
    27  O    6.912882   7.323740   8.422225   7.011009   7.132351
    28  N    5.674776   5.564187   6.652643   5.507654   5.190985
    29  H    7.104437   6.526121   7.608395   6.182340   6.117700
    30  C    5.803302   4.889796   5.931116   4.958415   4.274716
    31  H    6.477338   5.545762   6.521095   5.775101   4.815583
    32  H    4.903989   3.844990   4.875373   4.026018   3.252370
    33  H    6.424345   5.093664   6.116669   4.996484   4.425590
    34  C    5.124054   5.772657   6.812643   5.873154   5.543210
    35  H    5.960120   6.603480   7.610306   6.809167   6.278262
    36  H    5.096972   6.233869   7.270891   6.211757   6.169313
    37  H    4.227681   4.938237   5.928227   5.175404   4.761803
    38  C    3.543320   5.817574   6.455271   5.331870   6.570247
    39  O    4.305940   6.017767   6.604367   5.335641   6.799579
    40  N    3.924801   6.217770   7.005302   5.817320   6.797970
    41  H    2.882680   5.603701   6.119422   5.278032   6.439635
    42  C    5.139065   6.908158   7.795894   6.383689   7.348791
    43  H    5.400084   6.761060   7.625063   6.084639   7.222075
    44  H    6.013018   7.985362   8.854729   7.468463   8.438784
    45  H    5.240817   6.763834   7.736429   6.317847   7.050198
    46  C    3.659327   6.324143   7.115072   6.172100   6.824882
    47  H    3.025745   6.084739   6.749976   6.044243   6.686817
    48  H    3.585466   5.862854   6.744088   5.787342   6.209428
    49  H    4.682543   7.406855   8.202880   7.263853   7.872256
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242589   0.000000
    28  N    1.361046   2.314761   0.000000
    29  H    1.107860   2.057573   2.057268   0.000000
    30  C    2.468020   3.636348   1.463864   2.565159   0.000000
    31  H    3.128479   4.220759   2.117476   3.247277   1.103064
    32  H    3.240572   4.330536   2.108102   3.408998   1.102164
    33  H    2.558936   3.801062   2.103852   2.170331   1.098780
    34  C    2.462382   2.850407   1.465097   3.413498   2.496627
    35  H    3.022244   3.317649   2.124159   3.941886   2.956872
    36  H    2.586915   2.503648   2.101032   3.659832   3.387966
    37  H    3.293276   3.809343   2.097958   4.115367   2.610241
    38  C    6.254885   6.094399   6.106686   6.847371   6.851795
    39  O    6.616704   6.485342   6.626940   7.042243   7.293560
    40  N    5.362267   5.037214   5.283710   6.092775   6.247458
    41  H    6.878170   6.805368   6.528623   7.515641   7.165494
    42  C    4.700653   4.158875   4.990446   5.369262   6.113609
    43  H    4.842878   4.419996   5.253641   5.305116   6.241675
    44  H    5.411327   4.663238   5.808889   6.114187   7.031393
    45  H    3.690967   3.100692   4.022656   4.449303   5.249268
    46  C    5.383363   5.071725   5.052686   6.281974   6.048510
    47  H    6.200944   6.023238   5.691160   7.073391   6.511861
    48  H    4.479903   4.283464   4.024902   5.420008   5.027767
    49  H    5.807338   5.286032   5.596493   6.773809   6.733404
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787903   0.000000
    33  H    1.799393   1.794924   0.000000
    34  C    2.825386   2.721871   3.419152   0.000000
    35  H    2.872642   3.338048   3.916233   1.103476   0.000000
    36  H    3.853871   3.589224   4.166649   1.097417   1.795825
    37  H    2.956361   2.377016   3.621935   1.099275   1.790720
    38  C    7.778504   6.378586   7.225153   5.743023   6.722714
    39  O    8.300097   6.843165   7.492887   6.508496   7.544705
    40  N    7.113393   5.939696   6.701302   4.797243   5.710543
    41  H    8.024318   6.562856   7.640492   6.007216   6.937256
    42  C    7.012488   6.045404   6.417760   4.757329   5.651745
    43  H    7.229140   6.161798   6.370644   5.298913   6.268712
    44  H    7.878405   7.035907   7.348732   5.485275   6.266555
    45  H    6.095138   5.312695   5.590024   3.811249   4.668787
    46  C    6.746847   5.725087   6.715202   4.189742   4.941480
    47  H    7.170750   6.025217   7.231653   4.756098   5.474786
    48  H    5.676533   4.754793   5.757308   3.093313   3.859040
    49  H    7.358877   6.532218   7.423253   4.633429   5.222864
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795296   0.000000
    38  C    5.097034   5.447923   0.000000
    39  O    5.900113   6.271814   1.243340   0.000000
    40  N    3.999998   4.682330   1.361183   2.314641   0.000000
    41  H    5.450541   5.533603   1.108316   2.058420   2.058825
    42  C    3.859620   4.958162   2.470439   2.862184   1.465809
    43  H    4.525170   5.482959   2.571929   2.462563   2.105210
    44  H    4.485842   5.776731   3.098371   3.455997   2.119085
    45  H    2.892342   4.174093   3.257938   3.748775   2.100397
    46  C    3.394565   3.986270   2.467089   3.633901   1.463584
    47  H    4.128701   4.315454   2.555343   3.797371   2.106237
    48  H    2.356663   2.908163   3.146217   4.216231   2.109140
    49  H    3.705392   4.601034   3.221026   4.327590   2.111566
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419926   0.000000
    43  H    3.654612   1.097677   0.000000
    44  H    3.996500   1.102409   1.797462   0.000000
    45  H    4.086904   1.100921   1.796204   1.790384   0.000000
    46  C    2.566365   2.488293   3.386834   2.934671   2.602688
    47  H    2.164759   3.418396   4.187358   3.868791   3.642247
    48  H    3.293756   2.762606   3.615738   3.389908   2.433403
    49  H    3.368415   2.756294   3.799071   2.789825   2.856932
                   46         47         48         49
    46  C    0.000000
    47  H    1.098612   0.000000
    48  H    1.103774   1.796045   0.000000
    49  H    1.101754   1.796539   1.791573   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2169331      0.1957990      0.1840496
 Leave Link  202 at Mon Nov 14 05:30:59 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.9182509360 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1855478930 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.7327030431 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4052
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.42D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     237
 GePol: Fraction of low-weight points (<1% of avg)   =       5.85%
 GePol: Cavity surface area                          =    468.453 Ang**2
 GePol: Cavity volume                                =    458.633 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040499786 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.7286530644 Hartrees.
 Leave Link  301 at Mon Nov 14 05:31:00 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11996 LenP2D=   37525.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.44D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:31:01 2016, MaxMem=  2952790016 cpu:        14.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:31:01 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.001084   -0.000539   -0.002353
         Rot=    1.000000    0.000117    0.000071    0.000002 Ang=   0.02 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Generating alternative initial guess.
 ExpMin= 1.13D-02 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 3630 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 3630 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Harris En= -1013.50876173078    
 Leave Link  401 at Mon Nov 14 05:31:08 2016, MaxMem=  2952790016 cpu:        79.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49256112.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.99D-15 for   2102.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.23D-15 for   1888    706.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   3666.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.08D-10 for   2504   2492.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.24D-14 for   2102.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.72D-14 for   1888    706.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   1834.
 Iteration    2 A^-1*A deviation from orthogonality  is 1.14D-15 for   1881    711.
 E= -1013.45137016180    
 DIIS: error= 1.78D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45137016180     IErMin= 1 ErrMin= 1.78D-04
 ErrMax= 1.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.00D-05 BMatP= 6.00D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.78D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=4.50D-05 MaxDP=1.84D-03              OVMax= 1.72D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.50D-05    CP:  1.00D+00
 E= -1013.45146504243     Delta-E=       -0.000094880629 Rises=F Damp=F
 DIIS: error= 3.05D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45146504243     IErMin= 2 ErrMin= 3.05D-05
 ErrMax= 3.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-06 BMatP= 6.00D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.243D-01 0.976D+00
 Coeff:      0.243D-01 0.976D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.78D-06 MaxDP=5.82D-04 DE=-9.49D-05 OVMax= 8.70D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.62D-06    CP:  1.00D+00  9.61D-01
 E= -1013.45146015933     Delta-E=        0.000004883100 Rises=F Damp=F
 DIIS: error= 8.51D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45146504243     IErMin= 2 ErrMin= 3.05D-05
 ErrMax= 8.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.08D-06 BMatP= 1.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.249D-02 0.721D+00 0.276D+00
 Coeff:      0.249D-02 0.721D+00 0.276D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.14D-06 MaxDP=4.71D-04 DE= 4.88D-06 OVMax= 7.40D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.49D-06    CP:  1.00D+00  9.78D-01  3.10D-01
 E= -1013.45146597089     Delta-E=       -0.000005811563 Rises=F Damp=F
 DIIS: error= 1.55D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45146597089     IErMin= 4 ErrMin= 1.55D-05
 ErrMax= 1.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-07 BMatP= 1.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.210D-04 0.256D+00 0.146D+00 0.598D+00
 Coeff:     -0.210D-04 0.256D+00 0.146D+00 0.598D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.11D-06 MaxDP=6.41D-05 DE=-5.81D-06 OVMax= 1.02D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.20D-07    CP:  1.00D+00  9.80D-01  3.35D-01  6.78D-01
 E= -1013.45146605264     Delta-E=       -0.000000081747 Rises=F Damp=F
 DIIS: error= 7.08D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45146605264     IErMin= 5 ErrMin= 7.08D-06
 ErrMax= 7.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-08 BMatP= 1.07D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-04 0.134D+00 0.823D-01 0.394D+00 0.390D+00
 Coeff:     -0.116D-04 0.134D+00 0.823D-01 0.394D+00 0.390D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.16D-07 MaxDP=2.18D-05 DE=-8.17D-08 OVMax= 2.30D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.01D-07    CP:  1.00D+00  9.81D-01  3.33D-01  6.81D-01  6.63D-01
 E= -1013.45146606650     Delta-E=       -0.000000013859 Rises=F Damp=F
 DIIS: error= 6.09D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45146606650     IErMin= 6 ErrMin= 6.09D-07
 ErrMax= 6.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-10 BMatP= 1.64D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-04 0.423D-01 0.269D-01 0.134D+00 0.167D+00 0.629D+00
 Coeff:     -0.151D-04 0.423D-01 0.269D-01 0.134D+00 0.167D+00 0.629D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.97D-08 MaxDP=2.88D-06 DE=-1.39D-08 OVMax= 3.71D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.24D-08    CP:  1.00D+00  9.81D-01  3.35D-01  6.83D-01  6.51D-01
                    CP:  8.87D-01
 E= -1013.45146606672     Delta-E=       -0.000000000220 Rises=F Damp=F
 DIIS: error= 2.60D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45146606672     IErMin= 7 ErrMin= 2.60D-07
 ErrMax= 2.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.15D-11 BMatP= 2.20D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-04 0.801D-02 0.546D-02 0.290D-01 0.474D-01 0.364D+00
 Coeff-Com:  0.546D+00
 Coeff:     -0.122D-04 0.801D-02 0.546D-02 0.290D-01 0.474D-01 0.364D+00
 Coeff:      0.546D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.16D-08 MaxDP=9.73D-07 DE=-2.20D-10 OVMax= 1.29D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.42D-08    CP:  1.00D+00  9.81D-01  3.34D-01  6.84D-01  6.53D-01
                    CP:  8.90D-01  7.14D-01
 E= -1013.45146606672     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 5.66D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45146606672     IErMin= 8 ErrMin= 5.66D-08
 ErrMax= 5.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-12 BMatP= 5.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.571D-05 0.254D-02 0.184D-02 0.989D-02 0.183D-01 0.167D+00
 Coeff-Com:  0.289D+00 0.511D+00
 Coeff:     -0.571D-05 0.254D-02 0.184D-02 0.989D-02 0.183D-01 0.167D+00
 Coeff:      0.289D+00 0.511D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.16D-09 MaxDP=4.46D-07 DE=-5.00D-12 OVMax= 7.12D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45146607     A.U. after    8 cycles
            NFock=  8  Conv=0.72D-08     -V/T= 2.0213
 KE= 9.923526595930D+02 PE=-6.034967732960D+03 EE= 2.177434954236D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:32:52 2016, MaxMem=  2952790016 cpu:      1183.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11996 LenP2D=   37525.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     370
 Leave Link  701 at Mon Nov 14 05:33:00 2016, MaxMem=  2952790016 cpu:        98.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:33:00 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:33:37 2016, MaxMem=  2952790016 cpu:       443.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19148260D+00-2.53255840D+00 3.31093907D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000093038    0.000108384    0.000029952
      2        6          -0.000120743   -0.000006704   -0.000040392
      3        8           0.000007323    0.000012589    0.000054869
      4        7           0.000185077   -0.000002860   -0.000073523
      5        1           0.000028786    0.000013474    0.000044446
      6        6           0.000040955    0.000087335    0.000025861
      7        1          -0.000015376   -0.000009313    0.000062197
      8        1          -0.000089734   -0.000013205   -0.000006750
      9        1          -0.000018738    0.000027052   -0.000013390
     10        6          -0.000031831    0.000087034   -0.000027144
     11        1           0.000035655    0.000001691    0.000038530
     12        1          -0.000001763    0.000017830   -0.000010045
     13        1           0.000025499    0.000008198    0.000026174
     14        6           0.000037975   -0.000049423   -0.000070861
     15        8          -0.000059690    0.000004613   -0.000033192
     16        7           0.000086042   -0.000086979   -0.000010363
     17        1          -0.000008680    0.000044031   -0.000051711
     18        6          -0.000071668   -0.000010651   -0.000003038
     19        1          -0.000002946    0.000009027   -0.000067516
     20        1          -0.000015715    0.000021784   -0.000029425
     21        1          -0.000006825   -0.000032899    0.000003195
     22        6          -0.000005963    0.000036818    0.000030267
     23        1          -0.000063547    0.000068116   -0.000048685
     24        1          -0.000097652    0.000049191   -0.000020090
     25        1          -0.000037140   -0.000037891   -0.000062390
     26        6           0.000055821    0.000006668    0.000090937
     27        8           0.000029148   -0.000031214   -0.000048695
     28        7          -0.000040070   -0.000133614    0.000108286
     29        1          -0.000032939   -0.000012137   -0.000017964
     30        6           0.000090342    0.000112503    0.000085556
     31        1          -0.000026306   -0.000053129   -0.000062152
     32        1          -0.000041145   -0.000042492   -0.000051746
     33        1           0.000000519   -0.000003494   -0.000010089
     34        6           0.000002472    0.000051521    0.000054701
     35        1          -0.000007562   -0.000032719   -0.000017357
     36        1          -0.000011117   -0.000034835   -0.000034169
     37        1          -0.000010269   -0.000039098   -0.000050475
     38        6           0.000039007    0.000112917   -0.000212003
     39        8          -0.000035276   -0.000110446    0.000145828
     40        7           0.000039687   -0.000225414    0.000177727
     41        1          -0.000028539    0.000028206    0.000018870
     42        6          -0.000071395    0.000068695    0.000085369
     43        1          -0.000000609   -0.000033214    0.000021764
     44        1           0.000136133    0.000025793   -0.000028209
     45        1           0.000061235   -0.000035783   -0.000004752
     46        6          -0.000069542   -0.000001616   -0.000114980
     47        1          -0.000006955    0.000022977    0.000062328
     48        1           0.000041318    0.000046499   -0.000002089
     49        1          -0.000006298   -0.000033818    0.000056334
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000225414 RMS     0.000061596
 Leave Link  716 at Mon Nov 14 05:33:38 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000158096 RMS     0.000015235
 Search for a local minimum.
 Step number 123 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .15235D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    116  117  118  119  120
                                                    121  122  123
 DE= -4.43D-06 DEPred=-4.26D-06 R= 1.04D+00
 TightC=F SS=  1.41D+00  RLast= 1.01D-01 DXNew= 2.8341D-01 3.0391D-01
 Trust test= 1.04D+00 RLast= 1.01D-01 DXMaxT set to 2.83D-01
 ITU=  1  1  1 -1  1 -1  0 -1  1  1  1  0 -1  0  0 -1  1  1  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1
 ITU=  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1
 ITU= -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1
 ITU=  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00036   0.00070   0.00081   0.00095
     Eigenvalues ---    0.00122   0.00147   0.00175   0.00180   0.00230
     Eigenvalues ---    0.00234   0.00261   0.00330   0.00360   0.00460
     Eigenvalues ---    0.00560   0.00654   0.00688   0.00761   0.00824
     Eigenvalues ---    0.00842   0.00868   0.00942   0.00994   0.01096
     Eigenvalues ---    0.01154   0.01176   0.01229   0.01369   0.01457
     Eigenvalues ---    0.01549   0.01581   0.01716   0.01760   0.01781
     Eigenvalues ---    0.01791   0.01835   0.01919   0.01935   0.02040
     Eigenvalues ---    0.02149   0.02254   0.02286   0.02390   0.02452
     Eigenvalues ---    0.02545   0.02679   0.02875   0.03160   0.03290
     Eigenvalues ---    0.03364   0.04152   0.04437   0.04618   0.05390
     Eigenvalues ---    0.05568   0.05915   0.06001   0.06242   0.06275
     Eigenvalues ---    0.06487   0.06739   0.06902   0.07096   0.07255
     Eigenvalues ---    0.07586   0.07632   0.07666   0.08026   0.08185
     Eigenvalues ---    0.08401   0.08500   0.08561   0.08937   0.08992
     Eigenvalues ---    0.09216   0.09359   0.09508   0.09634   0.09716
     Eigenvalues ---    0.09956   0.10154   0.10447   0.10598   0.10774
     Eigenvalues ---    0.10910   0.11161   0.11276   0.11502   0.12947
     Eigenvalues ---    0.13304   0.14107   0.14357   0.14846   0.15157
     Eigenvalues ---    0.15304   0.15401   0.20890   0.22276   0.22710
     Eigenvalues ---    0.23216   0.24629   0.24827   0.25282   0.25977
     Eigenvalues ---    0.27043   0.27598   0.28113   0.28722   0.29388
     Eigenvalues ---    0.29691   0.30597   0.32770   0.32806   0.32856
     Eigenvalues ---    0.32934   0.33184   0.33305   0.33365   0.33369
     Eigenvalues ---    0.33393   0.33422   0.33457   0.33512   0.33730
     Eigenvalues ---    0.33811   0.33823   0.33839   0.33952   0.33967
     Eigenvalues ---    0.34071   0.34237   0.34271   0.36009   0.36566
     Eigenvalues ---    0.39672   0.40856   0.86170   0.86280   0.86880
     Eigenvalues ---    0.89731
 Eigenvalue     1 is   1.31D-05 Eigenvector:
                         D399      D397      D395      D379      D407
   1                   -0.22901  -0.22742  -0.22286  -0.22285  -0.22200
                         D401      D377      D393      D369      D371
   1                   -0.22158  -0.22158  -0.22110  -0.21934  -0.21890
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   123  122  121  120  119
 RFO step:  Lambda=-7.39129688D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC= -1.16D-04 SmlDif=  1.00D-05
 RMS Error=  0.8522043258D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.19332   -0.29138   -0.49744    0.05371    0.54178
 Iteration  1 RMS(Cart)=  0.00251777 RMS(Int)=  0.00003612
 Iteration  2 RMS(Cart)=  0.00000507 RMS(Int)=  0.00000744
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000744
 ITry= 1 IFail=0 DXMaxC= 1.79D-02 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58673  -0.00003  -0.00022  -0.00115  -0.00137   6.58536
    R2        6.24513   0.00002   0.00004   0.00303   0.00307   6.24821
    R3        7.17256   0.00002  -0.00012   0.01096   0.01084   7.18339
    R4        6.22438  -0.00003  -0.00037   0.01739   0.01702   6.24140
    R5        6.53461   0.00004   0.00019   0.00218   0.00236   6.53697
    R6        5.96006   0.00002  -0.00301  -0.00309  -0.00610   5.95396
    R7        6.69074   0.00001   0.00044  -0.00001   0.00043   6.69117
    R8        6.20975   0.00003  -0.00043   0.00071   0.00027   6.21003
    R9        6.63162   0.00003  -0.00098   0.00211   0.00113   6.63275
   R10        6.06135   0.00001  -0.00086  -0.00036  -0.00122   6.06013
   R11        6.92662   0.00001  -0.00005   0.00026   0.00021   6.92683
   R12        6.01068   0.00000  -0.00016  -0.00078  -0.00094   6.00974
   R13        6.88649   0.00002   0.00009   0.00262   0.00272   6.88920
   R14        6.18952   0.00002  -0.00002   0.00052   0.00050   6.19002
   R15        6.83163   0.00002   0.00032   0.00152   0.00185   6.83348
   R16        5.93200   0.00001  -0.00116  -0.00035  -0.00151   5.93049
   R17        6.69154  -0.00001  -0.00081  -0.00297  -0.00378   6.68775
   R18        6.54307   0.00000   0.00111  -0.00223  -0.00113   6.54195
   R19        6.22285   0.00000   0.00057   0.00075   0.00132   6.22417
   R20        6.56685  -0.00001   0.00000  -0.00157  -0.00157   6.56527
   R21        6.02986  -0.00002  -0.00239  -0.00531  -0.00770   6.02216
   R22        7.03214   0.00003   0.00005   0.00105   0.00112   7.03326
   R23        6.04934   0.00000  -0.00037  -0.00193  -0.00231   6.04704
   R24        2.34948  -0.00001   0.00000   0.00001   0.00001   2.34949
   R25        2.57178   0.00008   0.00005   0.00013   0.00018   2.57197
   R26        2.09482  -0.00002   0.00000  -0.00008  -0.00008   2.09474
   R27        2.76519   0.00002  -0.00008  -0.00013  -0.00021   2.76499
   R28        2.76862  -0.00004  -0.00012  -0.00025  -0.00037   2.76825
   R29        2.07663   0.00000   0.00001   0.00001   0.00001   2.07664
   R30        2.08270  -0.00001   0.00012  -0.00013   0.00001   2.08271
   R31        2.08260   0.00000   0.00003   0.00010   0.00013   2.08273
   R32        2.08081   0.00003   0.00005   0.00018   0.00024   2.08104
   R33        2.07457   0.00000  -0.00001  -0.00005  -0.00006   2.07451
   R34        2.08342   0.00000   0.00000   0.00003   0.00003   2.08345
   R35        2.34839   0.00000  -0.00003   0.00007   0.00004   2.34843
   R36        2.57164  -0.00004   0.00010   0.00010   0.00022   2.57186
   R37        2.09438  -0.00001  -0.00001  -0.00002  -0.00003   2.09436
   R38        2.76960   0.00004  -0.00003  -0.00016  -0.00022   2.76938
   R39        2.76550  -0.00002   0.00001   0.00000   0.00002   2.76552
   R40        2.08080   0.00002  -0.00002   0.00004   0.00001   2.08081
   R41        2.08408   0.00000   0.00001  -0.00001  -0.00001   2.08407
   R42        2.07379   0.00000   0.00007  -0.00007   0.00000   2.07380
   R43        2.08325   0.00001   0.00000   0.00001   0.00001   2.08326
   R44        2.08384   0.00001   0.00004   0.00004   0.00008   2.08391
   R45        2.07667   0.00000   0.00000   0.00000   0.00000   2.07667
   R46        2.34815  -0.00005  -0.00001  -0.00002  -0.00003   2.34812
   R47        2.57200   0.00003   0.00001   0.00006   0.00007   2.57207
   R48        2.09355   0.00001   0.00001   0.00000   0.00001   2.09356
   R49        2.76630  -0.00003  -0.00005  -0.00006  -0.00011   2.76619
   R50        2.76863  -0.00004   0.00000   0.00001   0.00001   2.76864
   R51        2.08449  -0.00001   0.00000  -0.00003  -0.00003   2.08445
   R52        2.08279   0.00005  -0.00007  -0.00004  -0.00012   2.08267
   R53        2.07639   0.00000   0.00002   0.00001   0.00003   2.07642
   R54        2.08527  -0.00001   0.00000  -0.00003  -0.00003   2.08524
   R55        2.07382  -0.00001  -0.00003   0.00001  -0.00002   2.07379
   R56        2.07733   0.00002   0.00000   0.00000   0.00000   2.07733
   R57        2.34957  -0.00016   0.00002  -0.00007  -0.00005   2.34952
   R58        2.57226   0.00006  -0.00008   0.00011   0.00003   2.57230
   R59        2.09441   0.00000   0.00000   0.00001   0.00001   2.09442
   R60        2.76998   0.00009   0.00003   0.00021   0.00025   2.77023
   R61        2.76577  -0.00008  -0.00005  -0.00018  -0.00024   2.76554
   R62        2.07431   0.00000   0.00000  -0.00004  -0.00004   2.07427
   R63        2.08325  -0.00002  -0.00003  -0.00010  -0.00013   2.08313
   R64        2.08044   0.00001   0.00003  -0.00002   0.00001   2.08045
   R65        2.07608  -0.00001   0.00002  -0.00003  -0.00001   2.07607
   R66        2.08583   0.00001   0.00001   0.00008   0.00008   2.08591
   R67        2.08201   0.00003   0.00001   0.00005   0.00006   2.08207
    A1        0.68596   0.00001   0.00002  -0.00072  -0.00071   0.68525
    A2        0.96373   0.00000   0.00002  -0.00080  -0.00077   0.96296
    A3        0.72730   0.00000   0.00000  -0.00001   0.00000   0.72729
    A4        1.02059   0.00001   0.00010   0.00004   0.00015   1.02073
    A5        2.38028  -0.00002  -0.00039  -0.00191  -0.00228   2.37801
    A6        2.04595  -0.00001  -0.00017  -0.00145  -0.00161   2.04434
    A7        1.97344  -0.00001   0.00023  -0.00046  -0.00022   1.97322
    A8        1.67147  -0.00001   0.00027   0.00003   0.00031   1.67178
    A9        1.68452  -0.00001  -0.00033  -0.00182  -0.00215   1.68237
   A10        1.39878  -0.00001  -0.00031  -0.00172  -0.00203   1.39675
   A11        1.73833   0.00001  -0.00011   0.00071   0.00060   1.73894
   A12        2.04677   0.00002  -0.00010   0.00037   0.00027   2.04704
   A13        1.95749   0.00001  -0.00003  -0.00013  -0.00016   1.95733
   A14        2.05562   0.00000  -0.00049  -0.00112  -0.00161   2.05401
   A15        2.43724   0.00001  -0.00009   0.00063   0.00055   2.43779
   A16        1.60737   0.00000   0.00105  -0.00110  -0.00005   1.60732
   A17        1.80560   0.00002   0.00098  -0.00063   0.00036   1.80595
   A18        1.57971   0.00001   0.00083  -0.00005   0.00078   1.58048
   A19        1.71496   0.00001   0.00035   0.00027   0.00062   1.71558
   A20        2.20712   0.00000   0.00097  -0.00069   0.00028   2.20741
   A21        2.42531   0.00000   0.00095   0.00001   0.00097   2.42628
   A22        0.65131  -0.00001   0.00001  -0.00127  -0.00126   0.65005
   A23        0.66158  -0.00001   0.00018   0.00004   0.00022   0.66180
   A24        2.45601  -0.00001  -0.00054  -0.00152  -0.00205   2.45397
   A25        2.26271   0.00000  -0.00023  -0.00104  -0.00126   2.26145
   A26        2.32849   0.00000   0.00022  -0.00029  -0.00006   2.32843
   A27        2.04844   0.00000   0.00030   0.00031   0.00062   2.04906
   A28        1.85502   0.00000  -0.00026  -0.00109  -0.00135   1.85367
   A29        1.60639   0.00000  -0.00021  -0.00098  -0.00119   1.60520
   A30        1.34299   0.00000  -0.00015   0.00057   0.00042   1.34341
   A31        1.64786   0.00001  -0.00011   0.00037   0.00027   1.64813
   A32        1.60721  -0.00001   0.00001   0.00012   0.00013   1.60734
   A33        1.77148  -0.00001  -0.00040  -0.00067  -0.00107   1.77041
   A34        2.03991   0.00000  -0.00012   0.00051   0.00040   2.04031
   A35        1.87559   0.00001   0.00077  -0.00177  -0.00100   1.87459
   A36        1.94077   0.00002   0.00061  -0.00145  -0.00084   1.93993
   A37        1.58912   0.00000   0.00047  -0.00115  -0.00067   1.58845
   A38        1.60179   0.00000  -0.00004  -0.00077  -0.00080   1.60100
   A39        2.29167   0.00000   0.00049  -0.00128  -0.00079   2.29088
   A40        2.38253  -0.00001   0.00038  -0.00003   0.00035   2.38288
   A41        0.69493   0.00000  -0.00004  -0.00096  -0.00100   0.69393
   A42        0.75478   0.00001   0.00034  -0.00017   0.00016   0.75495
   A43        2.72865   0.00000  -0.00054  -0.00102  -0.00156   2.72709
   A44        2.65138   0.00000  -0.00025  -0.00177  -0.00200   2.64938
   A45        2.65123  -0.00001   0.00025  -0.00115  -0.00088   2.65035
   A46        2.33719  -0.00001   0.00025  -0.00085  -0.00059   2.33660
   A47        2.24148   0.00000  -0.00024  -0.00175  -0.00200   2.23947
   A48        1.99812   0.00000  -0.00021  -0.00183  -0.00205   1.99607
   A49        1.10429   0.00001  -0.00003   0.00159   0.00156   1.10586
   A50        1.46799   0.00002   0.00000   0.00134   0.00134   1.46933
   A51        1.58211   0.00001   0.00011   0.00079   0.00090   1.58302
   A52        1.82850   0.00001  -0.00021   0.00004  -0.00017   1.82832
   A53        1.78435   0.00001  -0.00007   0.00151   0.00146   1.78581
   A54        1.73385  -0.00001   0.00032  -0.00215  -0.00182   1.73203
   A55        1.66434   0.00001   0.00027  -0.00136  -0.00108   1.66327
   A56        1.26107  -0.00001   0.00024  -0.00101  -0.00076   1.26030
   A57        1.22247  -0.00001  -0.00013  -0.00022  -0.00034   1.22213
   A58        1.95243   0.00000   0.00022  -0.00074  -0.00051   1.95192
   A59        1.99780  -0.00001   0.00027   0.00079   0.00107   1.99887
   A60        0.85041   0.00000  -0.00002  -0.00198  -0.00199   0.84842
   A61        0.79081   0.00000   0.00041  -0.00139  -0.00097   0.78984
   A62        2.65252   0.00001  -0.00034  -0.00021  -0.00053   2.65199
   A63        2.83164   0.00000  -0.00025  -0.00174  -0.00198   2.82966
   A64        2.58854  -0.00001   0.00020  -0.00065  -0.00044   2.58809
   A65        2.44638   0.00000  -0.00015  -0.00194  -0.00209   2.44429
   A66        2.24145   0.00000  -0.00015  -0.00210  -0.00225   2.23920
   A67        0.86701   0.00002   0.00005   0.00124   0.00130   0.86830
   A68        1.24506   0.00002   0.00006   0.00099   0.00106   1.24611
   A69        1.43954   0.00001   0.00019   0.00023   0.00042   1.43997
   A70        1.71887   0.00001  -0.00005  -0.00034  -0.00038   1.71849
   A71        1.52132   0.00001  -0.00004   0.00139   0.00135   1.52268
   A72        1.74516  -0.00001  -0.00007  -0.00133  -0.00141   1.74375
   A73        1.57042   0.00000  -0.00008  -0.00063  -0.00071   1.56972
   A74        1.13982  -0.00001  -0.00008  -0.00060  -0.00068   1.13913
   A75        1.02467  -0.00001  -0.00036   0.00010  -0.00027   1.02441
   A76        1.78091   0.00000  -0.00007   0.00007  -0.00001   1.78091
   A77        1.76971  -0.00001   0.00006   0.00147   0.00152   1.77123
   A78        2.06195  -0.00001  -0.00052  -0.00091  -0.00142   2.06052
   A79        1.99202   0.00000  -0.00022  -0.00015  -0.00037   1.99164
   A80        2.25155   0.00000   0.00014   0.00041   0.00055   2.25211
   A81        2.08568   0.00000   0.00034   0.00132   0.00167   2.08736
   A82        1.59607   0.00001  -0.00013   0.00007  -0.00006   1.59601
   A83        1.41989   0.00001  -0.00005   0.00031   0.00026   1.42015
   A84        1.19242   0.00000  -0.00030  -0.00033  -0.00064   1.19179
   A85        1.38770   0.00001  -0.00021  -0.00029  -0.00049   1.38720
   A86        1.23049   0.00000  -0.00004  -0.00017  -0.00021   1.23029
   A87        1.35159   0.00000  -0.00042  -0.00073  -0.00115   1.35044
   A88        1.81371   0.00000  -0.00017  -0.00012  -0.00028   1.81343
   A89        2.30534   0.00000   0.00083  -0.00177  -0.00095   2.30439
   A90        2.35183   0.00001   0.00037  -0.00204  -0.00167   2.35016
   A91        1.95566  -0.00001   0.00018  -0.00205  -0.00187   1.95379
   A92        1.87471  -0.00001  -0.00041  -0.00193  -0.00233   1.87238
   A93        2.63123   0.00000  -0.00008  -0.00190  -0.00197   2.62926
   A94        2.56591  -0.00001  -0.00042  -0.00037  -0.00079   2.56512
   A95        1.97404  -0.00001  -0.00087  -0.00078  -0.00164   1.97240
   A96        2.04319   0.00000  -0.00065  -0.00012  -0.00077   2.04242
   A97        2.40967   0.00000  -0.00038   0.00014  -0.00024   2.40943
   A98        2.33780   0.00000  -0.00001   0.00116   0.00116   2.33896
   A99        1.70216   0.00001  -0.00046   0.00028  -0.00018   1.70198
   A100       1.59898   0.00002  -0.00034   0.00046   0.00012   1.59909
   A101       0.88587   0.00000  -0.00013  -0.00020  -0.00033   0.88554
   A102       1.06645   0.00001  -0.00017  -0.00010  -0.00026   1.06619
   A103       0.94709   0.00000  -0.00015   0.00002  -0.00013   0.94696
   A104       1.12150   0.00000  -0.00059  -0.00053  -0.00111   1.12039
   A105       1.49215   0.00000  -0.00012   0.00007  -0.00005   1.49210
   A106       2.48731   0.00000   0.00071  -0.00222  -0.00151   2.48580
   A107       2.35821   0.00001   0.00023  -0.00210  -0.00187   2.35634
   A108       1.92501  -0.00001   0.00023  -0.00219  -0.00197   1.92304
   A109       1.74879  -0.00001  -0.00025  -0.00198  -0.00223   1.74656
   A110       2.46648   0.00000  -0.00029  -0.00133  -0.00162   2.46485
   A111       2.30035  -0.00001  -0.00045   0.00006  -0.00039   2.29996
   A112       0.71532   0.00000   0.00003  -0.00006  -0.00004   0.71527
   A113       1.00755   0.00000   0.00006  -0.00006  -0.00001   1.00755
   A114       0.69776   0.00000   0.00000   0.00001   0.00002   0.69778
   A115       0.98708   0.00000   0.00002  -0.00002   0.00001   0.98709
   A116       1.81740   0.00000  -0.00030  -0.00041  -0.00071   1.81669
   A117       1.43627  -0.00001  -0.00028  -0.00022  -0.00050   1.43577
   A118       1.21308   0.00000  -0.00052  -0.00049  -0.00101   1.21207
   A119       0.93769   0.00000  -0.00030  -0.00019  -0.00048   0.93720
   A120       1.24736   0.00001   0.00002   0.00037   0.00040   1.24776
   A121       1.81927   0.00001   0.00024   0.00299   0.00323   1.82250
   A122       1.86932  -0.00001   0.00012   0.00294   0.00306   1.87238
   A123       2.23781   0.00001   0.00002   0.00265   0.00268   2.24049
   A124       2.17922   0.00001   0.00017   0.00192   0.00211   2.18132
   A125       1.53551   0.00001   0.00003   0.00280   0.00283   1.53834
   A126       1.41461   0.00002  -0.00016   0.00177   0.00161   1.41622
   A127       0.65780   0.00000   0.00007  -0.00003   0.00004   0.65785
   A128       0.66292   0.00000   0.00006   0.00004   0.00011   0.66303
   A129       2.17905  -0.00001  -0.00028  -0.00020  -0.00048   2.17858
   A130       1.80515  -0.00001  -0.00023   0.00002  -0.00020   1.80495
   A131       1.51651   0.00000  -0.00037  -0.00001  -0.00038   1.51614
   A132       1.22166  -0.00001  -0.00023   0.00022  -0.00001   1.22164
   A133       1.64167   0.00000   0.00001   0.00036   0.00037   1.64205
   A134       1.67924   0.00000   0.00046   0.00220   0.00266   1.68190
   A135       1.88051   0.00000   0.00034   0.00226   0.00260   1.88311
   A136       2.31171   0.00001   0.00032   0.00232   0.00265   2.31435
   A137       2.40594   0.00001   0.00043   0.00195   0.00239   2.40833
   A138       1.65867   0.00000   0.00020   0.00208   0.00229   1.66096
   A139       1.63400   0.00001  -0.00005   0.00098   0.00093   1.63493
   A140       0.70868  -0.00001   0.00005  -0.00022  -0.00017   0.70852
   A141       0.83368  -0.00001   0.00016  -0.00001   0.00015   0.83383
   A142       2.51291   0.00000  -0.00032  -0.00064  -0.00096   2.51195
   A143       2.13497  -0.00001  -0.00033  -0.00049  -0.00082   2.13414
   A144       1.92041   0.00000  -0.00042  -0.00039  -0.00081   1.91960
   A145       1.63223   0.00000  -0.00022  -0.00006  -0.00028   1.63194
   A146       1.84729   0.00000  -0.00022  -0.00039  -0.00061   1.84669
   A147       1.25512   0.00000   0.00043   0.00219   0.00262   1.25774
   A148       1.50329   0.00000   0.00037   0.00195   0.00232   1.50561
   A149       1.93341   0.00001   0.00037   0.00214   0.00251   1.93593
   A150       2.12304   0.00001   0.00055   0.00180   0.00236   2.12540
   A151       1.37956   0.00000   0.00027   0.00140   0.00167   1.38123
   A152       1.45651   0.00001   0.00005   0.00006   0.00012   1.45663
   A153       0.76838  -0.00002   0.00005   0.00007   0.00012   0.76850
   A154       0.76463  -0.00002   0.00017   0.00039   0.00056   0.76518
   A155       2.82402   0.00000  -0.00026  -0.00057  -0.00082   2.82320
   A156       2.44256  -0.00001  -0.00025  -0.00039  -0.00064   2.44193
   A157       2.17106   0.00000  -0.00025   0.00012  -0.00014   2.17092
   A158       1.87496   0.00000  -0.00014   0.00031   0.00017   1.87513
   A159       2.16106   0.00000  -0.00021  -0.00068  -0.00088   2.16017
   A160       1.14153   0.00000   0.00054   0.00096   0.00151   1.14304
   A161       1.47630   0.00000   0.00048   0.00072   0.00120   1.47750
   A162       1.86831   0.00001   0.00048   0.00115   0.00164   1.86995
   A163       2.13530   0.00002   0.00061   0.00093   0.00155   2.13685
   A164       1.47728   0.00001   0.00038   0.00009   0.00048   1.47776
   A165       1.62820   0.00001   0.00017  -0.00105  -0.00087   1.62733
   A166       2.16037   0.00001  -0.00015   0.00041   0.00027   2.16064
   A167       1.85780   0.00001  -0.00001   0.00071   0.00071   1.85850
   A168       1.47274   0.00002  -0.00006   0.00076   0.00069   1.47344
   A169       1.19222   0.00001  -0.00008   0.00075   0.00067   1.19290
   A170       1.85785   0.00001   0.00023   0.00106   0.00129   1.85914
   A171       1.90894  -0.00001   0.00058   0.00117   0.00175   1.91069
   A172       2.20900  -0.00001   0.00045   0.00155   0.00200   2.21099
   A173       2.62988   0.00000   0.00049   0.00156   0.00205   2.63192
   A174       2.05554   0.00000   0.00024   0.00180   0.00204   2.05758
   A175       2.04378   0.00001  -0.00005   0.00101   0.00096   2.04474
   A176       2.26751   0.00002  -0.00017   0.00049   0.00033   2.26784
   A177       2.04365   0.00002   0.00001   0.00080   0.00081   2.04447
   A178       1.63170   0.00003   0.00001   0.00089   0.00090   1.63260
   A179       1.38127   0.00001  -0.00010   0.00073   0.00064   1.38192
   A180       2.12415   0.00002   0.00025   0.00111   0.00136   2.12551
   A181       1.86198  -0.00002   0.00077   0.00045   0.00121   1.86319
   A182       2.23303  -0.00002   0.00067   0.00074   0.00141   2.23444
   A183       2.56721  -0.00001   0.00069   0.00046   0.00116   2.56837
   A184       2.21043  -0.00001   0.00046   0.00118   0.00165   2.21208
   A185       2.27144   0.00000   0.00012   0.00055   0.00067   2.27211
   A186       0.69375  -0.00001  -0.00003  -0.00030  -0.00032   0.69342
   A187       0.98585   0.00000  -0.00006  -0.00038  -0.00044   0.98542
   A188       0.69902   0.00000   0.00003  -0.00008  -0.00005   0.69897
   A189       2.15200   0.00000  -0.00063  -0.00081  -0.00145   2.15055
   A190       1.76493   0.00000  -0.00059  -0.00082  -0.00141   1.76352
   A191       1.44174  -0.00001  -0.00050  -0.00123  -0.00174   1.44000
   A192       1.13399  -0.00001  -0.00059  -0.00121  -0.00180   1.13220
   A193       1.63917   0.00000  -0.00059  -0.00041  -0.00101   1.63815
   A194       1.42204  -0.00001  -0.00046   0.00044  -0.00003   1.42201
   A195       0.66845   0.00000   0.00009   0.00000   0.00009   0.66853
   A196       2.26868   0.00000  -0.00097  -0.00006  -0.00104   2.26765
   A197       1.86939  -0.00001  -0.00089  -0.00026  -0.00115   1.86824
   A198       1.66322  -0.00001  -0.00074  -0.00091  -0.00165   1.66156
   A199       1.34264  -0.00001  -0.00069  -0.00094  -0.00163   1.34101
   A200       1.60994  -0.00001  -0.00088   0.00018  -0.00070   1.60924
   A201       1.34104  -0.00001  -0.00079   0.00073  -0.00007   1.34097
   A202       0.71246   0.00000   0.00002   0.00023   0.00024   0.71270
   A203       2.63492   0.00000  -0.00113   0.00052  -0.00061   2.63432
   A204       2.25874  -0.00002  -0.00101  -0.00002  -0.00104   2.25770
   A205       2.07922  -0.00002  -0.00075  -0.00107  -0.00182   2.07740
   A206       1.75845  -0.00002  -0.00072  -0.00109  -0.00181   1.75664
   A207       1.93833  -0.00001  -0.00104   0.00056  -0.00048   1.93785
   A208       1.65565  -0.00001  -0.00099   0.00083  -0.00017   1.65548
   A209       0.83117   0.00001   0.00038   0.00069   0.00106   0.83223
   A210       2.61970   0.00001  -0.00055   0.00226   0.00172   2.62142
   A211       2.35372  -0.00001  -0.00066   0.00130   0.00064   2.35436
   A212       2.30501   0.00000  -0.00062  -0.00032  -0.00094   2.30407
   A213       1.99193  -0.00001  -0.00051  -0.00053  -0.00104   1.99089
   A214       1.96974   0.00000  -0.00061   0.00169   0.00108   1.97081
   A215       1.69585   0.00001  -0.00062   0.00156   0.00093   1.69678
   A216       1.92283   0.00000  -0.00114   0.00023  -0.00091   1.92192
   A217       1.55497  -0.00002  -0.00107  -0.00002  -0.00110   1.55388
   A218       1.49016  -0.00001  -0.00096  -0.00052  -0.00148   1.48868
   A219       1.19970  -0.00001  -0.00073  -0.00058  -0.00131   1.19839
   A220       1.22903  -0.00001  -0.00103   0.00023  -0.00081   1.22823
   A221       0.94835  -0.00001  -0.00097   0.00057  -0.00041   0.94794
   A222       0.72818   0.00001  -0.00007   0.00026   0.00020   0.72837
   A223       1.02045   0.00001   0.00000   0.00034   0.00034   1.02079
   A224       0.69757   0.00000  -0.00009   0.00005  -0.00004   0.69753
   A225       0.98057   0.00000  -0.00012  -0.00017  -0.00029   0.98029
   A226       0.65906   0.00001   0.00013   0.00023   0.00036   0.65942
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   A228       0.70294   0.00000   0.00001  -0.00010  -0.00009   0.70286
   A229       0.84953  -0.00001   0.00009   0.00029   0.00039   0.84992
   A230       0.75743   0.00001   0.00028   0.00009   0.00037   0.75780
   A231       0.78108   0.00000   0.00043   0.00067   0.00110   0.78218
   A232       1.60182  -0.00003  -0.00010  -0.00325  -0.00336   1.59846
   A233       1.85211  -0.00003  -0.00011   0.00204   0.00193   1.85405
   A234       2.19059  -0.00001  -0.00001   0.00014   0.00013   2.19073
   A235       2.12919   0.00002   0.00004  -0.00006  -0.00003   2.12917
   A236       1.96302  -0.00001  -0.00003  -0.00009  -0.00012   1.96290
   A237       2.12249  -0.00003   0.00002   0.00000   0.00002   2.12251
   A238       2.12586  -0.00001   0.00004   0.00031   0.00036   2.12622
   A239       2.03345   0.00004  -0.00007  -0.00023  -0.00030   2.03315
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   A241       2.53251   0.00003  -0.00005   0.00289   0.00283   2.53534
   A242       1.91322   0.00002   0.00001   0.00026   0.00026   1.91349
   A243       1.91913  -0.00004  -0.00004  -0.00062  -0.00064   1.91848
   A244       1.91693  -0.00001   0.00007  -0.00009  -0.00002   1.91691
   A245       1.90936  -0.00002   0.00001   0.00032   0.00032   1.90969
   A246       1.90808   0.00001  -0.00004   0.00013   0.00008   1.90816
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   A249       1.90616   0.00000   0.00022   0.00052   0.00074   1.90691
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   A251       1.92699   0.00002  -0.00011  -0.00016  -0.00026   1.92673
   A252       1.91006  -0.00001  -0.00001  -0.00009  -0.00010   1.90996
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   A261       2.12264   0.00004   0.00003   0.00007   0.00011   2.12275
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   A263       1.34273   0.00001  -0.00016   0.00182   0.00167   1.34440
   A264       1.90030  -0.00001   0.00004   0.00007   0.00013   1.90043
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   A273       1.91232   0.00001   0.00008   0.00020   0.00028   1.91260
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   A275       1.89411  -0.00003   0.00003  -0.00037  -0.00033   1.89377
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   A278       1.81902   0.00001  -0.00004  -0.00061  -0.00065   1.81837
   A279       1.74376  -0.00002   0.00011   0.00144   0.00154   1.74530
   A280       2.18946  -0.00001   0.00002  -0.00003  -0.00002   2.18944
   A281       2.13069   0.00000  -0.00003  -0.00010  -0.00013   2.13055
   A282       1.96295   0.00000   0.00001   0.00013   0.00015   1.96311
   A283       2.12462  -0.00004   0.00001  -0.00040  -0.00038   2.12424
   A284       2.11487   0.00000  -0.00003  -0.00035  -0.00038   2.11449
   A285       2.04109   0.00004   0.00003   0.00075   0.00077   2.04186
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   A289       1.91419   0.00001   0.00021   0.00013   0.00033   1.91453
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   A291       1.89089   0.00001  -0.00015   0.00017   0.00003   1.89091
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   A293       1.90727  -0.00002   0.00002  -0.00041  -0.00039   1.90688
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   A296       1.93372   0.00000   0.00005   0.00011   0.00016   1.93388
   A297       1.90787   0.00001  -0.00005  -0.00003  -0.00008   1.90779
   A298       1.90170  -0.00002  -0.00007  -0.00010  -0.00019   1.90151
   A299       1.90874   0.00002  -0.00004   0.00001  -0.00002   1.90872
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   A301       1.91332  -0.00001   0.00005  -0.00016  -0.00010   1.91322
   A302       1.61966   0.00002  -0.00008  -0.00086  -0.00094   1.61871
   A303       1.82337   0.00004   0.00031   0.00018   0.00049   1.82387
   A304       2.18795   0.00004   0.00011   0.00048   0.00059   2.18854
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   A306       1.96455  -0.00002  -0.00002  -0.00042  -0.00044   1.96411
   A307       2.12547  -0.00004   0.00002  -0.00002   0.00000   2.12547
   A308       2.12346   0.00004  -0.00010   0.00022   0.00011   2.12357
   A309       2.02978   0.00001   0.00007  -0.00040  -0.00033   2.02945
   A310       1.30452  -0.00002   0.00096   0.00091   0.00186   1.30638
   A311       3.04377  -0.00001  -0.00124  -0.00210  -0.00335   3.04042
   A312       1.91253   0.00000  -0.00011  -0.00019  -0.00030   1.91223
   A313       1.92687   0.00000  -0.00015   0.00051   0.00038   1.92725
   A314       1.90250  -0.00001   0.00019  -0.00004   0.00015   1.90265
   A315       1.91236   0.00003   0.00014   0.00015   0.00028   1.91265
   A316       1.91230  -0.00001  -0.00014   0.00000  -0.00014   1.91216
   A317       1.89713  -0.00001   0.00007  -0.00044  -0.00037   1.89676
   A318       1.79052   0.00003   0.00037   0.00299   0.00337   1.79389
   A319       1.91567   0.00001  -0.00002   0.00032   0.00029   1.91597
   A320       1.91428  -0.00003   0.00012  -0.00033  -0.00020   1.91408
   A321       1.91978   0.00002  -0.00006   0.00008   0.00002   1.91980
   A322       1.90718   0.00004   0.00003   0.00043   0.00045   1.90763
   A323       1.91055  -0.00004  -0.00006  -0.00037  -0.00042   1.91013
   A324       1.89620  -0.00001  -0.00001  -0.00014  -0.00015   1.89606
   A325       2.93717  -0.00001   0.00026  -0.00125  -0.00099   2.93618
   A326       3.39948   0.00000   0.00002  -0.00156  -0.00153   3.39795
   A327       3.11373   0.00000   0.00004  -0.00145  -0.00141   3.11232
   A328       3.21766  -0.00001   0.00195   0.00279   0.00474   3.22241
   A329       3.25501   0.00000  -0.00019   0.00173   0.00154   3.25655
   A330       3.26474  -0.00001  -0.00096  -0.00389  -0.00485   3.25989
   A331       3.70107  -0.00001   0.00031   0.00263   0.00294   3.70401
   A332       3.28249   0.00001  -0.00009  -0.00117  -0.00125   3.28124
   A333       2.93574   0.00000   0.00084   0.00105   0.00189   2.93763
   A334       2.87987  -0.00001   0.00075   0.00083   0.00157   2.88145
   A335       3.22920   0.00002   0.00085   0.00174   0.00259   3.23179
   A336       3.08141  -0.00001  -0.00011  -0.00038  -0.00050   3.08091
   A337       3.10474  -0.00001   0.00016   0.00057   0.00073   3.10547
   A338       3.05275  -0.00001  -0.00017  -0.00088  -0.00105   3.05170
    D1        2.75951   0.00001  -0.00001   0.00049   0.00048   2.75999
    D2       -1.35760   0.00001  -0.00003  -0.00031  -0.00034  -1.35794
    D3        2.78584   0.00001   0.00003  -0.00062  -0.00059   2.78525
    D4       -1.33127   0.00001   0.00000  -0.00141  -0.00141  -1.33268
    D5        1.65700   0.00001   0.00007   0.00166   0.00174   1.65874
    D6       -2.46011   0.00001   0.00005   0.00087   0.00092  -2.45920
    D7        1.83189   0.00001  -0.00044   0.00092   0.00048   1.83238
    D8       -2.28522   0.00001  -0.00046   0.00012  -0.00034  -2.28556
    D9        0.23748   0.00000   0.00058   0.00096   0.00155   0.23903
   D10        2.40355   0.00000   0.00055   0.00017   0.00073   2.40429
   D11       -0.02763   0.00000   0.00025   0.00035   0.00060  -0.02703
   D12        2.13844   0.00000   0.00022  -0.00045  -0.00023   2.13822
   D13       -0.49665   0.00000   0.00011   0.00056   0.00066  -0.49599
   D14        1.66942   0.00000   0.00009  -0.00024  -0.00016   1.66926
   D15       -0.59656   0.00000  -0.00015  -0.00054  -0.00069  -0.59725
   D16        1.56951   0.00000  -0.00017  -0.00133  -0.00151   1.56800
   D17        0.17639  -0.00001  -0.00010  -0.00051  -0.00061   0.17578
   D18        2.34246  -0.00001  -0.00013  -0.00131  -0.00144   2.34103
   D19        0.12052  -0.00002  -0.00019  -0.00074  -0.00093   0.11959
   D20        2.28659  -0.00002  -0.00022  -0.00153  -0.00175   2.28484
   D21        2.37439   0.00000  -0.00037  -0.00043  -0.00080   2.37359
   D22       -1.74272   0.00000  -0.00039  -0.00122  -0.00162  -1.74434
   D23        2.13636   0.00000  -0.00033  -0.00066  -0.00099   2.13537
   D24       -1.98075   0.00000  -0.00035  -0.00146  -0.00181  -1.98256
   D25        1.68727   0.00000  -0.00030  -0.00044  -0.00074   1.68653
   D26       -2.42984   0.00000  -0.00032  -0.00124  -0.00156  -2.43140
   D27        1.37861  -0.00001  -0.00032  -0.00052  -0.00084   1.37777
   D28       -2.73850  -0.00001  -0.00034  -0.00132  -0.00166  -2.74016
   D29        2.35916   0.00000  -0.00024  -0.00075  -0.00099   2.35817
   D30       -1.75795   0.00000  -0.00026  -0.00154  -0.00181  -1.75976
   D31       -1.73952   0.00000  -0.00080  -0.00140  -0.00220  -1.74171
   D32        0.42656   0.00000  -0.00082  -0.00220  -0.00302   0.42354
   D33       -2.09395   0.00000  -0.00080  -0.00123  -0.00203  -2.09597
   D34        0.07213   0.00000  -0.00082  -0.00203  -0.00285   0.06928
   D35       -2.46739  -0.00001  -0.00074  -0.00169  -0.00243  -2.46982
   D36       -0.30131  -0.00001  -0.00077  -0.00249  -0.00325  -0.30457
   D37       -2.75935  -0.00001  -0.00094  -0.00156  -0.00250  -2.76186
   D38       -0.59328  -0.00001  -0.00096  -0.00236  -0.00332  -0.59660
   D39       -2.12529   0.00001  -0.00091  -0.00063  -0.00153  -2.12682
   D40        0.04078   0.00001  -0.00093  -0.00142  -0.00235   0.03843
   D41       -2.37266   0.00000  -0.00109   0.00106  -0.00003  -2.37269
   D42       -0.20659   0.00000  -0.00111   0.00026  -0.00085  -0.20744
   D43        1.26231   0.00001  -0.00004   0.00073   0.00069   1.26301
   D44       -1.96852   0.00001  -0.00024   0.00587   0.00563  -1.96290
   D45        2.44735   0.00001  -0.00001   0.00210   0.00209   2.44944
   D46       -0.78349   0.00001  -0.00021   0.00723   0.00702  -0.77646
   D47        2.92725   0.00001  -0.00030   0.00190   0.00160   2.92885
   D48       -0.30358   0.00001  -0.00050   0.00703   0.00653  -0.29705
   D49        2.89281  -0.00002  -0.00040  -0.00495  -0.00536   2.88745
   D50       -0.33803  -0.00002  -0.00060   0.00018  -0.00042  -0.33845
   D51        1.97719   0.00000   0.00019  -0.00182  -0.00157   1.97562
   D52       -1.25365   0.00000   0.00000   0.00331   0.00337  -1.25028
   D53        1.03709  -0.00001   0.00015   0.00131   0.00141   1.03850
   D54       -2.19374  -0.00001  -0.00005   0.00644   0.00634  -2.18740
   D55        0.96397   0.00000  -0.00029  -0.00046  -0.00077   0.96320
   D56       -2.26687   0.00000  -0.00049   0.00467   0.00416  -2.26271
   D57        1.99926  -0.00002  -0.00032  -0.00180  -0.00211   1.99715
   D58       -1.23158  -0.00002  -0.00052   0.00333   0.00283  -1.22875
   D59        1.81091  -0.00002  -0.00034  -0.00132  -0.00166   1.80925
   D60       -1.41992  -0.00002  -0.00054   0.00381   0.00328  -1.41665
   D61       -2.30692   0.00000  -0.00046   0.00012  -0.00034  -2.30726
   D62        0.74543   0.00000  -0.00066   0.00525   0.00460   0.75003
   D63       -2.42786   0.00001  -0.00034  -0.00004  -0.00039  -2.42825
   D64        0.62449   0.00001  -0.00054   0.00509   0.00455   0.62903
   D65       -2.82938   0.00001  -0.00028  -0.00006  -0.00034  -2.82972
   D66        0.22297   0.00001  -0.00048   0.00507   0.00459   0.22756
   D67       -2.99567   0.00000  -0.00057  -0.00089  -0.00147  -2.99714
   D68        0.05668   0.00000  -0.00077   0.00424   0.00347   0.06015
   D69       -2.14048   0.00001  -0.00021   0.00006  -0.00015  -2.14062
   D70        0.91187   0.00001  -0.00041   0.00519   0.00479   0.91666
   D71       -0.16553   0.00000  -0.00133   0.00006  -0.00127  -0.16680
   D72        2.88682   0.00001  -0.00153   0.00519   0.00366   2.89048
   D73       -0.56559  -0.00001  -0.00126  -0.00011  -0.00137  -0.56697
   D74        2.48675   0.00000  -0.00146   0.00502   0.00356   2.49032
   D75       -0.72626  -0.00001  -0.00116  -0.00131  -0.00248  -0.72874
   D76        2.32609  -0.00001  -0.00136   0.00382   0.00245   2.32854
   D77       -1.06297  -0.00001  -0.00107  -0.00150  -0.00258  -1.06555
   D78        1.98938  -0.00001  -0.00127   0.00363   0.00235   1.99174
   D79       -0.85608   0.00000  -0.00132   0.00076  -0.00056  -0.85663
   D80        2.19627   0.00001  -0.00152   0.00590   0.00437   2.20065
   D81       -1.16016   0.00000  -0.00131   0.00126  -0.00005  -1.16021
   D82        1.89219   0.00001  -0.00151   0.00639   0.00488   1.89707
   D83       -1.52538   0.00002   0.00096   0.00139   0.00236  -1.52302
   D84       -2.60696   0.00001   0.00091   0.00199   0.00291  -2.60405
   D85       -2.94003   0.00002   0.00091   0.00074   0.00165  -2.93838
   D86        0.73201   0.00000   0.00092  -0.00059   0.00034   0.73234
   D87        0.29873   0.00000   0.00095  -0.00064   0.00031   0.29904
   D88       -0.10667   0.00000   0.00120   0.00005   0.00126  -0.10541
   D89       -0.43481   0.00000   0.00094  -0.00061   0.00033  -0.43448
   D90        0.18824  -0.00001   0.00062  -0.00143  -0.00082   0.18742
   D91       -0.04427  -0.00002   0.00056  -0.00154  -0.00099  -0.04526
   D92        2.38820   0.00000   0.00060  -0.00093  -0.00032   2.38787
   D93        2.04627   0.00000   0.00065  -0.00072  -0.00007   2.04619
   D94        1.64596   0.00001   0.00060  -0.00067  -0.00007   1.64588
   D95        1.36447   0.00000   0.00053  -0.00077  -0.00025   1.36422
   D96        2.06168   0.00001   0.00082  -0.00034   0.00047   2.06216
   D97       -1.87183   0.00000  -0.00050  -0.00228  -0.00278  -1.87462
   D98       -2.42612  -0.00001  -0.00079  -0.00147  -0.00226  -2.42837
   D99       -2.63986  -0.00001  -0.00028  -0.00147  -0.00175  -2.64161
   D100      -2.96993  -0.00001  -0.00007  -0.00128  -0.00135  -2.97128
   D101      -2.91807   0.00000  -0.00160   0.00037  -0.00123  -2.91929
   D102       2.82651   0.00001  -0.00116   0.00116   0.00000   2.82651
   D103      -2.82938   0.00000  -0.00101  -0.00223  -0.00325  -2.83263
   D104       1.26686   0.00000  -0.00123  -0.00211  -0.00335   1.26351
   D105       2.85453  -0.00001  -0.00076  -0.00099  -0.00177   2.85276
   D106       0.66758  -0.00001  -0.00098  -0.00087  -0.00188   0.66571
   D107       2.29449   0.00002  -0.00027   0.00361   0.00335   2.29784
   D108       0.10754   0.00002  -0.00049   0.00373   0.00325   0.11079
   D109       1.66972   0.00002   0.00011   0.00425   0.00441   1.67413
   D110      -0.51723   0.00002  -0.00011   0.00437   0.00431  -0.51292
   D111       2.61272   0.00000  -0.00063  -0.00179  -0.00243   2.61029
   D112       0.42577   0.00000  -0.00085  -0.00167  -0.00253   0.42324
   D113       2.26883   0.00000  -0.00034  -0.00148  -0.00181   2.26702
   D114       0.08188  -0.00001  -0.00056  -0.00136  -0.00192   0.07997
   D115      -1.60737   0.00001   0.00012  -0.00025  -0.00013  -1.60751
   D116       2.48886   0.00000  -0.00010  -0.00013  -0.00023   2.48863
   D117      -1.77107   0.00000   0.00008   0.00025   0.00033  -1.77074
   D118       2.32517  -0.00001  -0.00014   0.00037   0.00022   2.32539
   D119      -2.73483   0.00002   0.00005   0.00008   0.00013  -2.73469
   D120       1.36141   0.00002  -0.00017   0.00020   0.00003   1.36144
   D121      -2.69115   0.00003  -0.00011  -0.00026  -0.00036  -2.69151
   D122       1.40509   0.00002  -0.00033  -0.00014  -0.00046   1.40462
   D123       1.34384   0.00000  -0.00010  -0.00113  -0.00122   1.34262
   D124      -0.84310  -0.00001  -0.00032  -0.00101  -0.00132  -0.84443
   D125       1.32651  -0.00001  -0.00038  -0.00160  -0.00198   1.32453
   D126      -0.86044  -0.00001  -0.00060  -0.00148  -0.00208  -0.86252
   D127       1.69048  -0.00001  -0.00054  -0.00188  -0.00241   1.68806
   D128      -0.49647  -0.00002  -0.00076  -0.00176  -0.00252  -0.49899
   D129       1.81510   0.00000  -0.00020  -0.00152  -0.00171   1.81339
   D130      -0.37184   0.00000  -0.00042  -0.00140  -0.00182  -0.37366
   D131       0.93330  -0.00001  -0.00060  -0.00210  -0.00269   0.93061
   D132      -1.25365  -0.00001  -0.00082  -0.00198  -0.00280  -1.25644
   D133      -0.93186   0.00000   0.00067  -0.00159  -0.00091  -0.93277
   D134      -3.11881  -0.00001   0.00045  -0.00147  -0.00101  -3.11982
   D135      -0.51659   0.00001   0.00064  -0.00110  -0.00046  -0.51706
   D136      -2.70354   0.00000   0.00042  -0.00098  -0.00057  -2.70411
   D137      -0.25625   0.00001   0.00082   0.00007   0.00087  -0.25538
   D138      -2.44320   0.00001   0.00060   0.00019   0.00077  -2.44243
   D139       0.13735   0.00002   0.00084   0.00060   0.00143   0.13878
   D140      -2.04960   0.00001   0.00062   0.00072   0.00133  -2.04827
   D141      -0.28860   0.00000   0.00051  -0.00141  -0.00090  -0.28950
   D142      -2.47555   0.00000   0.00029  -0.00129  -0.00100  -2.47655
   D143      -0.03135   0.00000   0.00038  -0.00218  -0.00180  -0.03315
   D144      -2.21830   0.00000   0.00015  -0.00206  -0.00190  -2.22020
   D145      -2.40451  -0.00001  -0.00086  -0.00322  -0.00407  -2.40858
   D146      -2.62790  -0.00001  -0.00097  -0.00289  -0.00386  -2.63176
   D147      -2.25015   0.00001  -0.00098  -0.00378  -0.00471  -2.25485
   D148       3.08305   0.00000  -0.00099  -0.00280  -0.00380   3.07925
   D149       2.69367  -0.00001  -0.00124  -0.00281  -0.00406   2.68961
   D150       1.51906   0.00001   0.00005  -0.00070  -0.00066   1.51840
   D151       2.62026   0.00001   0.00000  -0.00048  -0.00048   2.61978
   D152       2.99969   0.00002  -0.00012  -0.00067  -0.00078   2.99891
   D153       1.20173   0.00000  -0.00020  -0.00194  -0.00215   1.19958
   D154       1.27481  -0.00001  -0.00048  -0.00222  -0.00270   1.27211
   D155       1.67485  -0.00001  -0.00066  -0.00238  -0.00304   1.67181
   D156       1.74488   0.00000  -0.00026  -0.00175  -0.00201   1.74287
   D157       0.92799  -0.00001  -0.00062  -0.00252  -0.00314   0.92485
   D158      -0.93116  -0.00001   0.00046  -0.00331  -0.00285  -0.93401
   D159      -0.60713   0.00001   0.00039  -0.00309  -0.00271  -0.60984
   D160      -0.66091   0.00000   0.00043  -0.00242  -0.00200  -0.66291
   D161      -0.37158   0.00000   0.00031  -0.00184  -0.00154  -0.37312
   D162      -0.22058   0.00000   0.00034  -0.00346  -0.00313  -0.22371
   D163       0.05508  -0.00001   0.00035  -0.00333  -0.00298   0.05210
   D164      -1.23233   0.00000  -0.00082  -0.00050  -0.00131  -1.23365
   D165       1.70992   0.00000  -0.00058  -0.00136  -0.00195   1.70798
   D166      -1.60216  -0.00001  -0.00078  -0.00009  -0.00088  -1.60303
   D167       1.34010  -0.00001  -0.00055  -0.00096  -0.00151   1.33859
   D168      -1.67510   0.00002  -0.00066   0.00134   0.00067  -1.67443
   D169       1.26715   0.00001  -0.00043   0.00048   0.00004   1.26719
   D170      -1.94067   0.00003  -0.00049   0.00182   0.00132  -1.93935
   D171       1.00158   0.00002  -0.00026   0.00096   0.00069   1.00227
   D172      -1.95630   0.00000  -0.00083  -0.00067  -0.00149  -1.95780
   D173       0.98595  -0.00001  -0.00060  -0.00153  -0.00213   0.98383
   D174      -2.26125   0.00000  -0.00087  -0.00040  -0.00127  -2.26252
   D175       0.68100  -0.00001  -0.00064  -0.00127  -0.00190   0.67911
   D176       1.97486   0.00002  -0.00004   0.00122   0.00117   1.97603
   D177      -1.36607   0.00001   0.00019   0.00035   0.00054  -1.36553
   D178       0.83088   0.00001  -0.00004   0.00117   0.00113   0.83201
   D179      -2.51005   0.00000   0.00019   0.00031   0.00050  -2.50955
   D180       0.36586   0.00000  -0.00008   0.00144   0.00135   0.36721
   D181      -2.97507  -0.00001   0.00015   0.00057   0.00072  -2.97435
   D182      -3.08519  -0.00001  -0.00040  -0.00018  -0.00058  -3.08577
   D183      -0.14293  -0.00001  -0.00017  -0.00105  -0.00121  -0.14415
   D184       2.93956  -0.00002  -0.00057  -0.00037  -0.00094   2.93861
   D185      -0.40137  -0.00002  -0.00034  -0.00123  -0.00157  -0.40295
   D186       3.10086  -0.00001  -0.00080  -0.00054  -0.00134   3.09952
   D187      -0.24007  -0.00001  -0.00057  -0.00140  -0.00197  -0.24204
   D188       3.00273   0.00000  -0.00042   0.00006  -0.00036   3.00237
   D189      -0.33820   0.00000  -0.00019  -0.00080  -0.00099  -0.33919
   D190       2.49478  -0.00001  -0.00064  -0.00067  -0.00132   2.49346
   D191      -0.84615  -0.00002  -0.00041  -0.00154  -0.00195  -0.84810
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   D193      -2.92320  -0.00001   0.00049  -0.00304  -0.00254  -2.92574
   D194       0.72423   0.00001   0.00038  -0.00221  -0.00182   0.72240
   D195      -2.61670   0.00000   0.00062  -0.00308  -0.00246  -2.61916
   D196       0.56201  -0.00001   0.00056  -0.00317  -0.00260   0.55941
   D197      -2.77892  -0.00001   0.00079  -0.00404  -0.00323  -2.78215
   D198       1.16581  -0.00001   0.00039  -0.00174  -0.00136   1.16445
   D199      -2.17512  -0.00001   0.00062  -0.00261  -0.00199  -2.17711
   D200       1.48472  -0.00001   0.00035  -0.00178  -0.00143   1.48329
   D201      -1.85621  -0.00001   0.00059  -0.00265  -0.00206  -1.85827
   D202       1.59570   0.00000  -0.00009   0.00058   0.00048   1.59618
   D203      -0.61918   0.00001  -0.00008   0.00029   0.00021  -0.61897
   D204       1.65761   0.00000  -0.00024  -0.00004  -0.00028   1.65733
   D205      -0.55727   0.00001  -0.00023  -0.00032  -0.00055  -0.55782
   D206       1.32602  -0.00001  -0.00035   0.00041   0.00007   1.32609
   D207      -0.88886  -0.00001  -0.00034   0.00013  -0.00021  -0.88907
   D208       1.15026  -0.00001  -0.00051   0.00155   0.00103   1.15130
   D209      -1.06462   0.00000  -0.00051   0.00127   0.00076  -1.06386
   D210       2.08539  -0.00001  -0.00030  -0.00064  -0.00093   2.08446
   D211      -0.12949   0.00000  -0.00029  -0.00092  -0.00121  -0.13070
   D212       2.20006  -0.00001   0.00010  -0.00084  -0.00074   2.19932
   D213      -0.01482   0.00000   0.00011  -0.00112  -0.00101  -0.01583
   D214      -2.18991  -0.00001  -0.00079  -0.00152  -0.00230  -2.19221
   D215       1.87840  -0.00001  -0.00078  -0.00180  -0.00257   1.87582
   D216      -2.36465  -0.00001  -0.00069  -0.00099  -0.00168  -2.36632
   D217       1.70366   0.00000  -0.00069  -0.00127  -0.00195   1.70171
   D218      -1.97728  -0.00001  -0.00064  -0.00074  -0.00137  -1.97865
   D219       2.09103   0.00000  -0.00063  -0.00102  -0.00165   2.08938
   D220      -2.11761  -0.00001  -0.00038   0.00210   0.00171  -2.11590
   D221       1.95069  -0.00001  -0.00037   0.00182   0.00144   1.95213
   D222      -2.86236   0.00000  -0.00063  -0.00104  -0.00167  -2.86403
   D223       1.20594   0.00000  -0.00062  -0.00132  -0.00194   1.20400
   D224       3.08154   0.00000  -0.00060  -0.00104  -0.00164   3.07990
   D225       0.86666   0.00000  -0.00059  -0.00132  -0.00192   0.86475
   D226      -2.71083   0.00000   0.00000  -0.00042  -0.00041  -2.71124
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   D228      -2.64440  -0.00001  -0.00061  -0.00119  -0.00179  -2.64620
   D229       1.42390  -0.00001  -0.00060  -0.00148  -0.00207   1.42183
   D230      -1.56122   0.00001   0.00004   0.00026   0.00030  -1.56092
   D231       2.50709   0.00001   0.00004  -0.00002   0.00002   2.50711
   D232      -0.13120  -0.00001  -0.00113   0.00166   0.00053  -0.13067
   D233      -2.34608   0.00000  -0.00112   0.00138   0.00026  -2.34583
   D234      -0.25236  -0.00002  -0.00096   0.00124   0.00029  -0.25207
   D235      -2.46724  -0.00002  -0.00095   0.00096   0.00001  -2.46723
   D236       0.03774   0.00000  -0.00087   0.00093   0.00007   0.03780
   D237      -2.17714   0.00000  -0.00086   0.00065  -0.00021  -2.17735
   D238      -0.05703   0.00000  -0.00046   0.00076   0.00030  -0.05672
   D239      -2.27191   0.00000  -0.00045   0.00048   0.00003  -2.27188
   D240      -0.63835  -0.00001  -0.00092   0.00125   0.00033  -0.63802
   D241      -2.85323   0.00000  -0.00091   0.00096   0.00006  -2.85317
   D242      -0.82039   0.00000  -0.00103   0.00055  -0.00047  -0.82086
   D243      -3.03527   0.00001  -0.00102   0.00027  -0.00075  -3.03601
   D244      -2.93887   0.00001   0.00044   0.00237   0.00281  -2.93606
   D245      -0.03877   0.00001   0.00055   0.00212   0.00267  -0.03610
   D246      -3.13781   0.00000   0.00032   0.00181   0.00214  -3.13567
   D247      -0.23771   0.00000   0.00044   0.00156   0.00200  -0.23571
   D248       2.75433   0.00000   0.00032   0.00262   0.00294   2.75727
   D249      -0.62876   0.00000   0.00043   0.00236   0.00280  -0.62596
   D250       2.51454   0.00001   0.00027   0.00311   0.00337   2.51791
   D251      -0.86855   0.00001   0.00038   0.00286   0.00323  -0.86532
   D252      -2.91752   0.00000   0.00018   0.00089   0.00106  -2.91646
   D253      -0.01743   0.00000   0.00030   0.00064   0.00093  -0.01650
   D254      -3.09080   0.00000   0.00056   0.00094   0.00150  -3.08930
   D255      -0.19070   0.00000   0.00067   0.00069   0.00136  -0.18934
   D256      -0.61722  -0.00001  -0.00007   0.00021   0.00014  -0.61708
   D257       2.28288  -0.00001   0.00005  -0.00005   0.00001   2.28288
   D258      -0.87589   0.00000   0.00010   0.00077   0.00087  -0.87503
   D259       2.02420   0.00000   0.00022   0.00051   0.00073   2.02494
   D260      -0.72607   0.00000   0.00040   0.00136   0.00176  -0.72431
   D261       2.17402   0.00000   0.00052   0.00111   0.00163   2.17565
   D262      -0.94535   0.00000   0.00061   0.00239   0.00299  -0.94236
   D263       1.95475   0.00000   0.00073   0.00213   0.00285   1.95760
   D264      -1.28492   0.00000   0.00007   0.00071   0.00077  -1.28414
   D265       1.61518   0.00000   0.00018   0.00046   0.00063   1.61582
   D266      -1.52910   0.00001   0.00011   0.00087   0.00098  -1.52812
   D267       1.37100   0.00001   0.00023   0.00062   0.00084   1.37184
   D268       1.98309   0.00000   0.00060   0.00118   0.00179   1.98487
   D269      -1.40000   0.00000   0.00072   0.00093   0.00165  -1.39835
   D270       0.86715   0.00000   0.00055   0.00128   0.00183   0.86898
   D271      -2.51594   0.00000   0.00066   0.00103   0.00169  -2.51424
   D272       0.82069   0.00001   0.00016   0.00540   0.00557   0.82626
   D273      -2.56239   0.00001   0.00027   0.00515   0.00543  -2.55696
   D274       1.05294  -0.00001  -0.00003   0.00373   0.00371   1.05665
   D275      -2.33014  -0.00001   0.00009   0.00348   0.00357  -2.32657
   D276       1.53327   0.00001  -0.00019   0.00312   0.00294   1.53622
   D277      -1.84981   0.00001  -0.00007   0.00287   0.00281  -1.84701
   D278       1.53609   0.00001   0.00038   0.00262   0.00300   1.53909
   D279      -1.84700   0.00001   0.00049   0.00237   0.00286  -1.84414
   D280       0.76823   0.00000   0.00021   0.00298   0.00319   0.77142
   D281      -2.61486   0.00000   0.00032   0.00273   0.00305  -2.61180
   D282       0.75379   0.00001   0.00008   0.00171   0.00178   0.75558
   D283      -2.62929   0.00001   0.00019   0.00145   0.00165  -2.62765
   D284       1.54958   0.00000   0.00017   0.00220   0.00237   1.55195
   D285      -2.66988   0.00000   0.00055   0.00338   0.00394  -2.66594
   D286       1.61062   0.00000   0.00006   0.00141   0.00147   1.61209
   D287      -2.60884   0.00001   0.00044   0.00259   0.00304  -2.60581
   D288       1.29421  -0.00001   0.00002   0.00158   0.00161   1.29582
   D289      -2.92525  -0.00001   0.00041   0.00276   0.00317  -2.92208
   D290       1.20232  -0.00001  -0.00005   0.00232   0.00227   1.20460
   D291      -3.01714   0.00000   0.00034   0.00350   0.00383  -3.01330
   D292       2.00785  -0.00001  -0.00004   0.00078   0.00075   2.00860
   D293      -2.21161   0.00000   0.00035   0.00196   0.00231  -2.20930
   D294       1.99434   0.00000   0.00036   0.00085   0.00121   1.99556
   D295      -2.22512   0.00000   0.00075   0.00203   0.00277  -2.22234
   D296      -2.26070  -0.00001  -0.00054  -0.00011  -0.00065  -2.26135
   D297      -0.19697  -0.00001  -0.00015   0.00106   0.00092  -0.19606
   D298      -2.24906  -0.00001  -0.00029   0.00071   0.00042  -2.24864
   D299      -0.18533   0.00000   0.00009   0.00189   0.00198  -0.18335
   D300      -1.86499   0.00000  -0.00011   0.00094   0.00082  -1.86417
   D301       0.19873   0.00000   0.00028   0.00211   0.00238   0.20112
   D302      -1.81517   0.00000   0.00011   0.00205   0.00215  -1.81302
   D303       0.24855   0.00000   0.00049   0.00323   0.00371   0.25227
   D304      -2.60406   0.00001  -0.00016   0.00111   0.00095  -2.60311
   D305      -0.54034   0.00001   0.00022   0.00229   0.00251  -0.53783
   D306      -2.73351   0.00002  -0.00014   0.00134   0.00120  -2.73231
   D307      -0.66978   0.00002   0.00024   0.00252   0.00276  -0.66702
   D308       1.52625   0.00001   0.00037   0.00171   0.00208   1.52833
   D309      -2.69321   0.00001   0.00075   0.00289   0.00364  -2.68957
   D310       2.62949  -0.00001   0.00028   0.00109   0.00138   2.63087
   D311      -1.58997   0.00000   0.00067   0.00227   0.00294  -1.58703
   D312       3.02079  -0.00001  -0.00018   0.00034   0.00016   3.02095
   D313      -1.19867   0.00000   0.00020   0.00152   0.00172  -1.19695
   D314      -0.53611   0.00000   0.00006   0.00324   0.00329  -0.53282
   D315       1.52762   0.00000   0.00044   0.00441   0.00485   1.53247
   D316      -0.36888  -0.00001  -0.00003   0.00297   0.00295  -0.36593
   D317       1.69484  -0.00001   0.00036   0.00415   0.00451   1.69935
   D318       0.06017   0.00000   0.00001   0.00301   0.00302   0.06319
   D319       2.12390   0.00001   0.00039   0.00419   0.00458   2.12848
   D320       0.20046   0.00001   0.00046   0.00293   0.00339   0.20385
   D321       2.26418   0.00001   0.00085   0.00410   0.00496   2.26914
   D322      -0.61008   0.00000  -0.00012   0.00280   0.00268  -0.60740
   D323       1.45365   0.00000   0.00026   0.00398   0.00424   1.45789
   D324      -0.65127   0.00001  -0.00040   0.00168   0.00128  -0.64999
   D325       1.41246   0.00001  -0.00002   0.00286   0.00284   1.41529
   D326       0.10391   0.00000   0.00008  -0.00036  -0.00029   0.10362
   D327       2.27083  -0.00001   0.00002  -0.00068  -0.00066   2.27017
   D328       0.40619   0.00001   0.00040   0.00024   0.00063   0.40682
   D329       2.57311   0.00000   0.00035  -0.00008   0.00026   2.57338
   D330       0.78209   0.00000   0.00028  -0.00103  -0.00076   0.78132
   D331       2.94901   0.00000   0.00022  -0.00134  -0.00113   2.94788
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   D333      -3.05194  -0.00001   0.00024  -0.00159  -0.00135  -3.05329
   D334       0.33179   0.00001   0.00102   0.00199   0.00301   0.33480
   D335       2.49872   0.00000   0.00097   0.00167   0.00264   2.50135
   D336       0.72713   0.00001   0.00136   0.00121   0.00256   0.72969
   D337       2.89405   0.00000   0.00130   0.00090   0.00220   2.89625
   D338      -2.32507   0.00001  -0.00008   0.00115   0.00108  -2.32399
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   D378       1.06497   0.00001   0.00175  -0.00010   0.00165   1.06663
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   D382      -2.16843  -0.00001   0.00033  -0.00007   0.00027  -2.16816
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   D384      -1.92543   0.00000   0.00064  -0.00052   0.00013  -1.92530
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   D391       2.64157   0.00000  -0.00143   0.01162   0.01017   2.65174
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   D393      -0.63828   0.00001  -0.00125   0.00878   0.00753  -0.63075
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   D399      -0.11693  -0.00001  -0.00128   0.00600   0.00472  -0.11221
   D400       2.52159   0.00001   0.00123   0.00005   0.00128   2.52287
   D401       0.06315   0.00000  -0.00114   0.00872   0.00759   0.07074
   D402      -1.53419   0.00001   0.00069   0.00097   0.00165  -1.53254
   D403       2.29055   0.00001  -0.00169   0.00965   0.00796   2.29851
   D404      -2.62948   0.00001   0.00079   0.00102   0.00181  -2.62767
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   D406      -2.97723   0.00000   0.00094   0.00174   0.00267  -2.97455
   D407       0.84752   0.00000  -0.00144   0.01042   0.00898   0.85649
   D408       1.92553  -0.00001   0.00005  -0.00259  -0.00255   1.92298
   D409       2.43048   0.00001   0.00051  -0.00278  -0.00228   2.42820
   D410       2.66298  -0.00001   0.00001  -0.00384  -0.00384   2.65914
   D411       2.89267  -0.00001  -0.00023  -0.00338  -0.00360   2.88907
   D412       2.87579   0.00000   0.00170  -0.00306  -0.00137   2.87442
   D413      -2.90445   0.00000   0.00118  -0.00412  -0.00294  -2.90739
   D414      -0.70982   0.00000  -0.00060  -0.00243  -0.00302  -0.71283
   D415      -0.33469   0.00000  -0.00066  -0.00216  -0.00280  -0.33749
   D416      -0.00626   0.00000  -0.00052  -0.00297  -0.00350  -0.00976
   D417       0.29849   0.00000  -0.00053  -0.00274  -0.00327   0.29522
   D418      -0.22593   0.00001  -0.00081  -0.00099  -0.00178  -0.22772
   D419       0.06633   0.00002  -0.00089  -0.00034  -0.00123   0.06510
   D420      -2.52548   0.00000  -0.00030  -0.00220  -0.00250  -2.52797
   D421      -2.14450   0.00001  -0.00035  -0.00233  -0.00267  -2.14717
   D422      -1.88104   0.00000  -0.00025  -0.00299  -0.00324  -1.88428
   D423      -1.56331   0.00000  -0.00052  -0.00316  -0.00368  -1.56699
   D424      -1.94962   0.00000  -0.00051  -0.00182  -0.00233  -1.95195
   D425       1.30018   0.00000  -0.00019  -0.00120  -0.00139   1.29879
   D426       2.47109   0.00001  -0.00024  -0.00071  -0.00095   2.47014
   D427       2.94784   0.00001  -0.00044  -0.00073  -0.00117   2.94667
   D428      -3.05647   0.00005   0.00018   0.00007   0.00025  -3.05622
   D429       0.02668   0.00002   0.00006   0.00178   0.00184   0.02852
   D430       0.05564   0.00000   0.00005  -0.00018  -0.00013   0.05551
   D431       3.13879  -0.00002  -0.00007   0.00154   0.00146   3.14025
   D432      -0.11469   0.00001  -0.00027   0.00436   0.00409  -0.11060
   D433       1.98501  -0.00003  -0.00028   0.00453   0.00425   1.98926
   D434      -2.21144   0.00000  -0.00026   0.00410   0.00384  -2.20760
   D435       3.08240   0.00004  -0.00016   0.00272   0.00256   3.08496
   D436      -1.10109   0.00000  -0.00017   0.00289   0.00272  -1.09837
   D437       0.98566   0.00003  -0.00015   0.00245   0.00230   0.98796
   D438      -2.35935   0.00004   0.00220   0.00533   0.00753  -2.35182
   D439      -0.26915   0.00002   0.00231   0.00553   0.00784  -0.26131
   D440       1.83852   0.00003   0.00231   0.00556   0.00787   1.84639
   D441       0.72662   0.00001   0.00209   0.00697   0.00905   0.73568
   D442       2.81683   0.00000   0.00220   0.00717   0.00936   2.82620
   D443      -1.35869   0.00000   0.00220   0.00720   0.00940  -1.34929
   D444       0.00338   0.00000  -0.00039   0.00016  -0.00023   0.00315
   D445       3.11269  -0.00001  -0.00007   0.00029   0.00022   3.11291
   D446      -3.11592   0.00004  -0.00048   0.00023  -0.00025  -3.11617
   D447      -0.00662   0.00003  -0.00016   0.00036   0.00020  -0.00642
   D448       2.43693  -0.00001   0.00038  -0.00185  -0.00147   2.43546
   D449      -1.76236  -0.00001   0.00039  -0.00184  -0.00145  -1.76381
   D450       0.34560  -0.00002   0.00038  -0.00193  -0.00155   0.34404
   D451      -0.67389   0.00000   0.00008  -0.00198  -0.00190  -0.67579
   D452       1.41001  -0.00001   0.00008  -0.00197  -0.00189   1.40813
   D453      -2.76521  -0.00001   0.00007  -0.00206  -0.00199  -2.76720
   D454       2.04057   0.00004  -0.00018   0.00174   0.00157   2.04214
   D455      -2.15781   0.00001  -0.00007   0.00141   0.00135  -2.15646
   D456      -0.06570   0.00005  -0.00014   0.00161   0.00147  -0.06423
   D457      -1.13180   0.00004   0.00012   0.00188   0.00200  -1.12979
   D458       0.95300   0.00000   0.00023   0.00155   0.00179   0.95479
   D459       3.04512   0.00004   0.00016   0.00174   0.00191   3.04703
   D460      -3.08465   0.00001   0.00011  -0.00030  -0.00019  -3.08484
   D461      -0.02281   0.00002   0.00026  -0.00028  -0.00003  -0.02284
   D462       0.07023   0.00003   0.00010  -0.00030  -0.00020   0.07003
   D463       3.13207   0.00004   0.00024  -0.00029  -0.00004   3.13203
   D464       1.91407   0.00000   0.00168   0.00032   0.00200   1.91607
   D465      -2.28714   0.00001   0.00155   0.00082   0.00237  -2.28477
   D466      -0.19395   0.00000   0.00173   0.00025   0.00198  -0.19197
   D467      -1.15098   0.00000   0.00155   0.00035   0.00190  -1.14909
   D468       0.93099   0.00000   0.00142   0.00085   0.00227   0.93326
   D469       3.02419   0.00000   0.00159   0.00028   0.00187   3.02606
   D470      -1.63457   0.00000   0.00086   0.00427   0.00513  -1.62944
   D471       0.47011   0.00002   0.00081   0.00433   0.00515   0.47526
   D472       2.56070  -0.00001   0.00080   0.00405   0.00486   2.56556
   D473       1.43094   0.00000   0.00100   0.00424   0.00524   1.43618
   D474      -2.74757   0.00002   0.00095   0.00430   0.00525  -2.74231
   D475      -0.65698   0.00000   0.00093   0.00402   0.00496  -0.65201
   D476       0.01393  -0.00001   0.00020  -0.00133  -0.00113   0.01280
   D477      -3.02238  -0.00003   0.00034   0.00104   0.00138  -3.02099
   D478       3.12636   0.00003   0.00020  -0.00111  -0.00091   3.12545
   D479       0.09006   0.00002   0.00034   0.00126   0.00160   0.09166
   D480      -0.28173  -0.00002   0.00116   0.00363   0.00479  -0.27694
   D481       1.82612   0.00002   0.00116   0.00403   0.00519   1.83130
   D482      -2.37435   0.00000   0.00128   0.00377   0.00505  -2.36930
   D483       2.75992   0.00000   0.00102   0.00142   0.00243   2.76235
   D484      -1.41542   0.00004   0.00102   0.00181   0.00283  -1.41259
   D485       0.66730   0.00002   0.00114   0.00156   0.00269   0.66999
   D486      -0.10809  -0.00002  -0.00033  -0.00464  -0.00497  -0.11306
   D487       1.98743   0.00002  -0.00024  -0.00412  -0.00436   1.98307
   D488      -2.21121   0.00001  -0.00021  -0.00444  -0.00465  -2.21586
   D489       3.13332  -0.00003  -0.00020  -0.00241  -0.00261   3.13071
   D490      -1.05435   0.00001  -0.00011  -0.00189  -0.00200  -1.05635
   D491       1.03020   0.00000  -0.00008  -0.00221  -0.00229   1.02791
         Item               Value     Threshold  Converged?
 Maximum Force            0.000158     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.017866     0.001800     NO 
 RMS     Displacement     0.002518     0.001200     NO 
 Predicted change in Energy=-3.240849D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:33:39 2016, MaxMem=  2952790016 cpu:        10.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.786953   -0.578765    1.631664
      2          6           0       -2.046145    1.128270   -1.395356
      3          8           0       -2.575556    0.145945   -1.943576
      4          7           0       -0.757244    1.193146   -0.963016
      5          1           0       -2.612393    2.056570   -1.180024
      6          6           0       -0.250707    2.355806   -0.233286
      7          1           0       -1.016920    3.143345   -0.215796
      8          1           0        0.003607    2.069034    0.800038
      9          1           0        0.656710    2.740560   -0.726492
     10          6           0        0.174418    0.076845   -1.141311
     11          1           0        0.726977   -0.088457   -0.203182
     12          1           0       -0.388182   -0.830058   -1.398475
     13          1           0        0.897702    0.304186   -1.941756
     14          6           0       -2.081891   -3.939692    2.706156
     15          8           0       -2.235233   -3.740122    3.923137
     16          7           0       -2.986169   -3.636590    1.735254
     17          1           0       -1.150640   -4.378009    2.295125
     18          6           0       -4.276068   -3.017391    2.052145
     19          1           0       -4.500869   -2.253099    1.292024
     20          1           0       -5.081372   -3.770847    2.044746
     21          1           0       -4.220926   -2.548325    3.042718
     22          6           0       -2.702027   -3.876949    0.319920
     23          1           0       -3.409405   -4.614419   -0.093683
     24          1           0       -2.808905   -2.935136   -0.243680
     25          1           0       -1.674998   -4.251312    0.207232
     26          6           0        1.608169    0.358892    2.572092
     27          8           0        1.461954    1.385393    3.256857
     28          7           0        1.204955   -0.891432    2.927971
     29          1           0        2.085319    0.381591    1.572505
     30          6           0        1.481420   -2.057435    2.087297
     31          1           0        2.232861   -2.707192    2.566737
     32          1           0        0.557340   -2.641283    1.946483
     33          1           0        1.852516   -1.724580    1.108090
     34          6           0        0.560405   -1.140917    4.219803
     35          1           0        1.304192   -1.442216    4.977185
     36          1           0        0.050791   -0.228047    4.553358
     37          1           0       -0.173139   -1.951152    4.102156
     38          6           0       -4.605333    0.981960    2.898661
     39          8           0       -4.855874    1.540239    1.816356
     40          7           0       -3.550670    1.270911    3.709254
     41          1           0       -5.228373    0.153672    3.291261
     42          6           0       -2.583384    2.319941    3.373279
     43          1           0       -2.682996    2.585809    2.312975
     44          1           0       -2.753342    3.213603    3.995887
     45          1           0       -1.566292    1.944799    3.565202
     46          6           0       -3.247232    0.464542    4.892219
     47          1           0       -4.042399   -0.276751    5.050741
     48          1           0       -2.285149   -0.057364    4.749299
     49          1           0       -3.167783    1.112611    5.779703
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484824   0.000000
     3  O    3.732217   1.243296   0.000000
     4  N    3.306408   1.361027   2.316115   0.000000
     5  H    3.941058   1.108488   2.057877   2.057710   0.000000
     6  C    3.801288   2.465937   3.635038   1.463168   2.561916
     7  H    4.226129   2.551704   3.794598   2.104529   2.157857
     8  H    3.302809   3.147423   4.228211   2.110552   3.280892
     9  H    4.748716   3.217497   4.319822   2.109431   3.370544
    10  C    3.459218   2.470007   2.865442   1.464893   3.418644
    11  H    3.150699   3.254521   3.740406   2.103037   4.087389
    12  H    3.346857   2.565911   2.456485   2.102187   3.650679
    13  H    4.555909   3.105464   3.476861   2.118261   3.996480
    14  C    3.540812   6.519810   6.209359   6.446979   7.165123
    15  O    3.930138   7.212723   7.045258   7.099020   7.732150
    16  N    3.286205   5.778257   5.292444   5.964488   6.407076
    17  H    3.908879   6.688849   6.361064   6.465912   7.457694
    18  C    3.509900   5.834751   5.372543   6.261145   6.241780
    19  H    3.206882   4.968032   4.464454   5.565657   5.315131
    20  H    4.605781   6.711799   6.125935   7.237813   7.103083
    21  H    3.434306   6.159831   5.901649   6.483949   6.451665
    22  C    3.665522   5.331469   4.617692   5.579782   6.120826
    23  H    4.679282   6.044113   5.174792   6.443408   6.805693
    24  H    3.180218   4.291786   3.526636   4.665777   5.082567
    25  H    3.940703   5.625473   4.977233   5.643924   6.526298
    26  C    3.645608   5.448541   6.159559   4.334530   5.896917
    27  O    4.129717   5.832321   6.699420   4.771701   6.061081
    28  N    3.275620   5.774080   6.253030   4.830680   6.335494
    29  H    3.990022   5.141471   5.843125   3.894567   5.696531
    30  C    3.616121   5.892479   6.128775   4.988217   6.660310
    31  H    4.643648   6.979888   7.183605   6.050828   7.759390
    32  H    3.138280   5.670587   5.719811   4.989605   6.472409
    33  H    3.851331   5.441099   5.693799   4.428708   6.282354
    34  C    3.539006   6.593430   7.034025   5.834866   7.031977
    35  H    4.636080   7.644700   8.091455   6.817671   8.092736
    36  H    3.469380   6.451661   7.017672   5.753528   6.721882
    37  H    3.254408   6.573708   6.835225   5.990305   7.064929
    38  C    3.461850   5.000943   5.316594   5.455724   4.665005
    39  O    3.733975   4.287119   4.613133   4.964287   3.778637
    40  N    3.293688   5.323625   5.845587   5.444206   5.040106
    41  H    3.890257   5.748113   5.868648   6.258624   5.518765
    42  C    3.474193   4.944550   5.744150   4.838171   4.561006
    43  H    3.358810   4.035061   4.907414   4.047239   3.533570
    44  H    4.572254   5.823593   6.687253   5.714662   5.305530
    45  H    3.186791   5.050160   5.882273   4.660933   4.860452
    46  C    3.721844   6.435584   6.876100   6.404270   6.309494
    47  H    4.107108   6.892843   7.158965   7.008432   6.805273
    48  H    3.199953   6.262558   6.702257   6.043906   6.303386
    49  H    4.687608   7.262217   7.806038   7.161106   7.045376
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098911   0.000000
     8  H    1.102121   1.796535   0.000000
     9  H    1.102132   1.795574   1.791029   0.000000
    10  C    2.489760   3.417497   2.786903   2.738623   0.000000
    11  H    2.632716   3.672313   2.486862   2.877869   1.101240
    12  H    3.395040   4.193087   3.659466   3.780566   1.097782
    13  H    2.906348   3.834780   3.381055   2.733288   1.102514
    14  C    7.185182   7.735721   6.639833   7.994297   6.002208
    15  O    7.640323   8.123865   6.965088   8.484199   6.784120
    16  N    6.875079   7.324757   6.509035   7.745889   5.661584
    17  H    7.248932   7.930535   6.718031   7.941708   5.780190
    18  C    7.092106   7.329411   6.764252   8.075093   6.291206
    19  H    6.452321   6.597957   6.262044   7.457323   5.762643
    20  H    8.127769   8.332819   7.842864   9.110640   7.251138
    21  H    7.109524   7.299224   6.648029   8.122227   6.611857
    22  C    6.720285   7.239551   6.550243   7.494499   5.103098
    23  H    7.653816   8.119224   7.557508   8.427897   5.995770
    24  H    5.876951   6.337186   5.834492   6.667617   4.333357
    25  H    6.773232   7.435925   6.566271   7.429332   4.896105
    26  C    3.913213   4.734617   2.939283   4.178310   3.990558
    27  O    4.006995   4.614601   2.937704   4.283920   4.765913
    28  N    4.759942   5.576686   3.838710   5.181412   4.307971
    29  H    3.551820   4.522079   2.788852   3.590410   3.333048
    30  C    5.278453   6.212412   4.568229   5.623016   4.085011
    31  H    6.296204   7.247921   5.559059   6.558019   5.073230
    32  H    5.511373   6.373042   4.879349   6.009900   4.131503
    33  H    4.782509   5.803709   4.231415   4.973240   3.334809
    34  C    5.719700   6.365328   4.723198   6.288161   5.511213
    35  H    6.632623   7.306298   5.609720   7.102590   6.404680
    36  H    5.447858   5.937266   4.400707   6.087412   5.704164
    37  H    6.111625   6.731314   5.205490   6.783558   5.632718
    38  C    5.537084   5.219974   5.179601   6.627481   6.323497
    39  O    5.106245   4.630028   4.992703   6.188330   6.016074
    40  N    5.254558   5.033083   4.661912   6.287906   6.231377
    41  H    6.484519   6.242911   6.103149   7.580801   6.988830
    42  C    4.295343   4.001658   3.657464   5.242447   5.746169
    43  H    3.528792   3.079178   3.126319   4.518401   5.137295
    44  H    4.988476   4.556135   4.373128   5.844064   6.693416
    45  H    4.040817   4.004282   3.182161   4.898328   5.354492
    46  C    6.231118   6.184019   5.467018   7.210474   6.947048
    47  H    7.016283   6.970438   6.319917   8.035062   7.499872
    48  H    5.898177   6.041946   5.035537   6.816685   6.384885
    49  H    6.797860   6.685515   5.980763   7.720593   7.755227
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795070   0.000000
    13  H    1.790518   1.798656   0.000000
    14  C    5.584443   5.420928   6.963589   0.000000
    15  O    6.255866   6.340317   7.782589   1.242733   0.000000
    16  N    5.489466   4.944331   6.643386   1.360970   2.315482
    17  H    5.307282   5.178029   6.638511   1.108285   2.057587
    18  C    6.220580   5.639757   7.331577   2.468356   2.861461
    19  H    5.852494   5.116446   6.792762   3.270446   3.777181
    20  H    7.235336   6.521505   8.261199   3.076175   3.410249
    21  H    6.408475   6.112819   7.692993   2.573838   2.477598
    22  C    5.136571   4.194079   5.962811   2.466299   3.635904
    23  H    6.132371   5.015142   6.794058   3.171222   4.275269
    24  H    4.539568   3.409516   5.207265   3.199877   4.282461
    25  H    4.823617   3.992389   5.655926   2.550939   3.792509
    26  C    2.945975   4.600481   4.569747   5.666776   5.779185
    27  O    3.832010   5.477531   5.339754   6.420175   6.354843
    28  N    3.267622   4.610855   5.023758   4.488257   4.576056
    29  H    2.284536   4.051299   3.710318   6.109361   6.417255
    30  C    3.113255   4.141555   4.706512   4.077140   4.473841
    31  H    4.098526   5.110421   5.583687   4.489496   4.782325
    32  H    3.341670   3.919603   4.889789   3.037847   3.593477
    33  H    2.379742   3.479047   3.785383   4.789582   5.356920
    34  C    4.549529   5.706268   6.337737   4.135940   3.828769
    35  H    5.385355   6.624795   7.147511   4.781268   4.349589
    36  H    4.806390   5.998285   6.571685   4.662274   4.237659
    37  H    4.776587   5.617832   6.539276   3.089732   2.735817
    38  C    6.261050   6.287539   7.360191   5.534209   5.381913
    39  O    6.156249   5.992805   6.982469   6.206156   6.260072
    40  N    5.954268   6.364299   7.256480   5.505806   5.185227
    41  H    6.909121   6.810933   8.058283   5.195991   4.951746
    42  C    5.435986   6.124625   6.665645   6.315025   6.094909
    43  H    5.011054   5.541587   6.010819   6.564913   6.542975
    44  H    6.375610   7.144530   7.553174   7.299581   6.973379
    45  H    4.857359   5.807398   6.252157   5.969174   5.735323
    46  C    6.485619   7.030148   7.994336   5.053134   4.431982
    47  H    7.098318   7.433158   8.581207   4.770514   4.065990
    48  H    5.796632   6.480020   7.418320   4.391836   3.774618
    49  H    7.239243   7.938916   8.763713   6.012621   5.278778
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057261   0.000000
    18  C    1.465492   3.417400   0.000000
    19  H    2.098765   4.092125   1.101118   0.000000
    20  H    2.122188   3.985220   1.102844   1.790847   0.000000
    21  H    2.102000   3.651478   1.097406   1.797346   1.797464
    22  C    1.463448   2.561113   2.493401   2.611074   2.940674
    23  H    2.116670   3.296106   2.811793   2.947424   2.842528
    24  H    2.107045   3.358163   2.725829   2.384597   3.331578
    25  H    2.105209   2.156455   3.419332   3.627006   3.900088
    26  C    6.145903   5.488714   6.803961   6.766197   7.879264
    27  O    6.879054   6.400577   7.332171   7.256339   8.418500
    28  N    5.150145   4.255062   5.943769   6.089900   6.970583
    29  H    6.472423   5.800639   7.228443   7.099164   8.296217
    30  C    4.751528   3.515111   5.837073   6.038090   6.782907
    31  H    5.365949   3.783316   6.536603   6.868348   7.409577
    32  H    3.686694   2.460685   4.849171   5.115123   5.751577
    33  H    5.240418   4.179556   6.334204   6.377982   7.289947
    34  C    4.997955   4.136524   5.622399   5.951919   6.593713
    35  H    5.807977   4.673172   6.494332   6.923632   7.402510
    36  H    5.364979   4.874960   5.723479   5.954388   6.721879
    37  H    4.044263   3.179703   4.708869   5.168874   5.624498
    38  C    5.030528   6.405344   4.101197   3.613559   4.852315
    39  O    5.504719   6.998832   4.600409   3.845825   5.320775
    40  N    5.319672   6.298429   4.654219   4.377731   5.525664
    41  H    4.670624   6.177081   3.535242   3.212283   4.120347
    42  C    6.190768   6.933809   5.753059   5.377831   6.715850
    43  H    6.256511   7.130442   5.831103   5.268970   6.799356
    44  H    7.217327   7.943162   6.702396   6.344254   7.616378
    45  H    6.042902   6.462489   5.852825   5.603698   6.880130
    46  C    5.182071   5.881402   4.609597   4.681729   5.423163
    47  H    4.837002   5.725033   4.069065   4.271312   4.724847
    48  H    4.731464   5.096867   4.472154   4.656545   5.378050
    49  H    6.240630   6.808675   5.672733   5.765795   6.438935
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389089   0.000000
    23  H    3.842437   1.102413   0.000000
    24  H    3.597754   1.102759   1.789718   0.000000
    25  H    4.173954   1.098924   1.797378   1.794822   0.000000
    26  C    6.530830   6.449218   7.550910   6.187871   6.133982
    27  O    6.914847   7.325065   8.423420   7.011489   7.135343
    28  N    5.674385   5.565945   6.654573   5.508827   5.194742
    29  H    7.107366   6.528615   7.611064   6.184872   6.121090
    30  C    5.802633   4.892390   5.934224   4.960918   4.279102
    31  H    6.473264   5.547038   6.523075   5.776660   4.819017
    32  H    4.903284   3.846564   4.877562   4.026757   3.255844
    33  H    6.427132   5.098800   6.122356   5.002157   4.431622
    34  C    5.121274   5.773943   6.814013   5.873173   5.547279
    35  H    5.957564   6.608164   7.615417   6.812034   6.286417
    36  H    5.090509   6.230127   7.266925   6.206268   6.168777
    37  H    4.226536   4.940575   5.930555   5.177044   4.766209
    38  C    3.554073   5.820779   6.457850   5.333395   6.574024
    39  O    4.315493   6.018663   6.604569   5.335055   6.800685
    40  N    3.934473   6.221595   7.008524   5.819514   6.802739
    41  H    2.894393   5.608672   6.123821   5.281134   6.445277
    42  C    5.146923   6.909306   7.796632   6.383501   7.350536
    43  H    5.408982   6.763126   7.626464   6.085489   7.224711
    44  H    6.021806   7.986945   8.856237   7.468869   8.440479
    45  H    5.244829   6.761250   7.733553   6.313909   7.048374
    46  C    3.666892   6.328642   7.119084   6.174739   6.830834
    47  H    3.037117   6.094152   6.758783   6.051398   6.697858
    48  H    3.586717   5.863652   6.744270   5.786686   6.212234
    49  H    4.690698   7.410929   8.206943   7.265961   7.877341
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242572   0.000000
    28  N    1.361081   2.314766   0.000000
    29  H    1.107864   2.057485   2.057405   0.000000
    30  C    2.467737   3.636112   1.463806   2.564869   0.000000
    31  H    3.129080   4.221352   2.117561   3.248207   1.103045
    32  H    3.239858   4.330072   2.108246   3.407689   1.102103
    33  H    2.558097   3.800220   2.103672   2.169294   1.098795
    34  C    2.462151   2.849964   1.465100   3.413441   2.497169
    35  H    3.020077   3.313576   2.124263   3.940594   2.959959
    36  H    2.587535   2.505091   2.100966   3.660116   3.387449
    37  H    3.294003   3.810589   2.097823   4.116000   2.609314
    38  C    6.253197   6.091226   6.104908   6.847186   6.851627
    39  O    6.614422   6.481819   6.624376   7.041455   7.292323
    40  N    5.360834   5.034300   5.282244   6.092698   6.247445
    41  H    6.877328   6.802853   6.527782   7.516393   7.166579
    42  C    4.696460   4.153516   4.986254   5.366263   6.110466
    43  H    4.841529   4.417299   5.252199   5.305064   6.241235
    44  H    5.403642   4.653734   5.801712   6.107840   7.025650
    45  H    3.684912   3.094881   4.016227   4.443954   5.243151
    46  C    5.382292   5.069399   5.051624   6.281997   6.048810
    47  H    6.202957   6.023176   5.693743   7.076756   6.516550
    48  H    4.480115   4.283656   4.024144   5.420857   5.027284
    49  H    5.802291   5.279548   5.591905   6.769785   6.730390
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787855   0.000000
    33  H    1.799399   1.794638   0.000000
    34  C    2.825412   2.723801   3.419498   0.000000
    35  H    2.876257   3.343756   3.917944   1.103462   0.000000
    36  H    3.854121   3.588327   4.166016   1.097404   1.795787
    37  H    2.952616   2.378404   3.622022   1.099276   1.790865
    38  C    7.776947   6.378693   7.227400   5.739065   6.717096
    39  O    8.297825   6.841414   7.494210   6.503940   7.538720
    40  N    7.111954   5.940402   6.703241   4.793591   5.704244
    41  H    8.023683   6.564654   7.644152   6.004008   6.932792
    42  C    7.008480   6.042651   6.416107   4.751584   5.642658
    43  H    7.228133   6.160892   6.371975   5.295671   6.262641
    44  H    7.871499   7.031384   7.344314   5.476577   6.253253
    45  H    6.088638   5.306808   5.584800   3.804337   4.658889
    46  C    6.745308   5.726978   6.717091   4.186615   4.935424
    47  H    7.173298   6.032001   7.238144   4.756369   5.472637
    48  H    5.674291   4.755225   5.758323   3.090572   3.853975
    49  H    7.353979   6.531603   7.421389   4.627209   5.212460
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795220   0.000000
    38  C    5.087399   5.449394   0.000000
    39  O    5.890109   6.272376   1.243314   0.000000
    40  N    3.991229   4.684419   1.361201   2.314986   0.000000
    41  H    5.441339   5.535633   1.108321   2.058317   2.058550
    42  C    3.850157   4.958102   2.470573   2.862892   1.465942
    43  H    4.517820   5.484941   2.571136   2.461960   2.105092
    44  H    4.474248   5.774377   3.100646   3.459934   2.119420
    45  H    2.883170   4.172245   3.256855   3.747464   2.100627
    46  C    3.386955   3.988712   2.467070   3.633977   1.463459
    47  H    4.123587   4.321413   2.555914   3.797953   2.106334
    48  H    2.350350   2.909608   3.144567   4.214631   2.108921
    49  H    3.696012   4.600946   3.222425   4.329046   2.111497
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419856   0.000000
    43  H    3.653941   1.097658   0.000000
    44  H    3.998181   1.102342   1.797572   0.000000
    45  H    4.085832   1.100928   1.796106   1.790095   0.000000
    46  C    2.566053   2.488047   3.386833   2.933372   2.603400
    47  H    2.165079   3.418394   4.187791   3.867423   3.643243
    48  H    3.291349   2.762960   3.616672   3.389108   2.434645
    49  H    3.370154   2.755004   3.797834   2.787101   2.856804
                   46         47         48         49
    46  C    0.000000
    47  H    1.098607   0.000000
    48  H    1.103818   1.796365   0.000000
    49  H    1.101787   1.796292   1.791540   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2168703      0.1957167      0.1841134
 Leave Link  202 at Mon Nov 14 05:33:39 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.8139158015 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854828138 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.6284329877 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4045
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.20D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     233
 GePol: Fraction of low-weight points (<1% of avg)   =       5.76%
 GePol: Cavity surface area                          =    468.385 Ang**2
 GePol: Cavity volume                                =    458.605 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040459112 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.6243870765 Hartrees.
 Leave Link  301 at Mon Nov 14 05:33:39 2016, MaxMem=  2952790016 cpu:         1.8
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11995 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:33:40 2016, MaxMem=  2952790016 cpu:        14.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:33:40 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=    -0.000464   -0.001015    0.000757
         Rot=    1.000000   -0.000008   -0.000016   -0.000015 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:33:41 2016, MaxMem=  2952790016 cpu:         6.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49086075.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.88D-15 for   3704.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.05D-14 for   2130   1112.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.33D-15 for   3947.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.65D-10 for   2491   2486.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.55D-15 for     32.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.12D-14 for   1365     26.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for    540.
 Iteration    2 A^-1*A deviation from orthogonality  is 7.29D-16 for   2066    476.
 E= -1013.45139620967    
 DIIS: error= 1.41D-04 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45139620967     IErMin= 1 ErrMin= 1.41D-04
 ErrMax= 1.41D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.41D-05 BMatP= 4.41D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.41D-03
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.46D-05 MaxDP=1.21D-03              OVMax= 1.79D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.46D-05    CP:  1.00D+00
 E= -1013.45146948887     Delta-E=       -0.000073279207 Rises=F Damp=F
 DIIS: error= 4.33D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45146948887     IErMin= 2 ErrMin= 4.33D-05
 ErrMax= 4.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 4.41D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.315D-01 0.969D+00
 Coeff:      0.315D-01 0.969D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.69D-06 MaxDP=6.47D-04 DE=-7.33D-05 OVMax= 1.06D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.41D-06    CP:  1.00D+00  9.34D-01
 E= -1013.45146429968     Delta-E=        0.000005189194 Rises=F Damp=F
 DIIS: error= 1.28D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45146948887     IErMin= 2 ErrMin= 4.33D-05
 ErrMax= 1.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.37D-06 BMatP= 1.14D-06
 IDIUse=3 WtCom= 4.69D-01 WtEn= 5.31D-01
 Coeff-Com:  0.257D-02 0.725D+00 0.273D+00
 Coeff-En:   0.000D+00 0.805D+00 0.195D+00
 Coeff:      0.121D-02 0.767D+00 0.232D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.02D-06 MaxDP=4.39D-04 DE= 5.19D-06 OVMax= 7.31D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.03D-06    CP:  1.00D+00  9.61D-01  4.07D-01
 E= -1013.45147041287     Delta-E=       -0.000006113190 Rises=F Damp=F
 DIIS: error= 9.11D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147041287     IErMin= 4 ErrMin= 9.11D-06
 ErrMax= 9.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.61D-08 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.838D-04 0.256D+00 0.225D-01 0.722D+00
 Coeff:     -0.838D-04 0.256D+00 0.225D-01 0.722D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.15D-06 MaxDP=7.30D-05 DE=-6.11D-06 OVMax= 5.88D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.21D-07    CP:  1.00D+00  9.70D-01  3.16D-01  7.72D-01
 E= -1013.45147049079     Delta-E=       -0.000000077918 Rises=F Damp=F
 DIIS: error= 3.76D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147049079     IErMin= 5 ErrMin= 3.76D-06
 ErrMax= 3.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.42D-09 BMatP= 9.61D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.330D-04 0.140D+00 0.612D-02 0.452D+00 0.402D+00
 Coeff:     -0.330D-04 0.140D+00 0.612D-02 0.452D+00 0.402D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.19D-07 MaxDP=1.44D-05 DE=-7.79D-08 OVMax= 1.56D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.58D-07    CP:  1.00D+00  9.70D-01  3.15D-01  7.85D-01  7.14D-01
 E= -1013.45147049710     Delta-E=       -0.000000006314 Rises=F Damp=F
 DIIS: error= 6.01D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147049710     IErMin= 6 ErrMin= 6.01D-07
 ErrMax= 6.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-10 BMatP= 7.42D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-04 0.464D-01 0.105D-02 0.159D+00 0.192D+00 0.602D+00
 Coeff:     -0.175D-04 0.464D-01 0.105D-02 0.159D+00 0.192D+00 0.602D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.85D-08 MaxDP=2.50D-06 DE=-6.31D-09 OVMax= 3.05D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.35D-08    CP:  1.00D+00  9.70D-01  3.16D-01  7.88D-01  7.16D-01
                    CP:  8.79D-01
 E= -1013.45147049729     Delta-E=       -0.000000000188 Rises=F Damp=F
 DIIS: error= 2.12D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45147049729     IErMin= 7 ErrMin= 2.12D-07
 ErrMax= 2.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D-11 BMatP= 1.89D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.942D-05 0.115D-01-0.995D-04 0.428D-01 0.672D-01 0.358D+00
 Coeff-Com:  0.520D+00
 Coeff:     -0.942D-05 0.115D-01-0.995D-04 0.428D-01 0.672D-01 0.358D+00
 Coeff:      0.520D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.70D-08 MaxDP=8.10D-07 DE=-1.88D-10 OVMax= 8.73D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.28D-08    CP:  1.00D+00  9.70D-01  3.16D-01  7.89D-01  7.16D-01
                    CP:  8.82D-01  7.52D-01
 E= -1013.45147049736     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 4.41D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45147049736     IErMin= 8 ErrMin= 4.41D-08
 ErrMax= 4.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-12 BMatP= 3.81D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.416D-05 0.278D-02-0.793D-04 0.111D-01 0.210D-01 0.139D+00
 Coeff-Com:  0.262D+00 0.563D+00
 Coeff:     -0.416D-05 0.278D-02-0.793D-04 0.111D-01 0.210D-01 0.139D+00
 Coeff:      0.262D+00 0.563D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.34D-09 MaxDP=3.79D-07 DE=-6.50D-11 OVMax= 6.27D-07

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45147050     A.U. after    8 cycles
            NFock=  8  Conv=0.63D-08     -V/T= 2.0213
 KE= 9.923522674676D+02 PE=-6.034766804752D+03 EE= 2.177338679710D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.54
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:35:24 2016, MaxMem=  2952790016 cpu:      1170.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11995 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     367
 Leave Link  701 at Mon Nov 14 05:35:32 2016, MaxMem=  2952790016 cpu:       100.2
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:35:32 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:36:09 2016, MaxMem=  2952790016 cpu:       441.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.19966340D+00-2.52351614D+00 3.30807574D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000154362    0.000140493    0.000013357
      2        6          -0.000066825   -0.000015185    0.000015465
      3        8           0.000021200    0.000027161    0.000022426
      4        7           0.000065570   -0.000007475   -0.000110350
      5        1           0.000019036    0.000024492    0.000047263
      6        6           0.000110935    0.000074211    0.000043036
      7        1          -0.000014864   -0.000011465    0.000053197
      8        1          -0.000099319   -0.000015387    0.000018393
      9        1          -0.000029406    0.000030116   -0.000001305
     10        6           0.000015832    0.000007786   -0.000010849
     11        1           0.000013456    0.000036375    0.000025390
     12        1          -0.000012457    0.000018507   -0.000003337
     13        1           0.000009089    0.000017276    0.000024095
     14        6          -0.000037435   -0.000030023   -0.000110905
     15        8          -0.000057383    0.000017727   -0.000055650
     16        7           0.000134935   -0.000127214   -0.000006216
     17        1          -0.000009406    0.000039596   -0.000047773
     18        6          -0.000097181    0.000008887    0.000041060
     19        1          -0.000007325    0.000019344   -0.000083924
     20        1          -0.000016328    0.000013531   -0.000036413
     21        1          -0.000000325   -0.000018125   -0.000006654
     22        6           0.000004565    0.000053789   -0.000002582
     23        1          -0.000052908    0.000049207   -0.000019889
     24        1          -0.000093416    0.000024527    0.000019981
     25        1          -0.000029004   -0.000037151   -0.000052561
     26        6           0.000028252   -0.000011544    0.000066613
     27        8           0.000020915   -0.000003692   -0.000032935
     28        7           0.000010678   -0.000040184    0.000052682
     29        1          -0.000036821   -0.000024227   -0.000011420
     30        6           0.000077736    0.000104469    0.000044539
     31        1          -0.000016465   -0.000047217   -0.000052490
     32        1          -0.000056094   -0.000069942   -0.000019299
     33        1           0.000001949   -0.000006163   -0.000006454
     34        6          -0.000015267   -0.000020489    0.000035160
     35        1          -0.000010459   -0.000030184   -0.000010901
     36        1           0.000010042   -0.000023847   -0.000011975
     37        1          -0.000003526   -0.000023361   -0.000038393
     38        6          -0.000047156    0.000010325   -0.000116918
     39        8           0.000021704   -0.000070472    0.000141166
     40        7           0.000094814   -0.000046407    0.000066512
     41        1          -0.000042856    0.000015440    0.000013470
     42        6          -0.000080714   -0.000011744    0.000043537
     43        1           0.000002118   -0.000014724    0.000016810
     44        1           0.000074852    0.000028586   -0.000004863
     45        1           0.000063465   -0.000032466    0.000024238
     46        6          -0.000025065   -0.000010166   -0.000029234
     47        1          -0.000001776   -0.000007630    0.000016295
     48        1           0.000008258    0.000017508    0.000027459
     49        1          -0.000003983   -0.000022869    0.000011145
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000154362 RMS     0.000048730
 Leave Link  716 at Mon Nov 14 05:36:09 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000147889 RMS     0.000012173
 Search for a local minimum.
 Step number 124 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .12173D-04 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    116  117  118  119  120
                                                    121  122  123  124
 DE= -4.43D-06 DEPred=-3.24D-06 R= 1.37D+00
 TightC=F SS=  1.41D+00  RLast= 7.12D-02 DXNew= 4.7664D-01 2.1360D-01
 Trust test= 1.37D+00 RLast= 7.12D-02 DXMaxT set to 2.83D-01
 ITU=  1  1  1  1 -1  1 -1  0 -1  1  1  1  0 -1  0  0 -1  1  1  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1
 ITU=  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1
 ITU=  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1  0
 ITU=  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00035   0.00079   0.00080   0.00096
     Eigenvalues ---    0.00108   0.00130   0.00173   0.00180   0.00232
     Eigenvalues ---    0.00236   0.00261   0.00331   0.00356   0.00461
     Eigenvalues ---    0.00565   0.00634   0.00682   0.00772   0.00826
     Eigenvalues ---    0.00852   0.00870   0.00949   0.00994   0.01084
     Eigenvalues ---    0.01140   0.01174   0.01227   0.01356   0.01462
     Eigenvalues ---    0.01564   0.01586   0.01721   0.01751   0.01778
     Eigenvalues ---    0.01781   0.01836   0.01889   0.01923   0.02036
     Eigenvalues ---    0.02141   0.02253   0.02284   0.02394   0.02452
     Eigenvalues ---    0.02535   0.02671   0.02879   0.03152   0.03296
     Eigenvalues ---    0.03362   0.04093   0.04493   0.04612   0.05320
     Eigenvalues ---    0.05590   0.05918   0.06019   0.06249   0.06287
     Eigenvalues ---    0.06495   0.06731   0.06912   0.07088   0.07273
     Eigenvalues ---    0.07411   0.07619   0.07661   0.08005   0.08161
     Eigenvalues ---    0.08337   0.08504   0.08545   0.08884   0.09002
     Eigenvalues ---    0.09218   0.09362   0.09499   0.09621   0.09770
     Eigenvalues ---    0.09994   0.10159   0.10438   0.10601   0.10737
     Eigenvalues ---    0.10920   0.11177   0.11298   0.11474   0.12947
     Eigenvalues ---    0.13286   0.14108   0.14417   0.14876   0.15183
     Eigenvalues ---    0.15363   0.15438   0.20894   0.22312   0.22842
     Eigenvalues ---    0.23369   0.24621   0.24853   0.25337   0.25960
     Eigenvalues ---    0.27024   0.27602   0.28127   0.28763   0.29411
     Eigenvalues ---    0.29682   0.30558   0.32775   0.32803   0.32858
     Eigenvalues ---    0.32944   0.33231   0.33304   0.33364   0.33371
     Eigenvalues ---    0.33392   0.33424   0.33460   0.33509   0.33730
     Eigenvalues ---    0.33813   0.33825   0.33841   0.33952   0.33968
     Eigenvalues ---    0.34072   0.34238   0.34276   0.36009   0.36730
     Eigenvalues ---    0.39503   0.40846   0.86153   0.86313   0.86891
     Eigenvalues ---    0.89664
 Eigenvalue     1 is   1.46D-05 Eigenvector:
                         D399      D397      D407      D395      D405
   1                   -0.22881  -0.22498  -0.22351  -0.22163  -0.22120
                         D403      D401      D393      D381      D379
   1                   -0.22043  -0.22038  -0.22021  -0.22019  -0.21928
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   124  123  122  121  120
 RFO step:  Lambda=-4.46508906D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.20D-04 SmlDif=  1.00D-05
 RMS Error=  0.6160064700D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.37885   -0.05290   -0.88990    0.58209   -0.01813
 Iteration  1 RMS(Cart)=  0.00142938 RMS(Int)=  0.00000433
 Iteration  2 RMS(Cart)=  0.00000204 RMS(Int)=  0.00000369
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000369
 ITry= 1 IFail=0 DXMaxC= 1.20D-02 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58536  -0.00003  -0.00163  -0.00110  -0.00273   6.58263
    R2        6.24821   0.00001   0.00258   0.00020   0.00278   6.25098
    R3        7.18339   0.00001   0.00497  -0.00042   0.00454   7.18793
    R4        6.24140  -0.00004   0.00708  -0.00127   0.00582   6.24722
    R5        6.53697   0.00003   0.00226   0.00060   0.00285   6.53983
    R6        5.95396   0.00001  -0.00290  -0.00090  -0.00381   5.95015
    R7        6.69117  -0.00001   0.00051  -0.00145  -0.00093   6.69023
    R8        6.21003   0.00003   0.00052   0.00071   0.00122   6.21125
    R9        6.63275   0.00003   0.00117   0.00042   0.00159   6.63434
   R10        6.06013   0.00001   0.00135  -0.00069   0.00066   6.06079
   R11        6.92683   0.00002   0.00012   0.00089   0.00101   6.92784
   R12        6.00974   0.00000  -0.00097   0.00057  -0.00040   6.00934
   R13        6.88920   0.00000   0.00155  -0.00076   0.00079   6.88999
   R14        6.19002   0.00001  -0.00004   0.00075   0.00071   6.19074
   R15        6.83348   0.00001   0.00083   0.00045   0.00127   6.83475
   R16        5.93049   0.00001  -0.00086   0.00004  -0.00081   5.92968
   R17        6.68775   0.00001  -0.00172   0.00030  -0.00142   6.68633
   R18        6.54195   0.00001   0.00058   0.00076   0.00134   6.54329
   R19        6.22417  -0.00001   0.00086  -0.00037   0.00048   6.22465
   R20        6.56527  -0.00001  -0.00001  -0.00135  -0.00136   6.56391
   R21        6.02216  -0.00001  -0.00154  -0.00050  -0.00204   6.02012
   R22        7.03326   0.00001   0.00121   0.00128   0.00247   7.03574
   R23        6.04704   0.00002  -0.00073   0.00274   0.00202   6.04905
   R24        2.34949  -0.00001   0.00002  -0.00003  -0.00001   2.34948
   R25        2.57197   0.00003   0.00003   0.00002   0.00007   2.57203
   R26        2.09474   0.00000  -0.00003  -0.00001  -0.00004   2.09470
   R27        2.76499   0.00005  -0.00016   0.00015   0.00000   2.76499
   R28        2.76825  -0.00001  -0.00024   0.00007  -0.00016   2.76808
   R29        2.07664   0.00000   0.00002   0.00000   0.00002   2.07666
   R30        2.08271  -0.00001  -0.00005  -0.00003  -0.00007   2.08264
   R31        2.08273  -0.00001   0.00004  -0.00005  -0.00001   2.08272
   R32        2.08104   0.00001   0.00011  -0.00004   0.00008   2.08112
   R33        2.07451   0.00001  -0.00003   0.00001  -0.00002   2.07449
   R34        2.08345  -0.00001  -0.00001  -0.00002  -0.00003   2.08342
   R35        2.34843  -0.00002  -0.00001  -0.00001  -0.00002   2.34841
   R36        2.57186  -0.00009   0.00003  -0.00017  -0.00012   2.57174
   R37        2.09436  -0.00001  -0.00001  -0.00002  -0.00003   2.09432
   R38        2.76938   0.00006  -0.00010   0.00023   0.00014   2.76951
   R39        2.76552  -0.00003  -0.00011   0.00000  -0.00009   2.76542
   R40        2.08081   0.00003   0.00001   0.00013   0.00014   2.08095
   R41        2.08407   0.00000   0.00001  -0.00001   0.00000   2.08408
   R42        2.07380   0.00000   0.00003  -0.00005  -0.00002   2.07377
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08391   0.00000   0.00009  -0.00003   0.00006   2.08397
   R45        2.07667   0.00000   0.00001   0.00002   0.00002   2.07669
   R46        2.34812  -0.00001  -0.00003   0.00001  -0.00002   2.34810
   R47        2.57207   0.00001   0.00003   0.00000   0.00002   2.57209
   R48        2.09356   0.00000   0.00001  -0.00001   0.00000   2.09356
   R49        2.76619  -0.00001  -0.00001   0.00000  -0.00001   2.76618
   R50        2.76864  -0.00001   0.00002   0.00000   0.00002   2.76866
   R51        2.08445   0.00000  -0.00001  -0.00001  -0.00002   2.08443
   R52        2.08267   0.00006   0.00000   0.00020   0.00021   2.08288
   R53        2.07642   0.00000   0.00001   0.00001   0.00001   2.07643
   R54        2.08524  -0.00001   0.00000  -0.00002  -0.00003   2.08521
   R55        2.07379  -0.00001  -0.00003  -0.00001  -0.00004   2.07375
   R56        2.07733   0.00000  -0.00001   0.00001   0.00000   2.07733
   R57        2.34952  -0.00015  -0.00003  -0.00014  -0.00017   2.34935
   R58        2.57230   0.00005  -0.00002   0.00015   0.00013   2.57243
   R59        2.09442   0.00002   0.00001   0.00005   0.00005   2.09448
   R60        2.77023   0.00002   0.00007   0.00004   0.00012   2.77034
   R61        2.76554  -0.00004  -0.00010   0.00002  -0.00007   2.76546
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   A16        1.60732   0.00001   0.00091  -0.00025   0.00065   1.60797
   A17        1.80595   0.00001   0.00081  -0.00014   0.00067   1.80662
   A18        1.58048   0.00000   0.00069  -0.00008   0.00060   1.58108
   A19        1.71558   0.00001   0.00044   0.00014   0.00058   1.71616
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   A21        2.42628   0.00000   0.00092  -0.00029   0.00063   2.42691
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   A23        0.66180  -0.00001   0.00000   0.00005   0.00005   0.66185
   A24        2.45397  -0.00001  -0.00055   0.00043  -0.00012   2.45385
   A25        2.26145  -0.00001   0.00001   0.00003   0.00004   2.26149
   A26        2.32843   0.00000   0.00061  -0.00044   0.00018   2.32861
   A27        2.04906  -0.00001   0.00083  -0.00051   0.00032   2.04938
   A28        1.85367   0.00000  -0.00003   0.00013   0.00009   1.85376
   A29        1.60520   0.00000   0.00006   0.00005   0.00011   1.60531
   A30        1.34341   0.00000  -0.00002   0.00015   0.00013   1.34354
   A31        1.64813   0.00000  -0.00016   0.00034   0.00017   1.64830
   A32        1.60734  -0.00001  -0.00031   0.00048   0.00017   1.60751
   A33        1.77041   0.00000  -0.00096   0.00047  -0.00049   1.76991
   A34        2.04031   0.00000  -0.00004   0.00023   0.00019   2.04051
   A35        1.87459   0.00001   0.00047  -0.00041   0.00006   1.87465
   A36        1.93993   0.00001   0.00020  -0.00034  -0.00014   1.93979
   A37        1.58845   0.00000   0.00006  -0.00036  -0.00030   1.58815
   A38        1.60100   0.00000  -0.00020  -0.00015  -0.00035   1.60064
   A39        2.29088   0.00000  -0.00004  -0.00035  -0.00039   2.29049
   A40        2.38288   0.00000   0.00031  -0.00043  -0.00012   2.38276
   A41        0.69393   0.00001  -0.00054   0.00005  -0.00048   0.69344
   A42        0.75495   0.00000   0.00003   0.00021   0.00025   0.75519
   A43        2.72709   0.00000  -0.00043   0.00102   0.00058   2.72767
   A44        2.64938   0.00000  -0.00031   0.00020  -0.00011   2.64927
   A45        2.65035   0.00000   0.00008  -0.00083  -0.00074   2.64961
   A46        2.33660  -0.00001   0.00018  -0.00086  -0.00068   2.33592
   A47        2.23947   0.00001  -0.00030   0.00028  -0.00002   2.23946
   A48        1.99607   0.00001  -0.00032   0.00011  -0.00021   1.99586
   A49        1.10586   0.00000   0.00048   0.00055   0.00103   1.10689
   A50        1.46933   0.00000   0.00034   0.00071   0.00104   1.47038
   A51        1.58302   0.00000   0.00007   0.00091   0.00097   1.58399
   A52        1.82832   0.00001  -0.00049   0.00091   0.00041   1.82874
   A53        1.78581   0.00000   0.00048   0.00047   0.00095   1.78676
   A54        1.73203   0.00000  -0.00013  -0.00072  -0.00084   1.73118
   A55        1.66327   0.00000  -0.00009  -0.00058  -0.00067   1.66259
   A56        1.26030  -0.00001  -0.00004  -0.00060  -0.00064   1.25966
   A57        1.22213  -0.00001  -0.00002  -0.00031  -0.00033   1.22180
   A58        1.95192  -0.00001  -0.00011  -0.00049  -0.00060   1.95132
   A59        1.99887  -0.00001   0.00055  -0.00052   0.00003   1.99890
   A60        0.84842   0.00000  -0.00099   0.00009  -0.00090   0.84752
   A61        0.78984   0.00000  -0.00044   0.00033  -0.00010   0.78974
   A62        2.65199   0.00001  -0.00016   0.00131   0.00115   2.65314
   A63        2.82966   0.00000  -0.00035   0.00092   0.00057   2.83023
   A64        2.58809  -0.00001   0.00011  -0.00111  -0.00100   2.58709
   A65        2.44429   0.00001  -0.00031   0.00063   0.00032   2.44460
   A66        2.23920   0.00001  -0.00040   0.00029  -0.00011   2.23909
   A67        0.86830   0.00001   0.00041   0.00081   0.00123   0.86953
   A68        1.24611   0.00001   0.00027   0.00094   0.00121   1.24732
   A69        1.43997   0.00000  -0.00008   0.00117   0.00110   1.44106
   A70        1.71849   0.00001  -0.00049   0.00119   0.00070   1.71919
   A71        1.52268   0.00001   0.00050   0.00059   0.00108   1.52376
   A72        1.74375   0.00000  -0.00019  -0.00092  -0.00111   1.74264
   A73        1.56972   0.00000  -0.00010  -0.00077  -0.00087   1.56885
   A74        1.13913  -0.00001  -0.00008  -0.00083  -0.00090   1.13823
   A75        1.02441  -0.00001  -0.00001  -0.00053  -0.00054   1.02387
   A76        1.78091  -0.00001  -0.00006  -0.00057  -0.00062   1.78028
   A77        1.77123   0.00000   0.00066  -0.00056   0.00010   1.77133
   A78        2.06052  -0.00001  -0.00020   0.00071   0.00051   2.06103
   A79        1.99164  -0.00001   0.00051   0.00055   0.00106   1.99270
   A80        2.25211   0.00000   0.00103   0.00029   0.00132   2.25342
   A81        2.08736  -0.00001   0.00140   0.00013   0.00153   2.08888
   A82        1.59601   0.00000   0.00070   0.00056   0.00126   1.59727
   A83        1.42015   0.00001   0.00086   0.00046   0.00132   1.42147
   A84        1.19179   0.00000  -0.00045  -0.00039  -0.00084   1.19095
   A85        1.38720   0.00000  -0.00046  -0.00006  -0.00052   1.38668
   A86        1.23029   0.00000  -0.00038   0.00023  -0.00015   1.23014
   A87        1.35044   0.00000  -0.00091   0.00036  -0.00056   1.34989
   A88        1.81343   0.00000  -0.00035  -0.00010  -0.00045   1.81298
   A89        2.30439   0.00001   0.00043  -0.00038   0.00005   2.30444
   A90        2.35016   0.00001  -0.00037  -0.00047  -0.00085   2.34932
   A91        1.95379   0.00000  -0.00063  -0.00056  -0.00120   1.95259
   A92        1.87238   0.00000  -0.00104  -0.00046  -0.00150   1.87087
   A93        2.62926   0.00000  -0.00102  -0.00047  -0.00150   2.62776
   A94        2.56512   0.00000  -0.00074  -0.00050  -0.00125   2.56387
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   A96        2.04242   0.00000   0.00017   0.00070   0.00087   2.04329
   A97        2.40943   0.00001   0.00049   0.00053   0.00102   2.41045
   A98        2.33896   0.00000   0.00103   0.00025   0.00128   2.34024
   A99        1.70198   0.00001   0.00053   0.00064   0.00118   1.70316
   A100       1.59909   0.00002   0.00067   0.00047   0.00114   1.60023
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   A107       2.35634   0.00000  -0.00067  -0.00046  -0.00113   2.35521
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   A109       1.74656  -0.00001  -0.00095  -0.00045  -0.00140   1.74516
   A110       2.46485  -0.00001  -0.00112  -0.00027  -0.00139   2.46346
   A111       2.29996  -0.00001  -0.00061  -0.00030  -0.00090   2.29906
   A112       0.71527   0.00000  -0.00009   0.00006  -0.00002   0.71525
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   A117       1.43577   0.00001  -0.00009   0.00014   0.00005   1.43583
   A118       1.21207   0.00001  -0.00010   0.00014   0.00004   1.21211
   A119       0.93720   0.00000   0.00025   0.00016   0.00041   0.93762
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   A123       2.24049   0.00001   0.00047  -0.00006   0.00041   2.24090
   A124       2.18132   0.00001   0.00037  -0.00002   0.00035   2.18167
   A125       1.53834   0.00001   0.00060  -0.00009   0.00050   1.53884
   A126       1.41622   0.00001   0.00002   0.00022   0.00023   1.41646
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   A203       2.63432   0.00000  -0.00096   0.00020  -0.00076   2.63356
   A204       2.25770  -0.00001  -0.00099   0.00026  -0.00072   2.25698
   A205       2.07740  -0.00001  -0.00103   0.00033  -0.00070   2.07670
   A206       1.75664  -0.00002  -0.00100   0.00025  -0.00076   1.75589
   A207       1.93785   0.00000  -0.00080   0.00028  -0.00052   1.93732
   A208       1.65548   0.00000  -0.00060   0.00024  -0.00036   1.65512
   A209       0.83223   0.00000   0.00057   0.00002   0.00059   0.83282
   A210       2.62142  -0.00001   0.00025   0.00003   0.00028   2.62170
   A211       2.35436   0.00000  -0.00010   0.00020   0.00010   2.35446
   A212       2.30407   0.00000  -0.00056   0.00033  -0.00023   2.30384
   A213       1.99089  -0.00001  -0.00057   0.00024  -0.00033   1.99056
   A214       1.97081   0.00000   0.00011   0.00025   0.00036   1.97118
   A215       1.69678   0.00000   0.00006   0.00031   0.00037   1.69715
   A216       1.92192   0.00000  -0.00108   0.00024  -0.00084   1.92108
   A217       1.55388  -0.00001  -0.00101   0.00026  -0.00075   1.55313
   A218       1.48868   0.00000  -0.00087   0.00028  -0.00059   1.48809
   A219       1.19839  -0.00001  -0.00074   0.00016  -0.00057   1.19782
   A220       1.22823   0.00000  -0.00097   0.00033  -0.00063   1.22759
   A221       0.94794   0.00000  -0.00071   0.00027  -0.00045   0.94749
   A222       0.72837   0.00001   0.00000   0.00004   0.00004   0.72841
   A223       1.02079   0.00001  -0.00001   0.00008   0.00007   1.02085
   A224       0.69753   0.00000  -0.00013  -0.00010  -0.00023   0.69731
   A225       0.98029   0.00000  -0.00030  -0.00007  -0.00037   0.97992
   A226       0.65942   0.00001   0.00002   0.00008   0.00010   0.65953
   A227       0.66092  -0.00001  -0.00005  -0.00016  -0.00020   0.66072
   A228       0.70286   0.00000  -0.00011   0.00002  -0.00009   0.70277
   A229       0.84992   0.00000   0.00026  -0.00018   0.00008   0.85000
   A230       0.75780   0.00000  -0.00003   0.00001  -0.00002   0.75778
   A231       0.78218   0.00000   0.00051  -0.00029   0.00022   0.78241
   A232       1.59846  -0.00001  -0.00183  -0.00003  -0.00186   1.59660
   A233       1.85405  -0.00003   0.00022  -0.00040  -0.00017   1.85388
   A234       2.19073  -0.00001   0.00003   0.00004   0.00008   2.19080
   A235       2.12917   0.00001  -0.00003   0.00008   0.00005   2.12922
   A236       1.96290   0.00000  -0.00002  -0.00011  -0.00013   1.96277
   A237       2.12251  -0.00002  -0.00006  -0.00021  -0.00027   2.12224
   A238       2.12622   0.00001   0.00026   0.00011   0.00037   2.12659
   A239       2.03315   0.00001  -0.00024   0.00006  -0.00018   2.03297
   A240       1.83761  -0.00003  -0.00119  -0.00010  -0.00129   1.83632
   A241       2.53534   0.00003   0.00129  -0.00001   0.00128   2.53663
   A242       1.91349   0.00000   0.00009  -0.00015  -0.00006   1.91343
   A243       1.91848  -0.00003  -0.00022  -0.00013  -0.00035   1.91814
   A244       1.91691   0.00000   0.00011  -0.00012   0.00000   1.91691
   A245       1.90969  -0.00002   0.00014  -0.00010   0.00005   1.90973
   A246       1.90816   0.00000  -0.00003   0.00011   0.00007   1.90824
   A247       1.89697   0.00005  -0.00010   0.00039   0.00029   1.89726
   A248       1.30843  -0.00001   0.00271   0.00094   0.00365   1.31209
   A249       1.90691  -0.00002   0.00029   0.00006   0.00034   1.90725
   A250       1.90934  -0.00001  -0.00006  -0.00004  -0.00012   1.90922
   A251       1.92673   0.00001  -0.00019  -0.00004  -0.00022   1.92651
   A252       1.90996   0.00001   0.00009   0.00002   0.00012   1.91009
   A253       1.89680   0.00000  -0.00028  -0.00010  -0.00038   1.89643
   A254       1.91397   0.00001   0.00015   0.00010   0.00026   1.91423
   A255       1.72644  -0.00003   0.00013  -0.00036  -0.00024   1.72621
   A256       1.76488  -0.00003  -0.00020  -0.00044  -0.00064   1.76424
   A257       2.19058  -0.00001  -0.00012  -0.00010  -0.00022   2.19036
   A258       2.12984   0.00002   0.00014   0.00016   0.00030   2.13014
   A259       1.96255  -0.00002  -0.00002  -0.00006  -0.00008   1.96247
   A260       2.12312   0.00000   0.00006  -0.00002   0.00004   2.12316
   A261       2.12275   0.00003   0.00003   0.00018   0.00021   2.12296
   A262       2.03691  -0.00004  -0.00009  -0.00018  -0.00028   2.03663
   A263       1.34440   0.00000   0.00008   0.00044   0.00052   1.34491
   A264       1.90043  -0.00002  -0.00006  -0.00003  -0.00010   1.90033
   A265       1.93115   0.00000   0.00006  -0.00006   0.00001   1.93115
   A266       1.90875   0.00000   0.00006  -0.00005   0.00001   1.90876
   A267       1.89705   0.00000  -0.00003  -0.00007  -0.00010   1.89695
   A268       1.91420   0.00001   0.00001   0.00009   0.00010   1.91430
   A269       1.91215   0.00000  -0.00004   0.00012   0.00008   1.91223
   A270       2.68231  -0.00003  -0.00097  -0.00048  -0.00145   2.68086
   A271       1.68093   0.00003   0.00086   0.00051   0.00138   1.68230
   A272       1.92637   0.00000   0.00003  -0.00030  -0.00026   1.92611
   A273       1.91260  -0.00001   0.00013  -0.00010   0.00003   1.91263
   A274       1.91408  -0.00001   0.00003   0.00019   0.00022   1.91430
   A275       1.89377  -0.00002  -0.00023  -0.00001  -0.00023   1.89354
   A276       1.91062   0.00000   0.00003   0.00000   0.00002   1.91064
   A277       1.90616   0.00004   0.00001   0.00021   0.00022   1.90638
   A278       1.81837   0.00001  -0.00028  -0.00046  -0.00074   1.81763
   A279       1.74530  -0.00003   0.00114  -0.00039   0.00075   1.74606
   A280       2.18944   0.00000   0.00005   0.00023   0.00028   2.18973
   A281       2.13055   0.00001  -0.00009  -0.00010  -0.00019   2.13036
   A282       1.96311  -0.00001   0.00004  -0.00013  -0.00009   1.96301
   A283       2.12424  -0.00002  -0.00023  -0.00010  -0.00033   2.12391
   A284       2.11449   0.00001  -0.00010   0.00014   0.00004   2.11453
   A285       2.04186   0.00001   0.00030   0.00003   0.00033   2.04219
   A286       2.71739   0.00001  -0.00171  -0.00027  -0.00199   2.71540
   A287       1.63995   0.00000   0.00170   0.00026   0.00196   1.64191
   A288       1.92651   0.00000   0.00014   0.00005   0.00020   1.92671
   A289       1.91453   0.00001   0.00022   0.00008   0.00029   1.91482
   A290       1.91165   0.00001  -0.00011   0.00001  -0.00010   1.91154
   A291       1.89091   0.00000  -0.00006  -0.00016  -0.00022   1.89070
   A292       1.91316  -0.00001  -0.00003  -0.00004  -0.00008   1.91308
   A293       1.90688   0.00000  -0.00015   0.00006  -0.00009   1.90679
   A294       1.35117  -0.00001  -0.00169  -0.00024  -0.00194   1.34923
   A295       1.15514  -0.00001   0.00099  -0.00003   0.00096   1.15610
   A296       1.93388   0.00001   0.00001   0.00007   0.00008   1.93395
   A297       1.90779  -0.00001  -0.00006  -0.00004  -0.00010   1.90769
   A298       1.90151  -0.00001  -0.00003  -0.00003  -0.00006   1.90144
   A299       1.90872   0.00000  -0.00004   0.00001  -0.00003   1.90869
   A300       1.89863   0.00001   0.00006   0.00001   0.00007   1.89870
   A301       1.91322   0.00000   0.00006  -0.00001   0.00004   1.91326
   A302       1.61871   0.00000  -0.00042  -0.00043  -0.00084   1.61787
   A303       1.82387   0.00004   0.00055   0.00113   0.00168   1.82554
   A304       2.18854  -0.00001   0.00019  -0.00015   0.00004   2.18858
   A305       2.13016  -0.00001   0.00001   0.00010   0.00010   2.13027
   A306       1.96411   0.00002  -0.00019   0.00006  -0.00013   1.96398
   A307       2.12547   0.00000   0.00011  -0.00009   0.00001   2.12549
   A308       2.12357  -0.00001  -0.00003  -0.00004  -0.00006   2.12351
   A309       2.02945   0.00001  -0.00011   0.00020   0.00010   2.02955
   A310       1.30638  -0.00001   0.00047  -0.00055  -0.00007   1.30631
   A311       3.04042   0.00000  -0.00078   0.00056  -0.00021   3.04021
   A312       1.91223   0.00000  -0.00001   0.00003   0.00002   1.91225
   A313       1.92725   0.00000  -0.00041   0.00003  -0.00040   1.92685
   A314       1.90265  -0.00001  -0.00003   0.00011   0.00008   1.90273
   A315       1.91265   0.00001   0.00030  -0.00017   0.00013   1.91278
   A316       1.91216   0.00000   0.00006   0.00001   0.00008   1.91224
   A317       1.89676   0.00000   0.00010  -0.00001   0.00009   1.89685
   A318       1.79389   0.00001   0.00212  -0.00086   0.00125   1.79514
   A319       1.91597   0.00001   0.00011   0.00000   0.00012   1.91608
   A320       1.91408  -0.00001  -0.00006  -0.00019  -0.00025   1.91383
   A321       1.91980   0.00000  -0.00007   0.00011   0.00004   1.91984
   A322       1.90763   0.00001   0.00015  -0.00007   0.00008   1.90772
   A323       1.91013  -0.00001  -0.00015   0.00007  -0.00007   1.91005
   A324       1.89606   0.00000   0.00000   0.00007   0.00008   1.89614
   A325       2.93618  -0.00001   0.00006  -0.00070  -0.00065   2.93554
   A326       3.39795   0.00000  -0.00005  -0.00015  -0.00021   3.39774
   A327       3.11232   0.00000   0.00002  -0.00013  -0.00011   3.11221
   A328       3.22241   0.00000   0.00286   0.00104   0.00391   3.22631
   A329       3.25655   0.00000   0.00004   0.00056   0.00060   3.25715
   A330       3.25989   0.00000  -0.00173  -0.00023  -0.00197   3.25792
   A331       3.70401   0.00000   0.00197  -0.00079   0.00118   3.70519
   A332       3.28124   0.00001  -0.00007   0.00131   0.00124   3.28248
   A333       2.93763   0.00000   0.00045  -0.00033   0.00012   2.93775
   A334       2.88145  -0.00001   0.00031  -0.00012   0.00019   2.88164
   A335       3.23179   0.00001   0.00151   0.00035   0.00186   3.23365
   A336       3.08091  -0.00001   0.00012  -0.00036  -0.00024   3.08067
   A337       3.10547  -0.00001   0.00028  -0.00015   0.00013   3.10560
   A338       3.05170   0.00001  -0.00042   0.00067   0.00025   3.05195
    D1        2.75999   0.00001   0.00021   0.00010   0.00032   2.76031
    D2       -1.35794   0.00001  -0.00044   0.00009  -0.00035  -1.35830
    D3        2.78525   0.00001  -0.00022   0.00022   0.00000   2.78525
    D4       -1.33268   0.00001  -0.00088   0.00020  -0.00067  -1.33336
    D5        1.65874   0.00000   0.00093   0.00010   0.00103   1.65977
    D6       -2.45920   0.00001   0.00027   0.00008   0.00035  -2.45884
    D7        1.83238   0.00001   0.00023  -0.00016   0.00007   1.83244
    D8       -2.28556   0.00001  -0.00043  -0.00018  -0.00061  -2.28616
    D9        0.23903  -0.00001   0.00053  -0.00165  -0.00112   0.23791
   D10        2.40429   0.00000  -0.00012  -0.00167  -0.00179   2.40249
   D11       -0.02703   0.00001  -0.00010  -0.00127  -0.00136  -0.02840
   D12        2.13822   0.00001  -0.00075  -0.00128  -0.00204   2.13618
   D13       -0.49599   0.00000  -0.00015  -0.00109  -0.00124  -0.49723
   D14        1.66926   0.00000  -0.00081  -0.00111  -0.00191   1.66735
   D15       -0.59725   0.00000  -0.00058  -0.00103  -0.00161  -0.59885
   D16        1.56800   0.00000  -0.00123  -0.00105  -0.00228   1.56572
   D17        0.17578  -0.00001  -0.00070  -0.00110  -0.00180   0.17398
   D18        2.34103  -0.00001  -0.00136  -0.00111  -0.00247   2.33855
   D19        0.11959  -0.00002  -0.00084  -0.00088  -0.00173   0.11787
   D20        2.28484  -0.00002  -0.00150  -0.00090  -0.00240   2.28244
   D21        2.37359   0.00000  -0.00021  -0.00115  -0.00136   2.37223
   D22       -1.74434   0.00000  -0.00087  -0.00116  -0.00203  -1.74638
   D23        2.13537   0.00000  -0.00032  -0.00116  -0.00148   2.13389
   D24       -1.98256   0.00000  -0.00098  -0.00117  -0.00215  -1.98472
   D25        1.68653   0.00000  -0.00015  -0.00119  -0.00133   1.68520
   D26       -2.43140   0.00001  -0.00081  -0.00121  -0.00201  -2.43341
   D27        1.37777  -0.00001  -0.00018  -0.00127  -0.00145   1.37633
   D28       -2.74016  -0.00001  -0.00084  -0.00128  -0.00212  -2.74228
   D29        2.35817   0.00000  -0.00051  -0.00108  -0.00158   2.35659
   D30       -1.75976   0.00000  -0.00116  -0.00109  -0.00226  -1.76202
   D31       -1.74171   0.00000  -0.00105  -0.00073  -0.00178  -1.74349
   D32        0.42354   0.00001  -0.00170  -0.00075  -0.00245   0.42108
   D33       -2.09597   0.00000  -0.00109  -0.00065  -0.00174  -2.09771
   D34        0.06928   0.00000  -0.00175  -0.00066  -0.00241   0.06686
   D35       -2.46982  -0.00001  -0.00105  -0.00078  -0.00183  -2.47165
   D36       -0.30457   0.00000  -0.00171  -0.00080  -0.00250  -0.30707
   D37       -2.76186  -0.00001  -0.00115  -0.00077  -0.00192  -2.76377
   D38       -0.59660  -0.00001  -0.00181  -0.00078  -0.00259  -0.59920
   D39       -2.12682   0.00000  -0.00126  -0.00043  -0.00170  -2.12852
   D40        0.03843   0.00000  -0.00192  -0.00045  -0.00238   0.03605
   D41       -2.37269   0.00000  -0.00073  -0.00053  -0.00127  -2.37396
   D42       -0.20744   0.00000  -0.00139  -0.00054  -0.00194  -0.20938
   D43        1.26301   0.00001   0.00022  -0.00024  -0.00002   1.26299
   D44       -1.96290   0.00001   0.00157  -0.00027   0.00130  -1.96160
   D45        2.44944   0.00001   0.00091  -0.00021   0.00071   2.45015
   D46       -0.77646   0.00001   0.00226  -0.00024   0.00203  -0.77443
   D47        2.92885   0.00000   0.00058  -0.00043   0.00014   2.92900
   D48       -0.29705   0.00001   0.00193  -0.00046   0.00146  -0.29558
   D49        2.88745  -0.00002  -0.00167  -0.00187  -0.00354   2.88391
   D50       -0.33845  -0.00002  -0.00032  -0.00190  -0.00223  -0.34068
   D51        1.97562   0.00001  -0.00092  -0.00291  -0.00382   1.97180
   D52       -1.25028   0.00001   0.00043  -0.00294  -0.00250  -1.25278
   D53        1.03850  -0.00001  -0.00050  -0.00234  -0.00283   1.03567
   D54       -2.18740  -0.00001   0.00085  -0.00237  -0.00151  -2.18892
   D55        0.96320   0.00000  -0.00093  -0.00161  -0.00254   0.96066
   D56       -2.26271   0.00000   0.00042  -0.00164  -0.00122  -2.26393
   D57        1.99715  -0.00001  -0.00127  -0.00175  -0.00302   1.99413
   D58       -1.22875  -0.00001   0.00008  -0.00178  -0.00170  -1.23045
   D59        1.80925  -0.00002  -0.00109  -0.00134  -0.00242   1.80683
   D60       -1.41665  -0.00002   0.00026  -0.00137  -0.00110  -1.41775
   D61       -2.30726   0.00000  -0.00015  -0.00150  -0.00165  -2.30890
   D62        0.75003   0.00000   0.00120  -0.00153  -0.00033   0.74970
   D63       -2.42825   0.00000  -0.00026  -0.00115  -0.00141  -2.42966
   D64        0.62903   0.00001   0.00109  -0.00118  -0.00009   0.62894
   D65       -2.82972   0.00001  -0.00027  -0.00106  -0.00132  -2.83105
   D66        0.22756   0.00001   0.00108  -0.00109   0.00000   0.22756
   D67       -2.99714   0.00000  -0.00088  -0.00106  -0.00194  -2.99907
   D68        0.06015   0.00000   0.00046  -0.00109  -0.00062   0.05953
   D69       -2.14062   0.00000  -0.00024  -0.00091  -0.00115  -2.14178
   D70        0.91666   0.00001   0.00110  -0.00094   0.00016   0.91682
   D71       -0.16680   0.00000  -0.00130  -0.00075  -0.00205  -0.16885
   D72        2.89048   0.00000   0.00005  -0.00078  -0.00073   2.88975
   D73       -0.56697   0.00000  -0.00126  -0.00073  -0.00198  -0.56895
   D74        2.49032   0.00000   0.00009  -0.00076  -0.00067   2.48965
   D75       -0.72874   0.00000  -0.00137  -0.00093  -0.00231  -0.73105
   D76        2.32854   0.00000  -0.00003  -0.00096  -0.00099   2.32755
   D77       -1.06555  -0.00001  -0.00136  -0.00111  -0.00247  -1.06801
   D78        1.99174  -0.00001  -0.00001  -0.00114  -0.00115   1.99059
   D79       -0.85663   0.00000  -0.00113  -0.00044  -0.00157  -0.85821
   D80        2.20065   0.00000   0.00022  -0.00047  -0.00025   2.20039
   D81       -1.16021   0.00000  -0.00086  -0.00041  -0.00127  -1.16148
   D82        1.89707   0.00000   0.00049  -0.00044   0.00005   1.89713
   D83       -1.52302   0.00001   0.00143   0.00043   0.00186  -1.52116
   D84       -2.60405   0.00000   0.00162   0.00043   0.00205  -2.60200
   D85       -2.93838   0.00001   0.00109   0.00055   0.00165  -2.93674
   D86        0.73234  -0.00001   0.00071  -0.00065   0.00005   0.73239
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   D89       -0.43448   0.00000   0.00048  -0.00106  -0.00059  -0.43507
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   D91       -0.04526  -0.00001  -0.00016  -0.00049  -0.00065  -0.04592
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   D98       -2.42837  -0.00001  -0.00151  -0.00038  -0.00189  -2.43026
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   D303       0.25227   0.00000   0.00203  -0.00009   0.00194   0.25420
   D304      -2.60311   0.00001   0.00108  -0.00017   0.00091  -2.60220
   D305      -0.53783   0.00001   0.00172  -0.00003   0.00169  -0.53613
   D306      -2.73231   0.00002   0.00123  -0.00029   0.00095  -2.73137
   D307      -0.66702   0.00002   0.00187  -0.00014   0.00173  -0.66530
   D308       1.52833   0.00000   0.00074   0.00000   0.00075   1.52907
   D309      -2.68957   0.00000   0.00138   0.00015   0.00153  -2.68805
   D310       2.63087  -0.00001   0.00039  -0.00001   0.00037   2.63124
   D311      -1.58703  -0.00001   0.00102   0.00013   0.00115  -1.58587
   D312       3.02095   0.00000  -0.00023  -0.00005  -0.00029   3.02066
   D313      -1.19695   0.00001   0.00040   0.00009   0.00049  -1.19646
   D314      -0.53282  -0.00001   0.00110  -0.00036   0.00074  -0.53208
   D315       1.53247  -0.00001   0.00174  -0.00022   0.00152   1.53399
   D316      -0.36593   0.00000   0.00113  -0.00034   0.00079  -0.36514
   D317       1.69935   0.00000   0.00176  -0.00019   0.00157   1.70092
   D318       0.06319   0.00000   0.00117  -0.00026   0.00091   0.06411
   D319       2.12848   0.00001   0.00180  -0.00011   0.00170   2.13018
   D320       0.20385   0.00000   0.00144  -0.00033   0.00111   0.20496
   D321       2.26914   0.00001   0.00207  -0.00018   0.00189   2.27103
   D322      -0.60740   0.00000   0.00119  -0.00025   0.00093  -0.60646
   D323       1.45789   0.00000   0.00182  -0.00011   0.00172   1.45961
   D324      -0.64999   0.00000   0.00043   0.00010   0.00053  -0.64946
   D325       1.41529   0.00001   0.00107   0.00024   0.00131   1.41661
   D326       0.10362   0.00000   0.00039  -0.00020   0.00019   0.10380
   D327       2.27017  -0.00001   0.00038   0.00001   0.00040   2.27057
   D328       0.40682   0.00000   0.00091   0.00000   0.00091   0.40773
   D329       2.57338   0.00000   0.00090   0.00021   0.00112   2.57450
   D330       0.78132   0.00000   0.00028  -0.00011   0.00017   0.78150
   D331       2.94788   0.00000   0.00027   0.00011   0.00038   2.94826
   D332       1.06334   0.00000   0.00017  -0.00017   0.00000   1.06334
   D333      -3.05329   0.00000   0.00017   0.00005   0.00021  -3.05308
   D334       0.33480   0.00000   0.00223   0.00047   0.00271   0.33751
   D335       2.50135   0.00000   0.00222   0.00069   0.00292   2.50428
   D336       0.72969   0.00001   0.00239   0.00027   0.00266   0.73235
   D337       2.89625   0.00000   0.00239   0.00048   0.00287   2.89912
   D338      -2.32399   0.00001   0.00048   0.00027   0.00075  -2.32324
   D339      -0.15743   0.00001   0.00047   0.00049   0.00096  -0.15647
   D340      -1.94885   0.00000   0.00045   0.00032   0.00077  -1.94808
   D341       0.21771   0.00000   0.00044   0.00054   0.00098   0.21869
   D342      -1.87882   0.00000   0.00028   0.00043   0.00070  -1.87811
   D343       0.28774   0.00000   0.00027   0.00065   0.00091   0.28866
   D344      -1.56153   0.00001   0.00011   0.00046   0.00056  -1.56097
   D345       0.60503   0.00001   0.00010   0.00067   0.00077   0.60580
   D346      -1.59866   0.00000   0.00058   0.00022   0.00080  -1.59786
   D347       0.56790   0.00000   0.00057   0.00044   0.00100   0.56891
   D348      -1.29638   0.00000   0.00057   0.00015   0.00072  -1.29566
   D349       0.87018  -0.00001   0.00056   0.00037   0.00093   0.87110
   D350       1.90043   0.00001   0.00093   0.00003   0.00095   1.90138
   D351      -2.21620   0.00000   0.00092   0.00025   0.00116  -2.21504
   D352       2.35442   0.00001   0.00043   0.00028   0.00071   2.35513
   D353      -1.76221   0.00001   0.00043   0.00050   0.00092  -1.76128
   D354       2.67586   0.00000  -0.00058   0.00065   0.00008   2.67595
   D355      -1.44076   0.00000  -0.00058   0.00086   0.00029  -1.44047
   D356      -2.99859   0.00002  -0.00112   0.00075  -0.00037  -2.99896
   D357      -0.83203   0.00002  -0.00113   0.00097  -0.00016  -0.83219
   D358       2.64612   0.00000   0.00045   0.00017   0.00062   2.64674
   D359      -1.47050   0.00000   0.00044   0.00038   0.00082  -1.46968
   D360       1.64801   0.00000   0.00040  -0.00004   0.00036   1.64837
   D361      -2.46862  -0.00001   0.00039   0.00018   0.00057  -2.46805
   D362       1.82189   0.00000   0.00035   0.00011   0.00046   1.82235
   D363      -2.29474   0.00000   0.00034   0.00033   0.00067  -2.29406
   D364       2.75560  -0.00001   0.00030   0.00003   0.00033   2.75594
   D365      -1.36102  -0.00001   0.00030   0.00025   0.00054  -1.36048
   D366       2.76069  -0.00001   0.00107  -0.00025   0.00081   2.76150
   D367      -1.35594  -0.00001   0.00106  -0.00004   0.00102  -1.35492
   D368       0.08227   0.00000   0.00090  -0.00048   0.00042   0.08270
   D369      -2.36987   0.00000  -0.00210   0.00402   0.00194  -2.36793
   D370       0.48239   0.00000   0.00097  -0.00042   0.00056   0.48295
   D371      -1.96974   0.00000  -0.00202   0.00409   0.00207  -1.96767
   D372       0.69811   0.00000   0.00012  -0.00066  -0.00053   0.69758
   D373      -1.75402   0.00000  -0.00287   0.00385   0.00098  -1.75304
   D374       0.96731  -0.00001   0.00000  -0.00074  -0.00074   0.96656
   D375      -1.48483  -0.00001  -0.00300   0.00376   0.00077  -1.48406
   D376       0.72334   0.00001   0.00168  -0.00016   0.00152   0.72486
   D377      -1.72880   0.00000  -0.00131   0.00434   0.00303  -1.72576
   D378       1.06663   0.00000   0.00138  -0.00031   0.00107   1.06769
   D379      -1.38551   0.00000  -0.00162   0.00420   0.00258  -1.38293
   D380      -2.68044   0.00001  -0.00006   0.00035   0.00029  -2.68014
   D381       1.15061   0.00001  -0.00305   0.00485   0.00180   1.15242
   D382      -2.16816   0.00000   0.00012   0.00041   0.00053  -2.16763
   D383       1.66289   0.00000  -0.00287   0.00491   0.00204   1.66493
   D384      -1.92530   0.00000   0.00004   0.00036   0.00039  -1.92491
   D385       1.90575   0.00000  -0.00296   0.00486   0.00190   1.90765
   D386      -1.59723   0.00001   0.00001   0.00030   0.00030  -1.59693
   D387       2.23382   0.00001  -0.00299   0.00480   0.00181   2.23563
   D388      -1.73662   0.00001   0.00058   0.00039   0.00095  -1.73567
   D389       2.09443   0.00001  -0.00241   0.00489   0.00246   2.09689
   D390      -1.17931  -0.00001   0.00075   0.00007   0.00082  -1.17849
   D391       2.65174  -0.00001  -0.00225   0.00458   0.00233   2.65407
   D392       1.82139   0.00000   0.00091  -0.00020   0.00071   1.82210
   D393      -0.63075   0.00000  -0.00208   0.00430   0.00222  -0.62853
   D394       2.13247   0.00000   0.00079  -0.00010   0.00069   2.13316
   D395      -0.31967   0.00000  -0.00220   0.00440   0.00220  -0.31747
   D396       2.10480   0.00000   0.00061  -0.00006   0.00055   2.10535
   D397      -0.34734   0.00000  -0.00238   0.00445   0.00206  -0.34527
   D398       2.33993   0.00000  -0.00045  -0.00002  -0.00047   2.33946
   D399      -0.11221   0.00000  -0.00344   0.00449   0.00104  -0.11117
   D400       2.52287   0.00000   0.00095  -0.00016   0.00079   2.52367
   D401       0.07074   0.00000  -0.00204   0.00434   0.00230   0.07304
   D402      -1.53254  -0.00001   0.00030  -0.00019   0.00012  -1.53242
   D403       2.29851  -0.00001  -0.00269   0.00432   0.00163   2.30014
   D404      -2.62767   0.00001   0.00044   0.00003   0.00047  -2.62720
   D405       1.20338   0.00001  -0.00255   0.00453   0.00198   1.20536
   D406      -2.97455   0.00000   0.00106  -0.00022   0.00085  -2.97371
   D407       0.85649   0.00000  -0.00193   0.00429   0.00236   0.85885
   D408       1.92298  -0.00001  -0.00050  -0.00013  -0.00061   1.92237
   D409       2.42820   0.00000  -0.00007  -0.00014  -0.00021   2.42800
   D410       2.65914   0.00000  -0.00112  -0.00033  -0.00145   2.65769
   D411       2.88907  -0.00001  -0.00121  -0.00048  -0.00169   2.88737
   D412       2.87442   0.00000   0.00105  -0.00020   0.00084   2.87526
   D413      -2.90739  -0.00001  -0.00030  -0.00043  -0.00073  -2.90813
   D414      -0.71283   0.00001  -0.00116   0.00069  -0.00047  -0.71330
   D415      -0.33749   0.00000  -0.00113   0.00074  -0.00039  -0.33788
   D416      -0.00976   0.00000  -0.00134   0.00078  -0.00056  -0.01032
   D417       0.29522   0.00000  -0.00135   0.00078  -0.00057   0.29465
   D418      -0.22772   0.00001  -0.00088   0.00074  -0.00014  -0.22786
   D419       0.06510   0.00001  -0.00090   0.00064  -0.00026   0.06484
   D420      -2.52797   0.00000  -0.00102   0.00051  -0.00051  -2.52848
   D421      -2.14717   0.00000  -0.00114   0.00057  -0.00056  -2.14774
   D422      -1.88428  -0.00001  -0.00147   0.00064  -0.00083  -1.88511
   D423      -1.56699   0.00000  -0.00176   0.00067  -0.00109  -1.56808
   D424      -1.95195   0.00000  -0.00090   0.00047  -0.00043  -1.95238
   D425       1.29879  -0.00001  -0.00096   0.00031  -0.00065   1.29813
   D426       2.47014   0.00000  -0.00078   0.00044  -0.00034   2.46980
   D427       2.94667   0.00001  -0.00080   0.00057  -0.00024   2.94644
   D428      -3.05622   0.00002   0.00087   0.00034   0.00122  -3.05501
   D429       0.02852   0.00000   0.00006  -0.00050  -0.00044   0.02807
   D430       0.05551   0.00000   0.00052   0.00042   0.00095   0.05645
   D431       3.14025  -0.00003  -0.00029  -0.00042  -0.00072   3.13954
   D432      -0.11060   0.00001   0.00041  -0.00086  -0.00044  -0.11105
   D433       1.98926  -0.00004   0.00051  -0.00115  -0.00064   1.98862
   D434      -2.20760   0.00000   0.00033  -0.00083  -0.00050  -2.20810
   D435       3.08496   0.00003   0.00117  -0.00006   0.00111   3.08607
   D436      -1.09837  -0.00001   0.00127  -0.00035   0.00092  -1.09745
   D437       0.98796   0.00003   0.00108  -0.00003   0.00106   0.98902
   D438      -2.35182   0.00002   0.00513   0.00158   0.00672  -2.34511
   D439      -0.26131   0.00001   0.00538   0.00162   0.00700  -0.25430
   D440       1.84639   0.00002   0.00541   0.00170   0.00710   1.85350
   D441       0.73568  -0.00001   0.00436   0.00077   0.00513   0.74081
   D442       2.82620  -0.00001   0.00461   0.00081   0.00542   2.83161
   D443      -1.34929   0.00000   0.00464   0.00088   0.00552  -1.34377
   D444       0.00315  -0.00001  -0.00010   0.00083   0.00073   0.00388
   D445       3.11291  -0.00002   0.00009  -0.00024  -0.00015   3.11275
   D446      -3.11617   0.00003  -0.00012   0.00084   0.00072  -3.11545
   D447      -0.00642   0.00002   0.00007  -0.00023  -0.00016  -0.00658
   D448       2.43546  -0.00001   0.00024  -0.00164  -0.00140   2.43405
   D449      -1.76381  -0.00001   0.00020  -0.00178  -0.00158  -1.76540
   D450       0.34404  -0.00001   0.00022  -0.00170  -0.00147   0.34257
   D451      -0.67579   0.00000   0.00006  -0.00063  -0.00057  -0.67636
   D452       1.40813  -0.00001   0.00001  -0.00076  -0.00075   1.40738
   D453      -2.76720   0.00000   0.00004  -0.00068  -0.00064  -2.76784
   D454       2.04214   0.00003   0.00120   0.00136   0.00255   2.04469
   D455      -2.15646   0.00001   0.00101   0.00111   0.00212  -2.15434
   D456      -0.06423   0.00004   0.00112   0.00142   0.00255  -0.06168
   D457      -1.12979   0.00003   0.00138   0.00034   0.00171  -1.12808
   D458       0.95479   0.00000   0.00119   0.00009   0.00128   0.95607
   D459       3.04703   0.00003   0.00131   0.00040   0.00171   3.04874
   D460      -3.08484   0.00001  -0.00001  -0.00083  -0.00085  -3.08568
   D461      -0.02284   0.00001  -0.00044   0.00023  -0.00021  -0.02305
   D462       0.07003   0.00003  -0.00030  -0.00035  -0.00066   0.06937
   D463       3.13203   0.00003  -0.00073   0.00071  -0.00002   3.13201
   D464       1.91607   0.00000   0.00092   0.00115   0.00206   1.91813
   D465      -2.28477   0.00000   0.00107   0.00103   0.00210  -2.28267
   D466      -0.19197   0.00000   0.00094   0.00116   0.00210  -0.18987
   D467      -1.14909  -0.00001   0.00135   0.00012   0.00147  -1.14762
   D468       0.93326  -0.00001   0.00150   0.00000   0.00150   0.93476
   D469       3.02606   0.00000   0.00137   0.00013   0.00150   3.02756
   D470      -1.62944  -0.00001   0.00219  -0.00068   0.00151  -1.62792
   D471       0.47526   0.00000   0.00211  -0.00065   0.00146   0.47672
   D472       2.56556  -0.00001   0.00213  -0.00071   0.00142   2.56698
   D473       1.43618   0.00000   0.00176   0.00033   0.00209   1.43826
   D474      -2.74231   0.00000   0.00168   0.00036   0.00204  -2.74027
   D475      -0.65201  -0.00001   0.00169   0.00030   0.00200  -0.65002
   D476       0.01280   0.00000   0.00009   0.00065   0.00075   0.01355
   D477      -3.02099  -0.00001   0.00036  -0.00022   0.00014  -3.02085
   D478       3.12545   0.00003   0.00027   0.00091   0.00118   3.12664
   D479       0.09166   0.00002   0.00054   0.00004   0.00058   0.09224
   D480      -0.27694  -0.00001   0.00107  -0.00079   0.00028  -0.27666
   D481       1.83130   0.00001   0.00116  -0.00096   0.00020   1.83151
   D482      -2.36930  -0.00001   0.00101  -0.00089   0.00012  -2.36918
   D483       2.76235   0.00000   0.00081   0.00003   0.00084   2.76319
   D484      -1.41259   0.00001   0.00091  -0.00015   0.00076  -1.41182
   D485       0.66999   0.00000   0.00076  -0.00008   0.00068   0.67068
   D486      -0.11306   0.00000  -0.00239   0.00211  -0.00028  -0.11334
   D487       1.98307   0.00002  -0.00217   0.00191  -0.00026   1.98281
   D488      -2.21586   0.00001  -0.00224   0.00195  -0.00029  -2.21614
   D489       3.13071  -0.00001  -0.00215   0.00130  -0.00084   3.12987
   D490      -1.05635   0.00001  -0.00193   0.00110  -0.00082  -1.05717
   D491       1.02791   0.00000  -0.00200   0.00115  -0.00085   1.02706
         Item               Value     Threshold  Converged?
 Maximum Force            0.000148     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.011975     0.001800     NO 
 RMS     Displacement     0.001429     0.001200     NO 
 Predicted change in Energy=-1.629007D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:36:10 2016, MaxMem=  2952790016 cpu:         8.0
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.786979   -0.579366    1.631432
      2          6           0       -2.045915    1.125084   -1.395405
      3          8           0       -2.573634    0.140675   -1.941503
      4          7           0       -0.756783    1.193607   -0.964202
      5          1           0       -2.614020    2.052419   -1.180921
      6          6           0       -0.253034    2.358190   -0.235607
      7          1           0       -1.021368    3.143685   -0.218482
      8          1           0        0.002137    2.072618    0.797799
      9          1           0        0.653197    2.744908   -0.729444
     10          6           0        0.177424    0.079241   -1.140570
     11          1           0        0.726263   -0.087358   -0.200441
     12          1           0       -0.382625   -0.827904   -1.402358
     13          1           0        0.904039    0.309750   -1.937065
     14          6           0       -2.081955   -3.940077    2.704959
     15          8           0       -2.234815   -3.740533    3.921996
     16          7           0       -2.987070   -3.637553    1.734748
     17          1           0       -1.150763   -4.377777    2.293187
     18          6           0       -4.276849   -3.018340    2.052432
     19          1           0       -4.501620   -2.253405    1.292840
     20          1           0       -5.082322   -3.771611    2.044477
     21          1           0       -4.221419   -2.550095    3.043365
     22          6           0       -2.703987   -3.877396    0.319166
     23          1           0       -3.412954   -4.613370   -0.094379
     24          1           0       -2.809921   -2.935083   -0.243837
     25          1           0       -1.677678   -4.253466    0.205509
     26          6           0        1.608393    0.358254    2.572623
     27          8           0        1.461258    1.385267    3.256401
     28          7           0        1.204956   -0.891971    2.928645
     29          1           0        2.086637    0.380447    1.573548
     30          6           0        1.482039   -2.057926    2.088121
     31          1           0        2.231720   -2.708796    2.568780
     32          1           0        0.557716   -2.640991    1.944814
     33          1           0        1.855670   -1.724965    1.109906
     34          6           0        0.559019   -1.140997    4.219888
     35          1           0        1.302152   -1.440362    4.978657
     36          1           0        0.047683   -0.228472    4.551677
     37          1           0       -0.173212   -1.952389    4.102048
     38          6           0       -4.604920    0.982409    2.900057
     39          8           0       -4.855347    1.539743    1.817344
     40          7           0       -3.549464    1.270996    3.709863
     41          1           0       -5.228934    0.155554    3.294209
     42          6           0       -2.581562    2.319171    3.372732
     43          1           0       -2.681828    2.584802    2.312439
     44          1           0       -2.750657    3.212994    3.995352
     45          1           0       -1.564593    1.943389    3.564049
     46          6           0       -3.246375    0.465413    4.893404
     47          1           0       -4.042395   -0.274689    5.053276
     48          1           0       -2.285071   -0.057808    4.750153
     49          1           0       -3.165461    1.114218    5.780216
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.483380   0.000000
     3  O    3.728693   1.243291   0.000000
     4  N    3.307877   1.361062   2.316188   0.000000
     5  H    3.939494   1.108466   2.057883   2.057633   0.000000
     6  C    3.803689   2.465786   3.634919   1.463171   2.561517
     7  H    4.227227   2.551391   3.794259   2.104498   2.157242
     8  H    3.305888   3.146820   4.227383   2.110277   3.280247
     9  H    4.751735   3.217535   4.320133   2.109429   3.370175
    10  C    3.460728   2.470215   2.865936   1.464807   3.418658
    11  H    3.148685   3.253140   3.737996   2.103242   4.086255
    12  H    3.352293   2.565296   2.455472   2.102019   3.650263
    13  H    4.557003   3.108117   3.481782   2.118017   3.998173
    14  C    3.540318   6.516912   6.203539   6.447754   7.161925
    15  O    3.929405   7.210039   7.039830   7.099665   7.729285
    16  N    3.286853   5.776361   5.287793   5.966458   6.404379
    17  H    3.907764   6.684945   6.354020   6.465765   7.453722
    18  C    3.510739   5.833747   5.369528   6.263500   6.239564
    19  H    3.207230   4.967025   4.462032   5.567758   5.312499
    20  H    4.606552   6.710453   6.122707   7.239877   7.100354
    21  H    3.435670   6.159744   5.899522   6.486879   6.450695
    22  C    3.666054   5.328941   4.612213   5.581550   6.117275
    23  H    4.679253   6.040805   5.168876   6.444596   6.800854
    24  H    3.180007   4.288912   3.521106   4.666945   5.078551
    25  H    3.942615   5.623817   4.972009   5.646846   6.524041
    26  C    3.646028   5.448599   6.157436   4.336012   5.898140
    27  O    4.129328   5.831574   6.696832   4.771785   6.061585
    28  N    3.275998   5.773567   6.249995   4.832424   6.335814
    29  H    3.991177   5.142680   5.842191   3.896979   5.699015
    30  C    3.616793   5.891771   6.125373   4.990137   6.660276
    31  H    4.643602   6.979366   7.180081   6.053252   7.759550
    32  H    3.137850   5.667387   5.713709   4.989431   6.469793
    33  H    3.853995   5.442584   5.693017   4.432257   6.284477
    34  C    3.538254   6.591837   7.029860   5.835795   7.030990
    35  H    4.635511   7.643280   8.087645   6.818694   8.091744
    36  H    3.466546   6.448492   7.012058   5.752773   6.719360
    37  H    3.254748   6.572659   6.831359   5.992057   7.064404
    38  C    3.462562   5.001985   5.317456   5.457587   4.665081
    39  O    3.733640   4.287961   4.614385   4.965384   3.778356
    40  N    3.293944   5.324069   5.845324   5.445360   5.040381
    41  H    3.892556   5.750138   5.870565   6.261929   5.519299
    42  C    3.473471   4.944481   5.743432   4.837945   4.561575
    43  H    3.358047   4.035253   4.907289   4.046925   3.534345
    44  H    4.571519   5.823770   6.687057   5.714074   5.306544
    45  H    3.185711   5.049503   5.880395   4.660450   4.860857
    46  C    3.723152   6.436256   6.875609   6.406239   6.309983
    47  H    4.109592   6.894257   7.159380   7.011503   6.805946
    48  H    3.201022   6.262931   6.700815   6.046119   6.303880
    49  H    4.688374   7.262440   7.805318   7.162068   7.045689
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098923   0.000000
     8  H    1.102085   1.796545   0.000000
     9  H    1.102126   1.795626   1.791180   0.000000
    10  C    2.489550   3.417333   2.785956   2.738825   0.000000
    11  H    2.634571   3.673442   2.487234   2.882171   1.101282
    12  H    3.395482   4.193218   3.660842   3.780308   1.097771
    13  H    2.903426   3.833002   3.376479   2.729700   1.102500
    14  C    7.187492   7.736346   6.643282   7.997825   6.003983
    15  O    7.642482   8.124560   6.968305   8.487488   6.785216
    16  N    6.877949   7.325591   6.513009   7.749812   5.665337
    17  H    7.250791   7.930802   6.721083   7.945011   5.780984
    18  C    7.094595   7.329786   6.767693   8.078317   6.295302
    19  H    6.453948   6.597336   6.264452   7.459551   5.766817
    20  H    8.129899   8.332686   7.846078   9.113497   7.255241
    21  H    7.112735   7.300624   6.652103   8.126071   6.615781
    22  C    6.722906   7.239879   6.553996   7.498345   5.107675
    23  H    7.655566   8.118312   7.560506   8.430963   6.000495
    24  H    5.878475   6.336481   5.836929   6.670179   4.337570
    25  H    6.777771   7.438303   6.572056   7.435344   4.901600
    26  C    3.918011   4.739677   2.944334   4.184754   3.989150
    27  O    4.009924   4.618471   2.940444   4.288187   4.763117
    28  N    4.764638   5.580990   3.843965   5.187769   4.307852
    29  H    3.557889   4.528416   2.794704   3.598500   3.332005
    30  C    5.283206   6.216448   4.573448   5.629641   4.085823
    31  H    6.301820   7.252789   5.565009   6.566042   5.074698
    32  H    5.513924   6.374624   4.882870   6.014040   4.130845
    33  H    4.788444   5.809106   4.237290   4.980855   3.337112
    34  C    5.723214   6.368301   4.727381   6.293252   5.510817
    35  H    6.635974   7.309069   5.613434   7.107746   6.404619
    36  H    5.449709   5.938748   4.403258   6.090802   5.702034
    37  H    6.115776   6.734711   5.210517   6.789026   5.633429
    38  C    5.537514   5.219027   5.180059   6.627780   6.325598
    39  O    5.105463   4.627809   4.991851   6.187294   6.017567
    40  N    5.255014   5.032905   4.662251   6.288261   6.231908
    41  H    6.486200   6.242720   6.105023   7.582480   6.992983
    42  C    4.294610   4.001356   3.656032   5.241447   5.744492
    43  H    3.527454   3.078156   3.124122   4.516755   5.135799
    44  H    4.986965   4.555398   4.370661   5.842005   6.691171
    45  H    4.040994   4.005415   3.181742   4.898480   5.351926
    46  C    6.232933   6.185078   5.468997   7.212433   6.948409
    47  H    7.018802   6.971608   6.322750   8.037810   7.503057
    48  H    5.901188   6.044323   5.038962   6.820162   6.386179
    49  H    6.798516   6.685825   5.981362   7.721203   7.755214
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795173   0.000000
    13  H    1.790297   1.798797   0.000000
    14  C    5.583089   5.426177   6.966030   0.000000
    15  O    6.253651   6.345295   7.783688   1.242725   0.000000
    16  N    5.489780   4.951636   6.648619   1.360906   2.315286
    17  H    5.305573   5.181572   6.640041   1.108267   2.057734
    18  C    6.220709   5.647881   7.337157   2.468391   2.861248
    19  H    5.852556   5.124673   6.798764   3.270126   3.776561
    20  H    7.235540   6.529413   8.267206   3.076820   3.410915
    21  H    6.408347   6.121008   7.697644   2.573689   2.477041
    22  C    5.138190   4.201400   5.969976   2.466346   3.635828
    23  H    6.134260   5.022296   6.802134   3.171935   4.275643
    24  H    4.540486   3.416744   5.214351   3.199272   4.281782
    25  H    4.827026   3.999608   5.663817   2.551255   3.792859
    26  C    2.943910   4.601260   4.564620   5.666730   5.778504
    27  O    3.828654   5.477414   5.332853   6.420104   6.354353
    28  N    3.266149   4.613254   5.020939   4.488292   4.575267
    29  H    2.283965   4.051344   3.705124   6.109352   6.416590
    30  C    3.113174   4.144076   4.705539   4.077381   4.473173
    31  H    4.099625   5.112973   5.583637   4.488027   4.779708
    32  H    3.339396   3.921108   4.888333   3.038635   3.593949
    33  H    2.382085   3.482263   3.785459   4.791221   5.357465
    34  C    4.547245   5.709148   6.334965   4.135771   3.827771
    35  H    5.383802   6.628041   7.144830   4.782306   4.349419
    36  H    4.802396   5.999585   6.567100   4.660659   4.235666
    37  H    4.774810   5.621994   6.538244   3.089671   2.734974
    38  C    6.259312   6.294107   7.361986   5.534825   5.382187
    39  O    6.154128   5.998124   6.984196   6.205481   6.259238
    40  N    5.951255   6.369384   7.255720   5.506242   5.185433
    41  H    6.909121   6.819945   8.062467   5.198547   4.953621
    42  C    5.431450   6.127063   6.661917   6.314564   6.094418
    43  H    5.007004   5.543701   6.007711   6.564143   6.542198
    44  H    6.370712   7.146448   7.548457   7.299226   6.973020
    45  H    4.852148   5.808814   6.247013   5.968322   5.734482
    46  C    6.483415   7.036360   7.994090   5.055048   4.433606
    47  H    7.097656   7.441450   8.583335   4.774200   4.069301
    48  H    5.794600   6.485811   7.417844   4.392732   3.775028
    49  H    7.235852   7.943890   8.761531   6.014740   5.280879
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057137   0.000000
    18  C    1.465564   3.417375   0.000000
    19  H    2.098811   4.091686   1.101193   0.000000
    20  H    2.122259   3.985781   1.102845   1.790844   0.000000
    21  H    2.102061   3.651317   1.097394   1.797464   1.797507
    22  C    1.463398   2.561181   2.493207   2.610914   2.940130
    23  H    2.116436   3.297496   2.810557   2.946015   2.840784
    24  H    2.107046   3.357180   2.726107   2.384934   3.331661
    25  H    2.105334   2.156732   3.419409   3.627283   3.899435
    26  C    6.147096   5.488261   6.805002   6.766894   7.880380
    27  O    6.879809   6.400243   7.332610   7.256130   8.419061
    28  N    5.151377   4.254886   5.944693   6.090514   6.971653
    29  H    6.474011   5.799942   7.230148   7.100782   8.297912
    30  C    4.753213   3.515027   5.838533   6.039442   6.784502
    31  H    5.366001   3.781883   6.536352   6.868280   7.409432
    32  H    3.688194   2.461034   4.850463   5.115874   5.753109
    33  H    5.244097   4.180455   6.337899   6.381837   7.293690
    34  C    4.998345   4.136698   5.622090   5.951061   6.593730
    35  H    5.809304   4.675141   6.494464   6.923153   7.403083
    36  H    5.363455   4.873786   5.721116   5.951179   6.719884
    37  H    4.044959   3.179638   4.709248   5.168886   5.625170
    38  C    5.031841   6.405551   4.102693   3.614458   4.853930
    39  O    5.504696   6.997672   4.600657   3.845543   5.321052
    40  N    5.320828   6.298363   4.655595   4.378356   5.527300
    41  H    4.673920   6.179370   3.538655   3.215206   4.123827
    42  C    6.191122   6.932656   5.753800   5.377827   6.716822
    43  H    6.256564   7.128958   5.831543   5.268726   6.799865
    44  H    7.217771   7.942093   6.703262   6.344364   7.617564
    45  H    6.042904   6.460920   5.853210   5.603356   6.880752
    46  C    5.184465   5.882960   4.611890   4.683126   5.425814
    47  H    4.840991   5.728434   4.072794   4.274001   4.728931
    48  H    4.732869   5.097595   4.473212   4.656903   5.379371
    49  H    6.243153   6.810315   5.675350   5.767387   6.442160
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389040   0.000000
    23  H    3.841374   1.102411   0.000000
    24  H    3.598088   1.102791   1.789591   0.000000
    25  H    4.174389   1.098935   1.797400   1.794998   0.000000
    26  C    6.531983   6.451001   7.552739   6.188699   6.137544
    27  O    6.915583   7.326134   8.424328   7.011423   7.138359
    28  N    5.675216   5.567942   6.656769   5.509825   5.198528
    29  H    7.109150   6.530910   7.613520   6.186429   6.124928
    30  C    5.803806   4.895150   5.937555   4.962696   4.283507
    31  H    6.472512   5.548657   6.525500   5.777556   4.822286
    32  H    4.904611   3.848394   4.880041   4.027115   3.259178
    33  H    6.430406   5.103793   6.127934   5.006470   4.437994
    34  C    5.120776   5.775008   6.815191   5.873102   5.550271
    35  H    5.957071   6.610533   7.618129   6.813058   6.290936
    36  H    5.088239   6.229004   7.265616   6.203917   6.169815
    37  H    4.226825   4.941728   5.931842   5.177320   4.768794
    38  C    3.556149   5.821705   6.457567   5.334119   6.575996
    39  O    4.316454   6.018163   6.602726   5.334445   6.801240
    40  N    3.936557   6.222346   7.008327   5.819773   6.804686
    41  H    2.898025   5.611678   6.125598   5.284073   6.449105
    42  C    5.148531   6.909175   7.795653   6.382703   7.351725
    43  H    5.410339   6.762664   7.625025   6.084413   7.225606
    44  H    6.023506   7.986874   8.855310   7.468138   8.441695
    45  H    5.246069   6.760845   7.732504   6.312711   7.049368
    46  C    3.669693   6.330705   7.120377   6.176173   6.834105
    47  H    3.041260   6.097756   6.761560   6.054427   6.702492
    48  H    3.588045   5.865014   6.744980   5.787410   6.215003
    49  H    4.693889   7.412978   8.208373   7.267218   7.880539
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242561   0.000000
    28  N    1.361094   2.314936   0.000000
    29  H    1.107863   2.057366   2.057352   0.000000
    30  C    2.467515   3.636053   1.463798   2.564368   0.000000
    31  H    3.129752   4.222296   2.117687   3.248839   1.103035
    32  H    3.239373   4.329827   2.108533   3.406541   1.102214
    33  H    2.557437   3.799545   2.103597   2.168195   1.098802
    34  C    2.462198   2.850325   1.465113   3.413433   2.497430
    35  H    3.019570   3.312954   2.124318   3.940245   2.961240
    36  H    2.587801   2.506010   2.100891   3.660241   3.387239
    37  H    3.294287   3.811372   2.097786   4.116109   2.609003
    38  C    6.253162   6.089974   6.104815   6.848278   6.852295
    39  O    6.614098   6.480297   6.623858   7.042340   7.292394
    40  N    5.360028   5.032497   5.281405   6.092828   6.247223
    41  H    6.878286   6.802375   6.528850   7.518566   7.168773
    42  C    4.694794   4.150916   4.984613   5.365426   6.109178
    43  H    4.840579   4.415327   5.251167   5.305036   6.240435
    44  H    5.401390   4.650469   5.799610   6.106380   7.023948
    45  H    3.682854   3.092236   4.014151   4.442563   5.241264
    46  C    5.382033   5.068306   5.051447   6.282491   6.049360
    47  H    6.203680   6.022824   5.694715   7.078329   6.518546
    48  H    4.480380   4.283543   4.024178   5.421690   5.027724
    49  H    5.800846   5.277276   5.590777   6.768974   6.730031
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787798   0.000000
    33  H    1.799347   1.794675   0.000000
    34  C    2.825257   2.725059   3.419694   0.000000
    35  H    2.877590   3.346625   3.918496   1.103447   0.000000
    36  H    3.854076   3.588331   4.165824   1.097384   1.795740
    37  H    2.950722   2.379514   3.622292   1.099274   1.790897
    38  C    7.776527   6.379210   7.230057   5.737340   6.714454
    39  O    8.297063   6.840763   7.496435   6.501842   7.535895
    40  N    7.110759   5.940367   6.704553   4.791395   5.700831
    41  H    8.024469   6.567104   7.648473   6.003193   6.931046
    42  C    7.006745   6.041293   6.415952   4.749072   5.638822
    43  H    7.227091   6.159440   6.372524   5.293678   6.259613
    44  H    7.869357   7.029878   7.343533   5.473720   6.248670
    45  H    6.086491   5.304965   5.583711   3.801748   4.655009
    46  C    6.744554   5.728441   6.718890   4.185117   4.932377
    47  H    7.173709   6.035142   7.241590   4.755842   5.470698
    48  H    5.673405   4.756490   5.759908   3.089228   3.851213
    49  H    7.352436   6.532530   7.421894   4.625189   5.208449
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795230   0.000000
    38  C    5.083384   5.449574   0.000000
    39  O    5.885819   6.271942   1.243222   0.000000
    40  N    3.987044   4.684346   1.361269   2.314991   0.000000
    41  H    5.437958   5.536818   1.108350   2.058319   2.058543
    42  C    3.846209   4.957649   2.470694   2.863012   1.466003
    43  H    4.514302   5.484702   2.571233   2.462002   2.105154
    44  H    4.470335   5.773715   3.100560   3.460232   2.119187
    45  H    2.879552   4.171627   3.256986   3.747395   2.100735
    46  C    3.383648   3.989529   2.467055   3.633885   1.463420
    47  H    4.120980   4.323203   2.555989   3.797935   2.106390
    48  H    2.347395   2.910228   3.144297   4.214244   2.108699
    49  H    3.692752   4.601508   3.222535   4.329104   2.111492
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419939   0.000000
    43  H    3.654158   1.097650   0.000000
    44  H    3.997674   1.102347   1.797654   0.000000
    45  H    4.086143   1.100927   1.796150   1.790159   0.000000
    46  C    2.565926   2.488140   3.387020   2.932821   2.603842
    47  H    2.165018   3.418533   4.188080   3.866746   3.643785
    48  H    3.291143   2.763191   3.617078   3.388899   2.435306
    49  H    3.370043   2.754783   3.797631   2.786156   2.856869
                   46         47         48         49
    46  C    0.000000
    47  H    1.098615   0.000000
    48  H    1.103805   1.796415   0.000000
    49  H    1.101785   1.796251   1.791580   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2168771      0.1956640      0.1841299
 Leave Link  202 at Mon Nov 14 05:36:10 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.7623017807 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854427893 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.5768589914 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4044
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.11D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     231
 GePol: Fraction of low-weight points (<1% of avg)   =       5.71%
 GePol: Cavity surface area                          =    468.336 Ang**2
 GePol: Cavity volume                                =    458.572 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040395911 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.5728194004 Hartrees.
 Leave Link  301 at Mon Nov 14 05:36:10 2016, MaxMem=  2952790016 cpu:         1.6
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11995 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:36:12 2016, MaxMem=  2952790016 cpu:        14.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:36:12 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000179   -0.000947   -0.000096
         Rot=    1.000000    0.000026   -0.000002    0.000001 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:36:12 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49061808.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.88D-15 for   2474.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.43D-15 for   1367     26.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.55D-15 for   3734.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.16D-10 for   1806   1378.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.44D-15 for   2032.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.06D-14 for   2309    515.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   2370.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.19D-16 for   2334    494.
 E= -1013.45144681641    
 DIIS: error= 8.70D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45144681641     IErMin= 1 ErrMin= 8.70D-05
 ErrMax= 8.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-05 BMatP= 1.55D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=2.04D-05 MaxDP=7.21D-04              OVMax= 1.10D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.04D-05    CP:  1.00D+00
 E= -1013.45147211453     Delta-E=       -0.000025298126 Rises=F Damp=F
 DIIS: error= 2.97D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147211453     IErMin= 2 ErrMin= 2.97D-05
 ErrMax= 2.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.01D-07 BMatP= 1.55D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.466D-01 0.953D+00
 Coeff:      0.466D-01 0.953D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.01D-06 MaxDP=5.82D-04 DE=-2.53D-05 OVMax= 9.32D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.79D-06    CP:  1.00D+00  9.17D-01
 E= -1013.45146923960     Delta-E=        0.000002874929 Rises=F Damp=F
 DIIS: error= 8.50D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147211453     IErMin= 2 ErrMin= 2.97D-05
 ErrMax= 8.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.02D-06 BMatP= 6.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.334D-02 0.726D+00 0.271D+00
 Coeff:      0.334D-02 0.726D+00 0.271D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.15D-06 MaxDP=4.60D-04 DE= 2.87D-06 OVMax= 7.32D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.43D-06    CP:  1.00D+00  9.58D-01  2.83D-01
 E= -1013.45147261777     Delta-E=       -0.000003378162 Rises=F Damp=F
 DIIS: error= 6.17D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147261777     IErMin= 4 ErrMin= 6.17D-06
 ErrMax= 6.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-08 BMatP= 6.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.445D-05 0.259D+00 0.126D+00 0.615D+00
 Coeff:     -0.445D-05 0.259D+00 0.126D+00 0.615D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.32D-07 MaxDP=2.86D-05 DE=-3.38D-06 OVMax= 5.29D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.46D-07    CP:  1.00D+00  9.64D-01  2.97D-01  6.47D-01
 E= -1013.45147264092     Delta-E=       -0.000000023150 Rises=F Damp=F
 DIIS: error= 2.64D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147264092     IErMin= 5 ErrMin= 2.64D-06
 ErrMax= 2.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-09 BMatP= 2.86D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-04 0.138D+00 0.697D-01 0.382D+00 0.410D+00
 Coeff:     -0.129D-04 0.138D+00 0.697D-01 0.382D+00 0.410D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.46D-07 MaxDP=1.03D-05 DE=-2.31D-08 OVMax= 1.10D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.09D-07    CP:  1.00D+00  9.65D-01  2.97D-01  6.56D-01  7.25D-01
 E= -1013.45147264383     Delta-E=       -0.000000002913 Rises=F Damp=F
 DIIS: error= 5.28D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147264383     IErMin= 6 ErrMin= 5.28D-07
 ErrMax= 5.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.22D-11 BMatP= 3.27D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.196D-04 0.486D-01 0.249D-01 0.143D+00 0.202D+00 0.581D+00
 Coeff:     -0.196D-04 0.486D-01 0.249D-01 0.143D+00 0.202D+00 0.581D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.33D-08 MaxDP=2.42D-06 DE=-2.91D-09 OVMax= 2.04D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.82D-08    CP:  1.00D+00  9.65D-01  2.97D-01  6.60D-01  7.21D-01
                    CP:  8.49D-01
 E= -1013.45147264384     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 1.81D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45147264384     IErMin= 7 ErrMin= 1.81D-07
 ErrMax= 1.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-11 BMatP= 9.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.147D-04 0.117D-01 0.607D-02 0.376D-01 0.694D-01 0.351D+00
 Coeff-Com:  0.524D+00
 Coeff:     -0.147D-04 0.117D-01 0.607D-02 0.376D-01 0.694D-01 0.351D+00
 Coeff:      0.524D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.20D-08 MaxDP=7.20D-07 DE=-1.55D-11 OVMax= 7.35D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.20D-09    CP:  1.00D+00  9.65D-01  2.97D-01  6.61D-01  7.22D-01
                    CP:  8.56D-01  7.04D-01
 E= -1013.45147264387     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 4.10D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1013.45147264387     IErMin= 8 ErrMin= 4.10D-08
 ErrMax= 4.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-12 BMatP= 1.84D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.725D-05 0.438D-02 0.232D-02 0.148D-01 0.302D-01 0.177D+00
 Coeff-Com:  0.309D+00 0.463D+00
 Coeff:     -0.725D-05 0.438D-02 0.232D-02 0.148D-01 0.302D-01 0.177D+00
 Coeff:      0.309D+00 0.463D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.74D-09 MaxDP=3.67D-07 DE=-2.82D-11 OVMax= 5.92D-07

 Error on total polarization charges =  0.04309
 SCF Done:  E(RB97D) =  -1013.45147264     A.U. after    8 cycles
            NFock=  8  Conv=0.47D-08     -V/T= 2.0213
 KE= 9.923522801945D+02 PE=-6.034670269951D+03 EE= 2.177293697713D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:37:55 2016, MaxMem=  2952790016 cpu:      1165.2
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11995 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     367
 Leave Link  701 at Mon Nov 14 05:38:03 2016, MaxMem=  2952790016 cpu:        96.5
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:38:03 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:38:40 2016, MaxMem=  2952790016 cpu:       442.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.20283204D+00-2.51847129D+00 3.30653738D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000168645    0.000151693    0.000034032
      2        6          -0.000029439   -0.000022804    0.000018931
      3        8           0.000002460    0.000026898   -0.000000704
      4        7           0.000017474    0.000010363   -0.000075130
      5        1           0.000008312    0.000028111    0.000029267
      6        6           0.000088255    0.000045050    0.000024187
      7        1          -0.000000489    0.000000824    0.000050374
      8        1          -0.000071285   -0.000017482    0.000049027
      9        1          -0.000018827    0.000031105    0.000010715
     10        6          -0.000002540   -0.000003441   -0.000015882
     11        1           0.000010418    0.000024137    0.000024673
     12        1          -0.000000005    0.000017271    0.000001032
     13        1           0.000003006    0.000016854    0.000013302
     14        6          -0.000064948   -0.000023556   -0.000119163
     15        8          -0.000008036    0.000001517   -0.000008092
     16        7           0.000067712   -0.000078579   -0.000029441
     17        1           0.000002240    0.000023693   -0.000030828
     18        6          -0.000068088    0.000027483   -0.000011044
     19        1          -0.000002129    0.000001901   -0.000049718
     20        1          -0.000006159    0.000008705   -0.000031406
     21        1          -0.000002641   -0.000011922   -0.000009946
     22        6          -0.000020938    0.000056678   -0.000035989
     23        1          -0.000034990    0.000034054   -0.000021323
     24        1          -0.000070395    0.000003450    0.000023413
     25        1          -0.000027534   -0.000019453   -0.000035155
     26        6           0.000021014    0.000005050    0.000011224
     27        8           0.000013451   -0.000024439    0.000015429
     28        7           0.000030598   -0.000022315    0.000029765
     29        1          -0.000029161   -0.000022344   -0.000008988
     30        6           0.000014730    0.000048671    0.000026488
     31        1          -0.000005206   -0.000029798   -0.000035699
     32        1          -0.000017608   -0.000029607    0.000002895
     33        1          -0.000013392   -0.000009855   -0.000011862
     34        6          -0.000010795   -0.000035974    0.000011347
     35        1          -0.000005075   -0.000031187   -0.000009730
     36        1           0.000008566   -0.000013001    0.000003641
     37        1          -0.000010120   -0.000012435   -0.000034642
     38        6           0.000003322   -0.000026932    0.000027531
     39        8           0.000002152   -0.000026521    0.000039612
     40        7           0.000037970   -0.000037812   -0.000000361
     41        1          -0.000029531    0.000005762   -0.000012244
     42        6          -0.000123991   -0.000034730    0.000091115
     43        1          -0.000000605   -0.000014649    0.000018771
     44        1           0.000100219    0.000040957   -0.000021492
     45        1           0.000055822   -0.000025604    0.000029190
     46        6           0.000009103   -0.000007697   -0.000037676
     47        1           0.000000939   -0.000007832    0.000003111
     48        1           0.000005028   -0.000002692    0.000047712
     49        1           0.000002493   -0.000017567    0.000009728
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000168645 RMS     0.000038309
 Leave Link  716 at Mon Nov 14 05:38:40 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000045488 RMS     0.000007807
 Search for a local minimum.
 Step number 125 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .78066D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    116  117  118  119  120
                                                    121  122  123  124  125
 DE= -2.15D-06 DEPred=-1.63D-06 R= 1.32D+00
 TightC=F SS=  1.41D+00  RLast= 3.55D-02 DXNew= 4.7664D-01 1.0654D-01
 Trust test= 1.32D+00 RLast= 3.55D-02 DXMaxT set to 2.83D-01
 ITU=  1  1  1  1  1 -1  1 -1  0 -1  1  1  1  0 -1  0  0 -1  1  1
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1  1
 ITU= -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1  1
 ITU=  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00034   0.00077   0.00080   0.00100
     Eigenvalues ---    0.00106   0.00129   0.00179   0.00188   0.00229
     Eigenvalues ---    0.00234   0.00265   0.00339   0.00355   0.00458
     Eigenvalues ---    0.00546   0.00627   0.00689   0.00748   0.00831
     Eigenvalues ---    0.00855   0.00861   0.00954   0.00990   0.01060
     Eigenvalues ---    0.01123   0.01177   0.01229   0.01359   0.01462
     Eigenvalues ---    0.01558   0.01588   0.01688   0.01731   0.01776
     Eigenvalues ---    0.01781   0.01830   0.01876   0.01924   0.02035
     Eigenvalues ---    0.02124   0.02248   0.02275   0.02412   0.02446
     Eigenvalues ---    0.02535   0.02655   0.02856   0.03116   0.03274
     Eigenvalues ---    0.03315   0.04017   0.04480   0.04600   0.05215
     Eigenvalues ---    0.05587   0.05920   0.06000   0.06251   0.06282
     Eigenvalues ---    0.06496   0.06652   0.06903   0.07033   0.07207
     Eigenvalues ---    0.07330   0.07626   0.07662   0.07898   0.08130
     Eigenvalues ---    0.08319   0.08498   0.08567   0.08844   0.09006
     Eigenvalues ---    0.09228   0.09363   0.09480   0.09577   0.09747
     Eigenvalues ---    0.09977   0.10155   0.10435   0.10601   0.10753
     Eigenvalues ---    0.10934   0.11164   0.11274   0.11440   0.12930
     Eigenvalues ---    0.13273   0.14108   0.14401   0.14899   0.15172
     Eigenvalues ---    0.15356   0.15552   0.20835   0.22327   0.23101
     Eigenvalues ---    0.23262   0.24614   0.24835   0.25302   0.25941
     Eigenvalues ---    0.26939   0.27451   0.28135   0.28649   0.29400
     Eigenvalues ---    0.29701   0.30598   0.32780   0.32806   0.32858
     Eigenvalues ---    0.32947   0.33224   0.33303   0.33364   0.33371
     Eigenvalues ---    0.33391   0.33422   0.33458   0.33511   0.33729
     Eigenvalues ---    0.33813   0.33826   0.33839   0.33956   0.33971
     Eigenvalues ---    0.34078   0.34241   0.34275   0.35929   0.36928
     Eigenvalues ---    0.39464   0.40859   0.86132   0.86311   0.86982
     Eigenvalues ---    0.89370
 Eigenvalue     1 is   1.39D-05 Eigenvector:
                         D399      D397      D407      D395      D379
   1                   -0.22785  -0.22657  -0.22381  -0.22285  -0.22196
                         D401      D393      D377      D405      D381
   1                   -0.22174  -0.22128  -0.22127  -0.22030  -0.21946
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   125  124  123  122  121
 RFO step:  Lambda=-2.38320551D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.57D-06 SmlDif=  1.00D-05
 RMS Error=  0.4734446444D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.71125   -0.77403    0.02119    0.13808   -0.09650
 Iteration  1 RMS(Cart)=  0.00122411 RMS(Int)=  0.00000370
 Iteration  2 RMS(Cart)=  0.00000131 RMS(Int)=  0.00000095
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000095
 ITry= 1 IFail=0 DXMaxC= 1.06D-02 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58263  -0.00001  -0.00168   0.00013  -0.00156   6.58108
    R2        6.25098   0.00000   0.00159   0.00029   0.00187   6.25286
    R3        7.18793   0.00000   0.00241  -0.00167   0.00073   7.18866
    R4        6.24722  -0.00004   0.00292  -0.00317  -0.00025   6.24697
    R5        6.53983   0.00002   0.00174   0.00032   0.00206   6.54189
    R6        5.95015   0.00000  -0.00216  -0.00045  -0.00261   5.94755
    R7        6.69023   0.00000  -0.00071   0.00004  -0.00067   6.68956
    R8        6.21125   0.00002   0.00077   0.00060   0.00137   6.21262
    R9        6.63434   0.00002   0.00089   0.00043   0.00132   6.63565
   R10        6.06079   0.00001   0.00041   0.00041   0.00082   6.06161
   R11        6.92784   0.00002   0.00066   0.00076   0.00142   6.92926
   R12        6.00934   0.00000  -0.00017   0.00056   0.00039   6.00973
   R13        6.88999   0.00000   0.00027   0.00059   0.00086   6.89085
   R14        6.19074   0.00001   0.00052   0.00029   0.00081   6.19155
   R15        6.83475  -0.00001   0.00087  -0.00058   0.00029   6.83504
   R16        5.92968   0.00000  -0.00028  -0.00095  -0.00122   5.92845
   R17        6.68633   0.00001  -0.00079   0.00017  -0.00062   6.68571
   R18        6.54329  -0.00001   0.00084  -0.00187  -0.00103   6.54227
   R19        6.22465  -0.00001   0.00023   0.00018   0.00041   6.22506
   R20        6.56391   0.00000  -0.00099  -0.00093  -0.00192   6.56199
   R21        6.02012   0.00000  -0.00117  -0.00149  -0.00266   6.01746
   R22        7.03574  -0.00001   0.00167   0.00194   0.00361   7.03935
   R23        6.04905   0.00003   0.00158   0.00266   0.00424   6.05329
   R24        2.34948   0.00001  -0.00001   0.00000  -0.00001   2.34947
   R25        2.57203   0.00002   0.00004   0.00008   0.00013   2.57216
   R26        2.09470   0.00000  -0.00002   0.00000  -0.00002   2.09468
   R27        2.76499   0.00005   0.00003   0.00006   0.00010   2.76509
   R28        2.76808   0.00000  -0.00008   0.00002  -0.00005   2.76803
   R29        2.07666   0.00000   0.00001   0.00000   0.00001   2.07668
   R30        2.08264   0.00001  -0.00004   0.00003  -0.00001   2.08263
   R31        2.08272  -0.00001  -0.00002  -0.00003  -0.00004   2.08267
   R32        2.08112   0.00001   0.00003   0.00003   0.00007   2.08119
   R33        2.07449   0.00000  -0.00001  -0.00001  -0.00002   2.07446
   R34        2.08342  -0.00001  -0.00002  -0.00001  -0.00002   2.08340
   R35        2.34841   0.00002  -0.00001   0.00004   0.00002   2.34843
   R36        2.57174  -0.00004  -0.00009  -0.00005  -0.00014   2.57160
   R37        2.09432   0.00000  -0.00002   0.00002   0.00000   2.09432
   R38        2.76951   0.00004   0.00011  -0.00003   0.00008   2.76960
   R39        2.76542  -0.00003  -0.00005  -0.00005  -0.00010   2.76532
   R40        2.08095   0.00000   0.00010  -0.00007   0.00002   2.08098
   R41        2.08408   0.00000   0.00000  -0.00001  -0.00001   2.08407
   R42        2.07377   0.00000  -0.00002   0.00001  -0.00001   2.07376
   R43        2.08326   0.00000   0.00000   0.00001   0.00000   2.08326
   R44        2.08397  -0.00002   0.00003  -0.00010  -0.00007   2.08391
   R45        2.07669   0.00000   0.00001  -0.00002   0.00000   2.07669
   R46        2.34810   0.00000  -0.00001  -0.00001  -0.00002   2.34808
   R47        2.57209   0.00000   0.00001   0.00002   0.00003   2.57212
   R48        2.09356   0.00000   0.00000   0.00000   0.00000   2.09356
   R49        2.76618  -0.00001  -0.00001  -0.00006  -0.00006   2.76612
   R50        2.76866  -0.00001   0.00002  -0.00002  -0.00001   2.76866
   R51        2.08443   0.00000  -0.00001   0.00001  -0.00001   2.08443
   R52        2.08288   0.00002   0.00015  -0.00002   0.00013   2.08301
   R53        2.07643   0.00000   0.00001  -0.00001   0.00000   2.07644
   R54        2.08521   0.00000  -0.00002   0.00000  -0.00001   2.08520
   R55        2.07375   0.00001  -0.00002   0.00002   0.00000   2.07375
   R56        2.07733   0.00000   0.00000   0.00001   0.00001   2.07734
   R57        2.34935  -0.00004  -0.00012   0.00005  -0.00007   2.34928
   R58        2.57243   0.00001   0.00010  -0.00005   0.00005   2.57248
   R59        2.09448   0.00001   0.00004  -0.00002   0.00002   2.09449
   R60        2.77034   0.00001   0.00007  -0.00003   0.00005   2.77039
   R61        2.76546  -0.00003  -0.00003   0.00000  -0.00003   2.76543
   R62        2.07426   0.00000  -0.00001  -0.00001  -0.00002   2.07424
   R63        2.08313   0.00000   0.00001  -0.00001   0.00000   2.08313
   R64        2.08045   0.00003   0.00000   0.00009   0.00009   2.08054
   R65        2.07608   0.00000   0.00001  -0.00001   0.00000   2.07608
   R66        2.08589   0.00000  -0.00002  -0.00002  -0.00004   2.08585
   R67        2.08207   0.00000  -0.00001   0.00001   0.00000   2.08207
    A1        0.68498   0.00001  -0.00014   0.00012  -0.00002   0.68497
    A2        0.96257   0.00001  -0.00021   0.00012  -0.00010   0.96247
    A3        0.72736   0.00000   0.00004  -0.00001   0.00004   0.72739
    A4        1.02082   0.00000   0.00005   0.00000   0.00005   1.02087
    A5        2.37717  -0.00002  -0.00048  -0.00021  -0.00069   2.37647
    A6        2.04366  -0.00001  -0.00042  -0.00020  -0.00062   2.04305
    A7        1.97296  -0.00001  -0.00021  -0.00020  -0.00041   1.97256
    A8        1.67171  -0.00001  -0.00012  -0.00017  -0.00029   1.67143
    A9        1.68158  -0.00001  -0.00046  -0.00016  -0.00062   1.68096
   A10        1.39605   0.00000  -0.00040  -0.00011  -0.00051   1.39554
   A11        1.73929   0.00000   0.00023   0.00019   0.00043   1.73972
   A12        2.04728   0.00000   0.00017   0.00012   0.00028   2.04756
   A13        1.95728   0.00000  -0.00001   0.00001  -0.00001   1.95728
   A14        2.05309   0.00000  -0.00053  -0.00007  -0.00059   2.05250
   A15        2.43818   0.00000   0.00026   0.00014   0.00040   2.43858
   A16        1.60797   0.00001   0.00044   0.00086   0.00130   1.60927
   A17        1.80662   0.00000   0.00045   0.00075   0.00121   1.80783
   A18        1.58108   0.00001   0.00040   0.00056   0.00096   1.58205
   A19        1.71616   0.00001   0.00041   0.00042   0.00083   1.71699
   A20        2.20788   0.00000   0.00033   0.00059   0.00092   2.20880
   A21        2.42691   0.00000   0.00041   0.00057   0.00098   2.42789
   A22        0.64950   0.00001  -0.00029   0.00016  -0.00013   0.64937
   A23        0.66185   0.00000   0.00003   0.00001   0.00003   0.66188
   A24        2.45385  -0.00001   0.00002   0.00018   0.00020   2.45404
   A25        2.26149  -0.00001   0.00006   0.00012   0.00018   2.26167
   A26        2.32861  -0.00001   0.00008  -0.00003   0.00005   2.32865
   A27        2.04938  -0.00001   0.00013  -0.00006   0.00007   2.04945
   A28        1.85376   0.00000   0.00010   0.00018   0.00028   1.85404
   A29        1.60531   0.00000   0.00010   0.00020   0.00030   1.60560
   A30        1.34354   0.00000   0.00009   0.00014   0.00023   1.34377
   A31        1.64830   0.00000   0.00013   0.00014   0.00027   1.64857
   A32        1.60751   0.00000   0.00013   0.00018   0.00031   1.60782
   A33        1.76991   0.00000  -0.00024   0.00019  -0.00005   1.76987
   A34        2.04051   0.00000   0.00014   0.00010   0.00023   2.04074
   A35        1.87465   0.00001   0.00008   0.00083   0.00091   1.87555
   A36        1.93979   0.00000  -0.00004   0.00063   0.00059   1.94038
   A37        1.58815   0.00000  -0.00015   0.00046   0.00031   1.58846
   A38        1.60064   0.00000  -0.00017   0.00029   0.00012   1.60077
   A39        2.29049   0.00000  -0.00020   0.00035   0.00015   2.29065
   A40        2.38276   0.00000  -0.00006   0.00028   0.00022   2.38297
   A41        0.69344   0.00001  -0.00026   0.00012  -0.00014   0.69330
   A42        0.75519   0.00000   0.00017   0.00013   0.00030   0.75549
   A43        2.72767   0.00000   0.00049   0.00058   0.00107   2.72875
   A44        2.64927   0.00000   0.00001   0.00033   0.00034   2.64961
   A45        2.64961   0.00000  -0.00050  -0.00021  -0.00071   2.64890
   A46        2.33592   0.00000  -0.00049  -0.00022  -0.00071   2.33521
   A47        2.23946   0.00000   0.00007   0.00040   0.00047   2.23993
   A48        1.99586   0.00001  -0.00006   0.00035   0.00028   1.99614
   A49        1.10689   0.00000   0.00065   0.00035   0.00100   1.10789
   A50        1.47038   0.00000   0.00068   0.00037   0.00105   1.47143
   A51        1.58399   0.00000   0.00066   0.00051   0.00117   1.58516
   A52        1.82874   0.00000   0.00035   0.00055   0.00089   1.82963
   A53        1.78676   0.00000   0.00061   0.00021   0.00082   1.78757
   A54        1.73118   0.00000  -0.00049   0.00060   0.00011   1.73129
   A55        1.66259   0.00000  -0.00040   0.00035  -0.00004   1.66255
   A56        1.25966   0.00000  -0.00039   0.00024  -0.00015   1.25951
   A57        1.22180   0.00000  -0.00019   0.00009  -0.00009   1.22171
   A58        1.95132  -0.00001  -0.00036   0.00006  -0.00030   1.95102
   A59        1.99890  -0.00001   0.00000   0.00007   0.00006   1.99897
   A60        0.84752   0.00001  -0.00046   0.00017  -0.00029   0.84723
   A61        0.78974   0.00000   0.00002   0.00023   0.00025   0.78999
   A62        2.65314   0.00001   0.00086   0.00072   0.00158   2.65472
   A63        2.83023   0.00000   0.00051   0.00075   0.00126   2.83148
   A64        2.58709  -0.00001  -0.00072  -0.00040  -0.00112   2.58597
   A65        2.44460   0.00001   0.00033   0.00067   0.00099   2.44559
   A66        2.23909   0.00001   0.00003   0.00051   0.00054   2.23963
   A67        0.86953   0.00000   0.00082   0.00053   0.00135   0.87088
   A68        1.24732   0.00000   0.00083   0.00053   0.00136   1.24868
   A69        1.44106   0.00000   0.00080   0.00072   0.00152   1.44258
   A70        1.71919   0.00001   0.00058   0.00076   0.00134   1.72053
   A71        1.52376   0.00000   0.00072   0.00029   0.00100   1.52476
   A72        1.74264   0.00000  -0.00072   0.00037  -0.00035   1.74228
   A73        1.56885   0.00000  -0.00058   0.00013  -0.00045   1.56840
   A74        1.13823  -0.00001  -0.00061   0.00007  -0.00054   1.13769
   A75        1.02387  -0.00001  -0.00037  -0.00004  -0.00040   1.02347
   A76        1.78028  -0.00001  -0.00043  -0.00014  -0.00057   1.77971
   A77        1.77133  -0.00001   0.00000  -0.00007  -0.00007   1.77126
   A78        2.06103  -0.00001   0.00041   0.00035   0.00075   2.06178
   A79        1.99270  -0.00001   0.00070   0.00044   0.00114   1.99384
   A80        2.25342   0.00000   0.00083   0.00039   0.00122   2.25465
   A81        2.08888  -0.00001   0.00090   0.00031   0.00121   2.09009
   A82        1.59727   0.00000   0.00082   0.00051   0.00133   1.59861
   A83        1.42147   0.00001   0.00084   0.00053   0.00137   1.42284
   A84        1.19095   0.00000  -0.00053  -0.00024  -0.00077   1.19018
   A85        1.38668   0.00000  -0.00033  -0.00014  -0.00047   1.38621
   A86        1.23014   0.00000  -0.00008   0.00000  -0.00008   1.23005
   A87        1.34989   0.00000  -0.00029   0.00011  -0.00017   1.34971
   A88        1.81298   0.00000  -0.00029  -0.00017  -0.00046   1.81252
   A89        2.30444   0.00001   0.00008   0.00082   0.00090   2.30535
   A90        2.34932   0.00000  -0.00047   0.00052   0.00006   2.34937
   A91        1.95259   0.00000  -0.00070   0.00035  -0.00035   1.95224
   A92        1.87087   0.00000  -0.00087   0.00012  -0.00076   1.87011
   A93        2.62776   0.00000  -0.00088   0.00004  -0.00084   2.62692
   A94        2.56387   0.00000  -0.00076  -0.00015  -0.00091   2.56296
   A95        1.97279   0.00000   0.00035   0.00046   0.00081   1.97360
   A96        2.04329   0.00000   0.00062   0.00057   0.00119   2.04448
   A97        2.41045   0.00000   0.00069   0.00053   0.00122   2.41167
   A98        2.34024   0.00000   0.00078   0.00041   0.00118   2.34142
   A99        1.70316   0.00001   0.00079   0.00065   0.00143   1.70459
   A100       1.60023   0.00002   0.00075   0.00063   0.00137   1.60160
   A101       0.88497   0.00000  -0.00038  -0.00029  -0.00067   0.88430
   A102       1.06593   0.00000  -0.00016  -0.00010  -0.00026   1.06566
   A103       0.94703   0.00000   0.00007   0.00014   0.00021   0.94724
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   A163       2.13704   0.00001   0.00008  -0.00051  -0.00043   2.13661
   A164       1.47785   0.00001   0.00004  -0.00019  -0.00014   1.47771
   A165       1.62702   0.00001  -0.00015  -0.00014  -0.00030   1.62673
   A166       2.16119   0.00001   0.00031   0.00005   0.00036   2.16155
   A167       1.85912   0.00001   0.00033   0.00005   0.00037   1.85949
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   A169       1.19350   0.00001   0.00034   0.00002   0.00036   1.19387
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   A173       2.63198  -0.00001  -0.00004  -0.00087  -0.00092   2.63106
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   A182       2.23459  -0.00001   0.00004  -0.00066  -0.00062   2.23397
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   A328       3.22631   0.00000   0.00232   0.00039   0.00271   3.22902
   A329       3.25715   0.00000   0.00028   0.00001   0.00029   3.25744
   A330       3.25792   0.00000  -0.00116   0.00025  -0.00091   3.25701
   A331       3.70519   0.00000   0.00064   0.00061   0.00125   3.70644
   A332       3.28248   0.00001   0.00096   0.00097   0.00193   3.28441
   A333       2.93775   0.00000   0.00001  -0.00066  -0.00065   2.93710
   A334       2.88164  -0.00001   0.00007  -0.00063  -0.00055   2.88109
   A335       3.23365   0.00001   0.00106   0.00026   0.00132   3.23497
   A336       3.08067   0.00000  -0.00014   0.00000  -0.00014   3.08053
   A337       3.10560   0.00000   0.00005  -0.00020  -0.00015   3.10544
   A338       3.05195   0.00001   0.00024   0.00062   0.00086   3.05280
    D1        2.76031   0.00001   0.00020   0.00017   0.00037   2.76068
    D2       -1.35830   0.00001  -0.00018   0.00016  -0.00002  -1.35832
    D3        2.78525   0.00001   0.00006   0.00020   0.00027   2.78552
    D4       -1.33336   0.00001  -0.00032   0.00019  -0.00013  -1.33349
    D5        1.65977   0.00000   0.00058   0.00004   0.00062   1.66039
    D6       -2.45884   0.00000   0.00020   0.00003   0.00023  -2.45861
    D7        1.83244   0.00001   0.00001  -0.00006  -0.00005   1.83239
    D8       -2.28616   0.00001  -0.00037  -0.00007  -0.00044  -2.28661
    D9        0.23791   0.00000  -0.00088  -0.00090  -0.00178   0.23614
   D10        2.40249   0.00000  -0.00126  -0.00091  -0.00217   2.40032
   D11       -0.02840   0.00000  -0.00097  -0.00085  -0.00183  -0.03022
   D12        2.13618   0.00000  -0.00136  -0.00086  -0.00222   2.13396
   D13       -0.49723   0.00000  -0.00089  -0.00077  -0.00166  -0.49889
   D14        1.66735   0.00000  -0.00128  -0.00078  -0.00206   1.66529
   D15       -0.59885   0.00000  -0.00107  -0.00073  -0.00180  -0.60065
   D16        1.56572   0.00000  -0.00145  -0.00074  -0.00219   1.56353
   D17        0.17398  -0.00001  -0.00120  -0.00092  -0.00212   0.17186
   D18        2.33855  -0.00001  -0.00158  -0.00093  -0.00251   2.33604
   D19        0.11787  -0.00001  -0.00113  -0.00089  -0.00202   0.11585
   D20        2.28244  -0.00001  -0.00152  -0.00090  -0.00241   2.28003
   D21        2.37223   0.00000  -0.00095  -0.00086  -0.00181   2.37042
   D22       -1.74638   0.00000  -0.00133  -0.00088  -0.00221  -1.74858
   D23        2.13389   0.00000  -0.00104  -0.00092  -0.00196   2.13193
   D24       -1.98472   0.00000  -0.00142  -0.00093  -0.00235  -1.98707
   D25        1.68520   0.00000  -0.00094  -0.00094  -0.00189   1.68331
   D26       -2.43341   0.00000  -0.00132  -0.00096  -0.00228  -2.43569
   D27        1.37633   0.00000  -0.00101  -0.00097  -0.00198   1.37435
   D28       -2.74228   0.00000  -0.00139  -0.00098  -0.00238  -2.74466
   D29        2.35659   0.00000  -0.00113  -0.00101  -0.00214   2.35445
   D30       -1.76202   0.00000  -0.00151  -0.00102  -0.00253  -1.76455
   D31       -1.74349   0.00000  -0.00111   0.00004  -0.00107  -1.74456
   D32        0.42108   0.00001  -0.00149   0.00002  -0.00146   0.41962
   D33       -2.09771   0.00000  -0.00109  -0.00016  -0.00125  -2.09896
   D34        0.06686   0.00000  -0.00147  -0.00017  -0.00164   0.06522
   D35       -2.47165   0.00000  -0.00115  -0.00012  -0.00127  -2.47292
   D36       -0.30707   0.00000  -0.00153  -0.00014  -0.00167  -0.30874
   D37       -2.76377  -0.00001  -0.00121  -0.00026  -0.00146  -2.76524
   D38       -0.59920  -0.00001  -0.00159  -0.00027  -0.00186  -0.60105
   D39       -2.12852   0.00000  -0.00106  -0.00042  -0.00147  -2.13000
   D40        0.03605   0.00000  -0.00144  -0.00043  -0.00187   0.03419
   D41       -2.37396   0.00000  -0.00082  -0.00050  -0.00133  -2.37528
   D42       -0.20938   0.00000  -0.00121  -0.00051  -0.00172  -0.21110
   D43        1.26299   0.00001  -0.00009   0.00016   0.00007   1.26306
   D44       -1.96160   0.00001   0.00060  -0.00109  -0.00049  -1.96209
   D45        2.45015   0.00000   0.00032  -0.00005   0.00026   2.45042
   D46       -0.77443   0.00000   0.00100  -0.00130  -0.00030  -0.77473
   D47        2.92900   0.00000  -0.00004  -0.00017  -0.00021   2.92879
   D48       -0.29558   0.00000   0.00064  -0.00142  -0.00077  -0.29636
   D49        2.88391  -0.00002  -0.00225  -0.00080  -0.00306   2.88085
   D50       -0.34068  -0.00002  -0.00157  -0.00205  -0.00362  -0.34430
   D51        1.97180   0.00000  -0.00262  -0.00160  -0.00422   1.96758
   D52       -1.25278   0.00000  -0.00194  -0.00285  -0.00479  -1.25757
   D53        1.03567   0.00000  -0.00206  -0.00163  -0.00369   1.03197
   D54       -2.18892   0.00000  -0.00138  -0.00288  -0.00426  -2.19317
   D55        0.96066   0.00000  -0.00173  -0.00105  -0.00278   0.95788
   D56       -2.26393   0.00000  -0.00105  -0.00230  -0.00335  -2.26727
   D57        1.99413  -0.00001  -0.00201  -0.00112  -0.00313   1.99101
   D58       -1.23045  -0.00001  -0.00133  -0.00236  -0.00369  -1.23414
   D59        1.80683  -0.00001  -0.00162  -0.00093  -0.00255   1.80428
   D60       -1.41775  -0.00001  -0.00094  -0.00218  -0.00312  -1.42087
   D61       -2.30890   0.00000  -0.00120  -0.00091  -0.00211  -2.31102
   D62        0.74970   0.00000  -0.00052  -0.00215  -0.00268   0.74702
   D63       -2.42966   0.00000  -0.00104  -0.00071  -0.00175  -2.43141
   D64        0.62894   0.00000  -0.00036  -0.00196  -0.00231   0.62663
   D65       -2.83105   0.00001  -0.00097  -0.00070  -0.00167  -2.83272
   D66        0.22756   0.00000  -0.00029  -0.00194  -0.00223   0.22532
   D67       -2.99907   0.00000  -0.00132  -0.00066  -0.00198  -3.00105
   D68        0.05953   0.00000  -0.00063  -0.00191  -0.00254   0.05699
   D69       -2.14178   0.00000  -0.00087  -0.00056  -0.00143  -2.14321
   D70        0.91682   0.00000  -0.00019  -0.00180  -0.00199   0.91483
   D71       -0.16885   0.00000  -0.00137  -0.00051  -0.00188  -0.17073
   D72        2.88975   0.00000  -0.00069  -0.00176  -0.00245   2.88731
   D73       -0.56895   0.00000  -0.00134  -0.00058  -0.00192  -0.57087
   D74        2.48965   0.00000  -0.00065  -0.00183  -0.00248   2.48717
   D75       -0.73105   0.00000  -0.00153  -0.00040  -0.00192  -0.73298
   D76        2.32755   0.00000  -0.00084  -0.00164  -0.00249   2.32506
   D77       -1.06801  -0.00001  -0.00164  -0.00042  -0.00205  -1.07007
   D78        1.99059  -0.00001  -0.00095  -0.00166  -0.00262   1.98797
   D79       -0.85821   0.00000  -0.00108  -0.00069  -0.00177  -0.85998
   D80        2.20039   0.00000  -0.00040  -0.00194  -0.00233   2.19806
   D81       -1.16148   0.00000  -0.00090  -0.00065  -0.00155  -1.16302
   D82        1.89713   0.00000  -0.00022  -0.00189  -0.00211   1.89501
   D83       -1.52116   0.00001   0.00109   0.00014   0.00123  -1.51993
   D84       -2.60200   0.00000   0.00120   0.00000   0.00120  -2.60080
   D85       -2.93674   0.00000   0.00102   0.00011   0.00113  -2.93561
   D86        0.73239  -0.00001  -0.00006  -0.00054  -0.00060   0.73179
   D87        0.29878   0.00000  -0.00027  -0.00063  -0.00090   0.29789
   D88       -0.10562   0.00000  -0.00030  -0.00072  -0.00102  -0.10664
   D89       -0.43507   0.00000  -0.00049  -0.00070  -0.00119  -0.43625
   D90        0.18665  -0.00001  -0.00054  -0.00068  -0.00122   0.18543
   D91       -0.04592  -0.00001  -0.00046  -0.00062  -0.00107  -0.04699
   D92        2.38733   0.00000  -0.00045  -0.00081  -0.00126   2.38607
   D93        2.04583   0.00000  -0.00035  -0.00073  -0.00108   2.04475
   D94        1.64542   0.00000  -0.00041  -0.00083  -0.00124   1.64418
   D95        1.36369   0.00000  -0.00043  -0.00078  -0.00121   1.36248
   D96        2.06227   0.00000  -0.00006  -0.00055  -0.00061   2.06166
   D97       -1.87666   0.00001  -0.00127  -0.00013  -0.00140  -1.87806
   D98       -2.43026   0.00000  -0.00121  -0.00066  -0.00186  -2.43212
   D99       -2.64263   0.00000  -0.00068  -0.00036  -0.00104  -2.64367
   D100      -2.97212  -0.00001  -0.00059  -0.00038  -0.00097  -2.97309
   D101      -2.92093   0.00000  -0.00108  -0.00126  -0.00234  -2.92328
   D102       2.82629  -0.00001  -0.00022  -0.00104  -0.00126   2.82503
   D103      -2.83329   0.00000  -0.00024  -0.00009  -0.00033  -2.83363
   D104       1.26281   0.00000  -0.00025   0.00012  -0.00013   1.26268
   D105       2.85244   0.00001  -0.00005   0.00002  -0.00003   2.85240
   D106       0.66536   0.00001  -0.00006   0.00023   0.00017   0.66553
   D107       2.29946   0.00001   0.00102  -0.00004   0.00099   2.30045
   D108       0.11239   0.00001   0.00101   0.00018   0.00119   0.11357
   D109       1.67458   0.00001   0.00010  -0.00099  -0.00089   1.67368
   D110      -0.51250   0.00001   0.00009  -0.00078  -0.00069  -0.51319
   D111       2.60888   0.00000  -0.00078  -0.00045  -0.00123   2.60765
   D112       0.42180   0.00000  -0.00079  -0.00024  -0.00103   0.42077
   D113       2.26588   0.00000  -0.00064  -0.00052  -0.00115   2.26473
   D114       0.07881   0.00000  -0.00065  -0.00031  -0.00095   0.07785
   D115      -1.60743   0.00000   0.00007  -0.00021  -0.00013  -1.60756
   D116       2.48868   0.00000   0.00006   0.00001   0.00007   2.48875
   D117      -1.77054   0.00000   0.00012  -0.00026  -0.00014  -1.77068
   D118       2.32556   0.00000   0.00011  -0.00004   0.00006   2.32563
   D119      -2.73430   0.00001   0.00026  -0.00006   0.00021  -2.73409
   D120       1.36181   0.00001   0.00025   0.00015   0.00041   1.36222
   D121      -2.69147   0.00001   0.00006  -0.00010  -0.00005  -2.69152
   D122       1.40464   0.00002   0.00005   0.00011   0.00016   1.40479
   D123       1.34211   0.00000  -0.00022  -0.00020  -0.00042   1.34169
   D124      -0.84497   0.00000  -0.00023   0.00001  -0.00022  -0.84519
   D125       1.32385  -0.00001  -0.00030  -0.00018  -0.00048   1.32337
   D126      -0.86323  -0.00001  -0.00031   0.00003  -0.00028  -0.86351
   D127       1.68726  -0.00001  -0.00036  -0.00015  -0.00051   1.68675
   D128      -0.49982  -0.00001  -0.00037   0.00006  -0.00031  -0.50012
   D129       1.81322  -0.00001   0.00001  -0.00014  -0.00013   1.81309
   D130      -0.37385  -0.00001   0.00000   0.00007   0.00007  -0.37378
   D131       0.92977  -0.00001  -0.00037  -0.00017  -0.00054   0.92923
   D132      -1.25731   0.00000  -0.00038   0.00004  -0.00034  -1.25765
   D133      -0.93269  -0.00001   0.00012  -0.00030  -0.00018  -0.93287
   D134      -3.11977   0.00000   0.00011  -0.00008   0.00002  -3.11974
   D135      -0.51701   0.00000   0.00008  -0.00037  -0.00029  -0.51730
   D136      -2.70409   0.00000   0.00007  -0.00016  -0.00009  -2.70418
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   D139       0.13905   0.00000   0.00016  -0.00083  -0.00067   0.13838
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   D143      -0.03346   0.00000  -0.00010  -0.00013  -0.00023  -0.03368
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   D147      -2.25431   0.00000   0.00064   0.00117   0.00181  -2.25250
   D148       3.07832   0.00000  -0.00040   0.00018  -0.00022   3.07810
   D149       2.68844   0.00000  -0.00053   0.00015  -0.00037   2.68807
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   D151       2.61967   0.00000  -0.00005   0.00006   0.00001   2.61967
   D152       2.99855   0.00001  -0.00020   0.00002  -0.00017   2.99837
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   D155       1.67068   0.00000  -0.00056   0.00010  -0.00045   1.67022
   D156       1.74249   0.00000  -0.00014   0.00010  -0.00004   1.74245
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   D264      -1.28248   0.00000   0.00100   0.00080   0.00180  -1.28069
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   D266      -1.52640   0.00001   0.00102   0.00084   0.00187  -1.52453
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   D268       1.98655   0.00000   0.00098   0.00064   0.00163   1.98817
   D269      -1.39716   0.00000   0.00069  -0.00007   0.00062  -1.39654
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   D287      -2.60477   0.00000   0.00061  -0.00039   0.00021  -2.60456
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   D307      -0.66530   0.00002   0.00104  -0.00007   0.00097  -0.66432
   D308       1.52907   0.00000   0.00042  -0.00014   0.00028   1.52935
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   D430       0.05645   0.00001   0.00061   0.00087   0.00148   0.05793
   D431       3.13954  -0.00001  -0.00047  -0.00016  -0.00063   3.13891
   D432      -0.11105   0.00000  -0.00048  -0.00077  -0.00126  -0.11230
   D433       1.98862  -0.00003  -0.00064  -0.00098  -0.00162   1.98700
   D434      -2.20810   0.00001  -0.00050  -0.00079  -0.00129  -2.20939
   D435       3.08607   0.00002   0.00052   0.00021   0.00073   3.08681
   D436      -1.09745  -0.00001   0.00037   0.00000   0.00037  -1.09708
   D437       0.98902   0.00002   0.00050   0.00019   0.00069   0.98971
   D438      -2.34511   0.00001   0.00395   0.00053   0.00448  -2.34062
   D439      -0.25430   0.00001   0.00412   0.00051   0.00462  -0.24968
   D440       1.85350   0.00001   0.00418   0.00056   0.00474   1.85824
   D441       0.74081  -0.00001   0.00293  -0.00045   0.00247   0.74328
   D442       2.83161  -0.00001   0.00309  -0.00048   0.00261   2.83423
   D443      -1.34377  -0.00001   0.00316  -0.00043   0.00273  -1.34104
   D444       0.00388   0.00000   0.00057   0.00026   0.00084   0.00472
   D445       3.11275  -0.00001  -0.00009   0.00006  -0.00002   3.11273
   D446      -3.11545   0.00002   0.00057   0.00040   0.00097  -3.11448
   D447      -0.00658   0.00002  -0.00009   0.00020   0.00012  -0.00647
   D448       2.43405   0.00000  -0.00087  -0.00019  -0.00105   2.43300
   D449      -1.76540  -0.00001  -0.00098  -0.00028  -0.00126  -1.76666
   D450       0.34257  -0.00001  -0.00090  -0.00031  -0.00120   0.34137
   D451      -0.67636   0.00000  -0.00025   0.00000  -0.00025  -0.67660
   D452       1.40738   0.00000  -0.00036  -0.00009  -0.00046   1.40692
   D453      -2.76784   0.00000  -0.00028  -0.00012  -0.00040  -2.76824
   D454       2.04469   0.00002   0.00161   0.00044   0.00204   2.04674
   D455      -2.15434   0.00001   0.00133   0.00034   0.00167  -2.15268
   D456      -0.06168   0.00003   0.00162   0.00050   0.00212  -0.05956
   D457      -1.12808   0.00001   0.00098   0.00025   0.00123  -1.12684
   D458       0.95607   0.00000   0.00071   0.00015   0.00086   0.95693
   D459       3.04874   0.00002   0.00099   0.00031   0.00131   3.05005
   D460      -3.08568   0.00000  -0.00068   0.00028  -0.00041  -3.08609
   D461      -0.02305   0.00001  -0.00015   0.00054   0.00039  -0.02266
   D462       0.06937   0.00002  -0.00051   0.00026  -0.00025   0.06913
   D463       3.13201   0.00003   0.00002   0.00053   0.00055   3.13256
   D464       1.91813   0.00000   0.00129   0.00013   0.00142   1.91955
   D465      -2.28267   0.00000   0.00129   0.00011   0.00140  -2.28127
   D466      -0.18987   0.00000   0.00131   0.00012   0.00143  -0.18844
   D467      -1.14762  -0.00001   0.00078  -0.00012   0.00066  -1.14697
   D468       0.93476  -0.00001   0.00079  -0.00015   0.00064   0.93540
   D469       3.02756  -0.00001   0.00080  -0.00013   0.00067   3.02823
   D470      -1.62792  -0.00001   0.00072  -0.00020   0.00052  -1.62740
   D471       0.47672  -0.00001   0.00069  -0.00020   0.00049   0.47721
   D472       2.56698  -0.00002   0.00066  -0.00021   0.00045   2.56743
   D473       1.43826   0.00000   0.00121   0.00006   0.00127   1.43953
   D474      -2.74027   0.00000   0.00118   0.00005   0.00124  -2.73904
   D475      -0.65002  -0.00001   0.00115   0.00004   0.00120  -0.64882
   D476       0.01355   0.00000   0.00057   0.00005   0.00061   0.01416
   D477      -3.02085   0.00000   0.00010   0.00073   0.00083  -3.02002
   D478       3.12664   0.00001   0.00086  -0.00013   0.00073   3.12736
   D479       0.09224   0.00001   0.00040   0.00055   0.00095   0.09319
   D480      -0.27666  -0.00001   0.00003   0.00130   0.00133  -0.27533
   D481       1.83151   0.00001  -0.00005   0.00140   0.00135   1.83285
   D482      -2.36918   0.00000  -0.00008   0.00136   0.00127  -2.36791
   D483       2.76319   0.00000   0.00047   0.00066   0.00112   2.76431
   D484      -1.41182   0.00001   0.00038   0.00076   0.00114  -1.41069
   D485       0.67068   0.00000   0.00035   0.00072   0.00106   0.67174
   D486      -0.11334   0.00000   0.00006  -0.00114  -0.00108  -0.11442
   D487       1.98281   0.00001   0.00003  -0.00099  -0.00096   1.98185
   D488      -2.21614   0.00001   0.00003  -0.00099  -0.00096  -2.21710
   D489       3.12987  -0.00001  -0.00037  -0.00051  -0.00088   3.12899
   D490      -1.05717   0.00000  -0.00041  -0.00035  -0.00075  -1.05792
   D491       1.02706   0.00000  -0.00041  -0.00035  -0.00076   1.02631
         Item               Value     Threshold  Converged?
 Maximum Force            0.000045     0.000450     YES
 RMS     Force            0.000008     0.000300     YES
 Maximum Displacement     0.010606     0.001800     NO 
 RMS     Displacement     0.001224     0.001200     NO 
 Predicted change in Energy=-1.072136D-06
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:38:41 2016, MaxMem=  2952790016 cpu:         8.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.786447   -0.579136    1.630854
      2          6           0       -2.045002    1.122633   -1.396575
      3          8           0       -2.570942    0.136627   -1.941490
      4          7           0       -0.755884    1.194239   -0.965623
      5          1           0       -2.614844    2.049072   -1.182887
      6          6           0       -0.255199    2.360001   -0.236698
      7          1           0       -1.025246    3.143844   -0.220373
      8          1           0       -0.000752    2.074920    0.797016
      9          1           0        0.650652    2.748545   -0.729746
     10          6           0        0.180594    0.081529   -1.140148
     11          1           0        0.726637   -0.085513   -0.198428
     12          1           0       -0.377193   -0.826097   -1.405032
     13          1           0        0.909651    0.314273   -1.933737
     14          6           0       -2.082728   -3.939296    2.704584
     15          8           0       -2.235152   -3.739382    3.921628
     16          7           0       -2.988301   -3.637392    1.734710
     17          1           0       -1.151554   -4.376709    2.292471
     18          6           0       -4.277780   -3.017507    2.052506
     19          1           0       -4.502106   -2.252481    1.292858
     20          1           0       -5.083609   -3.770391    2.044387
     21          1           0       -4.222109   -2.549416    3.043491
     22          6           0       -2.706022   -3.877475    0.319065
     23          1           0       -3.416471   -4.612225   -0.094116
     24          1           0       -2.810927   -2.934982   -0.243760
     25          1           0       -1.680419   -4.255319    0.204921
     26          6           0        1.609560    0.357474    2.572515
     27          8           0        1.462557    1.384783    3.255861
     28          7           0        1.205562   -0.892513    2.928798
     29          1           0        2.088027    0.379207    1.573536
     30          6           0        1.482223   -2.058590    2.088362
     31          1           0        2.230578   -2.710531    2.569629
     32          1           0        0.557456   -2.640752    1.943732
     33          1           0        1.857371   -1.725836    1.110657
     34          6           0        0.558636   -1.140818    4.219681
     35          1           0        1.301171   -1.439514    4.979288
     36          1           0        0.046869   -0.228160    4.550434
     37          1           0       -0.173360   -1.952409    4.101712
     38          6           0       -4.604391    0.980065    2.901152
     39          8           0       -4.854620    1.535490    1.817456
     40          7           0       -3.549025    1.270001    3.710637
     41          1           0       -5.228633    0.154022    3.296667
     42          6           0       -2.581380    2.318039    3.372231
     43          1           0       -2.682657    2.583205    2.311928
     44          1           0       -2.749792    3.212153    3.994620
     45          1           0       -1.564193    1.942344    3.562828
     46          6           0       -3.245604    0.465846    4.895047
     47          1           0       -4.041857   -0.273684    5.056389
     48          1           0       -2.284579   -0.057879    4.751921
     49          1           0       -3.163995    1.115826    5.780934
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.482556   0.000000
     3  O    3.726847   1.243283   0.000000
     4  N    3.308869   1.361129   2.316311   0.000000
     5  H    3.938383   1.108455   2.057876   2.057589   0.000000
     6  C    3.804076   2.465723   3.634883   1.463222   2.561225
     7  H    4.226943   2.551205   3.794045   2.104498   2.156798
     8  H    3.305754   3.146053   4.226378   2.110146   3.279353
     9  H    4.752404   3.217888   4.320776   2.109466   3.370172
    10  C    3.461817   2.470411   2.866380   1.464778   3.418702
    11  H    3.147305   3.252255   3.736528   2.103384   4.085475
    12  H    3.356127   2.564997   2.455028   2.101962   3.650072
    13  H    4.557788   3.109978   3.485132   2.117922   3.999421
    14  C    3.539965   6.514910   6.199798   6.448575   7.159339
    15  O    3.928885   7.208234   7.036501   7.100287   7.726995
    16  N    3.287578   5.775171   5.285059   5.968261   6.402165
    17  H    3.906711   6.682072   6.349117   6.465849   7.450503
    18  C    3.511436   5.832857   5.367854   6.265115   6.237255
    19  H    3.207667   4.966065   4.460744   5.569093   5.309843
    20  H    4.607211   6.709325   6.120906   7.241334   7.097623
    21  H    3.436567   6.159377   5.898408   6.488657   6.449160
    22  C    3.666804   5.327424   4.608836   5.583525   6.114584
    23  H    4.679563   6.038703   5.165201   6.446183   6.797126
    24  H    3.180211   4.287174   3.517763   4.668485   5.075550
    25  H    3.944471   5.623173   4.968832   5.650011   6.522615
    26  C    3.646482   5.449309   6.156428   4.337501   5.900011
    27  O    4.129607   5.832397   6.696228   4.772705   6.063741
    28  N    3.276429   5.773720   6.248265   4.834079   6.336748
    29  H    3.991648   5.143556   5.841254   3.898645   5.701167
    30  C    3.616947   5.891204   6.122649   4.991678   6.660324
    31  H    4.643343   6.978861   7.177123   6.055096   7.759723
    32  H    3.137202   5.665113   5.709261   4.989626   6.467896
    33  H    3.855248   5.443207   5.691601   4.434736   6.285776
    34  C    3.537927   6.591242   7.027528   5.836765   7.030940
    35  H    4.635261   7.642846   8.085459   6.819831   8.091835
    36  H    3.465282   6.447285   7.009357   5.752783   6.718740
    37  H    3.254699   6.571917   6.828818   5.993214   7.063970
    38  C    3.462019   5.004124   5.319538   5.459746   4.666953
    39  O    3.730972   4.288870   4.615374   4.966046   3.779209
    40  N    3.294160   5.326108   5.847027   5.447457   5.042442
    41  H    3.893725   5.753280   5.873832   6.265353   5.521731
    42  C    3.472454   4.945524   5.744066   4.838630   4.563174
    43  H    3.356703   4.036443   4.908135   4.047718   3.536047
    44  H    4.570481   5.824758   6.687918   5.714162   5.308252
    45  H    3.184303   5.049632   5.879768   4.660461   4.861797
    46  C    3.725061   6.438736   6.877629   6.409112   6.312348
    47  H    4.112720   6.897672   7.162559   7.015487   6.808827
    48  H    3.203264   6.265382   6.702357   6.049382   6.306367
    49  H    4.689744   7.264216   7.806816   7.163880   7.047504
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098930   0.000000
     8  H    1.102079   1.796459   0.000000
     9  H    1.102102   1.795649   1.791396   0.000000
    10  C    2.489493   3.417281   2.785516   2.739043   0.000000
    11  H    2.635528   3.674006   2.487463   2.884433   1.101319
    12  H    3.395748   4.193306   3.661505   3.780283   1.097758
    13  H    2.902038   3.832220   3.374274   2.728068   1.102487
    14  C    7.188334   7.735923   6.644113   7.999575   6.005965
    15  O    7.642929   8.123967   6.968634   8.488601   6.786514
    16  N    6.879318   7.325373   6.514233   7.752142   5.668957
    17  H    7.251442   7.930262   6.721923   7.946760   5.782160
    18  C    7.095012   7.328520   6.767720   8.079463   6.298743
    19  H    6.453739   6.595358   6.263741   7.460033   5.770164
    20  H    8.130104   8.331032   7.845956   9.114498   7.258814
    21  H    7.113254   7.299722   6.652142   8.127085   6.618799
    22  C    6.724694   7.239815   6.555756   7.501427   5.112295
    23  H    7.656756   8.117297   7.561691   8.433650   6.005363
    24  H    5.879510   6.335718   5.837757   6.672420   4.341894
    25  H    6.781499   7.440278   6.576000   7.440537   4.907222
    26  C    3.921621   4.744078   2.948749   4.188275   3.987725
    27  O    4.012444   4.622517   2.943380   4.290000   4.760966
    28  N    4.767917   5.584438   3.847772   5.191355   4.307626
    29  H    3.562471   4.533629   2.800254   3.603459   3.330315
    30  C    5.286633   6.219563   4.577411   5.633985   4.086272
    31  H    6.305938   7.256597   5.569697   6.571419   5.075478
    32  H    5.515633   6.375723   4.885091   6.016700   4.130757
    33  H    4.792951   5.813338   4.242256   4.986315   3.338304
    34  C    5.725152   6.370328   4.729537   6.295429   5.510428
    35  H    6.638155   7.311351   5.615839   7.110279   6.404433
    36  H    5.450363   5.939734   4.403929   6.091439   5.700571
    37  H    6.117628   6.736313   5.212503   6.791240   5.633762
    38  C    5.537671   5.218825   5.178764   6.627701   6.327366
    39  O    5.104316   4.626409   4.989220   6.186094   6.017874
    40  N    5.255363   5.033249   4.661259   6.288115   6.233189
    41  H    6.487376   6.243162   6.104822   7.583505   6.996450
    42  C    4.293861   4.001288   3.653831   5.239998   5.743870
    43  H    3.526735   3.077966   3.121847   4.515536   5.135505
    44  H    4.985299   4.554655   4.367515   5.839313   6.689829
    45  H    4.040334   4.005830   3.179881   4.897110   5.350224
    46  C    6.234192   6.186209   5.469190   7.213170   6.950547
    47  H    7.020815   6.973067   6.323665   8.039457   7.506820
    48  H    5.903460   6.046541   5.040434   6.822043   6.388504
    49  H    6.798600   6.686015   5.980419   7.720509   7.756122
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795215   0.000000
    13  H    1.790145   1.798871   0.000000
    14  C    5.583158   5.430451   6.968587   0.000000
    15  O    6.252825   6.349217   7.785063   1.242737   0.000000
    16  N    5.491232   4.957746   6.653359   1.360832   2.315221
    17  H    5.305332   5.184401   6.641891   1.108265   2.057796
    18  C    6.221534   5.654328   7.341684   2.468431   2.861302
    19  H    5.853157   5.131091   6.803400   3.269818   3.776293
    20  H    7.236540   6.535879   8.272189   3.077283   3.411554
    21  H    6.408662   6.127199   7.701199   2.573631   2.476921
    22  C    5.141005   4.207953   5.976534   2.466378   3.635829
    23  H    6.137373   5.028964   6.809546   3.172448   4.275929
    24  H    4.542674   3.423304   5.220764   3.198695   4.281242
    25  H    4.831552   4.006234   5.671286   2.551478   3.793130
    26  C    2.941753   4.600967   4.560487   5.666804   5.778075
    27  O    3.825632   5.476914   5.327629   6.420184   6.354004
    28  N    3.264990   4.614283   5.018779   4.488431   4.574811
    29  H    2.282368   4.049930   3.700507   6.109331   6.416088
    30  C    3.113415   4.144908   4.704848   4.077458   4.472673
    31  H    4.100573   5.113657   5.583421   4.486946   4.777989
    32  H    3.338670   3.921831   4.887840   3.039027   3.594124
    33  H    2.383888   3.483030   3.785308   4.792117   5.357674
    34  C    4.545501   5.710711   6.332855   4.135675   3.827091
    35  H    5.382578   6.629685   7.142756   4.782673   4.348979
    36  H    4.799388   6.000411   6.563772   4.659923   4.234584
    37  H    4.773521   5.624442   6.537385   3.089558   2.734353
    38  C    6.258013   6.298782   7.363701   5.531505   5.378462
    39  O    6.151575   6.000740   6.984958   6.200296   6.254073
    40  N    5.949748   6.373713   7.256182   5.504448   5.183117
    41  H    6.909292   6.826644   8.066061   5.196396   4.950767
    42  C    5.428596   6.129133   6.660006   6.312579   6.092132
    43  H    5.004721   5.545655   6.006530   6.561792   6.539610
    44  H    6.367245   7.147932   7.545505   7.297424   6.970942
    45  H    4.848418   5.809722   6.243617   5.966502   5.732446
    46  C    6.482761   7.041867   7.995087   5.055264   4.433115
    47  H    7.098384   7.448818   8.586326   4.775551   4.069758
    48  H    5.794320   6.491252   7.418870   4.392918   3.774294
    49  H    7.234156   7.948298   8.760892   6.015591   5.281365
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057019   0.000000
    18  C    1.465608   3.417353   0.000000
    19  H    2.098766   4.091182   1.101205   0.000000
    20  H    2.122240   3.986254   1.102842   1.790808   0.000000
    21  H    2.102113   3.651210   1.097388   1.797578   1.797546
    22  C    1.463343   2.561238   2.492948   2.610517   2.939578
    23  H    2.116184   3.298653   2.809442   2.944605   2.839230
    24  H    2.106937   3.356272   2.726042   2.384762   3.331457
    25  H    2.105385   2.156919   3.419362   3.627243   3.898781
    26  C    6.148268   5.487684   6.806003   6.767706   7.881415
    27  O    6.880863   6.399726   7.333463   7.256740   8.419963
    28  N    5.152543   4.254473   5.945631   6.091247   6.972664
    29  H    6.475194   5.799180   7.231222   7.101719   8.298989
    30  C    4.754290   3.514559   5.839387   6.040084   6.785451
    31  H    5.365898   3.780448   6.536082   6.867968   7.409218
    32  H    3.689089   2.460871   4.851112   5.116011   5.753941
    33  H    5.246334   4.180603   6.339997   6.383847   7.295838
    34  C    4.998873   4.136409   5.622236   5.950899   6.594050
    35  H    5.810122   4.675678   6.494675   6.923056   7.403516
    36  H    5.363154   4.872892   5.720375   5.950029   6.719336
    37  H    4.045461   3.179221   4.709558   5.168921   5.625672
    38  C    5.029239   6.402157   4.099690   3.611984   4.850828
    39  O    5.499882   6.992313   4.595408   3.840337   5.315666
    40  N    5.319888   6.296380   4.654375   4.377430   5.526019
    41  H    4.672645   6.177257   3.537040   3.214707   4.121923
    42  C    6.189848   6.930364   5.752174   5.376117   6.715155
    43  H    6.254792   7.126364   5.829210   5.266190   6.797377
    44  H    7.216672   7.939931   6.701882   6.342897   7.616169
    45  H    6.041817   6.458677   5.851901   5.601844   6.879483
    46  C    5.185605   5.882924   4.612936   4.684428   5.426807
    47  H    4.843352   5.729564   4.075235   4.276871   4.731212
    48  H    4.734099   5.097542   4.474270   4.658199   5.380339
    49  H    6.244668   6.810818   5.676807   5.768783   6.443743
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388917   0.000000
    23  H    3.840419   1.102413   0.000000
    24  H    3.598071   1.102755   1.789476   0.000000
    25  H    4.174659   1.098934   1.797410   1.795174   0.000000
    26  C    6.533008   6.452680   7.554457   6.189699   6.140629
    27  O    6.916534   7.327563   8.425637   7.012159   7.141238
    28  N    5.676099   5.569668   6.658638   5.510806   5.201621
    29  H    7.110232   6.532683   7.615442   6.187581   6.128060
    30  C    5.804531   4.896954   5.939820   4.963667   4.286639
    31  H    6.472068   5.549488   6.526955   5.777742   4.824325
    32  H    4.905309   3.849587   4.881765   4.027120   3.261653
    33  H    6.432278   5.106929   6.131568   5.008940   4.442364
    34  C    5.120849   5.775993   6.816230   5.873268   5.552638
    35  H    5.956997   6.612029   7.619821   6.813662   6.293903
    36  H    5.087561   6.228997   7.265439   6.203078   6.171306
    37  H    4.227128   4.942537   5.932736   5.177386   4.770702
    38  C    3.552976   5.819509   6.454185   5.332409   6.574841
    39  O    4.311577   6.013472   6.596726   5.330142   6.797742
    40  N    3.935235   6.221731   7.006733   5.819272   6.805211
    41  H    2.895818   5.610940   6.123598   5.284115   6.449109
    42  C    5.147056   6.908094   7.793684   6.381404   7.352049
    43  H    5.408225   6.761097   7.622450   6.082629   7.225605
    44  H    6.022296   7.985891   8.853425   7.466918   8.442068
    45  H    5.245010   6.759887   7.730883   6.311320   7.049828
    46  C    3.670644   6.332078   7.120938   6.177533   6.836409
    47  H    3.043551   6.100329   6.763265   6.057167   6.705711
    48  H    3.588943   5.866613   6.745912   5.788919   6.217614
    49  H    4.695444   7.414501   8.209174   7.268469   7.883028
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242552   0.000000
    28  N    1.361110   2.314971   0.000000
    29  H    1.107863   2.057331   2.057364   0.000000
    30  C    2.467385   3.635967   1.463766   2.564156   0.000000
    31  H    3.130228   4.222838   2.117746   3.249462   1.103032
    32  H    3.239081   4.329644   2.108728   3.405854   1.102281
    33  H    2.557072   3.799174   2.103549   2.167640   1.098802
    34  C    2.462210   2.850382   1.465110   3.413443   2.497567
    35  H    3.019408   3.312536   2.124349   3.940308   2.962008
    36  H    2.587883   2.506327   2.100866   3.660210   3.387110
    37  H    3.294360   3.811632   2.097745   4.116063   2.608795
    38  C    6.253704   6.090770   6.104333   6.849237   6.851345
    39  O    6.613884   6.480621   6.622393   7.042502   7.290157
    40  N    5.360880   5.033483   5.281462   6.094019   6.246980
    41  H    6.879438   6.803563   6.529122   7.520199   7.168769
    42  C    4.695460   4.151860   4.984497   5.366352   6.108689
    43  H    4.841994   4.417015   5.251608   5.306811   6.240390
    44  H    5.401437   4.650691   5.799059   6.106694   7.023141
    45  H    3.683102   3.092947   4.013720   4.442903   5.240436
    46  C    5.383170   5.069335   5.052144   6.283913   6.050009
    47  H    6.205362   6.024201   5.696052   7.080396   6.520011
    48  H    4.481813   4.284915   4.025106   5.423362   5.028537
    49  H    5.801369   5.277624   5.591166   6.769678   6.730479
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787722   0.000000
    33  H    1.799307   1.794676   0.000000
    34  C    2.825253   2.725756   3.419793   0.000000
    35  H    2.878495   3.348235   3.918882   1.103440   0.000000
    36  H    3.854132   3.588341   4.165695   1.097382   1.795708
    37  H    2.949736   2.380081   3.622376   1.099280   1.790934
    38  C    7.774780   6.377432   7.230639   5.735287   6.711831
    39  O    8.294244   6.837215   7.495775   6.498973   7.532702
    40  N    7.109876   5.939624   6.705524   4.789996   5.698715
    41  H    8.023345   6.566584   7.650095   6.001754   6.928846
    42  C    7.006113   6.040076   6.416397   4.747796   5.637024
    43  H    7.227027   6.158216   6.373597   5.292811   6.258431
    44  H    7.868473   7.028551   7.343495   5.472176   6.246429
    45  H    6.085718   5.303549   5.583528   3.800493   4.653346
    46  C    6.744294   5.729265   6.720523   4.184464   4.930584
    47  H    7.173955   6.036997   7.244200   4.755686   5.469283
    48  H    5.673235   4.757554   5.761651   3.088674   3.849443
    49  H    7.352204   6.533391   7.422981   4.624710   5.206737
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795240   0.000000
    38  C    5.080764   5.447457   0.000000
    39  O    5.882536   6.268769   1.243185   0.000000
    40  N    3.984997   4.683159   1.361296   2.314994   0.000000
    41  H    5.435891   5.535425   1.108358   2.058253   2.058607
    42  C    3.844345   4.956555   2.470762   2.863098   1.466029
    43  H    4.512758   5.483766   2.571051   2.461633   2.105110
    44  H    4.468333   5.772536   3.101198   3.461437   2.119287
    45  H    2.877841   4.170601   3.256778   3.746834   2.100822
    46  C    3.382423   3.989489   2.467051   3.633818   1.463405
    47  H    4.120163   4.323748   2.556048   3.797945   2.106394
    48  H    2.346325   2.910199   3.143916   4.213671   2.108640
    49  H    3.691893   4.601929   3.222781   4.329375   2.111433
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420034   0.000000
    43  H    3.654126   1.097639   0.000000
    44  H    3.997995   1.102347   1.797647   0.000000
    45  H    4.086204   1.100975   1.796222   1.790113   0.000000
    46  C    2.566020   2.488128   3.387125   2.932371   2.604226
    47  H    2.165177   3.418540   4.188235   3.866245   3.644218
    48  H    3.290915   2.763445   3.617645   3.388664   2.435937
    49  H    3.370369   2.754380   3.797221   2.785152   2.857008
                   46         47         48         49
    46  C    0.000000
    47  H    1.098616   0.000000
    48  H    1.103786   1.796469   0.000000
    49  H    1.101785   1.796203   1.791599   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2169059      0.1956356      0.1841407
 Leave Link  202 at Mon Nov 14 05:38:41 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.7533658804 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854351637 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.5679307167 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4044
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.81D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     228
 GePol: Fraction of low-weight points (<1% of avg)   =       5.64%
 GePol: Cavity surface area                          =    468.305 Ang**2
 GePol: Cavity volume                                =    458.544 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040352919 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.5638954248 Hartrees.
 Leave Link  301 at Mon Nov 14 05:38:41 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11995 LenP2D=   37525.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:38:42 2016, MaxMem=  2952790016 cpu:        13.7
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:38:42 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000671   -0.000602   -0.000320
         Rot=    1.000000    0.000027    0.000014   -0.000005 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:38:43 2016, MaxMem=  2952790016 cpu:         6.7
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49061808.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.33D-15 for   1880.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.10D-15 for   2130   1114.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   2764.
 Iteration    1 A^-1*A deviation from orthogonality  is 5.23D-10 for   1800   1380.
 Iteration    2 A*A^-1 deviation from unit magnitude is 8.99D-15 for    136.
 Iteration    2 A*A^-1 deviation from orthogonality  is 9.63D-15 for   2185    781.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.55D-15 for    577.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.05D-16 for   1803   1799.
 E= -1013.45145744375    
 DIIS: error= 8.79D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45145744375     IErMin= 1 ErrMin= 8.79D-05
 ErrMax= 8.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-05 BMatP= 1.06D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.69D-05 MaxDP=5.31D-04              OVMax= 7.97D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.69D-05    CP:  1.00D+00
 E= -1013.45147379274     Delta-E=       -0.000016348987 Rises=F Damp=F
 DIIS: error= 2.39D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147379274     IErMin= 2 ErrMin= 2.39D-05
 ErrMax= 2.39D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-07 BMatP= 1.06D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.473D-01 0.953D+00
 Coeff:      0.473D-01 0.953D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.59D-06 MaxDP=4.72D-04 DE=-1.63D-05 OVMax= 7.20D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.45D-06    CP:  1.00D+00  9.28D-01
 E= -1013.45147192361     Delta-E=        0.000001869132 Rises=F Damp=F
 DIIS: error= 6.62D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147379274     IErMin= 2 ErrMin= 2.39D-05
 ErrMax= 6.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-06 BMatP= 4.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.346D-02 0.722D+00 0.274D+00
 Coeff:      0.346D-02 0.722D+00 0.274D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.20D-06 MaxDP=3.76D-04 DE= 1.87D-06 OVMax= 5.83D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.22D-06    CP:  1.00D+00  9.60D-01  2.72D-01
 E= -1013.45147412642     Delta-E=       -0.000002202818 Rises=F Damp=F
 DIIS: error= 6.16D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147412642     IErMin= 4 ErrMin= 6.16D-06
 ErrMax= 6.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-08 BMatP= 4.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-04 0.265D+00 0.135D+00 0.600D+00
 Coeff:      0.127D-04 0.265D+00 0.135D+00 0.600D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.72D-07 MaxDP=3.00D-05 DE=-2.20D-06 OVMax= 5.49D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.15D-07    CP:  1.00D+00  9.66D-01  2.95D-01  6.30D-01
 E= -1013.45147414524     Delta-E=       -0.000000018813 Rises=F Damp=F
 DIIS: error= 3.43D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147414524     IErMin= 5 ErrMin= 3.43D-06
 ErrMax= 3.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-09 BMatP= 2.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.420D-07 0.143D+00 0.769D-01 0.393D+00 0.387D+00
 Coeff:      0.420D-07 0.143D+00 0.769D-01 0.393D+00 0.387D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.52D-07 MaxDP=7.76D-06 DE=-1.88D-08 OVMax= 9.73D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.05D-07    CP:  1.00D+00  9.66D-01  2.94D-01  6.45D-01  6.61D-01
 E= -1013.45147414845     Delta-E=       -0.000000003217 Rises=F Damp=F
 DIIS: error= 2.79D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147414845     IErMin= 6 ErrMin= 2.79D-07
 ErrMax= 2.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.82D-11 BMatP= 3.86D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.198D-04 0.456D-01 0.250D-01 0.134D+00 0.166D+00 0.630D+00
 Coeff:     -0.198D-04 0.456D-01 0.250D-01 0.134D+00 0.166D+00 0.630D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.59D-08 MaxDP=1.04D-06 DE=-3.22D-09 OVMax= 1.65D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.26D-08    CP:  1.00D+00  9.66D-01  2.94D-01  6.49D-01  6.57D-01
                    CP:  8.97D-01
 E= -1013.45147414858     Delta-E=       -0.000000000123 Rises=F Damp=F
 DIIS: error= 9.12D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45147414858     IErMin= 7 ErrMin= 9.12D-08
 ErrMax= 9.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-11 BMatP= 4.82D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-04 0.112D-01 0.634D-02 0.356D-01 0.536D-01 0.360D+00
 Coeff-Com:  0.533D+00
 Coeff:     -0.154D-04 0.112D-01 0.634D-02 0.356D-01 0.536D-01 0.360D+00
 Coeff:      0.533D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=9.11D-09 MaxDP=4.66D-07 DE=-1.23D-10 OVMax= 4.98D-07

 Error on total polarization charges =  0.04309
 SCF Done:  E(RB97D) =  -1013.45147415     A.U. after    7 cycles
            NFock=  7  Conv=0.91D-08     -V/T= 2.0213
 KE= 9.923522797734D+02 PE=-6.034656505160D+03 EE= 2.177288855813D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:40:16 2016, MaxMem=  2952790016 cpu:      1058.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11995 LenP2D=   37525.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     367
 Leave Link  701 at Mon Nov 14 05:40:24 2016, MaxMem=  2952790016 cpu:        96.6
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:40:25 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:41:01 2016, MaxMem=  2952790016 cpu:       441.5
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.20734110D+00-2.51108680D+00 3.30622070D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000192639    0.000107407    0.000028409
      2        6           0.000013763   -0.000021381    0.000028999
      3        8           0.000003698    0.000030057   -0.000013971
      4        7          -0.000029165    0.000016966   -0.000046897
      5        1          -0.000000319    0.000028987    0.000020958
      6        6           0.000047239    0.000005655    0.000006853
      7        1           0.000006459    0.000011398    0.000040622
      8        1          -0.000037793   -0.000014732    0.000057552
      9        1          -0.000002737    0.000030287    0.000027500
     10        6          -0.000015089   -0.000002093   -0.000007323
     11        1           0.000004148    0.000010429    0.000012119
     12        1           0.000001627    0.000016750   -0.000000855
     13        1          -0.000002334    0.000021313    0.000005695
     14        6          -0.000043291   -0.000020152   -0.000106288
     15        8           0.000007053   -0.000005462   -0.000005546
     16        7           0.000012926   -0.000022353   -0.000030678
     17        1          -0.000000826    0.000004296   -0.000023309
     18        6          -0.000046843    0.000014675   -0.000023749
     19        1          -0.000006591    0.000007084   -0.000033783
     20        1          -0.000006853    0.000008583   -0.000025195
     21        1          -0.000003937   -0.000008359   -0.000014463
     22        6          -0.000035735    0.000022463   -0.000037837
     23        1          -0.000018117    0.000024523   -0.000028821
     24        1          -0.000045617    0.000016033   -0.000000316
     25        1          -0.000020353   -0.000001725   -0.000030795
     26        6           0.000006311    0.000013184    0.000003234
     27        8           0.000004520   -0.000025255    0.000023580
     28        7           0.000029071    0.000001312    0.000000466
     29        1          -0.000017927   -0.000022995   -0.000003100
     30        6          -0.000017265   -0.000001952    0.000012547
     31        1           0.000002596   -0.000016770   -0.000026000
     32        1           0.000007073   -0.000007512    0.000019794
     33        1          -0.000020528   -0.000006921   -0.000017383
     34        6          -0.000010867   -0.000044976    0.000001178
     35        1          -0.000003770   -0.000034080   -0.000008800
     36        1           0.000008881   -0.000011152    0.000010269
     37        1          -0.000006484   -0.000006406   -0.000028080
     38        6           0.000004501   -0.000036987    0.000090560
     39        8          -0.000013711    0.000016029   -0.000003126
     40        7           0.000022101   -0.000013334   -0.000006770
     41        1          -0.000011349    0.000004730   -0.000011122
     42        6          -0.000106775   -0.000038939    0.000103159
     43        1           0.000004640   -0.000011825    0.000018183
     44        1           0.000082397    0.000029990   -0.000016205
     45        1           0.000037894   -0.000015102    0.000022491
     46        6           0.000005259    0.000000531   -0.000035416
     47        1           0.000002721   -0.000016878   -0.000002928
     48        1           0.000008743   -0.000017627    0.000045212
     49        1           0.000008018   -0.000017718    0.000009376
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000192639 RMS     0.000032854
 Leave Link  716 at Mon Nov 14 05:41:02 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000032612 RMS     0.000005685
 Search for a local minimum.
 Step number 126 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .56855D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    116  117  118  119  120
                                                    121  122  123  124  125
                                                    126
 DE= -1.50D-06 DEPred=-1.07D-06 R= 1.40D+00
 TightC=F SS=  1.41D+00  RLast= 5.19D-02 DXNew= 4.7664D-01 1.5575D-01
 Trust test= 1.40D+00 RLast= 5.19D-02 DXMaxT set to 2.83D-01
 ITU=  1  1  1  1  1  1 -1  1 -1  0 -1  1  1  1  0 -1  0  0 -1  1
 ITU=  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0  1
 ITU=  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0 -1
 ITU=  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00002   0.00029   0.00078   0.00081   0.00091
     Eigenvalues ---    0.00107   0.00137   0.00177   0.00182   0.00223
     Eigenvalues ---    0.00233   0.00274   0.00345   0.00355   0.00437
     Eigenvalues ---    0.00505   0.00604   0.00681   0.00727   0.00831
     Eigenvalues ---    0.00846   0.00864   0.00955   0.00977   0.01045
     Eigenvalues ---    0.01114   0.01188   0.01229   0.01345   0.01445
     Eigenvalues ---    0.01477   0.01592   0.01682   0.01751   0.01779
     Eigenvalues ---    0.01803   0.01831   0.01887   0.01927   0.02033
     Eigenvalues ---    0.02117   0.02233   0.02268   0.02381   0.02469
     Eigenvalues ---    0.02532   0.02633   0.02857   0.03078   0.03219
     Eigenvalues ---    0.03345   0.03941   0.04454   0.04618   0.05141
     Eigenvalues ---    0.05592   0.05918   0.06011   0.06264   0.06296
     Eigenvalues ---    0.06493   0.06534   0.06872   0.07028   0.07194
     Eigenvalues ---    0.07357   0.07628   0.07679   0.07844   0.08125
     Eigenvalues ---    0.08317   0.08495   0.08611   0.08836   0.09024
     Eigenvalues ---    0.09225   0.09368   0.09460   0.09585   0.09738
     Eigenvalues ---    0.09971   0.10153   0.10435   0.10594   0.10766
     Eigenvalues ---    0.10928   0.11139   0.11264   0.11424   0.12922
     Eigenvalues ---    0.13265   0.14111   0.14373   0.14890   0.15177
     Eigenvalues ---    0.15368   0.15538   0.20846   0.22351   0.23086
     Eigenvalues ---    0.23281   0.24597   0.24816   0.25252   0.25895
     Eigenvalues ---    0.26968   0.27388   0.28148   0.28591   0.29398
     Eigenvalues ---    0.29706   0.30608   0.32782   0.32814   0.32857
     Eigenvalues ---    0.32945   0.33234   0.33302   0.33365   0.33373
     Eigenvalues ---    0.33391   0.33422   0.33458   0.33512   0.33734
     Eigenvalues ---    0.33813   0.33823   0.33837   0.33956   0.33982
     Eigenvalues ---    0.34088   0.34236   0.34278   0.35967   0.37038
     Eigenvalues ---    0.39608   0.40874   0.86143   0.86322   0.86981
     Eigenvalues ---    0.89841
 Eigenvalue     1 is   1.68D-05 Eigenvector:
                         D399      D397      D407      D405      D403
   1                   -0.22764  -0.22441  -0.22424  -0.22222  -0.22136
                         D395      D401      D393      D381      D389
   1                   -0.22122  -0.22006  -0.21978  -0.21906  -0.21896
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   126  125  124  123  122
 RFO step:  Lambda=-1.50871828D-07.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  4.43D-06 SmlDif=  1.00D-05
 RMS Error=  0.4310094264D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.82667   -0.60643   -0.49646    0.14497    0.13125
 Iteration  1 RMS(Cart)=  0.00114891 RMS(Int)=  0.00000243
 Iteration  2 RMS(Cart)=  0.00000108 RMS(Int)=  0.00000150
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000150
 ITry= 1 IFail=0 DXMaxC= 1.05D-02 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58108   0.00000  -0.00101   0.00023  -0.00078   6.58030
    R2        6.25286   0.00000   0.00118  -0.00078   0.00040   6.25326
    R3        7.18866  -0.00001  -0.00129  -0.00376  -0.00505   7.18361
    R4        6.24697  -0.00003  -0.00350  -0.00571  -0.00922   6.23775
    R5        6.54189   0.00000   0.00114   0.00011   0.00126   6.54315
    R6        5.94755   0.00000  -0.00070  -0.00066  -0.00136   5.94619
    R7        6.68956   0.00000  -0.00111   0.00020  -0.00091   6.68865
    R8        6.21262   0.00001   0.00152   0.00045   0.00197   6.21459
    R9        6.63565   0.00001   0.00133   0.00044   0.00177   6.63742
   R10        6.06161   0.00001   0.00039   0.00096   0.00136   6.06297
   R11        6.92926   0.00002   0.00176   0.00094   0.00271   6.93196
   R12        6.00973   0.00001   0.00101   0.00077   0.00178   6.01151
   R13        6.89085  -0.00001  -0.00010   0.00014   0.00004   6.89089
   R14        6.19155   0.00000   0.00089   0.00026   0.00116   6.19271
   R15        6.83504  -0.00001   0.00013   0.00013   0.00027   6.83531
   R16        5.92845   0.00000  -0.00069   0.00004  -0.00066   5.92780
   R17        6.68571   0.00001   0.00072   0.00008   0.00080   6.68651
   R18        6.54227   0.00002  -0.00032   0.00131   0.00099   6.54326
   R19        6.22506   0.00000  -0.00012   0.00027   0.00015   6.22521
   R20        6.56199   0.00001  -0.00130  -0.00009  -0.00140   6.56059
   R21        6.01746   0.00000  -0.00005  -0.00185  -0.00189   6.01556
   R22        7.03935  -0.00002   0.00287   0.00055   0.00343   7.04277
   R23        6.05329   0.00002   0.00464   0.00082   0.00546   6.05875
   R24        2.34947   0.00001  -0.00002  -0.00002  -0.00004   2.34943
   R25        2.57216  -0.00001   0.00009   0.00001   0.00010   2.57226
   R26        2.09468   0.00001  -0.00001   0.00001   0.00000   2.09468
   R27        2.76509   0.00003   0.00017   0.00002   0.00020   2.76529
   R28        2.76803   0.00000   0.00006  -0.00001   0.00005   2.76808
   R29        2.07668   0.00000   0.00001   0.00001   0.00002   2.07670
   R30        2.08263   0.00001  -0.00001   0.00003   0.00002   2.08265
   R31        2.08267   0.00000  -0.00008  -0.00001  -0.00009   2.08258
   R32        2.08119   0.00001   0.00001   0.00002   0.00002   2.08121
   R33        2.07446   0.00000   0.00000   0.00000   0.00000   2.07446
   R34        2.08340   0.00000  -0.00003   0.00000  -0.00003   2.08337
   R35        2.34843   0.00002   0.00003   0.00002   0.00004   2.34848
   R36        2.57160  -0.00001  -0.00019   0.00002  -0.00017   2.57143
   R37        2.09432   0.00000   0.00000   0.00001   0.00000   2.09432
   R38        2.76960   0.00002   0.00014  -0.00002   0.00012   2.76972
   R39        2.76532  -0.00001  -0.00011   0.00003  -0.00009   2.76523
   R40        2.08098   0.00000   0.00005  -0.00001   0.00003   2.08101
   R41        2.08407   0.00000  -0.00001   0.00000   0.00000   2.08406
   R42        2.07376   0.00000  -0.00002  -0.00001  -0.00003   2.07373
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08391  -0.00001  -0.00010   0.00000  -0.00011   2.08380
   R45        2.07669   0.00000   0.00000   0.00000   0.00000   2.07668
   R46        2.34808   0.00000  -0.00001   0.00001  -0.00001   2.34807
   R47        2.57212  -0.00001   0.00001   0.00000   0.00002   2.57214
   R48        2.09356   0.00000   0.00000  -0.00001  -0.00001   2.09355
   R49        2.76612   0.00000  -0.00006  -0.00004  -0.00010   2.76602
   R50        2.76866   0.00000  -0.00002   0.00000  -0.00001   2.76864
   R51        2.08443   0.00000   0.00000   0.00001   0.00001   2.08444
   R52        2.08301  -0.00001   0.00017  -0.00006   0.00011   2.08312
   R53        2.07644   0.00000  -0.00001   0.00001   0.00000   2.07644
   R54        2.08520   0.00000  -0.00001   0.00000  -0.00001   2.08519
   R55        2.07375   0.00001   0.00000   0.00000   0.00001   2.07376
   R56        2.07734  -0.00001   0.00003  -0.00002   0.00001   2.07735
   R57        2.34928   0.00002  -0.00009   0.00004  -0.00004   2.34924
   R58        2.57248   0.00000   0.00002   0.00002   0.00004   2.57252
   R59        2.09449   0.00000   0.00003  -0.00003   0.00000   2.09449
   R60        2.77039   0.00000  -0.00003   0.00007   0.00004   2.77043
   R61        2.76543  -0.00002   0.00001  -0.00006  -0.00004   2.76539
   R62        2.07424   0.00000   0.00000  -0.00001  -0.00001   2.07422
   R63        2.08313   0.00000   0.00004  -0.00003   0.00001   2.08315
   R64        2.08054   0.00002   0.00006   0.00011   0.00017   2.08072
   R65        2.07608   0.00000   0.00001  -0.00002  -0.00001   2.07607
   R66        2.08585   0.00000  -0.00008   0.00003  -0.00006   2.08579
   R67        2.08207   0.00000  -0.00001   0.00003   0.00002   2.08209
    A1        0.68497   0.00001   0.00011   0.00026   0.00037   0.68533
    A2        0.96247   0.00001   0.00003   0.00031   0.00034   0.96282
    A3        0.72739   0.00000   0.00004  -0.00003   0.00000   0.72740
    A4        1.02087   0.00000   0.00000   0.00003   0.00003   1.02090
    A5        2.37647  -0.00001  -0.00046  -0.00039  -0.00085   2.37562
    A6        2.04305  -0.00001  -0.00050  -0.00030  -0.00080   2.04224
    A7        1.97256  -0.00001  -0.00049  -0.00014  -0.00063   1.97192
    A8        1.67143  -0.00001  -0.00039  -0.00012  -0.00052   1.67091
    A9        1.68096  -0.00001  -0.00041  -0.00031  -0.00072   1.68024
   A10        1.39554  -0.00001  -0.00029  -0.00027  -0.00055   1.39499
   A11        1.73972   0.00000   0.00018   0.00007   0.00026   1.73998
   A12        2.04756   0.00000   0.00017  -0.00003   0.00014   2.04770
   A13        1.95728   0.00000   0.00003  -0.00018  -0.00016   1.95712
   A14        2.05250   0.00000  -0.00021  -0.00027  -0.00048   2.05202
   A15        2.43858   0.00000   0.00018   0.00005   0.00023   2.43881
   A16        1.60927   0.00001   0.00051   0.00100   0.00151   1.61078
   A17        1.80783   0.00000   0.00038   0.00090   0.00128   1.80911
   A18        1.58205   0.00001   0.00018   0.00069   0.00087   1.58292
   A19        1.71699   0.00001   0.00026   0.00031   0.00057   1.71756
   A20        2.20880   0.00000   0.00015   0.00084   0.00099   2.20979
   A21        2.42789   0.00001   0.00005   0.00075   0.00079   2.42868
   A22        0.64937   0.00001   0.00012   0.00038   0.00051   0.64988
   A23        0.66188   0.00000  -0.00005   0.00010   0.00005   0.66194
   A24        2.45404  -0.00001   0.00011  -0.00020  -0.00008   2.45396
   A25        2.26167  -0.00001  -0.00003  -0.00013  -0.00016   2.26151
   A26        2.32865  -0.00001  -0.00024  -0.00007  -0.00030   2.32835
   A27        2.04945  -0.00001  -0.00021  -0.00007  -0.00027   2.04918
   A28        1.85404  -0.00001   0.00011  -0.00008   0.00003   1.85407
   A29        1.60560   0.00000   0.00015  -0.00006   0.00009   1.60569
   A30        1.34377   0.00000   0.00006   0.00003   0.00010   1.34387
   A31        1.64857   0.00000   0.00015   0.00000   0.00015   1.64873
   A32        1.60782   0.00000   0.00021  -0.00004   0.00017   1.60798
   A33        1.76987   0.00000   0.00010  -0.00007   0.00003   1.76990
   A34        2.04074   0.00000   0.00007   0.00001   0.00008   2.04082
   A35        1.87555   0.00001   0.00036   0.00078   0.00115   1.87670
   A36        1.94038   0.00000   0.00012   0.00060   0.00072   1.94110
   A37        1.58846   0.00000  -0.00007   0.00043   0.00036   1.58881
   A38        1.60077   0.00000  -0.00003   0.00002  -0.00001   1.60076
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   A41        0.69330   0.00000   0.00009   0.00028   0.00037   0.69367
   A42        0.75549   0.00000   0.00015   0.00037   0.00052   0.75601
   A43        2.72875   0.00000   0.00079   0.00018   0.00097   2.72971
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   A45        2.64890   0.00000  -0.00057   0.00003  -0.00054   2.64836
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   A49        1.10789   0.00000   0.00047   0.00008   0.00055   1.10843
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   A52        1.82963   0.00000   0.00069   0.00022   0.00091   1.83054
   A53        1.78757   0.00000   0.00035   0.00001   0.00037   1.78794
   A54        1.73129   0.00000  -0.00009   0.00031   0.00022   1.73151
   A55        1.66255   0.00000  -0.00030   0.00012  -0.00018   1.66237
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   A57        1.22171   0.00000  -0.00029  -0.00033  -0.00063   1.22108
   A58        1.95102   0.00000  -0.00054  -0.00008  -0.00062   1.95040
   A59        1.99897   0.00000  -0.00055  -0.00019  -0.00074   1.99822
   A60        0.84723   0.00001   0.00017   0.00046   0.00063   0.84787
   A61        0.78999   0.00000   0.00035   0.00062   0.00097   0.79096
   A62        2.65472   0.00000   0.00124   0.00034   0.00159   2.65631
   A63        2.83148   0.00000   0.00100   0.00052   0.00151   2.83300
   A64        2.58597   0.00000  -0.00089  -0.00009  -0.00098   2.58499
   A65        2.44559   0.00001   0.00084   0.00053   0.00137   2.44696
   A66        2.23963   0.00001   0.00054   0.00043   0.00098   2.24061
   A67        0.87088   0.00000   0.00084   0.00023   0.00107   0.87195
   A68        1.24868   0.00000   0.00092   0.00025   0.00117   1.24985
   A69        1.44258   0.00000   0.00116   0.00043   0.00158   1.44417
   A70        1.72053   0.00000   0.00113   0.00045   0.00158   1.72211
   A71        1.52476   0.00000   0.00056   0.00006   0.00061   1.52537
   A72        1.74228   0.00000  -0.00050  -0.00014  -0.00064   1.74164
   A73        1.56840   0.00000  -0.00065  -0.00029  -0.00094   1.56746
   A74        1.13769   0.00000  -0.00072  -0.00033  -0.00105   1.13664
   A75        1.02347   0.00000  -0.00055  -0.00061  -0.00117   1.02230
   A76        1.77971  -0.00001  -0.00078  -0.00046  -0.00124   1.77848
   A77        1.77126   0.00000  -0.00068  -0.00048  -0.00117   1.77009
   A78        2.06178  -0.00001   0.00045  -0.00013   0.00032   2.06210
   A79        1.99384  -0.00001   0.00055  -0.00001   0.00054   1.99438
   A80        2.25465  -0.00001   0.00046   0.00005   0.00051   2.25516
   A81        2.09009  -0.00001   0.00043   0.00004   0.00047   2.09056
   A82        1.59861   0.00000   0.00071   0.00008   0.00079   1.59939
   A83        1.42284   0.00000   0.00074   0.00010   0.00083   1.42368
   A84        1.19018   0.00000  -0.00052  -0.00017  -0.00069   1.18949
   A85        1.38621   0.00000  -0.00029  -0.00019  -0.00047   1.38574
   A86        1.23005   0.00000  -0.00003  -0.00016  -0.00019   1.22986
   A87        1.34971   0.00000   0.00002  -0.00013  -0.00011   1.34960
   A88        1.81252   0.00000  -0.00035  -0.00019  -0.00054   1.81198
   A89        2.30535   0.00001   0.00035   0.00083   0.00119   2.30654
   A90        2.34937   0.00000  -0.00012   0.00047   0.00035   2.34973
   A91        1.95224   0.00000  -0.00035   0.00029  -0.00006   1.95218
   A92        1.87011   0.00000  -0.00042  -0.00017  -0.00059   1.86953
   A93        2.62692   0.00000  -0.00061   0.00001  -0.00059   2.62633
   A94        2.56296   0.00000  -0.00073  -0.00039  -0.00112   2.56184
   A95        1.97360   0.00000   0.00066  -0.00019   0.00047   1.97407
   A96        2.04448   0.00000   0.00078  -0.00009   0.00069   2.04517
   A97        2.41167   0.00000   0.00067  -0.00006   0.00061   2.41228
   A98        2.34142   0.00000   0.00055  -0.00006   0.00049   2.34191
   A99        1.70459   0.00000   0.00092   0.00003   0.00095   1.70554
   A100       1.60160   0.00001   0.00086   0.00003   0.00089   1.60249
   A101       0.88430   0.00000  -0.00053  -0.00013  -0.00066   0.88364
   A102       1.06566   0.00000  -0.00017  -0.00017  -0.00034   1.06532
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   A122       1.87187   0.00001  -0.00034  -0.00035  -0.00069   1.87118
   A123       2.24041   0.00001  -0.00003  -0.00023  -0.00026   2.24015
   A124       2.18150   0.00001   0.00013   0.00012   0.00025   2.18175
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   A127       0.65761   0.00000  -0.00011  -0.00011  -0.00022   0.65739
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   A242       1.91336   0.00000  -0.00013  -0.00004  -0.00018   1.91318
   A243       1.91790   0.00000  -0.00010   0.00011   0.00001   1.91791
   A244       1.91693   0.00000  -0.00002   0.00004   0.00002   1.91694
   A245       1.90960  -0.00001  -0.00024  -0.00011  -0.00035   1.90925
   A246       1.90829   0.00000   0.00004   0.00000   0.00005   1.90834
   A247       1.89763   0.00002   0.00045   0.00000   0.00046   1.89809
   A248       1.31464   0.00000   0.00086   0.00078   0.00164   1.31628
   A249       1.90744   0.00000  -0.00004   0.00008   0.00005   1.90749
   A250       1.90919   0.00000  -0.00003   0.00001   0.00000   1.90919
   A251       1.92642   0.00000   0.00005  -0.00004   0.00000   1.92642
   A252       1.91012   0.00001   0.00005  -0.00005  -0.00001   1.91011
   A253       1.89616   0.00000  -0.00011   0.00000  -0.00012   1.89604
   A254       1.91438   0.00000   0.00009   0.00000   0.00008   1.91446
   A255       1.72604  -0.00001  -0.00042  -0.00006  -0.00048   1.72555
   A256       1.76351   0.00000  -0.00064  -0.00003  -0.00066   1.76285
   A257       2.19034   0.00000  -0.00001   0.00005   0.00004   2.19038
   A258       2.13023   0.00000   0.00008  -0.00005   0.00003   2.13026
   A259       1.96239   0.00000  -0.00008   0.00000  -0.00007   1.96231
   A260       2.12325   0.00001   0.00007   0.00009   0.00016   2.12341
   A261       2.12317   0.00001   0.00024  -0.00001   0.00023   2.12340
   A262       2.03631  -0.00001  -0.00034  -0.00008  -0.00042   2.03588
   A263       1.34513   0.00000   0.00040  -0.00037   0.00003   1.34516
   A264       1.90020   0.00000  -0.00012  -0.00011  -0.00023   1.89997
   A265       1.93108   0.00000  -0.00010   0.00005  -0.00005   1.93103
   A266       1.90878   0.00000  -0.00001   0.00002   0.00001   1.90879
   A267       1.89689   0.00000  -0.00007   0.00003  -0.00005   1.89684
   A268       1.91447   0.00000   0.00021   0.00003   0.00025   1.91472
   A269       1.91231   0.00000   0.00009  -0.00003   0.00007   1.91238
   A270       2.67972   0.00000  -0.00087  -0.00032  -0.00119   2.67853
   A271       1.68342   0.00001   0.00089   0.00036   0.00125   1.68467
   A272       1.92582   0.00000  -0.00037   0.00000  -0.00038   1.92544
   A273       1.91258  -0.00001  -0.00014  -0.00002  -0.00016   1.91242
   A274       1.91444  -0.00001   0.00015   0.00001   0.00016   1.91460
   A275       1.89340   0.00000  -0.00002  -0.00001  -0.00003   1.89337
   A276       1.91066   0.00000   0.00001  -0.00002  -0.00001   1.91065
   A277       1.90671   0.00001   0.00037   0.00005   0.00042   1.90713
   A278       1.81749   0.00000   0.00007  -0.00014  -0.00007   1.81742
   A279       1.74609  -0.00002  -0.00070   0.00016  -0.00054   1.74555
   A280       2.18977   0.00000   0.00005  -0.00006   0.00000   2.18977
   A281       2.13032   0.00001  -0.00001   0.00004   0.00003   2.13035
   A282       1.96301  -0.00001  -0.00005   0.00001  -0.00003   1.96298
   A283       2.12375   0.00000  -0.00009   0.00004  -0.00005   2.12370
   A284       2.11453   0.00000   0.00014  -0.00003   0.00010   2.11463
   A285       2.04241  -0.00001   0.00001   0.00000   0.00001   2.04242
   A286       2.71425   0.00001  -0.00056   0.00000  -0.00056   2.71369
   A287       1.64298  -0.00001   0.00053  -0.00004   0.00048   1.64346
   A288       1.92683   0.00000   0.00002   0.00006   0.00009   1.92692
   A289       1.91506   0.00000   0.00016  -0.00002   0.00014   1.91520
   A290       1.91152  -0.00001   0.00006   0.00003   0.00009   1.91161
   A291       1.89050   0.00000  -0.00021  -0.00005  -0.00025   1.89025
   A292       1.91302   0.00000  -0.00007   0.00001  -0.00006   1.91296
   A293       1.90670   0.00000   0.00004  -0.00004  -0.00001   1.90669
   A294       1.34836   0.00001   0.00052   0.00023   0.00075   1.34911
   A295       1.15634  -0.00001  -0.00059  -0.00028  -0.00087   1.15547
   A296       1.93401   0.00000   0.00002   0.00001   0.00003   1.93404
   A297       1.90766   0.00000   0.00000  -0.00001  -0.00001   1.90765
   A298       1.90138  -0.00001  -0.00004  -0.00002  -0.00005   1.90133
   A299       1.90865   0.00000  -0.00001   0.00002   0.00001   1.90866
   A300       1.89876   0.00001   0.00000  -0.00003  -0.00003   1.89873
   A301       1.91327   0.00000   0.00002   0.00003   0.00005   1.91332
   A302       1.61601   0.00001  -0.00119   0.00031  -0.00087   1.61514
   A303       1.82731   0.00001   0.00136   0.00006   0.00142   1.82873
   A304       2.18860  -0.00001  -0.00013   0.00010  -0.00003   2.18856
   A305       2.13020  -0.00001  -0.00003  -0.00014  -0.00017   2.13003
   A306       1.96403   0.00002   0.00016   0.00004   0.00020   1.96423
   A307       2.12552   0.00002   0.00001   0.00004   0.00005   2.12557
   A308       2.12349  -0.00001  -0.00003   0.00000  -0.00003   2.12346
   A309       2.02952  -0.00001   0.00009   0.00000   0.00009   2.02962
   A310       1.30596   0.00000  -0.00087   0.00054  -0.00033   1.30563
   A311       3.03995  -0.00001   0.00079  -0.00094  -0.00014   3.03981
   A312       1.91217  -0.00001  -0.00003  -0.00021  -0.00023   1.91194
   A313       1.92695   0.00001   0.00004   0.00014   0.00016   1.92712
   A314       1.90277   0.00000   0.00004   0.00003   0.00006   1.90283
   A315       1.91278   0.00001  -0.00012   0.00014   0.00003   1.91281
   A316       1.91231   0.00000   0.00011  -0.00005   0.00007   1.91237
   A317       1.89672  -0.00001  -0.00004  -0.00005  -0.00008   1.89664
   A318       1.79647   0.00000   0.00003   0.00016   0.00019   1.79666
   A319       1.91611   0.00000  -0.00005  -0.00002  -0.00007   1.91603
   A320       1.91379   0.00003  -0.00003   0.00012   0.00009   1.91388
   A321       1.91978  -0.00001  -0.00003  -0.00002  -0.00005   1.91973
   A322       1.90783  -0.00001   0.00001   0.00003   0.00004   1.90786
   A323       1.90998   0.00000   0.00002  -0.00004  -0.00002   1.90995
   A324       1.89619  -0.00001   0.00008  -0.00007   0.00001   1.89620
   A325       2.93503   0.00000  -0.00046   0.00017  -0.00029   2.93474
   A326       3.39794   0.00000  -0.00015   0.00000  -0.00015   3.39779
   A327       3.11253   0.00000  -0.00003   0.00005   0.00002   3.11255
   A328       3.22902   0.00000   0.00095   0.00077   0.00172   3.23074
   A329       3.25744   0.00000   0.00050  -0.00040   0.00010   3.25754
   A330       3.25701   0.00000   0.00051   0.00025   0.00076   3.25777
   A331       3.70644   0.00000   0.00004   0.00012   0.00017   3.70661
   A332       3.28441   0.00000   0.00143   0.00067   0.00211   3.28651
   A333       2.93710   0.00000  -0.00061   0.00013  -0.00048   2.93662
   A334       2.88109  -0.00001  -0.00050   0.00015  -0.00035   2.88074
   A335       3.23497   0.00000   0.00060  -0.00002   0.00058   3.23555
   A336       3.08053   0.00000  -0.00027   0.00012  -0.00015   3.08038
   A337       3.10544   0.00000  -0.00040  -0.00022  -0.00062   3.10482
   A338       3.05280   0.00001   0.00112   0.00011   0.00123   3.05404
    D1        2.76068   0.00000   0.00018   0.00006   0.00024   2.76092
    D2       -1.35832   0.00000   0.00006   0.00021   0.00026  -1.35806
    D3        2.78552   0.00000   0.00035   0.00015   0.00050   2.78602
    D4       -1.33349   0.00001   0.00023   0.00030   0.00052  -1.33296
    D5        1.66039   0.00000   0.00013  -0.00028  -0.00015   1.66024
    D6       -2.45861   0.00000   0.00001  -0.00014  -0.00013  -2.45874
    D7        1.83239   0.00000  -0.00008  -0.00053  -0.00061   1.83179
    D8       -2.28661   0.00000  -0.00021  -0.00039  -0.00059  -2.28720
    D9        0.23614   0.00000  -0.00138  -0.00049  -0.00187   0.23427
   D10        2.40032   0.00000  -0.00150  -0.00035  -0.00185   2.39847
   D11       -0.03022   0.00000  -0.00127  -0.00058  -0.00185  -0.03207
   D12        2.13396   0.00000  -0.00140  -0.00043  -0.00183   2.13213
   D13       -0.49889   0.00000  -0.00108  -0.00052  -0.00160  -0.50049
   D14        1.66529   0.00000  -0.00121  -0.00038  -0.00159   1.66371
   D15       -0.60065   0.00000  -0.00112  -0.00053  -0.00165  -0.60230
   D16        1.56353   0.00000  -0.00124  -0.00039  -0.00163   1.56190
   D17        0.17186  -0.00001  -0.00141  -0.00076  -0.00216   0.16970
   D18        2.33604  -0.00001  -0.00154  -0.00061  -0.00215   2.33390
   D19        0.11585  -0.00001  -0.00130  -0.00073  -0.00203   0.11382
   D20        2.28003  -0.00001  -0.00142  -0.00059  -0.00201   2.27802
   D21        2.37042   0.00000  -0.00130  -0.00084  -0.00214   2.36828
   D22       -1.74858   0.00000  -0.00142  -0.00069  -0.00212  -1.75070
   D23        2.13193   0.00000  -0.00137  -0.00098  -0.00235   2.12958
   D24       -1.98707   0.00000  -0.00150  -0.00083  -0.00233  -1.98940
   D25        1.68331   0.00000  -0.00134  -0.00090  -0.00224   1.68106
   D26       -2.43569   0.00000  -0.00147  -0.00076  -0.00223  -2.43792
   D27        1.37435   0.00000  -0.00139  -0.00087  -0.00227   1.37208
   D28       -2.74466   0.00000  -0.00152  -0.00073  -0.00225  -2.74691
   D29        2.35445  -0.00001  -0.00155  -0.00123  -0.00278   2.35168
   D30       -1.76455  -0.00001  -0.00168  -0.00108  -0.00276  -1.76730
   D31       -1.74456   0.00000  -0.00062  -0.00075  -0.00138  -1.74594
   D32        0.41962   0.00000  -0.00075  -0.00060  -0.00136   0.41826
   D33       -2.09896   0.00000  -0.00075  -0.00078  -0.00153  -2.10049
   D34        0.06522   0.00000  -0.00087  -0.00063  -0.00151   0.06372
   D35       -2.47292   0.00000  -0.00072  -0.00071  -0.00142  -2.47434
   D36       -0.30874   0.00000  -0.00084  -0.00056  -0.00140  -0.31014
   D37       -2.76524   0.00000  -0.00080  -0.00089  -0.00168  -2.76692
   D38       -0.60105   0.00000  -0.00092  -0.00074  -0.00166  -0.60272
   D39       -2.13000   0.00000  -0.00093  -0.00099  -0.00192  -2.13191
   D40        0.03419   0.00000  -0.00106  -0.00084  -0.00190   0.03229
   D41       -2.37528   0.00000  -0.00104  -0.00132  -0.00236  -2.37765
   D42       -0.21110   0.00000  -0.00117  -0.00117  -0.00235  -0.21344
   D43        1.26306   0.00001  -0.00013   0.00015   0.00001   1.26307
   D44       -1.96209   0.00001  -0.00150  -0.00170  -0.00320  -1.96529
   D45        2.45042   0.00000  -0.00022  -0.00035  -0.00058   2.44983
   D46       -0.77473   0.00000  -0.00159  -0.00221  -0.00379  -0.77853
   D47        2.92879   0.00000  -0.00047  -0.00059  -0.00105   2.92774
   D48       -0.29636   0.00000  -0.00183  -0.00244  -0.00427  -0.30063
   D49        2.88085  -0.00001  -0.00203  -0.00055  -0.00259   2.87826
   D50       -0.34430  -0.00001  -0.00339  -0.00241  -0.00580  -0.35010
   D51        1.96758   0.00000  -0.00292  -0.00091  -0.00383   1.96375
   D52       -1.25757   0.00000  -0.00428  -0.00276  -0.00704  -1.26461
   D53        1.03197   0.00000  -0.00244  -0.00103  -0.00348   1.02850
   D54       -2.19317   0.00000  -0.00381  -0.00288  -0.00669  -2.19986
   D55        0.95788   0.00000  -0.00181  -0.00070  -0.00251   0.95536
   D56       -2.26727   0.00000  -0.00318  -0.00255  -0.00573  -2.27300
   D57        1.99101  -0.00001  -0.00212  -0.00082  -0.00295   1.98806
   D58       -1.23414  -0.00001  -0.00348  -0.00267  -0.00616  -1.24030
   D59        1.80428  -0.00001  -0.00172  -0.00070  -0.00242   1.80186
   D60       -1.42087  -0.00001  -0.00308  -0.00255  -0.00563  -1.42650
   D61       -2.31102   0.00000  -0.00167  -0.00084  -0.00251  -2.31353
   D62        0.74702   0.00000  -0.00303  -0.00269  -0.00572   0.74130
   D63       -2.43141   0.00000  -0.00137  -0.00074  -0.00210  -2.43351
   D64        0.62663   0.00000  -0.00273  -0.00259  -0.00531   0.62131
   D65       -2.83272   0.00000  -0.00129  -0.00069  -0.00198  -2.83470
   D66        0.22532   0.00000  -0.00265  -0.00254  -0.00520   0.22013
   D67       -3.00105   0.00001  -0.00136  -0.00063  -0.00198  -3.00303
   D68        0.05699   0.00001  -0.00272  -0.00248  -0.00519   0.05179
   D69       -2.14321   0.00000  -0.00119  -0.00065  -0.00184  -2.14504
   D70        0.91483   0.00000  -0.00255  -0.00250  -0.00505   0.90978
   D71       -0.17073   0.00000  -0.00111  -0.00117  -0.00228  -0.17301
   D72        2.88731   0.00000  -0.00247  -0.00302  -0.00550   2.88181
   D73       -0.57087   0.00000  -0.00109  -0.00108  -0.00217  -0.57304
   D74        2.48717   0.00000  -0.00245  -0.00293  -0.00538   2.48179
   D75       -0.73298   0.00000  -0.00098  -0.00085  -0.00184  -0.73481
   D76        2.32506   0.00000  -0.00235  -0.00271  -0.00505   2.32001
   D77       -1.07007   0.00000  -0.00114  -0.00082  -0.00197  -1.07203
   D78        1.98797   0.00000  -0.00251  -0.00267  -0.00518   1.98279
   D79       -0.85998   0.00000  -0.00099  -0.00122  -0.00221  -0.86219
   D80        2.19806   0.00000  -0.00236  -0.00307  -0.00542   2.19264
   D81       -1.16302   0.00000  -0.00088  -0.00122  -0.00210  -1.16512
   D82        1.89501   0.00000  -0.00224  -0.00307  -0.00531   1.88970
   D83       -1.51993   0.00000   0.00041   0.00032   0.00073  -1.51920
   D84       -2.60080   0.00000   0.00032   0.00004   0.00035  -2.60045
   D85       -2.93561   0.00000   0.00056   0.00024   0.00080  -2.93481
   D86        0.73179  -0.00001  -0.00075  -0.00014  -0.00089   0.73091
   D87        0.29789   0.00000  -0.00091  -0.00014  -0.00105   0.29684
   D88       -0.10664   0.00000  -0.00102  -0.00004  -0.00106  -0.10770
   D89       -0.43625   0.00000  -0.00099  -0.00001  -0.00101  -0.43726
   D90        0.18543  -0.00001  -0.00100  -0.00024  -0.00125   0.18418
   D91       -0.04699  -0.00001  -0.00084  -0.00019  -0.00103  -0.04802
   D92        2.38607   0.00000  -0.00101  -0.00025  -0.00126   2.38480
   D93        2.04475   0.00000  -0.00093  -0.00027  -0.00121   2.04354
   D94        1.64418   0.00000  -0.00104  -0.00029  -0.00132   1.64286
   D95        1.36248   0.00000  -0.00099  -0.00026  -0.00125   1.36123
   D96        2.06166   0.00000  -0.00068  -0.00027  -0.00094   2.06072
   D97       -1.87806   0.00000  -0.00076  -0.00060  -0.00135  -1.87941
   D98       -2.43212   0.00000  -0.00092  -0.00091  -0.00182  -2.43395
   D99       -2.64367   0.00000  -0.00045  -0.00048  -0.00093  -2.64460
   D100      -2.97309   0.00000  -0.00049  -0.00036  -0.00085  -2.97394
   D101      -2.92328   0.00000  -0.00090  -0.00168  -0.00258  -2.92585
   D102       2.82503  -0.00001  -0.00017  -0.00132  -0.00149   2.82354
   D103      -2.83363  -0.00001   0.00010  -0.00045  -0.00035  -2.83398
   D104       1.26268   0.00000   0.00037  -0.00036   0.00001   1.26269
   D105       2.85240   0.00001   0.00030  -0.00018   0.00012   2.85252
   D106       0.66553   0.00001   0.00057  -0.00010   0.00047   0.66600
   D107       2.30045   0.00001   0.00067  -0.00031   0.00036   2.30081
   D108       0.11357   0.00001   0.00094  -0.00022   0.00072   0.11429
   D109       1.67368   0.00000  -0.00082  -0.00090  -0.00172   1.67196
   D110      -0.51319   0.00000  -0.00055  -0.00082  -0.00137  -0.51456
   D111       2.60765   0.00000  -0.00047  -0.00036  -0.00083   2.60682
   D112       0.42077   0.00000  -0.00020  -0.00028  -0.00047   0.42030
   D113       2.26473   0.00000  -0.00051  -0.00029  -0.00081   2.26392
   D114       0.07785   0.00000  -0.00024  -0.00021  -0.00045   0.07740
   D115      -1.60756   0.00000  -0.00023  -0.00014  -0.00037  -1.60793
   D116       2.48875   0.00000   0.00004  -0.00006  -0.00002   2.48873
   D117      -1.77068   0.00000  -0.00018  -0.00028  -0.00046  -1.77114
   D118       2.32563   0.00000   0.00009  -0.00019  -0.00010   2.32553
   D119      -2.73409   0.00001   0.00016  -0.00003   0.00013  -2.73397
   D120       1.36222   0.00001   0.00043   0.00005   0.00048   1.36270
   D121      -2.69152   0.00001   0.00001  -0.00016  -0.00015  -2.69167
   D122       1.40479   0.00001   0.00028  -0.00008   0.00021   1.40500
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   D124      -0.84519   0.00000   0.00029  -0.00004   0.00025  -0.84494
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   D342      -1.87662   0.00001   0.00124   0.00055   0.00179  -1.87483
   D343       0.28984   0.00000   0.00111   0.00053   0.00164   0.29148
   D344      -1.55934   0.00001   0.00128   0.00068   0.00195  -1.55738
   D345       0.60712   0.00000   0.00115   0.00065   0.00180   0.60892
   D346      -1.59684   0.00000   0.00093   0.00007   0.00100  -1.59584
   D347       0.56962   0.00000   0.00080   0.00004   0.00085   0.57047
   D348      -1.29480   0.00000   0.00075   0.00007   0.00082  -1.29398
   D349       0.87167   0.00000   0.00063   0.00004   0.00067   0.87233
   D350       1.90358   0.00000   0.00128   0.00083   0.00211   1.90569
   D351      -2.21315   0.00000   0.00115   0.00080   0.00196  -2.21119
   D352       2.35753   0.00000   0.00155   0.00083   0.00239   2.35992
   D353      -1.75919   0.00000   0.00143   0.00081   0.00224  -1.75695
   D354       2.67919   0.00001   0.00224   0.00107   0.00331   2.68250
   D355      -1.43753   0.00000   0.00212   0.00104   0.00316  -1.43437
   D356      -2.99664   0.00000   0.00196   0.00026   0.00222  -2.99441
   D357      -0.83018   0.00000   0.00184   0.00023   0.00207  -0.82810
   D358       2.64847   0.00000   0.00119   0.00050   0.00170   2.65017
   D359      -1.46825   0.00000   0.00107   0.00047   0.00154  -1.46671
   D360       1.64910   0.00000   0.00032   0.00000   0.00032   1.64942
   D361      -2.46762   0.00000   0.00019  -0.00003   0.00016  -2.46746
   D362       1.82325   0.00000   0.00060  -0.00016   0.00044   1.82369
   D363      -2.29347   0.00000   0.00047  -0.00019   0.00028  -2.29319
   D364       2.75637  -0.00001   0.00015   0.00005   0.00020   2.75657
   D365      -1.36035  -0.00001   0.00003   0.00002   0.00005  -1.36031
   D366       2.76252   0.00000   0.00026   0.00010   0.00036   2.76287
   D367      -1.35421   0.00000   0.00014   0.00007   0.00020  -1.35400
   D368       0.08370   0.00000   0.00024   0.00127   0.00151   0.08521
   D369      -2.35884   0.00000   0.00599   0.00164   0.00763  -2.35120
   D370       0.48405   0.00000   0.00030   0.00128   0.00157   0.48563
   D371      -1.95849   0.00000   0.00605   0.00165   0.00770  -1.95079
   D372       0.69795   0.00000   0.00007   0.00118   0.00124   0.69919
   D373      -1.74459   0.00000   0.00582   0.00155   0.00737  -1.73723
   D374       0.96666   0.00000  -0.00011   0.00108   0.00097   0.96763
   D375      -1.47588   0.00000   0.00564   0.00145   0.00709  -1.46879
   D376       0.72672   0.00000   0.00059   0.00153   0.00212   0.72884
   D377      -1.71582   0.00000   0.00634   0.00191   0.00824  -1.70757
   D378       1.06928   0.00000   0.00042   0.00154   0.00196   1.07124
   D379      -1.37327   0.00000   0.00617   0.00192   0.00809  -1.36518
   D380      -2.67857   0.00000   0.00099   0.00118   0.00217  -2.67640
   D381       1.16208   0.00000   0.00674   0.00155   0.00829   1.17037
   D382      -2.16625   0.00000   0.00104   0.00106   0.00209  -2.16416
   D383       1.67439   0.00000   0.00678   0.00143   0.00822   1.68260
   D384      -1.92374   0.00000   0.00076   0.00114   0.00191  -1.92183
   D385       1.91691   0.00000   0.00651   0.00152   0.00803   1.92494
   D386      -1.59589   0.00000   0.00062   0.00117   0.00179  -1.59410
   D387       2.24475   0.00000   0.00637   0.00155   0.00792   2.25267
   D388      -1.73471   0.00001   0.00106   0.00072   0.00177  -1.73294
   D389       2.10594   0.00001   0.00681   0.00109   0.00789   2.11383
   D390      -1.17834  -0.00001   0.00022   0.00071   0.00093  -1.17740
   D391       2.66231  -0.00001   0.00597   0.00108   0.00706   2.66936
   D392       1.82340   0.00000   0.00040   0.00125   0.00165   1.82505
   D393      -0.61914   0.00000   0.00615   0.00163   0.00777  -0.61137
   D394       2.13456   0.00000   0.00046   0.00131   0.00177   2.13633
   D395      -0.30798   0.00000   0.00621   0.00168   0.00789  -0.30009
   D396       2.10698   0.00000   0.00052   0.00146   0.00198   2.10896
   D397      -0.33556   0.00000   0.00627   0.00183   0.00810  -0.32745
   D398       2.34085   0.00001   0.00052   0.00153   0.00205   2.34290
   D399      -0.10169   0.00001   0.00627   0.00191   0.00817  -0.09352
   D400       2.52498   0.00000   0.00037   0.00125   0.00162   2.52660
   D401       0.08243   0.00000   0.00612   0.00163   0.00775   0.09018
   D402      -1.53227   0.00000  -0.00032   0.00054   0.00022  -1.53206
   D403       2.30837   0.00000   0.00543   0.00091   0.00634   2.31471
   D404      -2.62667   0.00000  -0.00001   0.00064   0.00062  -2.62605
   D405       1.21397   0.00000   0.00573   0.00101   0.00674   1.22071
   D406      -2.97284   0.00000  -0.00003   0.00066   0.00063  -2.97222
   D407       0.86780   0.00000   0.00572   0.00103   0.00675   0.87455
   D408       1.92224   0.00000   0.00033   0.00040   0.00073   1.92297
   D409       2.42840   0.00000   0.00048   0.00077   0.00125   2.42965
   D410       2.65713   0.00000   0.00008   0.00048   0.00056   2.65769
   D411       2.88646   0.00000  -0.00025   0.00023  -0.00002   2.88644
   D412       2.87701   0.00000   0.00086   0.00170   0.00256   2.87957
   D413      -2.90773   0.00000   0.00010   0.00125   0.00136  -2.90637
   D414      -0.71285   0.00000   0.00085   0.00035   0.00120  -0.71165
   D415      -0.33742   0.00000   0.00089   0.00029   0.00118  -0.33624
   D416      -0.00984   0.00000   0.00085   0.00041   0.00126  -0.00858
   D417       0.29503   0.00000   0.00078   0.00030   0.00108   0.29611
   D418      -0.22738   0.00001   0.00098   0.00007   0.00105  -0.22633
   D419       0.06497   0.00001   0.00079  -0.00014   0.00065   0.06561
   D420      -2.52801   0.00000   0.00071   0.00042   0.00113  -2.52688
   D421      -2.14733   0.00000   0.00073   0.00040   0.00113  -2.14621
   D422      -1.88468   0.00000   0.00073   0.00042   0.00115  -1.88353
   D423      -1.56781   0.00000   0.00071   0.00032   0.00103  -1.56678
   D424      -1.95212   0.00000   0.00069   0.00033   0.00102  -1.95110
   D425       1.29714  -0.00001  -0.00036  -0.00008  -0.00043   1.29671
   D426       2.46945   0.00000   0.00006  -0.00007  -0.00001   2.46944
   D427       2.94631   0.00001   0.00032  -0.00015   0.00017   2.94648
   D428      -3.05341   0.00000   0.00113   0.00077   0.00190  -3.05152
   D429       0.02756  -0.00001  -0.00117   0.00013  -0.00104   0.02652
   D430       0.05793   0.00001   0.00116   0.00080   0.00196   0.05989
   D431       3.13891   0.00000  -0.00115   0.00017  -0.00098   3.13793
   D432      -0.11230   0.00000  -0.00196  -0.00096  -0.00292  -0.11522
   D433       1.98700  -0.00002  -0.00240  -0.00105  -0.00345   1.98355
   D434      -2.20939   0.00001  -0.00192  -0.00096  -0.00288  -2.21227
   D435       3.08681   0.00001   0.00022  -0.00035  -0.00013   3.08667
   D436      -1.09708  -0.00001  -0.00022  -0.00045  -0.00067  -1.09774
   D437       0.98971   0.00001   0.00026  -0.00035  -0.00009   0.98962
   D438      -2.34062   0.00000   0.00209   0.00006   0.00214  -2.33848
   D439      -0.24968   0.00000   0.00210   0.00006   0.00216  -0.24752
   D440       1.85824   0.00000   0.00222   0.00003   0.00226   1.86050
   D441       0.74328  -0.00001  -0.00012  -0.00055  -0.00067   0.74262
   D442       2.83423  -0.00001  -0.00010  -0.00055  -0.00065   2.83358
   D443      -1.34104  -0.00001   0.00002  -0.00057  -0.00055  -1.34159
   D444       0.00472   0.00000   0.00088   0.00002   0.00090   0.00562
   D445       3.11273   0.00000  -0.00024   0.00016  -0.00008   3.11266
   D446      -3.11448   0.00001   0.00100   0.00003   0.00104  -3.11344
   D447      -0.00647   0.00001  -0.00012   0.00018   0.00006  -0.00640
   D448       2.43300   0.00000  -0.00161   0.00033  -0.00128   2.43171
   D449      -1.76666   0.00000  -0.00184   0.00033  -0.00151  -1.76817
   D450       0.34137   0.00000  -0.00179   0.00034  -0.00145   0.33992
   D451      -0.67660   0.00000  -0.00055   0.00018  -0.00037  -0.67697
   D452       1.40692   0.00000  -0.00078   0.00018  -0.00060   1.40633
   D453      -2.76824   0.00000  -0.00073   0.00020  -0.00054  -2.76877
   D454       2.04674   0.00001   0.00193   0.00031   0.00224   2.04898
   D455      -2.15268   0.00000   0.00159   0.00029   0.00187  -2.15080
   D456      -0.05956   0.00001   0.00205   0.00034   0.00239  -0.05717
   D457      -1.12684   0.00001   0.00087   0.00046   0.00133  -1.12552
   D458       0.95693   0.00000   0.00052   0.00043   0.00096   0.95788
   D459       3.05005   0.00001   0.00099   0.00048   0.00147   3.05152
   D460      -3.08609   0.00000  -0.00023  -0.00018  -0.00042  -3.08651
   D461      -0.02266   0.00000   0.00062  -0.00002   0.00060  -0.02206
   D462       0.06913   0.00001   0.00007  -0.00027  -0.00019   0.06894
   D463       3.13256   0.00002   0.00093  -0.00010   0.00083   3.13338
   D464       1.91955   0.00000   0.00131   0.00010   0.00141   1.92095
   D465      -2.28127  -0.00001   0.00117   0.00007   0.00124  -2.28003
   D466      -0.18844   0.00000   0.00135   0.00002   0.00137  -0.18707
   D467      -1.14697  -0.00001   0.00049  -0.00006   0.00043  -1.14654
   D468       0.93540  -0.00001   0.00035  -0.00009   0.00026   0.93566
   D469       3.02823  -0.00001   0.00053  -0.00014   0.00039   3.02863
   D470      -1.62740  -0.00001  -0.00118  -0.00043  -0.00162  -1.62902
   D471       0.47721  -0.00001  -0.00118  -0.00041  -0.00159   0.47562
   D472       2.56743  -0.00002  -0.00118  -0.00039  -0.00157   2.56586
   D473       1.43953   0.00000  -0.00037  -0.00027  -0.00065   1.43889
   D474      -2.73904   0.00000  -0.00037  -0.00025  -0.00062  -2.73966
   D475      -0.64882  -0.00001  -0.00037  -0.00023  -0.00060  -0.64942
   D476       0.01416   0.00000   0.00085   0.00003   0.00088   0.01503
   D477      -3.02002  -0.00001   0.00006  -0.00051  -0.00045  -3.02047
   D478       3.12736   0.00001   0.00090   0.00003   0.00093   3.12830
   D479       0.09319   0.00000   0.00011  -0.00050  -0.00039   0.09280
   D480      -0.27533  -0.00001  -0.00042   0.00041  -0.00001  -0.27535
   D481       1.83285   0.00000  -0.00056   0.00054  -0.00002   1.83283
   D482      -2.36791   0.00000  -0.00056   0.00057   0.00001  -2.36790
   D483       2.76431   0.00000   0.00032   0.00091   0.00124   2.76555
   D484      -1.41069   0.00001   0.00018   0.00104   0.00123  -1.40946
   D485       0.67174   0.00001   0.00018   0.00108   0.00126   0.67300
   D486      -0.11442   0.00000   0.00091   0.00041   0.00133  -0.11310
   D487       1.98185   0.00001   0.00087   0.00052   0.00138   1.98324
   D488      -2.21710   0.00001   0.00094   0.00049   0.00143  -2.21567
   D489       3.12899   0.00000   0.00017  -0.00009   0.00007   3.12906
   D490      -1.05792   0.00000   0.00012   0.00001   0.00013  -1.05779
   D491       1.02631   0.00000   0.00019  -0.00001   0.00018   1.02648
         Item               Value     Threshold  Converged?
 Maximum Force            0.000033     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.010503     0.001800     NO 
 RMS     Displacement     0.001149     0.001200     YES
 Predicted change in Energy=-7.956232D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:41:02 2016, MaxMem=  2952790016 cpu:         8.8
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.785893   -0.578557    1.630298
      2          6           0       -2.043843    1.120423   -1.398277
      3          8           0       -2.567819    0.133647   -1.943646
      4          7           0       -0.755003    1.194262   -0.966700
      5          1           0       -2.615335    2.045861   -1.184650
      6          6           0       -0.257691    2.359998   -0.235221
      7          1           0       -1.028824    3.142815   -0.220407
      8          1           0       -0.006310    2.074362    0.799101
      9          1           0        0.649017    2.750093   -0.725359
     10          6           0        0.183265    0.082815   -1.139865
     11          1           0        0.727519   -0.084138   -0.197083
     12          1           0       -0.372805   -0.825348   -1.406504
     13          1           0        0.913799    0.316995   -1.931650
     14          6           0       -2.083353   -3.938134    2.703932
     15          8           0       -2.235525   -3.737556    3.920923
     16          7           0       -2.989275   -3.637331    1.734165
     17          1           0       -1.152029   -4.375180    2.291765
     18          6           0       -4.278650   -3.016883    2.051569
     19          1           0       -4.502295   -2.251934    1.291616
     20          1           0       -5.084762   -3.769458    2.043139
     21          1           0       -4.223101   -2.548806    3.042547
     22          6           0       -2.707510   -3.877936    0.318552
     23          1           0       -3.419360   -4.611593   -0.094159
     24          1           0       -2.811351   -2.935346   -0.244193
     25          1           0       -1.682601   -4.257587    0.204184
     26          6           0        1.610447    0.357070    2.571821
     27          8           0        1.463719    1.384645    3.254816
     28          7           0        1.206493   -0.892765    2.928718
     29          1           0        2.088385    0.378392    1.572584
     30          6           0        1.482395   -2.059025    2.088379
     31          1           0        2.229923   -2.711760    2.569866
     32          1           0        0.557206   -2.640529    1.943376
     33          1           0        1.858250   -1.726676    1.110808
     34          6           0        0.559284   -1.140553    4.219550
     35          1           0        1.301426   -1.440382    4.979088
     36          1           0        0.048673   -0.227319    4.550514
     37          1           0       -0.173709   -1.951221    4.101362
     38          6           0       -4.604571    0.978509    2.903009
     39          8           0       -4.855696    1.532604    1.818866
     40          7           0       -3.548474    1.269431    3.711222
     41          1           0       -5.228656    0.153029    3.299947
     42          6           0       -2.581659    2.317759    3.371251
     43          1           0       -2.684329    2.582125    2.310891
     44          1           0       -2.749733    3.212225    3.993236
     45          1           0       -1.563988    1.942669    3.560991
     46          6           0       -3.244402    0.467061    4.896646
     47          1           0       -4.040117   -0.272838    5.058911
     48          1           0       -2.282987   -0.056093    4.754291
     49          1           0       -3.163376    1.118288    5.781683
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.482145   0.000000
     3  O    3.727159   1.243264   0.000000
     4  N    3.309081   1.361182   2.316382   0.000000
     5  H    3.936937   1.108457   2.057886   2.057561   0.000000
     6  C    3.801403   2.465681   3.634837   1.463326   2.560973
     7  H    4.224556   2.551022   3.793831   2.104470   2.156407
     8  H    3.300876   3.144838   4.224969   2.110254   3.277666
     9  H    4.749507   3.218716   4.321810   2.109533   3.370888
    10  C    3.462484   2.470509   2.866550   1.464803   3.418731
    11  H    3.146587   3.251812   3.735929   2.103447   4.084956
    12  H    3.358555   2.564851   2.454848   2.101982   3.649932
    13  H    4.558269   3.110888   3.486462   2.117929   4.000222
    14  C    3.539482   6.512962   6.197910   6.448220   7.156275
    15  O    3.927901   7.206288   7.034898   7.099551   7.723927
    16  N    3.288619   5.774275   5.284334   5.969165   6.399843
    17  H    3.905595   6.679326   6.346076   6.464820   7.446912
    18  C    3.512370   5.832075   5.367916   6.265762   6.234670
    19  H    3.208386   4.965108   4.460954   5.569421   5.306935
    20  H    4.608126   6.708313   6.120758   7.241854   7.094690
    21  H    3.437487   6.159004   5.898952   6.489401   6.447098
    22  C    3.668236   5.326495   4.607586   5.584921   6.112241
    23  H    4.680529   6.037282   5.163625   6.447331   6.793918
    24  H    3.181153   4.286051   3.516555   4.669501   5.072997
    25  H    3.947117   5.623288   4.967869   5.652792   6.521680
    26  C    3.646504   5.449607   6.156075   4.337900   5.900875
    27  O    4.129552   5.833016   6.696439   4.772858   6.065043
    28  N    3.277041   5.774123   6.248110   4.835022   6.337326
    29  H    3.991129   5.143144   5.839863   3.898520   5.701559
    30  C    3.617089   5.890672   6.121214   4.992328   6.659896
    31  H    4.643288   6.978313   7.175406   6.055914   7.759374
    32  H    3.136855   5.663643   5.707080   4.989595   6.466206
    33  H    3.855882   5.443143   5.690393   4.435878   6.286027
    34  C    3.538350   6.591529   7.027612   5.837456   7.031132
    35  H    4.635588   7.643254   8.085349   6.820751   8.092378
    36  H    3.466506   6.448499   7.010737   5.753819   6.719851
    37  H    3.254152   6.571029   6.827924   5.993097   7.062586
    38  C    3.462542   5.007847   5.324680   5.462634   4.669610
    39  O    3.730449   4.292601   4.620385   4.968857   3.782031
    40  N    3.294237   5.328517   5.850574   5.449044   5.044121
    41  H    3.895583   5.757794   5.880111   6.269132   5.524842
    42  C    3.471715   4.946843   5.746187   4.839084   4.564132
    43  H    3.355637   4.037910   4.910163   4.048588   3.537110
    44  H    4.569736   5.826004   6.690090   5.714201   5.309329
    45  H    3.183300   5.049820   5.880583   4.659888   4.861799
    46  C    3.726875   6.441605   6.881753   6.411299   6.314309
    47  H    4.114654   6.900837   7.167195   7.018001   6.810905
    48  H    3.206151   6.268610   6.706675   6.052096   6.308700
    49  H    4.691561   7.266718   7.810565   7.165662   7.049152
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098940   0.000000
     8  H    1.102090   1.796253   0.000000
     9  H    1.102056   1.795649   1.791659   0.000000
    10  C    2.489656   3.417333   2.785999   2.739181   0.000000
    11  H    2.635507   3.674033   2.487973   2.884113   1.101329
    12  H    3.395819   4.193270   3.661602   3.780457   1.097757
    13  H    2.902433   3.832414   3.375195   2.728592   1.102471
    14  C    7.185968   7.733281   6.640226   7.997391   6.006694
    15  O    7.639733   8.120730   6.963732   8.485170   6.786557
    16  N    6.878080   7.323531   6.511211   7.751491   5.671379
    17  H    7.249008   7.927575   6.718431   7.944578   5.782111
    18  C    7.092840   7.325649   6.763309   8.077824   6.300958
    19  H    6.451187   6.592006   6.258857   7.458182   5.772142
    20  H    8.127839   8.327892   7.841463   9.112922   7.261103
    21  H    7.110879   7.296906   6.647411   8.124838   6.620730
    22  C    6.724589   7.238744   6.554179   7.502452   5.115770
    23  H    7.656313   8.115507   7.559684   8.434722   6.009149
    24  H    5.878939   6.334194   5.835571   6.673071   4.345025
    25  H    6.783500   7.441348   6.577040   7.443660   4.911925
    26  C    3.921880   4.745805   2.950514   4.185965   3.986061
    27  O    4.011848   4.623971   2.944016   4.286022   4.758944
    28  N    4.768104   5.585655   3.848377   5.189748   4.307218
    29  H    3.563564   4.535840   2.803986   3.602400   3.327796
    30  C    5.287229   6.220600   4.578578   5.633761   4.086169
    31  H    6.307096   7.258175   5.571653   6.571881   5.075487
    32  H    5.515035   6.375306   4.884375   6.015762   4.130716
    33  H    4.794779   5.815434   4.245190   4.987506   3.338467
    34  C    5.724184   6.370443   4.728112   6.292639   5.510113
    35  H    6.637978   7.312354   5.615683   7.108195   6.404062
    36  H    5.448975   5.939738   4.401575   6.087711   5.700413
    37  H    6.115522   6.734843   5.209440   6.787965   5.633400
    38  C    5.536458   5.217847   5.174102   6.625991   6.330124
    39  O    5.103480   4.625621   4.984975   6.185243   6.020557
    40  N    5.252904   5.031492   4.655673   6.284468   6.234339
    41  H    6.486804   6.242620   6.100709   7.582537   7.000411
    42  C    4.290601   3.999003   3.647962   5.235112   5.743688
    43  H    3.524287   3.076124   3.116909   4.512009   5.135890
    44  H    4.981608   4.552047   4.361605   5.833541   6.689126
    45  H    4.036310   4.003214   3.173600   4.891024   5.348831
    46  C    6.232152   6.184876   5.464297   7.209569   6.952411
    47  H    7.019003   6.971784   6.318776   8.036409   7.509212
    48  H    5.902081   6.045955   5.036430   6.818937   6.390835
    49  H    6.796175   6.684319   5.975556   7.716134   7.757580
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795217   0.000000
    13  H    1.790064   1.798909   0.000000
    14  C    5.583026   5.432412   6.969768   0.000000
    15  O    6.251805   6.350760   7.785257   1.242760   0.000000
    16  N    5.492673   4.961549   6.656491   1.360744   2.315188
    17  H    5.304724   5.185141   6.642393   1.108267   2.057835
    18  C    6.222472   5.658332   7.344542   2.468524   2.861506
    19  H    5.853761   5.134948   6.806094   3.269432   3.776053
    20  H    7.237595   6.539905   8.275311   3.077913   3.412512
    21  H    6.409246   6.130999   7.703453   2.573599   2.476919
    22  C    5.143754   4.212477   5.981198   2.466421   3.635870
    23  H    6.140444   5.033826   6.814955   3.172976   4.276247
    24  H    4.544800   3.427764   5.225129   3.197970   4.280573
    25  H    4.836049   4.011252   5.677136   2.551743   3.793455
    26  C    2.939567   4.599834   4.557211   5.666604   5.777330
    27  O    3.822946   5.475837   5.323694   6.420060   6.353349
    28  N    3.264035   4.614421   5.017207   4.488640   4.574363
    29  H    2.279826   4.047395   3.696360   6.108661   6.414976
    30  C    3.113415   4.144627   4.704190   4.077318   4.471981
    31  H    4.100929   5.113146   5.582937   4.486236   4.776802
    32  H    3.338519   3.921925   4.887733   3.038877   3.593536
    33  H    2.384756   3.482364   3.784855   4.792163   5.357180
    34  C    4.544332   5.711447   6.331460   4.136072   3.826821
    35  H    5.381590   6.630015   7.141213   4.782450   4.348189
    36  H    4.798021   6.001778   6.562253   4.661067   4.235057
    37  H    4.772299   5.625283   6.536414   3.089883   2.733979
    38  C    6.258672   6.303463   7.366406   5.528973   5.374923
    39  O    6.152252   6.004937   6.987929   6.196629   6.249682
    40  N    5.949043   6.376840   7.256791   5.502721   5.180514
    41  H    6.910969   6.832803   8.070083   5.194784   4.947838
    42  C    5.427041   6.130669   6.658982   6.311087   6.090056
    43  H    5.003958   5.547345   6.006371   6.559682   6.536971
    44  H    6.365223   7.149054   7.543745   7.296163   6.969153
    45  H    4.845830   5.810064   6.241101   5.965579   5.731097
    46  C    6.482750   7.045998   7.996173   5.055865   4.432682
    47  H    7.098692   7.453592   8.588196   4.775902   4.068886
    48  H    5.794829   6.495841   7.420272   4.394777   3.774907
    49  H    7.233985   7.952047   8.761332   6.017176   5.282287
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056894   0.000000
    18  C    1.465670   3.417371   0.000000
    19  H    2.098667   4.090569   1.101223   0.000000
    20  H    2.122260   3.986866   1.102840   1.790791   0.000000
    21  H    2.102160   3.651137   1.097369   1.797733   1.797572
    22  C    1.463298   2.561316   2.492638   2.609979   2.938927
    23  H    2.115875   3.299897   2.808136   2.942976   2.837392
    24  H    2.106737   3.355228   2.725828   2.384335   3.331070
    25  H    2.105459   2.157158   3.419306   3.627096   3.898041
    26  C    6.149338   5.486702   6.807033   6.768416   7.882484
    27  O    6.881989   6.398843   7.334580   7.257561   8.421136
    28  N    5.154034   4.253886   5.947106   6.092431   6.974202
    29  H    6.475706   5.797753   7.231629   7.101734   8.299404
    30  C    4.755245   3.513705   5.840248   6.040577   6.786396
    31  H    5.366107   3.779140   6.536303   6.867905   7.409505
    32  H    3.689838   2.460055   4.851685   5.116087   5.754670
    33  H    5.247635   4.179833   6.341231   6.384757   7.297096
    34  C    5.000331   4.136152   5.623732   5.952105   6.595692
    35  H    5.810872   4.674846   6.495612   6.923818   7.404579
    36  H    5.365550   4.873231   5.722947   5.952377   6.722040
    37  H    4.046481   3.179203   4.710396   5.169310   5.626785
    38  C    5.028057   6.399660   4.098089   3.611483   4.849035
    39  O    5.497175   6.988755   4.591837   3.837397   5.311745
    40  N    5.319565   6.294397   4.654040   4.377702   5.525674
    41  H    4.672616   6.175759   3.536850   3.216341   4.121429
    42  C    6.189451   6.928532   5.751499   5.375483   6.714433
    43  H    6.253578   7.124072   5.827349   5.264223   6.795319
    44  H    7.216454   7.938285   6.701451   6.342497   7.615716
    45  H    6.041948   6.457233   5.851915   5.601644   6.879543
    46  C    5.187717   5.883088   4.615409   4.687374   5.429320
    47  H    4.845412   5.729516   4.078086   4.280531   4.734185
    48  H    4.737644   5.098785   4.478131   4.662314   5.384177
    49  H    6.247290   6.811992   5.679545   5.771639   6.446588
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388769   0.000000
    23  H    3.839273   1.102413   0.000000
    24  H    3.597932   1.102698   1.789411   0.000000
    25  H    4.174971   1.098933   1.797405   1.795395   0.000000
    26  C    6.534217   6.454243   7.556059   6.190496   6.143690
    27  O    6.917877   7.329089   8.427038   7.012960   7.144261
    28  N    5.677669   5.571681   6.660780   5.512039   5.204995
    29  H    7.110846   6.533722   7.616642   6.187806   6.130673
    30  C    5.805430   4.898574   5.941909   4.964382   4.289646
    31  H    6.472364   5.550371   6.528460   5.777834   4.826372
    32  H    4.905907   3.850921   4.883617   4.027350   3.264414
    33  H    6.433533   5.108987   6.134155   5.010198   4.445795
    34  C    5.122472   5.777801   6.818051   5.874305   5.555638
    35  H    5.958120   6.613156   7.621039   6.814141   6.296092
    36  H    5.090316   6.231617   7.267881   6.205027   6.175026
    37  H    4.227976   4.943888   5.934158   5.177790   4.773267
    38  C    3.550625   5.819219   6.452672   5.332802   6.575581
    39  O    4.307608   6.011622   6.593473   5.328990   6.797209
    40  N    3.934613   6.221962   7.006000   5.819691   6.806521
    41  H    2.894358   5.611914   6.123327   5.286053   6.450721
    42  C    5.146439   6.908071   7.792736   6.381168   7.353488
    43  H    5.406440   6.760350   7.620637   6.081699   7.226571
    44  H    6.021969   7.985955   8.852532   7.466741   8.443564
    45  H    5.245285   6.760214   7.730516   6.311130   7.051624
    46  C    3.673008   6.334524   7.122603   6.179978   6.839643
    47  H    3.046184   6.102751   6.764929   6.059845   6.708537
    48  H    3.592733   5.870476   6.749177   5.792591   6.222257
    49  H    4.698241   7.417269   8.211126   7.270974   7.886775
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242547   0.000000
    28  N    1.361118   2.314974   0.000000
    29  H    1.107860   2.057343   2.057346   0.000000
    30  C    2.467313   3.635903   1.463713   2.564034   0.000000
    31  H    3.130730   4.223359   2.117764   3.250176   1.103036
    32  H    3.238806   4.329396   2.108827   3.405272   1.102338
    33  H    2.556944   3.799045   2.103567   2.167374   1.098803
    34  C    2.462281   2.850498   1.465102   3.413469   2.497522
    35  H    3.020143   3.313643   2.124362   3.941004   2.961700
    36  H    2.587639   2.505916   2.100854   3.659970   3.387155
    37  H    3.294073   3.811274   2.097708   4.115687   2.608908
    38  C    6.254785   6.092032   6.104981   6.850243   6.851379
    39  O    6.615122   6.482195   6.623015   7.043658   7.289983
    40  N    5.361447   5.034248   5.281772   6.094416   6.246750
    41  H    6.880780   6.804909   6.530133   7.521546   7.169330
    42  C    4.696504   4.153233   4.985318   5.367090   6.108890
    43  H    4.843971   4.419418   5.253101   5.308515   6.241104
    44  H    5.402176   4.651718   5.799643   6.107172   7.023209
    45  H    3.683697   3.093887   4.014352   4.443034   5.240477
    46  C    5.383909   5.069908   5.052953   6.284574   6.050627
    47  H    6.205745   6.024468   5.696397   7.080756   6.520173
    48  H    4.482489   4.285085   4.026066   5.424106   5.029605
    49  H    5.802763   5.278826   5.592808   6.770890   6.731939
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787609   0.000000
    33  H    1.799273   1.794718   0.000000
    34  C    2.825099   2.725968   3.419814   0.000000
    35  H    2.877996   3.348099   3.918623   1.103436   0.000000
    36  H    3.853993   3.588782   4.165839   1.097387   1.795714
    37  H    2.949804   2.380396   3.622525   1.099285   1.790916
    38  C    7.774276   6.376697   7.231740   5.734902   6.711329
    39  O    8.293650   6.835938   7.496755   6.498543   7.532318
    40  N    7.109321   5.938827   6.706077   4.789582   5.698430
    41  H    8.023119   6.566616   7.651788   6.001606   6.928235
    42  C    7.006397   6.039530   6.417153   4.748163   5.638006
    43  H    7.227873   6.157818   6.375028   5.293612   6.259879
    44  H    7.868707   7.027980   7.344021   5.472429   6.247443
    45  H    6.086033   5.303003   5.583834   3.801084   4.654743
    46  C    6.744408   5.729846   6.721764   4.184603   4.930485
    47  H    7.173359   6.037208   7.245128   4.755201   5.468236
    48  H    5.673679   4.758912   5.763303   3.088770   3.849000
    49  H    7.353414   6.534832   7.424798   4.626102   5.208205
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795279   0.000000
    38  C    5.081434   5.445356   0.000000
    39  O    5.883202   6.266405   1.243162   0.000000
    40  N    3.985491   4.681223   1.361317   2.314973   0.000000
    41  H    5.436799   5.533771   1.108358   2.058137   2.058764
    42  C    3.845351   4.955348   2.470833   2.863147   1.466050
    43  H    4.514220   5.482720   2.570898   2.461385   2.104956
    44  H    4.469015   5.771374   3.101373   3.461805   2.119427
    45  H    2.879006   4.169803   3.256946   3.746798   2.100954
    46  C    3.383240   3.988699   2.467029   3.633784   1.463383
    47  H    4.120526   4.322381   2.555854   3.797721   2.106317
    48  H    2.346802   2.909790   3.144424   4.214204   2.108665
    49  H    3.693737   4.602551   3.222321   4.328918   2.111388
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420194   0.000000
    43  H    3.654085   1.097631   0.000000
    44  H    3.998048   1.102354   1.797662   0.000000
    45  H    4.086655   1.101067   1.796335   1.790139   0.000000
    46  C    2.566189   2.488201   3.387227   2.932026   2.604839
    47  H    2.165165   3.418550   4.188148   3.866060   3.644647
    48  H    3.291780   2.763545   3.618215   3.388062   2.436386
    49  H    3.369885   2.754507   3.797197   2.784640   2.858168
                   46         47         48         49
    46  C    0.000000
    47  H    1.098609   0.000000
    48  H    1.103754   1.796462   0.000000
    49  H    1.101796   1.796193   1.791589   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2168680      0.1956090      0.1841627
 Leave Link  202 at Mon Nov 14 05:41:02 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.7117155676 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854349536 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.5262806141 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4047
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.44D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     231
 GePol: Fraction of low-weight points (<1% of avg)   =       5.71%
 GePol: Cavity surface area                          =    468.283 Ang**2
 GePol: Cavity volume                                =    458.527 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040303064 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.5222503077 Hartrees.
 Leave Link  301 at Mon Nov 14 05:41:03 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11991 LenP2D=   37524.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:41:04 2016, MaxMem=  2952790016 cpu:        15.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:41:04 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000604   -0.000187   -0.000477
         Rot=    1.000000    0.000021    0.000009   -0.000002 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:41:05 2016, MaxMem=  2952790016 cpu:         6.4
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49134627.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.10D-15 for   3708.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.13D-15 for   2243    138.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.35D-14 for   2650.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.61D-08 for   2193   1658.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.13D-14 for   1902.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.13D-14 for   2243    138.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.11D-15 for   2252.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.88D-16 for   3717    469.
 E= -1013.45146106665    
 DIIS: error= 8.62D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45146106665     IErMin= 1 ErrMin= 8.62D-05
 ErrMax= 8.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-06 BMatP= 9.46D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.70D-05 MaxDP=4.66D-04              OVMax= 7.06D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.70D-05    CP:  1.00D+00
 E= -1013.45147529317     Delta-E=       -0.000014226513 Rises=F Damp=F
 DIIS: error= 1.60D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147529317     IErMin= 2 ErrMin= 1.60D-05
 ErrMax= 1.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.93D-07 BMatP= 9.46D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.397D-01 0.960D+00
 Coeff:      0.397D-01 0.960D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=4.65D-06 MaxDP=3.05D-04 DE=-1.42D-05 OVMax= 4.37D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.59D-06    CP:  1.00D+00  9.58D-01
 E= -1013.45147402539     Delta-E=        0.000001267775 Rises=F Damp=F
 DIIS: error= 4.88D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147529317     IErMin= 2 ErrMin= 1.60D-05
 ErrMax= 4.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-06 BMatP= 2.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.359D-02 0.720D+00 0.277D+00
 Coeff:      0.359D-02 0.720D+00 0.277D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.52D-06 MaxDP=2.44D-04 DE= 1.27D-06 OVMax= 3.67D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.21D-06    CP:  1.00D+00  9.67D-01  2.81D-01
 E= -1013.45147552467     Delta-E=       -0.000001499283 Rises=F Damp=F
 DIIS: error= 6.62D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147552467     IErMin= 4 ErrMin= 6.62D-06
 ErrMax= 6.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-08 BMatP= 2.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.517D-04 0.261D+00 0.142D+00 0.597D+00
 Coeff:      0.517D-04 0.261D+00 0.142D+00 0.597D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.43D-07 MaxDP=2.67D-05 DE=-1.50D-06 OVMax= 4.62D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.11D-07    CP:  1.00D+00  9.71D-01  3.08D-01  6.52D-01
 E= -1013.45147554094     Delta-E=       -0.000000016265 Rises=F Damp=F
 DIIS: error= 3.47D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147554094     IErMin= 5 ErrMin= 3.47D-06
 ErrMax= 3.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-09 BMatP= 2.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.247D-04 0.137D+00 0.805D-01 0.399D+00 0.383D+00
 Coeff:     -0.247D-04 0.137D+00 0.805D-01 0.399D+00 0.383D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=8.49D-06 DE=-1.63D-08 OVMax= 9.99D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.84D-08    CP:  1.00D+00  9.72D-01  3.06D-01  6.70D-01  6.45D-01
 E= -1013.45147554423     Delta-E=       -0.000000003289 Rises=F Damp=F
 DIIS: error= 2.22D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147554423     IErMin= 6 ErrMin= 2.22D-07
 ErrMax= 2.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-11 BMatP= 3.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-04 0.379D-01 0.230D-01 0.119D+00 0.146D+00 0.674D+00
 Coeff:     -0.157D-04 0.379D-01 0.230D-01 0.119D+00 0.146D+00 0.674D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.30D-08 MaxDP=8.85D-07 DE=-3.29D-09 OVMax= 1.22D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.03D-08    CP:  1.00D+00  9.72D-01  3.07D-01  6.75D-01  6.42D-01
                    CP:  9.17D-01
 E= -1013.45147554426     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 6.62D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45147554426     IErMin= 7 ErrMin= 6.62D-08
 ErrMax= 6.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.31D-12 BMatP= 3.34D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-04 0.857D-02 0.553D-02 0.297D-01 0.459D-01 0.372D+00
 Coeff-Com:  0.539D+00
 Coeff:     -0.116D-04 0.857D-02 0.553D-02 0.297D-01 0.459D-01 0.372D+00
 Coeff:      0.539D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.89D-09 MaxDP=3.17D-07 DE=-2.91D-11 OVMax= 4.10D-07

 Error on total polarization charges =  0.04309
 SCF Done:  E(RB97D) =  -1013.45147554     A.U. after    7 cycles
            NFock=  7  Conv=0.79D-08     -V/T= 2.0213
 KE= 9.923521378273D+02 PE=-6.034573871534D+03 EE= 2.177248007855D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:42:40 2016, MaxMem=  2952790016 cpu:      1082.1
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11991 LenP2D=   37524.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 05:42:49 2016, MaxMem=  2952790016 cpu:       100.7
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:42:49 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:43:26 2016, MaxMem=  2952790016 cpu:       443.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21062326D+00-2.50618631D+00 3.30774195D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000175985    0.000040304    0.000028889
      2        6           0.000049679   -0.000011017    0.000023197
      3        8          -0.000001326    0.000032647   -0.000019859
      4        7          -0.000044432    0.000027376   -0.000002044
      5        1          -0.000008751    0.000026125    0.000016106
      6        6          -0.000020986   -0.000034454   -0.000016568
      7        1           0.000014862    0.000021094    0.000027979
      8        1           0.000003137   -0.000005134    0.000042472
      9        1           0.000017921    0.000027673    0.000048579
     10        6          -0.000025735    0.000014837   -0.000001371
     11        1          -0.000000223   -0.000004967   -0.000000203
     12        1           0.000001525    0.000019815   -0.000004560
     13        1          -0.000002131    0.000023434    0.000000958
     14        6          -0.000011756   -0.000024586   -0.000083405
     15        8           0.000011298   -0.000011087   -0.000011427
     16        7          -0.000051201    0.000037302   -0.000030842
     17        1          -0.000008121   -0.000014656   -0.000019744
     18        6          -0.000006558    0.000000594   -0.000040284
     19        1          -0.000016158    0.000016649   -0.000005773
     20        1          -0.000004073    0.000006939   -0.000021093
     21        1          -0.000007014    0.000000304   -0.000012433
     22        6          -0.000052911   -0.000015898   -0.000011584
     23        1          -0.000001403    0.000019935   -0.000045152
     24        1          -0.000019491    0.000044819   -0.000040632
     25        1          -0.000011392    0.000021127   -0.000027340
     26        6          -0.000006616    0.000022854    0.000014210
     27        8           0.000004494   -0.000028229    0.000022982
     28        7           0.000009156    0.000017452   -0.000014795
     29        1          -0.000000530   -0.000018723    0.000002125
     30        6          -0.000039611   -0.000063377   -0.000001423
     31        1           0.000010349   -0.000000477   -0.000018669
     32        1           0.000025264    0.000014105    0.000023969
     33        1          -0.000027694    0.000000037   -0.000018780
     34        6          -0.000008929   -0.000035931   -0.000007235
     35        1           0.000000160   -0.000036023   -0.000011054
     36        1           0.000005936   -0.000015912    0.000010525
     37        1          -0.000006723   -0.000011029   -0.000017941
     38        6           0.000024898   -0.000033720    0.000095972
     39        8          -0.000015266    0.000041038   -0.000034885
     40        7           0.000001042   -0.000003632    0.000010893
     41        1           0.000014191    0.000001654    0.000004436
     42        6          -0.000068699   -0.000066410    0.000102355
     43        1           0.000018308    0.000002235    0.000019824
     44        1           0.000065877    0.000019139   -0.000012309
     45        1          -0.000012921    0.000001585    0.000017101
     46        6           0.000002066    0.000013217   -0.000027804
     47        1           0.000003537   -0.000028376    0.000003186
     48        1           0.000008912   -0.000028906    0.000028648
     49        1           0.000012055   -0.000021743    0.000014802
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000175985 RMS     0.000030837
 Leave Link  716 at Mon Nov 14 05:43:26 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000064168 RMS     0.000005331
 Search for a local minimum.
 Step number 127 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .53313D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    116  117  118  119  120
                                                    121  122  123  124  125
                                                    126  127
 DE= -1.40D-06 DEPred=-7.96D-07 R= 1.75D+00
 TightC=F SS=  1.41D+00  RLast= 5.24D-02 DXNew= 4.7664D-01 1.5728D-01
 Trust test= 1.75D+00 RLast= 5.24D-02 DXMaxT set to 2.83D-01
 ITU=  1  1  1  1  1  1  1 -1  1 -1  0 -1  1  1  1  0 -1  0  0 -1
 ITU=  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1  0
 ITU=  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1  0
 ITU= -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00001   0.00027   0.00077   0.00079   0.00090
     Eigenvalues ---    0.00104   0.00136   0.00162   0.00183   0.00219
     Eigenvalues ---    0.00234   0.00266   0.00331   0.00355   0.00450
     Eigenvalues ---    0.00494   0.00607   0.00684   0.00724   0.00819
     Eigenvalues ---    0.00850   0.00869   0.00926   0.00969   0.01046
     Eigenvalues ---    0.01103   0.01185   0.01231   0.01341   0.01422
     Eigenvalues ---    0.01473   0.01593   0.01690   0.01754   0.01779
     Eigenvalues ---    0.01811   0.01846   0.01898   0.01935   0.02032
     Eigenvalues ---    0.02123   0.02236   0.02266   0.02360   0.02478
     Eigenvalues ---    0.02537   0.02617   0.02854   0.03083   0.03204
     Eigenvalues ---    0.03374   0.03884   0.04478   0.04690   0.05114
     Eigenvalues ---    0.05577   0.05917   0.06021   0.06250   0.06312
     Eigenvalues ---    0.06495   0.06609   0.06895   0.07041   0.07246
     Eigenvalues ---    0.07415   0.07648   0.07708   0.07893   0.08146
     Eigenvalues ---    0.08314   0.08488   0.08600   0.08835   0.09045
     Eigenvalues ---    0.09226   0.09372   0.09472   0.09610   0.09730
     Eigenvalues ---    0.09957   0.10180   0.10437   0.10587   0.10770
     Eigenvalues ---    0.10909   0.11144   0.11255   0.11416   0.12919
     Eigenvalues ---    0.13264   0.14131   0.14389   0.14791   0.15220
     Eigenvalues ---    0.15335   0.15431   0.21006   0.22341   0.22952
     Eigenvalues ---    0.23358   0.24634   0.24891   0.25319   0.25974
     Eigenvalues ---    0.27061   0.27579   0.28128   0.28728   0.29395
     Eigenvalues ---    0.29727   0.30571   0.32784   0.32815   0.32863
     Eigenvalues ---    0.32946   0.33249   0.33302   0.33365   0.33376
     Eigenvalues ---    0.33391   0.33424   0.33458   0.33512   0.33735
     Eigenvalues ---    0.33813   0.33823   0.33838   0.33956   0.33978
     Eigenvalues ---    0.34085   0.34255   0.34284   0.36060   0.37028
     Eigenvalues ---    0.39764   0.40867   0.86177   0.86346   0.86952
     Eigenvalues ---    0.90469
 Eigenvalue     1 is   1.45D-05 Eigenvector:
                         D399      D397      D395      D379      D407
   1                   -0.22963  -0.22753  -0.22334  -0.22244  -0.22240
                         D401      D377      D393      D381      D405
   1                   -0.22192  -0.22164  -0.22150  -0.22083  -0.21941
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   127  126  125  124  123
 RFO step:  Lambda=-9.71467039D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  4.43D-06 SmlDif=  1.00D-05
 RMS Error=  0.3534036107D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.02806   -1.13566   -0.34505    0.55146   -0.09880
 Iteration  1 RMS(Cart)=  0.00117471 RMS(Int)=  0.00000253
 Iteration  2 RMS(Cart)=  0.00000126 RMS(Int)=  0.00000121
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000121
 ITry= 1 IFail=0 DXMaxC= 1.18D-02 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58030   0.00001   0.00047   0.00083   0.00130   6.58160
    R2        6.25326   0.00000  -0.00074  -0.00007  -0.00081   6.25245
    R3        7.18361  -0.00002  -0.00626  -0.00133  -0.00759   7.17602
    R4        6.23775  -0.00002  -0.01040  -0.00233  -0.01273   6.22502
    R5        6.54315   0.00000   0.00002   0.00015   0.00017   6.54332
    R6        5.94619  -0.00001   0.00001  -0.00008  -0.00008   5.94611
    R7        6.68865   0.00000  -0.00040   0.00042   0.00002   6.68867
    R8        6.21459   0.00000   0.00135   0.00000   0.00135   6.21594
    R9        6.63742   0.00000   0.00107   0.00001   0.00108   6.63850
   R10        6.06297   0.00001   0.00089   0.00052   0.00141   6.06438
   R11        6.93196   0.00001   0.00220   0.00025   0.00245   6.93441
   R12        6.01151   0.00001   0.00188   0.00016   0.00204   6.01354
   R13        6.89089  -0.00001  -0.00014  -0.00006  -0.00020   6.89069
   R14        6.19271   0.00000   0.00083  -0.00004   0.00079   6.19350
   R15        6.83531  -0.00001  -0.00015   0.00019   0.00004   6.83535
   R16        5.92780   0.00000  -0.00032   0.00022  -0.00011   5.92769
   R17        6.68651   0.00001   0.00116   0.00014   0.00129   6.68781
   R18        6.54326   0.00001   0.00041   0.00010   0.00050   6.54376
   R19        6.22521   0.00000   0.00002   0.00054   0.00055   6.22576
   R20        6.56059   0.00001  -0.00077  -0.00005  -0.00082   6.55978
   R21        6.01556   0.00001  -0.00150   0.00057  -0.00093   6.01463
   R22        7.04277  -0.00001   0.00213   0.00076   0.00289   7.04566
   R23        6.05875   0.00001   0.00401   0.00050   0.00451   6.06326
   R24        2.34943   0.00001  -0.00003   0.00000  -0.00003   2.34940
   R25        2.57226  -0.00002   0.00008  -0.00006   0.00002   2.57228
   R26        2.09468   0.00001   0.00002   0.00002   0.00003   2.09471
   R27        2.76529   0.00001   0.00017  -0.00007   0.00011   2.76539
   R28        2.76808   0.00000   0.00009  -0.00001   0.00008   2.76816
   R29        2.07670   0.00000   0.00001   0.00001   0.00002   2.07672
   R30        2.08265   0.00001   0.00005   0.00000   0.00006   2.08271
   R31        2.08258   0.00000  -0.00007   0.00000  -0.00007   2.08252
   R32        2.08121   0.00001   0.00000  -0.00003  -0.00004   2.08117
   R33        2.07446   0.00000   0.00000   0.00001   0.00001   2.07447
   R34        2.08337   0.00000  -0.00001   0.00000  -0.00001   2.08336
   R35        2.34848   0.00001   0.00005  -0.00001   0.00004   2.34852
   R36        2.57143   0.00001  -0.00008  -0.00003  -0.00011   2.57132
   R37        2.09432   0.00000   0.00002   0.00000   0.00001   2.09434
   R38        2.76972  -0.00001   0.00003  -0.00006  -0.00004   2.76968
   R39        2.76523   0.00000  -0.00003  -0.00001  -0.00004   2.76519
   R40        2.08101   0.00000  -0.00003  -0.00001  -0.00004   2.08097
   R41        2.08406   0.00000  -0.00001   0.00000  -0.00001   2.08406
   R42        2.07373   0.00000  -0.00002   0.00002   0.00000   2.07373
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08380   0.00002  -0.00012   0.00006  -0.00006   2.08374
   R45        2.07668   0.00000  -0.00001   0.00000  -0.00001   2.07667
   R46        2.34807   0.00000   0.00000  -0.00001  -0.00001   2.34807
   R47        2.57214   0.00000   0.00001   0.00001   0.00002   2.57216
   R48        2.09355   0.00000   0.00000   0.00001   0.00000   2.09355
   R49        2.76602   0.00001  -0.00010   0.00002  -0.00008   2.76594
   R50        2.76864   0.00000  -0.00003   0.00000  -0.00002   2.76862
   R51        2.08444   0.00000   0.00001   0.00000   0.00001   2.08445
   R52        2.08312  -0.00003  -0.00001  -0.00004  -0.00005   2.08306
   R53        2.07644   0.00000   0.00000  -0.00001  -0.00001   2.07642
   R54        2.08519   0.00000   0.00000   0.00000   0.00000   2.08519
   R55        2.07376   0.00001   0.00002  -0.00001   0.00001   2.07377
   R56        2.07735   0.00000   0.00001   0.00001   0.00002   2.07737
   R57        2.34924   0.00006   0.00004   0.00003   0.00006   2.34930
   R58        2.57252  -0.00001  -0.00002  -0.00004  -0.00005   2.57246
   R59        2.09449  -0.00001  -0.00003  -0.00002  -0.00005   2.09445
   R60        2.77043  -0.00001   0.00001  -0.00009  -0.00008   2.77035
   R61        2.76539  -0.00002  -0.00003   0.00001  -0.00002   2.76537
   R62        2.07422   0.00000  -0.00001   0.00003   0.00002   2.07424
   R63        2.08315  -0.00001   0.00000   0.00001   0.00000   2.08315
   R64        2.08072  -0.00001   0.00017  -0.00012   0.00005   2.08077
   R65        2.07607   0.00001  -0.00002   0.00004   0.00001   2.07609
   R66        2.08579   0.00000  -0.00004   0.00002  -0.00002   2.08578
   R67        2.08209   0.00000   0.00003  -0.00001   0.00002   2.08211
    A1        0.68533   0.00000   0.00043   0.00005   0.00048   0.68582
    A2        0.96282   0.00001   0.00046   0.00005   0.00051   0.96333
    A3        0.72740  -0.00001  -0.00003  -0.00008  -0.00011   0.72729
    A4        1.02090   0.00000   0.00000  -0.00008  -0.00008   1.02082
    A5        2.37562  -0.00001  -0.00065  -0.00065  -0.00130   2.37432
    A6        2.04224  -0.00001  -0.00061  -0.00043  -0.00104   2.04120
    A7        1.97192  -0.00001  -0.00051  -0.00001  -0.00052   1.97141
    A8        1.67091   0.00000  -0.00044   0.00007  -0.00037   1.67054
    A9        1.68024  -0.00001  -0.00053  -0.00055  -0.00108   1.67916
   A10        1.39499  -0.00001  -0.00040  -0.00053  -0.00093   1.39406
   A11        1.73998   0.00000   0.00012   0.00000   0.00012   1.74010
   A12        2.04770   0.00000   0.00003  -0.00015  -0.00012   2.04758
   A13        1.95712   0.00000  -0.00016  -0.00040  -0.00056   1.95656
   A14        2.05202   0.00000  -0.00017  -0.00054  -0.00071   2.05130
   A15        2.43881   0.00000   0.00007   0.00000   0.00006   2.43887
   A16        1.61078   0.00001   0.00112   0.00089   0.00201   1.61279
   A17        1.80911   0.00001   0.00092   0.00077   0.00169   1.81080
   A18        1.58292   0.00001   0.00060   0.00056   0.00116   1.58408
   A19        1.71756   0.00001   0.00030   0.00041   0.00071   1.71826
   A20        2.20979   0.00000   0.00073   0.00071   0.00144   2.21123
   A21        2.42868   0.00001   0.00052   0.00065   0.00117   2.42985
   A22        0.64988   0.00001   0.00066   0.00014   0.00080   0.65068
   A23        0.66194   0.00000   0.00005   0.00000   0.00005   0.66199
   A24        2.45396  -0.00001  -0.00026  -0.00060  -0.00085   2.45311
   A25        2.26151  -0.00001  -0.00033  -0.00037  -0.00070   2.26080
   A26        2.32835  -0.00001  -0.00040  -0.00002  -0.00043   2.32792
   A27        2.04918  -0.00001  -0.00037   0.00007  -0.00030   2.04887
   A28        1.85407   0.00000  -0.00018  -0.00038  -0.00056   1.85351
   A29        1.60569  -0.00001  -0.00011  -0.00035  -0.00046   1.60523
   A30        1.34387   0.00000   0.00006   0.00002   0.00007   1.34394
   A31        1.64873   0.00000   0.00008  -0.00008   0.00000   1.64872
   A32        1.60798   0.00000   0.00007  -0.00021  -0.00014   1.60784
   A33        1.76990   0.00001   0.00016  -0.00030  -0.00015   1.76975
   A34        2.04082   0.00000   0.00001   0.00000   0.00001   2.04083
   A35        1.87670   0.00000   0.00096   0.00068   0.00163   1.87833
   A36        1.94110   0.00000   0.00066   0.00049   0.00115   1.94225
   A37        1.58881   0.00000   0.00040   0.00035   0.00075   1.58956
   A38        1.60076   0.00000   0.00006   0.00021   0.00026   1.60102
   A39        2.29087   0.00000   0.00031   0.00032   0.00063   2.29150
   A40        2.38284   0.00000  -0.00007   0.00020   0.00014   2.38298
   A41        0.69367   0.00000   0.00051   0.00009   0.00060   0.69428
   A42        0.75601   0.00000   0.00041   0.00010   0.00050   0.75651
   A43        2.72971   0.00000   0.00046  -0.00031   0.00015   2.72986
   A44        2.65003   0.00000   0.00025  -0.00026  -0.00001   2.65002
   A45        2.64836   0.00000  -0.00023   0.00001  -0.00021   2.64815
   A46        2.33469   0.00000  -0.00021   0.00003  -0.00018   2.33451
   A47        2.24056   0.00000   0.00041  -0.00024   0.00016   2.24073
   A48        1.99667   0.00000   0.00041  -0.00026   0.00015   1.99682
   A49        1.10843   0.00000   0.00014   0.00014   0.00028   1.10872
   A50        1.47211   0.00000   0.00024   0.00012   0.00036   1.47247
   A51        1.58610   0.00000   0.00049   0.00005   0.00054   1.58664
   A52        1.83054   0.00000   0.00063  -0.00001   0.00063   1.83116
   A53        1.78794   0.00000   0.00000   0.00018   0.00019   1.78813
   A54        1.73151   0.00000   0.00041   0.00036   0.00077   1.73228
   A55        1.66237   0.00000   0.00002   0.00020   0.00022   1.66259
   A56        1.25911   0.00000  -0.00018   0.00014  -0.00003   1.25908
   A57        1.22108   0.00000  -0.00052   0.00006  -0.00046   1.22063
   A58        1.95040   0.00000  -0.00039   0.00004  -0.00035   1.95005
   A59        1.99822   0.00000  -0.00068   0.00004  -0.00064   1.99758
   A60        0.84787   0.00000   0.00089   0.00023   0.00112   0.84899
   A61        0.79096   0.00000   0.00092   0.00029   0.00121   0.79217
   A62        2.65631   0.00000   0.00089   0.00016   0.00105   2.65736
   A63        2.83300   0.00000   0.00097   0.00005   0.00102   2.83402
   A64        2.58499   0.00000  -0.00048  -0.00013  -0.00061   2.58438
   A65        2.44696   0.00000   0.00095   0.00002   0.00098   2.44794
   A66        2.24061   0.00000   0.00077  -0.00008   0.00070   2.24131
   A67        0.87195   0.00000   0.00052   0.00032   0.00084   0.87279
   A68        1.24985   0.00000   0.00062   0.00032   0.00094   1.25080
   A69        1.44417   0.00000   0.00101   0.00034   0.00135   1.44552
   A70        1.72211   0.00000   0.00113   0.00032   0.00145   1.72355
   A71        1.52537   0.00000   0.00017   0.00030   0.00047   1.52584
   A72        1.74164   0.00000  -0.00026  -0.00005  -0.00031   1.74133
   A73        1.56746   0.00000  -0.00059  -0.00016  -0.00076   1.56670
   A74        1.13664   0.00000  -0.00068  -0.00016  -0.00084   1.13580
   A75        1.02230   0.00000  -0.00094  -0.00017  -0.00111   1.02119
   A76        1.77848   0.00000  -0.00093  -0.00028  -0.00120   1.77727
   A77        1.77009   0.00000  -0.00108  -0.00018  -0.00127   1.76883
   A78        2.06210  -0.00001  -0.00012  -0.00052  -0.00064   2.06146
   A79        1.99438   0.00000  -0.00008  -0.00027  -0.00035   1.99403
   A80        2.25516  -0.00001  -0.00015   0.00000  -0.00015   2.25501
   A81        2.09056   0.00000  -0.00018   0.00018   0.00000   2.09056
   A82        1.59939   0.00000   0.00009  -0.00019  -0.00010   1.59930
   A83        1.42368   0.00000   0.00014  -0.00012   0.00002   1.42370
   A84        1.18949   0.00000  -0.00031  -0.00016  -0.00048   1.18901
   A85        1.38574   0.00000  -0.00025  -0.00027  -0.00052   1.38522
   A86        1.22986   0.00000  -0.00014  -0.00032  -0.00046   1.22940
   A87        1.34960   0.00001   0.00004  -0.00036  -0.00032   1.34929
   A88        1.81198   0.00000  -0.00033  -0.00027  -0.00060   1.81138
   A89        2.30654   0.00000   0.00101   0.00070   0.00172   2.30825
   A90        2.34973   0.00000   0.00058   0.00036   0.00094   2.35067
   A91        1.95218   0.00000   0.00033   0.00022   0.00055   1.95273
   A92        1.86953   0.00000  -0.00007   0.00003  -0.00003   1.86949
   A93        2.62633   0.00000  -0.00003  -0.00004  -0.00007   2.62626
   A94        2.56184   0.00000  -0.00057  -0.00028  -0.00085   2.56099
   A95        1.97407  -0.00001   0.00006  -0.00039  -0.00033   1.97374
   A96        2.04517   0.00000   0.00011  -0.00019  -0.00008   2.04509
   A97        2.41228   0.00000   0.00001  -0.00003  -0.00002   2.41226
   A98        2.34191   0.00000  -0.00009   0.00018   0.00009   2.34200
   A99        1.70554   0.00000   0.00027  -0.00005   0.00022   1.70577
   A100       1.60249   0.00000   0.00026   0.00000   0.00027   1.60276
   A101       0.88364   0.00000  -0.00038  -0.00018  -0.00056   0.88308
   A102       1.06532   0.00000  -0.00023  -0.00024  -0.00047   1.06485
   A103       0.94729   0.00000  -0.00001  -0.00023  -0.00025   0.94704
   A104       1.12031   0.00000   0.00020  -0.00023  -0.00003   1.12028
   A105       1.49123   0.00000  -0.00032  -0.00025  -0.00057   1.49066
   A106       2.48659   0.00000   0.00083   0.00048   0.00132   2.48791
   A107       2.35476   0.00000   0.00027   0.00006   0.00033   2.35509
   A108       1.92115   0.00001   0.00022   0.00007   0.00029   1.92144
   A109       1.74376   0.00001  -0.00014  -0.00007  -0.00022   1.74354
   A110       2.46148   0.00000  -0.00039  -0.00038  -0.00076   2.46072
   A111       2.29710   0.00000  -0.00071  -0.00043  -0.00113   2.29596
   A112       0.71522   0.00000  -0.00001  -0.00003  -0.00004   0.71517
   A113       1.00725   0.00000  -0.00010  -0.00005  -0.00015   1.00710
   A114       0.69762   0.00000  -0.00010  -0.00006  -0.00016   0.69746
   A115       0.98657   0.00000  -0.00023  -0.00006  -0.00029   0.98628
   A116       1.81676   0.00000   0.00000  -0.00012  -0.00011   1.81665
   A117       1.43594   0.00000  -0.00001  -0.00012  -0.00013   1.43580
   A118       1.21219   0.00000  -0.00011  -0.00019  -0.00030   1.21189
   A119       0.93797   0.00000  -0.00018  -0.00019  -0.00037   0.93760
   A120       1.24821   0.00000   0.00009  -0.00006   0.00004   1.24824
   A121       1.82030   0.00000  -0.00087  -0.00006  -0.00093   1.81937
   A122       1.87118   0.00000  -0.00046   0.00014  -0.00032   1.87086
   A123       2.24015   0.00000  -0.00013   0.00025   0.00011   2.24027
   A124       2.18175   0.00001   0.00033   0.00032   0.00064   2.18239
   A125       1.53835   0.00001  -0.00006   0.00028   0.00023   1.53858
   A126       1.41627   0.00000   0.00027   0.00026   0.00054   1.41680
   A127       0.65739   0.00000  -0.00017  -0.00003  -0.00020   0.65720
   A128       0.66255   0.00000  -0.00023   0.00001  -0.00022   0.66233
   A129       2.17890   0.00001  -0.00004  -0.00010  -0.00014   2.17876
   A130       1.80539   0.00001  -0.00003  -0.00011  -0.00014   1.80525
   A131       1.51671   0.00000  -0.00013  -0.00013  -0.00026   1.51646
   A132       1.22258   0.00001  -0.00014  -0.00012  -0.00026   1.22232
   A133       1.64255   0.00001   0.00011  -0.00009   0.00001   1.64256
   A134       1.67978   0.00000  -0.00074  -0.00006  -0.00080   1.67899
   A135       1.88182   0.00000  -0.00040   0.00010  -0.00030   1.88152
   A136       2.31344   0.00000  -0.00031   0.00010  -0.00021   2.31324
   A137       2.40836   0.00000   0.00020   0.00020   0.00040   2.40876
   A138       1.66099   0.00000   0.00008   0.00026   0.00034   1.66133
   A139       1.63490   0.00000   0.00043   0.00022   0.00065   1.63555
   A140       0.70775   0.00000  -0.00026   0.00000  -0.00026   0.70749
   A141       0.83333   0.00000  -0.00028   0.00008  -0.00020   0.83313
   A142       2.51184   0.00001   0.00009  -0.00019  -0.00010   2.51174
   A143       2.13409   0.00001   0.00004  -0.00020  -0.00016   2.13393
   A144       1.91978   0.00000  -0.00015  -0.00019  -0.00034   1.91944
   A145       1.63266   0.00000  -0.00020  -0.00017  -0.00037   1.63229
   A146       1.84664   0.00000   0.00023  -0.00020   0.00003   1.84667
   A147       1.25598   0.00000  -0.00061  -0.00005  -0.00066   1.25531
   A148       1.50469   0.00000  -0.00024   0.00008  -0.00016   1.50453
   A149       1.93514   0.00000  -0.00026   0.00003  -0.00023   1.93491
   A150       2.12534   0.00000   0.00015   0.00008   0.00023   2.12557
   A151       1.38158   0.00000   0.00030   0.00024   0.00054   1.38211
   A152       1.45677   0.00000   0.00066   0.00017   0.00083   1.45760
   A153       0.76760   0.00000  -0.00036  -0.00003  -0.00039   0.76721
   A154       0.76479   0.00000  -0.00034   0.00007  -0.00027   0.76452
   A155       2.82292   0.00000  -0.00006  -0.00017  -0.00023   2.82269
   A156       2.44173   0.00001  -0.00009  -0.00018  -0.00027   2.44146
   A157       2.17112   0.00000  -0.00032  -0.00014  -0.00046   2.17065
   A158       1.87560   0.00000  -0.00032  -0.00013  -0.00045   1.87515
   A159       2.15983   0.00000   0.00020  -0.00020   0.00000   2.15984
   A160       1.14189   0.00000  -0.00024  -0.00001  -0.00024   1.14164
   A161       1.47692   0.00000   0.00003   0.00008   0.00011   1.47703
   A162       1.86919   0.00000  -0.00015  -0.00002  -0.00018   1.86902
   A163       2.13664   0.00000   0.00014   0.00001   0.00015   2.13679
   A164       1.47817   0.00000   0.00050   0.00023   0.00073   1.47890
   A165       1.62741   0.00000   0.00078   0.00016   0.00094   1.62835
   A166       2.16171   0.00001  -0.00009  -0.00001  -0.00010   2.16161
   A167       1.85966   0.00001  -0.00007  -0.00001  -0.00008   1.85958
   A168       1.47481   0.00000  -0.00010  -0.00002  -0.00011   1.47470
   A169       1.19407   0.00001  -0.00004   0.00000  -0.00004   1.19402
   A170       1.86016   0.00001  -0.00001  -0.00003  -0.00004   1.86012
   A171       1.90857   0.00000  -0.00063  -0.00004  -0.00067   1.90790
   A172       2.20934   0.00000  -0.00046   0.00007  -0.00039   2.20895
   A173       2.63029   0.00000  -0.00052  -0.00002  -0.00054   2.62975
   A174       2.05718   0.00000  -0.00004   0.00025   0.00020   2.05739
   A175       2.04435   0.00000   0.00027   0.00020   0.00047   2.04482
   A176       2.26852   0.00001  -0.00024  -0.00003  -0.00027   2.26825
   A177       2.04518   0.00001  -0.00023  -0.00004  -0.00027   2.04491
   A178       1.63350   0.00001  -0.00024  -0.00003  -0.00027   1.63323
   A179       1.38228   0.00001  -0.00016  -0.00002  -0.00018   1.38211
   A180       2.12607   0.00001  -0.00019  -0.00004  -0.00024   2.12583
   A181       1.86224   0.00000  -0.00027   0.00008  -0.00019   1.86204
   A182       2.23363   0.00000  -0.00022   0.00014  -0.00008   2.23354
   A183       2.56747   0.00000  -0.00034  -0.00006  -0.00040   2.56707
   A184       2.21197   0.00000   0.00006   0.00032   0.00037   2.21235
   A185       2.27169   0.00000   0.00029   0.00026   0.00055   2.27223
   A186       0.69311   0.00000   0.00002   0.00001   0.00003   0.69314
   A187       0.98505   0.00000   0.00000   0.00000   0.00000   0.98505
   A188       0.69897   0.00000  -0.00004   0.00000  -0.00003   0.69893
   A189       2.15067  -0.00001   0.00046  -0.00007   0.00039   2.15106
   A190       1.76329   0.00000   0.00035  -0.00013   0.00022   1.76351
   A191       1.44038   0.00000   0.00062   0.00008   0.00070   1.44108
   A192       1.13212   0.00000   0.00046   0.00005   0.00051   1.13263
   A193       1.63707   0.00000  -0.00005  -0.00032  -0.00037   1.63670
   A194       1.42125   0.00000  -0.00030  -0.00028  -0.00057   1.42068
   A195       0.66867   0.00000  -0.00005  -0.00001  -0.00007   0.66861
   A196       2.26636  -0.00001   0.00000  -0.00020  -0.00020   2.26616
   A197       1.86719   0.00000   0.00010  -0.00014  -0.00005   1.86715
   A198       1.66152   0.00000   0.00052   0.00011   0.00063   1.66215
   A199       1.34075   0.00000   0.00048   0.00012   0.00060   1.34135
   A200       1.60780   0.00000  -0.00017  -0.00028  -0.00045   1.60735
   A201       1.33989   0.00000  -0.00030  -0.00023  -0.00054   1.33935
   A202       0.71276   0.00000  -0.00009  -0.00004  -0.00013   0.71264
   A203       2.63223  -0.00001  -0.00035  -0.00030  -0.00065   2.63158
   A204       2.25630   0.00000  -0.00003  -0.00017  -0.00020   2.25610
   A205       2.07723   0.00000   0.00053   0.00010   0.00063   2.07786
   A206       1.75623   0.00000   0.00047   0.00011   0.00059   1.75682
   A207       1.93633   0.00000  -0.00025  -0.00026  -0.00051   1.93582
   A208       1.65429   0.00000  -0.00029  -0.00021  -0.00049   1.65379
   A209       0.83319  -0.00001  -0.00017  -0.00004  -0.00021   0.83298
   A210       2.61989  -0.00001  -0.00098  -0.00036  -0.00134   2.61855
   A211       2.35373  -0.00001  -0.00041  -0.00017  -0.00058   2.35315
   A212       2.30441  -0.00001   0.00033   0.00010   0.00043   2.30484
   A213       1.99108   0.00000   0.00038   0.00013   0.00051   1.99159
   A214       1.97064  -0.00001  -0.00043  -0.00018  -0.00060   1.97003
   A215       1.69681  -0.00001  -0.00035  -0.00014  -0.00049   1.69632
   A216       1.91983   0.00000  -0.00023  -0.00025  -0.00048   1.91935
   A217       1.55227   0.00000  -0.00004  -0.00013  -0.00017   1.55210
   A218       1.48817   0.00000   0.00036   0.00015   0.00051   1.48868
   A219       1.19799   0.00000   0.00045   0.00020   0.00066   1.19865
   A220       1.22664   0.00000  -0.00015  -0.00023  -0.00037   1.22627
   A221       0.94669   0.00000  -0.00021  -0.00019  -0.00039   0.94630
   A222       0.72865   0.00000   0.00003  -0.00004  -0.00001   0.72865
   A223       1.02120   0.00000   0.00008  -0.00008   0.00001   1.02121
   A224       0.69682   0.00000  -0.00017  -0.00006  -0.00023   0.69659
   A225       0.97926   0.00000  -0.00015  -0.00011  -0.00026   0.97899
   A226       0.65978   0.00000   0.00010  -0.00008   0.00003   0.65981
   A227       0.66020   0.00000  -0.00016  -0.00005  -0.00021   0.65999
   A228       0.70244   0.00000  -0.00011  -0.00005  -0.00016   0.70229
   A229       0.84984   0.00000  -0.00016   0.00004  -0.00012   0.84972
   A230       0.75760   0.00000   0.00000  -0.00011  -0.00011   0.75748
   A231       0.78240   0.00000  -0.00011   0.00001  -0.00009   0.78231
   A232       1.59629   0.00002   0.00124   0.00049   0.00173   1.59802
   A233       1.85243   0.00000  -0.00084  -0.00029  -0.00114   1.85129
   A234       2.19099   0.00001   0.00004  -0.00005  -0.00001   2.19097
   A235       2.12928  -0.00001   0.00002  -0.00001   0.00001   2.12929
   A236       1.96252  -0.00001  -0.00005   0.00006   0.00001   1.96252
   A237       2.12174   0.00002  -0.00012   0.00003  -0.00009   2.12165
   A238       2.12687  -0.00001  -0.00011  -0.00007  -0.00019   2.12668
   A239       2.03294  -0.00001   0.00013   0.00005   0.00018   2.03312
   A240       1.83583   0.00001   0.00061   0.00044   0.00104   1.83687
   A241       2.53682   0.00000  -0.00079  -0.00046  -0.00126   2.53557
   A242       1.91318   0.00000  -0.00012  -0.00002  -0.00015   1.91303
   A243       1.91791   0.00001   0.00013   0.00010   0.00023   1.91814
   A244       1.91694   0.00000   0.00001   0.00006   0.00009   1.91703
   A245       1.90925   0.00000  -0.00034  -0.00001  -0.00034   1.90891
   A246       1.90834   0.00000   0.00002  -0.00002  -0.00001   1.90833
   A247       1.89809   0.00000   0.00030  -0.00011   0.00018   1.89827
   A248       1.31628   0.00001   0.00021   0.00012   0.00033   1.31661
   A249       1.90749   0.00001  -0.00005  -0.00001  -0.00006   1.90742
   A250       1.90919   0.00000   0.00005  -0.00007  -0.00002   1.90917
   A251       1.92642   0.00000   0.00008   0.00003   0.00010   1.92652
   A252       1.91011   0.00000  -0.00008   0.00001  -0.00007   1.91004
   A253       1.89604   0.00000   0.00003   0.00003   0.00005   1.89610
   A254       1.91446   0.00000  -0.00003   0.00003  -0.00001   1.91446
   A255       1.72555   0.00000  -0.00035   0.00003  -0.00032   1.72523
   A256       1.76285   0.00001  -0.00033   0.00012  -0.00021   1.76264
   A257       2.19038  -0.00001   0.00015  -0.00006   0.00009   2.19047
   A258       2.13026   0.00000  -0.00011   0.00004  -0.00007   2.13020
   A259       1.96231   0.00001  -0.00004   0.00002  -0.00003   1.96229
   A260       2.12341   0.00001   0.00016   0.00002   0.00018   2.12359
   A261       2.12340  -0.00001   0.00013  -0.00010   0.00003   2.12343
   A262       2.03588   0.00000  -0.00031   0.00009  -0.00021   2.03567
   A263       1.34516   0.00000  -0.00006  -0.00029  -0.00035   1.34481
   A264       1.89997   0.00000  -0.00016   0.00002  -0.00014   1.89983
   A265       1.93103   0.00000  -0.00004  -0.00002  -0.00006   1.93097
   A266       1.90879   0.00000   0.00001  -0.00001   0.00000   1.90879
   A267       1.89684   0.00000   0.00000   0.00003   0.00003   1.89687
   A268       1.91472   0.00000   0.00018  -0.00004   0.00015   1.91486
   A269       1.91238   0.00000   0.00001   0.00001   0.00002   1.91240
   A270       2.67853   0.00001  -0.00059  -0.00016  -0.00074   2.67779
   A271       1.68467  -0.00001   0.00067   0.00018   0.00085   1.68552
   A272       1.92544   0.00000  -0.00023   0.00004  -0.00019   1.92525
   A273       1.91242   0.00000  -0.00015   0.00006  -0.00008   1.91234
   A274       1.91460   0.00000   0.00005  -0.00003   0.00002   1.91462
   A275       1.89337   0.00000   0.00006   0.00002   0.00008   1.89345
   A276       1.91065   0.00000  -0.00002  -0.00002  -0.00003   1.91062
   A277       1.90713   0.00000   0.00029  -0.00008   0.00021   1.90734
   A278       1.81742   0.00000   0.00021  -0.00007   0.00014   1.81756
   A279       1.74555  -0.00001  -0.00075   0.00000  -0.00075   1.74480
   A280       2.18977   0.00000  -0.00014   0.00006  -0.00007   2.18970
   A281       2.13035   0.00000   0.00011  -0.00002   0.00009   2.13044
   A282       1.96298  -0.00001   0.00002  -0.00004  -0.00002   1.96296
   A283       2.12370   0.00001   0.00008   0.00007   0.00016   2.12385
   A284       2.11463   0.00000   0.00005   0.00003   0.00008   2.11471
   A285       2.04242  -0.00001  -0.00009  -0.00011  -0.00020   2.04222
   A286       2.71369   0.00001   0.00014  -0.00011   0.00003   2.71372
   A287       1.64346  -0.00002  -0.00021   0.00013  -0.00008   1.64338
   A288       1.92692   0.00000   0.00001  -0.00006  -0.00006   1.92686
   A289       1.91520   0.00000   0.00002  -0.00002   0.00000   1.91520
   A290       1.91161  -0.00001   0.00012  -0.00001   0.00011   1.91171
   A291       1.89025   0.00000  -0.00014   0.00001  -0.00013   1.89012
   A292       1.91296   0.00001  -0.00002   0.00001  -0.00001   1.91295
   A293       1.90669   0.00000   0.00001   0.00008   0.00008   1.90678
   A294       1.34911   0.00001   0.00127   0.00012   0.00139   1.35050
   A295       1.15547  -0.00001  -0.00109  -0.00004  -0.00113   1.15435
   A296       1.93404   0.00000   0.00001  -0.00005  -0.00004   1.93400
   A297       1.90765   0.00000   0.00003  -0.00001   0.00001   1.90766
   A298       1.90133   0.00000  -0.00003   0.00002  -0.00001   1.90132
   A299       1.90866   0.00000   0.00002   0.00003   0.00006   1.90872
   A300       1.89873   0.00000  -0.00004   0.00000  -0.00005   1.89869
   A301       1.91332   0.00000   0.00002   0.00000   0.00003   1.91335
   A302       1.61514   0.00001  -0.00041  -0.00036  -0.00077   1.61436
   A303       1.82873  -0.00001   0.00056   0.00032   0.00089   1.82962
   A304       2.18856   0.00000   0.00000  -0.00004  -0.00004   2.18853
   A305       2.13003   0.00000  -0.00023   0.00010  -0.00013   2.12990
   A306       1.96423   0.00000   0.00022  -0.00006   0.00016   1.96440
   A307       2.12557   0.00001   0.00004  -0.00007  -0.00003   2.12554
   A308       2.12346   0.00000   0.00001  -0.00002  -0.00001   2.12345
   A309       2.02962   0.00000   0.00002   0.00007   0.00009   2.02971
   A310       1.30563   0.00000  -0.00009  -0.00039  -0.00048   1.30516
   A311       3.03981  -0.00001  -0.00035   0.00041   0.00005   3.03986
   A312       1.91194   0.00000  -0.00027   0.00016  -0.00011   1.91183
   A313       1.92712   0.00000   0.00038   0.00011   0.00050   1.92761
   A314       1.90283   0.00000   0.00004   0.00006   0.00010   1.90292
   A315       1.91281   0.00000  -0.00001  -0.00021  -0.00022   1.91259
   A316       1.91237   0.00000   0.00001  -0.00008  -0.00007   1.91231
   A317       1.89664   0.00000  -0.00015  -0.00004  -0.00020   1.89644
   A318       1.79666   0.00000  -0.00018   0.00035   0.00017   1.79683
   A319       1.91603   0.00000  -0.00010   0.00004  -0.00007   1.91596
   A320       1.91388   0.00002   0.00019   0.00004   0.00023   1.91412
   A321       1.91973   0.00000  -0.00006   0.00000  -0.00006   1.91968
   A322       1.90786  -0.00001   0.00003  -0.00010  -0.00007   1.90780
   A323       1.90995   0.00000  -0.00002   0.00002   0.00000   1.90995
   A324       1.89620  -0.00001  -0.00004   0.00000  -0.00005   1.89616
   A325       2.93474   0.00000  -0.00005   0.00004  -0.00001   2.93473
   A326       3.39779   0.00000  -0.00023  -0.00014  -0.00038   3.39742
   A327       3.11255   0.00000  -0.00010  -0.00012  -0.00022   3.11233
   A328       3.23074   0.00001   0.00018   0.00015   0.00032   3.23107
   A329       3.25754   0.00000  -0.00005  -0.00028  -0.00033   3.25721
   A330       3.25777   0.00001   0.00129   0.00015   0.00144   3.25922
   A331       3.70661   0.00000  -0.00020   0.00037   0.00017   3.70678
   A332       3.28651   0.00000   0.00127   0.00035   0.00162   3.28814
   A333       2.93662  -0.00001  -0.00029   0.00007  -0.00023   2.93639
   A334       2.88074  -0.00001  -0.00023  -0.00003  -0.00026   2.88048
   A335       3.23555   0.00000  -0.00013   0.00001  -0.00012   3.23543
   A336       3.08038   0.00001  -0.00008   0.00017   0.00009   3.08046
   A337       3.10482   0.00000  -0.00060   0.00004  -0.00056   3.10426
   A338       3.05404   0.00000   0.00096  -0.00008   0.00088   3.05492
    D1        2.76092   0.00000   0.00011  -0.00010   0.00000   2.76093
    D2       -1.35806   0.00000   0.00039   0.00000   0.00039  -1.35767
    D3        2.78602   0.00000   0.00043   0.00004   0.00046   2.78648
    D4       -1.33296   0.00000   0.00072   0.00014   0.00085  -1.33211
    D5        1.66024   0.00000  -0.00051  -0.00029  -0.00081   1.65944
    D6       -2.45874   0.00000  -0.00023  -0.00019  -0.00042  -2.45916
    D7        1.83179   0.00000  -0.00060  -0.00035  -0.00095   1.83084
    D8       -2.28720   0.00000  -0.00032  -0.00025  -0.00056  -2.28776
    D9        0.23427   0.00000  -0.00107  -0.00004  -0.00111   0.23316
   D10        2.39847   0.00000  -0.00079   0.00006  -0.00072   2.39775
   D11       -0.03207   0.00000  -0.00103  -0.00030  -0.00133  -0.03340
   D12        2.13213   0.00000  -0.00074  -0.00020  -0.00094   2.13119
   D13       -0.50049   0.00000  -0.00084  -0.00032  -0.00116  -0.50165
   D14        1.66371   0.00000  -0.00056  -0.00021  -0.00077   1.66294
   D15       -0.60230   0.00000  -0.00084  -0.00057  -0.00142  -0.60372
   D16        1.56190   0.00000  -0.00056  -0.00047  -0.00103   1.56087
   D17        0.16970   0.00000  -0.00124  -0.00062  -0.00186   0.16783
   D18        2.33390   0.00000  -0.00096  -0.00052  -0.00148   2.33242
   D19        0.11382  -0.00001  -0.00118  -0.00071  -0.00189   0.11193
   D20        2.27802  -0.00001  -0.00089  -0.00061  -0.00151   2.27652
   D21        2.36828   0.00000  -0.00147  -0.00079  -0.00225   2.36603
   D22       -1.75070   0.00000  -0.00118  -0.00069  -0.00187  -1.75257
   D23        2.12958   0.00000  -0.00164  -0.00102  -0.00266   2.12692
   D24       -1.98940   0.00000  -0.00135  -0.00092  -0.00227  -1.99167
   D25        1.68106   0.00000  -0.00157  -0.00089  -0.00247   1.67860
   D26       -2.43792   0.00000  -0.00129  -0.00079  -0.00208  -2.44000
   D27        1.37208   0.00000  -0.00155  -0.00086  -0.00241   1.36967
   D28       -2.74691   0.00000  -0.00126  -0.00076  -0.00202  -2.74893
   D29        2.35168  -0.00001  -0.00201  -0.00151  -0.00351   2.34816
   D30       -1.76730  -0.00001  -0.00172  -0.00141  -0.00313  -1.77043
   D31       -1.74594   0.00000  -0.00071  -0.00065  -0.00136  -1.74729
   D32        0.41826   0.00000  -0.00042  -0.00055  -0.00097   0.41730
   D33       -2.10049   0.00000  -0.00085  -0.00074  -0.00158  -2.10207
   D34        0.06372   0.00000  -0.00056  -0.00063  -0.00119   0.06252
   D35       -2.47434   0.00000  -0.00074  -0.00061  -0.00135  -2.47569
   D36       -0.31014   0.00000  -0.00045  -0.00051  -0.00096  -0.31110
   D37       -2.76692   0.00000  -0.00095  -0.00069  -0.00163  -2.76855
   D38       -0.60272   0.00000  -0.00066  -0.00058  -0.00125  -0.60396
   D39       -2.13191   0.00000  -0.00119  -0.00096  -0.00215  -2.13406
   D40        0.03229   0.00000  -0.00091  -0.00086  -0.00176   0.03052
   D41       -2.37765   0.00000  -0.00172  -0.00112  -0.00284  -2.38049
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   D95        1.36123   0.00001  -0.00094  -0.00046  -0.00140   1.35983
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   D97       -1.87941   0.00000  -0.00059  -0.00057  -0.00116  -1.88057
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   D123       1.34158  -0.00001   0.00005  -0.00016  -0.00012   1.34146
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   D131       0.92904  -0.00001  -0.00002  -0.00025  -0.00026   0.92878
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   D480      -0.27535   0.00000   0.00019  -0.00014   0.00006  -0.27529
   D481       1.83283   0.00000   0.00025  -0.00023   0.00002   1.83285
   D482      -2.36790   0.00000   0.00032  -0.00017   0.00014  -2.36775
   D483       2.76555   0.00000   0.00101  -0.00041   0.00060   2.76615
   D484      -1.40946   0.00000   0.00107  -0.00050   0.00057  -1.40889
   D485       0.67300   0.00000   0.00114  -0.00045   0.00069   0.67369
   D486      -0.11310   0.00000   0.00111  -0.00049   0.00062  -0.11248
   D487       1.98324   0.00000   0.00121  -0.00057   0.00064   1.98388
   D488      -2.21567   0.00000   0.00124  -0.00054   0.00070  -2.21498
   D489       3.12906   0.00000   0.00029  -0.00022   0.00008   3.12914
   D490      -1.05779   0.00000   0.00039  -0.00029   0.00010  -1.05769
   D491       1.02648   0.00000   0.00042  -0.00027   0.00016   1.02664
         Item               Value     Threshold  Converged?
 Maximum Force            0.000064     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.011761     0.001800     NO 
 RMS     Displacement     0.001175     0.001200     YES
 Predicted change in Energy=-5.630547D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:43:27 2016, MaxMem=  2952790016 cpu:         8.2
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.785743   -0.577409    1.630002
      2          6           0       -2.042291    1.118609   -1.401141
      3          8           0       -2.564338    0.131684   -1.948050
      4          7           0       -0.754199    1.193504   -0.967492
      5          1           0       -2.615085    2.043338   -1.187836
      6          6           0       -0.259781    2.358680   -0.233050
      7          1           0       -1.031178    3.141291   -0.220507
      8          1           0       -0.012534    2.072443    0.802137
      9          1           0        0.648656    2.749433   -0.719365
     10          6           0        0.185115    0.082685   -1.139371
     11          1           0        0.728662   -0.083358   -0.196043
     12          1           0       -0.370047   -0.826063   -1.405927
     13          1           0        0.916120    0.316941   -1.930690
     14          6           0       -2.083445   -3.937298    2.702633
     15          8           0       -2.235209   -3.736693    3.919691
     16          7           0       -2.989664   -3.636764    1.733142
     17          1           0       -1.152113   -4.374095    2.290197
     18          6           0       -4.278961   -3.016209    2.050567
     19          1           0       -4.502515   -2.251438    1.290437
     20          1           0       -5.085073   -3.768777    2.042265
     21          1           0       -4.223312   -2.548031    3.041491
     22          6           0       -2.708396   -3.877637    0.317498
     23          1           0       -3.421089   -4.610665   -0.094875
     24          1           0       -2.811583   -2.934956   -0.245154
     25          1           0       -1.683916   -4.258364    0.202926
     26          6           0        1.610846    0.357084    2.571345
     27          8           0        1.464650    1.384643    3.254472
     28          7           0        1.206941   -0.892697    2.928527
     29          1           0        2.087944    0.378337    1.571705
     30          6           0        1.481997   -2.059109    2.088189
     31          1           0        2.229258   -2.712218    2.569597
     32          1           0        0.556512   -2.640182    1.943555
     33          1           0        1.857829   -1.727118    1.110495
     34          6           0        0.559976   -1.140375    4.219488
     35          1           0        1.302021   -1.442089    4.978376
     36          1           0        0.051070   -0.226537    4.551424
     37          1           0       -0.174424   -1.949743    4.101050
     38          6           0       -4.604977    0.977035    2.905409
     39          8           0       -4.857322    1.529851    1.820857
     40          7           0       -3.548368    1.269426    3.712374
     41          1           0       -5.228341    0.151659    3.303627
     42          6           0       -2.582764    2.318234    3.370639
     43          1           0       -2.686801    2.581631    2.310161
     44          1           0       -2.750530    3.213305    3.991838
     45          1           0       -1.564532    1.944152    3.559523
     46          6           0       -3.242971    0.468651    4.898522
     47          1           0       -4.037946   -0.271804    5.061921
     48          1           0       -2.281147   -0.053829    4.756527
     49          1           0       -3.162232    1.120970    5.782794
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.482832   0.000000
     3  O    3.729809   1.243247   0.000000
     4  N    3.308654   1.361192   2.316367   0.000000
     5  H    3.936539   1.108475   2.057892   2.057588   0.000000
     6  C    3.797386   2.465675   3.634792   1.463383   2.560960
     7  H    4.221668   2.550978   3.793773   2.104419   2.156383
     8  H    3.294138   3.143906   4.223953   2.110494   3.276296
     9  H    4.744861   3.219566   4.322685   2.109618   3.371950
    10  C    3.462576   2.470425   2.866331   1.464845   3.418718
    11  H    3.146547   3.251949   3.736258   2.103423   4.084990
    12  H    3.359001   2.564794   2.454809   2.102010   3.649825
    13  H    4.558339   3.110513   3.485428   2.118037   4.000212
    14  C    3.539494   6.511901   6.198123   6.446847   7.154467
    15  O    3.927566   7.205722   7.035841   7.098224   7.722688
    16  N    3.289333   5.773631   5.285194   5.968434   6.398123
    17  H    3.905402   6.677438   6.345011   6.462896   7.444491
    18  C    3.512941   5.832126   5.370112   6.265325   6.233358
    19  H    3.209132   4.965331   4.463587   5.569178   5.305595
    20  H    4.608727   6.708361   6.122934   7.241501   7.093312
    21  H    3.437643   6.159389   5.901575   6.488896   6.446260
    22  C    3.669531   5.325400   4.607398   5.584492   6.110048
    23  H    4.681528   6.035892   5.163154   6.446870   6.791168
    24  H    3.182230   4.284799   3.516428   4.668917   5.070570
    25  H    3.949220   5.622571   4.967330   5.653062   6.520180
    26  C    3.646398   5.450319   6.156939   4.337787   5.901982
    27  O    4.129602   5.834736   6.698424   4.773343   6.067308
    28  N    3.277458   5.774850   6.249232   4.835004   6.338189
    29  H    3.990276   5.142437   5.838942   3.897409   5.701385
    30  C    3.617111   5.890155   6.120754   4.991718   6.659467
    31  H    4.643327   6.977688   7.174641   6.055301   7.758949
    32  H    3.136798   5.662974   5.706797   4.988918   6.465292
    33  H    3.855818   5.442188   5.689060   4.435172   6.285350
    34  C    3.539034   6.592895   7.029793   5.837705   7.032510
    35  H    4.636115   7.644595   8.087080   6.821124   8.094078
    36  H    3.468674   6.451713   7.015115   5.755293   6.723081
    37  H    3.253571   6.570983   6.829029   5.992182   7.062141
    38  C    3.462808   5.013360   5.332438   5.465776   4.674540
    39  O    3.729821   4.298231   4.627884   4.972287   3.787285
    40  N    3.294529   5.332828   5.856891   5.451082   5.047971
    41  H    3.896670   5.763744   5.888754   6.272626   5.529990
    42  C    3.471284   4.949858   5.750634   4.840253   4.566871
    43  H    3.354707   4.040989   4.914224   4.050291   3.539900
    44  H    4.569310   5.828686   6.694276   5.714883   5.311892
    45  H    3.182807   5.051531   5.883708   4.659826   4.863222
    46  C    3.728402   6.445916   6.888370   6.413230   6.318041
    47  H    4.116294   6.905581   7.174539   7.020252   6.814974
    48  H    3.208538   6.272841   6.713119   6.054073   6.312296
    49  H    4.693069   7.270708   7.816784   7.167304   7.052646
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098950   0.000000
     8  H    1.102123   1.796072   0.000000
     9  H    1.102020   1.795621   1.791774   0.000000
    10  C    2.489880   3.417419   2.787051   2.739128   0.000000
    11  H    2.634756   3.673690   2.488616   2.881835   1.101309
    12  H    3.395642   4.193115   3.661242   3.780647   1.097761
    13  H    2.904036   3.833230   3.378243   2.730543   1.102466
    14  C    7.182153   7.730358   6.634572   7.992923   6.005633
    15  O    7.635519   8.117733   6.957406   8.479821   6.785258
    16  N    6.874846   7.320822   6.505775   7.748269   5.671406
    17  H    7.245225   7.924599   6.713480   7.940081   5.780398
    18  C    7.089297   7.322613   6.756874   8.074438   6.301335
    19  H    6.447868   6.588980   6.252545   7.455373   5.772866
    20  H    8.124422   8.324856   7.835076   9.109847   7.261642
    21  H    7.106898   7.293745   6.640342   8.120544   6.620763
    22  C    6.722385   7.236564   6.550267   7.500863   5.116544
    23  H    7.654066   8.112969   7.555581   8.433496   6.010259
    24  H    5.876599   6.331763   5.831427   6.671613   4.345801
    25  H    6.782588   7.440447   6.575080   7.443167   4.913221
    26  C    3.920493   4.746213   2.950918   4.180660   3.984648
    27  O    4.010639   4.624981   2.944332   4.280173   4.757958
    28  N    4.766371   5.585575   3.847169   5.184970   4.306192
    29  H    3.562403   4.535952   2.806107   3.597590   3.325373
    30  C    5.285716   6.220151   4.577911   5.630177   4.084890
    31  H    6.305882   7.258009   5.571582   6.568501   5.074096
    32  H    5.512945   6.374116   4.882159   6.012286   4.129936
    33  H    4.794072   5.815439   4.246175   4.984977   3.336953
    34  C    5.721930   6.370085   4.725278   6.287348   5.509425
    35  H    6.636567   7.312972   5.614353   7.103520   6.403065
    36  H    5.447124   5.940104   4.398466   6.082329   5.700766
    37  H    6.111809   6.732644   5.204519   6.782044   5.632232
    38  C    5.535304   5.217987   5.168579   6.624277   6.332858
    39  O    5.103222   4.626368   4.980379   6.185136   6.023571
    40  N    5.250491   5.030673   4.649349   6.280585   6.235919
    41  H    6.485800   6.242883   6.095204   7.581028   7.003606
    42  C    4.287711   3.997645   3.641937   5.230310   5.744478
    43  H    3.522508   3.075481   3.112092   4.509042   5.137305
    44  H    4.978343   4.550297   4.355730   5.827957   6.689402
    45  H    4.032099   4.000779   3.166755   4.884216   5.348451
    46  C    6.229339   6.183808   5.457861   7.204678   6.953912
    47  H    7.016459   6.970933   6.312306   8.032147   7.511054
    48  H    5.899322   6.045004   5.030392   6.813767   6.392393
    49  H    6.793124   6.683016   5.969326   7.710567   7.758811
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795158   0.000000
    13  H    1.790079   1.798905   0.000000
    14  C    5.582394   5.431002   6.968761   0.000000
    15  O    6.250653   6.349237   7.783944   1.242782   0.000000
    16  N    5.493122   4.961470   6.656620   1.360686   2.315208
    17  H    5.303690   5.182807   6.640730   1.108275   2.057822
    18  C    6.222954   5.658949   7.345009   2.468580   2.861755
    19  H    5.854521   5.136086   6.806897   3.269300   3.776193
    20  H    7.238222   6.540724   8.275976   3.078028   3.412841
    21  H    6.409234   6.131261   7.703532   2.573698   2.477238
    22  C    5.145255   4.213096   5.982136   2.466372   3.635872
    23  H    6.142245   5.034971   6.816370   3.173132   4.276316
    24  H    4.546137   3.428691   5.226054   3.197550   4.280295
    25  H    4.838428   4.011901   5.678549   2.551713   3.793469
    26  C    2.937800   4.598094   4.555500   5.666281   5.776607
    27  O    3.821356   5.474729   5.322291   6.420013   6.352917
    28  N    3.262930   4.612898   5.015954   4.488570   4.573742
    29  H    2.277222   4.044576   3.693740   6.107716   6.413749
    30  C    3.112687   4.142381   4.702895   4.076458   4.470605
    31  H    4.100177   5.110652   5.581462   4.485301   4.775329
    32  H    3.338392   3.920277   4.887092   3.037776   3.591818
    33  H    2.384115   3.479614   3.783358   4.790974   5.355645
    34  C    4.543418   5.710431   6.330505   4.136581   3.826722
    35  H    5.380474   6.628320   7.139909   4.781888   4.347185
    36  H    4.797715   6.002233   6.562125   4.663039   4.236432
    37  H    4.771159   5.623853   6.535215   3.090356   2.733663
    38  C    6.260283   6.306617   7.369267   5.527198   5.372504
    39  O    6.154149   6.008170   6.991273   6.193677   6.246364
    40  N    5.949684   6.378856   7.258310   5.502323   5.179633
    41  H    6.912945   6.836582   8.073400   5.193374   4.945468
    42  C    5.427192   6.131746   6.659689   6.310882   6.089696
    43  H    5.004859   5.548787   6.007885   6.558545   6.535728
    44  H    6.364834   7.149759   7.543845   7.296449   6.969450
    45  H    4.844978   5.810042   6.240505   5.966154   5.731625
    46  C    6.483300   7.048124   7.997449   5.057551   4.433803
    47  H    7.099454   7.456121   8.589878   4.777255   4.069399
    48  H    5.795495   6.498037   7.421513   4.397601   3.777021
    49  H    7.234359   7.953927   8.762264   6.019739   5.284640
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056832   0.000000
    18  C    1.465651   3.417375   0.000000
    19  H    2.098531   4.090279   1.101203   0.000000
    20  H    2.122198   3.986985   1.102835   1.790792   0.000000
    21  H    2.102143   3.651194   1.097369   1.797807   1.797583
    22  C    1.463277   2.561255   2.492440   2.609597   2.938582
    23  H    2.115717   3.300422   2.807339   2.941857   2.836368
    24  H    2.106633   3.354544   2.725827   2.384217   3.331111
    25  H    2.105451   2.157060   3.419208   3.626973   3.897529
    26  C    6.149641   5.486076   6.807359   6.768921   7.882765
    27  O    6.882578   6.398463   7.335254   7.258484   8.421761
    28  N    5.154642   4.253555   5.947708   6.093226   6.974721
    29  H    6.475276   5.796534   7.231164   7.101337   8.298925
    30  C    4.755082   3.512620   5.840042   6.040512   6.786124
    31  H    5.365779   3.778037   6.535955   6.867703   7.409037
    32  H    3.689554   2.458864   4.851251   5.115803   5.754211
    33  H    5.247153   4.178269   6.340794   6.384455   7.296605
    34  C    5.001381   4.136466   5.624791   5.953370   6.596618
    35  H    5.810912   4.673942   6.495943   6.924491   7.404674
    36  H    5.368279   4.874734   5.725882   5.955619   6.724828
    37  H    4.047048   3.180022   4.710525   5.169423   5.626895
    38  C    5.026986   6.398073   4.096711   3.611326   4.847499
    39  O    5.494520   6.986088   4.588455   3.834759   5.308140
    40  N    5.319794   6.293962   4.654249   4.378660   5.525777
    41  H    4.672285   6.174554   3.536505   3.217861   4.120847
    42  C    6.189424   6.928303   5.751170   5.375369   6.714003
    43  H    6.252448   7.123046   5.825648   5.262624   6.793464
    44  H    7.216809   7.938460   6.701602   6.342747   7.615799
    45  H    6.042623   6.457672   5.852371   5.602096   6.879959
    46  C    5.190205   5.884491   4.618265   4.690801   5.432066
    47  H    4.847950   5.730556   4.081433   4.284724   4.737469
    48  H    4.741336   5.101195   4.482095   4.666663   5.387955
    49  H    6.250240   6.814290   5.682680   5.775013   6.449690
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388652   0.000000
    23  H    3.838595   1.102412   0.000000
    24  H    3.597878   1.102666   1.789436   0.000000
    25  H    4.175072   1.098927   1.797379   1.795499   0.000000
    26  C    6.534380   6.455117   7.556959   6.190967   6.145504
    27  O    6.918395   7.330192   8.428066   7.013736   7.146253
    28  N    5.678075   5.572899   6.662049   5.512858   5.207078
    29  H    7.110264   6.533853   7.616894   6.187428   6.131842
    30  C    5.805030   4.899162   5.942765   4.964517   4.291147
    31  H    6.471885   5.550727   6.529160   5.777760   4.827486
    32  H    4.905168   3.851620   4.884599   4.027580   3.266162
    33  H    6.432955   5.109206   6.134715   5.009996   4.446891
    34  C    5.123379   5.779306   6.819495   5.875454   5.557848
    35  H    5.958518   6.613556   7.621385   6.814371   6.296995
    36  H    5.093091   6.234686   7.270802   6.207856   6.178611
    37  H    4.227778   4.945002   5.935244   5.178295   4.775318
    38  C    3.548278   5.819119   6.451797   5.333478   6.576125
    39  O    4.303607   6.009899   6.590806   5.328035   6.796443
    40  N    3.934286   6.222780   7.006198   5.820800   6.808000
    41  H    2.892598   5.612692   6.123374   5.287888   6.451790
    42  C    5.145898   6.908420   7.792446   6.381405   7.354861
    43  H    5.404548   6.759683   7.619219   6.080949   7.227154
    44  H    6.022062   7.986489   8.852422   7.467058   8.445079
    45  H    5.245681   6.761093   7.730916   6.311609   7.053524
    46  C    3.675596   6.337332   7.124970   6.182884   6.842803
    47  H    3.049214   6.105676   6.767479   6.063117   6.711479
    48  H    3.596442   5.874438   6.752801   5.796470   6.226562
    49  H    4.701298   7.420344   8.213747   7.273903   7.890347
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242543   0.000000
    28  N    1.361129   2.314937   0.000000
    29  H    1.107861   2.057390   2.057343   0.000000
    30  C    2.467393   3.635924   1.463673   2.564190   0.000000
    31  H    3.130983   4.223500   2.117692   3.250737   1.103043
    32  H    3.238726   4.329253   2.108775   3.405146   1.102310
    33  H    2.557143   3.799248   2.103604   2.167628   1.098796
    34  C    2.462333   2.850510   1.465090   3.413492   2.497324
    35  H    3.020959   3.314921   2.124324   3.941704   2.960791
    36  H    2.587320   2.505233   2.100857   3.659707   3.387240
    37  H    3.293727   3.810694   2.097695   4.115320   2.609080
    38  C    6.255589   6.093305   6.105311   6.850723   6.851078
    39  O    6.616329   6.484110   6.623516   7.044487   7.289655
    40  N    5.362071   5.035206   5.282250   6.094631   6.246735
    41  H    6.881345   6.805791   6.530255   7.521899   7.168920
    42  C    4.698015   4.155316   4.986723   5.367950   6.109672
    43  H    4.846297   4.422562   5.254956   5.310181   6.242164
    44  H    5.403461   4.653542   5.800988   6.107775   7.023995
    45  H    3.684875   3.095489   4.015835   4.443398   5.241399
    46  C    5.384026   5.069875   5.053302   6.284467   6.050856
    47  H    6.205427   6.024056   5.696114   7.080313   6.519763
    48  H    4.482351   4.284433   4.026417   5.423911   5.030151
    49  H    5.803378   5.279202   5.593869   6.771199   6.732895
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787512   0.000000
    33  H    1.799266   1.794742   0.000000
    34  C    2.824772   2.725675   3.419726   0.000000
    35  H    2.876667   3.346842   3.917993   1.103437   0.000000
    36  H    3.853668   3.589169   4.166066   1.097391   1.795754
    37  H    2.950323   2.380285   3.622572   1.099294   1.790895
    38  C    7.773682   6.375766   7.232013   5.734716   6.711332
    39  O    8.293092   6.834751   7.497047   6.498512   7.532586
    40  N    7.109177   5.938333   6.706416   4.789864   5.699241
    41  H    8.022242   6.565721   7.652021   6.001064   6.927513
    42  C    7.007330   6.039662   6.418099   4.749667   5.640603
    43  H    7.229093   6.157987   6.376376   5.295320   6.262618
    44  H    7.869745   7.028179   7.344854   5.474103   6.250529
    45  H    6.087248   5.303423   5.584668   3.803077   4.657992
    46  C    6.744413   5.729986   6.722254   4.184788   4.930948
    47  H    7.172527   6.036759   7.245127   4.754471   5.467339
    48  H    5.673927   4.759657   5.764075   3.088846   3.849100
    49  H    7.354328   6.535677   7.425833   4.627358   5.210174
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795306   0.000000
    38  C    5.082984   5.442920   0.000000
    39  O    5.884999   6.263895   1.243196   0.000000
    40  N    3.987213   4.679489   1.361289   2.314955   0.000000
    41  H    5.438034   5.531170   1.108334   2.058075   2.058831
    42  C    3.848012   4.954718   2.470748   2.863038   1.466006
    43  H    4.517190   5.482031   2.570690   2.461061   2.104847
    44  H    4.471533   5.771075   3.101645   3.462045   2.119743
    45  H    2.882000   4.169900   3.256914   3.746609   2.101006
    46  C    3.384445   3.987552   2.466985   3.633772   1.463372
    47  H    4.121009   4.320365   2.555712   3.797609   2.106265
    48  H    2.347580   2.909023   3.144759   4.214603   2.108818
    49  H    3.695586   4.602667   3.222045   4.328679   2.111346
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420177   0.000000
    43  H    3.653924   1.097640   0.000000
    44  H    3.998356   1.102354   1.797529   0.000000
    45  H    4.086809   1.101096   1.796322   1.790038   0.000000
    46  C    2.566295   2.488224   3.387273   2.932183   2.605221
    47  H    2.165169   3.418521   4.188062   3.866329   3.644919
    48  H    3.292279   2.763755   3.618689   3.388102   2.436859
    49  H    3.369665   2.754581   3.797202   2.784760   2.858882
                   46         47         48         49
    46  C    0.000000
    47  H    1.098617   0.000000
    48  H    1.103745   1.796420   0.000000
    49  H    1.101806   1.796206   1.791561   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2167851      0.1955710      0.1842067
 Leave Link  202 at Mon Nov 14 05:43:27 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.6577033066 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854429687 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.4722603379 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4049
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.34D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     234
 GePol: Fraction of low-weight points (<1% of avg)   =       5.78%
 GePol: Cavity surface area                          =    468.276 Ang**2
 GePol: Cavity volume                                =    458.520 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040287734 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.4682315645 Hartrees.
 Leave Link  301 at Mon Nov 14 05:43:27 2016, MaxMem=  2952790016 cpu:         1.3
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:43:28 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:43:28 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000449    0.000339   -0.000339
         Rot=    1.000000    0.000000    0.000019   -0.000012 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:43:29 2016, MaxMem=  2952790016 cpu:         6.9
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49183203.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.88D-15 for   1988.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.27D-14 for   3698   2500.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.44D-15 for   3098.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.79D-09 for   1813   1794.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.99D-15 for   1839.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.71D-14 for   2252    507.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   1082.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.38D-16 for   1847    975.
 E= -1013.45146151315    
 DIIS: error= 8.24D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45146151315     IErMin= 1 ErrMin= 8.24D-05
 ErrMax= 8.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.45D-06 BMatP= 9.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.72D-05 MaxDP=6.46D-04              OVMax= 8.98D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.72D-05    CP:  1.00D+00
 E= -1013.45147637344     Delta-E=       -0.000014860288 Rises=F Damp=F
 DIIS: error= 1.28D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147637344     IErMin= 2 ErrMin= 1.28D-05
 ErrMax= 1.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-07 BMatP= 9.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.321D-01 0.968D+00
 Coeff:      0.321D-01 0.968D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=4.13D-06 MaxDP=2.76D-04 DE=-1.49D-05 OVMax= 4.39D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.04D-06    CP:  1.00D+00  9.54D-01
 E= -1013.45147555497     Delta-E=        0.000000818471 Rises=F Damp=F
 DIIS: error= 3.68D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147637344     IErMin= 2 ErrMin= 1.28D-05
 ErrMax= 3.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-06 BMatP= 2.31D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.365D-02 0.707D+00 0.290D+00
 Coeff:      0.365D-02 0.707D+00 0.290D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.03D-06 MaxDP=2.27D-04 DE= 8.18D-07 OVMax= 3.96D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.34D-06    CP:  1.00D+00  9.63D-01  3.31D-01
 E= -1013.45147654084     Delta-E=       -0.000000985876 Rises=F Damp=F
 DIIS: error= 9.01D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147654084     IErMin= 4 ErrMin= 9.01D-06
 ErrMax= 9.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.24D-08 BMatP= 2.31D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.652D-04 0.279D+00 0.173D+00 0.548D+00
 Coeff:      0.652D-04 0.279D+00 0.173D+00 0.548D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=6.29D-07 MaxDP=3.19D-05 DE=-9.86D-07 OVMax= 7.52D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.22D-07    CP:  1.00D+00  9.68D-01  3.61D-01  6.12D-01
 E= -1013.45147656581     Delta-E=       -0.000000024971 Rises=F Damp=F
 DIIS: error= 4.59D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147656581     IErMin= 5 ErrMin= 4.59D-06
 ErrMax= 4.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.01D-09 BMatP= 3.24D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.338D-04 0.145D+00 0.992D-01 0.373D+00 0.382D+00
 Coeff:     -0.338D-04 0.145D+00 0.992D-01 0.373D+00 0.382D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.67D-07 MaxDP=1.02D-05 DE=-2.50D-08 OVMax= 1.59D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.54D-08    CP:  1.00D+00  9.69D-01  3.58D-01  6.26D-01  5.85D-01
 E= -1013.45147657020     Delta-E=       -0.000000004385 Rises=F Damp=F
 DIIS: error= 2.39D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147657020     IErMin= 6 ErrMin= 2.39D-07
 ErrMax= 2.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.28D-11 BMatP= 5.01D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.127D-04 0.381D-01 0.274D-01 0.107D+00 0.138D+00 0.690D+00
 Coeff:     -0.127D-04 0.381D-01 0.274D-01 0.107D+00 0.138D+00 0.690D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.55D-08 MaxDP=1.68D-06 DE=-4.39D-09 OVMax= 1.48D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.20D-08    CP:  1.00D+00  9.69D-01  3.60D-01  6.31D-01  5.89D-01
                    CP:  9.16D-01
 E= -1013.45147657026     Delta-E=       -0.000000000060 Rises=F Damp=F
 DIIS: error= 7.67D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45147657026     IErMin= 7 ErrMin= 7.67D-08
 ErrMax= 7.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-12 BMatP= 3.28D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.997D-05 0.920D-02 0.710D-02 0.280D-01 0.437D-01 0.359D+00
 Coeff-Com:  0.553D+00
 Coeff:     -0.997D-05 0.920D-02 0.710D-02 0.280D-01 0.437D-01 0.359D+00
 Coeff:      0.553D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=8.21D-09 MaxDP=4.03D-07 DE=-6.05D-11 OVMax= 4.63D-07

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45147657     A.U. after    7 cycles
            NFock=  7  Conv=0.82D-08     -V/T= 2.0213
 KE= 9.923522543882D+02 PE=-6.034463261007D+03 EE= 2.177191298484D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:45:03 2016, MaxMem=  2952790016 cpu:      1064.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 05:45:11 2016, MaxMem=  2952790016 cpu:        97.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:45:11 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:45:48 2016, MaxMem=  2952790016 cpu:       442.6
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21416007D+00-2.50098898D+00 3.31074240D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000141002   -0.000035496    0.000018934
      2        6           0.000046412   -0.000006668    0.000015105
      3        8          -0.000003350    0.000042779   -0.000015902
      4        7          -0.000019844    0.000027530    0.000026283
      5        1          -0.000006222    0.000023012    0.000019286
      6        6          -0.000059971   -0.000036030   -0.000021730
      7        1           0.000016070    0.000022443    0.000021744
      8        1           0.000025582    0.000003207    0.000014755
      9        1           0.000027671    0.000021196    0.000055542
     10        6          -0.000027004    0.000024320   -0.000001138
     11        1          -0.000000999   -0.000012364   -0.000009878
     12        1          -0.000000357    0.000021609   -0.000009305
     13        1          -0.000000348    0.000025404    0.000003128
     14        6           0.000016321   -0.000029208   -0.000051205
     15        8          -0.000000454   -0.000003902   -0.000023593
     16        7          -0.000059268    0.000052738   -0.000045084
     17        1          -0.000017919   -0.000023592   -0.000020486
     18        6           0.000007839   -0.000010758   -0.000019145
     19        1          -0.000025198    0.000035760   -0.000000647
     20        1          -0.000010100    0.000008884   -0.000020013
     21        1          -0.000010812    0.000004200   -0.000015370
     22        6          -0.000055577   -0.000027287    0.000007255
     23        1           0.000004024    0.000021474   -0.000056185
     24        1          -0.000010365    0.000062601   -0.000062619
     25        1          -0.000003381    0.000032654   -0.000031629
     26        6          -0.000019559    0.000014818    0.000027855
     27        8           0.000006347   -0.000024302    0.000012029
     28        7          -0.000017017    0.000027039   -0.000010799
     29        1           0.000015663   -0.000017468    0.000007528
     30        6          -0.000015251   -0.000073116   -0.000002261
     31        1           0.000013834    0.000004635   -0.000021709
     32        1           0.000014914    0.000009674    0.000013910
     33        1          -0.000028038    0.000004416   -0.000019010
     34        6          -0.000010247   -0.000017646   -0.000007755
     35        1          -0.000000360   -0.000037234   -0.000010336
     36        1           0.000005331   -0.000021433    0.000009238
     37        1          -0.000001261   -0.000017583   -0.000008654
     38        6           0.000009492   -0.000008722    0.000028991
     39        8          -0.000008410    0.000033562   -0.000003299
     40        7           0.000010851    0.000005957    0.000046421
     41        1           0.000022464   -0.000003677    0.000019062
     42        6          -0.000004645   -0.000040204    0.000058219
     43        1           0.000022522    0.000000203    0.000022991
     44        1           0.000025713   -0.000003738    0.000013557
     45        1          -0.000026527   -0.000004676    0.000020253
     46        6          -0.000008505    0.000007533   -0.000004248
     47        1           0.000005278   -0.000029435    0.000008752
     48        1           0.000002419   -0.000027565    0.000004881
     49        1           0.000011242   -0.000025543    0.000016280
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000141002 RMS     0.000027286
 Leave Link  716 at Mon Nov 14 05:45:48 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000031919 RMS     0.000005112
 Search for a local minimum.
 Step number 128 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .51119D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    116  117  118  119  120
                                                    121  122  123  124  125
                                                    126  127  128
 DE= -1.03D-06 DEPred=-5.63D-07 R= 1.82D+00
 TightC=F SS=  1.41D+00  RLast= 6.68D-02 DXNew= 4.7664D-01 2.0031D-01
 Trust test= 1.82D+00 RLast= 6.68D-02 DXMaxT set to 2.83D-01
 ITU=  1  1  1  1  1  1  1  1 -1  1 -1  0 -1  1  1  1  0 -1  0  0
 ITU= -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1 -1
 ITU=  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0  1
 ITU=  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00002   0.00022   0.00072   0.00080   0.00086
     Eigenvalues ---    0.00099   0.00128   0.00158   0.00185   0.00213
     Eigenvalues ---    0.00236   0.00252   0.00327   0.00348   0.00454
     Eigenvalues ---    0.00486   0.00604   0.00683   0.00723   0.00805
     Eigenvalues ---    0.00854   0.00864   0.00904   0.00970   0.01045
     Eigenvalues ---    0.01093   0.01180   0.01231   0.01344   0.01415
     Eigenvalues ---    0.01475   0.01596   0.01689   0.01755   0.01775
     Eigenvalues ---    0.01794   0.01858   0.01871   0.01928   0.02035
     Eigenvalues ---    0.02118   0.02233   0.02283   0.02366   0.02477
     Eigenvalues ---    0.02531   0.02599   0.02820   0.03086   0.03211
     Eigenvalues ---    0.03353   0.03839   0.04490   0.04738   0.05087
     Eigenvalues ---    0.05557   0.05919   0.06005   0.06219   0.06293
     Eigenvalues ---    0.06494   0.06658   0.06938   0.07028   0.07283
     Eigenvalues ---    0.07409   0.07647   0.07671   0.08025   0.08201
     Eigenvalues ---    0.08352   0.08492   0.08550   0.08838   0.09028
     Eigenvalues ---    0.09211   0.09375   0.09489   0.09612   0.09726
     Eigenvalues ---    0.09958   0.10220   0.10436   0.10569   0.10741
     Eigenvalues ---    0.10903   0.11175   0.11265   0.11406   0.12921
     Eigenvalues ---    0.13266   0.14136   0.14507   0.14610   0.15202
     Eigenvalues ---    0.15252   0.15409   0.20976   0.22284   0.23028
     Eigenvalues ---    0.23349   0.24626   0.24898   0.25374   0.26038
     Eigenvalues ---    0.27017   0.27679   0.28085   0.28826   0.29391
     Eigenvalues ---    0.29784   0.30602   0.32784   0.32810   0.32862
     Eigenvalues ---    0.32949   0.33249   0.33302   0.33364   0.33375
     Eigenvalues ---    0.33391   0.33426   0.33457   0.33511   0.33734
     Eigenvalues ---    0.33814   0.33828   0.33843   0.33957   0.33978
     Eigenvalues ---    0.34078   0.34258   0.34300   0.36047   0.37081
     Eigenvalues ---    0.39569   0.40848   0.86165   0.86338   0.86917
     Eigenvalues ---    0.90039
 Eigenvalue     1 is   1.80D-05 Eigenvector:
                         D399      D397      D407      D395      D405
   1                   -0.22852  -0.22561  -0.22410  -0.22202  -0.22184
                         D401      D403      D393      D381      D379
   1                   -0.22075  -0.22071  -0.22037  -0.21977  -0.21972
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   128  127  126  125  124
 RFO step:  Lambda=-8.12776505D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  2.15D-06 SmlDif=  1.00D-05
 RMS Error=  0.2688852162D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.96190   -1.33222    0.10924    0.49639   -0.23531
 Iteration  1 RMS(Cart)=  0.00087572 RMS(Int)=  0.00000097
 Iteration  2 RMS(Cart)=  0.00000057 RMS(Int)=  0.00000055
 ITry= 1 IFail=0 DXMaxC= 6.88D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58160   0.00001   0.00130   0.00036   0.00166   6.58326
    R2        6.25245   0.00000  -0.00076  -0.00004  -0.00080   6.25165
    R3        7.17602  -0.00002  -0.00455  -0.00023  -0.00479   7.17123
    R4        6.22502   0.00000  -0.00740  -0.00020  -0.00760   6.21742
    R5        6.54332   0.00000  -0.00017   0.00020   0.00004   6.54336
    R6        5.94611   0.00000   0.00022  -0.00016   0.00005   5.94617
    R7        6.68867   0.00000   0.00031  -0.00003   0.00028   6.68895
    R8        6.21594   0.00000   0.00050   0.00016   0.00066   6.21659
    R9        6.63850   0.00000   0.00041   0.00050   0.00091   6.63941
   R10        6.06438   0.00001   0.00079   0.00025   0.00104   6.06543
   R11        6.93441   0.00001   0.00122  -0.00001   0.00120   6.93561
   R12        6.01354   0.00001   0.00110  -0.00004   0.00106   6.01460
   R13        6.89069  -0.00001  -0.00024  -0.00010  -0.00034   6.89035
   R14        6.19350  -0.00001   0.00029  -0.00004   0.00025   6.19375
   R15        6.83535  -0.00001   0.00016   0.00014   0.00031   6.83566
   R16        5.92769   0.00000   0.00027   0.00060   0.00086   5.92855
   R17        6.68781   0.00001   0.00078  -0.00003   0.00074   6.68855
   R18        6.54376   0.00001   0.00070   0.00028   0.00098   6.54474
   R19        6.22576   0.00001   0.00048   0.00021   0.00070   6.22645
   R20        6.55978   0.00001  -0.00009  -0.00038  -0.00047   6.55931
   R21        6.01463   0.00001   0.00002  -0.00064  -0.00062   6.01401
   R22        7.04566   0.00000   0.00115   0.00071   0.00186   7.04752
   R23        6.06326   0.00000   0.00169   0.00061   0.00230   6.06556
   R24        2.34940   0.00000  -0.00002  -0.00001  -0.00002   2.34937
   R25        2.57228  -0.00002  -0.00004   0.00002  -0.00002   2.57226
   R26        2.09471   0.00000   0.00003   0.00000   0.00003   2.09474
   R27        2.76539  -0.00001   0.00001  -0.00004  -0.00003   2.76536
   R28        2.76816  -0.00001   0.00004  -0.00002   0.00001   2.76817
   R29        2.07672   0.00000   0.00001   0.00000   0.00001   2.07673
   R30        2.08271   0.00000   0.00004   0.00002   0.00006   2.08277
   R31        2.08252   0.00000  -0.00002   0.00001  -0.00001   2.08250
   R32        2.08117   0.00000  -0.00004   0.00003  -0.00001   2.08116
   R33        2.07447   0.00000   0.00001   0.00000   0.00001   2.07448
   R34        2.08336   0.00000   0.00000   0.00000   0.00000   2.08336
   R35        2.34852   0.00000   0.00001   0.00002   0.00003   2.34854
   R36        2.57132   0.00003  -0.00004   0.00003   0.00000   2.57132
   R37        2.09434   0.00000   0.00001  -0.00001   0.00000   2.09433
   R38        2.76968  -0.00001  -0.00007  -0.00002  -0.00009   2.76959
   R39        2.76519   0.00000   0.00000  -0.00002  -0.00002   2.76517
   R40        2.08097   0.00001  -0.00002   0.00003   0.00000   2.08097
   R41        2.08406   0.00000   0.00000   0.00001   0.00000   2.08406
   R42        2.07373   0.00000   0.00001   0.00000   0.00001   2.07373
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08325
   R44        2.08374   0.00003   0.00001   0.00002   0.00003   2.08377
   R45        2.07667   0.00000   0.00000   0.00001   0.00000   2.07667
   R46        2.34807   0.00000   0.00000   0.00000   0.00000   2.34806
   R47        2.57216   0.00000   0.00001  -0.00001   0.00000   2.57216
   R48        2.09355   0.00000   0.00000   0.00001   0.00001   2.09356
   R49        2.76594   0.00002  -0.00002   0.00003   0.00001   2.76595
   R50        2.76862   0.00000  -0.00001   0.00001   0.00000   2.76862
   R51        2.08445   0.00000   0.00001   0.00000   0.00000   2.08445
   R52        2.08306  -0.00002  -0.00007  -0.00001  -0.00008   2.08299
   R53        2.07642   0.00000  -0.00001   0.00000  -0.00001   2.07641
   R54        2.08519   0.00000   0.00000   0.00000   0.00000   2.08520
   R55        2.07377   0.00000   0.00000   0.00000   0.00000   2.07377
   R56        2.07737   0.00000   0.00001  -0.00001   0.00000   2.07736
   R57        2.34930   0.00003   0.00006   0.00000   0.00005   2.34935
   R58        2.57246   0.00000  -0.00005   0.00001  -0.00004   2.57242
   R59        2.09445   0.00000  -0.00003   0.00001  -0.00002   2.09442
   R60        2.77035  -0.00001  -0.00008   0.00006  -0.00002   2.77033
   R61        2.76537  -0.00001  -0.00002  -0.00005  -0.00007   2.76531
   R62        2.07424   0.00000   0.00002  -0.00001   0.00001   2.07425
   R63        2.08315   0.00000   0.00000  -0.00001  -0.00001   2.08314
   R64        2.08077  -0.00002  -0.00004   0.00004   0.00001   2.08078
   R65        2.07609   0.00001   0.00002   0.00000   0.00002   2.07611
   R66        2.08578   0.00000   0.00001  -0.00002  -0.00001   2.08577
   R67        2.08211   0.00000   0.00001   0.00001   0.00002   2.08213
    A1        0.68582   0.00000   0.00027   0.00000   0.00027   0.68609
    A2        0.96333   0.00000   0.00030   0.00002   0.00032   0.96364
    A3        0.72729  -0.00001  -0.00010  -0.00004  -0.00015   0.72714
    A4        1.02082   0.00000  -0.00008  -0.00002  -0.00011   1.02071
    A5        2.37432  -0.00001  -0.00095  -0.00025  -0.00120   2.37311
    A6        2.04120  -0.00001  -0.00070  -0.00016  -0.00086   2.04034
    A7        1.97141   0.00000  -0.00022   0.00004  -0.00018   1.97123
    A8        1.67054   0.00000  -0.00011   0.00012   0.00001   1.67055
    A9        1.67916  -0.00001  -0.00080  -0.00023  -0.00103   1.67813
   A10        1.39406  -0.00001  -0.00072  -0.00021  -0.00093   1.39313
   A11        1.74010   0.00000  -0.00001   0.00000  -0.00001   1.74008
   A12        2.04758   0.00000  -0.00019  -0.00004  -0.00023   2.04734
   A13        1.95656   0.00000  -0.00048  -0.00012  -0.00060   1.95596
   A14        2.05130   0.00000  -0.00057  -0.00004  -0.00062   2.05069
   A15        2.43887   0.00000  -0.00004  -0.00001  -0.00005   2.43882
   A16        1.61279   0.00001   0.00118   0.00050   0.00168   1.61447
   A17        1.81080   0.00001   0.00099   0.00038   0.00137   1.81217
   A18        1.58408   0.00001   0.00068   0.00022   0.00090   1.58498
   A19        1.71826   0.00001   0.00039   0.00011   0.00050   1.71876
   A20        2.21123   0.00001   0.00089   0.00030   0.00119   2.21243
   A21        2.42985   0.00001   0.00072   0.00028   0.00101   2.43086
   A22        0.65068   0.00000   0.00048   0.00000   0.00049   0.65117
   A23        0.66199   0.00000   0.00003   0.00002   0.00005   0.66204
   A24        2.45311   0.00000  -0.00087  -0.00026  -0.00113   2.45198
   A25        2.26080   0.00000  -0.00065  -0.00015  -0.00080   2.26000
   A26        2.32792   0.00000  -0.00027   0.00002  -0.00024   2.32768
   A27        2.04887   0.00000  -0.00013   0.00013   0.00000   2.04888
   A28        1.85351   0.00000  -0.00060  -0.00016  -0.00076   1.85275
   A29        1.60523  -0.00001  -0.00052  -0.00011  -0.00064   1.60460
   A30        1.34394   0.00000   0.00001   0.00001   0.00002   1.34396
   A31        1.64872   0.00000  -0.00009  -0.00002  -0.00011   1.64861
   A32        1.60784   0.00000  -0.00024  -0.00009  -0.00033   1.60752
   A33        1.76975   0.00000  -0.00026  -0.00002  -0.00028   1.76948
   A34        2.04083   0.00000  -0.00004   0.00000  -0.00004   2.04079
   A35        1.87833   0.00000   0.00092   0.00050   0.00143   1.87976
   A36        1.94225   0.00000   0.00065   0.00036   0.00102   1.94327
   A37        1.58956   0.00000   0.00044   0.00024   0.00068   1.59024
   A38        1.60102   0.00000   0.00014   0.00012   0.00027   1.60129
   A39        2.29150   0.00000   0.00039   0.00022   0.00061   2.29210
   A40        2.38298   0.00000   0.00009   0.00019   0.00028   2.38326
   A41        0.69428   0.00000   0.00037   0.00002   0.00038   0.69466
   A42        0.75651   0.00000   0.00027   0.00009   0.00036   0.75687
   A43        2.72986   0.00000  -0.00036  -0.00019  -0.00055   2.72932
   A44        2.65002   0.00000  -0.00028  -0.00013  -0.00041   2.64961
   A45        2.64815   0.00000   0.00001   0.00004   0.00004   2.64819
   A46        2.33451   0.00000   0.00004   0.00009   0.00013   2.33464
   A47        2.24073   0.00000  -0.00020  -0.00013  -0.00034   2.24039
   A48        1.99682  -0.00001  -0.00017  -0.00010  -0.00028   1.99655
   A49        1.10872   0.00000   0.00005   0.00001   0.00006   1.10877
   A50        1.47247   0.00000   0.00007   0.00000   0.00006   1.47253
   A51        1.58664   0.00000   0.00010  -0.00006   0.00003   1.58667
   A52        1.83116   0.00000   0.00013  -0.00001   0.00012   1.83128
   A53        1.78813   0.00000   0.00005   0.00002   0.00008   1.78820
   A54        1.73228   0.00000   0.00044   0.00046   0.00090   1.73317
   A55        1.66259   0.00000   0.00013   0.00032   0.00045   1.66304
   A56        1.25908   0.00000   0.00000   0.00023   0.00024   1.25932
   A57        1.22063   0.00000  -0.00026   0.00011  -0.00015   1.22048
   A58        1.95005   0.00000  -0.00017   0.00015  -0.00001   1.95004
   A59        1.99758   0.00000  -0.00035   0.00016  -0.00019   1.99739
   A60        0.84899   0.00000   0.00071  -0.00003   0.00068   0.84967
   A61        0.79217   0.00000   0.00072   0.00004   0.00076   0.79293
   A62        2.65736   0.00000   0.00028  -0.00013   0.00015   2.65751
   A63        2.83402   0.00000   0.00023  -0.00014   0.00009   2.83411
   A64        2.58438   0.00000  -0.00016   0.00010  -0.00006   2.58432
   A65        2.44794   0.00000   0.00025  -0.00012   0.00013   2.44807
   A66        2.24131  -0.00001   0.00014  -0.00008   0.00006   2.24137
   A67        0.87279   0.00000   0.00035  -0.00005   0.00030   0.87309
   A68        1.25080   0.00000   0.00040  -0.00006   0.00035   1.25114
   A69        1.44552   0.00000   0.00058  -0.00012   0.00046   1.44598
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   A298       1.90132   0.00000   0.00001  -0.00003  -0.00002   1.90130
   A299       1.90872   0.00000   0.00005   0.00000   0.00006   1.90877
   A300       1.89869   0.00000  -0.00003   0.00000  -0.00003   1.89865
   A301       1.91335   0.00000   0.00001   0.00001   0.00003   1.91338
   A302       1.61436   0.00001  -0.00013   0.00000  -0.00013   1.61423
   A303       1.82962  -0.00001   0.00026   0.00004   0.00030   1.82992
   A304       2.18853   0.00000  -0.00002   0.00003   0.00001   2.18854
   A305       2.12990   0.00000  -0.00002  -0.00003  -0.00005   2.12985
   A306       1.96440   0.00000   0.00004   0.00000   0.00004   1.96444
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   A308       2.12345   0.00000  -0.00001  -0.00002  -0.00003   2.12342
   A309       2.02971   0.00000   0.00008  -0.00001   0.00008   2.02978
   A310       1.30516   0.00000  -0.00026  -0.00015  -0.00041   1.30475
   A311       3.03986   0.00000   0.00012  -0.00010   0.00002   3.03988
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   A313       1.92761   0.00000   0.00029  -0.00009   0.00020   1.92781
   A314       1.90292   0.00000   0.00008  -0.00002   0.00005   1.90298
   A315       1.91259   0.00000  -0.00019   0.00017  -0.00003   1.91256
   A316       1.91231   0.00000  -0.00009  -0.00001  -0.00010   1.91220
   A317       1.89644   0.00000  -0.00010   0.00001  -0.00009   1.89635
   A318       1.79683   0.00000   0.00004   0.00051   0.00055   1.79738
   A319       1.91596   0.00000  -0.00002   0.00005   0.00003   1.91600
   A320       1.91412   0.00000   0.00014   0.00003   0.00017   1.91429
   A321       1.91968   0.00000  -0.00001  -0.00004  -0.00005   1.91963
   A322       1.90780   0.00000  -0.00009   0.00002  -0.00007   1.90773
   A323       1.90995   0.00000   0.00001  -0.00005  -0.00004   1.90991
   A324       1.89616   0.00000  -0.00004   0.00000  -0.00005   1.89611
   A325       2.93473   0.00000   0.00008   0.00006   0.00014   2.93487
   A326       3.39742   0.00000  -0.00041  -0.00012  -0.00053   3.39689
   A327       3.11233  -0.00001  -0.00033  -0.00010  -0.00043   3.11189
   A328       3.23107   0.00001  -0.00011   0.00030   0.00019   3.23126
   A329       3.25721   0.00000  -0.00029   0.00024  -0.00004   3.25716
   A330       3.25922   0.00001   0.00088  -0.00008   0.00080   3.26002
   A331       3.70678   0.00000   0.00005   0.00046   0.00051   3.70729
   A332       3.28814   0.00000   0.00057  -0.00011   0.00047   3.28860
   A333       2.93639   0.00000   0.00016  -0.00021  -0.00005   2.93633
   A334       2.88048  -0.00001   0.00007  -0.00033  -0.00026   2.88022
   A335       3.23543   0.00000  -0.00023   0.00007  -0.00017   3.23526
   A336       3.08046   0.00000   0.00012  -0.00002   0.00009   3.08056
   A337       3.10426   0.00000  -0.00024   0.00003  -0.00021   3.10405
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    D5        1.65944   0.00000  -0.00064  -0.00006  -0.00071   1.65873
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    D7        1.83084   0.00000  -0.00066  -0.00017  -0.00083   1.83001
    D8       -2.28776   0.00000  -0.00035  -0.00012  -0.00047  -2.28823
    D9        0.23316   0.00000  -0.00017   0.00013  -0.00004   0.23312
   D10        2.39775   0.00000   0.00013   0.00018   0.00031   2.39806
   D11       -0.03340   0.00000  -0.00044  -0.00002  -0.00046  -0.03387
   D12        2.13119   0.00000  -0.00013   0.00002  -0.00011   2.13108
   D13       -0.50165   0.00000  -0.00038  -0.00001  -0.00039  -0.50204
   D14        1.66294   0.00000  -0.00007   0.00004  -0.00003   1.66291
   D15       -0.60372   0.00000  -0.00066  -0.00019  -0.00085  -0.60457
   D16        1.56087   0.00000  -0.00035  -0.00014  -0.00049   1.56038
   D17        0.16783   0.00000  -0.00086  -0.00019  -0.00105   0.16678
   D18        2.33242   0.00000  -0.00055  -0.00014  -0.00069   2.33173
   D19        0.11193   0.00000  -0.00095  -0.00031  -0.00126   0.11067
   D20        2.27652   0.00000  -0.00064  -0.00026  -0.00090   2.27561
   D21        2.36603   0.00000  -0.00122  -0.00005  -0.00127   2.36476
   D22       -1.75257   0.00000  -0.00091   0.00000  -0.00091  -1.75348
   D23        2.12692   0.00000  -0.00152  -0.00011  -0.00163   2.12530
   D24       -1.99167   0.00000  -0.00121  -0.00006  -0.00127  -1.99294
   D25        1.67860   0.00000  -0.00136  -0.00007  -0.00143   1.67717
   D26       -2.44000   0.00000  -0.00105  -0.00002  -0.00107  -2.44107
   D27        1.36967   0.00000  -0.00130  -0.00005  -0.00135   1.36832
   D28       -2.74893   0.00000  -0.00099   0.00000  -0.00099  -2.74992
   D29        2.34816   0.00000  -0.00217  -0.00020  -0.00237   2.34579
   D30       -1.77043   0.00000  -0.00186  -0.00015  -0.00201  -1.77244
   D31       -1.74729   0.00000  -0.00094   0.00012  -0.00082  -1.74811
   D32        0.41730   0.00000  -0.00063   0.00016  -0.00046   0.41683
   D33       -2.10207   0.00000  -0.00104   0.00004  -0.00100  -2.10306
   D34        0.06252   0.00000  -0.00073   0.00009  -0.00064   0.06188
   D35       -2.47569   0.00000  -0.00087   0.00010  -0.00077  -2.47647
   D36       -0.31110   0.00000  -0.00056   0.00014  -0.00042  -0.31152
   D37       -2.76855   0.00000  -0.00102   0.00002  -0.00100  -2.76955
   D38       -0.60396   0.00000  -0.00071   0.00007  -0.00064  -0.60461
   D39       -2.13406   0.00000  -0.00138  -0.00014  -0.00152  -2.13558
   D40        0.03052   0.00000  -0.00107  -0.00009  -0.00116   0.02937
   D41       -2.38049   0.00000  -0.00181  -0.00016  -0.00197  -2.38245
   D42       -0.21590   0.00000  -0.00150  -0.00011  -0.00161  -0.21751
   D43        1.26309   0.00001  -0.00001   0.00020   0.00019   1.26327
   D44       -1.96958   0.00000  -0.00251   0.00002  -0.00249  -1.97207
   D45        2.44876   0.00000  -0.00072   0.00011  -0.00061   2.44815
   D46       -0.78391   0.00000  -0.00322  -0.00007  -0.00329  -0.78719
   D47        2.92636   0.00000  -0.00085   0.00004  -0.00081   2.92554
   D48       -0.30631   0.00000  -0.00334  -0.00014  -0.00349  -0.30980
   D49        2.87563  -0.00001  -0.00162  -0.00027  -0.00189   2.87374
   D50       -0.35704  -0.00001  -0.00411  -0.00045  -0.00456  -0.36161
   D51        1.96110  -0.00001  -0.00093   0.00001  -0.00092   1.96018
   D52       -1.27157  -0.00001  -0.00343  -0.00017  -0.00359  -1.27516
   D53        1.02625   0.00000  -0.00058   0.00018  -0.00040   1.02585
   D54       -2.20642   0.00000  -0.00308   0.00000  -0.00308  -2.20950
   D55        0.95342   0.00000  -0.00081  -0.00009  -0.00090   0.95252
   D56       -2.27925   0.00000  -0.00331  -0.00026  -0.00357  -2.28282
   D57        1.98560   0.00000  -0.00117  -0.00014  -0.00131   1.98429
   D58       -1.24707  -0.00001  -0.00367  -0.00032  -0.00398  -1.25105
   D59        1.79972   0.00000  -0.00107  -0.00019  -0.00126   1.79846
   D60       -1.43295  -0.00001  -0.00357  -0.00037  -0.00393  -1.43689
   D61       -2.31597   0.00001  -0.00125   0.00015  -0.00110  -2.31707
   D62        0.73455   0.00000  -0.00375  -0.00003  -0.00378   0.73077
   D63       -2.43577   0.00001  -0.00127   0.00010  -0.00117  -2.43694
   D64        0.61475   0.00000  -0.00376  -0.00008  -0.00385   0.61090
   D65       -2.83688   0.00000  -0.00124   0.00008  -0.00116  -2.83804
   D66        0.21363   0.00000  -0.00374  -0.00009  -0.00384   0.20980
   D67       -3.00507   0.00001  -0.00117   0.00014  -0.00103  -3.00610
   D68        0.04545   0.00000  -0.00366  -0.00004  -0.00370   0.04174
   D69       -2.14723   0.00000  -0.00132   0.00007  -0.00125  -2.14848
   D70        0.90328   0.00000  -0.00382  -0.00011  -0.00393   0.89935
   D71       -0.17542   0.00000  -0.00146  -0.00002  -0.00148  -0.17691
   D72        2.87509   0.00000  -0.00396  -0.00020  -0.00416   2.87093
   D73       -0.57533   0.00000  -0.00137   0.00000  -0.00137  -0.57671
   D74        2.47518   0.00000  -0.00387  -0.00018  -0.00405   2.47113
   D75       -0.73652   0.00000  -0.00100   0.00016  -0.00085  -0.73737
   D76        2.31400   0.00000  -0.00350  -0.00002  -0.00352   2.31047
   D77       -1.07377   0.00000  -0.00098   0.00017  -0.00082  -1.07458
   D78        1.97675   0.00000  -0.00348  -0.00001  -0.00349   1.97325
   D79       -0.86476   0.00000  -0.00156  -0.00011  -0.00167  -0.86642
   D80        2.18576   0.00000  -0.00406  -0.00029  -0.00434   2.18142
   D81       -1.16765   0.00000  -0.00154  -0.00008  -0.00162  -1.16927
   D82        1.88287   0.00000  -0.00404  -0.00026  -0.00430   1.87857
   D83       -1.51903   0.00000   0.00001   0.00014   0.00015  -1.51889
   D84       -2.60080   0.00000  -0.00030   0.00012  -0.00018  -2.60098
   D85       -2.93445   0.00000   0.00014   0.00005   0.00019  -2.93425
   D86        0.72976   0.00000  -0.00060   0.00001  -0.00059   0.72918
   D87        0.29577  -0.00001  -0.00046   0.00002  -0.00044   0.29534
   D88       -0.10839   0.00000  -0.00006   0.00019   0.00013  -0.10826
   D89       -0.43797   0.00000  -0.00014   0.00009  -0.00005  -0.43802
   D90        0.18284   0.00000  -0.00069  -0.00011  -0.00080   0.18204
   D91       -0.04927  -0.00001  -0.00070  -0.00018  -0.00087  -0.05014
   D92        2.38352   0.00000  -0.00057   0.00015  -0.00042   2.38310
   D93        2.04215   0.00001  -0.00070   0.00011  -0.00059   2.04156
   D94        1.64140   0.00000  -0.00070   0.00014  -0.00056   1.64084
   D95        1.35983   0.00001  -0.00069   0.00015  -0.00054   1.35928
   D96        2.05925   0.00000  -0.00088   0.00007  -0.00082   2.05843
   D97       -1.88057   0.00000  -0.00072   0.00024  -0.00049  -1.88106
   D98       -2.43587   0.00000  -0.00113   0.00001  -0.00112  -2.43699
   D99       -2.64561   0.00000  -0.00060   0.00016  -0.00044  -2.64605
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   D101      -2.92914   0.00000  -0.00198  -0.00036  -0.00234  -2.93148
   D102       2.82108   0.00000  -0.00154  -0.00032  -0.00186   2.81922
   D103      -2.83523  -0.00001  -0.00114  -0.00052  -0.00166  -2.83688
   D104       1.26169  -0.00001  -0.00109  -0.00044  -0.00153   1.26017
   D105       2.85224   0.00000  -0.00039  -0.00032  -0.00071   2.85153
   D106       0.66597   0.00000  -0.00033  -0.00024  -0.00057   0.66540
   D107       2.30100   0.00001   0.00017   0.00001   0.00018   2.30119
   D108       0.11474   0.00001   0.00022   0.00009   0.00031   0.11505
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   D110      -0.51559   0.00001  -0.00021   0.00023   0.00003  -0.51556
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   D112       0.41978   0.00000  -0.00039  -0.00021  -0.00060   0.41918
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   D397      -0.31577   0.00000   0.00619   0.00134   0.00753  -0.30824
   D398       2.34524   0.00000   0.00101   0.00070   0.00172   2.34696
   D399      -0.08149   0.00000   0.00631   0.00151   0.00782  -0.07367
   D400       2.52824   0.00000   0.00082   0.00048   0.00130   2.52955
   D401       0.10151   0.00000   0.00612   0.00129   0.00741   0.10892
   D402      -1.53202   0.00000  -0.00006   0.00002  -0.00004  -1.53207
   D403       2.32443   0.00000   0.00524   0.00082   0.00606   2.33049
   D404      -2.62574   0.00000   0.00004   0.00013   0.00017  -2.62557
   D405       1.23071   0.00000   0.00534   0.00093   0.00627   1.23699
   D406      -2.97187   0.00000   0.00008   0.00027   0.00034  -2.97153
   D407       0.88458   0.00000   0.00537   0.00107   0.00645   0.89103
   D408       1.92418   0.00000   0.00078   0.00025   0.00102   1.92520
   D409       2.43142   0.00000   0.00109   0.00036   0.00145   2.43287
   D410       2.65895   0.00000   0.00080   0.00028   0.00108   2.66003
   D411       2.88699   0.00000   0.00039   0.00030   0.00069   2.88768
   D412       2.88292   0.00000   0.00202   0.00061   0.00263   2.88555
   D413      -2.90410   0.00000   0.00140   0.00060   0.00200  -2.90210
   D414      -0.71029   0.00000   0.00064   0.00023   0.00087  -0.70942
   D415      -0.33494   0.00001   0.00060   0.00026   0.00086  -0.33408
   D416      -0.00723   0.00000   0.00058   0.00020   0.00077  -0.00646
   D417       0.29732   0.00000   0.00052   0.00020   0.00073   0.29804
   D418      -0.22518   0.00000   0.00056   0.00033   0.00090  -0.22429
   D419       0.06650   0.00001   0.00051   0.00037   0.00088   0.06738
   D420      -2.52543   0.00000   0.00074   0.00021   0.00094  -2.52449
   D421      -2.14474   0.00000   0.00075   0.00021   0.00096  -2.14378
   D422      -1.88204   0.00000   0.00070   0.00019   0.00089  -1.88115
   D423      -1.56537   0.00000   0.00065   0.00019   0.00084  -1.56453
   D424      -1.94966   0.00000   0.00084   0.00019   0.00102  -1.94864
   D425       1.29636   0.00000  -0.00007  -0.00026  -0.00033   1.29603
   D426       2.46938   0.00000  -0.00004  -0.00013  -0.00017   2.46920
   D427       2.94656   0.00000  -0.00001  -0.00008  -0.00009   2.94647
   D428      -3.05030  -0.00002   0.00033  -0.00018   0.00015  -3.05015
   D429       0.02583  -0.00001  -0.00026   0.00005  -0.00021   0.02562
   D430       0.06123   0.00000   0.00040  -0.00011   0.00028   0.06151
   D431       3.13736   0.00000  -0.00019   0.00012  -0.00008   3.13728
   D432      -0.11801   0.00000  -0.00138   0.00037  -0.00101  -0.11902
   D433       1.98039   0.00001  -0.00149   0.00039  -0.00110   1.97929
   D434      -2.21501   0.00000  -0.00135   0.00032  -0.00103  -2.21604
   D435       3.08570  -0.00001  -0.00081   0.00016  -0.00065   3.08505
   D436      -1.09908   0.00000  -0.00092   0.00018  -0.00074  -1.09982
   D437       0.98871  -0.00001  -0.00078   0.00011  -0.00067   0.98803
   D438      -2.33940   0.00000  -0.00126   0.00004  -0.00121  -2.34061
   D439      -0.24857   0.00000  -0.00137   0.00003  -0.00133  -0.24990
   D440       1.85949  -0.00001  -0.00136   0.00006  -0.00131   1.85819
   D441       0.73988   0.00000  -0.00183   0.00026  -0.00156   0.73831
   D442       2.83070   0.00000  -0.00194   0.00025  -0.00168   2.82902
   D443      -1.34442   0.00000  -0.00193   0.00027  -0.00166  -1.34607
   D444       0.00592  -0.00001  -0.00009  -0.00013  -0.00021   0.00571
   D445       3.11286   0.00000   0.00019  -0.00013   0.00006   3.11292
   D446      -3.11303  -0.00001  -0.00007  -0.00005  -0.00012  -3.11315
   D447      -0.00609  -0.00001   0.00020  -0.00005   0.00015  -0.00594
   D448       2.43152   0.00000   0.00023  -0.00023   0.00000   2.43152
   D449      -1.76845   0.00000   0.00025  -0.00025   0.00000  -1.76845
   D450       0.33963   0.00000   0.00023  -0.00025  -0.00002   0.33961
   D451      -0.67707   0.00000  -0.00003  -0.00023  -0.00026  -0.67733
   D452       1.40614   0.00000  -0.00001  -0.00025  -0.00026   1.40588
   D453      -2.76896   0.00000  -0.00003  -0.00025  -0.00028  -2.76924
   D454       2.04997  -0.00001   0.00019   0.00012   0.00032   2.05029
   D455      -2.14988   0.00000   0.00025   0.00010   0.00035  -2.14953
   D456      -0.05603  -0.00001   0.00026   0.00006   0.00032  -0.05571
   D457      -1.12461  -0.00001   0.00046   0.00012   0.00058  -1.12404
   D458       0.95871   0.00000   0.00052   0.00009   0.00061   0.95933
   D459       3.05257  -0.00001   0.00053   0.00005   0.00058   3.05315
   D460      -3.08654   0.00000   0.00002  -0.00006  -0.00004  -3.08658
   D461      -0.02158   0.00000   0.00008  -0.00010  -0.00002  -0.02160
   D462       0.06913  -0.00001   0.00016  -0.00019  -0.00003   0.06909
   D463       3.13409  -0.00001   0.00022  -0.00023  -0.00001   3.13407
   D464       1.92156  -0.00001   0.00018  -0.00050  -0.00032   1.92124
   D465      -2.27961  -0.00001   0.00007  -0.00042  -0.00034  -2.27996
   D466      -0.18648  -0.00002   0.00018  -0.00054  -0.00036  -0.18684
   D467      -1.14644  -0.00001   0.00011  -0.00046  -0.00035  -1.14678
   D468       0.93557   0.00000   0.00001  -0.00037  -0.00037   0.93521
   D469       3.02871  -0.00001   0.00011  -0.00050  -0.00038   3.02832
   D470      -1.63101   0.00000  -0.00110   0.00006  -0.00104  -1.63205
   D471       0.47368   0.00000  -0.00106   0.00007  -0.00099   0.47269
   D472       2.56395   0.00000  -0.00104   0.00007  -0.00096   2.56299
   D473       1.43740   0.00000  -0.00103   0.00002  -0.00101   1.43639
   D474      -2.74110  -0.00001  -0.00099   0.00003  -0.00096  -2.74206
   D475      -0.65082   0.00000  -0.00097   0.00003  -0.00094  -0.65176
   D476       0.01542  -0.00001   0.00007  -0.00023  -0.00016   0.01526
   D477      -3.02065  -0.00001  -0.00020  -0.00026  -0.00046  -3.02111
   D478       3.12868  -0.00001   0.00011  -0.00022  -0.00011   3.12857
   D479       0.09260  -0.00001  -0.00016  -0.00024  -0.00040   0.09220
   D480      -0.27529   0.00000  -0.00022   0.00007  -0.00015  -0.27544
   D481       1.83285   0.00000  -0.00027   0.00019  -0.00008   1.83277
   D482      -2.36775   0.00000  -0.00017   0.00013  -0.00004  -2.36779
   D483       2.76615   0.00000   0.00002   0.00010   0.00012   2.76627
   D484      -1.40889   0.00000  -0.00002   0.00021   0.00019  -1.40870
   D485       0.67369   0.00000   0.00008   0.00016   0.00024   0.67392
   D486      -0.11248   0.00000   0.00032  -0.00036  -0.00004  -0.11251
   D487       1.98388   0.00000   0.00030  -0.00029   0.00001   1.98389
   D488      -2.21498   0.00000   0.00033  -0.00030   0.00003  -2.21495
   D489       3.12914   0.00000   0.00008  -0.00038  -0.00031   3.12883
   D490      -1.05769   0.00000   0.00005  -0.00032  -0.00026  -1.05795
   D491       1.02664   0.00000   0.00008  -0.00033  -0.00024   1.02640
         Item               Value     Threshold  Converged?
 Maximum Force            0.000032     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.006884     0.001800     NO 
 RMS     Displacement     0.000876     0.001200     YES
 Predicted change in Energy=-2.959876D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:45:49 2016, MaxMem=  2952790016 cpu:         8.8
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.785885   -0.576530    1.629962
      2          6           0       -2.040926    1.117373   -1.403500
      3          8           0       -2.561853    0.130584   -1.951693
      4          7           0       -0.753490    1.192456   -0.967970
      5          1           0       -2.614331    2.041842   -1.190633
      6          6           0       -0.260558    2.357288   -0.232022
      7          1           0       -1.031897    3.139988   -0.220926
      8          1           0       -0.015676    2.070830    0.803702
      9          1           0        0.649023    2.748163   -0.716082
     10          6           0        0.186136    0.081768   -1.139036
     11          1           0        0.729302   -0.083821   -0.195417
     12          1           0       -0.368759   -0.827209   -1.405387
     13          1           0        0.917417    0.315781   -1.930174
     14          6           0       -2.083062   -3.937134    2.700985
     15          8           0       -2.234202   -3.736950    3.918206
     16          7           0       -2.989766   -3.636309    1.732038
     17          1           0       -1.151871   -4.373681    2.287971
     18          6           0       -4.279035   -3.016162    2.050144
     19          1           0       -4.502962   -2.251124    1.290391
     20          1           0       -5.085001   -3.768890    2.041790
     21          1           0       -4.223202   -2.548393    3.041254
     22          6           0       -2.709145   -3.876800    0.316211
     23          1           0       -3.422196   -4.609464   -0.096184
     24          1           0       -2.812226   -2.933889   -0.246110
     25          1           0       -1.684827   -4.257808    0.201111
     26          6           0        1.610598    0.357482    2.571458
     27          8           0        1.464365    1.384959    3.254697
     28          7           0        1.206824   -0.892342    2.928632
     29          1           0        2.087577    0.378774    1.571756
     30          6           0        1.481759   -2.058789    2.088300
     31          1           0        2.229351   -2.711694    2.569475
     32          1           0        0.556304   -2.639968    1.944205
     33          1           0        1.857082   -1.726873    1.110391
     34          6           0        0.560039   -1.140129    4.219662
     35          1           0        1.302086   -1.442853    4.978148
     36          1           0        0.051961   -0.226047    4.552194
     37          1           0       -0.175021   -1.948868    4.101030
     38          6           0       -4.605613    0.976219    2.907748
     39          8           0       -4.859349    1.528386    1.823158
     40          7           0       -3.548442    1.269641    3.713564
     41          1           0       -5.228131    0.150684    3.306922
     42          6           0       -2.583732    2.318763    3.370314
     43          1           0       -2.688820    2.581334    2.309727
     44          1           0       -2.751294    3.214240    3.990972
     45          1           0       -1.565098    1.945410    3.558495
     46          6           0       -3.241792    0.469931    4.900065
     47          1           0       -4.036387   -0.270663    5.064760
     48          1           0       -2.279924   -0.052401    4.757861
     49          1           0       -3.160581    1.123024    5.783733
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.483711   0.000000
     3  O    3.732343   1.243235   0.000000
     4  N    3.308232   1.361182   2.316346   0.000000
     5  H    3.936743   1.108490   2.057881   2.057612   0.000000
     6  C    3.794851   2.465656   3.634755   1.463364   2.560995
     7  H    4.219809   2.550999   3.793789   2.104392   2.156468
     8  H    3.290116   3.143637   4.223715   2.110623   3.275854
     9  H    4.741970   3.219914   4.322982   2.109671   3.372472
    10  C    3.462596   2.470268   2.866050   1.464851   3.418650
    11  H    3.146576   3.252153   3.736600   2.103425   4.085191
    12  H    3.359231   2.564672   2.454685   2.101999   3.649681
    13  H    4.558358   3.109940   3.484262   2.118095   3.999931
    14  C    3.539642   6.511267   6.198627   6.445283   7.153676
    15  O    3.927506   7.205716   7.037107   7.096919   7.722640
    16  N    3.289680   5.773161   5.286063   5.967239   6.397215
    17  H    3.905548   6.676005   6.344383   6.460784   7.443010
    18  C    3.513425   5.832915   5.372655   6.265057   6.233561
    19  H    3.209685   4.966431   4.466715   5.569288   5.305842
    20  H    4.609223   6.709097   6.125364   7.241243   7.093474
    21  H    3.438096   6.160845   5.904788   6.488970   6.447294
    22  C    3.670168   5.324067   4.606974   5.583105   6.108182
    23  H    4.682057   6.034372   5.162476   6.445485   6.788987
    24  H    3.182792   4.283360   3.516063   4.667569   5.068450
    25  H    3.950144   5.620867   4.966057   5.651505   6.518168
    26  C    3.646216   5.450812   6.157899   4.337469   5.902578
    27  O    4.129326   5.835877   6.700029   4.773557   6.068626
    28  N    3.277589   5.775310   6.250350   4.834534   6.338692
    29  H    3.989950   5.142199   5.838963   3.896658   5.701274
    30  C    3.617273   5.889820   6.120923   4.990763   6.659169
    31  H    4.643677   6.977216   7.174618   6.054192   7.758594
    32  H    3.137256   5.663068   5.707616   4.988365   6.465252
    33  H    3.855445   5.440942   5.688013   4.433639   6.284224
    34  C    3.539428   6.594034   7.031824   5.837622   7.033694
    35  H    4.636424   7.645646   8.088784   6.821038   8.095386
    36  H    3.469864   6.454087   7.018529   5.756136   6.725511
    37  H    3.253364   6.571399   6.830560   5.991436   7.062415
    38  C    3.463326   5.018406   5.339122   5.468710   4.679474
    39  O    3.730170   4.303924   4.634850   4.976074   3.792977
    40  N    3.294898   5.336678   5.862248   5.452933   5.051734
    41  H    3.897446   5.768954   5.895971   6.275539   5.535018
    42  C    3.471038   4.952501   5.754334   4.841390   4.569448
    43  H    3.354023   4.043637   4.917519   4.051886   3.542474
    44  H    4.569061   5.831107   6.697768   5.715762   5.314350
    45  H    3.182478   5.053064   5.886365   4.659885   4.864608
    46  C    3.729385   6.449510   6.893769   6.414633   6.321488
    47  H    4.117785   6.909913   7.180938   7.022247   6.819081
    48  H    3.209756   6.275974   6.717967   6.055147   6.315240
    49  H    4.693835   7.273924   7.821779   7.168291   7.055806
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098958   0.000000
     8  H    1.102156   1.796014   0.000000
     9  H    1.102013   1.795605   1.791744   0.000000
    10  C    2.490020   3.417491   2.787710   2.739127   0.000000
    11  H    2.634422   3.673612   2.489127   2.880568   1.101302
    12  H    3.395514   4.193013   3.661062   3.780781   1.097766
    13  H    2.905012   3.833732   3.380079   2.731764   1.102467
    14  C    7.179401   7.728400   6.630942   7.989607   6.003881
    15  O    7.632784   8.116047   6.953582   8.476219   6.783534
    16  N    6.872359   7.318847   6.502188   7.745680   5.670407
    17  H    7.242288   7.922385   6.710120   7.936511   5.778033
    18  C    7.087341   7.321192   6.753320   8.072496   6.301253
    19  H    6.446177   6.587599   6.249151   7.453975   5.773399
    20  H    8.122533   8.323469   7.831555   9.108066   7.261550
    21  H    7.105111   7.292732   6.636802   8.118476   6.620789
    22  C    6.720119   7.234431   6.547269   7.498870   5.115727
    23  H    7.651800   8.110679   7.552517   8.431712   6.009598
    24  H    5.874331   6.329470   5.828380   6.669845   4.345306
    25  H    6.780534   7.438536   6.572734   7.441218   4.912068
    26  C    3.919177   4.745791   2.950473   4.177068   3.984077
    27  O    4.009737   4.625084   2.944201   4.276703   4.757842
    28  N    4.764770   5.584915   3.845806   5.181540   4.305417
    29  H    3.561161   4.535320   2.806534   3.594112   3.324467
    30  C    5.284061   6.219186   4.576709   5.627148   4.083665
    31  H    6.304174   7.257015   5.570515   6.565238   5.072594
    32  H    5.511424   6.373230   4.880525   6.009798   4.129315
    33  H    4.792374   5.814202   4.245449   4.982104   3.335141
    34  C    5.720384   6.369653   4.723398   6.283971   5.508945
    35  H    6.635420   7.313021   5.613240   7.100377   6.402324
    36  H    5.446100   5.940338   4.396750   6.079238   5.701127
    37  H    6.109471   6.731270   5.201513   6.778327   5.631359
    38  C    5.535793   5.219381   5.166498   6.624433   6.335405
    39  O    5.104872   4.628706   4.979427   6.186901   6.026957
    40  N    5.249840   5.031045   4.646466   6.279053   6.237455
    41  H    6.486140   6.244199   6.092844   7.581054   7.006110
    42  C    4.286659   3.997450   3.639214   5.228165   5.745481
    43  H    3.522378   3.075987   3.110374   4.508275   5.138791
    44  H    4.977129   4.549937   4.353124   5.825439   6.690132
    45  H    4.029825   3.999418   3.163119   4.880446   5.348531
    46  C    6.228016   6.183638   5.454437   7.202075   6.955005
    47  H    7.015619   6.971225   6.309146   8.030224   7.512722
    48  H    5.897743   6.044604   5.026958   6.810722   6.393187
    49  H    6.791380   6.682467   5.965691   7.707253   7.759475
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795102   0.000000
    13  H    1.790098   1.798910   0.000000
    14  C    5.580910   5.428882   6.966907   0.000000
    15  O    6.248967   6.347212   7.782086   1.242796   0.000000
    16  N    5.492424   4.960257   6.655590   1.360685   2.315240
    17  H    5.301785   5.179924   6.638203   1.108274   2.057798
    18  C    6.222910   5.658840   7.344922   2.468619   2.861910
    19  H    5.855033   5.136768   6.807462   3.269299   3.776289
    20  H    7.238160   6.540601   8.275872   3.078065   3.413065
    21  H    6.409170   6.131218   7.703542   2.573827   2.477465
    22  C    5.145034   4.212044   5.981299   2.466326   3.635862
    23  H    6.142168   5.034178   6.815703   3.173242   4.276440
    24  H    4.546194   3.428200   5.225578   3.197428   4.280250
    25  H    4.838121   4.010221   5.677302   2.551626   3.793402
    26  C    2.937180   4.597460   4.554879   5.666006   5.775862
    27  O    3.821115   5.474524   5.322140   6.419931   6.352448
    28  N    3.262118   4.611987   5.015109   4.488422   4.572932
    29  H    2.276357   4.043682   3.692798   6.107082   6.412705
    30  C    3.111599   4.140900   4.701616   4.075722   4.469132
    31  H    4.098840   5.108912   5.579750   4.485076   4.774258
    32  H    3.337932   3.919388   4.886477   3.036710   3.589843
    33  H    2.382570   3.477485   3.781593   4.789570   5.353768
    34  C    4.542836   5.709795   6.329919   4.137101   3.826505
    35  H    5.379667   6.627236   7.139025   4.781855   4.346457
    36  H    4.797793   6.002597   6.562292   4.664490   4.237325
    37  H    4.770289   5.622836   6.534331   3.090946   2.733292
    38  C    6.262159   6.309233   7.371941   5.526939   5.372018
    39  O    6.156856   6.011466   6.994922   6.192758   6.245349
    40  N    5.950722   6.380504   7.259857   5.503013   5.180256
    41  H    6.914649   6.839271   8.076025   5.193156   4.944792
    42  C    5.427987   6.132745   6.660716   6.311491   6.090485
    43  H    5.006232   5.550038   6.009528   6.558235   6.535640
    44  H    6.365345   7.150558   7.544566   7.297448   6.970776
    45  H    4.844988   5.810230   6.240517   5.967238   5.732914
    46  C    6.483838   7.049511   7.998433   5.059726   4.435891
    47  H    7.100434   7.458153   8.591460   4.779741   4.071561
    48  H    5.795808   6.499116   7.422153   4.400073   3.779287
    49  H    7.234493   7.954943   8.762765   6.022423   5.287506
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056851   0.000000
    18  C    1.465602   3.417392   0.000000
    19  H    2.098464   4.090259   1.101204   0.000000
    20  H    2.122154   3.986965   1.102838   1.790805   0.000000
    21  H    2.102136   3.651327   1.097372   1.797820   1.797564
    22  C    1.463267   2.561216   2.492343   2.609526   2.938361
    23  H    2.115756   3.300631   2.807046   2.941498   2.835916
    24  H    2.106652   3.354302   2.726000   2.384447   3.331249
    25  H    2.105437   2.156955   3.419140   3.627008   3.897220
    26  C    6.149661   5.485936   6.807423   6.769163   7.882800
    27  O    6.882653   6.398530   7.335357   7.258691   8.421847
    28  N    5.154858   4.253659   5.947857   6.093585   6.974818
    29  H    6.475028   5.795931   7.231058   7.101460   8.298791
    30  C    4.755000   3.512065   5.839928   6.040739   6.785937
    31  H    5.366134   3.778110   6.536168   6.868203   7.409175
    32  H    3.689488   2.458007   4.851108   5.116135   5.753982
    33  H    5.246363   4.176851   6.340137   6.384152   7.295880
    34  C    5.002030   4.137381   5.625206   5.953899   6.596968
    35  H    5.811064   4.674260   6.495954   6.924697   7.404561
    36  H    5.369848   4.876349   5.727349   5.957149   6.726236
    37  H    4.047514   3.181373   4.710433   5.169344   5.626798
    38  C    5.026796   6.397959   4.096492   3.611389   4.847242
    39  O    5.493425   6.985401   4.587069   3.833478   5.306586
    40  N    5.320424   6.294676   4.654980   4.379345   5.526539
    41  H    4.672457   6.174466   3.536833   3.218843   4.121177
    42  C    6.189644   6.928960   5.751376   5.375258   6.714227
    43  H    6.251670   7.122844   5.824785   5.261445   6.792556
    44  H    7.217318   7.939453   6.702143   6.342845   7.616403
    45  H    6.043278   6.458784   5.853014   5.602343   6.880649
    46  C    5.192410   5.886542   4.620689   4.693020   5.434589
    47  H    4.850776   5.732866   4.084674   4.287865   4.740837
    48  H    4.743825   5.103559   4.484646   4.669007   5.390527
    49  H    6.252733   6.816820   5.685375   5.777282   6.452624
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388642   0.000000
    23  H    3.838378   1.102410   0.000000
    24  H    3.598086   1.102684   1.789440   0.000000
    25  H    4.175148   1.098927   1.797359   1.795493   0.000000
    26  C    6.534374   6.455653   7.557505   6.191379   6.146484
    27  O    6.918471   7.330689   8.428523   7.014081   7.147211
    28  N    5.678061   5.573738   6.662908   5.513589   5.208396
    29  H    7.110110   6.534129   7.617227   6.187604   6.132503
    30  C    5.804689   4.899912   5.943626   4.965236   4.292369
    31  H    6.471839   5.551884   6.530487   5.778788   4.829121
    32  H    4.904649   3.852697   4.885752   4.028754   3.267790
    33  H    6.432184   5.109143   6.134813   5.009932   4.447195
    34  C    5.123598   5.780473   6.820632   5.876467   5.559506
    35  H    5.958405   6.614207   7.622015   6.814956   6.298072
    36  H    5.094434   6.236606   7.272657   6.209645   6.180894
    37  H    4.227331   4.946065   5.936289   5.179067   4.777038
    38  C    3.547810   5.819317   6.451662   5.334042   6.576619
    39  O    4.302159   6.009185   6.589574   5.327709   6.796224
    40  N    3.935058   6.223527   7.006711   5.821571   6.809044
    41  H    2.892313   5.613401   6.123850   5.289160   6.452585
    42  C    5.146392   6.908565   7.792301   6.381307   7.355485
    43  H    5.404032   6.758847   7.617994   6.079902   7.226903
    44  H    6.022991   7.986770   8.852418   7.466998   8.445822
    45  H    5.246649   6.761611   7.731227   6.311728   7.054522
    46  C    3.678128   6.339519   7.127082   6.184952   6.845131
    47  H    3.052463   6.108561   6.770360   6.066027   6.714331
    48  H    3.599034   5.876947   6.755247   5.798796   6.229250
    49  H    4.704217   7.422657   8.216039   7.275912   7.892837
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242541   0.000000
    28  N    1.361127   2.314896   0.000000
    29  H    1.107866   2.057447   2.057322   0.000000
    30  C    2.467470   3.635958   1.463676   2.564283   0.000000
    31  H    3.130926   4.223422   2.117687   3.250621   1.103045
    32  H    3.238778   4.329203   2.108666   3.405337   1.102270
    33  H    2.557344   3.799444   2.103635   2.167888   1.098791
    34  C    2.462334   2.850444   1.465089   3.413480   2.497240
    35  H    3.021348   3.315590   2.124300   3.941932   2.960217
    36  H    2.587116   2.504740   2.100859   3.659583   3.387335
    37  H    3.293520   3.810285   2.097680   4.115155   2.609231
    38  C    6.255973   6.093609   6.105438   6.851321   6.851194
    39  O    6.617490   6.485309   6.624232   7.045891   7.290252
    40  N    5.362102   5.035087   5.282314   6.094727   6.246828
    41  H    6.881270   6.805562   6.529904   7.522128   7.168642
    42  C    4.698637   4.156013   4.987443   5.368378   6.110216
    43  H    4.847578   4.424164   5.255997   5.311293   6.242876
    44  H    5.403905   4.654048   5.801662   6.107958   7.024510
    45  H    3.685214   3.095811   4.016604   4.443367   5.241986
    46  C    5.383376   5.068770   5.052971   6.283957   6.050816
    47  H    6.204801   6.022930   5.695681   7.079956   6.519712
    48  H    4.481576   4.283131   4.026039   5.423305   5.030150
    49  H    5.802492   5.277761   5.593525   6.770363   6.732866
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787511   0.000000
    33  H    1.799272   1.794717   0.000000
    34  C    2.824808   2.725296   3.419672   0.000000
    35  H    2.876019   3.345757   3.917682   1.103438   0.000000
    36  H    3.853653   3.589287   4.166167   1.097391   1.795791
    37  H    2.951029   2.379989   3.622519   1.099294   1.790875
    38  C    7.773794   6.375783   7.232125   5.734458   6.711137
    39  O    8.293668   6.835138   7.497679   6.498766   7.532960
    40  N    7.109351   5.938402   6.706363   4.789858   5.699510
    41  H    8.021912   6.565395   7.651811   6.000183   6.926477
    42  C    7.008039   6.040084   6.418353   4.750644   5.642203
    43  H    7.229939   6.158443   6.376855   5.296435   6.264333
    44  H    7.870463   7.028600   7.345031   5.475195   6.252433
    45  H    6.088072   5.303958   5.584818   3.804457   4.660094
    46  C    6.744464   5.730105   6.722060   4.184394   4.930685
    47  H    7.172486   6.036910   7.245037   4.753661   5.466335
    48  H    5.674014   4.759869   5.763915   3.088398   3.848724
    49  H    7.354447   6.535848   7.425563   4.627223   5.210382
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795323   0.000000
    38  C    5.083566   5.441526   0.000000
    39  O    5.886139   6.262821   1.243224   0.000000
    40  N    3.987893   4.678558   1.361266   2.314964   0.000000
    41  H    5.438014   5.529253   1.108322   2.058062   2.058829
    42  C    3.849646   4.954645   2.470707   2.863009   1.465996
    43  H    4.519062   5.481850   2.570625   2.461024   2.104815
    44  H    4.473118   5.771220   3.101710   3.461996   2.119874
    45  H    2.884015   4.170379   3.256921   3.746651   2.101039
    46  C    3.384407   3.986744   2.466913   3.633755   1.463336
    47  H    4.120595   4.319178   2.555667   3.797608   2.106265
    48  H    2.347369   2.908373   3.144806   4.214831   2.108907
    49  H    3.695552   4.602345   3.221949   4.328543   2.111286
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420151   0.000000
    43  H    3.653841   1.097648   0.000000
    44  H    3.998502   1.102349   1.797515   0.000000
    45  H    4.086825   1.101099   1.796266   1.789980   0.000000
    46  C    2.566236   2.488244   3.387277   2.932280   2.605408
    47  H    2.165129   3.418549   4.188081   3.866397   3.645145
    48  H    3.292171   2.764056   3.618993   3.388400   2.437356
    49  H    3.369689   2.754476   3.797096   2.784724   2.858945
                   46         47         48         49
    46  C    0.000000
    47  H    1.098629   0.000000
    48  H    1.103740   1.796381   0.000000
    49  H    1.101815   1.796196   1.791534   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2166985      0.1955250      0.1842462
 Leave Link  202 at Mon Nov 14 05:45:49 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.5869647244 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854356151 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.4015291093 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4053
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.88D-11
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     236
 GePol: Fraction of low-weight points (<1% of avg)   =       5.82%
 GePol: Cavity surface area                          =    468.271 Ang**2
 GePol: Cavity volume                                =    458.518 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040288750 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.3975002343 Hartrees.
 Leave Link  301 at Mon Nov 14 05:45:50 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37524.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:45:51 2016, MaxMem=  2952790016 cpu:        14.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:45:51 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000125    0.000479   -0.000069
         Rot=    1.000000   -0.000014    0.000019   -0.000023 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:45:52 2016, MaxMem=  2952790016 cpu:         7.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49280427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.55D-15 for   3666.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.75D-15 for   2318    516.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.10D-15 for   1817.
 Iteration    1 A^-1*A deviation from orthogonality  is 9.86D-09 for   1394   1380.
 Iteration    2 A*A^-1 deviation from unit magnitude is 9.33D-15 for    658.
 Iteration    2 A*A^-1 deviation from orthogonality  is 9.92D-15 for   1994    668.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for   2924.
 Iteration    2 A^-1*A deviation from orthogonality  is 8.12D-16 for   2049   1565.
 E= -1013.45146976318    
 DIIS: error= 5.75D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45146976318     IErMin= 1 ErrMin= 5.75D-05
 ErrMax= 5.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-06 BMatP= 4.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.17D-05 MaxDP=3.66D-04              OVMax= 6.12D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.17D-05    CP:  1.00D+00
 E= -1013.45147704281     Delta-E=       -0.000007279637 Rises=F Damp=F
 DIIS: error= 1.35D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147704281     IErMin= 2 ErrMin= 1.35D-05
 ErrMax= 1.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-07 BMatP= 4.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.452D-01 0.955D+00
 Coeff:      0.452D-01 0.955D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=3.71D-06 MaxDP=2.26D-04 DE=-7.28D-06 OVMax= 3.85D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.59D-06    CP:  1.00D+00  9.28D-01
 E= -1013.45147634652     Delta-E=        0.000000696296 Rises=F Damp=F
 DIIS: error= 4.12D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147704281     IErMin= 2 ErrMin= 1.35D-05
 ErrMax= 4.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-06 BMatP= 1.70D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.400D-02 0.715D+00 0.281D+00
 Coeff:      0.400D-02 0.715D+00 0.281D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.68D-06 MaxDP=1.79D-04 DE= 6.96D-07 OVMax= 3.27D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.74D-07    CP:  1.00D+00  9.53D-01  3.13D-01
 E= -1013.45147717311     Delta-E=       -0.000000826591 Rises=F Damp=F
 DIIS: error= 6.01D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147717311     IErMin= 4 ErrMin= 6.01D-06
 ErrMax= 6.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-08 BMatP= 1.70D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.400D-04 0.290D+00 0.156D+00 0.555D+00
 Coeff:      0.400D-04 0.290D+00 0.156D+00 0.555D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=4.54D-07 MaxDP=2.20D-05 DE=-8.27D-07 OVMax= 4.54D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.38D-07    CP:  1.00D+00  9.59D-01  3.31D-01  6.16D-01
 E= -1013.45147718503     Delta-E=       -0.000000011927 Rises=F Damp=F
 DIIS: error= 3.23D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147718503     IErMin= 5 ErrMin= 3.23D-06
 ErrMax= 3.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-09 BMatP= 1.59D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-04 0.149D+00 0.868D-01 0.374D+00 0.390D+00
 Coeff:     -0.157D-04 0.149D+00 0.868D-01 0.374D+00 0.390D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=1.24D-07 MaxDP=6.97D-06 DE=-1.19D-08 OVMax= 9.68D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.09D-08    CP:  1.00D+00  9.61D-01  3.29D-01  6.23D-01  5.81D-01
 E= -1013.45147718732     Delta-E=       -0.000000002286 Rises=F Damp=F
 DIIS: error= 1.75D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147718732     IErMin= 6 ErrMin= 1.75D-07
 ErrMax= 1.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-11 BMatP= 2.73D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.155D-04 0.449D-01 0.271D-01 0.122D+00 0.154D+00 0.653D+00
 Coeff:     -0.155D-04 0.449D-01 0.271D-01 0.122D+00 0.154D+00 0.653D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=2.07D-08 MaxDP=1.04D-06 DE=-2.29D-09 OVMax= 1.16D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.78D-08    CP:  1.00D+00  9.61D-01  3.30D-01  6.28D-01  5.80D-01
                    CP:  8.95D-01
 E= -1013.45147718742     Delta-E=       -0.000000000097 Rises=F Damp=F
 DIIS: error= 5.73D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45147718742     IErMin= 7 ErrMin= 5.73D-08
 ErrMax= 5.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-12 BMatP= 2.25D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.136D-04 0.103D-01 0.656D-02 0.305D-01 0.459D-01 0.351D+00
 Coeff-Com:  0.556D+00
 Coeff:     -0.136D-04 0.103D-01 0.656D-02 0.305D-01 0.459D-01 0.351D+00
 Coeff:      0.556D+00
 Gap=     0.189 Goal=   None    Shift=    0.000
 RMSDP=6.83D-09 MaxDP=3.28D-07 DE=-9.73D-11 OVMax= 4.04D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45147719     A.U. after    7 cycles
            NFock=  7  Conv=0.68D-08     -V/T= 2.0213
 KE= 9.923522624629D+02 PE=-6.034319442937D+03 EE= 2.177118203052D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:47:26 2016, MaxMem=  2952790016 cpu:      1069.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37524.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     369
 Leave Link  701 at Mon Nov 14 05:47:34 2016, MaxMem=  2952790016 cpu:        97.3
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:47:34 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:48:11 2016, MaxMem=  2952790016 cpu:       442.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21549008D+00-2.49757314D+00 3.31279773D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000097279   -0.000081631    0.000014764
      2        6           0.000026674    0.000001961    0.000005582
      3        8          -0.000002887    0.000048197   -0.000005968
      4        7          -0.000007968    0.000014513    0.000024511
      5        1          -0.000002397    0.000022857    0.000024910
      6        6          -0.000049412   -0.000020670   -0.000000333
      7        1           0.000013375    0.000016688    0.000020382
      8        1           0.000025423    0.000012649   -0.000005789
      9        1           0.000024734    0.000015495    0.000050691
     10        6          -0.000011031    0.000018556    0.000003636
     11        1          -0.000005552   -0.000002167   -0.000017693
     12        1          -0.000000147    0.000024531   -0.000013435
     13        1           0.000000535    0.000025003    0.000004803
     14        6           0.000015291   -0.000017874   -0.000029040
     15        8          -0.000009553   -0.000001407   -0.000033413
     16        7          -0.000039938    0.000033539   -0.000055417
     17        1          -0.000022715   -0.000025412   -0.000025747
     18        6          -0.000002245    0.000002176   -0.000006053
     19        1          -0.000025311    0.000040574    0.000001105
     20        1          -0.000010691    0.000009316   -0.000022472
     21        1          -0.000007821    0.000004818   -0.000019065
     22        6          -0.000042557   -0.000008106   -0.000009429
     23        1           0.000000690    0.000019223   -0.000047770
     24        1          -0.000009665    0.000056418   -0.000055822
     25        1          -0.000001442    0.000033906   -0.000030858
     26        6          -0.000015596   -0.000000556    0.000035341
     27        8           0.000013646   -0.000013129    0.000002803
     28        7          -0.000024417    0.000022184   -0.000001501
     29        1           0.000016103   -0.000010895    0.000009674
     30        6          -0.000000733   -0.000052244   -0.000000448
     31        1           0.000011903    0.000002782   -0.000022548
     32        1          -0.000001485   -0.000000909    0.000004434
     33        1          -0.000020829    0.000004150   -0.000015426
     34        6          -0.000012749   -0.000009514   -0.000014334
     35        1          -0.000000395   -0.000035942   -0.000009318
     36        1           0.000007195   -0.000024877    0.000008998
     37        1          -0.000001485   -0.000022607   -0.000003119
     38        6          -0.000002215    0.000010275   -0.000017149
     39        8           0.000006811    0.000016107    0.000023905
     40        7           0.000019553    0.000011721    0.000041742
     41        1           0.000021024   -0.000002735    0.000024378
     42        6           0.000019490   -0.000033600    0.000042304
     43        1           0.000019338    0.000004840    0.000026330
     44        1           0.000008335   -0.000008039    0.000020937
     45        1          -0.000028614   -0.000010983    0.000029096
     46        6          -0.000003996   -0.000007313    0.000028227
     47        1           0.000005536   -0.000026258    0.000005734
     48        1           0.000000457   -0.000028041   -0.000006473
     49        1           0.000010455   -0.000027569    0.000014334
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000097279 RMS     0.000023913
 Leave Link  716 at Mon Nov 14 05:48:11 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000023582 RMS     0.000004545
 Search for a local minimum.
 Step number 129 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .45455D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    116  117  118  119  120
                                                    121  122  123  124  125
                                                    126  127  128  129
 DE= -6.17D-07 DEPred=-2.96D-07 R= 2.09D+00
 Trust test= 2.09D+00 RLast= 4.31D-02 DXMaxT set to 2.83D-01
 ITU=  0  1  1  1  1  1  1  1  1 -1  1 -1  0 -1  1  1  1  0 -1  0
 ITU=  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1  1
 ITU= -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0  0
 ITU=  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00002   0.00022   0.00071   0.00081   0.00087
     Eigenvalues ---    0.00102   0.00130   0.00154   0.00190   0.00210
     Eigenvalues ---    0.00233   0.00238   0.00325   0.00346   0.00439
     Eigenvalues ---    0.00481   0.00607   0.00676   0.00719   0.00759
     Eigenvalues ---    0.00843   0.00863   0.00896   0.00969   0.01044
     Eigenvalues ---    0.01076   0.01179   0.01232   0.01353   0.01421
     Eigenvalues ---    0.01474   0.01598   0.01686   0.01691   0.01757
     Eigenvalues ---    0.01784   0.01840   0.01879   0.01927   0.02035
     Eigenvalues ---    0.02109   0.02232   0.02263   0.02361   0.02429
     Eigenvalues ---    0.02531   0.02571   0.02739   0.03073   0.03214
     Eigenvalues ---    0.03280   0.03776   0.04475   0.04654   0.05017
     Eigenvalues ---    0.05471   0.05884   0.05928   0.06168   0.06278
     Eigenvalues ---    0.06496   0.06605   0.06933   0.06999   0.07185
     Eigenvalues ---    0.07324   0.07535   0.07673   0.07928   0.08047
     Eigenvalues ---    0.08343   0.08500   0.08602   0.08831   0.08970
     Eigenvalues ---    0.09196   0.09371   0.09478   0.09655   0.09749
     Eigenvalues ---    0.09935   0.10150   0.10437   0.10560   0.10747
     Eigenvalues ---    0.10907   0.11160   0.11256   0.11403   0.12930
     Eigenvalues ---    0.13190   0.14098   0.14369   0.14704   0.15148
     Eigenvalues ---    0.15243   0.15408   0.20822   0.22216   0.23200
     Eigenvalues ---    0.23434   0.24611   0.24851   0.25317   0.25946
     Eigenvalues ---    0.26973   0.27448   0.28115   0.28626   0.29392
     Eigenvalues ---    0.29693   0.30632   0.32778   0.32810   0.32859
     Eigenvalues ---    0.32950   0.33237   0.33302   0.33364   0.33375
     Eigenvalues ---    0.33391   0.33423   0.33458   0.33512   0.33730
     Eigenvalues ---    0.33815   0.33827   0.33840   0.33957   0.33976
     Eigenvalues ---    0.34072   0.34236   0.34282   0.35946   0.37006
     Eigenvalues ---    0.39519   0.40848   0.86144   0.86328   0.86975
     Eigenvalues ---    0.89823
 Eigenvalue     1 is   1.62D-05 Eigenvector:
                         D399      D397      D395      D407      D379
   1                   -0.22994  -0.22735  -0.22310  -0.22248  -0.22203
                         D401      D393      D377      D381      D405
   1                   -0.22169  -0.22122  -0.22102  -0.22042  -0.21930
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   129  128  127  126  125
 RFO step:  Lambda=-7.86382021D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.50D-06 SmlDif=  1.00D-05
 RMS Error=  0.2721746871D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.35369   -1.58529   -0.06974    0.47699   -0.17565
 Iteration  1 RMS(Cart)=  0.00099723 RMS(Int)=  0.00000242
 Iteration  2 RMS(Cart)=  0.00000164 RMS(Int)=  0.00000051
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000051
 ITry= 1 IFail=0 DXMaxC= 7.72D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58326   0.00001   0.00191   0.00000   0.00190   6.58516
    R2        6.25165   0.00000  -0.00068   0.00026  -0.00042   6.25123
    R3        7.17123  -0.00002  -0.00308  -0.00055  -0.00362   7.16761
    R4        6.21742   0.00001  -0.00461  -0.00113  -0.00574   6.21167
    R5        6.54336   0.00001  -0.00001   0.00057   0.00056   6.54392
    R6        5.94617   0.00000   0.00004  -0.00072  -0.00068   5.94549
    R7        6.68895   0.00000   0.00053   0.00000   0.00053   6.68948
    R8        6.21659  -0.00001   0.00022   0.00011   0.00033   6.21693
    R9        6.63941   0.00000   0.00069   0.00013   0.00082   6.64023
   R10        6.06543   0.00000   0.00082  -0.00010   0.00072   6.06615
   R11        6.93561   0.00000   0.00050  -0.00003   0.00047   6.93608
   R12        6.01460   0.00000   0.00050  -0.00002   0.00047   6.01508
   R13        6.89035   0.00000  -0.00028   0.00048   0.00019   6.89054
   R14        6.19375   0.00000  -0.00005  -0.00015  -0.00021   6.19354
   R15        6.83566   0.00000   0.00037  -0.00041  -0.00004   6.83562
   R16        5.92855   0.00000   0.00118  -0.00026   0.00092   5.92947
   R17        6.68855   0.00000   0.00036  -0.00013   0.00023   6.68877
   R18        6.54474   0.00000   0.00073   0.00059   0.00132   6.54606
   R19        6.22645   0.00001   0.00084   0.00033   0.00117   6.22763
   R20        6.55931   0.00001  -0.00036   0.00051   0.00015   6.55946
   R21        6.01401   0.00001  -0.00052   0.00094   0.00042   6.01443
   R22        7.04752   0.00001   0.00145   0.00043   0.00188   7.04940
   R23        6.06556   0.00000   0.00117   0.00034   0.00152   6.06708
   R24        2.34937  -0.00001  -0.00001  -0.00001  -0.00002   2.34935
   R25        2.57226  -0.00001  -0.00004   0.00000  -0.00004   2.57222
   R26        2.09474   0.00000   0.00002   0.00000   0.00003   2.09477
   R27        2.76536  -0.00001  -0.00011   0.00003  -0.00008   2.76527
   R28        2.76817  -0.00001  -0.00003   0.00003   0.00000   2.76817
   R29        2.07673   0.00000   0.00001  -0.00001   0.00000   2.07673
   R30        2.08277  -0.00001   0.00006  -0.00006   0.00000   2.08278
   R31        2.08250   0.00000   0.00002  -0.00002   0.00000   2.08250
   R32        2.08116   0.00000   0.00000  -0.00001  -0.00001   2.08114
   R33        2.07448   0.00000   0.00001  -0.00001   0.00000   2.07448
   R34        2.08336   0.00000   0.00001  -0.00001   0.00000   2.08336
   R35        2.34854  -0.00001   0.00002  -0.00001   0.00001   2.34856
   R36        2.57132   0.00002   0.00005  -0.00002   0.00003   2.57135
   R37        2.09433   0.00000  -0.00001  -0.00001  -0.00002   2.09432
   R38        2.76959   0.00000  -0.00014   0.00006  -0.00007   2.76951
   R39        2.76517   0.00000  -0.00001  -0.00002  -0.00003   2.76515
   R40        2.08097   0.00001   0.00001   0.00001   0.00001   2.08099
   R41        2.08406   0.00000   0.00001   0.00000   0.00001   2.08407
   R42        2.07373   0.00000   0.00002  -0.00002  -0.00001   2.07373
   R43        2.08325   0.00000   0.00000   0.00000   0.00000   2.08325
   R44        2.08377   0.00002   0.00008   0.00000   0.00009   2.08386
   R45        2.07667   0.00000   0.00001   0.00001   0.00001   2.07668
   R46        2.34806   0.00000   0.00000  -0.00001  -0.00001   2.34805
   R47        2.57216   0.00000  -0.00001   0.00001   0.00000   2.57215
   R48        2.09356   0.00000   0.00001   0.00000   0.00002   2.09358
   R49        2.76595   0.00002   0.00005   0.00004   0.00009   2.76604
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   R60        2.77033  -0.00001  -0.00001  -0.00003  -0.00004   2.77029
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   A37        1.59024   0.00000   0.00069   0.00038   0.00107   1.59131
   A38        1.60129   0.00001   0.00032   0.00034   0.00066   1.60195
   A39        2.29210   0.00000   0.00063   0.00034   0.00097   2.29308
   A40        2.38326   0.00000   0.00043   0.00028   0.00071   2.38397
   A41        0.69466   0.00000   0.00024   0.00002   0.00026   0.69492
   A42        0.75687   0.00000   0.00026   0.00011   0.00038   0.75725
   A43        2.72932   0.00000  -0.00088   0.00012  -0.00076   2.72855
   A44        2.64961  -0.00001  -0.00062  -0.00010  -0.00073   2.64888
   A45        2.64819   0.00000   0.00015  -0.00022  -0.00008   2.64812
   A46        2.33464   0.00000   0.00025  -0.00021   0.00004   2.33468
   A47        2.24039  -0.00001  -0.00060  -0.00010  -0.00070   2.23969
   A48        1.99655  -0.00001  -0.00052  -0.00013  -0.00065   1.99590
   A49        1.10877   0.00000   0.00002   0.00017   0.00019   1.10896
   A50        1.47253   0.00000  -0.00002   0.00016   0.00014   1.47267
   A51        1.58667   0.00000  -0.00016   0.00023   0.00007   1.58674
   A52        1.83128   0.00000  -0.00010   0.00031   0.00022   1.83150
   A53        1.78820   0.00000   0.00009   0.00011   0.00021   1.78841
   A54        1.73317   0.00000   0.00099   0.00028   0.00127   1.73445
   A55        1.66304   0.00000   0.00061   0.00026   0.00086   1.66391
   A56        1.25932   0.00000   0.00042   0.00027   0.00069   1.26001
   A57        1.22048   0.00001   0.00008   0.00026   0.00034   1.22082
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   A59        1.99739   0.00000   0.00012   0.00019   0.00031   1.99770
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   A61        0.79293   0.00000   0.00050   0.00025   0.00075   0.79368
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   A63        2.83411   0.00000  -0.00035   0.00017  -0.00019   2.83393
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   A65        2.44807   0.00000  -0.00029   0.00005  -0.00023   2.44784
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   A70        1.72409   0.00000   0.00016   0.00046   0.00061   1.72471
   A71        1.52605   0.00000   0.00016   0.00018   0.00034   1.52639
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   A73        1.56657   0.00000   0.00020   0.00006   0.00026   1.56683
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   A92        1.86966   0.00001   0.00027   0.00022   0.00049   1.87015
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   A210       2.61747   0.00000  -0.00097  -0.00060  -0.00157   2.61590
   A211       2.35259  -0.00001  -0.00054  -0.00041  -0.00095   2.35164
   A212       2.30502  -0.00001   0.00008  -0.00005   0.00002   2.30504
   A213       1.99184   0.00000   0.00015   0.00001   0.00016   1.99200
   A214       1.96945  -0.00001  -0.00056  -0.00044  -0.00101   1.96844
   A215       1.69582   0.00000  -0.00050  -0.00041  -0.00090   1.69492
   A216       1.91885  -0.00001  -0.00051  -0.00034  -0.00084   1.91801
   A217       1.55188  -0.00001  -0.00026  -0.00028  -0.00054   1.55134
   A218       1.48902  -0.00001   0.00025  -0.00015   0.00010   1.48912
   A219       1.19912   0.00000   0.00037  -0.00011   0.00026   1.19938
   A220       1.22586  -0.00001  -0.00044  -0.00030  -0.00073   1.22513
   A221       0.94592   0.00000  -0.00036  -0.00027  -0.00063   0.94529
   A222       0.72860   0.00000  -0.00004  -0.00006  -0.00010   0.72851
   A223       1.02116  -0.00001  -0.00006  -0.00011  -0.00017   1.02099
   A224       0.69640   0.00000  -0.00015  -0.00005  -0.00020   0.69620
   A225       0.97875   0.00000  -0.00024  -0.00007  -0.00031   0.97844
   A226       0.65980  -0.00001  -0.00003  -0.00010  -0.00012   0.65968
   A227       0.65986   0.00000  -0.00009  -0.00003  -0.00012   0.65975
   A228       0.70218   0.00000  -0.00009  -0.00004  -0.00013   0.70206
   A229       0.84972   0.00000   0.00009   0.00000   0.00008   0.84980
   A230       0.75739   0.00000  -0.00010  -0.00011  -0.00021   0.75718
   A231       0.78236   0.00000   0.00013  -0.00005   0.00009   0.78245
   A232       1.59949   0.00002   0.00125   0.00014   0.00138   1.60087
   A233       1.85060  -0.00001  -0.00039  -0.00025  -0.00064   1.84997
   A234       2.19097   0.00001   0.00000   0.00002   0.00002   2.19099
   A235       2.12926  -0.00001  -0.00005  -0.00001  -0.00006   2.12921
   A236       1.96255   0.00000   0.00005  -0.00001   0.00004   1.96259
   A237       2.12166   0.00000   0.00007  -0.00006   0.00001   2.12167
   A238       2.12646   0.00000  -0.00023   0.00008  -0.00015   2.12631
   A239       2.03332   0.00000   0.00018  -0.00004   0.00015   2.03346
   A240       1.83749   0.00000   0.00041   0.00025   0.00067   1.83816
   A241       2.53483  -0.00001  -0.00048  -0.00031  -0.00079   2.53403
   A242       1.91301   0.00000   0.00004  -0.00004   0.00001   1.91302
   A243       1.91831   0.00001   0.00013   0.00009   0.00021   1.91852
   A244       1.91713  -0.00001   0.00012  -0.00004   0.00007   1.91721
   A245       1.90876   0.00000  -0.00003   0.00000  -0.00003   1.90873
   A246       1.90830   0.00000  -0.00004   0.00003   0.00000   1.90830
   A247       1.89819  -0.00001  -0.00022  -0.00004  -0.00026   1.89792
   A248       1.31680   0.00001   0.00014   0.00079   0.00093   1.31773
   A249       1.90743   0.00000   0.00004  -0.00002   0.00002   1.90745
   A250       1.90914   0.00000  -0.00004  -0.00002  -0.00006   1.90908
   A251       1.92660   0.00000   0.00006  -0.00004   0.00002   1.92661
   A252       1.90995   0.00000  -0.00009   0.00008  -0.00001   1.90994
   A253       1.89613   0.00000   0.00003  -0.00004  -0.00001   1.89612
   A254       1.91446   0.00000   0.00000   0.00005   0.00005   1.91450
   A255       1.72504  -0.00001  -0.00006  -0.00014  -0.00021   1.72484
   A256       1.76264   0.00002   0.00013   0.00020   0.00033   1.76297
   A257       2.19051   0.00000   0.00001  -0.00001  -0.00001   2.19050
   A258       2.13013   0.00000  -0.00006   0.00003  -0.00004   2.13010
   A259       1.96232   0.00001   0.00005  -0.00001   0.00004   1.96236
   A260       2.12371   0.00000   0.00009  -0.00007   0.00002   2.12373
   A261       2.12338   0.00000  -0.00011  -0.00001  -0.00012   2.12326
   A262       2.03561   0.00001   0.00004   0.00008   0.00012   2.03573
   A263       1.34480   0.00000   0.00010   0.00016   0.00026   1.34506
   A264       1.89980   0.00000   0.00003   0.00005   0.00008   1.89988
   A265       1.93097   0.00000   0.00001  -0.00002  -0.00001   1.93096
   A266       1.90884   0.00001   0.00006   0.00000   0.00006   1.90890
   A267       1.89689   0.00000   0.00002  -0.00002  -0.00001   1.89688
   A268       1.91488  -0.00001  -0.00006  -0.00003  -0.00009   1.91479
   A269       1.91236   0.00000  -0.00006   0.00002  -0.00004   1.91232
   A270       2.67752   0.00001  -0.00003   0.00009   0.00006   2.67757
   A271       1.68583  -0.00001   0.00004  -0.00012  -0.00008   1.68575
   A272       1.92532   0.00000   0.00020   0.00003   0.00023   1.92555
   A273       1.91236   0.00000   0.00009  -0.00001   0.00008   1.91243
   A274       1.91461   0.00000  -0.00004   0.00000  -0.00004   1.91457
   A275       1.89344   0.00000  -0.00005  -0.00001  -0.00006   1.89337
   A276       1.91059   0.00000  -0.00003   0.00002  -0.00001   1.91058
   A277       1.90731  -0.00001  -0.00017  -0.00003  -0.00020   1.90711
   A278       1.81747   0.00001  -0.00016   0.00020   0.00003   1.81750
   A279       1.74464   0.00001   0.00014  -0.00005   0.00009   1.74473
   A280       2.18964   0.00000  -0.00006   0.00007   0.00001   2.18965
   A281       2.13053  -0.00001   0.00009  -0.00005   0.00004   2.13058
   A282       1.96293   0.00000  -0.00003  -0.00002  -0.00006   1.96287
   A283       2.12396   0.00000   0.00010  -0.00002   0.00008   2.12404
   A284       2.11471   0.00000  -0.00004   0.00004   0.00000   2.11471
   A285       2.04211   0.00000  -0.00007  -0.00004  -0.00011   2.04200
   A286       2.71424   0.00001   0.00067   0.00018   0.00086   2.71510
   A287       1.64287  -0.00001  -0.00063  -0.00016  -0.00080   1.64208
   A288       1.92684   0.00000  -0.00001  -0.00002  -0.00003   1.92681
   A289       1.91509   0.00000  -0.00015   0.00002  -0.00014   1.91495
   A290       1.91176  -0.00001   0.00000  -0.00001   0.00000   1.91175
   A291       1.89017   0.00001   0.00014  -0.00001   0.00013   1.89030
   A292       1.91296   0.00000   0.00003  -0.00002   0.00001   1.91297
   A293       1.90680   0.00000   0.00000   0.00004   0.00003   1.90683
   A294       1.35125   0.00001   0.00031   0.00003   0.00034   1.35159
   A295       1.15381   0.00000  -0.00016   0.00005  -0.00011   1.15371
   A296       1.93397   0.00000  -0.00004  -0.00002  -0.00005   1.93391
   A297       1.90767   0.00000   0.00000   0.00000   0.00000   1.90767
   A298       1.90130   0.00000  -0.00002   0.00003   0.00001   1.90132
   A299       1.90877   0.00000   0.00005  -0.00003   0.00002   1.90880
   A300       1.89865   0.00000  -0.00001  -0.00002  -0.00003   1.89862
   A301       1.91338   0.00000   0.00002   0.00003   0.00005   1.91343
   A302       1.61423   0.00000  -0.00006   0.00003  -0.00003   1.61420
   A303       1.82992  -0.00001   0.00008   0.00014   0.00022   1.83014
   A304       2.18854   0.00000   0.00003   0.00001   0.00004   2.18858
   A305       2.12985   0.00000   0.00000   0.00005   0.00005   2.12991
   A306       1.96444  -0.00001  -0.00004  -0.00005  -0.00009   1.96435
   A307       2.12552   0.00000  -0.00003   0.00001  -0.00001   2.12550
   A308       2.12342   0.00000  -0.00003  -0.00003  -0.00006   2.12335
   A309       2.02978   0.00000   0.00005   0.00004   0.00009   2.02987
   A310       1.30475   0.00000  -0.00041  -0.00019  -0.00060   1.30415
   A311       3.03988   0.00001   0.00002   0.00026   0.00028   3.04016
   A312       1.91179   0.00000   0.00003   0.00003   0.00005   1.91184
   A313       1.92781   0.00000   0.00013   0.00006   0.00018   1.92800
   A314       1.90298   0.00000   0.00004  -0.00009  -0.00005   1.90293
   A315       1.91256   0.00000   0.00001  -0.00006  -0.00005   1.91251
   A316       1.91220   0.00000  -0.00013   0.00006  -0.00008   1.91213
   A317       1.89635   0.00001  -0.00007   0.00000  -0.00007   1.89629
   A318       1.79738   0.00000   0.00088   0.00007   0.00096   1.79834
   A319       1.91600   0.00000   0.00008  -0.00003   0.00006   1.91605
   A320       1.91429  -0.00001   0.00014   0.00002   0.00016   1.91445
   A321       1.91963   0.00000  -0.00005   0.00001  -0.00005   1.91958
   A322       1.90773   0.00000  -0.00007  -0.00005  -0.00012   1.90761
   A323       1.90991   0.00000  -0.00006   0.00004  -0.00002   1.90989
   A324       1.89611   0.00000  -0.00005   0.00001  -0.00003   1.89608
   A325       2.93487   0.00000   0.00019  -0.00021  -0.00002   2.93485
   A326       3.39689   0.00000  -0.00055   0.00012  -0.00043   3.39646
   A327       3.11189   0.00000  -0.00048   0.00012  -0.00037   3.11153
   A328       3.23126   0.00001   0.00014   0.00083   0.00097   3.23223
   A329       3.25716   0.00000   0.00004   0.00017   0.00021   3.25738
   A330       3.26002   0.00000   0.00036   0.00000   0.00037   3.26039
   A331       3.70729   0.00000   0.00082   0.00012   0.00094   3.70823
   A332       3.28860   0.00000  -0.00004   0.00036   0.00031   3.28892
   A333       2.93633   0.00000   0.00001  -0.00017  -0.00016   2.93617
   A334       2.88022  -0.00001  -0.00028  -0.00018  -0.00047   2.87975
   A335       3.23526   0.00000  -0.00014   0.00027   0.00013   3.23539
   A336       3.08056   0.00000   0.00013  -0.00006   0.00007   3.08063
   A337       3.10405   0.00000   0.00001   0.00004   0.00004   3.10410
   A338       3.05522   0.00000  -0.00002  -0.00001  -0.00003   3.05519
    D1        2.76082   0.00000  -0.00015   0.00003  -0.00013   2.76069
    D2       -1.35742   0.00000   0.00016   0.00001   0.00018  -1.35725
    D3        2.78656   0.00000  -0.00010   0.00014   0.00004   2.78660
    D4       -1.33168   0.00000   0.00021   0.00012   0.00034  -1.33134
    D5        1.65873   0.00000  -0.00061   0.00001  -0.00061   1.65812
    D6       -2.45951   0.00000  -0.00030  -0.00001  -0.00031  -2.45982
    D7        1.83001   0.00000  -0.00073  -0.00017  -0.00090   1.82911
    D8       -2.28823   0.00000  -0.00041  -0.00019  -0.00060  -2.28883
    D9        0.23312   0.00000   0.00045  -0.00034   0.00011   0.23323
   D10        2.39806   0.00000   0.00077  -0.00035   0.00041   2.39848
   D11       -0.03387   0.00000  -0.00008  -0.00026  -0.00034  -0.03421
   D12        2.13108   0.00000   0.00023  -0.00028  -0.00004   2.13104
   D13       -0.50204   0.00000  -0.00006  -0.00022  -0.00028  -0.50232
   D14        1.66291   0.00000   0.00026  -0.00023   0.00002   1.66293
   D15       -0.60457   0.00000  -0.00064  -0.00032  -0.00096  -0.60552
   D16        1.56038  -0.00001  -0.00032  -0.00033  -0.00065   1.55972
   D17        0.16678   0.00000  -0.00071  -0.00026  -0.00097   0.16581
   D18        2.33173   0.00000  -0.00039  -0.00028  -0.00067   2.33106
   D19        0.11067   0.00000  -0.00101  -0.00027  -0.00128   0.10939
   D20        2.27561   0.00000  -0.00069  -0.00029  -0.00098   2.27464
   D21        2.36476   0.00000  -0.00087  -0.00035  -0.00123   2.36353
   D22       -1.75348   0.00000  -0.00055  -0.00037  -0.00092  -1.75440
   D23        2.12530   0.00000  -0.00122  -0.00034  -0.00156   2.12373
   D24       -1.99294   0.00000  -0.00091  -0.00036  -0.00126  -1.99420
   D25        1.67717   0.00000  -0.00102  -0.00038  -0.00140   1.67577
   D26       -2.44107   0.00000  -0.00070  -0.00040  -0.00110  -2.44217
   D27        1.36832   0.00000  -0.00093  -0.00042  -0.00135   1.36697
   D28       -2.74992   0.00000  -0.00061  -0.00044  -0.00105  -2.75097
   D29        2.34579   0.00000  -0.00193  -0.00034  -0.00228   2.34352
   D30       -1.77244   0.00000  -0.00161  -0.00036  -0.00197  -1.77442
   D31       -1.74811   0.00000  -0.00057  -0.00014  -0.00070  -1.74882
   D32        0.41683   0.00000  -0.00025  -0.00016  -0.00040   0.41643
   D33       -2.10306   0.00000  -0.00074  -0.00014  -0.00088  -2.10394
   D34        0.06188   0.00000  -0.00042  -0.00016  -0.00058   0.06130
   D35       -2.47647   0.00000  -0.00053  -0.00009  -0.00061  -2.47708
   D36       -0.31152   0.00000  -0.00021  -0.00010  -0.00031  -0.31183
   D37       -2.76955   0.00000  -0.00072  -0.00009  -0.00081  -2.77036
   D38       -0.60461   0.00000  -0.00040  -0.00011  -0.00051  -0.60511
   D39       -2.13558   0.00000  -0.00123  -0.00019  -0.00142  -2.13700
   D40        0.02937   0.00000  -0.00092  -0.00020  -0.00112   0.02824
   D41       -2.38245   0.00000  -0.00153  -0.00027  -0.00179  -2.38425
   D42       -0.21751   0.00000  -0.00121  -0.00028  -0.00149  -0.21900
   D43        1.26327   0.00000   0.00026  -0.00014   0.00012   1.26339
   D44       -1.97207   0.00000  -0.00150  -0.00060  -0.00210  -1.97417
   D45        2.44815   0.00000  -0.00036  -0.00020  -0.00055   2.44760
   D46       -0.78719   0.00000  -0.00211  -0.00066  -0.00277  -0.78997
   D47        2.92554   0.00000  -0.00050  -0.00036  -0.00086   2.92469
   D48       -0.30980   0.00000  -0.00225  -0.00082  -0.00308  -0.31288
   D49        2.87374  -0.00001  -0.00170  -0.00093  -0.00263   2.87111
   D50       -0.36161  -0.00001  -0.00346  -0.00140  -0.00485  -0.36646
   D51        1.96018  -0.00001  -0.00021  -0.00085  -0.00106   1.95912
   D52       -1.27516  -0.00001  -0.00197  -0.00131  -0.00328  -1.27845
   D53        1.02585   0.00000   0.00038  -0.00055  -0.00017   1.02568
   D54       -2.20950   0.00000  -0.00138  -0.00101  -0.00239  -2.21189
   D55        0.95252   0.00000  -0.00050  -0.00057  -0.00106   0.95146
   D56       -2.28282   0.00000  -0.00225  -0.00103  -0.00328  -2.28611
   D57        1.98429   0.00000  -0.00086  -0.00060  -0.00146   1.98284
   D58       -1.25105   0.00000  -0.00262  -0.00106  -0.00368  -1.25473
   D59        1.79846   0.00000  -0.00093  -0.00053  -0.00146   1.79700
   D60       -1.43689   0.00000  -0.00268  -0.00100  -0.00368  -1.44057
   D61       -2.31707   0.00001  -0.00054  -0.00052  -0.00107  -2.31814
   D62        0.73077   0.00000  -0.00230  -0.00099  -0.00329   0.72748
   D63       -2.43694   0.00001  -0.00074  -0.00042  -0.00116  -2.43810
   D64        0.61090   0.00000  -0.00249  -0.00089  -0.00338   0.60752
   D65       -2.83804   0.00000  -0.00076  -0.00043  -0.00119  -2.83924
   D66        0.20980   0.00000  -0.00251  -0.00090  -0.00341   0.20638
   D67       -3.00610   0.00000  -0.00067  -0.00039  -0.00106  -3.00715
   D68        0.04174   0.00000  -0.00242  -0.00085  -0.00328   0.03847
   D69       -2.14848   0.00000  -0.00089  -0.00035  -0.00124  -2.14973
   D70        0.89935   0.00000  -0.00264  -0.00082  -0.00346   0.89589
   D71       -0.17691   0.00000  -0.00109  -0.00059  -0.00169  -0.17859
   D72        2.87093   0.00000  -0.00285  -0.00106  -0.00391   2.86702
   D73       -0.57671   0.00000  -0.00101  -0.00057  -0.00158  -0.57829
   D74        2.47113   0.00000  -0.00277  -0.00104  -0.00380   2.46733
   D75       -0.73737   0.00000  -0.00054  -0.00048  -0.00102  -0.73839
   D76        2.31047   0.00000  -0.00229  -0.00095  -0.00324   2.30723
   D77       -1.07458   0.00000  -0.00047  -0.00043  -0.00090  -1.07548
   D78        1.97325   0.00000  -0.00223  -0.00089  -0.00312   1.97014
   D79       -0.86642   0.00000  -0.00131  -0.00061  -0.00192  -0.86834
   D80        2.18142   0.00000  -0.00306  -0.00108  -0.00414   2.17728
   D81       -1.16927   0.00000  -0.00125  -0.00061  -0.00187  -1.17114
   D82        1.87857   0.00000  -0.00301  -0.00108  -0.00409   1.87448
   D83       -1.51889   0.00000   0.00015   0.00035   0.00050  -1.51839
   D84       -2.60098   0.00000  -0.00006   0.00030   0.00024  -2.60074
   D85       -2.93425   0.00000   0.00014   0.00042   0.00056  -2.93370
   D86        0.72918   0.00000  -0.00037  -0.00006  -0.00043   0.72875
   D87        0.29534  -0.00001  -0.00019  -0.00005  -0.00024   0.29509
   D88       -0.10826   0.00000   0.00047  -0.00005   0.00042  -0.10784
   D89       -0.43802  -0.00001   0.00019  -0.00007   0.00011  -0.43791
   D90        0.18204   0.00000  -0.00061  -0.00003  -0.00064   0.18140
   D91       -0.05014   0.00000  -0.00077  -0.00003  -0.00080  -0.05094
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   D309      -2.68943   0.00000  -0.00025   0.00004  -0.00021  -2.68964
   D310       2.62995   0.00000  -0.00008   0.00003  -0.00005   2.62990
   D311      -1.58716   0.00000  -0.00018   0.00002  -0.00015  -1.58731
   D312       3.01912   0.00000   0.00009   0.00011   0.00020   3.01932
   D313      -1.19799   0.00000   0.00000   0.00010   0.00010  -1.19789
   D314      -0.53790   0.00000  -0.00065  -0.00047  -0.00113  -0.53902
   D315       1.52818   0.00000  -0.00075  -0.00048  -0.00123   1.52695
   D316      -0.36903   0.00000  -0.00024  -0.00042  -0.00066  -0.36969
   D317       1.69705   0.00000  -0.00034  -0.00042  -0.00076   1.69628
   D318       0.06076   0.00000  -0.00017  -0.00044  -0.00060   0.06016
   D319       2.12684   0.00000  -0.00026  -0.00044  -0.00070   2.12614
   D320       0.20302   0.00000   0.00012  -0.00041  -0.00029   0.20273
   D321       2.26910  -0.00001   0.00002  -0.00041  -0.00039   2.26870
   D322      -0.60816   0.00000   0.00019  -0.00036  -0.00018  -0.60834
   D323       1.45791   0.00000   0.00009  -0.00037  -0.00028   1.45764
   D324      -0.65037   0.00000   0.00022  -0.00039  -0.00017  -0.65054
   D325       1.41570   0.00000   0.00012  -0.00039  -0.00027   1.41544
   D326       0.10656   0.00000   0.00053  -0.00006   0.00047   0.10703
   D327       2.27264   0.00000   0.00053   0.00003   0.00056   2.27320
   D328       0.41204   0.00000   0.00067   0.00001   0.00068   0.41272
   D329       2.57812   0.00000   0.00067   0.00010   0.00078   2.57890
   D330       0.78646   0.00000   0.00087   0.00004   0.00091   0.78737
   D331       2.95254   0.00000   0.00087   0.00013   0.00100   2.95354
   D332       1.06845   0.00000   0.00097   0.00003   0.00101   1.06945
   D333      -3.04865   0.00000   0.00097   0.00013   0.00110  -3.04756
   D334       0.34454   0.00000   0.00075   0.00017   0.00091   0.34545
   D335       2.51062   0.00000   0.00075   0.00026   0.00101   2.51163
   D336       0.74219   0.00000   0.00145   0.00028   0.00173   0.74392
   D337       2.90827   0.00000   0.00146   0.00037   0.00182   2.91010
   D338      -2.31758   0.00000   0.00119   0.00017   0.00136  -2.31623
   D339      -0.15150   0.00000   0.00119   0.00026   0.00145  -0.15005
   D340      -1.94256   0.00000   0.00112   0.00018   0.00130  -1.94126
   D341       0.22352   0.00001   0.00112   0.00027   0.00139   0.22492
   D342      -1.87162   0.00000   0.00105   0.00031   0.00136  -1.87026
   D343       0.29446   0.00000   0.00105   0.00040   0.00146   0.29592
   D344      -1.55399   0.00000   0.00102   0.00036   0.00138  -1.55261
   D345       0.61210   0.00001   0.00102   0.00045   0.00147   0.61357
   D346      -1.59350   0.00000   0.00108   0.00006   0.00115  -1.59236
   D347       0.57258   0.00001   0.00109   0.00015   0.00124   0.57382
   D348      -1.29181   0.00001   0.00107   0.00007   0.00114  -1.29067
   D349       0.87428   0.00001   0.00107   0.00016   0.00123   0.87551
   D350       1.90975   0.00000   0.00154   0.00041   0.00195   1.91170
   D351      -2.20736   0.00000   0.00154   0.00050   0.00205  -2.20531
   D352       2.36442   0.00000   0.00161   0.00045   0.00206   2.36648
   D353      -1.75268   0.00000   0.00161   0.00054   0.00215  -1.75053
   D354       2.68865   0.00000   0.00198   0.00084   0.00282   2.69146
   D355      -1.42845   0.00000   0.00198   0.00093   0.00291  -1.42554
   D356      -2.99043  -0.00001   0.00111   0.00039   0.00150  -2.98892
   D357      -0.82434  -0.00001   0.00111   0.00048   0.00160  -0.82275
   D358       2.65353   0.00000   0.00125   0.00019   0.00144   2.65497
   D359      -1.46357   0.00000   0.00125   0.00028   0.00153  -1.46204
   D360       1.64970   0.00000   0.00003   0.00002   0.00005   1.64974
   D361      -2.46741   0.00000   0.00003   0.00011   0.00014  -2.46726
   D362       1.82417   0.00000   0.00013   0.00009   0.00022   1.82439
   D363      -2.29293   0.00000   0.00013   0.00018   0.00032  -2.29262
   D364       2.75672   0.00000   0.00001   0.00003   0.00004   2.75676
   D365      -1.36039   0.00000   0.00002   0.00012   0.00013  -1.36025
   D366       2.76345   0.00000   0.00038   0.00009   0.00048   2.76393
   D367      -1.35365   0.00000   0.00039   0.00018   0.00057  -1.35308
   D368       0.08844   0.00000   0.00132   0.00012   0.00144   0.08988
   D369      -2.33219   0.00000   0.00691   0.00094   0.00785  -2.32434
   D370       0.48874   0.00000   0.00123   0.00012   0.00135   0.49009
   D371      -1.93189   0.00000   0.00682   0.00094   0.00776  -1.92413
   D372       0.70220   0.00000   0.00119   0.00004   0.00123   0.70342
   D373      -1.71843   0.00000   0.00678   0.00086   0.00764  -1.71079
   D374       0.97015   0.00000   0.00108  -0.00009   0.00098   0.97113
   D375      -1.45048   0.00000   0.00667   0.00073   0.00740  -1.44308
   D376       0.73250   0.00000   0.00133   0.00024   0.00157   0.73407
   D377      -1.68813   0.00000   0.00692   0.00106   0.00798  -1.68014
   D378       1.07496   0.00000   0.00141   0.00022   0.00163   1.07659
   D379      -1.34566   0.00000   0.00700   0.00104   0.00804  -1.33762
   D380      -2.67280   0.00000   0.00114   0.00037   0.00151  -2.67128
   D381       1.18976   0.00000   0.00674   0.00119   0.00792   1.19769
   D382      -2.16035   0.00000   0.00138   0.00025   0.00162  -2.15873
   D383       1.70221   0.00000   0.00697   0.00107   0.00804   1.71024
   D384      -1.91868   0.00000   0.00094   0.00023   0.00117  -1.91751
   D385       1.94387   0.00000   0.00654   0.00105   0.00758   1.95146
   D386      -1.59112   0.00000   0.00084   0.00019   0.00103  -1.59010
   D387       2.27144   0.00000   0.00643   0.00101   0.00744   2.27888
   D388      -1.72870   0.00000   0.00199   0.00000   0.00199  -1.72672
   D389       2.13386   0.00000   0.00758   0.00082   0.00840   2.14225
   D390      -1.17436   0.00001   0.00157  -0.00011   0.00146  -1.17290
   D391       2.68820   0.00001   0.00716   0.00071   0.00787   2.69607
   D392       1.82811   0.00000   0.00116   0.00016   0.00132   1.82943
   D393      -0.59252   0.00000   0.00675   0.00098   0.00773  -0.58479
   D394       2.13948   0.00000   0.00115   0.00024   0.00138   2.14087
   D395      -0.28114   0.00000   0.00674   0.00106   0.00779  -0.27335
   D396       2.11238   0.00000   0.00116   0.00045   0.00161   2.11400
   D397      -0.30824   0.00000   0.00675   0.00127   0.00802  -0.30022
   D398       2.34696   0.00000   0.00141   0.00072   0.00213   2.34908
   D399      -0.07367   0.00000   0.00700   0.00154   0.00854  -0.06513
   D400       2.52955   0.00000   0.00113   0.00017   0.00130   2.53084
   D401       0.10892   0.00000   0.00672   0.00099   0.00771   0.11663
   D402      -1.53207   0.00000  -0.00011  -0.00015  -0.00026  -1.53232
   D403       2.33049   0.00000   0.00549   0.00067   0.00615   2.33665
   D404      -2.62557   0.00000   0.00007  -0.00014  -0.00007  -2.62564
   D405       1.23699   0.00000   0.00566   0.00068   0.00634   1.24333
   D406      -2.97153   0.00000   0.00035  -0.00008   0.00027  -2.97125
   D407       0.89103   0.00000   0.00594   0.00075   0.00669   0.89772
   D408       1.92520   0.00000   0.00087   0.00004   0.00091   1.92611
   D409       2.43287   0.00000   0.00125   0.00023   0.00148   2.43435
   D410       2.66003   0.00000   0.00091   0.00011   0.00102   2.66105
   D411       2.88768   0.00000   0.00065  -0.00004   0.00061   2.88829
   D412       2.88555   0.00000   0.00232   0.00071   0.00303   2.88858
   D413      -2.90210   0.00000   0.00184   0.00056   0.00240  -2.89970
   D414      -0.70942   0.00000   0.00058   0.00028   0.00086  -0.70856
   D415      -0.33408   0.00000   0.00059   0.00024   0.00084  -0.33324
   D416      -0.00646   0.00000   0.00044   0.00031   0.00075  -0.00571
   D417       0.29804   0.00000   0.00045   0.00030   0.00074   0.29879
   D418      -0.22429   0.00000   0.00071   0.00010   0.00081  -0.22347
   D419       0.06738   0.00001   0.00081   0.00004   0.00085   0.06823
   D420      -2.52449   0.00000   0.00068   0.00024   0.00092  -2.52356
   D421      -2.14378   0.00000   0.00069   0.00019   0.00089  -2.14290
   D422      -1.88115   0.00000   0.00059   0.00033   0.00092  -1.88023
   D423      -1.56453   0.00000   0.00054   0.00035   0.00089  -1.56364
   D424      -1.94864   0.00000   0.00079   0.00006   0.00086  -1.94778
   D425       1.29603   0.00000  -0.00041  -0.00008  -0.00048   1.29555
   D426       2.46920   0.00000  -0.00028  -0.00011  -0.00039   2.46881
   D427       2.94647   0.00000  -0.00021  -0.00009  -0.00030   2.94617
   D428      -3.05015  -0.00001  -0.00036   0.00020  -0.00016  -3.05031
   D429       0.02562  -0.00001   0.00010  -0.00018  -0.00008   0.02554
   D430       0.06151   0.00000  -0.00026   0.00022  -0.00004   0.06147
   D431       3.13728   0.00000   0.00021  -0.00017   0.00004   3.13732
   D432      -0.11902   0.00000  -0.00006  -0.00074  -0.00080  -0.11982
   D433       1.97929   0.00001   0.00000  -0.00070  -0.00070   1.97859
   D434      -2.21604   0.00000  -0.00012  -0.00073  -0.00085  -2.21689
   D435       3.08505  -0.00001  -0.00049  -0.00037  -0.00086   3.08419
   D436      -1.09982   0.00000  -0.00042  -0.00034  -0.00076  -1.10059
   D437       0.98803  -0.00001  -0.00055  -0.00036  -0.00091   0.98712
   D438      -2.34061   0.00000  -0.00129   0.00087  -0.00041  -2.34102
   D439      -0.24990   0.00000  -0.00140   0.00094  -0.00046  -0.25036
   D440       1.85819   0.00000  -0.00138   0.00096  -0.00042   1.85776
   D441       0.73831   0.00000  -0.00085   0.00050  -0.00034   0.73797
   D442       2.82902   0.00001  -0.00096   0.00057  -0.00039   2.82863
   D443      -1.34607   0.00000  -0.00094   0.00059  -0.00035  -1.34643
   D444       0.00571  -0.00001  -0.00048  -0.00014  -0.00062   0.00510
   D445       3.11292  -0.00001   0.00005  -0.00023  -0.00017   3.11274
   D446      -3.11315  -0.00002  -0.00040  -0.00024  -0.00064  -3.11379
   D447      -0.00594  -0.00001   0.00013  -0.00033  -0.00020  -0.00614
   D448       2.43152   0.00000   0.00025  -0.00022   0.00003   2.43155
   D449      -1.76845   0.00000   0.00030  -0.00023   0.00007  -1.76839
   D450       0.33961   0.00000   0.00026  -0.00022   0.00004   0.33966
   D451      -0.67733   0.00000  -0.00025  -0.00013  -0.00039  -0.67772
   D452       1.40588   0.00000  -0.00021  -0.00014  -0.00035   1.40553
   D453      -2.76924   0.00000  -0.00024  -0.00013  -0.00037  -2.76961
   D454       2.05029  -0.00001  -0.00012  -0.00001  -0.00013   2.05016
   D455      -2.14953   0.00000  -0.00001  -0.00001  -0.00001  -2.14955
   D456      -0.05571  -0.00001  -0.00018  -0.00005  -0.00023  -0.05595
   D457      -1.12404  -0.00001   0.00039  -0.00010   0.00029  -1.12375
   D458       0.95933   0.00000   0.00050  -0.00010   0.00040   0.95973
   D459       3.05315  -0.00001   0.00032  -0.00014   0.00018   3.05333
   D460      -3.08658   0.00000   0.00001   0.00009   0.00010  -3.08648
   D461      -0.02160   0.00000  -0.00025  -0.00011  -0.00036  -0.02196
   D462       0.06909  -0.00001  -0.00007   0.00017   0.00010   0.06920
   D463       3.13407  -0.00001  -0.00033  -0.00002  -0.00036   3.13372
   D464       1.92124  -0.00001  -0.00076  -0.00044  -0.00120   1.92004
   D465      -2.27996  -0.00001  -0.00069  -0.00045  -0.00114  -2.28110
   D466      -0.18684  -0.00001  -0.00079  -0.00040  -0.00119  -0.18803
   D467      -1.14678  -0.00001  -0.00051  -0.00026  -0.00076  -1.14755
   D468       0.93521   0.00000  -0.00044  -0.00027  -0.00071   0.93450
   D469       3.02832  -0.00001  -0.00054  -0.00021  -0.00075   3.02757
   D470      -1.63205   0.00000  -0.00037   0.00033  -0.00004  -1.63209
   D471       0.47269   0.00000  -0.00032   0.00028  -0.00004   0.47265
   D472       2.56299   0.00000  -0.00031   0.00034   0.00003   2.56302
   D473       1.43639   0.00000  -0.00061   0.00014  -0.00046   1.43592
   D474      -2.74206  -0.00001  -0.00056   0.00009  -0.00047  -2.74253
   D475      -0.65176   0.00000  -0.00055   0.00016  -0.00040  -0.65216
   D476       0.01526  -0.00001  -0.00047   0.00020  -0.00027   0.01499
   D477      -3.02111   0.00000  -0.00029  -0.00009  -0.00039  -3.02150
   D478       3.12857  -0.00001  -0.00039   0.00031  -0.00008   3.12849
   D479       0.09220   0.00000  -0.00021   0.00001  -0.00020   0.09200
   D480      -0.27544   0.00000   0.00002  -0.00046  -0.00044  -0.27588
   D481       1.83277   0.00000   0.00013  -0.00047  -0.00035   1.83242
   D482      -2.36779   0.00000   0.00014  -0.00049  -0.00035  -2.36814
   D483       2.76627   0.00000  -0.00015  -0.00018  -0.00033   2.76594
   D484      -1.40870   0.00000  -0.00005  -0.00019  -0.00024  -1.40894
   D485       0.67392   0.00000  -0.00003  -0.00021  -0.00024   0.67368
   D486      -0.11251   0.00000  -0.00078   0.00007  -0.00071  -0.11322
   D487       1.98389  -0.00001  -0.00072   0.00000  -0.00073   1.98316
   D488      -2.21495   0.00000  -0.00072   0.00003  -0.00070  -2.21565
   D489       3.12883   0.00000  -0.00061  -0.00021  -0.00082   3.12801
   D490      -1.05795   0.00000  -0.00055  -0.00029  -0.00084  -1.05879
   D491       1.02640   0.00000  -0.00055  -0.00026  -0.00081   1.02559
         Item               Value     Threshold  Converged?
 Maximum Force            0.000024     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.007718     0.001800     NO 
 RMS     Displacement     0.000999     0.001200     YES
 Predicted change in Energy=-2.982250D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:48:12 2016, MaxMem=  2952790016 cpu:         8.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.786048   -0.575557    1.629891
      2          6           0       -2.039369    1.115749   -1.406318
      3          8           0       -2.559236    0.128981   -1.955530
      4          7           0       -0.752603    1.191088   -0.968929
      5          1           0       -2.613360    2.040032   -1.194142
      6          6           0       -0.261019    2.355904   -0.232142
      7          1           0       -1.032242    3.138742   -0.222748
      8          1           0       -0.018171    2.069746    0.804145
      9          1           0        0.649662    2.746587   -0.714284
     10          6           0        0.187408    0.080568   -1.138970
     11          1           0        0.729604   -0.084917   -0.194784
     12          1           0       -0.367096   -0.828492   -1.405851
     13          1           0        0.919491    0.314678   -1.929336
     14          6           0       -2.082813   -3.937085    2.699055
     15          8           0       -2.233281   -3.737405    3.916448
     16          7           0       -2.989938   -3.635563    1.730697
     17          1           0       -1.151956   -4.373732    2.285417
     18          6           0       -4.279155   -3.015907    2.049790
     19          1           0       -4.503572   -2.250251    1.290795
     20          1           0       -5.084993   -3.768777    2.041147
     21          1           0       -4.223090   -2.548918    3.041252
     22          6           0       -2.709869   -3.875357    0.314657
     23          1           0       -3.422983   -4.607779   -0.098055
     24          1           0       -2.813012   -2.932144   -0.247234
     25          1           0       -1.685558   -4.256231    0.199005
     26          6           0        1.610574    0.357948    2.571784
     27          8           0        1.464478    1.385488    3.254949
     28          7           0        1.206359   -0.891750    2.928891
     29          1           0        2.087795    0.379020    1.572183
     30          6           0        1.481227   -2.058420    2.088762
     31          1           0        2.229381   -2.710845    2.569717
     32          1           0        0.555837   -2.639870    1.945496
     33          1           0        1.855808   -1.726697    1.110513
     34          6           0        0.559589   -1.139397    4.219962
     35          1           0        1.301625   -1.442495    4.978311
     36          1           0        0.051924   -0.225141    4.552630
     37          1           0       -0.175766   -1.947863    4.101351
     38          6           0       -4.606389    0.975068    2.910797
     39          8           0       -4.861849    1.526740    1.826360
     40          7           0       -3.548597    1.269601    3.715379
     41          1           0       -5.227779    0.149198    3.311006
     42          6           0       -2.585034    2.319265    3.370661
     43          1           0       -2.691084    2.581022    2.309964
     44          1           0       -2.752674    3.215109    3.990766
     45          1           0       -1.565996    1.946835    3.558282
     46          6           0       -3.240295    0.470671    4.901942
     47          1           0       -4.034614   -0.269881    5.068247
     48          1           0       -2.278622   -0.051801    4.758907
     49          1           0       -3.157926    1.124367    5.785059
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484717   0.000000
     3  O    3.734895   1.243224   0.000000
     4  N    3.308007   1.361158   2.316328   0.000000
     5  H    3.937121   1.108505   2.057853   2.057631   0.000000
     6  C    3.792934   2.465604   3.634701   1.463320   2.561002
     7  H    4.218591   2.551008   3.793798   2.104362   2.156549
     8  H    3.287077   3.143485   4.223669   2.110739   3.275521
     9  H    4.739671   3.220160   4.323144   2.109684   3.372951
    10  C    3.462892   2.470144   2.865863   1.464852   3.418603
    11  H    3.146215   3.252172   3.736636   2.103433   4.085283
    12  H    3.360525   2.564483   2.454461   2.101957   3.649514
    13  H    4.558570   3.109682   3.483779   2.118107   3.999800
    14  C    3.539923   6.510539   6.198793   6.443736   7.152930
    15  O    3.927549   7.205730   7.038133   7.095728   7.722783
    16  N    3.289856   5.772297   5.286356   5.965753   6.396005
    17  H    3.906139   6.674639   6.343539   6.458907   7.441734
    18  C    3.513859   5.833687   5.375038   6.264826   6.233819
    19  H    3.210066   4.967562   4.469878   5.569465   5.306067
    20  H    4.609645   6.709653   6.127430   7.240886   7.093542
    21  H    3.438789   6.162735   5.908247   6.489490   6.448896
    22  C    3.670418   5.321886   4.605558   5.580982   6.105540
    23  H    4.682325   6.031974   5.160734   6.443308   6.786037
    24  H    3.183042   4.281055   3.514707   4.665530   5.065475
    25  H    3.950303   5.617866   4.963408   5.648696   6.514953
    26  C    3.646318   5.451756   6.159247   4.337670   5.903663
    27  O    4.129458   5.837560   6.702102   4.774346   6.070552
    28  N    3.277481   5.775712   6.251334   4.834124   6.339165
    29  H    3.990139   5.142735   5.839707   3.896738   5.701963
    30  C    3.617255   5.889443   6.120978   4.989868   6.658860
    31  H    4.643964   6.976669   7.174491   6.053043   7.758197
    32  H    3.137741   5.663429   5.708609   4.988199   6.465495
    33  H    3.854606   5.439333   5.686543   4.431857   6.282766
    34  C    3.539547   6.595096   7.033673   5.837602   7.034835
    35  H    4.636509   7.646590   8.090361   6.820944   8.096560
    36  H    3.470350   6.456047   7.021374   5.756785   6.727565
    37  H    3.253359   6.572150   6.832278   5.991118   7.063103
    38  C    3.464026   5.024625   5.346759   5.472714   4.685813
    39  O    3.730792   4.311092   4.643108   4.981186   3.800343
    40  N    3.295519   5.341650   5.868480   5.455868   5.056841
    41  H    3.898323   5.775233   5.904060   6.279377   5.541372
    42  C    3.471117   4.956383   5.759021   4.843824   4.573424
    43  H    3.353443   4.047531   4.921821   4.054721   3.546473
    44  H    4.569162   5.834778   6.702241   5.718000   5.318223
    45  H    3.182699   5.055891   5.890097   4.661373   4.867360
    46  C    3.730381   6.453874   6.899675   6.416755   6.325993
    47  H    4.119681   6.915270   7.188134   7.025206   6.824455
    48  H    3.210559   6.279364   6.722730   6.056535   6.318751
    49  H    4.694381   7.277853   7.827257   7.169825   7.060046
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098959   0.000000
     8  H    1.102157   1.795996   0.000000
     9  H    1.102013   1.795604   1.791575   0.000000
    10  C    2.490096   3.417520   2.788331   2.738922   0.000000
    11  H    2.634452   3.673808   2.489899   2.879877   1.101294
    12  H    3.395471   4.192982   3.661368   3.780642   1.097766
    13  H    2.905284   3.833672   3.381034   2.731911   1.102466
    14  C    7.177225   7.727093   6.628382   7.986788   6.002156
    15  O    7.630794   8.115222   6.950981   8.473322   6.781880
    16  N    6.870037   7.317084   6.499265   7.743156   5.669228
    17  H    7.240157   7.921015   6.708058   7.933661   5.775908
    18  C    7.085830   7.320285   6.750665   8.070916   6.301312
    19  H    6.444785   6.586515   6.246440   7.452822   5.774233
    20  H    8.120978   8.322489   7.828870   9.106516   7.261461
    21  H    7.104252   7.292783   6.634610   8.117274   6.621250
    22  C    6.717475   7.231931   6.544393   7.496353   5.114351
    23  H    7.649110   8.108007   7.549573   8.429287   6.008247
    24  H    5.871656   6.326720   5.825412   6.667550   4.344438
    25  H    6.777575   7.435746   6.569958   7.438199   4.909786
    26  C    3.918761   4.746230   2.950867   4.174590   3.983973
    27  O    4.009844   4.626217   2.944979   4.274498   4.758177
    28  N    4.763673   5.584714   3.845060   5.178817   4.304784
    29  H    3.560980   4.535689   2.807762   3.591870   3.324289
    30  C    5.282828   6.218609   4.576046   5.624648   4.082584
    31  H    6.302733   7.256288   5.569810   6.562297   5.071094
    32  H    5.510637   6.373039   4.879821   6.008091   4.129219
    33  H    4.790752   5.812995   4.244836   4.979452   3.333157
    34  C    5.719419   6.369778   4.722310   6.281383   5.508628
    35  H    6.634645   7.313391   5.612608   7.097824   6.401744
    36  H    5.445527   5.940989   4.395743   6.076911   5.701414
    37  H    6.108096   6.730894   5.199768   6.775658   5.630932
    38  C    5.537781   5.222558   5.166047   6.626127   6.338867
    39  O    5.108090   4.632848   4.980060   6.190287   6.031551
    40  N    5.250824   5.033346   4.645366   6.279235   6.239891
    41  H    6.487847   6.247184   6.092033   7.582460   7.009368
    42  C    4.287491   3.999411   3.638413   5.228063   5.747606
    43  H    3.523947   3.078544   3.110202   4.509332   5.141317
    44  H    4.977905   4.551859   4.352461   5.825196   6.692057
    45  H    4.029593   4.000215   3.161667   4.878890   5.349912
    46  C    6.228083   6.185188   5.452621   7.200942   6.956576
    47  H    7.016330   6.973347   6.307792   8.029893   7.515173
    48  H    5.897316   6.045652   5.025012   6.808939   6.394043
    49  H    6.790837   6.683561   5.963331   7.705244   7.760346
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795087   0.000000
    13  H    1.790085   1.798940   0.000000
    14  C    5.578816   5.427457   6.965151   0.000000
    15  O    6.246725   6.345965   7.780266   1.242802   0.000000
    16  N    5.490860   4.959524   6.654614   1.360702   2.315256
    17  H    5.299584   5.177855   6.635980   1.108265   2.057775
    18  C    6.222257   5.659544   7.345214   2.468610   2.861918
    19  H    5.855061   5.138455   6.808650   3.269355   3.776228
    20  H    7.237385   6.541071   8.276060   3.078028   3.413209
    21  H    6.408776   6.132314   7.704095   2.573887   2.477461
    22  C    5.143631   4.210952   5.980314   2.466245   3.635803
    23  H    6.140815   5.033069   6.814783   3.173281   4.276585
    24  H    4.545280   3.427863   5.225218   3.197454   4.280277
    25  H    4.836107   4.007904   5.675326   2.551453   3.793225
    26  C    2.937029   4.597870   4.554070   5.666094   5.775401
    27  O    3.821359   5.475347   5.321696   6.420442   6.352560
    28  N    3.261230   4.611914   5.013994   4.488378   4.572104
    29  H    2.276421   4.043917   3.691843   6.106765   6.411882
    30  C    3.110343   4.140211   4.700240   4.074827   4.467324
    31  H    4.097230   5.107845   5.577730   4.485020   4.773139
    32  H    3.337480   3.919747   4.886299   3.035307   3.587257
    33  H    2.380667   3.475653   3.779495   4.787694   5.351341
    34  C    4.542115   5.710094   6.329118   4.137935   3.826472
    35  H    5.378767   6.627153   7.137876   4.782511   4.346231
    36  H    4.797587   6.003591   6.562009   4.665980   4.238264
    37  H    4.769385   5.623066   6.533596   3.091968   2.733132
    38  C    6.264265   6.313309   7.375524   5.526529   5.371254
    39  O    6.160098   6.016404   6.999875   6.191771   6.244122
    40  N    5.952066   6.383646   7.262128   5.503728   5.180790
    41  H    6.916341   6.843307   8.079449   5.192592   4.943608
    42  C    5.429486   6.135364   6.662585   6.312306   6.091376
    43  H    5.008203   5.552746   6.012008   6.557981   6.535510
    44  H    6.366731   7.152983   7.546185   7.298706   6.972283
    45  H    4.845957   5.812264   6.241437   5.968742   5.734469
    46  C    6.484242   7.052046   7.999658   5.061698   4.437699
    47  H    7.101512   7.461680   8.593663   4.782362   4.073716
    48  H    5.795651   6.500878   7.422589   4.401905   3.780935
    49  H    7.234209   7.956857   8.763151   6.024748   5.289943
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056887   0.000000
    18  C    1.465563   3.417394   0.000000
    19  H    2.098497   4.090449   1.101211   0.000000
    20  H    2.122117   3.986780   1.102843   1.790810   0.000000
    21  H    2.102146   3.651451   1.097368   1.797768   1.797538
    22  C    1.463252   2.561125   2.492388   2.609824   2.938254
    23  H    2.115907   3.300497   2.807192   2.941856   2.835910
    24  H    2.106729   3.354340   2.726337   2.385058   3.331447
    25  H    2.105402   2.156768   3.419146   3.627281   3.897083
    26  C    6.149819   5.486563   6.807664   6.769521   7.883023
    27  O    6.883031   6.399557   7.335803   7.259071   8.422311
    28  N    5.154909   4.254399   5.947750   6.093619   6.974703
    29  H    6.474981   5.795977   7.231300   7.101997   8.298978
    30  C    4.754672   3.511836   5.839546   6.040808   6.785486
    31  H    5.366596   3.778817   6.536393   6.868802   7.409363
    32  H    3.689182   2.457312   4.850714   5.116449   5.753481
    33  H    5.244964   4.175385   6.338933   6.383441   7.294579
    34  C    5.002642   4.139176   5.625334   5.953958   6.597134
    35  H    5.811545   4.675884   6.495919   6.924634   7.404553
    36  H    5.370959   4.878564   5.728073   5.957615   6.727021
    37  H    4.048197   3.183615   4.710352   5.169194   5.626782
    38  C    5.026278   6.397958   4.095887   3.610770   4.846589
    39  O    5.492047   6.984956   4.585313   3.831561   5.304567
    40  N    5.320873   6.295703   4.655478   4.379491   5.527098
    41  H    4.672229   6.174225   3.536727   3.219174   4.121099
    42  C    6.189783   6.930201   5.751418   5.374673   6.714288
    43  H    6.250663   7.123070   5.823682   5.259754   6.791393
    44  H    7.217750   7.941097   6.702468   6.342369   7.616783
    45  H    6.044075   6.460741   5.853681   5.602354   6.881370
    46  C    5.194288   5.888599   4.622794   4.694642   5.436909
    47  H    4.853700   5.735456   4.087975   4.290796   4.744355
    48  H    4.745459   5.105548   4.486354   4.670266   5.392388
    49  H    6.254839   6.819128   5.687816   5.779033   6.455488
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388745   0.000000
    23  H    3.838532   1.102409   0.000000
    24  H    3.598516   1.102729   1.789434   0.000000
    25  H    4.175207   1.098934   1.797353   1.795408   0.000000
    26  C    6.534670   6.456139   7.557989   6.191904   6.146968
    27  O    6.919078   7.331233   8.429066   7.014566   7.147762
    28  N    5.677830   5.574314   6.663489   5.514192   5.209145
    29  H    7.110434   6.534423   7.617515   6.188052   6.132647
    30  C    5.804055   4.900407   5.944129   4.965959   4.293026
    31  H    6.471704   5.553159   6.531813   5.780130   4.830656
    32  H    4.903784   3.853686   4.886694   4.030214   3.269052
    33  H    6.430925   5.108379   6.134077   5.009436   4.446421
    34  C    5.123488   5.781543   6.821717   5.877432   5.560884
    35  H    5.958091   6.615177   7.623020   6.815835   6.299375
    36  H    5.095091   6.237947   7.274020   6.210829   6.182440
    37  H    4.226808   4.947318   5.937557   5.180160   4.778738
    38  C    3.547170   5.819222   6.451497   5.334385   6.576591
    39  O    4.300578   6.008238   6.588326   5.327211   6.795577
    40  N    3.935794   6.224063   7.007257   5.822202   6.809597
    41  H    2.891712   5.613824   6.124362   5.290258   6.452882
    42  C    5.146936   6.908552   7.792182   6.381100   7.355652
    43  H    5.403528   6.757694   7.616633   6.078579   7.226013
    44  H    6.023928   7.986884   8.852420   7.466793   8.446130
    45  H    5.247787   6.762208   7.731763   6.312006   7.055286
    46  C    3.680485   6.341332   7.129095   6.186738   6.846782
    47  H    3.055854   6.111548   6.773635   6.069126   6.717036
    48  H    3.600957   5.878513   6.756965   5.800292   6.230703
    49  H    4.707024   7.424506   8.218198   7.277555   7.894473
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242536   0.000000
    28  N    1.361125   2.314898   0.000000
    29  H    1.107875   2.057475   2.057291   0.000000
    30  C    2.467565   3.636038   1.463724   2.564351   0.000000
    31  H    3.130562   4.223099   2.117708   3.249983   1.103046
    32  H    3.239077   4.329411   2.108594   3.405871   1.102250
    33  H    2.557576   3.799663   2.103668   2.168179   1.098782
    34  C    2.462337   2.850459   1.465095   3.413464   2.497205
    35  H    3.021327   3.315718   2.124268   3.941788   2.959917
    36  H    2.587109   2.504677   2.100860   3.659624   3.387397
    37  H    3.293532   3.810253   2.097691   4.115190   2.609284
    38  C    6.256708   6.094449   6.105192   6.852683   6.851048
    39  O    6.619214   6.487159   6.624789   7.048363   7.290874
    40  N    5.362459   5.035509   5.282008   6.095518   6.246658
    41  H    6.881359   6.805722   6.528990   7.522895   7.167860
    42  C    4.699798   4.157388   4.988030   5.369768   6.110800
    43  H    4.849214   4.426171   5.256737   5.313268   6.243519
    44  H    5.405073   4.655460   5.802397   6.109263   7.025215
    45  H    3.686237   3.096917   4.017419   4.444415   5.242817
    46  C    5.382683   5.067975   5.051916   6.283649   6.050046
    47  H    6.204405   6.022317   5.694854   7.080073   6.519256
    48  H    4.480764   4.282345   4.024868   5.422768   5.029180
    49  H    5.800959   5.276008   5.591905   6.769155   6.731603
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787579   0.000000
    33  H    1.799272   1.794716   0.000000
    34  C    2.825060   2.724817   3.419616   0.000000
    35  H    2.875894   3.344828   3.917620   1.103440   0.000000
    36  H    3.853828   3.589149   4.166153   1.097386   1.795803
    37  H    2.951742   2.379460   3.622336   1.099288   1.790849
    38  C    7.773676   6.375591   7.231911   5.733429   6.709982
    39  O    8.294291   6.835654   7.498280   6.498432   7.532567
    40  N    7.109256   5.938251   6.706021   4.789057   5.698695
    41  H    8.021134   6.564581   7.651036   5.998359   6.924342
    42  C    7.008717   6.040628   6.418657   4.751033   5.642827
    43  H    7.230650   6.158981   6.377252   5.296838   6.265022
    44  H    7.871289   7.029236   7.345434   5.475887   6.253468
    45  H    6.089017   5.304820   5.585262   3.805360   4.661255
    46  C    6.743788   5.729455   6.721133   4.182886   4.929004
    47  H    7.172070   6.036610   7.244517   4.752089   5.464298
    48  H    5.673197   4.758943   5.762774   3.086870   3.847121
    49  H    7.353254   6.534811   7.424114   4.625373   5.208380
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795346   0.000000
    38  C    5.082912   5.439794   0.000000
    39  O    5.886153   6.261615   1.243224   0.000000
    40  N    3.987354   4.677289   1.361259   2.314982   0.000000
    41  H    5.436637   5.526766   1.108311   2.058081   2.058755
    42  C    3.850273   4.954479   2.470672   2.863014   1.465975
    43  H    4.519756   5.481486   2.570696   2.461220   2.104839
    44  H    4.474011   5.771392   3.101673   3.461771   2.119984
    45  H    2.885112   4.170892   3.256924   3.746822   2.100960
    46  C    3.383028   3.985171   2.466837   3.633720   1.463308
    47  H    4.119181   4.317547   2.555664   3.797631   2.106292
    48  H    2.346069   2.906791   3.144594   4.214818   2.109002
    49  H    3.693669   4.600733   3.222068   4.328575   2.111230
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420066   0.000000
    43  H    3.653857   1.097653   0.000000
    44  H    3.998503   1.102347   1.797486   0.000000
    45  H    4.086722   1.101065   1.796194   1.789907   0.000000
    46  C    2.566031   2.488271   3.387265   2.932568   2.605333
    47  H    2.164987   3.418590   4.188179   3.866457   3.645257
    48  H    3.291557   2.764611   3.619282   3.389316   2.438008
    49  H    3.369894   2.754144   3.796851   2.784765   2.858187
                   46         47         48         49
    46  C    0.000000
    47  H    1.098642   0.000000
    48  H    1.103744   1.796318   0.000000
    49  H    1.101817   1.796198   1.791517   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2165970      0.1954548      0.1842886
 Leave Link  202 at Mon Nov 14 05:48:12 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.4783973214 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1854125230 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.2929847984 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4053
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.17D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     236
 GePol: Fraction of low-weight points (<1% of avg)   =       5.82%
 GePol: Cavity surface area                          =    468.289 Ang**2
 GePol: Cavity volume                                =    458.524 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040309045 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.2889538940 Hartrees.
 Leave Link  301 at Mon Nov 14 05:48:12 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37524.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:48:14 2016, MaxMem=  2952790016 cpu:        13.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:48:14 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000049    0.000510   -0.000076
         Rot=    1.000000   -0.000018    0.000013   -0.000026 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:48:14 2016, MaxMem=  2952790016 cpu:         6.6
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49280427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.88D-15 for   1804.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.98D-15 for   2370    173.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.77D-15 for   2015.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.07D-10 for   1814   1795.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.12D-14 for   2015.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.83D-14 for   1367     26.
 Iteration    2 A^-1*A deviation from unit magnitude is 1.78D-15 for    896.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.30D-16 for   1942    305.
 E= -1013.45146990274    
 DIIS: error= 6.00D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45146990274     IErMin= 1 ErrMin= 6.00D-05
 ErrMax= 6.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.18D-06 BMatP= 5.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.18D-05 MaxDP=3.33D-04              OVMax= 5.39D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.18D-05    CP:  1.00D+00
 E= -1013.45147765681     Delta-E=       -0.000007754068 Rises=F Damp=F
 DIIS: error= 1.55D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147765681     IErMin= 2 ErrMin= 1.55D-05
 ErrMax= 1.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-07 BMatP= 5.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.462D-01 0.954D+00
 Coeff:      0.462D-01 0.954D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.98D-06 MaxDP=2.35D-04 DE=-7.75D-06 OVMax= 4.09D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.87D-06    CP:  1.00D+00  9.29D-01
 E= -1013.45147682844     Delta-E=        0.000000828370 Rises=F Damp=F
 DIIS: error= 4.73D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147765681     IErMin= 2 ErrMin= 1.55D-05
 ErrMax= 4.73D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-06 BMatP= 1.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.350D-02 0.718D+00 0.278D+00
 Coeff:      0.350D-02 0.718D+00 0.278D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.89D-06 MaxDP=1.84D-04 DE= 8.28D-07 OVMax= 3.41D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.48D-07    CP:  1.00D+00  9.57D-01  3.04D-01
 E= -1013.45147780661     Delta-E=       -0.000000978167 Rises=F Damp=F
 DIIS: error= 6.21D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147780661     IErMin= 4 ErrMin= 6.21D-06
 ErrMax= 6.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-08 BMatP= 1.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.813D-05 0.294D+00 0.150D+00 0.557D+00
 Coeff:     -0.813D-05 0.294D+00 0.150D+00 0.557D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.54D-07 MaxDP=2.23D-05 DE=-9.78D-07 OVMax= 4.24D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.50D-07    CP:  1.00D+00  9.63D-01  3.19D-01  6.11D-01
 E= -1013.45147781788     Delta-E=       -0.000000011268 Rises=F Damp=F
 DIIS: error= 3.33D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147781788     IErMin= 5 ErrMin= 3.33D-06
 ErrMax= 3.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-09 BMatP= 1.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-04 0.147D+00 0.811D-01 0.375D+00 0.397D+00
 Coeff:     -0.108D-04 0.147D+00 0.811D-01 0.375D+00 0.397D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.28D-07 MaxDP=7.54D-06 DE=-1.13D-08 OVMax= 9.60D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.41D-08    CP:  1.00D+00  9.64D-01  3.16D-01  6.19D-01  5.89D-01
 E= -1013.45147782035     Delta-E=       -0.000000002474 Rises=F Damp=F
 DIIS: error= 1.87D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147782035     IErMin= 6 ErrMin= 1.87D-07
 ErrMax= 1.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-11 BMatP= 2.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-04 0.483D-01 0.274D-01 0.133D+00 0.166D+00 0.626D+00
 Coeff:     -0.182D-04 0.483D-01 0.274D-01 0.133D+00 0.166D+00 0.626D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.19D-08 MaxDP=1.05D-06 DE=-2.47D-09 OVMax= 1.33D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.88D-08    CP:  1.00D+00  9.64D-01  3.18D-01  6.23D-01  5.85D-01
                    CP:  8.84D-01
 E= -1013.45147782034     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 6.02D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -1013.45147782035     IErMin= 7 ErrMin= 6.02D-08
 ErrMax= 6.02D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.28D-12 BMatP= 2.81D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-04 0.104D-01 0.622D-02 0.317D-01 0.471D-01 0.343D+00
 Coeff-Com:  0.562D+00
 Coeff:     -0.151D-04 0.104D-01 0.622D-02 0.317D-01 0.471D-01 0.343D+00
 Coeff:      0.562D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.18D-09 MaxDP=3.42D-07 DE= 1.27D-11 OVMax= 4.53D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45147782     A.U. after    7 cycles
            NFock=  7  Conv=0.72D-08     -V/T= 2.0213
 KE= 9.923522688698D+02 PE=-6.034100057171D+03 EE= 2.177007356587D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:49:49 2016, MaxMem=  2952790016 cpu:      1078.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37524.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     369
 Leave Link  701 at Mon Nov 14 05:49:58 2016, MaxMem=  2952790016 cpu:        97.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:49:58 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:50:35 2016, MaxMem=  2952790016 cpu:       442.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21639832D+00-2.49372278D+00 3.31433272D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000046168   -0.000093508    0.000017448
      2        6          -0.000003832    0.000006412   -0.000006242
      3        8          -0.000001795    0.000050426    0.000005113
      4        7           0.000009774   -0.000001872    0.000021987
      5        1           0.000003988    0.000024325    0.000030092
      6        6          -0.000015710    0.000004102    0.000008596
      7        1           0.000007964    0.000012675    0.000025132
      8        1           0.000015561    0.000009939   -0.000000431
      9        1           0.000015367    0.000015460    0.000036527
     10        6          -0.000004924    0.000017251    0.000009515
     11        1          -0.000006161    0.000010416   -0.000020791
     12        1           0.000002806    0.000025047   -0.000014766
     13        1           0.000000685    0.000023684    0.000004779
     14        6          -0.000000052   -0.000007201   -0.000010731
     15        8          -0.000011378   -0.000002671   -0.000031843
     16        7          -0.000020325    0.000009493   -0.000055831
     17        1          -0.000017587   -0.000018449   -0.000030120
     18        6          -0.000018805    0.000022005   -0.000010978
     19        1          -0.000016541    0.000036222   -0.000005874
     20        1          -0.000008970    0.000009275   -0.000024551
     21        1          -0.000000935    0.000001999   -0.000019276
     22        6          -0.000026459    0.000029234   -0.000052710
     23        1          -0.000007051    0.000014780   -0.000029101
     24        1          -0.000015587    0.000035580   -0.000033385
     25        1          -0.000005803    0.000027453   -0.000028333
     26        6          -0.000012709   -0.000018080    0.000021009
     27        8           0.000010546   -0.000011298    0.000005598
     28        7          -0.000022797    0.000001080    0.000008436
     29        1           0.000010918   -0.000006147    0.000010883
     30        6           0.000005996   -0.000016166    0.000009584
     31        1           0.000005956   -0.000006126   -0.000024131
     32        1          -0.000001938   -0.000001542   -0.000002757
     33        1          -0.000011598    0.000000498   -0.000014248
     34        6          -0.000007642    0.000001244   -0.000016520
     35        1          -0.000000951   -0.000034586   -0.000005785
     36        1           0.000009807   -0.000027576    0.000008700
     37        1          -0.000004488   -0.000022393   -0.000005544
     38        6           0.000001259    0.000019629   -0.000014688
     39        8           0.000017521    0.000007586    0.000025259
     40        7           0.000011945    0.000011276    0.000023107
     41        1           0.000011064   -0.000004425    0.000015954
     42        6           0.000034165   -0.000026671    0.000034135
     43        1           0.000013831    0.000003804    0.000023396
     44        1          -0.000006560   -0.000011668    0.000027176
     45        1          -0.000003497   -0.000019292    0.000030187
     46        6           0.000008056   -0.000030284    0.000052589
     47        1           0.000003519   -0.000018674    0.000002515
     48        1          -0.000000164   -0.000024977   -0.000011278
     49        1           0.000007366   -0.000027286    0.000012197
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000093508 RMS     0.000020659
 Leave Link  716 at Mon Nov 14 05:50:35 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000019942 RMS     0.000003846
 Search for a local minimum.
 Step number 130 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .38460D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  111  112  113  114  115
                                                    116  117  118  119  120
                                                    121  122  123  124  125
                                                    126  127  128  129  130
 DE= -6.33D-07 DEPred=-2.98D-07 R= 2.12D+00
 Trust test= 2.12D+00 RLast= 4.42D-02 DXMaxT set to 2.83D-01
 ITU=  0  0  1  1  1  1  1  1  1  1 -1  1 -1  0 -1  1  1  1  0 -1
 ITU=  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1  1
 ITU=  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0  0
 ITU=  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00002   0.00022   0.00070   0.00080   0.00086
     Eigenvalues ---    0.00105   0.00140   0.00142   0.00182   0.00203
     Eigenvalues ---    0.00223   0.00239   0.00330   0.00356   0.00433
     Eigenvalues ---    0.00473   0.00594   0.00639   0.00698   0.00725
     Eigenvalues ---    0.00829   0.00869   0.00909   0.00951   0.01047
     Eigenvalues ---    0.01058   0.01182   0.01232   0.01345   0.01421
     Eigenvalues ---    0.01475   0.01555   0.01605   0.01689   0.01759
     Eigenvalues ---    0.01783   0.01837   0.01899   0.01928   0.02034
     Eigenvalues ---    0.02107   0.02181   0.02240   0.02360   0.02372
     Eigenvalues ---    0.02523   0.02546   0.02699   0.03078   0.03170
     Eigenvalues ---    0.03229   0.03692   0.04269   0.04467   0.04967
     Eigenvalues ---    0.05374   0.05783   0.05920   0.06145   0.06277
     Eigenvalues ---    0.06497   0.06543   0.06806   0.06991   0.07071
     Eigenvalues ---    0.07322   0.07494   0.07722   0.07811   0.08043
     Eigenvalues ---    0.08313   0.08493   0.08604   0.08830   0.08999
     Eigenvalues ---    0.09175   0.09367   0.09467   0.09645   0.09749
     Eigenvalues ---    0.09903   0.10118   0.10436   0.10570   0.10748
     Eigenvalues ---    0.10908   0.11136   0.11242   0.11404   0.12938
     Eigenvalues ---    0.13145   0.14041   0.14324   0.14800   0.15186
     Eigenvalues ---    0.15228   0.15435   0.20857   0.22202   0.23111
     Eigenvalues ---    0.23373   0.24609   0.24888   0.25342   0.25835
     Eigenvalues ---    0.26989   0.27411   0.28225   0.28629   0.29405
     Eigenvalues ---    0.29656   0.30664   0.32782   0.32809   0.32857
     Eigenvalues ---    0.32952   0.33241   0.33304   0.33365   0.33375
     Eigenvalues ---    0.33391   0.33423   0.33458   0.33513   0.33731
     Eigenvalues ---    0.33813   0.33822   0.33838   0.33956   0.33982
     Eigenvalues ---    0.34079   0.34230   0.34277   0.35948   0.37072
     Eigenvalues ---    0.39644   0.40854   0.86173   0.86335   0.86987
     Eigenvalues ---    0.89967
 Eigenvalue     1 is   1.76D-05 Eigenvector:
                         D399      D397      D407      D395      D401
   1                   -0.22971  -0.22684  -0.22345  -0.22273  -0.22132
                         D379      D393      D405      D381      D377
   1                   -0.22098  -0.22082  -0.22058  -0.22024  -0.21989
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   130  129  128  127  126
 RFO step:  Lambda=-6.34338534D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.40D-06 SmlDif=  1.00D-05
 RMS Error=  0.2493781742D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.85117   -0.66041   -0.67405    0.60697   -0.12367
 Iteration  1 RMS(Cart)=  0.00074735 RMS(Int)=  0.00000075
 Iteration  2 RMS(Cart)=  0.00000047 RMS(Int)=  0.00000052
 ITry= 1 IFail=0 DXMaxC= 5.18D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58516   0.00000   0.00121  -0.00019   0.00103   6.58619
    R2        6.25123   0.00000  -0.00007  -0.00024  -0.00032   6.25091
    R3        7.16761  -0.00001  -0.00095  -0.00050  -0.00146   7.16615
    R4        6.21167   0.00001  -0.00132  -0.00046  -0.00179   6.20989
    R5        6.54392   0.00001   0.00056   0.00040   0.00095   6.54487
    R6        5.94549   0.00001  -0.00070   0.00000  -0.00070   5.94478
    R7        6.68948  -0.00001   0.00038  -0.00035   0.00003   6.68952
    R8        6.21693  -0.00001   0.00000  -0.00011  -0.00011   6.21682
    R9        6.64023  -0.00001   0.00057  -0.00031   0.00026   6.64049
   R10        6.06615   0.00000   0.00030  -0.00075  -0.00045   6.06570
   R11        6.93608   0.00000  -0.00022  -0.00008  -0.00029   6.93579
   R12        6.01508   0.00000  -0.00016   0.00016   0.00001   6.01508
   R13        6.89054   0.00000   0.00020  -0.00036  -0.00016   6.89038
   R14        6.19354   0.00000  -0.00037   0.00001  -0.00035   6.19319
   R15        6.83562   0.00000   0.00004   0.00016   0.00020   6.83582
   R16        5.92947   0.00000   0.00092   0.00051   0.00142   5.93089
   R17        6.68877   0.00000  -0.00019  -0.00012  -0.00031   6.68847
   R18        6.54606  -0.00001   0.00119  -0.00046   0.00073   6.54679
   R19        6.22763   0.00000   0.00088   0.00015   0.00103   6.22866
   R20        6.55946   0.00000   0.00026  -0.00033  -0.00007   6.55939
   R21        6.01443   0.00000   0.00045  -0.00073  -0.00027   6.01416
   R22        7.04940   0.00002   0.00099   0.00056   0.00155   7.05095
   R23        6.06708  -0.00001   0.00022   0.00065   0.00087   6.06795
   R24        2.34935  -0.00001  -0.00001  -0.00002  -0.00003   2.34932
   R25        2.57222   0.00001  -0.00004   0.00003  -0.00001   2.57221
   R26        2.09477   0.00000   0.00001   0.00000   0.00002   2.09479
   R27        2.76527   0.00000  -0.00011   0.00004  -0.00007   2.76520
   R28        2.76817  -0.00001  -0.00003  -0.00002  -0.00005   2.76812
   R29        2.07673   0.00000   0.00000   0.00000  -0.00001   2.07673
   R30        2.08278  -0.00001  -0.00001   0.00002   0.00000   2.08278
   R31        2.08250   0.00000   0.00002   0.00001   0.00003   2.08253
   R32        2.08114  -0.00001   0.00001  -0.00001   0.00000   2.08114
   R33        2.07448   0.00000   0.00000  -0.00001  -0.00001   2.07447
   R34        2.08336   0.00000   0.00000   0.00000   0.00001   2.08336
   R35        2.34856   0.00000   0.00000   0.00000   0.00001   2.34856
   R36        2.57135   0.00002   0.00006   0.00003   0.00009   2.57144
   R37        2.09432   0.00000  -0.00002   0.00001  -0.00001   2.09431
   R38        2.76951   0.00001  -0.00005   0.00000  -0.00004   2.76947
   R39        2.76515   0.00000  -0.00002   0.00001   0.00000   2.76514
   R40        2.08099   0.00000   0.00003  -0.00002   0.00002   2.08100
   R41        2.08407   0.00000   0.00001  -0.00001   0.00001   2.08408
   R42        2.07373   0.00000  -0.00001  -0.00001  -0.00002   2.07371
   R43        2.08325   0.00000   0.00000   0.00000   0.00000   2.08325
   R44        2.08386   0.00000   0.00009  -0.00001   0.00009   2.08394
   R45        2.07668   0.00000   0.00002  -0.00001   0.00001   2.07669
   R46        2.34805   0.00000  -0.00001   0.00001   0.00001   2.34806
   R47        2.57215   0.00000  -0.00001  -0.00001  -0.00002   2.57213
   R48        2.09358   0.00000   0.00002  -0.00001   0.00000   2.09359
   R49        2.76604   0.00000   0.00010  -0.00002   0.00008   2.76612
   R50        2.76863  -0.00001   0.00002  -0.00003  -0.00001   2.76862
   R51        2.08445   0.00000   0.00000   0.00000   0.00000   2.08445
   R52        2.08295   0.00000  -0.00001  -0.00004  -0.00005   2.08290
   R53        2.07640   0.00000  -0.00001   0.00001   0.00000   2.07640
   R54        2.08520   0.00000   0.00000   0.00001   0.00001   2.08521
   R55        2.07376   0.00000  -0.00001   0.00000  -0.00001   2.07375
   R56        2.07735   0.00000  -0.00002   0.00000  -0.00001   2.07734
   R57        2.34935  -0.00001  -0.00003   0.00002  -0.00001   2.34934
   R58        2.57241   0.00000   0.00001  -0.00001   0.00000   2.57241
   R59        2.09441   0.00000   0.00000   0.00000   0.00000   2.09440
   R60        2.77029  -0.00001   0.00001  -0.00002  -0.00001   2.77028
   R61        2.76525   0.00001  -0.00005   0.00003  -0.00003   2.76523
   R62        2.07426   0.00000   0.00000   0.00001   0.00001   2.07428
   R63        2.08313   0.00000   0.00000  -0.00001  -0.00001   2.08312
   R64        2.08071  -0.00001  -0.00006   0.00001  -0.00005   2.08066
   R65        2.07613   0.00000   0.00002   0.00000   0.00002   2.07615
   R66        2.08577   0.00000   0.00001   0.00001   0.00002   2.08579
   R67        2.08213   0.00000   0.00000   0.00000   0.00000   2.08213
    A1        0.68626   0.00000   0.00001   0.00004   0.00005   0.68631
    A2        0.96384   0.00000   0.00003   0.00007   0.00010   0.96394
    A3        0.72695   0.00000  -0.00013   0.00000  -0.00013   0.72682
    A4        1.02057   0.00000  -0.00010   0.00001  -0.00008   1.02049
    A5        2.37165   0.00000  -0.00095  -0.00019  -0.00114   2.37052
    A6        2.03928  -0.00001  -0.00066  -0.00023  -0.00090   2.03839
    A7        1.97101  -0.00001  -0.00005  -0.00023  -0.00028   1.97072
    A8        1.67059  -0.00001   0.00015  -0.00021  -0.00006   1.67053
    A9        1.67683  -0.00001  -0.00087  -0.00023  -0.00110   1.67573
   A10        1.39190  -0.00001  -0.00085  -0.00024  -0.00108   1.39081
   A11        1.74013   0.00000   0.00001   0.00011   0.00012   1.74025
   A12        2.04713   0.00000  -0.00015   0.00015   0.00001   2.04714
   A13        1.95536   0.00000  -0.00038   0.00018  -0.00020   1.95517
   A14        2.05015   0.00000  -0.00029   0.00025  -0.00004   2.05011
   A15        2.43883   0.00000  -0.00001   0.00012   0.00012   2.43895
   A16        1.61655   0.00000   0.00131   0.00002   0.00132   1.61787
   A17        1.81393   0.00000   0.00111   0.00010   0.00120   1.81514
   A18        1.58625   0.00001   0.00080   0.00016   0.00097   1.58722
   A19        1.71963   0.00001   0.00056   0.00018   0.00074   1.72038
   A20        2.21402   0.00000   0.00101   0.00007   0.00108   2.21510
   A21        2.43232   0.00000   0.00097   0.00011   0.00108   2.43340
   A22        0.65153   0.00000   0.00008   0.00005   0.00013   0.65166
   A23        0.66210   0.00000   0.00005   0.00002   0.00007   0.66217
   A24        2.45059   0.00000  -0.00099  -0.00006  -0.00105   2.44954
   A25        2.25898  -0.00001  -0.00070  -0.00014  -0.00084   2.25814
   A26        2.32736   0.00000  -0.00015  -0.00018  -0.00033   2.32704
   A27        2.04890   0.00000   0.00014  -0.00016  -0.00002   2.04888
   A28        1.85172  -0.00001  -0.00075  -0.00014  -0.00089   1.85083
   A29        1.60369  -0.00001  -0.00066  -0.00014  -0.00080   1.60288
   A30        1.34406   0.00000   0.00006   0.00008   0.00014   1.34420
   A31        1.64853   0.00000  -0.00006   0.00014   0.00008   1.64861
   A32        1.60721   0.00000  -0.00023   0.00019  -0.00004   1.60717
   A33        1.76930   0.00000  -0.00013   0.00027   0.00015   1.76945
   A34        2.04083   0.00000   0.00003   0.00010   0.00014   2.04097
   A35        1.88157   0.00000   0.00117   0.00003   0.00119   1.88276
   A36        1.94467   0.00000   0.00092   0.00010   0.00102   1.94569
   A37        1.59131   0.00000   0.00072   0.00013   0.00085   1.59216
   A38        1.60195   0.00001   0.00049   0.00014   0.00063   1.60258
   A39        2.29308   0.00000   0.00067   0.00010   0.00077   2.29385
   A40        2.38397   0.00000   0.00057   0.00016   0.00074   2.38471
   A41        0.69492   0.00000   0.00005   0.00003   0.00007   0.69499
   A42        0.75725   0.00000   0.00021   0.00011   0.00032   0.75757
   A43        2.72855   0.00000  -0.00070   0.00011  -0.00060   2.72796
   A44        2.64888   0.00000  -0.00064  -0.00008  -0.00072   2.64816
   A45        2.64812   0.00000  -0.00002  -0.00022  -0.00024   2.64788
   A46        2.33468  -0.00001   0.00008  -0.00022  -0.00014   2.33454
   A47        2.23969  -0.00001  -0.00066  -0.00008  -0.00074   2.23895
   A48        1.99590  -0.00001  -0.00061  -0.00010  -0.00071   1.99519
   A49        1.10896   0.00000   0.00010   0.00011   0.00022   1.10918
   A50        1.47267   0.00000   0.00004   0.00016   0.00020   1.47288
   A51        1.58674   0.00000  -0.00008   0.00023   0.00015   1.58689
   A52        1.83150   0.00000   0.00002   0.00029   0.00031   1.83181
   A53        1.78841   0.00000   0.00015   0.00008   0.00023   1.78864
   A54        1.73445   0.00000   0.00091  -0.00001   0.00090   1.73535
   A55        1.66391   0.00000   0.00069   0.00005   0.00074   1.66465
   A56        1.26001   0.00000   0.00060   0.00006   0.00066   1.26067
   A57        1.22082   0.00001   0.00040   0.00009   0.00049   1.22131
   A58        1.95044   0.00000   0.00043   0.00006   0.00049   1.95093
   A59        1.99770   0.00000   0.00045   0.00012   0.00057   1.99827
   A60        0.85019   0.00000   0.00010   0.00001   0.00011   0.85030
   A61        0.79368   0.00000   0.00032   0.00010   0.00041   0.79409
   A62        2.65764   0.00000  -0.00017   0.00015  -0.00002   2.65763
   A63        2.83393   0.00000  -0.00045   0.00003  -0.00042   2.83351
   A64        2.58415  -0.00001   0.00002  -0.00021  -0.00019   2.58396
   A65        2.44784  -0.00001  -0.00048  -0.00003  -0.00051   2.44733
   A66        2.24105  -0.00001  -0.00047  -0.00006  -0.00053   2.24052
   A67        0.87352   0.00000   0.00014   0.00008   0.00022   0.87374
   A68        1.25156   0.00000   0.00011   0.00012   0.00023   1.25178
   A69        1.44646   0.00000   0.00004   0.00017   0.00021   1.44666
   A70        1.72471   0.00000   0.00012   0.00021   0.00033   1.72504
   A71        1.52639   0.00000   0.00018   0.00004   0.00022   1.52660
   A72        1.74217   0.00000   0.00062   0.00003   0.00065   1.74283
   A73        1.56683   0.00000   0.00045   0.00007   0.00051   1.56734
   A74        1.13584   0.00000   0.00044   0.00006   0.00050   1.13635
   A75        1.02069   0.00001   0.00030   0.00007   0.00037   1.02107
   A76        1.77655   0.00000   0.00018   0.00008   0.00027   1.77682
   A77        1.76813   0.00000   0.00027   0.00013   0.00040   1.76854
   A78        2.05918   0.00000  -0.00090   0.00002  -0.00088   2.05830
   A79        1.99246   0.00000  -0.00063  -0.00002  -0.00065   1.99181
   A80        2.25425   0.00000  -0.00028  -0.00004  -0.00032   2.25393
   A81        2.09074   0.00000   0.00019  -0.00002   0.00017   2.09091
   A82        1.59806   0.00000  -0.00056  -0.00003  -0.00059   1.59747
   A83        1.42287   0.00000  -0.00039  -0.00002  -0.00040   1.42246
   A84        1.18874   0.00000   0.00002   0.00002   0.00004   1.18878
   A85        1.38459   0.00000  -0.00012   0.00011  -0.00002   1.38457
   A86        1.22851   0.00000  -0.00025   0.00018  -0.00007   1.22844
   A87        1.34871   0.00000  -0.00012   0.00029   0.00017   1.34888
   A88        1.81071   0.00000  -0.00010   0.00011   0.00001   1.81071
   A89        2.31154   0.00000   0.00115   0.00001   0.00116   2.31270
   A90        2.35280   0.00000   0.00080   0.00007   0.00088   2.35368
   A91        1.95428   0.00000   0.00064   0.00009   0.00072   1.95500
   A92        1.87015   0.00000   0.00039   0.00008   0.00047   1.87062
   A93        2.62674   0.00000   0.00029   0.00009   0.00038   2.62712
   A94        2.56038   0.00000   0.00002   0.00015   0.00017   2.56055
   A95        1.97174   0.00000  -0.00090   0.00001  -0.00089   1.97085
   A96        2.04364   0.00000  -0.00071  -0.00004  -0.00075   2.04289
   A97        2.41120   0.00000  -0.00052  -0.00005  -0.00058   2.41063
   A98        2.34199   0.00000   0.00002  -0.00004  -0.00002   2.34197
   A99        1.70483   0.00000  -0.00057  -0.00007  -0.00064   1.70419
   A100       1.60221   0.00000  -0.00037  -0.00005  -0.00042   1.60179
   A101       0.88287   0.00001   0.00013   0.00007   0.00019   0.88306
   A102       1.06429   0.00001  -0.00008   0.00013   0.00006   1.06434
   A103       0.94626   0.00000  -0.00027   0.00017  -0.00010   0.94616
   A104       1.11982   0.00000  -0.00018   0.00024   0.00005   1.11987
   A105       1.49006   0.00000  -0.00005   0.00013   0.00008   1.49014
   A106       2.49087   0.00000   0.00114   0.00009   0.00123   2.49211
   A107       2.35652   0.00000   0.00069   0.00016   0.00086   2.35738
   A108       1.92287   0.00000   0.00071   0.00015   0.00087   1.92373
   A109       1.74418   0.00000   0.00050   0.00015   0.00065   1.74483
   A110       2.46016   0.00000   0.00003   0.00019   0.00021   2.46038
   A111       2.29490   0.00000  -0.00008   0.00021   0.00013   2.29503
   A112       0.71504   0.00000  -0.00006   0.00004  -0.00002   0.71502
   A113       1.00691   0.00000  -0.00004   0.00006   0.00002   1.00693
   A114       0.69728   0.00000  -0.00002   0.00003   0.00002   0.69729
   A115       0.98606   0.00001   0.00001   0.00004   0.00006   0.98612
   A116       1.81645   0.00000  -0.00004   0.00008   0.00004   1.81648
   A117       1.43561   0.00000  -0.00001   0.00006   0.00005   1.43566
   A118       1.21122   0.00000  -0.00021  -0.00002  -0.00023   1.21099
   A119       0.93657   0.00000  -0.00039  -0.00008  -0.00048   0.93610
   A120       1.24852   0.00000   0.00019   0.00016   0.00035   1.24888
   A121       1.81846   0.00000  -0.00024  -0.00012  -0.00035   1.81811
   A122       1.87100   0.00000   0.00009  -0.00009   0.00000   1.87100
   A123       2.24104   0.00000   0.00027  -0.00007   0.00020   2.24125
   A124       2.18388   0.00000   0.00046  -0.00002   0.00044   2.18431
   A125       1.53952   0.00000   0.00032  -0.00004   0.00028   1.53979
   A126       1.41789   0.00000   0.00027  -0.00004   0.00023   1.41813
   A127       0.65704   0.00000   0.00001   0.00006   0.00006   0.65710
   A128       0.66222   0.00000   0.00004   0.00000   0.00004   0.66226
   A129       2.17863   0.00001   0.00002   0.00010   0.00011   2.17875
   A130       1.80517   0.00001   0.00006   0.00009   0.00015   1.80532
   A131       1.51612   0.00001  -0.00005   0.00003  -0.00001   1.51610
   A132       1.22187   0.00000  -0.00012   0.00002  -0.00010   1.22177
   A133       1.64278   0.00001   0.00017   0.00019   0.00036   1.64313
   A134       1.67809   0.00000  -0.00026  -0.00015  -0.00041   1.67768
   A135       1.88144   0.00000  -0.00001  -0.00011  -0.00013   1.88131
   A136       2.31326   0.00000   0.00000  -0.00010  -0.00010   2.31316
   A137       2.40968   0.00000   0.00023  -0.00004   0.00020   2.40988
   A138       1.66226   0.00000   0.00029  -0.00006   0.00022   1.66248
   A139       1.63657   0.00000   0.00020  -0.00005   0.00015   1.63672
   A140       0.70729   0.00000   0.00001   0.00002   0.00003   0.70732
   A141       0.83306   0.00000   0.00005  -0.00002   0.00003   0.83309
   A142       2.51129   0.00000  -0.00018   0.00012  -0.00007   2.51123
   A143       2.13345   0.00000  -0.00017   0.00008  -0.00008   2.13337
   A144       1.91878   0.00001  -0.00020   0.00003  -0.00017   1.91861
   A145       1.63146   0.00000  -0.00029   0.00000  -0.00029   1.63117
   A146       1.84638   0.00001  -0.00014   0.00014   0.00000   1.84638
   A147       1.25458   0.00000  -0.00022  -0.00017  -0.00040   1.25418
   A148       1.50451   0.00000  -0.00004  -0.00014  -0.00018   1.50432
   A149       1.93472   0.00000  -0.00011  -0.00013  -0.00024   1.93449
   A150       2.12593   0.00000   0.00000  -0.00008  -0.00008   2.12585
   A151       1.38306   0.00000   0.00023  -0.00009   0.00014   1.38320
   A152       1.45854   0.00000   0.00009  -0.00009   0.00000   1.45854
   A153       0.76707   0.00000   0.00012   0.00008   0.00020   0.76726
   A154       0.76458   0.00000   0.00018   0.00003   0.00021   0.76479
   A155       2.82225   0.00001  -0.00012   0.00014   0.00001   2.82226
   A156       2.44101   0.00001  -0.00010   0.00011   0.00002   2.44103
   A157       2.17025   0.00001   0.00002   0.00010   0.00013   2.17038
   A158       1.87469   0.00001  -0.00002   0.00010   0.00008   1.87477
   A159       2.15941   0.00001  -0.00023   0.00012  -0.00010   2.15930
   A160       1.14103   0.00000  -0.00034  -0.00024  -0.00058   1.14045
   A161       1.47684   0.00000  -0.00025  -0.00020  -0.00045   1.47638
   A162       1.86837   0.00000  -0.00039  -0.00020  -0.00059   1.86778
   A163       2.13649   0.00000  -0.00035  -0.00017  -0.00051   2.13598
   A164       1.47962   0.00000   0.00001  -0.00016  -0.00015   1.47947
   A165       1.62901   0.00000  -0.00012  -0.00015  -0.00027   1.62873
   A166       2.16179   0.00001   0.00017   0.00007   0.00024   2.16203
   A167       1.85990   0.00001   0.00027   0.00012   0.00038   1.86028
   A168       1.47490   0.00001   0.00020   0.00009   0.00029   1.47519
   A169       1.19440   0.00001   0.00026   0.00014   0.00040   1.19480
   A170       1.86063   0.00001   0.00037   0.00022   0.00060   1.86123
   A171       1.90712   0.00000  -0.00021  -0.00016  -0.00037   1.90674
   A172       2.20870   0.00000  -0.00005  -0.00012  -0.00017   2.20853
   A173       2.62912   0.00000  -0.00020  -0.00012  -0.00031   2.62880
   A174       2.05820   0.00000   0.00029  -0.00006   0.00023   2.05842
   A175       2.04573   0.00000   0.00021  -0.00004   0.00017   2.04590
   A176       2.26845   0.00001   0.00026   0.00010   0.00036   2.26880
   A177       2.04528   0.00001   0.00038   0.00017   0.00055   2.04583
   A178       1.63356   0.00001   0.00035   0.00017   0.00052   1.63409
   A179       1.38273   0.00001   0.00047   0.00024   0.00071   1.38343
   A180       2.12634   0.00001   0.00046   0.00026   0.00072   2.12707
   A181       1.86167   0.00000  -0.00017  -0.00021  -0.00037   1.86130
   A182       2.23339   0.00000  -0.00010  -0.00018  -0.00028   2.23311
   A183       2.56610   0.00000  -0.00042  -0.00017  -0.00058   2.56551
   A184       2.21322   0.00000   0.00027  -0.00012   0.00015   2.21336
   A185       2.27316   0.00000   0.00020  -0.00008   0.00011   2.27328
   A186       0.69319   0.00000   0.00000   0.00001   0.00001   0.69320
   A187       0.98507   0.00000   0.00001   0.00000   0.00001   0.98509
   A188       0.69890   0.00000  -0.00001   0.00001   0.00001   0.69890
   A189       2.15114   0.00000  -0.00012   0.00012   0.00000   2.15113
   A190       1.76338  -0.00001  -0.00016   0.00010  -0.00006   1.76332
   A191       1.44180   0.00000   0.00013   0.00007   0.00020   1.44200
   A192       1.13314   0.00000   0.00009   0.00006   0.00015   1.13329
   A193       1.63561   0.00000  -0.00045   0.00012  -0.00034   1.63527
   A194       1.41962   0.00000  -0.00032   0.00014  -0.00018   1.41944
   A195       0.66846   0.00000  -0.00003  -0.00004  -0.00008   0.66838
   A196       2.26528  -0.00001  -0.00047   0.00001  -0.00045   2.26483
   A197       1.86661  -0.00001  -0.00034   0.00000  -0.00034   1.86626
   A198       1.66278  -0.00001   0.00004  -0.00001   0.00003   1.66281
   A199       1.34200  -0.00001   0.00007  -0.00002   0.00005   1.34205
   A200       1.60615  -0.00001  -0.00054   0.00001  -0.00052   1.60562
   A201       1.33825   0.00000  -0.00042   0.00003  -0.00039   1.33786
   A202       0.71254   0.00000   0.00002   0.00000   0.00002   0.71256
   A203       2.63007   0.00000  -0.00065  -0.00008  -0.00073   2.62934
   A204       2.25536  -0.00001  -0.00040  -0.00007  -0.00046   2.25489
   A205       2.07850  -0.00001   0.00006  -0.00002   0.00004   2.07855
   A206       1.75746   0.00000   0.00009  -0.00003   0.00006   1.75752
   A207       1.93459  -0.00001  -0.00055  -0.00007  -0.00062   1.93397
   A208       1.65271   0.00000  -0.00046  -0.00005  -0.00051   1.65220
   A209       0.83252   0.00000  -0.00013  -0.00006  -0.00019   0.83233
   A210       2.61590   0.00000  -0.00103  -0.00028  -0.00130   2.61460
   A211       2.35164  -0.00001  -0.00069  -0.00024  -0.00093   2.35071
   A212       2.30504  -0.00001  -0.00011  -0.00014  -0.00025   2.30479
   A213       1.99200   0.00000  -0.00002  -0.00012  -0.00015   1.99185
   A214       1.96844  -0.00001  -0.00072  -0.00023  -0.00095   1.96749
   A215       1.69492   0.00000  -0.00066  -0.00021  -0.00087   1.69405
   A216       1.91801   0.00000  -0.00065  -0.00007  -0.00073   1.91728
   A217       1.55134  -0.00001  -0.00046  -0.00011  -0.00056   1.55078
   A218       1.48912  -0.00001  -0.00007  -0.00014  -0.00022   1.48890
   A219       1.19938  -0.00001   0.00003  -0.00015  -0.00012   1.19926
   A220       1.22513  -0.00001  -0.00057  -0.00005  -0.00062   1.22450
   A221       0.94529   0.00000  -0.00047  -0.00003  -0.00050   0.94479
   A222       0.72851   0.00000  -0.00008   0.00004  -0.00004   0.72847
   A223       1.02099   0.00000  -0.00014   0.00006  -0.00008   1.02091
   A224       0.69620   0.00000  -0.00013  -0.00002  -0.00015   0.69605
   A225       0.97844   0.00000  -0.00022  -0.00003  -0.00026   0.97818
   A226       0.65968   0.00000  -0.00010   0.00004  -0.00006   0.65962
   A227       0.65975   0.00000  -0.00006  -0.00004  -0.00010   0.65964
   A228       0.70206   0.00000  -0.00007  -0.00003  -0.00010   0.70196
   A229       0.84980   0.00000   0.00011  -0.00003   0.00008   0.84988
   A230       0.75718   0.00000  -0.00015   0.00002  -0.00013   0.75705
   A231       0.78245   0.00000   0.00012   0.00002   0.00013   0.78258
   A232       1.60087   0.00001   0.00070   0.00013   0.00083   1.60171
   A233       1.84997  -0.00001  -0.00026  -0.00020  -0.00046   1.84951
   A234       2.19099   0.00000   0.00003   0.00002   0.00005   2.19104
   A235       2.12921   0.00000  -0.00005  -0.00001  -0.00006   2.12915
   A236       1.96259   0.00000   0.00002  -0.00002   0.00001   1.96260
   A237       2.12167   0.00000   0.00002  -0.00003  -0.00001   2.12166
   A238       2.12631   0.00000  -0.00008   0.00003  -0.00004   2.12626
   A239       2.03346   0.00000   0.00008   0.00001   0.00009   2.03355
   A240       1.83816   0.00000   0.00021  -0.00021   0.00000   1.83817
   A241       2.53403   0.00000  -0.00026   0.00018  -0.00007   2.53396
   A242       1.91302   0.00000   0.00006  -0.00002   0.00004   1.91306
   A243       1.91852   0.00001   0.00010   0.00002   0.00012   1.91864
   A244       1.91721   0.00000   0.00004   0.00000   0.00004   1.91724
   A245       1.90873   0.00000   0.00007  -0.00002   0.00005   1.90878
   A246       1.90830   0.00000   0.00000   0.00002   0.00002   1.90832
   A247       1.89792  -0.00001  -0.00027   0.00000  -0.00027   1.89766
   A248       1.31773   0.00001   0.00087   0.00051   0.00138   1.31910
   A249       1.90745   0.00000   0.00005   0.00004   0.00009   1.90754
   A250       1.90908   0.00000  -0.00005   0.00002  -0.00003   1.90906
   A251       1.92661   0.00000  -0.00002  -0.00003  -0.00006   1.92656
   A252       1.90994   0.00000   0.00001   0.00002   0.00002   1.90997
   A253       1.89612   0.00000  -0.00004  -0.00003  -0.00007   1.89606
   A254       1.91450   0.00000   0.00005  -0.00002   0.00003   1.91454
   A255       1.72484  -0.00001  -0.00011  -0.00016  -0.00027   1.72456
   A256       1.76297   0.00001   0.00030   0.00010   0.00040   1.76338
   A257       2.19050   0.00000  -0.00004   0.00003  -0.00001   2.19049
   A258       2.13010   0.00000  -0.00001  -0.00001  -0.00002   2.13008
   A259       1.96236   0.00000   0.00005  -0.00001   0.00003   1.96239
   A260       2.12373  -0.00001  -0.00003  -0.00003  -0.00006   2.12367
   A261       2.12326   0.00001  -0.00010   0.00004  -0.00006   2.12320
   A262       2.03573   0.00000   0.00014  -0.00002   0.00012   2.03585
   A263       1.34506   0.00000   0.00039   0.00022   0.00061   1.34567
   A264       1.89988   0.00000   0.00011   0.00006   0.00017   1.90005
   A265       1.93096   0.00000   0.00001  -0.00006  -0.00004   1.93091
   A266       1.90890   0.00000   0.00006  -0.00004   0.00003   1.90893
   A267       1.89688   0.00000  -0.00003   0.00000  -0.00003   1.89685
   A268       1.91479   0.00000  -0.00011   0.00002  -0.00009   1.91470
   A269       1.91232   0.00000  -0.00005   0.00002  -0.00003   1.91229
   A270       2.67757   0.00001   0.00021   0.00017   0.00037   2.67795
   A271       1.68575  -0.00001  -0.00027  -0.00016  -0.00042   1.68532
   A272       1.92555   0.00000   0.00026  -0.00003   0.00023   1.92578
   A273       1.91243   0.00000   0.00009   0.00000   0.00009   1.91253
   A274       1.91457   0.00000  -0.00002  -0.00001  -0.00004   1.91454
   A275       1.89337   0.00000  -0.00010   0.00002  -0.00008   1.89329
   A276       1.91058   0.00000   0.00000   0.00001   0.00001   1.91058
   A277       1.90711   0.00000  -0.00023   0.00001  -0.00022   1.90689
   A278       1.81750   0.00000  -0.00007  -0.00016  -0.00023   1.81727
   A279       1.74473   0.00001   0.00034   0.00006   0.00040   1.74513
   A280       2.18965   0.00000   0.00003  -0.00002   0.00001   2.18967
   A281       2.13058   0.00000   0.00002   0.00000   0.00001   2.13059
   A282       1.96287   0.00001  -0.00005   0.00002  -0.00003   1.96285
   A283       2.12404   0.00000   0.00001   0.00000   0.00000   2.12405
   A284       2.11471   0.00000  -0.00003  -0.00004  -0.00007   2.11464
   A285       2.04200   0.00000  -0.00001   0.00006   0.00004   2.04205
   A286       2.71510   0.00001   0.00074   0.00031   0.00106   2.71616
   A287       1.64208  -0.00001  -0.00068  -0.00029  -0.00097   1.64111
   A288       1.92681   0.00000   0.00001   0.00005   0.00006   1.92687
   A289       1.91495   0.00000  -0.00012  -0.00004  -0.00017   1.91479
   A290       1.91175   0.00000  -0.00004  -0.00001  -0.00004   1.91171
   A291       1.89030   0.00000   0.00015   0.00004   0.00018   1.89048
   A292       1.91297   0.00000   0.00001   0.00000   0.00000   1.91298
   A293       1.90683   0.00000  -0.00001  -0.00003  -0.00004   1.90679
   A294       1.35159   0.00001  -0.00014  -0.00010  -0.00024   1.35134
   A295       1.15371   0.00000   0.00024   0.00003   0.00028   1.15398
   A296       1.93391   0.00000  -0.00003   0.00003   0.00000   1.93391
   A297       1.90767   0.00000  -0.00001  -0.00001  -0.00001   1.90765
   A298       1.90132   0.00000   0.00001   0.00000   0.00001   1.90133
   A299       1.90880   0.00000   0.00001  -0.00002  -0.00002   1.90878
   A300       1.89862   0.00000  -0.00002   0.00001  -0.00001   1.89861
   A301       1.91343   0.00000   0.00004  -0.00001   0.00003   1.91346
   A302       1.61420  -0.00001   0.00021  -0.00045  -0.00024   1.61396
   A303       1.83014   0.00000  -0.00001   0.00025   0.00024   1.83038
   A304       2.18858   0.00000   0.00005   0.00002   0.00007   2.18865
   A305       2.12991   0.00000   0.00007   0.00001   0.00009   2.12999
   A306       1.96435  -0.00001  -0.00012  -0.00004  -0.00016   1.96419
   A307       2.12550   0.00000   0.00000  -0.00002  -0.00002   2.12549
   A308       2.12335   0.00000  -0.00006   0.00001  -0.00005   2.12330
   A309       2.02987   0.00000   0.00006  -0.00001   0.00005   2.02992
   A310       1.30415   0.00000  -0.00040   0.00004  -0.00036   1.30379
   A311       3.04016   0.00001   0.00020  -0.00014   0.00006   3.04022
   A312       1.91184   0.00000   0.00006  -0.00003   0.00004   1.91188
   A313       1.92800   0.00000  -0.00003   0.00004   0.00001   1.92801
   A314       1.90293   0.00000  -0.00007   0.00006  -0.00001   1.90292
   A315       1.91251   0.00000   0.00006  -0.00005   0.00002   1.91253
   A316       1.91213   0.00000  -0.00004  -0.00004  -0.00009   1.91204
   A317       1.89629   0.00001   0.00001   0.00002   0.00002   1.89631
   A318       1.79834   0.00000   0.00086   0.00005   0.00092   1.79925
   A319       1.91605   0.00000   0.00008  -0.00002   0.00006   1.91611
   A320       1.91445  -0.00002   0.00007  -0.00004   0.00003   1.91448
   A321       1.91958   0.00000  -0.00003   0.00001  -0.00002   1.91956
   A322       1.90761   0.00000  -0.00008   0.00001  -0.00007   1.90754
   A323       1.90989   0.00000  -0.00002   0.00001  -0.00001   1.90988
   A324       1.89608   0.00001  -0.00001   0.00002   0.00001   1.89609
   A325       2.93485   0.00000  -0.00003  -0.00016  -0.00018   2.93466
   A326       3.39646   0.00000  -0.00031  -0.00004  -0.00035   3.39610
   A327       3.11153   0.00000  -0.00028  -0.00005  -0.00034   3.11119
   A328       3.23223   0.00000   0.00092   0.00048   0.00141   3.23364
   A329       3.25738   0.00000   0.00034   0.00024   0.00058   3.25796
   A330       3.26039   0.00000  -0.00014  -0.00012  -0.00026   3.26012
   A331       3.70823   0.00000   0.00084   0.00007   0.00091   3.70914
   A332       3.28892   0.00000  -0.00017   0.00014  -0.00003   3.28888
   A333       2.93617   0.00000  -0.00009  -0.00012  -0.00022   2.93595
   A334       2.87975   0.00000  -0.00037  -0.00016  -0.00052   2.87923
   A335       3.23539   0.00000   0.00020  -0.00004   0.00016   3.23555
   A336       3.08063   0.00000   0.00002  -0.00012  -0.00011   3.08052
   A337       3.10410   0.00000   0.00019  -0.00002   0.00017   3.10427
   A338       3.05519   0.00000  -0.00024   0.00012  -0.00012   3.05507
    D1        2.76069   0.00000  -0.00010   0.00002  -0.00008   2.76061
    D2       -1.35725   0.00000   0.00004   0.00001   0.00005  -1.35719
    D3        2.78660   0.00000  -0.00012  -0.00005  -0.00017   2.78643
    D4       -1.33134   0.00000   0.00002  -0.00006  -0.00003  -1.33137
    D5        1.65812   0.00000  -0.00028   0.00000  -0.00028   1.65784
    D6       -2.45982   0.00000  -0.00014  -0.00001  -0.00015  -2.45996
    D7        1.82911   0.00000  -0.00054  -0.00015  -0.00069   1.82842
    D8       -2.28883   0.00000  -0.00040  -0.00015  -0.00055  -2.28938
    D9        0.23323   0.00000   0.00039  -0.00028   0.00011   0.23334
   D10        2.39848   0.00000   0.00053  -0.00029   0.00024   2.39872
   D11       -0.03421   0.00000   0.00003  -0.00022  -0.00018  -0.03439
   D12        2.13104   0.00000   0.00017  -0.00022  -0.00005   2.13099
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   D449      -1.76839   0.00000   0.00000  -0.00046  -0.00046  -1.76885
   D450       0.33966   0.00000  -0.00001  -0.00050  -0.00051   0.33915
   D451      -0.67772   0.00000  -0.00038  -0.00025  -0.00063  -0.67834
   D452       1.40553   0.00000  -0.00033  -0.00025  -0.00058   1.40495
   D453      -2.76961   0.00000  -0.00034  -0.00029  -0.00063  -2.77025
   D454       2.05016   0.00000  -0.00025  -0.00008  -0.00033   2.04983
   D455      -2.14955   0.00000  -0.00016  -0.00007  -0.00023  -2.14978
   D456      -0.05595  -0.00001  -0.00040  -0.00006  -0.00046  -0.05640
   D457      -1.12375  -0.00001   0.00009  -0.00029  -0.00020  -1.12395
   D458       0.95973   0.00000   0.00018  -0.00029  -0.00011   0.95962
   D459       3.05333  -0.00001  -0.00006  -0.00028  -0.00033   3.05300
   D460      -3.08648   0.00000   0.00004  -0.00014  -0.00009  -3.08658
   D461      -0.02196   0.00000  -0.00046   0.00005  -0.00041  -0.02237
   D462       0.06920   0.00000  -0.00004  -0.00014  -0.00018   0.06901
   D463       3.13372  -0.00001  -0.00054   0.00004  -0.00050   3.13322
   D464       1.92004  -0.00001  -0.00120  -0.00019  -0.00139   1.91865
   D465      -2.28110   0.00000  -0.00109  -0.00014  -0.00123  -2.28233
   D466      -0.18803  -0.00001  -0.00119  -0.00021  -0.00140  -0.18943
   D467      -1.14755  -0.00001  -0.00071  -0.00036  -0.00107  -1.14862
   D468       0.93450   0.00000  -0.00060  -0.00031  -0.00091   0.93359
   D469       3.02757   0.00000  -0.00071  -0.00038  -0.00109   3.02648
   D470      -1.63209   0.00000   0.00053  -0.00011   0.00042  -1.63166
   D471       0.47265   0.00000   0.00052  -0.00013   0.00039   0.47304
   D472       2.56302   0.00000   0.00057  -0.00014   0.00043   2.56345
   D473       1.43592   0.00000   0.00005   0.00006   0.00011   1.43604
   D474      -2.74253  -0.00001   0.00003   0.00005   0.00008  -2.74244
   D475      -0.65216   0.00000   0.00008   0.00003   0.00012  -0.65204
   D476       0.01499   0.00000  -0.00034   0.00006  -0.00028   0.01472
   D477      -3.02150   0.00001  -0.00038   0.00037  -0.00001  -3.02151
   D478       3.12849  -0.00001  -0.00016   0.00000  -0.00015   3.12834
   D479       0.09200   0.00000  -0.00020   0.00032   0.00012   0.09212
   D480      -0.27588   0.00000  -0.00043   0.00055   0.00012  -0.27576
   D481       1.83242   0.00000  -0.00033   0.00050   0.00018   1.83260
   D482      -2.36814   0.00000  -0.00037   0.00058   0.00021  -2.36792
   D483       2.76594   0.00000  -0.00040   0.00026  -0.00014   2.76580
   D484      -1.40894  -0.00001  -0.00029   0.00021  -0.00008  -1.40903
   D485       0.67368   0.00000  -0.00034   0.00029  -0.00005   0.67363
   D486      -0.11322   0.00000  -0.00075  -0.00022  -0.00097  -0.11419
   D487       1.98316  -0.00001  -0.00076  -0.00024  -0.00100   1.98216
   D488      -2.21565  -0.00001  -0.00075  -0.00023  -0.00098  -2.21662
   D489       3.12801   0.00000  -0.00079   0.00008  -0.00071   3.12730
   D490      -1.05879   0.00000  -0.00080   0.00006  -0.00073  -1.05953
   D491       1.02559   0.00000  -0.00079   0.00007  -0.00072   1.02487
         Item               Value     Threshold  Converged?
 Maximum Force            0.000020     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.005175     0.001800     NO 
 RMS     Displacement     0.000748     0.001200     YES
 Predicted change in Energy=-2.570660D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:50:36 2016, MaxMem=  2952790016 cpu:        11.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.786026   -0.575013    1.629933
      2          6           0       -2.038526    1.114362   -1.408043
      3          8           0       -2.557840    0.127570   -1.957701
      4          7           0       -0.752116    1.189915   -0.969656
      5          1           0       -2.612862    2.038532   -1.196264
      6          6           0       -0.261184    2.355008   -0.232949
      7          1           0       -1.032520    3.137740   -0.224232
      8          1           0       -0.018719    2.069297    0.803550
      9          1           0        0.649775    2.745689   -0.714597
     10          6           0        0.188251    0.079673   -1.139315
     11          1           0        0.729562   -0.086289   -0.194705
     12          1           0       -0.365831   -0.829310   -1.407311
     13          1           0        0.921112    0.314412   -1.928777
     14          6           0       -2.082634   -3.937092    2.697467
     15          8           0       -2.232451   -3.737703    3.914990
     16          7           0       -2.990135   -3.634909    1.729599
     17          1           0       -1.152157   -4.374023    2.283290
     18          6           0       -4.279215   -3.015511    2.049646
     19          1           0       -4.503862   -2.248911    1.291659
     20          1           0       -5.085088   -3.768339    2.040314
     21          1           0       -4.222953   -2.549675    3.041629
     22          6           0       -2.710537   -3.873902    0.313334
     23          1           0       -3.423511   -4.606270   -0.099714
     24          1           0       -2.814005   -2.930415   -0.248127
     25          1           0       -1.686118   -4.254335    0.197128
     26          6           0        1.610506    0.358248    2.572060
     27          8           0        1.464178    1.386040    3.254800
     28          7           0        1.205980   -0.891278    2.929371
     29          1           0        2.088315    0.378896    1.572729
     30          6           0        1.481057   -2.058278    2.089693
     31          1           0        2.229967   -2.709974    2.570457
     32          1           0        0.555853   -2.640198    1.947356
     33          1           0        1.854735   -1.726816    1.111008
     34          6           0        0.559000   -1.138418    4.220428
     35          1           0        1.300935   -1.441075    4.979058
     36          1           0        0.051188   -0.224064    4.552582
     37          1           0       -0.176224   -1.947031    4.102060
     38          6           0       -4.606741    0.974129    2.912852
     39          8           0       -4.863103    1.525387    1.828425
     40          7           0       -3.548702    1.269388    3.716847
     41          1           0       -5.227463    0.148089    3.313744
     42          6           0       -2.585688    2.319257    3.371240
     43          1           0       -2.692372    2.580630    2.310504
     44          1           0       -2.753256    3.215243    3.991148
     45          1           0       -1.566447    1.947214    3.558355
     46          6           0       -3.239457    0.470835    4.903401
     47          1           0       -4.033802   -0.269451    5.070834
     48          1           0       -2.278086   -0.052012    4.759630
     49          1           0       -3.156015    1.124868    5.786168
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485261   0.000000
     3  O    3.736367   1.243209   0.000000
     4  N    3.307841   1.361155   2.316344   0.000000
     5  H    3.937215   1.108513   2.057811   2.057638   0.000000
     6  C    3.792163   2.465561   3.634677   1.463282   2.560960
     7  H    4.217847   2.550984   3.793764   2.104354   2.156522
     8  H    3.286131   3.143670   4.223972   2.110792   3.275634
     9  H    4.738883   3.220102   4.323037   2.109688   3.372962
    10  C    3.463398   2.470087   2.865845   1.464824   3.418567
    11  H    3.145844   3.252086   3.736429   2.103477   4.085312
    12  H    3.362511   2.564327   2.454272   2.101911   3.649412
    13  H    4.558958   3.109750   3.484086   2.118044   3.999767
    14  C    3.539940   6.509557   6.198216   6.442381   7.151947
    15  O    3.927263   7.205194   7.038091   7.094547   7.722339
    16  N    3.289799   5.771129   5.285765   5.964364   6.394602
    17  H    3.906551   6.673376   6.342419   6.457484   7.440551
    18  C    3.513997   5.833707   5.375957   6.264361   6.233459
    19  H    3.209828   4.967683   4.471354   5.569082   5.305451
    20  H    4.609724   6.709208   6.127741   7.240086   7.092749
    21  H    3.439591   6.164128   5.910461   6.490120   6.450099
    22  C    3.670262   5.319541   4.603553   5.578864   6.102893
    23  H    4.682315   6.029556   5.158561   6.441189   6.783286
    24  H    3.183044   4.278668   3.512768   4.663595   5.062594
    25  H    3.949725   5.614594   4.960270   5.645671   6.511572
    26  C    3.646232   5.452372   6.160118   4.337904   5.904274
    27  O    4.129133   5.838222   6.703024   4.774563   6.071240
    28  N    3.277295   5.776034   6.252029   4.834038   6.339416
    29  H    3.990456   5.143611   5.840707   3.897374   5.702874
    30  C    3.617359   5.889589   6.121439   4.989733   6.658944
    31  H    4.644442   6.976678   7.174884   6.052632   7.758188
    32  H    3.138494   5.664470   5.710087   4.988939   6.466344
    33  H    3.853710   5.438326   5.685644   4.430819   6.281780
    34  C    3.539383   6.595593   7.034678   5.837563   7.035216
    35  H    4.636381   7.647046   8.091317   6.820874   8.096917
    36  H    3.469928   6.456573   7.022426   5.756714   6.727981
    37  H    3.253506   6.572787   6.833503   5.991192   7.063579
    38  C    3.464412   5.028472   5.351350   5.475269   4.689706
    39  O    3.730882   4.315310   4.647890   4.984176   3.804687
    40  N    3.296066   5.345013   5.872483   5.458070   5.060241
    41  H    3.898920   5.779124   5.908929   6.281851   5.545276
    42  C    3.471082   4.959103   5.762108   4.845698   4.576204
    43  H    3.353017   4.050315   4.924752   4.056863   3.549312
    44  H    4.569125   5.837448   6.705275   5.719798   5.321053
    45  H    3.182554   5.057827   5.892439   4.662566   4.869263
    46  C    3.731200   6.456833   6.903417   6.418470   6.328998
    47  H    4.121366   6.918953   7.192801   7.027570   6.828058
    48  H    3.211021   6.281561   6.725552   6.057697   6.321007
    49  H    4.694757   7.280492   7.830704   7.171062   7.062871
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098956   0.000000
     8  H    1.102157   1.796023   0.000000
     9  H    1.102027   1.795628   1.791413   0.000000
    10  C    2.490109   3.417519   2.788577   2.738801   0.000000
    11  H    2.634953   3.674258   2.490580   2.880409   1.101294
    12  H    3.395580   4.193047   3.662010   3.780467   1.097761
    13  H    2.904771   3.833190   3.380609   2.731111   1.102469
    14  C    7.176039   7.726080   6.627471   7.985474   6.001018
    15  O    7.629707   8.114476   6.950030   8.471994   6.780720
    16  N    6.868615   7.315633   6.498064   7.741774   5.668415
    17  H    7.239140   7.920136   6.707509   7.932501   5.774628
    18  C    7.085004   7.319429   6.749803   8.070155   6.301419
    19  H    6.443665   6.585146   6.245132   7.451917   5.774761
    20  H    8.119923   8.321382   7.827878   9.105534   7.261222
    21  H    7.104533   7.293244   6.634718   8.117487   6.622121
    22  C    6.715436   7.229650   6.542767   7.494486   5.113112
    23  H    7.647056   8.105680   7.547959   8.427399   6.006968
    24  H    5.869653   6.324300   5.823810   6.665848   4.343776
    25  H    6.774867   7.432867   6.567822   7.435589   4.907440
    26  C    3.918974   4.746621   2.951219   4.174326   3.984309
    27  O    4.010008   4.626620   2.945242   4.274109   4.758448
    28  N    4.763530   5.584719   3.844998   5.178359   4.304966
    29  H    3.561691   4.536508   2.808680   3.592070   3.324900
    30  C    5.282724   6.218595   4.576065   5.624338   4.082729
    31  H    6.302299   7.256023   5.569558   6.561467   5.070813
    32  H    5.511204   6.373640   4.880345   6.008544   4.130420
    33  H    4.790055   5.812316   4.244388   4.978761   3.332345
    34  C    5.719204   6.369730   4.722102   6.280844   5.508906
    35  H    6.634416   7.313329   5.612402   7.097232   6.401970
    36  H    5.445228   5.940884   4.395411   6.076259   5.701644
    37  H    6.107951   6.730894   5.199603   6.775255   5.631375
    38  C    5.539563   5.224707   5.167058   6.627803   6.341298
    39  O    5.110302   4.635348   4.981391   6.192570   6.034380
    40  N    5.252355   5.035277   4.646282   6.280476   6.241999
    41  H    6.489488   6.249227   6.092875   7.583995   7.011731
    42  C    4.288913   4.001208   3.639347   5.229162   5.749399
    43  H    3.525724   3.080644   3.111397   4.510923   5.143348
    44  H    4.979299   4.553720   4.353351   5.826245   6.693722
    45  H    4.030384   4.001299   3.162170   4.879275   5.351147
    46  C    6.229151   6.186726   5.453166   7.201597   6.958205
    47  H    7.017873   6.975268   6.308752   8.031075   7.517551
    48  H    5.898092   6.046887   5.025462   6.809308   6.395132
    49  H    6.791396   6.684743   5.963309   7.705261   7.761370
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795098   0.000000
    13  H    1.790045   1.798958   0.000000
    14  C    5.576897   5.427239   6.964187   0.000000
    15  O    6.244673   6.345858   7.779089   1.242805   0.000000
    16  N    5.489243   4.959694   6.654225   1.360750   2.315294
    17  H    5.297733   5.177242   6.634860   1.108259   2.057762
    18  C    6.221357   5.660795   7.345722   2.468593   2.861873
    19  H    5.854480   5.140332   6.809712   3.269342   3.775934
    20  H    7.236224   6.541819   8.276290   3.078158   3.413633
    21  H    6.408551   6.134339   7.705150   2.573779   2.477149
    22  C    5.141827   4.210440   5.979792   2.466241   3.635801
    23  H    6.138995   5.032360   6.814275   3.173322   4.276784
    24  H    4.544091   3.428106   5.225379   3.197627   4.280358
    25  H    4.833388   4.006018   5.673673   2.551384   3.793137
    26  C    2.937459   4.599087   4.553540   5.666122   5.774824
    27  O    3.821845   5.476494   5.320975   6.420765   6.352453
    28  N    3.261110   4.613160   5.013626   4.488400   4.571256
    29  H    2.277374   4.045150   3.691486   6.106521   6.411053
    30  C    3.109977   4.141304   4.700138   4.074214   4.465683
    31  H    4.096469   5.108591   5.577017   4.485585   4.772543
    32  H    3.337821   3.922067   4.887488   3.034174   3.584793
    33  H    2.379544   3.475394   3.778698   4.785922   5.348932
    34  C    4.541967   5.711594   6.328868   4.138867   3.826457
    35  H    5.378637   6.628580   7.137519   4.783753   4.346442
    36  H    4.797490   6.005045   6.561612   4.667036   4.238772
    37  H    4.769171   5.624804   6.533702   3.093157   2.733051
    38  C    6.265582   6.316765   7.377924   5.526083   5.370558
    39  O    6.161854   6.019970   7.002869   6.190712   6.242932
    40  N    5.953288   6.386878   7.263904   5.504173   5.180998
    41  H    6.917390   6.846834   8.081873   5.192153   4.942770
    42  C    5.430792   6.138061   6.663876   6.312601   6.091569
    43  H    5.009807   5.555415   6.013695   6.557608   6.535078
    44  H    6.368006   7.155527   7.547272   7.299262   6.972840
    45  H    4.846881   5.814500   6.242004   5.969307   5.734896
    46  C    6.484920   7.055012   8.000842   5.063023   4.438785
    47  H    7.102751   7.465509   8.595733   4.784508   4.075489
    48  H    5.795909   6.503237   7.423203   4.402790   3.781510
    49  H    7.234324   7.959277   8.763572   6.026248   5.291397
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056946   0.000000
    18  C    1.465541   3.417402   0.000000
    19  H    2.098607   4.090643   1.101220   0.000000
    20  H    2.122068   3.986707   1.102846   1.790801   0.000000
    21  H    2.102140   3.651453   1.097360   1.797710   1.797512
    22  C    1.463250   2.561131   2.492462   2.610313   2.938043
    23  H    2.116068   3.300257   2.807578   2.942825   2.835963
    24  H    2.106830   3.354670   2.726507   2.385583   3.331200
    25  H    2.105379   2.156736   3.419161   3.627590   3.896989
    26  C    6.149873   5.487265   6.807640   6.769209   7.883048
    27  O    6.883100   6.400575   7.335707   7.258394   8.422320
    28  N    5.155031   4.255319   5.947574   6.093239   6.974628
    29  H    6.475021   5.796188   7.231520   7.102195   8.299151
    30  C    4.754681   3.511975   5.839403   6.040899   6.785352
    31  H    5.367682   3.780249   6.537128   6.869669   7.410210
    32  H    3.689295   2.456888   4.850691   5.117007   5.753395
    33  H    5.243686   4.174129   6.337753   6.382553   7.293324
    34  C    5.003304   4.141220   5.625308   5.953440   6.597356
    35  H    5.812501   4.678355   6.496027   6.924245   7.404975
    36  H    5.371475   4.880562   5.727936   5.956686   6.727162
    37  H    4.049147   3.186010   4.710476   5.168939   5.627157
    38  C    5.025607   6.397907   4.095073   3.609271   4.845734
    39  O    5.490576   6.984343   4.583624   3.829163   5.302613
    40  N    5.321022   6.296554   4.655487   4.378617   5.527200
    41  H    4.671854   6.174095   3.536309   3.218390   4.120716
    42  C    6.189560   6.930991   5.751034   5.373286   6.713955
    43  H    6.249723   7.123215   5.822620   5.257757   6.790251
    44  H    7.217706   7.942118   6.702258   6.341043   7.616666
    45  H    6.044115   6.461846   5.853541   5.601230   6.881339
    46  C    5.195412   5.890199   4.623810   4.694722   5.438218
    47  H    4.855861   5.737751   4.090066   4.292013   4.746732
    48  H    4.746077   5.106834   4.486742   4.669825   5.393053
    49  H    6.256096   6.820807   5.689104   5.779246   6.457261
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.388890   0.000000
    23  H    3.838844   1.102408   0.000000
    24  H    3.598971   1.102774   1.789417   0.000000
    25  H    4.175234   1.098939   1.797362   1.795312   0.000000
    26  C    6.534963   6.456341   7.558184   6.192338   6.146865
    27  O    6.919447   7.331265   8.429119   7.014637   7.147556
    28  N    5.677692   5.574836   6.663986   5.514966   5.209562
    29  H    7.110999   6.534627   7.617689   6.188683   6.132329
    30  C    5.803739   4.901163   5.944792   4.967251   4.293654
    31  H    6.472083   5.554989   6.533572   5.782271   4.832542
    32  H    4.903326   3.855043   4.887870   4.032408   3.270347
    33  H    6.429828   5.107639   6.133269   5.009295   4.445354
    34  C    5.123308   5.782571   6.822758   5.878469   5.562054
    35  H    5.957849   6.616610   7.624485   6.817208   6.301093
    36  H    5.095069   6.238563   7.274691   6.211318   6.183147
    37  H    4.226548   4.948739   5.938967   5.181607   4.780369
    38  C    3.546981   5.818633   6.451081   5.333963   6.575867
    39  O    4.299743   6.006776   6.586908   5.325884   6.794082
    40  N    3.936468   6.224135   7.007508   5.822297   6.809490
    41  H    2.891543   5.613715   6.124530   5.290453   6.452578
    42  C    5.147406   6.908082   7.791816   6.380518   7.355021
    43  H    5.403449   6.756479   7.615461   6.077254   7.224656
    44  H    6.024606   7.986496   8.852144   7.466207   8.445588
    45  H    5.248432   6.761989   7.731644   6.311654   7.054884
    46  C    3.681975   6.342335   7.130360   6.187710   6.847562
    47  H    3.058246   6.113665   6.776062   6.071242   6.718923
    48  H    3.601716   5.879065   6.757699   5.800866   6.231081
    49  H    4.708834   7.425501   8.219556   7.278393   7.895175
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242539   0.000000
    28  N    1.361112   2.314897   0.000000
    29  H    1.107877   2.057486   2.057265   0.000000
    30  C    2.467596   3.636081   1.463768   2.564339   0.000000
    31  H    3.130130   4.222806   2.117787   3.249099   1.103044
    32  H    3.239324   4.329556   2.108492   3.406423   1.102222
    33  H    2.557697   3.799770   2.103676   2.168356   1.098784
    34  C    2.462273   2.850381   1.465090   3.413409   2.497272
    35  H    3.021097   3.315463   2.124266   3.941489   2.960036
    36  H    2.587088   2.504639   2.100841   3.659642   3.387432
    37  H    3.293571   3.810267   2.097689   4.115288   2.609325
    38  C    6.256964   6.094477   6.104730   6.853759   6.850866
    39  O    6.619880   6.487560   6.624660   7.049967   7.291041
    40  N    5.362662   5.035480   5.281628   6.096408   6.246557
    41  H    6.881284   6.805443   6.528186   7.523631   7.167328
    42  C    4.700244   4.157627   4.987939   5.370843   6.110941
    43  H    4.849964   4.426696   5.256832   5.314783   6.243856
    44  H    5.405427   4.655635   5.802278   6.110190   7.025309
    45  H    3.686546   3.097055   4.017338   4.445180   5.242921
    46  C    5.382376   5.067511   5.051144   6.283868   6.049514
    47  H    6.204521   6.022160   5.694545   7.080778   6.519262
    48  H    4.480505   4.282178   4.024044   5.422867   5.028402
    49  H    5.799820   5.274677   5.590450   6.768497   6.730438
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787675   0.000000
    33  H    1.799275   1.794670   0.000000
    34  C    2.825654   2.724373   3.419596   0.000000
    35  H    2.876554   3.344287   3.917927   1.103443   0.000000
    36  H    3.854302   3.588815   4.165991   1.097380   1.795791
    37  H    2.952565   2.378900   3.622110   1.099282   1.790842
    38  C    7.773700   6.375571   7.231350   5.732145   6.708431
    39  O    8.294608   6.836031   7.498057   6.497440   7.531384
    40  N    7.109328   5.938294   6.705578   4.787937   5.697259
    41  H    8.020863   6.564168   7.650153   5.996693   6.922332
    42  C    7.008919   6.040937   6.418467   4.750337   5.641898
    43  H    7.231008   6.159536   6.377230   5.296276   6.264326
    44  H    7.871408   7.029471   7.345252   5.475214   6.252497
    45  H    6.089179   5.305075   5.585024   3.804864   4.660555
    46  C    6.743498   5.728971   6.720321   4.181438   4.927097
    47  H    7.172366   6.036678   7.244239   4.751013   5.462650
    48  H    5.672722   4.758025   5.761738   3.085462   3.845392
    49  H    7.352252   6.533771   7.422725   4.623348   5.205756
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795356   0.000000
    38  C    5.081405   5.438462   0.000000
    39  O    5.884884   6.260506   1.243218   0.000000
    40  N    3.985983   4.676254   1.361261   2.315021   0.000000
    41  H    5.434829   5.525032   1.108311   2.058126   2.058650
    42  C    3.849307   4.953870   2.470656   2.863062   1.465969
    43  H    4.518887   5.480911   2.570696   2.461303   2.104866
    44  H    4.473136   5.770829   3.101728   3.461855   2.119983
    45  H    2.884385   4.170549   3.256832   3.746804   2.100929
    46  C    3.381465   3.983920   2.466790   3.633701   1.463294
    47  H    4.117983   4.316677   2.555706   3.797683   2.106330
    48  H    2.344779   2.905395   3.144230   4.214554   2.109019
    49  H    3.691545   4.599124   3.222308   4.328775   2.111202
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419978   0.000000
    43  H    3.653825   1.097660   0.000000
    44  H    3.998501   1.102340   1.797499   0.000000
    45  H    4.086529   1.101036   1.796122   1.789894   0.000000
    46  C    2.565802   2.488292   3.387278   2.932639   2.605342
    47  H    2.164839   3.418635   4.188296   3.866344   3.645413
    48  H    3.290813   2.764989   3.619483   3.389883   2.438524
    49  H    3.370144   2.753854   3.796636   2.784596   2.857644
                   46         47         48         49
    46  C    0.000000
    47  H    1.098654   0.000000
    48  H    1.103754   1.796292   0.000000
    49  H    1.101816   1.796201   1.791532   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2165365      0.1954124      0.1843307
 Leave Link  202 at Mon Nov 14 05:50:36 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.4234449839 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1853949463 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.2380500376 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4052
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.73D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     236
 GePol: Fraction of low-weight points (<1% of avg)   =       5.82%
 GePol: Cavity surface area                          =    468.281 Ang**2
 GePol: Cavity volume                                =    458.521 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040321327 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.2340179049 Hartrees.
 Leave Link  301 at Mon Nov 14 05:50:36 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11989 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:50:37 2016, MaxMem=  2952790016 cpu:        13.3
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:50:38 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000035    0.000268   -0.000034
         Rot=    1.000000   -0.000009    0.000006   -0.000024 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:50:38 2016, MaxMem=  2952790016 cpu:         7.0
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49256112.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.07D-14 for   3945.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.44D-15 for   3738   2499.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.99D-15 for   3945.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.60D-10 for   1813   1794.
 Iteration    2 A*A^-1 deviation from unit magnitude is 1.03D-14 for   1894.
 Iteration    2 A*A^-1 deviation from orthogonality  is 1.65D-14 for   2242    133.
 Iteration    2 A^-1*A deviation from unit magnitude is 2.00D-15 for   3237.
 Iteration    2 A^-1*A deviation from orthogonality  is 9.72D-16 for   2067    918.
 E= -1013.45147470451    
 DIIS: error= 4.67D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45147470451     IErMin= 1 ErrMin= 4.67D-05
 ErrMax= 4.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-06 BMatP= 2.32D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=7.96D-06 MaxDP=1.87D-04              OVMax= 2.80D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.96D-06    CP:  1.00D+00
 E= -1013.45147823731     Delta-E=       -0.000003532808 Rises=F Damp=F
 DIIS: error= 1.10D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147823731     IErMin= 2 ErrMin= 1.10D-05
 ErrMax= 1.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.78D-08 BMatP= 2.32D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.369D-01 0.963D+00
 Coeff:      0.369D-01 0.963D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.36D-06 MaxDP=1.48D-04 DE=-3.53D-06 OVMax= 1.91D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.32D-06    CP:  1.00D+00  9.52D-01
 E= -1013.45147795602     Delta-E=        0.000000281299 Rises=F Damp=F
 DIIS: error= 3.04D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147823731     IErMin= 2 ErrMin= 1.10D-05
 ErrMax= 3.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-07 BMatP= 6.78D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.320D-02 0.717D+00 0.280D+00
 Coeff:      0.320D-02 0.717D+00 0.280D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.72D-06 MaxDP=1.19D-04 DE= 2.81D-07 OVMax= 1.61D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.70D-07    CP:  1.00D+00  9.71D-01  3.05D-01
 E= -1013.45147828924     Delta-E=       -0.000000333223 Rises=F Damp=F
 DIIS: error= 3.92D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147828924     IErMin= 4 ErrMin= 3.92D-06
 ErrMax= 3.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.80D-09 BMatP= 6.78D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.146D-04 0.305D+00 0.158D+00 0.537D+00
 Coeff:     -0.146D-04 0.305D+00 0.158D+00 0.537D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.87D-07 MaxDP=1.51D-05 DE=-3.33D-07 OVMax= 2.38D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.76D-07    CP:  1.00D+00  9.74D-01  3.26D-01  6.14D-01
 E= -1013.45147829424     Delta-E=       -0.000000005005 Rises=F Damp=F
 DIIS: error= 2.20D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147829424     IErMin= 5 ErrMin= 2.20D-06
 ErrMax= 2.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-09 BMatP= 6.80D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.918D-05 0.142D+00 0.815D-01 0.365D+00 0.411D+00
 Coeff:     -0.918D-05 0.142D+00 0.815D-01 0.365D+00 0.411D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.91D-08 MaxDP=5.00D-06 DE=-5.00D-09 OVMax= 5.98D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.13D-08    CP:  1.00D+00  9.75D-01  3.22D-01  6.25D-01  5.95D-01
 E= -1013.45147829536     Delta-E=       -0.000000001112 Rises=F Damp=F
 DIIS: error= 1.32D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147829536     IErMin= 6 ErrMin= 1.32D-07
 ErrMax= 1.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-11 BMatP= 1.32D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.170D-04 0.522D-01 0.308D-01 0.145D+00 0.186D+00 0.586D+00
 Coeff:     -0.170D-04 0.522D-01 0.308D-01 0.145D+00 0.186D+00 0.586D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.53D-08 MaxDP=7.05D-07 DE=-1.11D-09 OVMax= 9.73D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.31D-08    CP:  1.00D+00  9.75D-01  3.24D-01  6.29D-01  5.81D-01
                    CP:  8.75D-01
 E= -1013.45147829538     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 5.51D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45147829538     IErMin= 7 ErrMin= 5.51D-08
 ErrMax= 5.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-12 BMatP= 1.54D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-04 0.976D-02 0.612D-02 0.308D-01 0.461D-01 0.313D+00
 Coeff-Com:  0.594D+00
 Coeff:     -0.156D-04 0.976D-02 0.612D-02 0.308D-01 0.461D-01 0.313D+00
 Coeff:      0.594D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.77D-09 MaxDP=2.12D-07 DE=-2.96D-11 OVMax= 3.05D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45147830     A.U. after    7 cycles
            NFock=  7  Conv=0.48D-08     -V/T= 2.0213
 KE= 9.923522098193D+02 PE=-6.033989926259D+03 EE= 2.176952220239D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:52:12 2016, MaxMem=  2952790016 cpu:      1060.8
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11989 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     369
 Leave Link  701 at Mon Nov 14 05:52:20 2016, MaxMem=  2952790016 cpu:        98.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:52:20 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:52:57 2016, MaxMem=  2952790016 cpu:       442.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21652746D+00-2.49123669D+00 3.31564783D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000021181   -0.000088168    0.000014338
      2        6          -0.000020075    0.000017726   -0.000003828
      3        8          -0.000000298    0.000041764    0.000007065
      4        7           0.000005643   -0.000004206    0.000008503
      5        1           0.000008776    0.000026771    0.000032075
      6        6           0.000025075    0.000015347    0.000019728
      7        1           0.000004599    0.000010878    0.000028882
      8        1          -0.000001387    0.000004128    0.000006973
      9        1           0.000003454    0.000017432    0.000024121
     10        6           0.000005060    0.000012914    0.000011465
     11        1          -0.000007027    0.000024295   -0.000014624
     12        1           0.000002330    0.000025272   -0.000011630
     13        1           0.000000803    0.000021792    0.000004509
     14        6          -0.000020461    0.000004574   -0.000014194
     15        8          -0.000011378   -0.000012787   -0.000029929
     16        7           0.000000625   -0.000006566   -0.000041325
     17        1          -0.000012935   -0.000008791   -0.000033437
     18        6          -0.000035241    0.000033637   -0.000019879
     19        1          -0.000007526    0.000025836   -0.000016023
     20        1          -0.000008579    0.000009465   -0.000025455
     21        1           0.000002748    0.000000379   -0.000017661
     22        6          -0.000012602    0.000053863   -0.000089470
     23        1          -0.000013660    0.000010689   -0.000011656
     24        1          -0.000020247    0.000012236   -0.000007672
     25        1          -0.000010284    0.000018444   -0.000024612
     26        6          -0.000001232   -0.000019570    0.000012484
     27        8           0.000012593   -0.000011139    0.000009188
     28        7          -0.000009827   -0.000012222    0.000013144
     29        1           0.000000992   -0.000000842    0.000007686
     30        6           0.000006672    0.000018302    0.000009366
     31        1          -0.000001730   -0.000014345   -0.000021583
     32        1          -0.000012440   -0.000007032   -0.000008297
     33        1          -0.000002409   -0.000003177   -0.000011434
     34        6          -0.000007317   -0.000003753   -0.000012060
     35        1          -0.000001038   -0.000033207   -0.000006030
     36        1           0.000011268   -0.000028670    0.000009321
     37        1          -0.000008623   -0.000021738   -0.000010468
     38        6           0.000006589    0.000014346    0.000008214
     39        8           0.000023051    0.000006658    0.000023521
     40        7           0.000008599    0.000011417   -0.000004431
     41        1          -0.000002051   -0.000002668    0.000001680
     42        6           0.000027805   -0.000023100    0.000031279
     43        1           0.000008196    0.000004464    0.000024687
     44        1          -0.000006603   -0.000008671    0.000027874
     45        1           0.000016498   -0.000023254    0.000037081
     46        6           0.000024459   -0.000047030    0.000059007
     47        1           0.000002711   -0.000012156   -0.000001136
     48        1          -0.000000658   -0.000022915   -0.000004051
     49        1           0.000005899   -0.000026621    0.000008696
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000089470 RMS     0.000020717
 Leave Link  716 at Mon Nov 14 05:52:57 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000022933 RMS     0.000003498
 Search for a local minimum.
 Step number 131 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .34981D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  112  113  114  115  116
                                                    117  118  119  120  121
                                                    122  123  124  125  126
                                                    127  128  129  130  131
 DE= -4.75D-07 DEPred=-2.57D-07 R= 1.85D+00
 Trust test= 1.85D+00 RLast= 2.97D-02 DXMaxT set to 2.83D-01
 ITU=  0  0  0  1  1  1  1  1  1  1  1 -1  1 -1  0 -1  1  1  1  0
 ITU= -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1 -1
 ITU=  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0  0
 ITU=  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00002   0.00020   0.00069   0.00081   0.00089
     Eigenvalues ---    0.00104   0.00124   0.00144   0.00173   0.00201
     Eigenvalues ---    0.00222   0.00243   0.00328   0.00352   0.00434
     Eigenvalues ---    0.00470   0.00531   0.00617   0.00693   0.00725
     Eigenvalues ---    0.00817   0.00869   0.00918   0.00930   0.01038
     Eigenvalues ---    0.01061   0.01181   0.01232   0.01328   0.01419
     Eigenvalues ---    0.01446   0.01481   0.01602   0.01695   0.01761
     Eigenvalues ---    0.01783   0.01817   0.01893   0.01927   0.02031
     Eigenvalues ---    0.02064   0.02147   0.02260   0.02345   0.02360
     Eigenvalues ---    0.02505   0.02535   0.02659   0.03048   0.03129
     Eigenvalues ---    0.03220   0.03556   0.04030   0.04484   0.04933
     Eigenvalues ---    0.05361   0.05767   0.05922   0.06140   0.06288
     Eigenvalues ---    0.06492   0.06592   0.06742   0.07011   0.07085
     Eigenvalues ---    0.07310   0.07485   0.07729   0.07823   0.08044
     Eigenvalues ---    0.08308   0.08490   0.08588   0.08833   0.09038
     Eigenvalues ---    0.09165   0.09363   0.09473   0.09595   0.09780
     Eigenvalues ---    0.09862   0.10129   0.10439   0.10602   0.10754
     Eigenvalues ---    0.10936   0.11100   0.11204   0.11414   0.12935
     Eigenvalues ---    0.13083   0.14021   0.14339   0.14677   0.15179
     Eigenvalues ---    0.15230   0.15492   0.20965   0.22223   0.22914
     Eigenvalues ---    0.23390   0.24629   0.24925   0.25474   0.25871
     Eigenvalues ---    0.27016   0.27536   0.28232   0.28803   0.29396
     Eigenvalues ---    0.29746   0.30776   0.32789   0.32810   0.32860
     Eigenvalues ---    0.32953   0.33251   0.33303   0.33365   0.33374
     Eigenvalues ---    0.33391   0.33426   0.33460   0.33512   0.33740
     Eigenvalues ---    0.33814   0.33823   0.33837   0.33957   0.33979
     Eigenvalues ---    0.34084   0.34254   0.34303   0.35891   0.37265
     Eigenvalues ---    0.39646   0.40854   0.86168   0.86347   0.86932
     Eigenvalues ---    0.90080
 Eigenvalue     1 is   1.99D-05 Eigenvector:
                         D399      D397      D407      D395      D405
   1                   -0.22889  -0.22669  -0.22487  -0.22269  -0.22242
                         D401      D403      D393      D379      D381
   1                   -0.22135  -0.22109  -0.22082  -0.22071  -0.21979
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   131  130  129  128  127
 RFO step:  Lambda=-4.84159476D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  1.03D-06 SmlDif=  1.00D-05
 RMS Error=  0.2228159368D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.88601   -0.57316   -1.07602    1.09096   -0.32780
 Iteration  1 RMS(Cart)=  0.00073436 RMS(Int)=  0.00000102
 Iteration  2 RMS(Cart)=  0.00000052 RMS(Int)=  0.00000054
 ITry= 1 IFail=0 DXMaxC= 4.61D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58619   0.00000   0.00066  -0.00023   0.00043   6.58662
    R2        6.25091   0.00000  -0.00007   0.00017   0.00010   6.25101
    R3        7.16615   0.00000  -0.00126  -0.00077  -0.00203   7.16412
    R4        6.20989   0.00000  -0.00175  -0.00151  -0.00327   6.20662
    R5        6.54487   0.00001   0.00105   0.00056   0.00161   6.54648
    R6        5.94478   0.00001  -0.00090  -0.00001  -0.00091   5.94387
    R7        6.68952  -0.00001  -0.00001  -0.00013  -0.00014   6.68938
    R8        6.21682  -0.00001  -0.00005   0.00010   0.00005   6.21687
    R9        6.64049  -0.00001   0.00014   0.00002   0.00016   6.64065
   R10        6.06570   0.00000  -0.00051   0.00006  -0.00044   6.06525
   R11        6.93579   0.00000  -0.00023   0.00020  -0.00003   6.93576
   R12        6.01508   0.00000   0.00001   0.00025   0.00026   6.01534
   R13        6.89038   0.00000   0.00011   0.00000   0.00012   6.89050
   R14        6.19319   0.00000  -0.00031  -0.00009  -0.00039   6.19280
   R15        6.83582   0.00000  -0.00006  -0.00018  -0.00024   6.83558
   R16        5.93089   0.00000   0.00085   0.00017   0.00102   5.93191
   R17        6.68847   0.00000  -0.00035   0.00002  -0.00033   6.68813
   R18        6.54679  -0.00001   0.00048   0.00017   0.00065   6.54743
   R19        6.22866   0.00000   0.00093  -0.00005   0.00088   6.22954
   R20        6.55939   0.00000   0.00008   0.00030   0.00037   6.55977
   R21        6.01416   0.00000   0.00006   0.00047   0.00053   6.01469
   R22        7.05095   0.00001   0.00149   0.00021   0.00169   7.05264
   R23        6.06795   0.00000   0.00097   0.00047   0.00144   6.06939
   R24        2.34932  -0.00001  -0.00003   0.00000  -0.00002   2.34930
   R25        2.57221   0.00001   0.00000   0.00001   0.00002   2.57223
   R26        2.09479   0.00000   0.00001   0.00000   0.00001   2.09479
   R27        2.76520   0.00001  -0.00003   0.00002  -0.00001   2.76520
   R28        2.76812  -0.00001  -0.00003  -0.00002  -0.00004   2.76807
   R29        2.07673   0.00000  -0.00001   0.00001   0.00000   2.07672
   R30        2.08278  -0.00001  -0.00003   0.00002   0.00000   2.08278
   R31        2.08253   0.00000   0.00001  -0.00001   0.00000   2.08253
   R32        2.08114  -0.00001  -0.00001   0.00001   0.00000   2.08114
   R33        2.07447   0.00000  -0.00001   0.00000  -0.00001   2.07445
   R34        2.08336   0.00000   0.00000   0.00000   0.00000   2.08337
   R35        2.34856   0.00000   0.00000   0.00001   0.00001   2.34857
   R36        2.57144   0.00001   0.00005   0.00001   0.00006   2.57151
   R37        2.09431   0.00000  -0.00001   0.00000  -0.00001   2.09430
   R38        2.76947   0.00001   0.00000   0.00007   0.00007   2.76954
   R39        2.76514   0.00001  -0.00001   0.00003   0.00002   2.76516
   R40        2.08100   0.00000   0.00000   0.00003   0.00003   2.08103
   R41        2.08408   0.00000   0.00000   0.00000   0.00000   2.08408
   R42        2.07371   0.00000  -0.00002   0.00000  -0.00003   2.07368
   R43        2.08325   0.00000   0.00000   0.00000   0.00000   2.08325
   R44        2.08394  -0.00002   0.00006  -0.00002   0.00004   2.08398
   R45        2.07669   0.00000   0.00001   0.00000   0.00001   2.07670
   R46        2.34806   0.00000   0.00000  -0.00001   0.00000   2.34805
   R47        2.57213   0.00000  -0.00001   0.00000  -0.00001   2.57212
   R48        2.09359   0.00000   0.00000   0.00000   0.00000   2.09359
   R49        2.76612  -0.00001   0.00007  -0.00001   0.00006   2.76618
   R50        2.76862  -0.00001  -0.00001   0.00000  -0.00002   2.76860
   R51        2.08445   0.00000   0.00000   0.00000   0.00000   2.08446
   R52        2.08290   0.00001  -0.00002   0.00003   0.00001   2.08291
   R53        2.07640   0.00000   0.00000   0.00001   0.00001   2.07641
   R54        2.08521   0.00000   0.00001   0.00000   0.00001   2.08522
   R55        2.07375   0.00000  -0.00001   0.00000  -0.00001   2.07374
   R56        2.07734   0.00000  -0.00001   0.00000  -0.00001   2.07734
   R57        2.34934  -0.00001  -0.00003   0.00000  -0.00003   2.34931
   R58        2.57241   0.00000   0.00001   0.00002   0.00004   2.57245
   R59        2.09440   0.00000   0.00000   0.00001   0.00001   2.09441
   R60        2.77028  -0.00001  -0.00004   0.00003   0.00000   2.77028
   R61        2.76523   0.00002   0.00000   0.00002   0.00002   2.76525
   R62        2.07428   0.00000   0.00001  -0.00001   0.00000   2.07428
   R63        2.08312   0.00000   0.00000   0.00001   0.00000   2.08312
   R64        2.08066   0.00000  -0.00006   0.00002  -0.00003   2.08063
   R65        2.07615   0.00000   0.00002  -0.00001   0.00001   2.07616
   R66        2.08579  -0.00001   0.00002  -0.00002   0.00000   2.08580
   R67        2.08213   0.00000  -0.00001   0.00000  -0.00001   2.08212
    A1        0.68631   0.00000   0.00005   0.00006   0.00011   0.68642
    A2        0.96394   0.00000   0.00007   0.00006   0.00013   0.96407
    A3        0.72682   0.00000  -0.00010  -0.00001  -0.00011   0.72672
    A4        1.02049   0.00000  -0.00007  -0.00001  -0.00007   1.02041
    A5        2.37052   0.00000  -0.00097  -0.00019  -0.00116   2.36935
    A6        2.03839  -0.00001  -0.00081  -0.00026  -0.00107   2.03732
    A7        1.97072  -0.00001  -0.00035  -0.00031  -0.00066   1.97006
    A8        1.67053  -0.00001  -0.00017  -0.00032  -0.00049   1.67004
    A9        1.67573  -0.00001  -0.00095  -0.00021  -0.00116   1.67457
   A10        1.39081   0.00000  -0.00094  -0.00021  -0.00115   1.38967
   A11        1.74025   0.00000   0.00017   0.00013   0.00029   1.74054
   A12        2.04714   0.00000   0.00008   0.00012   0.00020   2.04734
   A13        1.95517   0.00000  -0.00008   0.00008   0.00000   1.95517
   A14        2.05011   0.00000   0.00004   0.00016   0.00019   2.05030
   A15        2.43895   0.00000   0.00016   0.00013   0.00029   2.43923
   A16        1.61787   0.00000   0.00120  -0.00016   0.00104   1.61891
   A17        1.81514   0.00000   0.00112  -0.00004   0.00108   1.81622
   A18        1.58722   0.00000   0.00095   0.00008   0.00103   1.58825
   A19        1.72038   0.00001   0.00078   0.00018   0.00096   1.72133
   A20        2.21510   0.00000   0.00102  -0.00005   0.00097   2.21607
   A21        2.43340   0.00000   0.00103   0.00002   0.00105   2.43444
   A22        0.65166   0.00000   0.00012   0.00007   0.00018   0.65184
   A23        0.66217   0.00000   0.00006  -0.00001   0.00005   0.66222
   A24        2.44954   0.00000  -0.00078   0.00000  -0.00078   2.44876
   A25        2.25814  -0.00001  -0.00069  -0.00014  -0.00082   2.25731
   A26        2.32704  -0.00001  -0.00034  -0.00025  -0.00059   2.32644
   A27        2.04888  -0.00001  -0.00011  -0.00029  -0.00040   2.04848
   A28        1.85083  -0.00001  -0.00071  -0.00012  -0.00083   1.85000
   A29        1.60288   0.00000  -0.00066  -0.00014  -0.00080   1.60208
   A30        1.34420   0.00000   0.00017   0.00011   0.00027   1.34447
   A31        1.64861   0.00000   0.00013   0.00012   0.00025   1.64886
   A32        1.60717   0.00000   0.00007   0.00010   0.00018   1.60735
   A33        1.76945   0.00000   0.00024   0.00019   0.00043   1.76988
   A34        2.04097   0.00000   0.00016   0.00011   0.00027   2.04124
   A35        1.88276   0.00000   0.00107  -0.00025   0.00082   1.88358
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   A268       1.91470   0.00000  -0.00007   0.00001  -0.00006   1.91464
   A269       1.91229   0.00000  -0.00001   0.00001   0.00000   1.91229
   A270       2.67795   0.00000   0.00031   0.00001   0.00032   2.67827
   A271       1.68532   0.00000  -0.00036   0.00000  -0.00036   1.68496
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   A273       1.91253  -0.00001   0.00007  -0.00003   0.00004   1.91257
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   A276       1.91058   0.00000   0.00002   0.00001   0.00002   1.91060
   A277       1.90689   0.00000  -0.00016   0.00003  -0.00012   1.90677
   A278       1.81727   0.00000  -0.00007   0.00010   0.00003   1.81730
   A279       1.74513   0.00000   0.00025  -0.00004   0.00021   1.74534
   A280       2.18967   0.00000   0.00004  -0.00001   0.00003   2.18969
   A281       2.13059   0.00000  -0.00002   0.00001  -0.00001   2.13057
   A282       1.96285   0.00000  -0.00002   0.00000  -0.00002   1.96283
   A283       2.12405  -0.00001   0.00000  -0.00005  -0.00005   2.12400
   A284       2.11464   0.00000  -0.00004   0.00001  -0.00003   2.11461
   A285       2.04205   0.00000   0.00003   0.00003   0.00006   2.04211
   A286       2.71616   0.00000   0.00081   0.00036   0.00117   2.71733
   A287       1.64111   0.00000  -0.00074  -0.00035  -0.00109   1.64002
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   A293       1.90679   0.00000  -0.00001  -0.00001  -0.00002   1.90677
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   A296       1.93391   0.00000   0.00000   0.00003   0.00002   1.93394
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   A299       1.90878  -0.00001  -0.00003  -0.00001  -0.00005   1.90873
   A300       1.89861   0.00000  -0.00001  -0.00001  -0.00002   1.89860
   A301       1.91346   0.00000   0.00003   0.00002   0.00005   1.91351
   A302       1.61396  -0.00001  -0.00037   0.00013  -0.00024   1.61372
   A303       1.83038   0.00000   0.00034  -0.00009   0.00026   1.83063
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   A309       2.02992   0.00000   0.00004   0.00000   0.00005   2.02997
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   A313       1.92801   0.00000   0.00008  -0.00015  -0.00007   1.92794
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   A315       1.91253  -0.00001  -0.00005   0.00007   0.00002   1.91255
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   A319       1.91611   0.00000   0.00002  -0.00001   0.00001   1.91612
   A320       1.91448  -0.00001   0.00002   0.00000   0.00002   1.91450
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   A322       1.90754   0.00000  -0.00007   0.00001  -0.00006   1.90748
   A323       1.90988   0.00000   0.00002   0.00001   0.00003   1.90991
   A324       1.89609   0.00001   0.00002   0.00001   0.00003   1.89612
   A325       2.93466  -0.00001  -0.00028  -0.00025  -0.00053   2.93413
   A326       3.39610   0.00000  -0.00017  -0.00004  -0.00020   3.39590
   A327       3.11119   0.00000  -0.00016  -0.00004  -0.00019   3.11100
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   A330       3.26012   0.00000  -0.00026   0.00009  -0.00017   3.25995
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   A332       3.28888   0.00000   0.00025   0.00027   0.00052   3.28941
   A333       2.93595   0.00000  -0.00028   0.00009  -0.00019   2.93576
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   D13       -0.50245   0.00000  -0.00029  -0.00026  -0.00055  -0.50301
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   D22       -1.75490   0.00000  -0.00065  -0.00021  -0.00086  -1.75576
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   D25        1.67503   0.00000  -0.00081  -0.00022  -0.00103   1.67400
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   D27        1.36626   0.00000  -0.00082  -0.00025  -0.00107   1.36519
   D28       -2.75155   0.00000  -0.00075  -0.00027  -0.00102  -2.75257
   D29        2.34245   0.00000  -0.00100  -0.00018  -0.00118   2.34127
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   D31       -1.74912   0.00000  -0.00031  -0.00041  -0.00071  -1.74983
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   D34        0.06106   0.00000  -0.00030  -0.00036  -0.00066   0.06040
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   D36       -0.31197   0.00000  -0.00022  -0.00043  -0.00064  -0.31261
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   D38       -0.60536   0.00000  -0.00030  -0.00038  -0.00068  -0.60604
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   D42       -0.21950   0.00000  -0.00049  -0.00009  -0.00057  -0.22008
   D43        1.26362   0.00000   0.00010   0.00003   0.00013   1.26376
   D44       -1.97474   0.00000  -0.00067  -0.00054  -0.00122  -1.97596
   D45        2.44749   0.00000  -0.00016  -0.00005  -0.00021   2.44728
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   D47        2.92427   0.00000  -0.00048  -0.00016  -0.00064   2.92363
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   D49        2.86902   0.00000  -0.00210  -0.00061  -0.00271   2.86631
   D50       -0.36935   0.00000  -0.00287  -0.00119  -0.00406  -0.37341
   D51        1.95838   0.00000  -0.00116  -0.00070  -0.00185   1.95653
   D52       -1.27998   0.00000  -0.00193  -0.00127  -0.00320  -1.28319
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   D363      -2.29230   0.00000   0.00035  -0.00005   0.00029  -2.29200
   D364       2.75687   0.00000   0.00014  -0.00004   0.00010   2.75698
   D365      -1.36007   0.00000   0.00019  -0.00007   0.00012  -1.35995
   D366       2.76444   0.00000   0.00049  -0.00008   0.00041   2.76486
   D367      -1.35250   0.00000   0.00053  -0.00010   0.00043  -1.35207
   D368       0.09068   0.00000   0.00061  -0.00034   0.00027   0.09095
   D369      -2.31926   0.00000   0.00492  -0.00274   0.00218  -2.31708
   D370       0.49085   0.00000   0.00059  -0.00033   0.00026   0.49111
   D371      -1.91909   0.00000   0.00490  -0.00273   0.00217  -1.91692
   D372       0.70405   0.00000   0.00041  -0.00041   0.00000   0.70405
   D373      -1.70589   0.00000   0.00473  -0.00281   0.00191  -1.70398
   D374       0.97166   0.00000   0.00027  -0.00044  -0.00017   0.97149
   D375      -1.43828   0.00000   0.00459  -0.00284   0.00174  -1.43654
   D376       0.73498   0.00000   0.00078  -0.00021   0.00058   0.73555
   D377      -1.67496   0.00000   0.00509  -0.00261   0.00249  -1.67248
   D378       1.07753   0.00000   0.00078  -0.00027   0.00051   1.07803
   D379      -1.33241   0.00000   0.00509  -0.00267   0.00242  -1.33000
   D380      -2.67027   0.00000   0.00093  -0.00019   0.00074  -2.66953
   D381       1.20297   0.00000   0.00524  -0.00259   0.00265   1.20563
   D382      -2.15760   0.00000   0.00093  -0.00015   0.00078  -2.15682
   D383       1.71564   0.00000   0.00524  -0.00255   0.00269   1.71834
   D384      -1.91676   0.00000   0.00066  -0.00007   0.00059  -1.91618
   D385       1.95648   0.00000   0.00497  -0.00247   0.00250   1.95898
   D386      -1.58950   0.00000   0.00052  -0.00004   0.00049  -1.58901
   D387       2.28374   0.00000   0.00484  -0.00244   0.00240   2.28614
   D388      -1.72525   0.00000   0.00102  -0.00012   0.00089  -1.72435
   D389       2.14800   0.00000   0.00533  -0.00253   0.00280   2.15080
   D390      -1.17187   0.00000   0.00062  -0.00001   0.00061  -1.17126
   D391       2.70137   0.00000   0.00493  -0.00241   0.00252   2.70390
   D392       1.83023   0.00000   0.00066  -0.00022   0.00043   1.83066
   D393      -0.57971   0.00000   0.00497  -0.00263   0.00234  -0.57737
   D394       2.14179   0.00000   0.00080  -0.00022   0.00057   2.14236
   D395      -0.26815   0.00000   0.00511  -0.00262   0.00248  -0.26567
   D396       2.11519   0.00000   0.00113  -0.00025   0.00088   2.11607
   D397      -0.29475   0.00000   0.00544  -0.00265   0.00279  -0.29196
   D398       2.35078   0.00000   0.00163  -0.00019   0.00144   2.35222
   D399      -0.05916   0.00000   0.00594  -0.00259   0.00335  -0.05581
   D400       2.53168   0.00000   0.00069  -0.00021   0.00048   2.53216
   D401       0.12174   0.00000   0.00500  -0.00261   0.00239   0.12413
   D402      -1.53242   0.00000  -0.00013  -0.00001  -0.00014  -1.53256
   D403       2.34082   0.00000   0.00419  -0.00241   0.00177   2.34259
   D404      -2.62559   0.00000   0.00000  -0.00001  -0.00001  -2.62560
   D405       1.24766   0.00000   0.00431  -0.00241   0.00190   1.24955
   D406      -2.97087   0.00000   0.00027  -0.00005   0.00023  -2.97064
   D407       0.90237   0.00000   0.00459  -0.00245   0.00214   0.90451
   D408       1.92628   0.00000   0.00005  -0.00039  -0.00034   1.92594
   D409       2.43493   0.00000   0.00045  -0.00039   0.00006   2.43498
   D410       2.66137   0.00000   0.00019  -0.00041  -0.00023   2.66114
   D411       2.88851   0.00000   0.00004  -0.00044  -0.00041   2.88810
   D412       2.89012   0.00000   0.00141  -0.00044   0.00096   2.89108
   D413      -2.89829   0.00000   0.00122  -0.00048   0.00074  -2.89755
   D414      -0.70815   0.00000   0.00041  -0.00011   0.00031  -0.70784
   D415      -0.33280   0.00000   0.00042  -0.00011   0.00031  -0.33248
   D416      -0.00537   0.00000   0.00039  -0.00009   0.00030  -0.00507
   D417       0.29919   0.00000   0.00043  -0.00010   0.00033   0.29953
   D418      -0.22295   0.00000   0.00041  -0.00012   0.00029  -0.22266
   D419       0.06891   0.00000   0.00049  -0.00010   0.00038   0.06929
   D420      -2.52321   0.00000   0.00036  -0.00028   0.00007  -2.52314
   D421      -2.14257   0.00000   0.00032  -0.00028   0.00003  -2.14253
   D422      -1.87981   0.00000   0.00047  -0.00031   0.00017  -1.87964
   D423      -1.56323   0.00000   0.00047  -0.00027   0.00020  -1.56303
   D424      -1.94759   0.00000   0.00013  -0.00026  -0.00014  -1.94772
   D425       1.29508   0.00000  -0.00043   0.00002  -0.00040   1.29468
   D426       2.46847   0.00000  -0.00032   0.00003  -0.00029   2.46818
   D427       2.94588   0.00000  -0.00026   0.00003  -0.00023   2.94565
   D428      -3.05077   0.00000  -0.00018   0.00034   0.00016  -3.05060
   D429       0.02578   0.00000   0.00012  -0.00014  -0.00002   0.02576
   D430       0.06101  -0.00001  -0.00020   0.00029   0.00008   0.06109
   D431       3.13756  -0.00001   0.00009  -0.00020  -0.00010   3.13745
   D432      -0.11957   0.00000  -0.00017  -0.00052  -0.00069  -0.12026
   D433       1.97900   0.00000  -0.00005  -0.00058  -0.00063   1.97837
   D434      -2.21671   0.00000  -0.00022  -0.00052  -0.00074  -2.21744
   D435       3.08378   0.00000  -0.00045  -0.00007  -0.00052   3.08327
   D436      -1.10083   0.00000  -0.00033  -0.00012  -0.00046  -1.10129
   D437       0.98664   0.00000  -0.00050  -0.00006  -0.00056   0.98608
   D438      -2.34065   0.00000   0.00083   0.00054   0.00136  -2.33929
   D439      -0.24992   0.00000   0.00092   0.00062   0.00154  -0.24838
   D440       1.85819   0.00000   0.00092   0.00059   0.00151   1.85970
   D441       0.73901   0.00000   0.00111   0.00008   0.00118   0.74019
   D442       2.82974   0.00000   0.00120   0.00016   0.00136   2.83110
   D443      -1.34533   0.00000   0.00120   0.00013   0.00133  -1.34400
   D444       0.00450   0.00000  -0.00046   0.00004  -0.00042   0.00408
   D445       3.11228   0.00000  -0.00044  -0.00008  -0.00052   3.11176
   D446      -3.11442   0.00000  -0.00053   0.00005  -0.00048  -3.11490
   D447      -0.00664  -0.00001  -0.00052  -0.00007  -0.00058  -0.00722
   D448       2.43105   0.00000  -0.00050  -0.00006  -0.00057   2.43048
   D449      -1.76885   0.00000  -0.00048  -0.00007  -0.00055  -1.76939
   D450       0.33915   0.00000  -0.00052  -0.00006  -0.00058   0.33857
   D451      -0.67834   0.00000  -0.00051   0.00005  -0.00047  -0.67881
   D452       1.40495   0.00000  -0.00049   0.00004  -0.00044   1.40450
   D453      -2.77025   0.00000  -0.00053   0.00005  -0.00048  -2.77072
   D454       2.04983   0.00000  -0.00024   0.00006  -0.00018   2.04965
   D455      -2.14978   0.00000  -0.00017   0.00004  -0.00013  -2.14991
   D456      -0.05640   0.00000  -0.00035   0.00007  -0.00028  -0.05668
   D457      -1.12395  -0.00001  -0.00023  -0.00005  -0.00029  -1.12424
   D458       0.95962  -0.00001  -0.00016  -0.00007  -0.00024   0.95939
   D459       3.05300  -0.00001  -0.00034  -0.00004  -0.00038   3.05262
   D460      -3.08658   0.00000  -0.00003   0.00009   0.00005  -3.08652
   D461      -0.02237   0.00000  -0.00031   0.00005  -0.00026  -0.02263
   D462       0.06901   0.00000  -0.00004   0.00004   0.00000   0.06901
   D463       3.13322   0.00000  -0.00032   0.00000  -0.00032   3.13290
   D464       1.91865   0.00000  -0.00116  -0.00040  -0.00156   1.91710
   D465      -2.28233   0.00000  -0.00104  -0.00038  -0.00142  -2.28375
   D466      -0.18943   0.00000  -0.00114  -0.00041  -0.00155  -0.19098
   D467      -1.14862   0.00000  -0.00089  -0.00036  -0.00125  -1.14987
   D468       0.93359   0.00000  -0.00078  -0.00034  -0.00112   0.93247
   D469       3.02648   0.00000  -0.00088  -0.00037  -0.00125   3.02523
   D470      -1.63166   0.00000   0.00050  -0.00004   0.00047  -1.63120
   D471       0.47304   0.00000   0.00045  -0.00004   0.00041   0.47346
   D472       2.56345   0.00000   0.00050  -0.00003   0.00047   2.56392
   D473       1.43604   0.00000   0.00024  -0.00008   0.00016   1.43620
   D474      -2.74244  -0.00001   0.00019  -0.00008   0.00011  -2.74233
   D475      -0.65204   0.00000   0.00024  -0.00007   0.00017  -0.65187
   D476       0.01472   0.00001  -0.00008   0.00009   0.00002   0.01473
   D477      -3.02151   0.00001   0.00016  -0.00028  -0.00012  -3.02162
   D478       3.12834   0.00000   0.00005   0.00006   0.00011   3.12845
   D479       0.09212   0.00000   0.00028  -0.00030  -0.00002   0.09210
   D480      -0.27576   0.00000   0.00011  -0.00021  -0.00011  -0.27586
   D481       1.83260  -0.00001   0.00012  -0.00024  -0.00012   1.83248
   D482      -2.36792   0.00000   0.00015  -0.00024  -0.00008  -2.36801
   D483       2.76580   0.00000  -0.00012   0.00014   0.00001   2.76581
   D484      -1.40903  -0.00001  -0.00011   0.00011   0.00000  -1.40902
   D485       0.67363   0.00000  -0.00008   0.00011   0.00004   0.67367
   D486      -0.11419   0.00000  -0.00085   0.00029  -0.00056  -0.11475
   D487       1.98216   0.00000  -0.00090   0.00030  -0.00060   1.98156
   D488      -2.21662   0.00000  -0.00088   0.00030  -0.00057  -2.21720
   D489       3.12730   0.00000  -0.00062  -0.00006  -0.00068   3.12662
   D490      -1.05953   0.00000  -0.00068  -0.00005  -0.00073  -1.06026
   D491       1.02487   0.00000  -0.00065  -0.00005  -0.00070   1.02417
         Item               Value     Threshold  Converged?
 Maximum Force            0.000023     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.004607     0.001800     NO 
 RMS     Displacement     0.000735     0.001200     YES
 Predicted change in Energy=-2.095233D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:52:58 2016, MaxMem=  2952790016 cpu:        13.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.785784   -0.574709    1.629935
      2          6           0       -2.038115    1.112359   -1.409599
      3          8           0       -2.556547    0.125250   -1.959491
      4          7           0       -0.751930    1.188831   -0.970686
      5          1           0       -2.613206    2.036094   -1.197948
      6          6           0       -0.262282    2.354211   -0.233585
      7          1           0       -1.034019    3.136555   -0.225690
      8          1           0       -0.020610    2.068758    0.803170
      9          1           0        0.648986    2.745295   -0.714320
     10          6           0        0.189354    0.079331   -1.139915
     11          1           0        0.729436   -0.087187   -0.194700
     12          1           0       -0.363756   -0.829713   -1.409678
     13          1           0        0.923264    0.315369   -1.928015
     14          6           0       -2.082936   -3.937073    2.696179
     15          8           0       -2.232411   -3.737682    3.913749
     16          7           0       -2.990528   -3.634422    1.728496
     17          1           0       -1.152762   -4.374459    2.281813
     18          6           0       -4.279477   -3.014919    2.049028
     19          1           0       -4.504001   -2.247557    1.291754
     20          1           0       -5.085520   -3.767556    2.039015
     21          1           0       -4.223128   -2.549975    3.041409
     22          6           0       -2.711062   -3.872875    0.312103
     23          1           0       -3.423945   -4.605155   -0.101259
     24          1           0       -2.814631   -2.929187   -0.249044
     25          1           0       -1.686578   -4.253073    0.195660
     26          6           0        1.610795    0.358427    2.572253
     27          8           0        1.464551    1.386537    3.254529
     28          7           0        1.205783   -0.890839    2.929892
     29          1           0        2.089003    0.378534    1.573099
     30          6           0        1.480903   -2.058226    2.090710
     31          1           0        2.230629   -2.709194    2.571193
     32          1           0        0.555846   -2.640666    1.949488
     33          1           0        1.853547   -1.727106    1.111510
     34          6           0        0.558585   -1.137317    4.220957
     35          1           0        1.300380   -1.439548    4.979900
     36          1           0        0.050733   -0.222787    4.552545
     37          1           0       -0.176583   -1.946022    4.102888
     38          6           0       -4.606611    0.973575    2.914562
     39          8           0       -4.863552    1.524578    1.830162
     40          7           0       -3.548331    1.269185    3.718143
     41          1           0       -5.226992    0.147503    3.315928
     42          6           0       -2.585682    2.319234    3.372070
     43          1           0       -2.692720    2.580397    2.311316
     44          1           0       -2.753369    3.215260    3.991890
     45          1           0       -1.566333    1.947421    3.558961
     46          6           0       -3.238611    0.470899    4.904768
     47          1           0       -4.033085   -0.269087    5.072933
     48          1           0       -2.277521   -0.052351    4.760572
     49          1           0       -3.154408    1.125212    5.787247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485490   0.000000
     3  O    3.737378   1.243196   0.000000
     4  N    3.307893   1.361163   2.316373   0.000000
     5  H    3.936730   1.108518   2.057786   2.057632   0.000000
     6  C    3.791087   2.465520   3.634649   1.463279   2.560866
     7  H    4.216868   2.550925   3.793694   2.104334   2.156416
     8  H    3.284403   3.143466   4.223802   2.110845   3.275225
     9  H    4.737728   3.220312   4.323254   2.109708   3.373242
    10  C    3.464247   2.470120   2.865969   1.464801   3.418571
    11  H    3.145362   3.251804   3.735947   2.103526   4.085105
    12  H    3.365477   2.564200   2.454094   2.101883   3.649343
    13  H    4.559625   3.110259   3.485142   2.117945   4.000064
    14  C    3.539869   6.508164   6.196938   6.441457   7.150115
    15  O    3.926790   7.204074   7.037205   7.093663   7.720812
    16  N    3.289827   5.769459   5.284385   5.963277   6.392276
    17  H    3.906886   6.671998   6.340872   6.456749   7.438873
    18  C    3.514081   5.832686   5.375628   6.263687   6.231536
    19  H    3.209593   4.966582   4.471396   5.568252   5.303149
    20  H    4.609758   6.707696   6.126801   7.239066   7.090318
    21  H    3.440142   6.164288   5.911288   6.490361   6.449498
    22  C    3.670248   5.316924   4.600980   5.577151   6.099651
    23  H    4.682424   6.026794   5.155787   6.439397   6.779839
    24  H    3.183183   4.275975   3.510246   4.661929   5.059151
    25  H    3.949347   5.611443   4.956938   5.643425   6.508026
    26  C    3.646293   5.453265   6.160991   4.338716   5.905181
    27  O    4.129222   5.839344   6.704184   4.775387   6.072444
    28  N    3.277087   5.776406   6.252490   4.834478   6.339612
    29  H    3.990724   5.144715   5.841616   3.898502   5.704119
    30  C    3.617234   5.889675   6.121495   4.990097   6.658863
    31  H    4.644736   6.976615   7.174833   6.052699   7.758023
    32  H    3.139032   5.665448   5.711164   4.990264   6.466941
    33  H    3.852469   5.437241   5.684294   4.430207   6.280697
    34  C    3.539208   6.595988   7.035344   5.837942   7.035292
    35  H    4.636230   7.647450   8.091949   6.821278   8.097040
    36  H    3.469625   6.457017   7.023223   5.756997   6.728097
    37  H    3.253541   6.573166   6.834240   5.991618   7.063515
    38  C    3.464753   5.031382   5.355261   5.477230   4.692052
    39  O    3.730918   4.318457   4.652082   4.986272   3.807250
    40  N    3.296533   5.347811   5.876032   5.459984   5.062663
    41  H    3.899496   5.781910   5.912852   6.283756   5.547407
    42  C    3.471280   4.961929   5.765411   4.847679   4.578864
    43  H    3.352836   4.053252   4.928092   4.058899   3.552115
    44  H    4.569345   5.840365   6.708639   5.721829   5.323955
    45  H    3.182836   5.060286   5.895265   4.664376   4.871549
    46  C    3.732095   6.459404   6.906717   6.420278   6.331201
    47  H    4.122863   6.921815   7.196573   7.029711   6.830364
    48  H    3.211784   6.283700   6.728198   6.059313   6.322836
    49  H    4.695328   7.282917   7.833857   7.172559   7.065095
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098955   0.000000
     8  H    1.102157   1.796035   0.000000
     9  H    1.102026   1.795648   1.791322   0.000000
    10  C    2.490078   3.417464   2.788814   2.738568   0.000000
    11  H    2.635421   3.674677   2.491268   2.880873   1.101294
    12  H    3.395713   4.193132   3.662729   3.780192   1.097754
    13  H    2.904047   3.832487   3.380036   2.729986   1.102469
    14  C    7.174856   7.724879   6.626212   7.984294   6.000869
    15  O    7.628430   8.113336   6.948562   8.470564   6.780417
    16  N    6.867082   7.313884   6.496377   7.740426   5.668456
    17  H    7.238452   7.919406   6.706952   7.931835   5.774578
    18  C    7.083483   7.317647   6.747880   8.068823   6.301920
    19  H    6.441670   6.582709   6.242603   7.450247   5.775379
    20  H    8.118150   8.319272   7.825803   9.103990   7.261434
    21  H    7.103867   7.292528   6.633519   8.116827   6.623195
    22  C    6.713487   7.227296   6.540848   7.492906   5.112798
    23  H    7.645025   8.103166   7.545979   8.425777   6.006592
    24  H    5.867625   6.321736   5.821784   6.664299   4.343819
    25  H    6.772671   7.430341   6.565826   7.433712   4.906384
    26  C    3.919732   4.747791   2.952349   4.174179   3.984793
    27  O    4.010646   4.627887   2.946233   4.273538   4.758787
    28  N    4.763733   5.585187   3.845283   5.178009   4.305542
    29  H    3.563137   4.538236   2.810714   3.592699   3.325452
    30  C    5.283053   6.219027   4.576495   5.624419   4.083404
    31  H    6.302338   7.256257   5.569813   6.561070   5.070997
    32  H    5.512163   6.374586   4.881088   6.009419   4.132446
    33  H    4.789902   5.812171   4.244540   4.978653   3.331917
    34  C    5.719051   6.369854   4.721827   6.280112   5.509584
    35  H    6.634376   7.313570   5.612335   7.096574   6.402618
    36  H    5.444809   5.940824   4.394779   6.075136   5.702157
    37  H    6.107728   6.730852   5.199127   6.774622   5.632313
    38  C    5.539872   5.225234   5.166122   6.627901   6.343480
    39  O    5.110677   4.635765   4.980455   6.192948   6.036717
    40  N    5.252766   5.036135   4.645557   6.280374   6.243938
    41  H    6.489757   6.249680   6.091928   7.584097   7.013984
    42  C    4.289541   4.002443   3.638899   5.229072   5.751174
    43  H    3.526288   3.081720   3.110700   4.510950   5.145160
    44  H    4.980116   4.555254   4.353203   5.826259   6.695452
    45  H    4.031058   4.002621   3.162019   4.879054   5.352721
    46  C    6.229612   6.187693   5.452687   7.201419   6.960062
    47  H    7.018532   6.976260   6.308436   8.031226   7.519965
    48  H    5.898672   6.047994   5.025314   6.809237   6.396762
    49  H    6.791557   6.685579   5.962549   7.704599   7.762743
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795155   0.000000
    13  H    1.789972   1.798973   0.000000
    14  C    5.575683   5.428566   6.964458   0.000000
    15  O    6.243236   6.347206   7.778926   1.242809   0.000000
    16  N    5.488141   4.961296   6.654974   1.360784   2.315326
    17  H    5.296837   5.178307   6.635286   1.108255   2.057751
    18  C    6.220542   5.663095   7.346849   2.468596   2.861826
    19  H    5.853683   5.142922   6.811072   3.269316   3.775639
    20  H    7.235213   6.543658   8.277263   3.078330   3.414053
    21  H    6.408246   6.137282   7.706537   2.573644   2.476808
    22  C    5.140555   4.211320   5.980622   2.466270   3.635827
    23  H    6.137698   5.032959   6.815190   3.173373   4.276979
    24  H    4.543163   3.429527   5.226657   3.197741   4.280360
    25  H    4.831574   4.005791   5.673793   2.551382   3.793118
    26  C    2.937924   4.600684   4.552687   5.666598   5.774768
    27  O    3.822230   5.478074   5.319695   6.421624   6.352930
    28  N    3.261264   4.615090   5.013384   4.488857   4.570958
    29  H    2.278252   4.046337   3.690628   6.106624   6.410654
    30  C    3.110112   4.143034   4.700539   4.074017   4.464610
    31  H    4.096177   5.109855   5.576742   4.486664   4.772732
    32  H    3.338851   3.925457   4.889597   3.033380   3.582756
    33  H    2.378895   3.475361   3.778338   4.784458   5.346963
    34  C    4.542025   5.713964   6.328755   4.140195   3.827000
    35  H    5.378787   6.630834   7.137313   4.785379   4.347265
    36  H    4.797433   6.007351   6.561141   4.668465   4.239728
    37  H    4.769214   5.627572   6.534167   3.094722   2.733542
    38  C    6.266269   6.320816   7.379925   5.525495   5.369464
    39  O    6.162740   6.023903   7.005235   6.189624   6.241444
    40  N    5.953938   6.390731   7.265261   5.504263   5.180600
    41  H    6.917992   6.851085   8.084105   5.191622   4.941616
    42  C    5.431641   6.141494   6.664764   6.312762   6.091342
    43  H    5.010716   5.558662   6.014783   6.557238   6.534355
    44  H    6.368958   7.158840   7.547997   7.299604   6.972869
    45  H    4.847696   5.817734   6.242482   5.969803   5.734975
    46  C    6.485479   7.058938   8.002019   5.063957   4.439224
    47  H    7.103707   7.470109   8.597689   4.786038   4.076431
    48  H    5.796355   6.506825   7.424112   4.403482   3.781641
    49  H    7.234491   7.962738   8.764047   6.027395   5.292241
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056988   0.000000
    18  C    1.465576   3.417439   0.000000
    19  H    2.098747   4.090811   1.101235   0.000000
    20  H    2.122060   3.986712   1.102845   1.790799   0.000000
    21  H    2.102158   3.651421   1.097346   1.797676   1.797503
    22  C    1.463260   2.561181   2.492574   2.610748   2.937919
    23  H    2.116170   3.300080   2.807939   2.943684   2.836049
    24  H    2.106883   3.354975   2.726583   2.385927   3.330917
    25  H    2.105374   2.156786   3.419228   3.627862   3.896985
    26  C    6.150361   5.488334   6.807975   6.769162   7.883445
    27  O    6.883788   6.401998   7.336205   7.258287   8.422920
    28  N    5.155543   4.256565   5.947748   6.093095   6.974930
    29  H    6.475307   5.796745   7.231844   7.102338   8.299453
    30  C    4.754923   3.512498   5.839433   6.040964   6.785455
    31  H    5.369047   3.782087   6.538166   6.870612   7.411436
    32  H    3.689601   2.456790   4.850806   5.117538   5.753513
    33  H    5.242480   4.173246   6.336513   6.381361   7.292075
    34  C    5.004408   4.143437   5.625790   5.953372   6.598102
    35  H    5.813863   4.680949   6.496662   6.924315   7.405954
    36  H    5.372503   4.882726   5.728379   5.956346   6.727877
    37  H    4.050522   3.188503   4.711117   5.169134   5.628075
    38  C    5.025148   6.397728   4.094417   3.608286   4.845024
    39  O    5.489430   6.983738   4.582148   3.827292   5.300903
    40  N    5.321203   6.297024   4.655541   4.378143   5.527312
    41  H    4.671688   6.173887   3.536061   3.218122   4.120462
    42  C    6.189609   6.931627   5.750876   5.372452   6.713810
    43  H    6.249187   7.123367   5.821868   5.256366   6.789414
    44  H    7.217848   7.942930   6.702152   6.340174   7.616584
    45  H    6.044494   6.462841   5.853706   5.600711   6.881561
    46  C    5.196528   5.891362   4.624886   4.695219   5.439495
    47  H    4.857743   5.739398   4.091980   4.293416   4.748848
    48  H    4.746904   5.107832   4.487439   4.669993   5.393930
    49  H    6.257351   6.822099   5.690408   5.779830   6.458918
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389029   0.000000
    23  H    3.839117   1.102408   0.000000
    24  H    3.599270   1.102796   1.789405   0.000000
    25  H    4.175274   1.098943   1.797378   1.795254   0.000000
    26  C    6.535561   6.456830   7.558665   6.192941   6.147096
    27  O    6.920350   7.331783   8.429655   7.015119   7.147831
    28  N    5.677872   5.575575   6.664713   5.515816   5.210220
    29  H    7.111617   6.534923   7.617954   6.189253   6.132220
    30  C    5.803586   4.901935   5.945512   4.968364   4.294357
    31  H    6.472823   5.556794   6.535356   5.784184   4.834380
    32  H    4.902969   3.856431   4.889122   4.034464   3.271732
    33  H    6.428655   5.106764   6.132365   5.008792   4.444297
    34  C    5.123643   5.783858   6.824075   5.879651   5.563425
    35  H    5.958183   6.618239   7.626172   6.818666   6.302920
    36  H    5.095609   6.239553   7.275743   6.212099   6.184166
    37  H    4.226822   4.950395   5.940640   5.183168   4.782154
    38  C    3.546626   5.818418   6.451055   5.333962   6.575475
    39  O    4.298750   6.005849   6.586083   5.325148   6.793085
    40  N    3.936915   6.224380   7.007936   5.822646   6.809503
    41  H    2.891279   5.613939   6.125022   5.290985   6.452570
    42  C    5.147792   6.908064   7.791910   6.380503   7.354807
    43  H    5.403323   6.755880   7.614943   6.076662   7.223893
    44  H    6.025076   7.986506   8.852255   7.466157   8.445436
    45  H    5.249095   6.762274   7.732023   6.311930   7.054954
    46  C    3.683349   6.343442   7.131688   6.188870   6.848387
    47  H    3.060336   6.115598   6.778259   6.073236   6.720567
    48  H    3.602643   5.879902   6.758677   5.801804   6.231669
    49  H    4.710498   7.426617   8.220965   7.279451   7.895968
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242537   0.000000
    28  N    1.361105   2.314907   0.000000
    29  H    1.107879   2.057479   2.057249   0.000000
    30  C    2.467584   3.636088   1.463800   2.564275   0.000000
    31  H    3.129616   4.222421   2.117875   3.248125   1.103047
    32  H    3.239647   4.329809   2.108437   3.407023   1.102230
    33  H    2.557762   3.799819   2.103677   2.168461   1.098789
    34  C    2.462239   2.850368   1.465081   3.413376   2.497338
    35  H    3.020900   3.315209   2.124279   3.941274   2.960198
    36  H    2.587114   2.504725   2.100818   3.659676   3.387456
    37  H    3.293637   3.810378   2.097680   4.115370   2.609351
    38  C    6.257133   6.094680   6.104113   6.854549   6.850430
    39  O    6.620254   6.487893   6.624233   7.051065   7.290849
    40  N    5.362753   5.035643   5.280969   6.097049   6.246071
    41  H    6.881342   6.805565   6.527462   7.524268   7.166746
    42  C    4.700520   4.157900   4.987514   5.371713   6.110742
    43  H    4.850307   4.426946   5.256466   5.315829   6.243767
    44  H    5.405810   4.656047   5.801962   6.111148   7.025183
    45  H    3.686819   3.097342   4.016973   4.445957   5.242768
    46  C    5.382380   5.067684   5.050455   6.284268   6.048902
    47  H    6.204882   6.022598   5.694290   7.081541   6.519106
    48  H    4.480679   4.282718   4.023413   5.423300   5.027669
    49  H    5.799250   5.274252   5.589293   6.768304   6.729396
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787768   0.000000
    33  H    1.799268   1.794666   0.000000
    34  C    2.826349   2.723901   3.419567   0.000000
    35  H    2.877366   3.343713   3.918307   1.103448   0.000000
    36  H    3.854858   3.588480   4.165794   1.097375   1.795761
    37  H    2.953505   2.378259   3.621836   1.099279   1.790834
    38  C    7.773580   6.375349   7.230375   5.730776   6.706812
    39  O    8.294659   6.836181   7.497288   6.496242   7.530004
    40  N    7.109105   5.937958   6.704669   4.786527   5.695548
    41  H    8.020690   6.563708   7.649029   5.995227   6.920558
    42  C    7.008806   6.040989   6.417925   4.749187   5.640482
    43  H    7.230953   6.159837   6.376728   5.295197   6.263078
    44  H    7.871326   7.029522   7.344879   5.474161   6.251102
    45  H    6.089062   5.305148   5.584599   3.803831   4.659257
    46  C    6.743230   5.728300   6.719383   4.180031   4.925230
    47  H    7.172653   6.036438   7.243696   4.750066   5.461180
    48  H    5.672356   4.757052   5.760745   3.084127   3.843670
    49  H    7.351483   6.532704   7.421446   4.621539   5.203359
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795384   0.000000
    38  C    5.079875   5.437032   0.000000
    39  O    5.883439   6.259235   1.243200   0.000000
    40  N    3.984404   4.674855   1.361280   2.315060   0.000000
    41  H    5.433297   5.523476   1.108315   2.058136   2.058603
    42  C    3.847867   4.952804   2.470681   2.863154   1.465969
    43  H    4.517464   5.479885   2.570751   2.461457   2.104877
    44  H    4.471855   5.769833   3.101659   3.461841   2.119931
    45  H    2.883039   4.169671   3.256827   3.746891   2.100872
    46  C    3.380096   3.982528   2.466785   3.633713   1.463306
    47  H    4.117101   4.315751   2.555721   3.797693   2.106353
    48  H    2.343735   2.903873   3.144032   4.214447   2.109046
    49  H    3.689786   4.597498   3.222454   4.328879   2.111184
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419954   0.000000
    43  H    3.653868   1.097662   0.000000
    44  H    3.998357   1.102341   1.797514   0.000000
    45  H    4.086465   1.101021   1.796113   1.789943   0.000000
    46  C    2.565668   2.488337   3.387325   2.932631   2.605347
    47  H    2.164724   3.418672   4.188397   3.866135   3.645530
    48  H    3.290337   2.765378   3.619752   3.390366   2.439006
    49  H    3.370303   2.753583   3.796421   2.784320   2.857144
                   46         47         48         49
    46  C    0.000000
    47  H    1.098657   0.000000
    48  H    1.103756   1.796260   0.000000
    49  H    1.101811   1.796215   1.791549   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2164770      0.1953695      0.1843761
 Leave Link  202 at Mon Nov 14 05:52:59 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.3655289935 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1853766926 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.1801523009 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4054
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.46D-10
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     237
 GePol: Fraction of low-weight points (<1% of avg)   =       5.85%
 GePol: Cavity surface area                          =    468.288 Ang**2
 GePol: Cavity volume                                =    458.526 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040328451 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.1761194559 Hartrees.
 Leave Link  301 at Mon Nov 14 05:52:59 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11988 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:53:00 2016, MaxMem=  2952790016 cpu:        13.4
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:53:00 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000176   -0.000080   -0.000143
         Rot=    1.000000    0.000007   -0.000001   -0.000005 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:53:01 2016, MaxMem=  2952790016 cpu:         7.3
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49304748.
 Iteration    1 A*A^-1 deviation from unit magnitude is 7.77D-15 for   2534.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.88D-15 for   3740   2501.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.22D-15 for   3088.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.80D-11 for   1800   1797.
 E= -1013.45147517246    
 DIIS: error= 4.22D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45147517246     IErMin= 1 ErrMin= 4.22D-05
 ErrMax= 4.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-06 BMatP= 2.20D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=8.09D-06 MaxDP=2.15D-04              OVMax= 3.34D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.09D-06    CP:  1.00D+00
 E= -1013.45147857571     Delta-E=       -0.000003403249 Rises=F Damp=F
 DIIS: error= 7.74D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147857571     IErMin= 2 ErrMin= 7.74D-06
 ErrMax= 7.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-08 BMatP= 2.20D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.296D-01 0.970D+00
 Coeff:      0.296D-01 0.970D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.92D-06 MaxDP=1.11D-04 DE=-3.40D-06 OVMax= 1.39D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.90D-06    CP:  1.00D+00  9.73D-01
 E= -1013.45147838225     Delta-E=        0.000000193460 Rises=F Damp=F
 DIIS: error= 2.11D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147857571     IErMin= 2 ErrMin= 7.74D-06
 ErrMax= 2.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-07 BMatP= 4.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-02 0.714D+00 0.283D+00
 Coeff:      0.311D-02 0.714D+00 0.283D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.44D-06 MaxDP=8.68D-05 DE= 1.93D-07 OVMax= 1.24D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.19D-07    CP:  1.00D+00  9.80D-01  2.98D-01
 E= -1013.45147861271     Delta-E=       -0.000000230461 Rises=F Damp=F
 DIIS: error= 3.65D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147861271     IErMin= 4 ErrMin= 3.65D-06
 ErrMax= 3.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.60D-09 BMatP= 4.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.388D-04 0.295D+00 0.162D+00 0.542D+00
 Coeff:      0.388D-04 0.295D+00 0.162D+00 0.542D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.62D-07 MaxDP=1.68D-05 DE=-2.30D-07 OVMax= 2.58D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.62D-07    CP:  1.00D+00  9.83D-01  3.29D-01  6.22D-01
 E= -1013.45147861686     Delta-E=       -0.000000004151 Rises=F Damp=F
 DIIS: error= 2.01D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147861686     IErMin= 5 ErrMin= 2.01D-06
 ErrMax= 2.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-09 BMatP= 5.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.283D-04 0.139D+00 0.860D-01 0.373D+00 0.402D+00
 Coeff:     -0.283D-04 0.139D+00 0.860D-01 0.373D+00 0.402D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.02D-08 MaxDP=6.66D-06 DE=-4.15D-09 OVMax= 7.44D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.44D-08    CP:  1.00D+00  9.83D-01  3.25D-01  6.40D-01  5.97D-01
 E= -1013.45147861779     Delta-E=       -0.000000000935 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147861779     IErMin= 6 ErrMin= 1.04D-07
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.96D-12 BMatP= 1.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.190D-04 0.468D-01 0.299D-01 0.135D+00 0.166D+00 0.623D+00
 Coeff:     -0.190D-04 0.468D-01 0.299D-01 0.135D+00 0.166D+00 0.623D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=5.10D-07 DE=-9.35D-10 OVMax= 7.37D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.11D-08    CP:  1.00D+00  9.83D-01  3.26D-01  6.43D-01  5.84D-01
                    CP:  8.92D-01
 E= -1013.45147861769     Delta-E=        0.000000000106 Rises=F Damp=F
 DIIS: error= 5.92D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -1013.45147861779     IErMin= 7 ErrMin= 5.92D-08
 ErrMax= 5.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-12 BMatP= 8.96D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-04 0.853D-02 0.586D-02 0.279D-01 0.410D-01 0.348D+00
 Coeff-Com:  0.569D+00
 Coeff:     -0.113D-04 0.853D-02 0.586D-02 0.279D-01 0.410D-01 0.348D+00
 Coeff:      0.569D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.50D-09 MaxDP=1.76D-07 DE= 1.06D-10 OVMax= 2.58D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45147862     A.U. after    7 cycles
            NFock=  7  Conv=0.45D-08     -V/T= 2.0213
 KE= 9.923519483351D+02 PE=-6.033874160302D+03 EE= 2.176894613894D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:54:29 2016, MaxMem=  2952790016 cpu:       996.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11988 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     369
 Leave Link  701 at Mon Nov 14 05:54:37 2016, MaxMem=  2952790016 cpu:        97.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:54:37 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:55:14 2016, MaxMem=  2952790016 cpu:       442.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21725957D+00-2.48893571D+00 3.31691289D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000003133   -0.000071545    0.000010812
      2        6          -0.000024684    0.000018153    0.000003025
      3        8           0.000000565    0.000039260    0.000003450
      4        7           0.000005168    0.000003091    0.000012937
      5        1           0.000011402    0.000028726    0.000028717
      6        6           0.000038965    0.000016426    0.000016536
      7        1           0.000005582    0.000013645    0.000034221
      8        1          -0.000004105    0.000005563    0.000014824
      9        1          -0.000002447    0.000018688    0.000016218
     10        6           0.000004511    0.000016233    0.000006864
     11        1          -0.000007431    0.000027572   -0.000005956
     12        1           0.000001402    0.000024348   -0.000004604
     13        1           0.000001692    0.000019428    0.000003868
     14        6          -0.000032647    0.000010745   -0.000018553
     15        8          -0.000009427   -0.000023422   -0.000026709
     16        7          -0.000003310   -0.000001525   -0.000022895
     17        1          -0.000007554    0.000000497   -0.000036531
     18        6          -0.000027213    0.000035631   -0.000042262
     19        1           0.000001603    0.000012411   -0.000018390
     20        1          -0.000008101    0.000009163   -0.000024665
     21        1           0.000003903   -0.000000019   -0.000012907
     22        6          -0.000008689    0.000064859   -0.000103157
     23        1          -0.000016920    0.000007753   -0.000002075
     24        1          -0.000022121   -0.000001125    0.000006151
     25        1          -0.000014554    0.000012546   -0.000022416
     26        6           0.000006625   -0.000016361    0.000004967
     27        8           0.000004964   -0.000014850    0.000016905
     28        7           0.000003685   -0.000022839    0.000012629
     29        1          -0.000006598    0.000001614    0.000004743
     30        6          -0.000003467    0.000029530    0.000005115
     31        1          -0.000009553   -0.000020271   -0.000018014
     32        1          -0.000008541   -0.000000810   -0.000011752
     33        1           0.000002866   -0.000006850   -0.000009912
     34        6          -0.000002588   -0.000006900   -0.000004159
     35        1          -0.000000151   -0.000032814   -0.000007837
     36        1           0.000010225   -0.000030786    0.000009163
     37        1          -0.000014000   -0.000019080   -0.000015594
     38        6           0.000023802    0.000003501    0.000047454
     39        8           0.000026298    0.000015934    0.000005658
     40        7          -0.000011200   -0.000000732   -0.000023629
     41        1          -0.000006656   -0.000001634   -0.000007390
     42        6           0.000016905   -0.000034746    0.000033573
     43        1           0.000006768    0.000003670    0.000023924
     44        1           0.000002313   -0.000006057    0.000025352
     45        1           0.000028628   -0.000019114    0.000034839
     46        6           0.000034496   -0.000051659    0.000045012
     47        1           0.000000070   -0.000009038   -0.000000408
     48        1           0.000001842   -0.000020771    0.000002640
     49        1           0.000004545   -0.000026038    0.000010218
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000103157 RMS     0.000021507
 Leave Link  716 at Mon Nov 14 05:55:14 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000024699 RMS     0.000003491
 Search for a local minimum.
 Step number 132 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .34909D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  112  113  114  115  116
                                                    117  118  119  120  121
                                                    122  123  124  125  126
                                                    127  128  129  130  131
                                                    132
 DE= -3.22D-07 DEPred=-2.10D-07 R= 1.54D+00
 Trust test= 1.54D+00 RLast= 2.30D-02 DXMaxT set to 2.83D-01
 ITU=  0  0  0  0  1  1  1  1  1  1  1  1 -1  1 -1  0 -1  1  1  1
 ITU=  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1 -1
 ITU= -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1  0
 ITU=  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1  1
     Eigenvalues ---    0.00002   0.00024   0.00070   0.00080   0.00086
     Eigenvalues ---    0.00102   0.00112   0.00145   0.00178   0.00198
     Eigenvalues ---    0.00222   0.00243   0.00324   0.00334   0.00405
     Eigenvalues ---    0.00478   0.00507   0.00613   0.00697   0.00727
     Eigenvalues ---    0.00818   0.00863   0.00905   0.00941   0.01015
     Eigenvalues ---    0.01067   0.01180   0.01231   0.01319   0.01379
     Eigenvalues ---    0.01428   0.01479   0.01603   0.01706   0.01762
     Eigenvalues ---    0.01775   0.01789   0.01876   0.01927   0.02024
     Eigenvalues ---    0.02041   0.02150   0.02262   0.02324   0.02362
     Eigenvalues ---    0.02489   0.02544   0.02634   0.02944   0.03165
     Eigenvalues ---    0.03217   0.03455   0.04015   0.04479   0.04924
     Eigenvalues ---    0.05361   0.05766   0.05932   0.06146   0.06286
     Eigenvalues ---    0.06491   0.06645   0.06726   0.07033   0.07091
     Eigenvalues ---    0.07300   0.07465   0.07690   0.07907   0.08071
     Eigenvalues ---    0.08296   0.08505   0.08591   0.08843   0.09019
     Eigenvalues ---    0.09143   0.09350   0.09466   0.09502   0.09749
     Eigenvalues ---    0.09858   0.10130   0.10447   0.10654   0.10760
     Eigenvalues ---    0.10992   0.11067   0.11176   0.11445   0.12929
     Eigenvalues ---    0.13048   0.14015   0.14337   0.14613   0.15172
     Eigenvalues ---    0.15233   0.15514   0.20909   0.22269   0.22902
     Eigenvalues ---    0.23405   0.24636   0.24886   0.25425   0.25932
     Eigenvalues ---    0.27073   0.27579   0.28143   0.28767   0.29366
     Eigenvalues ---    0.29784   0.30752   0.32790   0.32815   0.32862
     Eigenvalues ---    0.32952   0.33249   0.33302   0.33364   0.33373
     Eigenvalues ---    0.33390   0.33427   0.33459   0.33512   0.33739
     Eigenvalues ---    0.33818   0.33826   0.33838   0.33958   0.33985
     Eigenvalues ---    0.34083   0.34250   0.34326   0.35868   0.37539
     Eigenvalues ---    0.39579   0.40842   0.86161   0.86338   0.86898
     Eigenvalues ---    0.90053
 Eigenvalue     1 is   1.64D-05 Eigenvector:
                         D399      D397      D395      D407      D379
   1                   -0.23075  -0.22770  -0.22309  -0.22212  -0.22199
                         D401      D377      D393      D381      D383
   1                   -0.22153  -0.22126  -0.22096  -0.22055  -0.21895
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   132  131  130  129  128
 RFO step:  Lambda=-3.30805317D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  6.17D-07 SmlDif=  1.00D-05
 RMS Error=  0.1843691597D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.66653   -0.35190   -0.86246    0.44556    0.10227
 Iteration  1 RMS(Cart)=  0.00045178 RMS(Int)=  0.00000076
 Iteration  2 RMS(Cart)=  0.00000019 RMS(Int)=  0.00000072
 ITry= 1 IFail=0 DXMaxC= 3.20D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58662   0.00000  -0.00060   0.00008  -0.00052   6.58610
    R2        6.25101   0.00000   0.00028  -0.00001   0.00027   6.25128
    R3        7.16412   0.00000   0.00066   0.00011   0.00077   7.16489
    R4        6.20662   0.00000   0.00118   0.00016   0.00134   6.20796
    R5        6.54648   0.00001   0.00106   0.00003   0.00109   6.54757
    R6        5.94387   0.00000  -0.00046   0.00026  -0.00020   5.94368
    R7        6.68938  -0.00001  -0.00040  -0.00005  -0.00045   6.68893
    R8        6.21687  -0.00001  -0.00025  -0.00009  -0.00034   6.21654
    R9        6.64065  -0.00001  -0.00036  -0.00017  -0.00053   6.64012
   R10        6.06525  -0.00001  -0.00094   0.00001  -0.00093   6.06432
   R11        6.93576   0.00000  -0.00049   0.00018  -0.00031   6.93546
   R12        6.01534   0.00000  -0.00019   0.00042   0.00023   6.01558
   R13        6.89050   0.00000  -0.00004  -0.00002  -0.00006   6.89043
   R14        6.19280   0.00000  -0.00028  -0.00011  -0.00040   6.19240
   R15        6.83558  -0.00001  -0.00011  -0.00035  -0.00046   6.83512
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   A181       1.86110   0.00000  -0.00011  -0.00013  -0.00024   1.86086
   A182       2.23297   0.00000  -0.00012  -0.00011  -0.00023   2.23274
   A183       2.56516   0.00000  -0.00008  -0.00010  -0.00018   2.56498
   A184       2.21351   0.00000  -0.00014  -0.00007  -0.00021   2.21330
   A185       2.27337   0.00000  -0.00018   0.00003  -0.00015   2.27322
   A186       0.69320   0.00000  -0.00001   0.00002   0.00001   0.69321
   A187       0.98512   0.00000   0.00001   0.00003   0.00005   0.98517
   A188       0.69890   0.00000   0.00001   0.00000   0.00002   0.69892
   A189       2.15102   0.00000  -0.00009  -0.00010  -0.00019   2.15084
   A190       1.76318   0.00000  -0.00006  -0.00009  -0.00015   1.76303
   A191       1.44204   0.00000  -0.00016  -0.00015  -0.00031   1.44173
   A192       1.13333  -0.00001  -0.00011  -0.00012  -0.00024   1.13309
   A193       1.63499   0.00000   0.00009  -0.00002   0.00007   1.63506
   A194       1.41931   0.00000   0.00020  -0.00003   0.00017   1.41948
   A195       0.66834   0.00000  -0.00001   0.00002   0.00000   0.66835
   A196       2.26431   0.00000  -0.00015  -0.00002  -0.00018   2.26414
   A197       1.86582   0.00000  -0.00018  -0.00006  -0.00024   1.86558
   A198       1.66262  -0.00001  -0.00030  -0.00014  -0.00044   1.66218
   A199       1.34189  -0.00001  -0.00029  -0.00014  -0.00043   1.34145
   A200       1.60511  -0.00001  -0.00006   0.00001  -0.00005   1.60506
   A201       1.33748   0.00000   0.00002   0.00000   0.00001   1.33749
   A202       0.71261   0.00000   0.00006   0.00001   0.00007   0.71268
   A203       2.62862   0.00000  -0.00015   0.00005  -0.00011   2.62852
   A204       2.25436   0.00000  -0.00021  -0.00002  -0.00023   2.25413
   A205       2.07840  -0.00001  -0.00028  -0.00012  -0.00040   2.07800
   A206       1.75740  -0.00001  -0.00027  -0.00012  -0.00039   1.75701
   A207       1.93337  -0.00001  -0.00013   0.00004  -0.00009   1.93328
   A208       1.65169  -0.00001  -0.00010   0.00003  -0.00006   1.65162
   A209       0.83216   0.00000  -0.00003  -0.00002  -0.00005   0.83211
   A210       2.61335   0.00000  -0.00027   0.00007  -0.00020   2.61315
   A211       2.34969   0.00000  -0.00040  -0.00003  -0.00042   2.34927
   A212       2.30432   0.00000  -0.00042  -0.00013  -0.00055   2.30378
   A213       1.99149  -0.00001  -0.00040  -0.00014  -0.00054   1.99095
   A214       1.96650  -0.00001  -0.00035   0.00001  -0.00034   1.96616
   A215       1.69313   0.00000  -0.00035   0.00001  -0.00034   1.69278
   A216       1.91653   0.00000  -0.00021   0.00003  -0.00018   1.91636
   A217       1.55013   0.00000  -0.00030  -0.00002  -0.00031   1.54981
   A218       1.48845  -0.00001  -0.00046  -0.00010  -0.00056   1.48789
   A219       1.19888  -0.00001  -0.00048  -0.00014  -0.00062   1.19825
   A220       1.22388  -0.00001  -0.00017   0.00003  -0.00014   1.22374
   A221       0.94428   0.00000  -0.00011   0.00002  -0.00009   0.94419
   A222       0.72841   0.00000   0.00001   0.00002   0.00002   0.72844
   A223       1.02080   0.00000   0.00000   0.00001   0.00000   1.02080
   A224       0.69591   0.00000  -0.00001   0.00001   0.00000   0.69591
   A225       0.97794   0.00000  -0.00004   0.00002  -0.00002   0.97792
   A226       0.65952   0.00000  -0.00002  -0.00002  -0.00004   0.65947
   A227       0.65953   0.00000  -0.00003  -0.00003  -0.00006   0.65947
   A228       0.70184   0.00000  -0.00003  -0.00003  -0.00006   0.70178
   A229       0.84990   0.00000  -0.00001  -0.00008  -0.00010   0.84980
   A230       0.75688   0.00000  -0.00003  -0.00006  -0.00009   0.75679
   A231       0.78260   0.00000   0.00001  -0.00013  -0.00013   0.78248
   A232       1.60240   0.00000  -0.00019   0.00001  -0.00018   1.60222
   A233       1.84876  -0.00001  -0.00023   0.00001  -0.00022   1.84854
   A234       2.19110   0.00000   0.00004  -0.00002   0.00003   2.19112
   A235       2.12912   0.00000  -0.00001   0.00000  -0.00001   2.12911
   A236       1.96257   0.00000  -0.00004   0.00001  -0.00002   1.96255
   A237       2.12159   0.00000  -0.00005   0.00004  -0.00002   2.12158
   A238       2.12633   0.00000   0.00014   0.00000   0.00014   2.12647
   A239       2.03354   0.00000  -0.00008  -0.00003  -0.00011   2.03343
   A240       1.83823  -0.00001  -0.00039   0.00002  -0.00036   1.83787
   A241       2.53379   0.00001   0.00037   0.00000   0.00037   2.53416
   A242       1.91304   0.00000  -0.00001   0.00001   0.00001   1.91304
   A243       1.91872   0.00000  -0.00004   0.00000  -0.00005   1.91867
   A244       1.91728   0.00000  -0.00002   0.00000  -0.00002   1.91725
   A245       1.90880   0.00000   0.00006  -0.00001   0.00005   1.90885
   A246       1.90836   0.00000   0.00003  -0.00002   0.00002   1.90837
   A247       1.89751   0.00001  -0.00003   0.00002   0.00000   1.89751
   A248       1.32108   0.00000   0.00122  -0.00011   0.00111   1.32219
   A249       1.90764  -0.00001   0.00008  -0.00001   0.00007   1.90771
   A250       1.90905   0.00000   0.00003   0.00002   0.00004   1.90910
   A251       1.92644   0.00000  -0.00011   0.00002  -0.00009   1.92635
   A252       1.91006   0.00001   0.00009   0.00000   0.00009   1.91015
   A253       1.89594   0.00000  -0.00010   0.00001  -0.00008   1.89586
   A254       1.91457   0.00000   0.00001  -0.00003  -0.00002   1.91455
   A255       1.72420   0.00001  -0.00020   0.00001  -0.00019   1.72401
   A256       1.76379  -0.00001   0.00022   0.00004   0.00026   1.76405
   A257       2.19048   0.00001  -0.00001   0.00001   0.00000   2.19049
   A258       2.13006   0.00000   0.00001  -0.00001   0.00000   2.13006
   A259       1.96242  -0.00001   0.00000   0.00000   0.00000   1.96242
   A260       2.12359   0.00000  -0.00009   0.00002  -0.00008   2.12352
   A261       2.12318   0.00001   0.00004  -0.00003   0.00002   2.12320
   A262       2.03595  -0.00001   0.00004   0.00001   0.00005   2.03600
   A263       1.34610   0.00000   0.00034  -0.00012   0.00022   1.34633
   A264       1.90018   0.00000   0.00010   0.00000   0.00010   1.90028
   A265       1.93086   0.00000  -0.00004  -0.00001  -0.00005   1.93080
   A266       1.90893  -0.00001  -0.00003  -0.00001  -0.00005   1.90888
   A267       1.89683   0.00000  -0.00002   0.00002   0.00000   1.89683
   A268       1.91464   0.00000  -0.00002   0.00001  -0.00001   1.91463
   A269       1.91229   0.00000   0.00002   0.00000   0.00002   1.91231
   A270       2.67827   0.00000   0.00033   0.00012   0.00045   2.67872
   A271       1.68496   0.00000  -0.00036  -0.00009  -0.00045   1.68451
   A272       1.92591   0.00000   0.00002   0.00000   0.00002   1.92593
   A273       1.91257   0.00000   0.00001  -0.00002  -0.00001   1.91256
   A274       1.91452   0.00000  -0.00001  -0.00003  -0.00004   1.91448
   A275       1.89325   0.00000  -0.00002   0.00004   0.00002   1.89327
   A276       1.91060   0.00000   0.00003   0.00000   0.00002   1.91063
   A277       1.90677   0.00001  -0.00004   0.00001  -0.00002   1.90674
   A278       1.81730   0.00000  -0.00006   0.00011   0.00005   1.81735
   A279       1.74534   0.00000   0.00023  -0.00017   0.00007   1.74540
   A280       2.18969   0.00000   0.00002   0.00002   0.00005   2.18974
   A281       2.13057   0.00000  -0.00004  -0.00003  -0.00007   2.13051
   A282       1.96283   0.00000   0.00002   0.00000   0.00002   1.96285
   A283       2.12400   0.00000  -0.00009   0.00002  -0.00007   2.12392
   A284       2.11461   0.00000  -0.00004   0.00002  -0.00002   2.11459
   A285       2.04211   0.00000   0.00012  -0.00003   0.00009   2.04220
   A286       2.71733   0.00000   0.00059   0.00014   0.00073   2.71806
   A287       1.64002   0.00000  -0.00054  -0.00014  -0.00069   1.63933
   A288       1.92695   0.00000   0.00009  -0.00002   0.00007   1.92702
   A289       1.91466   0.00001  -0.00005   0.00001  -0.00003   1.91463
   A290       1.91167   0.00000  -0.00004   0.00000  -0.00004   1.91163
   A291       1.89062   0.00000   0.00007   0.00000   0.00007   1.89069
   A292       1.91295   0.00000  -0.00002   0.00000  -0.00002   1.91294
   A293       1.90677   0.00000  -0.00005   0.00000  -0.00004   1.90672
   A294       1.35122   0.00001  -0.00042   0.00032  -0.00011   1.35111
   A295       1.15417  -0.00001   0.00032  -0.00020   0.00013   1.15429
   A296       1.93394   0.00000   0.00005  -0.00002   0.00003   1.93396
   A297       1.90764   0.00000  -0.00002   0.00001  -0.00001   1.90763
   A298       1.90133   0.00000   0.00000   0.00002   0.00002   1.90135
   A299       1.90873   0.00000  -0.00006   0.00001  -0.00005   1.90869
   A300       1.89860   0.00000   0.00001  -0.00001   0.00000   1.89859
   A301       1.91351   0.00000   0.00002   0.00000   0.00001   1.91352
   A302       1.61372  -0.00001  -0.00020  -0.00029  -0.00049   1.61323
   A303       1.83063   0.00000   0.00010   0.00009   0.00019   1.83082
   A304       2.18871  -0.00001   0.00004  -0.00004   0.00000   2.18871
   A305       2.13003   0.00000   0.00003   0.00000   0.00003   2.13007
   A306       1.96410   0.00000  -0.00007   0.00003  -0.00004   1.96406
   A307       2.12550   0.00000   0.00001  -0.00001   0.00000   2.12550
   A308       2.12325   0.00000  -0.00001   0.00005   0.00004   2.12329
   A309       2.02997  -0.00001  -0.00001  -0.00005  -0.00006   2.02990
   A310       1.30345   0.00000   0.00003  -0.00006  -0.00003   1.30342
   A311       3.04047   0.00001   0.00003   0.00009   0.00012   3.04060
   A312       1.91189   0.00000   0.00000   0.00006   0.00006   1.91195
   A313       1.92794   0.00000  -0.00017   0.00006  -0.00010   1.92783
   A314       1.90286   0.00001  -0.00002   0.00000  -0.00002   1.90284
   A315       1.91255   0.00000   0.00005  -0.00006  -0.00001   1.91254
   A316       1.91204   0.00000   0.00003   0.00001   0.00003   1.91208
   A317       1.89641   0.00000   0.00012  -0.00007   0.00004   1.89645
   A318       1.79990   0.00000   0.00014  -0.00017  -0.00002   1.79988
   A319       1.91612   0.00000  -0.00001   0.00001   0.00000   1.91613
   A320       1.91450  -0.00001  -0.00008  -0.00002  -0.00010   1.91440
   A321       1.91952   0.00000   0.00000   0.00000   0.00000   1.91952
   A322       1.90748   0.00000   0.00002   0.00003   0.00004   1.90752
   A323       1.90991   0.00000   0.00003   0.00000   0.00003   1.90993
   A324       1.89612   0.00000   0.00005  -0.00001   0.00003   1.89615
   A325       2.93413  -0.00001  -0.00041  -0.00010  -0.00052   2.93362
   A326       3.39590   0.00000   0.00005  -0.00002   0.00003   3.39593
   A327       3.11100   0.00000   0.00001  -0.00001   0.00000   3.11100
   A328       3.23565   0.00000   0.00123  -0.00014   0.00109   3.23674
   A329       3.25839   0.00000   0.00036  -0.00012   0.00024   3.25864
   A330       3.25995   0.00000  -0.00048   0.00033  -0.00015   3.25980
   A331       3.70981   0.00000   0.00017  -0.00017   0.00000   3.70982
   A332       3.28941   0.00000   0.00012   0.00008   0.00020   3.28961
   A333       2.93576   0.00000  -0.00011  -0.00008  -0.00019   2.93557
   A334       2.87886   0.00000  -0.00013  -0.00013  -0.00025   2.87860
   A335       3.23588   0.00000   0.00022  -0.00007   0.00015   3.23604
   A336       3.08040   0.00000  -0.00016   0.00005  -0.00011   3.08029
   A337       3.10437   0.00000   0.00012  -0.00007   0.00006   3.10443
   A338       3.05516   0.00000   0.00001   0.00013   0.00014   3.05531
    D1        2.76059   0.00000   0.00004  -0.00004   0.00000   2.76059
    D2       -1.35717   0.00000  -0.00009  -0.00003  -0.00012  -1.35729
    D3        2.78640   0.00000  -0.00010  -0.00004  -0.00014   2.78626
    D4       -1.33136   0.00000  -0.00023  -0.00003  -0.00026  -1.33162
    D5        1.65767   0.00000   0.00021  -0.00002   0.00018   1.65786
    D6       -2.46008   0.00000   0.00008  -0.00002   0.00006  -2.46002
    D7        1.82772   0.00000  -0.00011   0.00001  -0.00010   1.82762
    D8       -2.29004   0.00000  -0.00024   0.00002  -0.00022  -2.29026
    D9        0.23266  -0.00001  -0.00047  -0.00011  -0.00058   0.23209
   D10        2.39809   0.00000  -0.00060  -0.00011  -0.00070   2.39739
   D11       -0.03507   0.00000  -0.00027  -0.00013  -0.00040  -0.03547
   D12        2.13036   0.00000  -0.00040  -0.00012  -0.00052   2.12984
   D13       -0.50301   0.00000  -0.00022  -0.00012  -0.00034  -0.50335
   D14        1.66242   0.00000  -0.00035  -0.00011  -0.00046   1.66196
   D15       -0.60729   0.00000  -0.00030  -0.00015  -0.00045  -0.60774
   D16        1.55813   0.00000  -0.00043  -0.00014  -0.00057   1.55756
   D17        0.16430   0.00000  -0.00016  -0.00017  -0.00034   0.16396
   D18        2.32972   0.00000  -0.00029  -0.00017  -0.00046   2.32927
   D19        0.10739   0.00000  -0.00018  -0.00022  -0.00040   0.10699
   D20        2.27282   0.00000  -0.00031  -0.00021  -0.00052   2.27230
   D21        2.36200   0.00000   0.00000   0.00001   0.00001   2.36201
   D22       -1.75576   0.00000  -0.00013   0.00002  -0.00011  -1.75587
   D23        2.12190   0.00000   0.00008   0.00000   0.00008   2.12197
   D24       -1.99586   0.00000  -0.00005   0.00000  -0.00005  -1.99591
   D25        1.67400   0.00000  -0.00001  -0.00003  -0.00004   1.67396
   D26       -2.44376   0.00000  -0.00013  -0.00003  -0.00016  -2.44392
   D27        1.36519   0.00000  -0.00006  -0.00005  -0.00011   1.36508
   D28       -2.75257   0.00000  -0.00019  -0.00005  -0.00023  -2.75280
   D29        2.34127   0.00000   0.00037  -0.00003   0.00034   2.34161
   D30       -1.77649   0.00000   0.00024  -0.00002   0.00022  -1.77627
   D31       -1.74983   0.00000  -0.00010  -0.00011  -0.00022  -1.75005
   D32        0.41560   0.00000  -0.00023  -0.00011  -0.00034   0.41526
   D33       -2.10503   0.00000   0.00000  -0.00008  -0.00008  -2.10511
   D34        0.06040   0.00000  -0.00013  -0.00007  -0.00020   0.06020
   D35       -2.47804   0.00000  -0.00013  -0.00013  -0.00026  -2.47830
   D36       -0.31261   0.00000  -0.00026  -0.00013  -0.00038  -0.31299
   D37       -2.77147   0.00000  -0.00006  -0.00009  -0.00015  -2.77161
   D38       -0.60604   0.00000  -0.00018  -0.00008  -0.00027  -0.60631
   D39       -2.13831   0.00000   0.00028   0.00003   0.00030  -2.13801
   D40        0.02711   0.00000   0.00015   0.00003   0.00018   0.02729
   D41       -2.38550   0.00000   0.00057   0.00004   0.00061  -2.38489
   D42       -0.22008   0.00000   0.00044   0.00005   0.00049  -0.21959
   D43        1.26376   0.00000   0.00008   0.00002   0.00009   1.26385
   D44       -1.97596   0.00000   0.00041   0.00009   0.00050  -1.97546
   D45        2.44728   0.00000   0.00019   0.00002   0.00021   2.44749
   D46       -0.79244   0.00000   0.00053   0.00009   0.00062  -0.79182
   D47        2.92363   0.00000  -0.00001   0.00005   0.00004   2.92367
   D48       -0.31609   0.00000   0.00033   0.00012   0.00045  -0.31564
   D49        2.86631   0.00000  -0.00083  -0.00046  -0.00129   2.86502
   D50       -0.37341   0.00000  -0.00049  -0.00039  -0.00088  -0.37429
   D51        1.95653   0.00000  -0.00079  -0.00029  -0.00108   1.95545
   D52       -1.28319   0.00000  -0.00045  -0.00022  -0.00067  -1.28386
   D53        1.02516   0.00000  -0.00028  -0.00010  -0.00038   1.02478
   D54       -2.21456   0.00000   0.00006  -0.00003   0.00003  -2.21453
   D55        0.94967   0.00000  -0.00028  -0.00010  -0.00038   0.94929
   D56       -2.29005   0.00000   0.00006  -0.00003   0.00003  -2.29002
   D57        1.98045   0.00000  -0.00033  -0.00023  -0.00056   1.97989
   D58       -1.25927   0.00000   0.00001  -0.00016  -0.00015  -1.25941
   D59        1.79466   0.00000  -0.00028  -0.00022  -0.00050   1.79416
   D60       -1.44506   0.00000   0.00006  -0.00015  -0.00009  -1.44515
   D61       -2.31920   0.00000   0.00010   0.00010   0.00020  -2.31901
   D62        0.72426   0.00000   0.00044   0.00017   0.00061   0.72487
   D63       -2.43910   0.00000   0.00021   0.00007   0.00029  -2.43881
   D64        0.60437   0.00000   0.00055   0.00014   0.00070   0.60506
   D65       -2.84026   0.00000   0.00022   0.00005   0.00027  -2.83999
   D66        0.20321   0.00001   0.00056   0.00012   0.00068   0.20389
   D67       -3.00782   0.00000   0.00032   0.00005   0.00037  -3.00745
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   D287      -2.60419   0.00000  -0.00010  -0.00019  -0.00029  -2.60448
   D288       1.29203   0.00000  -0.00017  -0.00007  -0.00025   1.29178
   D289      -2.92507   0.00000  -0.00005  -0.00018  -0.00023  -2.92530
   D290       1.19760   0.00000   0.00001  -0.00007  -0.00006   1.19754
   D291      -3.01951   0.00000   0.00013  -0.00017  -0.00004  -3.01955
   D292       2.00624   0.00000  -0.00025  -0.00008  -0.00033   2.00592
   D293      -2.21086   0.00000  -0.00012  -0.00018  -0.00031  -2.21117
   D294       1.99305   0.00000   0.00001  -0.00012  -0.00011   1.99294
   D295      -2.22405   0.00000   0.00013  -0.00022  -0.00009  -2.22414
   D296      -2.26568   0.00000  -0.00005  -0.00015  -0.00021  -2.26588
   D297      -0.19959   0.00000   0.00007  -0.00026  -0.00019  -0.19978
   D298      -2.25126   0.00000   0.00000  -0.00006  -0.00006  -2.25132
   D299      -0.18518   0.00000   0.00013  -0.00017  -0.00004  -0.18522
   D300      -1.86641   0.00000   0.00012   0.00000   0.00011  -1.86630
   D301       0.19967   0.00000   0.00024  -0.00011   0.00013   0.19980
   D302      -1.81367   0.00000   0.00039   0.00006   0.00045  -1.81322
   D303       0.25241   0.00000   0.00051  -0.00005   0.00046   0.25288
   D304      -2.60438   0.00000  -0.00003  -0.00003  -0.00006  -2.60444
   D305      -0.53830   0.00000   0.00009  -0.00013  -0.00004  -0.53834
   D306      -2.73329   0.00000   0.00003   0.00003   0.00006  -2.73323
   D307      -0.66721   0.00000   0.00015  -0.00008   0.00008  -0.66713
   D308       1.52776   0.00000   0.00019  -0.00014   0.00005   1.52781
   D309      -2.68935   0.00000   0.00031  -0.00024   0.00007  -2.68927
   D310       2.63004   0.00000   0.00012  -0.00010   0.00001   2.63006
   D311      -1.58706   0.00000   0.00024  -0.00021   0.00003  -1.58703
   D312       3.01999   0.00000   0.00024  -0.00005   0.00018   3.02017
   D313      -1.19711   0.00000   0.00036  -0.00016   0.00020  -1.19691
   D314      -0.54036   0.00000   0.00009   0.00006   0.00015  -0.54022
   D315       1.52572   0.00000   0.00021  -0.00005   0.00016   1.52588
   D316      -0.37072   0.00000  -0.00008   0.00000  -0.00009  -0.37080
   D317       1.69536   0.00000   0.00004  -0.00011  -0.00007   1.69530
   D318       0.05918   0.00000  -0.00011  -0.00002  -0.00013   0.05906
   D319       2.12527   0.00000   0.00002  -0.00013  -0.00011   2.12516
   D320       0.20205   0.00000  -0.00018  -0.00010  -0.00028   0.20178
   D321       2.26814   0.00000  -0.00005  -0.00020  -0.00026   2.26788
   D322      -0.60899   0.00000  -0.00024  -0.00005  -0.00029  -0.60928
   D323       1.45709   0.00000  -0.00011  -0.00015  -0.00027   1.45682
   D324      -0.65160   0.00000  -0.00047  -0.00002  -0.00049  -0.65210
   D325       1.41448   0.00000  -0.00035  -0.00013  -0.00047   1.41400
   D326       0.10700   0.00000  -0.00040  -0.00017  -0.00057   0.10643
   D327       2.27326   0.00000  -0.00042  -0.00025  -0.00067   2.27260
   D328       0.41304   0.00000  -0.00035  -0.00017  -0.00052   0.41252
   D329       2.57930   0.00000  -0.00037  -0.00024  -0.00061   2.57868
   D330       0.78783   0.00000  -0.00044  -0.00019  -0.00063   0.78720
   D331       2.95409   0.00000  -0.00045  -0.00027  -0.00072   2.95337
   D332       1.07004   0.00000  -0.00045  -0.00020  -0.00065   1.06939
   D333      -3.04689   0.00000  -0.00047  -0.00027  -0.00074  -3.04763
   D334       0.34630   0.00000  -0.00018  -0.00013  -0.00032   0.34598
   D335       2.51256   0.00000  -0.00020  -0.00021  -0.00041   2.51215
   D336       0.74518   0.00000  -0.00054  -0.00019  -0.00073   0.74445
   D337       2.91144   0.00000  -0.00056  -0.00026  -0.00082   2.91062
   D338      -2.31451   0.00000  -0.00008   0.00003  -0.00005  -2.31456
   D339      -0.14825   0.00000  -0.00009  -0.00005  -0.00014  -0.14839
   D340      -1.93957   0.00000  -0.00004   0.00000  -0.00005  -1.93961
   D341       0.22669   0.00000  -0.00006  -0.00008  -0.00014   0.22656
   D342      -1.86855   0.00000  -0.00006  -0.00012  -0.00018  -1.86873
   D343       0.29771   0.00000  -0.00008  -0.00019  -0.00027   0.29744
   D344      -1.55094   0.00000  -0.00008  -0.00013  -0.00022  -1.55116
   D345       0.61532   0.00000  -0.00010  -0.00021  -0.00031   0.61501
   D346      -1.59078   0.00000  -0.00001   0.00005   0.00004  -1.59073
   D347       0.57548   0.00000  -0.00002  -0.00002  -0.00005   0.57543
   D348      -1.28907   0.00000   0.00001   0.00003   0.00004  -1.28903
   D349       0.87719   0.00000  -0.00001  -0.00005  -0.00005   0.87714
   D350       1.91377   0.00000  -0.00030  -0.00021  -0.00051   1.91326
   D351      -2.20315   0.00000  -0.00032  -0.00028  -0.00060  -2.20375
   D352       2.36868   0.00000  -0.00032  -0.00025  -0.00057   2.36810
   D353      -1.74825   0.00000  -0.00034  -0.00033  -0.00067  -1.74892
   D354       2.69461  -0.00001  -0.00036  -0.00038  -0.00074   2.69387
   D355      -1.42232  -0.00001  -0.00038  -0.00046  -0.00083  -1.42315
   D356      -2.98781  -0.00001  -0.00051  -0.00027  -0.00079  -2.98859
   D357      -0.82154  -0.00001  -0.00053  -0.00035  -0.00088  -0.82242
   D358       2.65621   0.00000  -0.00039  -0.00017  -0.00056   2.65566
   D359      -1.46071   0.00000  -0.00041  -0.00024  -0.00065  -1.46136
   D360       1.65006   0.00000   0.00013   0.00006   0.00019   1.65026
   D361      -2.46686   0.00000   0.00011  -0.00002   0.00010  -2.46676
   D362       1.82492   0.00000   0.00013   0.00008   0.00021   1.82513
   D363      -2.29200   0.00000   0.00011   0.00001   0.00012  -2.29188
   D364       2.75698   0.00000   0.00008  -0.00001   0.00007   2.75705
   D365      -1.35995   0.00000   0.00007  -0.00009  -0.00002  -1.35997
   D366       2.76486   0.00000   0.00015  -0.00009   0.00006   2.76492
   D367      -1.35207   0.00000   0.00013  -0.00016  -0.00003  -1.35210
   D368       0.09095   0.00000  -0.00051  -0.00037  -0.00088   0.09008
   D369      -2.31708   0.00000  -0.00202   0.00049  -0.00153  -2.31861
   D370       0.49111   0.00000  -0.00047  -0.00038  -0.00085   0.49026
   D371      -1.91692   0.00000  -0.00199   0.00049  -0.00150  -1.91842
   D372       0.70405   0.00000  -0.00062  -0.00041  -0.00103   0.70302
   D373      -1.70398   0.00000  -0.00214   0.00045  -0.00168  -1.70566
   D374       0.97149   0.00000  -0.00061  -0.00043  -0.00104   0.97046
   D375      -1.43654   0.00000  -0.00213   0.00044  -0.00169  -1.43823
   D376       0.73555   0.00000  -0.00035  -0.00034  -0.00069   0.73487
   D377      -1.67248   0.00000  -0.00187   0.00053  -0.00134  -1.67382
   D378       1.07803   0.00000  -0.00043  -0.00035  -0.00078   1.07726
   D379      -1.33000   0.00000  -0.00195   0.00052  -0.00143  -1.33143
   D380      -2.66953   0.00000  -0.00017  -0.00028  -0.00045  -2.66997
   D381       1.20563   0.00000  -0.00169   0.00059  -0.00110   1.20453
   D382      -2.15682   0.00000  -0.00018  -0.00023  -0.00041  -2.15723
   D383       1.71834   0.00000  -0.00170   0.00064  -0.00106   1.71727
   D384      -1.91618   0.00000  -0.00015  -0.00029  -0.00044  -1.91662
   D385       1.95898   0.00000  -0.00167   0.00058  -0.00109   1.95789
   D386      -1.58901   0.00000  -0.00017  -0.00029  -0.00046  -1.58947
   D387       2.28614   0.00000  -0.00169   0.00058  -0.00111   2.28503
   D388      -1.72435   0.00000  -0.00024  -0.00012  -0.00036  -1.72471
   D389       2.15080   0.00000  -0.00176   0.00075  -0.00101   2.14979
   D390      -1.17126  -0.00001  -0.00023  -0.00020  -0.00044  -1.17170
   D391       2.70390  -0.00001  -0.00175   0.00066  -0.00109   2.70281
   D392       1.83066   0.00000  -0.00032  -0.00031  -0.00063   1.83004
   D393      -0.57737   0.00000  -0.00184   0.00056  -0.00128  -0.57865
   D394       2.14236   0.00000  -0.00022  -0.00031  -0.00053   2.14183
   D395      -0.26567   0.00000  -0.00174   0.00056  -0.00119  -0.26685
   D396       2.11607   0.00000  -0.00007  -0.00033  -0.00040   2.11567
   D397      -0.29196   0.00000  -0.00159   0.00054  -0.00105  -0.29301
   D398       2.35222   0.00000   0.00015  -0.00030  -0.00015   2.35206
   D399      -0.05581   0.00000  -0.00137   0.00056  -0.00081  -0.05662
   D400       2.53216   0.00000  -0.00026  -0.00030  -0.00056   2.53160
   D401       0.12413   0.00000  -0.00178   0.00057  -0.00121   0.12291
   D402      -1.53256   0.00000   0.00002  -0.00010  -0.00008  -1.53264
   D403       2.34259   0.00000  -0.00150   0.00076  -0.00073   2.34186
   D404      -2.62560   0.00000   0.00003  -0.00013  -0.00010  -2.62570
   D405       1.24955   0.00000  -0.00149   0.00074  -0.00075   1.24880
   D406      -2.97064   0.00000   0.00009  -0.00021  -0.00012  -2.97077
   D407       0.90451   0.00000  -0.00143   0.00065  -0.00078   0.90373
   D408       1.92594   0.00000  -0.00077  -0.00017  -0.00095   1.92500
   D409       2.43498   0.00000  -0.00074  -0.00021  -0.00095   2.43404
   D410       2.66114   0.00000  -0.00072  -0.00017  -0.00089   2.66025
   D411       2.88810   0.00000  -0.00060  -0.00016  -0.00076   2.88734
   D412       2.89108   0.00000  -0.00080  -0.00029  -0.00109   2.88999
   D413      -2.89755   0.00000  -0.00058  -0.00026  -0.00085  -2.89840
   D414      -0.70784   0.00000  -0.00023   0.00001  -0.00022  -0.70806
   D415      -0.33248   0.00000  -0.00020   0.00004  -0.00016  -0.33264
   D416      -0.00507   0.00000  -0.00018  -0.00002  -0.00020  -0.00527
   D417       0.29953   0.00000  -0.00013   0.00000  -0.00013   0.29940
   D418      -0.22266   0.00000  -0.00018   0.00015  -0.00003  -0.22269
   D419       0.06929   0.00000  -0.00009   0.00021   0.00012   0.06942
   D420      -2.52314   0.00000  -0.00044  -0.00011  -0.00055  -2.52369
   D421      -2.14253   0.00000  -0.00046  -0.00011  -0.00056  -2.14310
   D422      -1.87964   0.00000  -0.00035  -0.00011  -0.00047  -1.88011
   D423      -1.56303   0.00000  -0.00031  -0.00008  -0.00040  -1.56343
   D424      -1.94772   0.00000  -0.00060  -0.00007  -0.00068  -1.94840
   D425       1.29468   0.00000  -0.00012   0.00008  -0.00004   1.29464
   D426       2.46818   0.00000  -0.00007   0.00012   0.00005   2.46823
   D427       2.94565   0.00000  -0.00007   0.00015   0.00008   2.94573
   D428      -3.05060   0.00000   0.00004  -0.00007  -0.00004  -3.05064
   D429       0.02576   0.00000   0.00013   0.00006   0.00018   0.02594
   D430       0.06109   0.00000  -0.00010  -0.00009  -0.00019   0.06090
   D431       3.13745   0.00000  -0.00001   0.00004   0.00003   3.13749
   D432      -0.12026   0.00000   0.00016   0.00008   0.00024  -0.12002
   D433       1.97837   0.00000   0.00020   0.00007   0.00028   1.97865
   D434      -2.21744   0.00001   0.00014   0.00009   0.00023  -2.21722
   D435       3.08327   0.00000   0.00007  -0.00005   0.00002   3.08329
   D436      -1.10129   0.00000   0.00011  -0.00005   0.00006  -1.10123
   D437       0.98608   0.00000   0.00004  -0.00003   0.00001   0.98609
   D438      -2.33929   0.00000   0.00138  -0.00020   0.00118  -2.33812
   D439      -0.24838   0.00000   0.00155  -0.00020   0.00135  -0.24703
   D440       1.85970   0.00000   0.00151  -0.00022   0.00129   1.86099
   D441       0.74019   0.00000   0.00146  -0.00007   0.00139   0.74158
   D442       2.83110   0.00000   0.00164  -0.00008   0.00156   2.83266
   D443      -1.34400   0.00000   0.00159  -0.00009   0.00150  -1.34250
   D444       0.00408   0.00001  -0.00011   0.00003  -0.00008   0.00400
   D445       3.11176   0.00000  -0.00040   0.00013  -0.00028   3.11148
   D446      -3.11490   0.00001  -0.00015  -0.00001  -0.00016  -3.11506
   D447      -0.00722   0.00000  -0.00045   0.00009  -0.00036  -0.00758
   D448       2.43048   0.00000  -0.00055   0.00012  -0.00043   2.43005
   D449      -1.76939   0.00000  -0.00054   0.00013  -0.00041  -1.76980
   D450       0.33857   0.00000  -0.00057   0.00012  -0.00045   0.33812
   D451      -0.67881   0.00000  -0.00027   0.00002  -0.00024  -0.67905
   D452       1.40450   0.00000  -0.00026   0.00004  -0.00022   1.40428
   D453      -2.77072   0.00000  -0.00028   0.00002  -0.00026  -2.77098
   D454       2.04965   0.00000  -0.00019  -0.00023  -0.00042   2.04923
   D455      -2.14991   0.00000  -0.00019  -0.00020  -0.00039  -2.15030
   D456      -0.05668   0.00000  -0.00023  -0.00021  -0.00044  -0.05712
   D457      -1.12424   0.00000  -0.00047  -0.00014  -0.00061  -1.12485
   D458       0.95939   0.00000  -0.00048  -0.00010  -0.00058   0.95881
   D459       3.05262   0.00000  -0.00052  -0.00012  -0.00063   3.05198
   D460      -3.08652   0.00000  -0.00004   0.00002  -0.00003  -3.08655
   D461      -0.02263   0.00000  -0.00010   0.00000  -0.00011  -0.02274
   D462       0.06901   0.00000  -0.00011   0.00013   0.00001   0.06902
   D463       3.13290   0.00001  -0.00017   0.00010  -0.00007   3.13283
   D464       1.91710   0.00000  -0.00078  -0.00013  -0.00092   1.91618
   D465      -2.28375   0.00000  -0.00067  -0.00014  -0.00081  -2.28456
   D466      -0.19098   0.00001  -0.00079  -0.00012  -0.00091  -0.19189
   D467      -1.14987   0.00000  -0.00072  -0.00011  -0.00083  -1.15070
   D468       0.93247   0.00000  -0.00061  -0.00012  -0.00073   0.93174
   D469       3.02523   0.00000  -0.00072  -0.00010  -0.00083   3.02441
   D470      -1.63120   0.00000   0.00057  -0.00026   0.00031  -1.63089
   D471       0.47346  -0.00001   0.00052  -0.00025   0.00027   0.47372
   D472       2.56392   0.00000   0.00053  -0.00024   0.00029   2.56420
   D473       1.43620   0.00000   0.00050  -0.00028   0.00023   1.43643
   D474      -2.74233   0.00000   0.00045  -0.00027   0.00018  -2.74215
   D475      -0.65187   0.00000   0.00046  -0.00026   0.00020  -0.65167
   D476       0.01473   0.00001   0.00009   0.00010   0.00018   0.01491
   D477      -3.02162   0.00001   0.00018   0.00023   0.00041  -3.02122
   D478       3.12845   0.00000   0.00008   0.00005   0.00013   3.12858
   D479       0.09210   0.00000   0.00017   0.00018   0.00035   0.09245
   D480      -0.27586   0.00000   0.00022   0.00012   0.00035  -0.27552
   D481       1.83248  -0.00001   0.00018   0.00013   0.00030   1.83279
   D482      -2.36801   0.00000   0.00021   0.00008   0.00028  -2.36773
   D483       2.76581   0.00000   0.00013   0.00000   0.00014   2.76595
   D484      -1.40902  -0.00001   0.00009   0.00001   0.00009  -1.40893
   D485       0.67367   0.00000   0.00012  -0.00005   0.00007   0.67374
   D486      -0.11475   0.00000  -0.00028   0.00005  -0.00023  -0.11498
   D487       1.98156   0.00000  -0.00032   0.00007  -0.00024   1.98132
   D488      -2.21720   0.00000  -0.00031   0.00004  -0.00027  -2.21746
   D489       3.12662   0.00000  -0.00019   0.00017  -0.00002   3.12660
   D490      -1.06026   0.00000  -0.00023   0.00020  -0.00003  -1.06029
   D491       1.02417   0.00000  -0.00022   0.00017  -0.00005   1.02412
         Item               Value     Threshold  Converged?
 Maximum Force            0.000025     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.003198     0.001800     NO 
 RMS     Displacement     0.000452     0.001200     YES
 Predicted change in Energy=-1.173740D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:55:15 2016, MaxMem=  2952790016 cpu:         7.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.785422   -0.575066    1.630085
      2          6           0       -2.038709    1.111373   -1.409405
      3          8           0       -2.556980    0.123945   -1.958864
      4          7           0       -0.752367    1.188479   -0.971033
      5          1           0       -2.614116    2.034865   -1.197577
      6          6           0       -0.262910    2.354260   -0.234435
      7          1           0       -1.035060    3.136193   -0.226223
      8          1           0       -0.020450    2.069070    0.802207
      9          1           0        0.647869    2.745723   -0.715793
     10          6           0        0.189496    0.079547   -1.140509
     11          1           0        0.729203   -0.087415   -0.195157
     12          1           0       -0.362995   -0.829546   -1.411340
     13          1           0        0.923739    0.316585   -1.928004
     14          6           0       -2.083184   -3.937319    2.695717
     15          8           0       -2.232465   -3.737869    3.913300
     16          7           0       -2.990786   -3.634360    1.728108
     17          1           0       -1.153231   -4.375102    2.281264
     18          6           0       -4.279537   -3.014490    2.048892
     19          1           0       -4.503831   -2.246676    1.292015
     20          1           0       -5.085824   -3.766855    2.038518
     21          1           0       -4.222996   -2.550052    3.041494
     22          6           0       -2.711427   -3.872598    0.311630
     23          1           0       -3.424156   -4.605021   -0.101743
     24          1           0       -2.815278   -2.928872   -0.249391
     25          1           0       -1.686844   -4.252491    0.195061
     26          6           0        1.610965    0.358529    2.572515
     27          8           0        1.464650    1.386883    3.254413
     28          7           0        1.205804   -0.890612    2.930437
     29          1           0        2.089362    0.378339    1.573451
     30          6           0        1.481070   -2.058197    2.091577
     31          1           0        2.231368   -2.708645    2.571874
     32          1           0        0.556188   -2.641069    1.951001
     33          1           0        1.853043   -1.727236    1.112057
     34          6           0        0.558435   -1.136658    4.221481
     35          1           0        1.300136   -1.438434    4.980704
     36          1           0        0.050404   -0.222065    4.552607
     37          1           0       -0.176592   -1.945532    4.103645
     38          6           0       -4.605802    0.973683    2.914125
     39          8           0       -4.861859    1.524622    1.829476
     40          7           0       -3.547922    1.269013    3.718321
     41          1           0       -5.226690    0.147862    3.315232
     42          6           0       -2.584794    2.318792    3.372809
     43          1           0       -2.691333    2.580268    2.312081
     44          1           0       -2.752492    3.214706    3.992790
     45          1           0       -1.565670    1.946593    3.560029
     46          6           0       -3.238892    0.470505    4.905019
     47          1           0       -4.033650   -0.269257    5.072813
     48          1           0       -2.277896   -0.052985    4.761041
     49          1           0       -3.154801    1.124717    5.787579
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.485215   0.000000
     3  O    3.736907   1.243192   0.000000
     4  N    3.308037   1.361173   2.316393   0.000000
     5  H    3.936260   1.108512   2.057775   2.057620   0.000000
     6  C    3.791494   2.465519   3.634656   1.463280   2.560825
     7  H    4.216914   2.550907   3.793670   2.104340   2.156356
     8  H    3.285112   3.143529   4.223862   2.110810   3.275272
     9  H    4.738321   3.220233   4.323194   2.109695   3.373126
    10  C    3.464825   2.470196   2.866149   1.464773   3.418591
    11  H    3.145258   3.251588   3.735550   2.103554   4.084935
    12  H    3.367243   2.564213   2.454078   2.101882   3.649395
    13  H    4.560109   3.110744   3.486182   2.117858   4.000302
    14  C    3.539630   6.507172   6.195439   6.441268   7.148888
    15  O    3.926353   7.203046   7.035711   7.093399   7.719532
    16  N    3.289649   5.768225   5.282689   5.962857   6.390745
    17  H    3.906914   6.671321   6.339607   6.456901   7.438023
    18  C    3.513802   5.831284   5.373926   6.263053   6.229701
    19  H    3.209099   4.964976   4.469707   5.567330   5.301007
    20  H    4.609446   6.705982   6.124740   7.238204   7.088131
    21  H    3.440118   6.163412   5.910115   6.490167   6.448231
    22  C    3.670085   5.315494   4.599060   5.576526   6.097974
    23  H    4.682437   6.025496   5.154028   6.438848   6.778281
    24  H    3.183306   4.274608   3.508376   4.661432   5.057490
    25  H    3.948730   5.609738   4.954767   5.642445   6.506160
    26  C    3.646260   5.453676   6.161184   4.339457   5.905506
    27  O    4.129244   5.839574   6.704236   4.775869   6.072596
    28  N    3.276876   5.776593   6.252450   4.835134   6.339613
    29  H    3.990756   5.145457   5.842128   3.899506   5.704855
    30  C    3.616990   5.889982   6.121574   4.990864   6.658996
    31  H    4.644753   6.976867   7.174917   6.053300   7.758115
    32  H    3.139187   5.666272   5.711756   4.991597   6.467513
    33  H    3.851529   5.437022   5.683813   4.430443   6.280391
    34  C    3.538981   6.595884   7.035027   5.838379   7.034901
    35  H    4.636025   7.647411   8.091723   6.821775   8.096686
    36  H    3.469294   6.456627   7.022637   5.757141   6.727407
    37  H    3.253461   6.573117   6.833959   5.992153   7.063146
    38  C    3.464380   5.030093   5.354041   5.476272   4.690311
    39  O    3.730001   4.316399   4.650364   4.984353   3.804701
    40  N    3.296629   5.347537   5.875677   5.460005   5.062073
    41  H    3.899317   5.780464   5.911346   6.282875   5.545428
    42  C    3.471382   4.962422   5.765836   4.848129   4.579290
    43  H    3.352898   4.053767   4.928747   4.059003   3.552623
    44  H    4.569461   5.840993   6.709189   5.722380   5.324573
    45  H    3.183040   5.061288   5.896010   4.665482   4.872561
    46  C    3.732423   6.459341   6.906374   6.420769   6.330817
    47  H    4.123157   6.921349   7.195807   7.029928   6.829483
    48  H    3.212162   6.283895   6.728025   6.060128   6.322759
    49  H    4.695660   7.283022   7.833666   7.173186   7.064922
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098955   0.000000
     8  H    1.102155   1.796066   0.000000
     9  H    1.102029   1.795660   1.791321   0.000000
    10  C    2.489973   3.417389   2.788624   2.738427   0.000000
    11  H    2.635832   3.674947   2.491413   2.881726   1.101295
    12  H    3.395843   4.193240   3.663209   3.779971   1.097746
    13  H    2.903176   3.831859   3.378867   2.728785   1.102474
    14  C    7.175176   7.724692   6.626987   7.984992   6.001409
    15  O    7.628689   8.113086   6.949277   8.471233   6.780822
    16  N    6.867056   7.313321   6.496869   7.740666   5.668885
    17  H    7.239180   7.919660   6.708066   7.932998   5.775409
    18  C    7.083103   7.316672   6.748083   8.068635   6.302190
    19  H    6.440813   6.581238   6.242297   7.449520   5.775448
    20  H    8.117565   8.318042   7.825887   9.103578   7.261545
    21  H    7.103962   7.292071   6.634161   8.117128   6.623747
    22  C    6.713210   7.226524   6.541058   7.492839   5.113072
    23  H    7.644781   8.102448   7.546246   8.425667   6.006887
    24  H    5.867392   6.320975   5.822056   6.664228   4.344346
    25  H    6.772091   7.429331   6.565640   7.433406   4.906215
    26  C    3.920882   4.748663   2.953211   4.176029   3.985593
    27  O    4.011526   4.628549   2.946900   4.275057   4.759253
    28  N    4.764738   5.585797   3.846138   5.179692   4.306587
    29  H    3.564533   4.539449   2.811528   3.594863   3.326311
    30  C    5.284087   6.219710   4.577266   5.626117   4.084665
    31  H    6.303158   7.256792   5.570365   6.562495   5.071986
    32  H    5.513652   6.375667   4.882381   6.011465   4.134446
    33  H    4.790502   5.812493   4.244752   4.980044   3.332552
    34  C    5.719817   6.370130   4.722631   6.281525   5.510555
    35  H    6.635158   7.313853   5.613054   7.098077   6.403674
    36  H    5.445308   5.940820   4.395432   6.076246   5.702796
    37  H    6.108568   6.731170   5.200087   6.776030   5.633482
    38  C    5.538965   5.223834   5.165804   6.627027   6.343061
    39  O    5.108655   4.633299   4.979051   6.190847   6.035333
    40  N    5.252937   5.035898   4.646168   6.280661   6.244306
    41  H    6.489024   6.248343   6.091902   7.583435   7.013799
    42  C    4.290059   4.002855   3.639536   5.229631   5.751604
    43  H    3.526055   3.081442   3.110412   4.510618   5.145208
    44  H    4.980744   4.555854   4.353890   5.826933   6.695915
    45  H    4.032534   4.004048   3.163588   4.880678   5.353647
    46  C    6.230488   6.188086   5.454067   7.202572   6.960970
    47  H    7.019131   6.976275   6.309645   8.032103   7.520771
    48  H    5.899981   6.048826   5.027081   6.810916   6.397959
    49  H    6.792603   6.686191   5.964050   7.705959   7.763705
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795204   0.000000
    13  H    1.789922   1.798956   0.000000
    14  C    5.575700   5.430029   6.965349   0.000000
    15  O    6.243133   6.348626   7.779528   1.242809   0.000000
    16  N    5.487995   4.962701   6.655872   1.360805   2.315346
    17  H    5.297215   5.179842   6.636541   1.108259   2.057754
    18  C    6.220209   5.664493   7.347506   2.468595   2.861782
    19  H    5.853096   5.144210   6.811559   3.269279   3.775433
    20  H    7.234786   6.544801   8.277840   3.078444   3.414280
    21  H    6.408180   6.139013   7.707295   2.573492   2.476523
    22  C    5.140270   4.212353   5.981609   2.466322   3.635874
    23  H    6.137416   5.033881   6.816276   3.173296   4.276990
    24  H    4.543145   3.430886   5.227904   3.197903   4.280437
    25  H    4.830881   4.006201   5.674417   2.551411   3.793130
    26  C    2.938771   4.602080   4.552880   5.667117   5.774957
    27  O    3.822822   5.479243   5.319358   6.422335   6.353414
    28  N    3.262148   4.616913   5.014114   4.489427   4.571059
    29  H    2.279239   4.047471   3.690891   6.106924   6.410636
    30  C    3.111019   4.144947   4.701834   4.074309   4.464338
    31  H    4.096804   5.111529   5.577707   4.487799   4.773315
    32  H    3.340221   3.928339   4.891778   3.033340   3.581924
    33  H    2.379252   3.476235   3.779257   4.783966   5.346119
    34  C    4.542771   5.715945   6.329418   4.141233   3.827584
    35  H    5.379661   6.632871   7.138068   4.786695   4.348106
    36  H    4.797933   6.009043   6.561340   4.669406   4.240411
    37  H    4.769986   5.629852   6.535189   3.095896   2.734103
    38  C    6.265448   6.321605   7.379283   5.525327   5.369339
    39  O    6.160988   6.023684   7.003653   6.189039   6.240981
    40  N    5.953907   6.392271   7.265250   5.504277   5.180474
    41  H    6.917431   6.852105   8.083797   5.191737   4.941859
    42  C    5.431647   6.143005   6.664627   6.312605   6.090929
    43  H    5.010274   5.559843   6.014261   6.557130   6.534012
    44  H    6.369074   7.160328   7.547819   7.299441   6.972450
    45  H    4.848201   5.819613   6.242803   5.969529   5.734329
    46  C    6.486050   7.060970   8.002586   5.064147   4.439236
    47  H    7.104178   7.472072   8.598276   4.786395   4.076764
    48  H    5.797217   6.509084   7.424983   4.403581   3.781416
    49  H    7.235184   7.964783   8.764576   6.027618   5.292294
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057009   0.000000
    18  C    1.465613   3.417463   0.000000
    19  H    2.098846   4.090884   1.101231   0.000000
    20  H    2.122050   3.986751   1.102842   1.790790   0.000000
    21  H    2.102153   3.651330   1.097342   1.797661   1.797511
    22  C    1.463287   2.561238   2.492669   2.611033   2.937871
    23  H    2.116210   3.299801   2.808326   2.944494   2.836261
    24  H    2.106898   3.355324   2.726443   2.385903   3.330484
    25  H    2.105370   2.156854   3.419268   3.627949   3.897081
    26  C    6.150796   5.489341   6.808043   6.768862   7.883586
    27  O    6.884286   6.403186   7.336283   7.257859   8.423071
    28  N    5.156075   4.257715   5.947852   6.092886   6.975161
    29  H    6.475614   5.797466   7.231888   7.102119   8.299531
    30  C    4.755406   3.513342   5.839598   6.041015   6.785752
    31  H    5.370268   3.783787   6.539032   6.871271   7.412529
    32  H    3.690167   2.457246   4.851110   5.117969   5.753900
    33  H    5.242072   4.173239   6.335868   6.380599   7.291520
    34  C    5.005237   4.145089   5.626044   5.953189   6.598555
    35  H    5.814936   4.682949   6.497094   6.924285   7.406652
    36  H    5.373117   4.884205   5.728404   5.955801   6.728077
    37  H    4.051543   3.190252   4.711564   5.169231   5.628723
    38  C    5.024836   6.397676   4.093971   3.607263   4.844565
    39  O    5.488742   6.983178   4.581569   3.826190   5.300338
    40  N    5.321129   6.297278   4.655175   4.377304   5.526920
    41  H    4.671556   6.174088   3.535702   3.217102   4.120055
    42  C    6.189498   6.931743   5.750548   5.371769   6.713463
    43  H    6.249184   7.123474   5.821768   5.255955   6.789285
    44  H    7.217706   7.943057   6.701753   6.339406   7.616155
    45  H    6.044331   6.462908   5.853286   5.600017   6.881132
    46  C    5.196560   5.891857   4.624456   4.694352   5.439045
    47  H    4.857832   5.739993   4.091560   4.292515   4.748390
    48  H    4.746909   5.108313   4.486963   4.669177   5.393462
    49  H    6.257397   6.822649   5.689978   5.778951   6.458467
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389119   0.000000
    23  H    3.839398   1.102408   0.000000
    24  H    3.599320   1.102792   1.789415   0.000000
    25  H    4.175230   1.098943   1.797393   1.795235   0.000000
    26  C    6.535662   6.457329   7.559161   6.193689   6.147303
    27  O    6.920557   7.332239   8.430131   7.015708   7.148013
    28  N    5.677846   5.576296   6.665393   5.516784   5.210750
    29  H    7.111715   6.535306   7.618335   6.189983   6.132232
    30  C    5.803501   4.902784   5.946277   4.969589   4.295041
    31  H    6.473369   5.558301   6.536775   5.785903   4.835813
    32  H    4.902862   3.857656   4.890195   4.036253   3.272797
    33  H    6.427908   5.106628   6.132193   5.009061   4.443939
    34  C    5.123684   5.784834   6.825016   5.880703   5.564329
    35  H    5.958290   6.619520   7.627416   6.819966   6.304233
    36  H    5.095580   6.240191   7.276389   6.212739   6.184705
    37  H    4.226936   4.951600   5.941787   5.184452   4.783299
    38  C    3.546755   5.817910   6.450866   5.333268   6.574688
    39  O    4.298849   6.004848   6.585523   5.323888   6.791691
    40  N    3.936887   6.224262   7.008029   5.822520   6.809110
    41  H    2.891553   5.613580   6.124928   5.290344   6.452061
    42  C    5.147730   6.907978   7.792061   6.380551   7.354329
    43  H    5.403538   6.755863   7.615244   6.076769   7.223390
    44  H    6.024931   7.986395   8.852370   7.466163   8.444962
    45  H    5.248817   6.762237   7.732153   6.312160   7.054526
    46  C    3.683063   6.343499   7.131826   6.188954   6.848303
    47  H    3.060087   6.115652   6.778374   6.073206   6.720574
    48  H    3.602166   5.880022   6.758817   5.802063   6.231643
    49  H    4.710197   7.426692   8.221104   7.279551   7.895918
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242540   0.000000
    28  N    1.361108   2.314940   0.000000
    29  H    1.107875   2.057440   2.057261   0.000000
    30  C    2.467536   3.636073   1.463799   2.564211   0.000000
    31  H    3.129289   4.222210   2.117921   3.247535   1.103048
    32  H    3.239817   4.329963   2.108410   3.407343   1.102228
    33  H    2.557724   3.799773   2.103654   2.168450   1.098799
    34  C    2.462213   2.850387   1.465067   3.413359   2.497394
    35  H    3.020772   3.315050   2.124289   3.941182   2.960388
    36  H    2.587122   2.504817   2.100795   3.659673   3.387455
    37  H    3.293693   3.810493   2.097687   4.115435   2.609397
    38  C    6.256461   6.094007   6.103329   6.853982   6.849736
    39  O    6.618861   6.486458   6.622839   7.049751   7.289583
    40  N    5.362458   5.035373   5.280402   6.096945   6.245588
    41  H    6.881099   6.805358   6.527133   7.524064   7.166454
    42  C    4.699733   4.156979   4.986442   5.371292   6.109896
    43  H    4.849095   4.425422   5.255193   5.314989   6.242830
    44  H    5.405061   4.655150   5.800891   6.110788   7.024326
    45  H    3.686209   3.096694   4.015867   4.445804   5.241880
    46  C    5.382770   5.068289   5.050439   6.284753   6.048787
    47  H    6.205423   6.023344   5.694535   7.082103   6.519218
    48  H    4.481319   4.283666   4.023542   5.423994   5.027597
    49  H    5.799672   5.274939   5.589247   6.768840   6.729239
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787814   0.000000
    33  H    1.799266   1.794645   0.000000
    34  C    2.826844   2.723663   3.419548   0.000000
    35  H    2.878036   3.343485   3.918615   1.103453   0.000000
    36  H    3.855254   3.588280   4.165625   1.097370   1.795732
    37  H    2.954139   2.377943   3.621694   1.099285   1.790840
    38  C    7.773260   6.374965   7.229045   5.729927   6.705905
    39  O    8.293707   6.835421   7.495277   6.494897   7.528620
    40  N    7.108888   5.937666   6.703770   4.785665   5.694519
    41  H    8.020900   6.563607   7.648045   5.994911   6.920231
    42  C    7.007998   6.040490   6.416833   4.747660   5.638684
    43  H    7.230012   6.159475   6.375422   5.293614   6.261257
    44  H    7.870448   7.028966   7.343866   5.472560   6.249119
    45  H    6.088118   5.304516   5.583653   3.802075   4.657206
    46  C    6.743463   5.728066   6.718960   4.179700   4.924688
    47  H    7.173267   6.036374   7.243372   4.750200   5.461203
    48  H    5.672604   4.756736   5.760456   3.083869   3.843180
    49  H    7.351614   6.532374   7.421094   4.621104   5.202620
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795392   0.000000
    38  C    5.078847   5.436421   0.000000
    39  O    5.881894   6.258237   1.243206   0.000000
    40  N    3.983377   4.674145   1.361272   2.315060   0.000000
    41  H    5.432832   5.523349   1.108318   2.058164   2.058573
    42  C    3.846056   4.951567   2.470664   2.863146   1.465957
    43  H    4.515545   5.478731   2.570751   2.461398   2.104910
    44  H    4.470013   5.768501   3.101687   3.462043   2.119850
    45  H    2.880969   4.168176   3.256709   3.746697   2.100832
    46  C    3.379839   3.982099   2.466838   3.633751   1.463340
    47  H    4.117322   4.315794   2.555815   3.797784   2.106384
    48  H    2.343718   2.903340   3.143929   4.214235   2.109006
    49  H    3.689487   4.596933   3.222570   4.329036   2.111207
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419922   0.000000
    43  H    3.653894   1.097662   0.000000
    44  H    3.998284   1.102344   1.797507   0.000000
    45  H    4.086371   1.100999   1.796117   1.789955   0.000000
    46  C    2.565709   2.488308   3.387365   2.932471   2.605284
    47  H    2.164814   3.418654   4.188466   3.865982   3.645468
    48  H    3.290302   2.765267   3.619717   3.390170   2.438853
    49  H    3.370381   2.753514   3.796382   2.784094   2.857061
                   46         47         48         49
    46  C    0.000000
    47  H    1.098656   0.000000
    48  H    1.103759   1.796287   0.000000
    49  H    1.101806   1.796227   1.791570   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2164832      0.1953703      0.1844015
 Leave Link  202 at Mon Nov 14 05:55:15 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.3840276179 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1853711188 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.1986564991 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4053
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.54D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     239
 GePol: Fraction of low-weight points (<1% of avg)   =       5.90%
 GePol: Cavity surface area                          =    468.285 Ang**2
 GePol: Cavity volume                                =    458.526 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040331136 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.1946233854 Hartrees.
 Leave Link  301 at Mon Nov 14 05:55:15 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11988 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:55:16 2016, MaxMem=  2952790016 cpu:        14.1
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:55:17 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000225   -0.000374   -0.000011
         Rot=    1.000000    0.000014   -0.000002    0.000003 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:55:17 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49280427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 9.77D-15 for   3700.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.07D-15 for   1805   1008.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.77D-15 for   3700.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.02D-11 for   1799   1796.
 E= -1013.45147688538    
 DIIS: error= 3.16D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45147688538     IErMin= 1 ErrMin= 3.16D-05
 ErrMax= 3.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-06 BMatP= 1.25D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.12D-06 MaxDP=1.72D-04              OVMax= 2.46D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.12D-06    CP:  1.00D+00
 E= -1013.45147889424     Delta-E=       -0.000002008854 Rises=F Damp=F
 DIIS: error= 8.81D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147889424     IErMin= 2 ErrMin= 8.81D-06
 ErrMax= 8.81D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.46D-08 BMatP= 1.25D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.436D-01 0.956D+00
 Coeff:      0.436D-01 0.956D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.95D-06 MaxDP=1.05D-04 DE=-2.01D-06 OVMax= 2.05D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.89D-06    CP:  1.00D+00  9.24D-01
 E= -1013.45147869052     Delta-E=        0.000000203718 Rises=F Damp=F
 DIIS: error= 2.55D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147889424     IErMin= 2 ErrMin= 8.81D-06
 ErrMax= 2.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-07 BMatP= 4.46D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.390D-02 0.723D+00 0.273D+00
 Coeff:      0.390D-02 0.723D+00 0.273D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.40D-06 MaxDP=8.33D-05 DE= 2.04D-07 OVMax= 1.66D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.67D-07    CP:  1.00D+00  9.59D-01  3.12D-01
 E= -1013.45147893078     Delta-E=       -0.000000240263 Rises=F Damp=F
 DIIS: error= 2.38D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147893078     IErMin= 4 ErrMin= 2.38D-06
 ErrMax= 2.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-09 BMatP= 4.46D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.397D-04 0.253D+00 0.131D+00 0.616D+00
 Coeff:     -0.397D-04 0.253D+00 0.131D+00 0.616D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.98D-07 MaxDP=7.97D-06 DE=-2.40D-07 OVMax= 1.48D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.96D-08    CP:  1.00D+00  9.65D-01  3.18D-01  6.41D-01
 E= -1013.45147893296     Delta-E=       -0.000000002181 Rises=F Damp=F
 DIIS: error= 7.20D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147893296     IErMin= 5 ErrMin= 7.20D-07
 ErrMax= 7.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-10 BMatP= 2.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.682D-05 0.135D+00 0.720D-01 0.371D+00 0.422D+00
 Coeff:     -0.682D-05 0.135D+00 0.720D-01 0.371D+00 0.422D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.97D-08 MaxDP=1.98D-06 DE=-2.18D-09 OVMax= 2.36D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.91D-08    CP:  1.00D+00  9.65D-01  3.18D-01  6.48D-01  7.32D-01
 E= -1013.45147893315     Delta-E=       -0.000000000191 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147893315     IErMin= 6 ErrMin= 1.36D-07
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.66D-12 BMatP= 1.88D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.184D-04 0.410D-01 0.223D-01 0.122D+00 0.211D+00 0.603D+00
 Coeff:     -0.184D-04 0.410D-01 0.223D-01 0.122D+00 0.211D+00 0.603D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.90D-09 MaxDP=4.40D-07 DE=-1.91D-10 OVMax= 6.36D-07

 Error on total polarization charges =  0.04307
 SCF Done:  E(RB97D) =  -1013.45147893     A.U. after    6 cycles
            NFock=  6  Conv=0.89D-08     -V/T= 2.0213
 KE= 9.923518516722D+02 PE=-6.033913050562D+03 EE= 2.176915096572D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:56:37 2016, MaxMem=  2952790016 cpu:       898.7
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11988 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 05:56:46 2016, MaxMem=  2952790016 cpu:        97.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:56:46 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:57:23 2016, MaxMem=  2952790016 cpu:       441.9
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21798435D+00-2.48868263D+00 3.31762006D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000020393   -0.000042962   -0.000002394
      2        6          -0.000018553    0.000015709    0.000015226
      3        8          -0.000000691    0.000035176   -0.000004221
      4        7          -0.000001079    0.000016146    0.000010495
      5        1           0.000011888    0.000030513    0.000024447
      6        6           0.000037704    0.000013466    0.000014465
      7        1           0.000007864    0.000015668    0.000035873
      8        1          -0.000005558    0.000004412    0.000020515
      9        1          -0.000002171    0.000020911    0.000016328
     10        6           0.000003088    0.000014974   -0.000001460
     11        1          -0.000006834    0.000025416    0.000006488
     12        1          -0.000002760    0.000023152    0.000003027
     13        1           0.000001271    0.000019575    0.000004670
     14        6          -0.000036190    0.000004952   -0.000030416
     15        8          -0.000006187   -0.000028975   -0.000021036
     16        7          -0.000009635    0.000008605   -0.000014655
     17        1          -0.000005115    0.000007888   -0.000035647
     18        6          -0.000016379    0.000022497   -0.000047477
     19        1           0.000003627    0.000007008   -0.000024224
     20        1          -0.000010636    0.000009933   -0.000023113
     21        1          -0.000000038    0.000000220   -0.000012439
     22        6          -0.000010694    0.000057606   -0.000089595
     23        1          -0.000017654    0.000008751   -0.000003115
     24        1          -0.000020686   -0.000004869    0.000007836
     25        1          -0.000015569    0.000009154   -0.000024096
     26        6           0.000002202   -0.000003842   -0.000002730
     27        8           0.000002035   -0.000025138    0.000025072
     28        7           0.000015624   -0.000011047    0.000010910
     29        1          -0.000007567   -0.000002870    0.000002214
     30        6          -0.000002390    0.000026832   -0.000004555
     31        1          -0.000013939   -0.000023772   -0.000015747
     32        1          -0.000013826   -0.000001741   -0.000011549
     33        1           0.000003706   -0.000008450   -0.000008989
     34        6          -0.000001236   -0.000017534    0.000007364
     35        1          -0.000000728   -0.000033368   -0.000010128
     36        1           0.000007841   -0.000029895    0.000009313
     37        1          -0.000013470   -0.000016217   -0.000019656
     38        6           0.000019808   -0.000004879    0.000056112
     39        8           0.000020145    0.000019262    0.000009276
     40        7          -0.000007841   -0.000008780   -0.000017493
     41        1          -0.000009053   -0.000002337   -0.000012369
     42        6           0.000004205   -0.000024531    0.000035852
     43        1           0.000004725   -0.000002955    0.000025094
     44        1           0.000010296   -0.000004575    0.000023398
     45        1           0.000040811   -0.000020294    0.000031595
     46        6           0.000034336   -0.000043873    0.000019979
     47        1          -0.000000418   -0.000008535   -0.000001288
     48        1           0.000000955   -0.000020514    0.000012015
     49        1           0.000004372   -0.000025874    0.000010825
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000089595 RMS     0.000020204
 Leave Link  716 at Mon Nov 14 05:57:23 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000024060 RMS     0.000003226
 Search for a local minimum.
 Step number 133 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .32255D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  112  113  114  115  116
                                                    117  118  119  120  121
                                                    122  123  124  125  126
                                                    127  128  129  130  131
                                                    132  133
 DE= -3.15D-07 DEPred=-1.17D-07 R= 2.69D+00
 Trust test= 2.69D+00 RLast= 1.26D-02 DXMaxT set to 2.83D-01
 ITU=  0  0  0  0  0  1  1  1  1  1  1  1  1 -1  1 -1  0 -1  1  1
 ITU=  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1  1
 ITU= -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0 -1
 ITU=  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1  1
     Eigenvalues ---    0.00002   0.00021   0.00070   0.00072   0.00087
     Eigenvalues ---    0.00100   0.00114   0.00143   0.00176   0.00190
     Eigenvalues ---    0.00216   0.00238   0.00257   0.00331   0.00389
     Eigenvalues ---    0.00480   0.00491   0.00623   0.00692   0.00726
     Eigenvalues ---    0.00805   0.00854   0.00880   0.00942   0.00992
     Eigenvalues ---    0.01066   0.01181   0.01234   0.01316   0.01359
     Eigenvalues ---    0.01454   0.01478   0.01604   0.01700   0.01756
     Eigenvalues ---    0.01766   0.01794   0.01886   0.01928   0.01983
     Eigenvalues ---    0.02040   0.02155   0.02249   0.02293   0.02366
     Eigenvalues ---    0.02443   0.02544   0.02613   0.02839   0.03167
     Eigenvalues ---    0.03229   0.03375   0.04069   0.04478   0.04896
     Eigenvalues ---    0.05360   0.05758   0.05937   0.06120   0.06274
     Eigenvalues ---    0.06488   0.06619   0.06792   0.07009   0.07144
     Eigenvalues ---    0.07247   0.07361   0.07620   0.07886   0.08102
     Eigenvalues ---    0.08290   0.08501   0.08540   0.08833   0.08958
     Eigenvalues ---    0.09116   0.09291   0.09404   0.09498   0.09706
     Eigenvalues ---    0.09859   0.10129   0.10463   0.10601   0.10744
     Eigenvalues ---    0.10906   0.11108   0.11201   0.11449   0.12925
     Eigenvalues ---    0.13004   0.14011   0.14352   0.14730   0.15194
     Eigenvalues ---    0.15247   0.15428   0.20854   0.22253   0.23132
     Eigenvalues ---    0.23439   0.24640   0.24811   0.25301   0.26067
     Eigenvalues ---    0.27028   0.27483   0.28002   0.28677   0.29352
     Eigenvalues ---    0.29699   0.30577   0.32783   0.32806   0.32859
     Eigenvalues ---    0.32951   0.33250   0.33303   0.33364   0.33374
     Eigenvalues ---    0.33389   0.33424   0.33457   0.33513   0.33731
     Eigenvalues ---    0.33817   0.33825   0.33839   0.33957   0.33994
     Eigenvalues ---    0.34072   0.34248   0.34284   0.35854   0.37227
     Eigenvalues ---    0.39558   0.40858   0.86160   0.86336   0.86951
     Eigenvalues ---    0.89945
 Eigenvalue     1 is   1.98D-05 Eigenvector:
                         D399      D397      D407      D395      D401
   1                   -0.22898  -0.22660  -0.22342  -0.22281  -0.22143
                         D379      D393      D405      D381      D377
   1                   -0.22122  -0.22108  -0.22102  -0.22018  -0.21991
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   133  132  131  130  129
 RFO step:  Lambda=-4.15457437D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  6.33D-07 SmlDif=  1.00D-05
 RMS Error=  0.2249166604D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.28958   -1.01252   -0.84055    0.71369   -0.15020
 Iteration  1 RMS(Cart)=  0.00068574 RMS(Int)=  0.00000082
 Iteration  2 RMS(Cart)=  0.00000059 RMS(Int)=  0.00000041
 ITry= 1 IFail=0 DXMaxC= 5.27D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58610   0.00000  -0.00084  -0.00002  -0.00086   6.58524
    R2        6.25128   0.00000   0.00049  -0.00014   0.00035   6.25164
    R3        7.16489   0.00001   0.00070  -0.00048   0.00023   7.16511
    R4        6.20796   0.00000   0.00097  -0.00086   0.00010   6.20807
    R5        6.54757   0.00000   0.00140  -0.00014   0.00126   6.54883
    R6        5.94368   0.00000  -0.00021  -0.00016  -0.00037   5.94331
    R7        6.68893   0.00000  -0.00056  -0.00014  -0.00070   6.68823
    R8        6.21654   0.00000  -0.00031  -0.00002  -0.00033   6.21621
    R9        6.64012   0.00000  -0.00066  -0.00013  -0.00079   6.63933
   R10        6.06432   0.00000  -0.00096   0.00020  -0.00076   6.06356
   R11        6.93546   0.00000  -0.00017   0.00035   0.00018   6.93564
   R12        6.01558   0.00000   0.00044   0.00066   0.00110   6.01668
   R13        6.89043   0.00000   0.00007  -0.00049  -0.00041   6.89002
   R14        6.19240   0.00000  -0.00046   0.00000  -0.00046   6.19194
   R15        6.83512  -0.00001  -0.00078  -0.00019  -0.00097   6.83415
   R16        5.93220  -0.00001  -0.00001  -0.00007  -0.00007   5.93213
   R17        6.68771   0.00000  -0.00044   0.00032  -0.00011   6.68759
   R18        6.54673  -0.00001  -0.00094  -0.00016  -0.00111   6.54562
   R19        6.22973  -0.00001   0.00007  -0.00016  -0.00009   6.22964
   R20        6.55996  -0.00001   0.00041  -0.00028   0.00013   6.56010
   R21        6.01507   0.00000   0.00086  -0.00041   0.00045   6.01552
   R22        7.05326   0.00000   0.00068   0.00034   0.00102   7.05428
   R23        6.07011   0.00000   0.00106   0.00091   0.00196   6.07207
   R24        2.34929   0.00000   0.00000   0.00000  -0.00001   2.34929
   R25        2.57224   0.00001   0.00003   0.00000   0.00003   2.57227
   R26        2.09478   0.00000  -0.00001   0.00000  -0.00001   2.09477
   R27        2.76520   0.00001   0.00003  -0.00001   0.00003   2.76523
   R28        2.76802   0.00000  -0.00005  -0.00002  -0.00007   2.76795
   R29        2.07672   0.00000   0.00000   0.00000   0.00001   2.07673
   R30        2.08277   0.00000   0.00000   0.00003   0.00002   2.08280
   R31        2.08253   0.00000  -0.00001   0.00000  -0.00001   2.08252
   R32        2.08115   0.00000   0.00000   0.00001   0.00001   2.08115
   R33        2.07444   0.00000  -0.00002   0.00000  -0.00002   2.07442
   R34        2.08337   0.00000   0.00001   0.00000   0.00001   2.08338
   R35        2.34857   0.00000   0.00000   0.00001   0.00001   2.34858
   R36        2.57155   0.00000   0.00002   0.00001   0.00003   2.57158
   R37        2.09431   0.00000   0.00001   0.00000   0.00001   2.09432
   R38        2.76961   0.00000   0.00012  -0.00001   0.00011   2.76972
   R39        2.76521   0.00000   0.00007   0.00002   0.00009   2.76530
   R40        2.08103  -0.00001  -0.00001   0.00000  -0.00001   2.08102
   R41        2.08407   0.00000  -0.00001   0.00000  -0.00001   2.08406
   R42        2.07368   0.00000  -0.00001   0.00000   0.00000   2.07367
   R43        2.08325   0.00000   0.00000   0.00000   0.00000   2.08325
   R44        2.08397  -0.00002  -0.00003  -0.00001  -0.00004   2.08393
   R45        2.07670   0.00000   0.00000   0.00000   0.00000   2.07670
   R46        2.34806   0.00000   0.00000   0.00000   0.00000   2.34806
   R47        2.57212   0.00000   0.00002  -0.00001   0.00001   2.57213
   R48        2.09358   0.00000  -0.00001   0.00000  -0.00001   2.09357
   R49        2.76618   0.00000  -0.00002   0.00000  -0.00002   2.76616
   R50        2.76858   0.00000  -0.00003   0.00000  -0.00003   2.76855
   R51        2.08446   0.00000   0.00001   0.00000   0.00001   2.08447
   R52        2.08291   0.00001   0.00002   0.00000   0.00002   2.08293
   R53        2.07643   0.00000   0.00002   0.00000   0.00003   2.07645
   R54        2.08522   0.00000   0.00001   0.00000   0.00001   2.08523
   R55        2.07373   0.00000  -0.00001  -0.00001  -0.00001   2.07371
   R56        2.07735   0.00000   0.00002   0.00000   0.00002   2.07737
   R57        2.34932   0.00001   0.00001   0.00002   0.00004   2.34936
   R58        2.57243  -0.00001  -0.00001   0.00000  -0.00002   2.57242
   R59        2.09442   0.00000   0.00001   0.00000   0.00001   2.09442
   R60        2.77026   0.00000  -0.00003   0.00004   0.00001   2.77027
   R61        2.76531   0.00001   0.00009  -0.00002   0.00007   2.76539
   R62        2.07428   0.00000  -0.00001  -0.00001  -0.00001   2.07427
   R63        2.08313   0.00000   0.00001   0.00000   0.00001   2.08314
   R64        2.08059   0.00002  -0.00004   0.00004   0.00000   2.08059
   R65        2.07616  -0.00001  -0.00001   0.00000  -0.00001   2.07614
   R66        2.08580  -0.00001   0.00000  -0.00001  -0.00001   2.08579
   R67        2.08211   0.00000  -0.00001   0.00001   0.00000   2.08211
    A1        0.68639   0.00000  -0.00002   0.00003   0.00002   0.68641
    A2        0.96404   0.00000  -0.00003   0.00003   0.00001   0.96405
    A3        0.72671   0.00000   0.00001   0.00000   0.00001   0.72672
    A4        1.02041   0.00000   0.00000   0.00001   0.00001   1.02042
    A5        2.36896   0.00000  -0.00040  -0.00015  -0.00055   2.36841
    A6        2.03684   0.00000  -0.00057  -0.00014  -0.00071   2.03613
    A7        1.96957  -0.00001  -0.00068  -0.00012  -0.00081   1.96877
    A8        1.66957  -0.00001  -0.00070  -0.00015  -0.00085   1.66872
    A9        1.67411   0.00000  -0.00049  -0.00013  -0.00063   1.67348
   A10        1.38917   0.00000  -0.00053  -0.00012  -0.00065   1.38852
   A11        1.74082   0.00000   0.00038   0.00008   0.00046   1.74128
   A12        2.04768   0.00000   0.00046   0.00011   0.00057   2.04825
   A13        1.95554   0.00000   0.00050   0.00009   0.00059   1.95613
   A14        2.05085   0.00000   0.00070   0.00015   0.00085   2.05169
   A15        2.43954   0.00000   0.00040   0.00009   0.00050   2.44003
   A16        1.61857   0.00000  -0.00059   0.00001  -0.00058   1.61799
   A17        1.81615   0.00000  -0.00019   0.00008  -0.00011   1.81604
   A18        1.58850   0.00000   0.00026   0.00013   0.00039   1.58889
   A19        1.72182   0.00000   0.00061   0.00016   0.00077   1.72260
   A20        2.21600   0.00000  -0.00019   0.00005  -0.00014   2.21586
   A21        2.43453   0.00000   0.00001   0.00006   0.00007   2.43460
   A22        0.65174   0.00000  -0.00009   0.00006  -0.00004   0.65171
   A23        0.66222   0.00000  -0.00002   0.00002   0.00000   0.66222
   A24        2.44868   0.00000   0.00006  -0.00005   0.00001   2.44869
   A25        2.25704   0.00000  -0.00026  -0.00006  -0.00033   2.25671
   A26        2.32607   0.00000  -0.00051  -0.00008  -0.00059   2.32548
   A27        2.04811   0.00000  -0.00057  -0.00013  -0.00070   2.04741
   A28        1.84971   0.00000  -0.00026  -0.00004  -0.00030   1.84942
   A29        1.60178   0.00000  -0.00030  -0.00003  -0.00033   1.60145
   A30        1.34472   0.00000   0.00033   0.00008   0.00041   1.34513
   A31        1.64917   0.00000   0.00042   0.00010   0.00052   1.64970
   A32        1.60770   0.00000   0.00048   0.00009   0.00057   1.60827
   A33        1.77042   0.00000   0.00071   0.00014   0.00085   1.77126
   A34        2.04153   0.00000   0.00037   0.00009   0.00046   2.04199
   A35        1.88320   0.00000  -0.00067  -0.00002  -0.00069   1.88251
   A36        1.94639   0.00000  -0.00026   0.00005  -0.00022   1.94618
   A37        1.59304   0.00000   0.00004   0.00007   0.00011   1.59315
   A38        1.60366   0.00000   0.00043   0.00010   0.00053   1.60418
   A39        2.29454   0.00000  -0.00005   0.00005   0.00000   2.29453
   A40        2.38569   0.00000   0.00024   0.00004   0.00028   2.38598
   A41        0.69495   0.00000  -0.00014   0.00004  -0.00010   0.69485
   A42        0.75800   0.00000   0.00006   0.00004   0.00010   0.75810
   A43        2.72809   0.00000   0.00046   0.00007   0.00054   2.72863
   A44        2.64728   0.00000  -0.00025  -0.00001  -0.00026   2.64701
   A45        2.64669   0.00000  -0.00078  -0.00012  -0.00090   2.64579
   A46        2.33339   0.00000  -0.00082  -0.00014  -0.00097   2.33243
   A47        2.23805   0.00000  -0.00025   0.00001  -0.00024   2.23781
   A48        1.99418   0.00000  -0.00035   0.00000  -0.00034   1.99384
   A49        1.10989   0.00000   0.00041   0.00003   0.00044   1.11033
   A50        1.47363   0.00000   0.00044   0.00006   0.00050   1.47413
   A51        1.58770   0.00000   0.00051   0.00006   0.00057   1.58826
   A52        1.83300   0.00000   0.00069   0.00011   0.00080   1.83381
   A53        1.78927   0.00000   0.00035   0.00005   0.00040   1.78967
   A54        1.73533   0.00000  -0.00073  -0.00007  -0.00080   1.73453
   A55        1.66495   0.00000  -0.00030   0.00000  -0.00030   1.66465
   A56        1.26115   0.00000  -0.00007   0.00000  -0.00006   1.26109
   A57        1.22215   0.00000   0.00041   0.00005   0.00045   1.22260
   A58        1.95135   0.00000   0.00003   0.00002   0.00004   1.95139
   A59        1.99909   0.00000   0.00030   0.00001   0.00031   1.99940
   A60        0.85022   0.00000  -0.00025   0.00010  -0.00015   0.85007
   A61        0.79459   0.00000  -0.00002   0.00011   0.00009   0.79468
   A62        2.65861   0.00000   0.00070   0.00021   0.00091   2.65952
   A63        2.83343   0.00000   0.00012   0.00016   0.00027   2.83370
   A64        2.58267   0.00000  -0.00086  -0.00020  -0.00105   2.58162
   A65        2.44683   0.00000  -0.00014   0.00013  -0.00002   2.44681
   A66        2.23976   0.00000  -0.00030   0.00008  -0.00022   2.23954
   A67        0.87448   0.00000   0.00035   0.00005   0.00040   0.87489
   A68        1.25253   0.00000   0.00036   0.00008   0.00044   1.25297
   A69        1.44748   0.00000   0.00038   0.00010   0.00048   1.44795
   A70        1.72614   0.00000   0.00052   0.00014   0.00065   1.72680
   A71        1.52721   0.00000   0.00030   0.00006   0.00036   1.52757
   A72        1.74261   0.00000  -0.00060  -0.00015  -0.00075   1.74186
   A73        1.56743   0.00000  -0.00021  -0.00009  -0.00030   1.56713
   A74        1.13653   0.00000  -0.00012  -0.00011  -0.00022   1.13631
   A75        1.02168   0.00000   0.00036  -0.00005   0.00031   1.02199
   A76        1.77712   0.00000   0.00018  -0.00004   0.00014   1.77726
   A77        1.76929   0.00000   0.00042  -0.00004   0.00038   1.76966
   A78        2.05799   0.00000   0.00037  -0.00001   0.00036   2.05835
   A79        1.99147   0.00000   0.00019   0.00001   0.00021   1.99168
   A80        2.25371   0.00000   0.00006   0.00002   0.00007   2.25378
   A81        2.09095   0.00000  -0.00007  -0.00005  -0.00012   2.09082
   A82        1.59710   0.00000   0.00012   0.00004   0.00016   1.59727
   A83        1.42223   0.00000   0.00011   0.00007   0.00018   1.42242
   A84        1.18896   0.00000   0.00019   0.00011   0.00029   1.18925
   A85        1.38493   0.00000   0.00037   0.00012   0.00049   1.38543
   A86        1.22891   0.00000   0.00049   0.00009   0.00058   1.22949
   A87        1.34992   0.00000   0.00076   0.00014   0.00090   1.35082
   A88        1.81111   0.00000   0.00039   0.00010   0.00049   1.81160
   A89        2.31305   0.00000  -0.00072  -0.00001  -0.00073   2.31232
   A90        2.35404   0.00000  -0.00041   0.00004  -0.00037   2.35366
   A91        1.95540   0.00000  -0.00023   0.00003  -0.00019   1.95521
   A92        1.87110   0.00000   0.00009   0.00004   0.00013   1.87123
   A93        2.62734   0.00000  -0.00006   0.00005  -0.00001   2.62733
   A94        2.56093   0.00000   0.00028   0.00002   0.00030   2.56123
   A95        1.97060   0.00000   0.00043   0.00004   0.00047   1.97107
   A96        2.04252   0.00000   0.00025   0.00007   0.00032   2.04284
   A97        2.41027   0.00000   0.00016   0.00008   0.00023   2.41050
   A98        2.34183   0.00000  -0.00006  -0.00001  -0.00006   2.34176
   A99        1.70374   0.00000   0.00011   0.00010   0.00021   1.70395
   A100       1.60147   0.00001   0.00007   0.00013   0.00020   1.60167
   A101       0.88354   0.00000   0.00032   0.00011   0.00043   0.88398
   A102       1.06490   0.00000   0.00047   0.00011   0.00058   1.06548
   A103       0.94665   0.00000   0.00050   0.00007   0.00058   0.94722
   A104       1.12075   0.00000   0.00070   0.00011   0.00081   1.12156
   A105       1.49074   0.00000   0.00049   0.00009   0.00058   1.49132
   A106       2.49254   0.00000  -0.00068  -0.00003  -0.00070   2.49183
   A107       2.35790   0.00000  -0.00023   0.00001  -0.00022   2.35768
   A108       1.92430   0.00000  -0.00019  -0.00001  -0.00020   1.92410
   A109       1.74552   0.00000   0.00012  -0.00002   0.00010   1.74562
   A110       2.46083   0.00000   0.00029   0.00004   0.00033   2.46116
   A111       2.29564   0.00000   0.00050   0.00000   0.00051   2.29615
   A112       0.71507   0.00000   0.00007   0.00002   0.00009   0.71517
   A113       1.00707   0.00000   0.00011   0.00001   0.00012   1.00720
   A114       0.69737   0.00000   0.00006  -0.00001   0.00004   0.69741
   A115       0.98623   0.00000   0.00008  -0.00002   0.00006   0.98630
   A116       1.81703   0.00000   0.00045   0.00018   0.00063   1.81766
   A117       1.43624   0.00000   0.00047   0.00014   0.00061   1.43685
   A118       1.21115   0.00000   0.00032   0.00011   0.00043   1.21158
   A119       0.93579   0.00000   0.00011   0.00006   0.00016   0.93596
   A120       1.24985   0.00000   0.00056   0.00015   0.00071   1.25056
   A121       1.81788   0.00000   0.00020  -0.00002   0.00018   1.81806
   A122       1.87096   0.00000   0.00005  -0.00003   0.00002   1.87098
   A123       2.24126   0.00000  -0.00009  -0.00002  -0.00011   2.24115
   A124       2.18436   0.00000  -0.00029  -0.00002  -0.00031   2.18405
   A125       1.53997   0.00000   0.00000  -0.00001  -0.00001   1.53996
   A126       1.41825   0.00000  -0.00002   0.00004   0.00002   1.41827
   A127       0.65726   0.00000   0.00010  -0.00002   0.00008   0.65734
   A128       0.66228   0.00000  -0.00001  -0.00003  -0.00004   0.66224
   A129       2.17939   0.00000   0.00050   0.00023   0.00072   2.18011
   A130       1.80605   0.00000   0.00053   0.00019   0.00072   1.80678
   A131       1.51654   0.00000   0.00042   0.00019   0.00060   1.51714
   A132       1.22199   0.00000   0.00031   0.00016   0.00047   1.22246
   A133       1.64414   0.00000   0.00060   0.00016   0.00075   1.64489
   A134       1.67740   0.00000   0.00012  -0.00007   0.00005   1.67745
   A135       1.88120   0.00000   0.00002  -0.00008  -0.00006   1.88114
   A136       2.31301   0.00000  -0.00003  -0.00006  -0.00008   2.31293
   A137       2.40979   0.00000  -0.00024  -0.00005  -0.00029   2.40950
   A138       1.66261   0.00000  -0.00007  -0.00006  -0.00013   1.66248
   A139       1.63678   0.00000  -0.00007   0.00001  -0.00006   1.63671
   A140       0.70742   0.00000   0.00008  -0.00002   0.00005   0.70747
   A141       0.83308  -0.00001  -0.00003  -0.00005  -0.00009   0.83299
   A142       2.51174   0.00000   0.00047   0.00014   0.00062   2.51235
   A143       2.13386   0.00000   0.00048   0.00012   0.00060   2.13446
   A144       1.91893   0.00000   0.00042   0.00016   0.00058   1.91952
   A145       1.63121   0.00000   0.00028   0.00013   0.00042   1.63163
   A146       1.84695   0.00000   0.00045   0.00007   0.00052   1.84748
   A147       1.25384   0.00000   0.00004  -0.00008  -0.00004   1.25380
   A148       1.50411   0.00000  -0.00007  -0.00009  -0.00016   1.50394
   A149       1.93420   0.00000  -0.00007  -0.00007  -0.00014   1.93406
   A150       2.12554   0.00000  -0.00025  -0.00006  -0.00030   2.12524
   A151       1.38319   0.00000  -0.00019  -0.00009  -0.00028   1.38290
   A152       1.45840   0.00000  -0.00020  -0.00002  -0.00022   1.45818
   A153       0.76757   0.00000   0.00013  -0.00008   0.00005   0.76763
   A154       0.76496  -0.00001  -0.00001  -0.00013  -0.00014   0.76482
   A155       2.82289   0.00000   0.00054   0.00017   0.00072   2.82361
   A156       2.44168   0.00000   0.00055   0.00014   0.00070   2.44237
   A157       2.17106   0.00000   0.00054   0.00017   0.00071   2.17177
   A158       1.87530   0.00000   0.00045   0.00016   0.00061   1.87591
   A159       2.15977   0.00000   0.00044   0.00009   0.00052   2.16029
   A160       1.13987   0.00000  -0.00011  -0.00004  -0.00014   1.13972
   A161       1.47588   0.00000  -0.00016  -0.00004  -0.00020   1.47568
   A162       1.86718   0.00000  -0.00010  -0.00001  -0.00011   1.86707
   A163       2.13533   0.00001  -0.00023   0.00001  -0.00022   2.13511
   A164       1.47915   0.00000  -0.00029  -0.00004  -0.00033   1.47882
   A165       1.62830   0.00000  -0.00027   0.00002  -0.00025   1.62805
   A166       2.16268   0.00001   0.00045   0.00031   0.00076   2.16344
   A167       1.86122   0.00001   0.00057   0.00028   0.00085   1.86207
   A168       1.47593   0.00001   0.00048   0.00027   0.00075   1.47668
   A169       1.19567   0.00000   0.00051   0.00028   0.00078   1.19645
   A170       1.86250   0.00000   0.00067   0.00022   0.00089   1.86339
   A171       1.90648   0.00000   0.00004  -0.00012  -0.00008   1.90639
   A172       2.20839   0.00000   0.00000  -0.00012  -0.00012   2.20827
   A173       2.62856   0.00000   0.00002  -0.00009  -0.00007   2.62849
   A174       2.05856   0.00000  -0.00008  -0.00010  -0.00017   2.05839
   A175       2.04599   0.00000  -0.00004  -0.00001  -0.00006   2.04593
   A176       2.26956   0.00001   0.00050   0.00035   0.00085   2.27041
   A177       2.04700   0.00000   0.00068   0.00033   0.00101   2.04801
   A178       1.63514   0.00001   0.00062   0.00032   0.00093   1.63608
   A179       1.38477   0.00000   0.00070   0.00033   0.00104   1.38580
   A180       2.12852   0.00000   0.00077   0.00025   0.00102   2.12954
   A181       1.86086   0.00000  -0.00019  -0.00016  -0.00035   1.86051
   A182       2.23274   0.00000  -0.00019  -0.00016  -0.00035   2.23239
   A183       2.56498   0.00000  -0.00008  -0.00011  -0.00019   2.56478
   A184       2.21330   0.00000  -0.00025  -0.00015  -0.00040   2.21290
   A185       2.27322   0.00000  -0.00017  -0.00006  -0.00022   2.27300
   A186       0.69321   0.00000   0.00002   0.00004   0.00006   0.69327
   A187       0.98517   0.00000   0.00007   0.00004   0.00011   0.98528
   A188       0.69892   0.00000   0.00001   0.00002   0.00003   0.69895
   A189       2.15084   0.00000  -0.00027  -0.00018  -0.00045   2.15039
   A190       1.76303   0.00000  -0.00022  -0.00018  -0.00039   1.76264
   A191       1.44173   0.00000  -0.00044  -0.00023  -0.00067   1.44106
   A192       1.13309  -0.00001  -0.00034  -0.00024  -0.00058   1.13252
   A193       1.63506   0.00000   0.00011  -0.00010   0.00001   1.63507
   A194       1.41948   0.00000   0.00021  -0.00012   0.00009   1.41957
   A195       0.66835   0.00000   0.00003  -0.00001   0.00002   0.66837
   A196       2.26414   0.00000  -0.00020  -0.00017  -0.00037   2.26376
   A197       1.86558   0.00000  -0.00030  -0.00019  -0.00049   1.86509
   A198       1.66218  -0.00001  -0.00060  -0.00023  -0.00083   1.66135
   A199       1.34145  -0.00001  -0.00059  -0.00025  -0.00084   1.34061
   A200       1.60506   0.00000  -0.00002  -0.00013  -0.00015   1.60492
   A201       1.33749   0.00000   0.00004  -0.00015  -0.00011   1.33738
   A202       0.71268   0.00000   0.00008  -0.00001   0.00007   0.71275
   A203       2.62852   0.00000  -0.00006  -0.00014  -0.00020   2.62831
   A204       2.25413   0.00000  -0.00026  -0.00018  -0.00044   2.25369
   A205       2.07800  -0.00001  -0.00054  -0.00022  -0.00076   2.07724
   A206       1.75701  -0.00001  -0.00052  -0.00024  -0.00076   1.75625
   A207       1.93328  -0.00001  -0.00005  -0.00012  -0.00017   1.93311
   A208       1.65162   0.00000  -0.00003  -0.00014  -0.00017   1.65145
   A209       0.83211   0.00000  -0.00005  -0.00006  -0.00011   0.83200
   A210       2.61315   0.00000  -0.00010  -0.00015  -0.00025   2.61290
   A211       2.34927   0.00000  -0.00044  -0.00024  -0.00068   2.34859
   A212       2.30378   0.00000  -0.00069  -0.00027  -0.00095   2.30283
   A213       1.99095  -0.00001  -0.00069  -0.00028  -0.00097   1.98998
   A214       1.96616   0.00000  -0.00033  -0.00019  -0.00052   1.96564
   A215       1.69278   0.00000  -0.00034  -0.00020  -0.00054   1.69224
   A216       1.91636   0.00000  -0.00015  -0.00014  -0.00029   1.91607
   A217       1.54981   0.00000  -0.00035  -0.00017  -0.00052   1.54930
   A218       1.48789   0.00000  -0.00071  -0.00022  -0.00092   1.48697
   A219       1.19825  -0.00001  -0.00080  -0.00023  -0.00104   1.19722
   A220       1.22374   0.00000  -0.00011  -0.00011  -0.00022   1.22353
   A221       0.94419   0.00000  -0.00007  -0.00013  -0.00020   0.94399
   A222       0.72844   0.00000   0.00003   0.00003   0.00006   0.72850
   A223       1.02080   0.00000  -0.00001   0.00005   0.00005   1.02085
   A224       0.69591   0.00000   0.00001  -0.00002   0.00000   0.69591
   A225       0.97792   0.00000   0.00001   0.00000   0.00001   0.97793
   A226       0.65947   0.00000  -0.00007   0.00005  -0.00002   0.65945
   A227       0.65947   0.00000  -0.00007  -0.00003  -0.00010   0.65936
   A228       0.70178   0.00000  -0.00007  -0.00001  -0.00008   0.70170
   A229       0.84980   0.00000  -0.00015  -0.00006  -0.00021   0.84959
   A230       0.75679   0.00000  -0.00012   0.00002  -0.00010   0.75669
   A231       0.78248   0.00000  -0.00022  -0.00006  -0.00027   0.78220
   A232       1.60222   0.00001  -0.00031   0.00008  -0.00023   1.60199
   A233       1.84854   0.00000  -0.00032   0.00000  -0.00032   1.84822
   A234       2.19112   0.00000   0.00002   0.00002   0.00004   2.19117
   A235       2.12911   0.00000   0.00001   0.00000   0.00001   2.12912
   A236       1.96255   0.00000  -0.00004  -0.00002  -0.00005   1.96250
   A237       2.12158   0.00000  -0.00003   0.00001  -0.00003   2.12155
   A238       2.12647   0.00000   0.00019  -0.00002   0.00017   2.12664
   A239       2.03343   0.00000  -0.00017   0.00001  -0.00016   2.03327
   A240       1.83787   0.00000  -0.00035   0.00019  -0.00016   1.83770
   A241       2.53416   0.00001   0.00035  -0.00019   0.00016   2.53432
   A242       1.91304   0.00000  -0.00002   0.00001  -0.00001   1.91304
   A243       1.91867   0.00000  -0.00008   0.00000  -0.00007   1.91860
   A244       1.91725   0.00000  -0.00003   0.00002  -0.00001   1.91724
   A245       1.90885   0.00000   0.00004  -0.00002   0.00002   1.90887
   A246       1.90837   0.00000   0.00002  -0.00002   0.00000   1.90838
   A247       1.89751   0.00001   0.00007   0.00000   0.00007   1.89759
   A248       1.32219  -0.00001   0.00135   0.00002   0.00136   1.32355
   A249       1.90771  -0.00001   0.00007   0.00001   0.00008   1.90779
   A250       1.90910   0.00000   0.00006   0.00002   0.00007   1.90917
   A251       1.92635   0.00000  -0.00011   0.00001  -0.00011   1.92624
   A252       1.91015   0.00000   0.00012  -0.00003   0.00009   1.91024
   A253       1.89586   0.00000  -0.00010   0.00000  -0.00010   1.89576
   A254       1.91455   0.00000  -0.00003  -0.00001  -0.00004   1.91451
   A255       1.72401   0.00001  -0.00022  -0.00003  -0.00025   1.72375
   A256       1.76405  -0.00001   0.00027  -0.00007   0.00020   1.76425
   A257       2.19049   0.00000   0.00001   0.00001   0.00001   2.19050
   A258       2.13006   0.00000   0.00000  -0.00002  -0.00002   2.13004
   A259       1.96242   0.00000  -0.00001   0.00001   0.00000   1.96242
   A260       2.12352   0.00000  -0.00009   0.00004  -0.00004   2.12347
   A261       2.12320   0.00000   0.00003  -0.00001   0.00003   2.12323
   A262       2.03600  -0.00001   0.00004  -0.00004   0.00001   2.03601
   A263       1.34633   0.00000   0.00010  -0.00025  -0.00015   1.34618
   A264       1.90028   0.00000   0.00008  -0.00005   0.00003   1.90031
   A265       1.93080   0.00000  -0.00006   0.00003  -0.00003   1.93077
   A266       1.90888  -0.00001  -0.00007   0.00001  -0.00006   1.90882
   A267       1.89683   0.00000   0.00000   0.00001   0.00001   1.89684
   A268       1.91463   0.00000   0.00001   0.00001   0.00001   1.91464
   A269       1.91231   0.00000   0.00004  -0.00001   0.00003   1.91234
   A270       2.67872   0.00000   0.00047   0.00011   0.00058   2.67930
   A271       1.68451   0.00000  -0.00046  -0.00007  -0.00053   1.68398
   A272       1.92593   0.00000  -0.00003  -0.00001  -0.00004   1.92589
   A273       1.91256   0.00000  -0.00004  -0.00001  -0.00005   1.91251
   A274       1.91448   0.00000  -0.00004   0.00000  -0.00004   1.91444
   A275       1.89327   0.00000   0.00005   0.00002   0.00007   1.89334
   A276       1.91063   0.00000   0.00003  -0.00001   0.00002   1.91065
   A277       1.90674   0.00001   0.00003   0.00002   0.00004   1.90679
   A278       1.81735   0.00000   0.00020  -0.00004   0.00016   1.81751
   A279       1.74540  -0.00001  -0.00007  -0.00005  -0.00012   1.74528
   A280       2.18974   0.00000   0.00006  -0.00003   0.00003   2.18977
   A281       2.13051   0.00000  -0.00009   0.00005  -0.00004   2.13047
   A282       1.96285   0.00000   0.00003  -0.00001   0.00002   1.96286
   A283       2.12392   0.00000  -0.00010   0.00002  -0.00008   2.12385
   A284       2.11459   0.00000   0.00000   0.00001   0.00001   2.11460
   A285       2.04220   0.00000   0.00009  -0.00002   0.00007   2.04227
   A286       2.71806  -0.00001   0.00080   0.00021   0.00101   2.71907
   A287       1.63933   0.00001  -0.00076  -0.00024  -0.00101   1.63832
   A288       1.92702   0.00000   0.00007   0.00003   0.00010   1.92712
   A289       1.91463   0.00000  -0.00001  -0.00004  -0.00004   1.91459
   A290       1.91163   0.00000  -0.00004   0.00002  -0.00002   1.91161
   A291       1.89069   0.00000   0.00004  -0.00001   0.00004   1.89073
   A292       1.91294   0.00000  -0.00003   0.00001  -0.00001   1.91292
   A293       1.90672   0.00000  -0.00004  -0.00002  -0.00006   1.90666
   A294       1.35111   0.00001   0.00002   0.00043   0.00045   1.35157
   A295       1.15429  -0.00001   0.00004  -0.00031  -0.00027   1.15402
   A296       1.93396   0.00000   0.00003   0.00000   0.00003   1.93399
   A297       1.90763   0.00000  -0.00001   0.00001   0.00000   1.90763
   A298       1.90135   0.00000   0.00002  -0.00002   0.00001   1.90135
   A299       1.90869   0.00000  -0.00006   0.00003  -0.00003   1.90866
   A300       1.89859   0.00001  -0.00001  -0.00002  -0.00003   1.89856
   A301       1.91352   0.00000   0.00002   0.00000   0.00002   1.91354
   A302       1.61323  -0.00001  -0.00057  -0.00006  -0.00064   1.61260
   A303       1.83082   0.00000   0.00021   0.00004   0.00025   1.83108
   A304       2.18871  -0.00001  -0.00001  -0.00002  -0.00003   2.18868
   A305       2.13007   0.00000   0.00001  -0.00004  -0.00002   2.13004
   A306       1.96406   0.00000   0.00000   0.00005   0.00005   1.96411
   A307       2.12550   0.00001   0.00001   0.00000   0.00001   2.12551
   A308       2.12329   0.00000   0.00006   0.00002   0.00008   2.12337
   A309       2.02990  -0.00001  -0.00008  -0.00001  -0.00009   2.02982
   A310       1.30342   0.00000  -0.00002   0.00001  -0.00002   1.30341
   A311       3.04060   0.00001   0.00024  -0.00006   0.00018   3.04078
   A312       1.91195  -0.00001   0.00007  -0.00004   0.00003   1.91198
   A313       1.92783   0.00000  -0.00013  -0.00007  -0.00020   1.92764
   A314       1.90284   0.00001  -0.00004   0.00002  -0.00003   1.90282
   A315       1.91254   0.00000  -0.00003   0.00007   0.00004   1.91258
   A316       1.91208   0.00000   0.00008  -0.00001   0.00007   1.91215
   A317       1.89645   0.00000   0.00006   0.00003   0.00008   1.89653
   A318       1.79988   0.00000  -0.00022  -0.00016  -0.00038   1.79950
   A319       1.91613   0.00000  -0.00002  -0.00001  -0.00003   1.91610
   A320       1.91440   0.00000  -0.00011   0.00002  -0.00009   1.91431
   A321       1.91952   0.00000  -0.00001  -0.00001  -0.00002   1.91950
   A322       1.90752   0.00000   0.00006   0.00004   0.00009   1.90762
   A323       1.90993   0.00000   0.00004  -0.00003   0.00001   1.90995
   A324       1.89615   0.00000   0.00004  -0.00001   0.00003   1.89618
   A325       2.93362   0.00000  -0.00071  -0.00009  -0.00080   2.93282
   A326       3.39593   0.00000   0.00012   0.00003   0.00015   3.39608
   A327       3.11100   0.00000   0.00008   0.00004   0.00012   3.11112
   A328       3.23674   0.00000   0.00132   0.00001   0.00132   3.23806
   A329       3.25864   0.00000   0.00014  -0.00026  -0.00012   3.25852
   A330       3.25980   0.00000  -0.00004   0.00047   0.00043   3.26023
   A331       3.70982   0.00000  -0.00018  -0.00019  -0.00037   3.70945
   A332       3.28961   0.00000   0.00047   0.00027   0.00074   3.29035
   A333       2.93557   0.00000  -0.00020  -0.00008  -0.00028   2.93530
   A334       2.87860   0.00000  -0.00020  -0.00012  -0.00032   2.87828
   A335       3.23604   0.00000   0.00022   0.00001   0.00023   3.23626
   A336       3.08029   0.00000  -0.00010   0.00005  -0.00005   3.08024
   A337       3.10443   0.00000   0.00001  -0.00012  -0.00011   3.10432
   A338       3.05531   0.00000   0.00027   0.00026   0.00053   3.05584
    D1        2.76059   0.00000   0.00003   0.00002   0.00005   2.76064
    D2       -1.35729   0.00000  -0.00015   0.00005  -0.00010  -1.35739
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   D434      -2.21722   0.00001  -0.00014  -0.00029  -0.00042  -2.21764
   D435       3.08329   0.00000  -0.00002  -0.00018  -0.00020   3.08309
   D436      -1.10123   0.00000  -0.00003  -0.00020  -0.00022  -1.10145
   D437       0.98609   0.00001  -0.00001  -0.00018  -0.00019   0.98590
   D438      -2.33812   0.00000   0.00162  -0.00003   0.00160  -2.33652
   D439      -0.24703   0.00000   0.00185  -0.00005   0.00180  -0.24523
   D440       1.86099   0.00000   0.00178  -0.00005   0.00173   1.86273
   D441       0.74158   0.00000   0.00148  -0.00013   0.00135   0.74293
   D442       2.83266   0.00000   0.00171  -0.00016   0.00155   2.83422
   D443      -1.34250   0.00000   0.00164  -0.00015   0.00149  -1.34101
   D444       0.00400   0.00001   0.00003   0.00007   0.00010   0.00410
   D445       3.11148   0.00001  -0.00027   0.00013  -0.00014   3.11134
   D446      -3.11506   0.00001  -0.00008   0.00015   0.00006  -3.11500
   D447      -0.00758   0.00001  -0.00037   0.00020  -0.00017  -0.00776
   D448       2.43005   0.00000  -0.00043   0.00018  -0.00025   2.42980
   D449      -1.76980   0.00000  -0.00041   0.00018  -0.00023  -1.77004
   D450       0.33812   0.00000  -0.00044   0.00019  -0.00025   0.33787
   D451      -0.67905   0.00000  -0.00015   0.00012  -0.00003  -0.67908
   D452       1.40428   0.00000  -0.00013   0.00012  -0.00001   1.40427
   D453      -2.77098   0.00000  -0.00017   0.00014  -0.00003  -2.77101
   D454       2.04923   0.00000  -0.00043  -0.00018  -0.00061   2.04862
   D455      -2.15030   0.00000  -0.00041  -0.00017  -0.00058  -2.15087
   D456      -0.05712   0.00000  -0.00043  -0.00016  -0.00058  -0.05771
   D457      -1.12485   0.00000  -0.00071  -0.00013  -0.00084  -1.12569
   D458       0.95881   0.00000  -0.00069  -0.00012  -0.00081   0.95800
   D459       3.05198   0.00000  -0.00071  -0.00010  -0.00081   3.05117
   D460      -3.08655   0.00000   0.00005  -0.00013  -0.00008  -3.08663
   D461      -0.02274   0.00000  -0.00003   0.00007   0.00004  -0.02270
   D462       0.06902   0.00000   0.00013  -0.00023  -0.00010   0.06893
   D463       3.13283   0.00001   0.00005  -0.00003   0.00002   3.13285
   D464       1.91618   0.00001  -0.00101   0.00007  -0.00094   1.91524
   D465      -2.28456   0.00000  -0.00092   0.00006  -0.00086  -2.28541
   D466      -0.19189   0.00001  -0.00099   0.00003  -0.00097  -0.19286
   D467      -1.15070   0.00000  -0.00093  -0.00012  -0.00105  -1.15175
   D468       0.93174   0.00000  -0.00084  -0.00013  -0.00097   0.93077
   D469       3.02441   0.00001  -0.00091  -0.00017  -0.00108   3.02333
   D470      -1.63089   0.00000   0.00029  -0.00068  -0.00039  -1.63127
   D471       0.47372  -0.00001   0.00023  -0.00064  -0.00040   0.47332
   D472       2.56420  -0.00001   0.00026  -0.00064  -0.00038   2.56383
   D473       1.43643   0.00000   0.00020  -0.00048  -0.00028   1.43615
   D474      -2.74215   0.00000   0.00015  -0.00044  -0.00030  -2.74245
   D475      -0.65167  -0.00001   0.00018  -0.00045  -0.00027  -0.65194
   D476       0.01491   0.00001   0.00035   0.00000   0.00036   0.01527
   D477      -3.02122   0.00001   0.00044  -0.00016   0.00028  -3.02093
   D478       3.12858   0.00000   0.00027  -0.00004   0.00023   3.12881
   D479       0.09245   0.00000   0.00035  -0.00020   0.00015   0.09260
   D480      -0.27552   0.00000   0.00028   0.00009   0.00038  -0.27514
   D481       1.83279  -0.00001   0.00021   0.00012   0.00032   1.83311
   D482      -2.36773   0.00000   0.00017   0.00012   0.00029  -2.36744
   D483       2.76595   0.00000   0.00021   0.00025   0.00046   2.76641
   D484      -1.40893  -0.00001   0.00013   0.00027   0.00040  -1.40853
   D485       0.67374   0.00000   0.00010   0.00027   0.00037   0.67411
   D486      -0.11498   0.00000  -0.00002   0.00035   0.00033  -0.11465
   D487       1.98132   0.00000  -0.00003   0.00040   0.00037   1.98169
   D488      -2.21746   0.00000  -0.00006   0.00040   0.00034  -2.21712
   D489       3.12660   0.00000   0.00006   0.00020   0.00026   3.12686
   D490      -1.06029   0.00000   0.00005   0.00025   0.00030  -1.05999
   D491       1.02412   0.00000   0.00002   0.00025   0.00026   1.02438
         Item               Value     Threshold  Converged?
 Maximum Force            0.000024     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.005266     0.001800     NO 
 RMS     Displacement     0.000686     0.001200     YES
 Predicted change in Energy=-2.214905D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:57:24 2016, MaxMem=  2952790016 cpu:        13.3
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.784761   -0.575661    1.630159
      2          6           0       -2.039634    1.109811   -1.409211
      3          8           0       -2.557513    0.121863   -1.958097
      4          7           0       -0.753073    1.188034   -0.971637
      5          1           0       -2.615622    2.032870   -1.197119
      6          6           0       -0.264212    2.354245   -0.235296
      7          1           0       -1.036901    3.135648   -0.226971
      8          1           0       -0.021324    2.069265    0.801317
      9          1           0        0.646160    2.746270   -0.716956
     10          6           0        0.189725    0.079978   -1.141335
     11          1           0        0.728981   -0.087364   -0.195789
     12          1           0       -0.361797   -0.829314   -1.413434
     13          1           0        0.924343    0.318346   -1.928084
     14          6           0       -2.083698   -3.937654    2.695055
     15          8           0       -2.232719   -3.738074    3.912654
     16          7           0       -2.991293   -3.634328    1.727531
     17          1           0       -1.154006   -4.375922    2.280513
     18          6           0       -4.279704   -3.013713    2.048502
     19          1           0       -4.503635   -2.245672    1.291751
     20          1           0       -5.086405   -3.765627    2.038113
     21          1           0       -4.222752   -2.549446    3.041158
     22          6           0       -2.712181   -3.872606    0.310963
     23          1           0       -3.424854   -4.605222   -0.102164
     24          1           0       -2.816350   -2.928927   -0.250032
     25          1           0       -1.687542   -4.252297    0.194242
     26          6           0        1.611017    0.358955    2.572925
     27          8           0        1.464539    1.387580    3.254379
     28          7           0        1.205971   -0.890096    2.931309
     29          1           0        2.089511    0.378440    1.573907
     30          6           0        1.481407   -2.057892    2.092815
     31          1           0        2.232487   -2.707676    2.572796
     32          1           0        0.556763   -2.641382    1.953149
     33          1           0        1.852418   -1.727129    1.112848
     34          6           0        0.558486   -1.135716    4.222360
     35          1           0        1.300061   -1.437481    4.981717
     36          1           0        0.050645   -0.220942    4.553255
     37          1           0       -0.176704   -1.944478    4.104670
     38          6           0       -4.604361    0.973954    2.913286
     39          8           0       -4.859072    1.524983    1.828344
     40          7           0       -3.546981    1.268641    3.718362
     41          1           0       -5.226125    0.148516    3.313834
     42          6           0       -2.583067    2.318020    3.373805
     43          1           0       -2.688872    2.580029    2.313143
     44          1           0       -2.750781    3.213689    3.994144
     45          1           0       -1.564269    1.945165    3.561501
     46          6           0       -3.239222    0.469889    4.905273
     47          1           0       -4.034299   -0.269716    5.072196
     48          1           0       -2.278175   -0.053703    4.762054
     49          1           0       -3.155838    1.123977    5.787991
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484759   0.000000
     3  O    3.736210   1.243188   0.000000
     4  N    3.308223   1.361186   2.316426   0.000000
     5  H    3.935513   1.108505   2.057769   2.057590   0.000000
     6  C    3.791614   2.465525   3.634667   1.463294   2.560764
     7  H    4.216876   2.550918   3.793674   2.104349   2.156308
     8  H    3.285167   3.143336   4.223624   2.110779   3.274973
     9  H    4.738517   3.220358   4.323363   2.109695   3.373235
    10  C    3.465492   2.470295   2.866387   1.464737   3.418606
    11  H    3.145063   3.251285   3.735044   2.103584   4.084657
    12  H    3.369366   2.564247   2.454091   2.101899   3.649468
    13  H    4.560656   3.111399   3.487525   2.117752   4.000656
    14  C    3.539260   6.505677   6.193222   6.441108   7.146965
    15  O    3.925724   7.201494   7.033514   7.093108   7.717525
    16  N    3.289475   5.766425   5.280245   5.962408   6.388415
    17  H    3.906763   6.670207   6.337643   6.457154   7.436589
    18  C    3.513382   5.828991   5.371277   6.262032   6.226654
    19  H    3.208697   4.962435   4.467004   5.565966   5.297640
    20  H    4.609031   6.703488   6.121892   7.237065   7.084777
    21  H    3.439557   6.161327   5.907746   6.489218   6.445423
    22  C    3.670182   5.313737   4.596557   5.576132   6.095760
    23  H    4.682757   6.024019   5.151902   6.438650   6.776285
    24  H    3.183890   4.272983   3.505966   4.661244   5.055363
    25  H    3.948286   5.607783   4.952038   5.641782   6.503886
    26  C    3.646041   5.454213   6.161414   4.340532   5.905903
    27  O    4.129207   5.839988   6.704391   4.776697   6.072886
    28  N    3.276635   5.776997   6.252532   4.836266   6.339733
    29  H    3.990420   5.146235   5.842578   3.900708   5.705611
    30  C    3.616478   5.890353   6.121609   4.991974   6.659102
    31  H    4.644603   6.977149   7.174913   6.054183   7.758170
    32  H    3.139149   5.667291   5.712450   4.993443   6.468140
    33  H    3.850007   5.436642   5.683042   4.430783   6.279882
    34  C    3.538922   6.595999   7.034842   5.839315   7.034603
    35  H    4.635924   7.647628   8.091566   6.822837   8.096537
    36  H    3.469731   6.456870   7.022657   5.758091   6.727217
    37  H    3.253108   6.572828   6.833385   5.992806   7.062335
    38  C    3.463794   5.027948   5.352198   5.474566   4.687410
    39  O    3.728723   4.313162   4.647909   4.981230   3.800585
    40  N    3.296583   5.346899   5.875060   5.459717   5.060971
    41  H    3.898998   5.777972   5.908930   6.281246   5.542040
    42  C    3.471453   4.963097   5.766537   4.848568   4.579925
    43  H    3.352948   4.054500   4.929841   4.058909   3.553405
    44  H    4.569551   5.841942   6.710136   5.723032   5.325581
    45  H    3.183278   5.062782   5.897196   4.666971   4.874166
    46  C    3.732962   6.459197   6.905918   6.421428   6.330164
    47  H    4.123305   6.920291   7.194391   7.029893   6.827800
    48  H    3.213202   6.284519   6.728246   6.061605   6.322927
    49  H    4.696401   7.283257   7.833524   7.174256   7.064678
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098958   0.000000
     8  H    1.102168   1.796092   0.000000
     9  H    1.102024   1.795660   1.791374   0.000000
    10  C    2.489831   3.417279   2.788495   2.738164   0.000000
    11  H    2.636180   3.675204   2.491631   2.882352   1.101298
    12  H    3.395966   4.193374   3.663715   3.779664   1.097737
    13  H    2.902254   3.831117   3.377815   2.727459   1.102477
    14  C    7.175338   7.724353   6.627421   7.985535   6.002309
    15  O    7.628686   8.112616   6.949523   8.471596   6.781487
    16  N    6.866780   7.312476   6.496889   7.740711   5.669686
    17  H    7.239902   7.919904   6.709056   7.934169   5.776652
    18  C    7.082011   7.314929   6.747291   8.067793   6.302522
    19  H    6.439240   6.579010   6.241019   7.448139   5.775481
    20  H    8.116327   8.316050   7.825003   9.102610   7.261895
    21  H    7.102913   7.290447   6.633354   8.116301   6.623978
    22  C    6.713019   7.225758   6.541177   7.492970   5.114016
    23  H    7.644708   8.101788   7.546461   8.425886   6.008008
    24  H    5.867327   6.320288   5.822322   6.664447   4.345621
    25  H    6.771762   7.428492   6.565590   7.433463   4.906781
    26  C    3.922215   4.749833   2.954369   4.177744   3.986682
    27  O    4.012587   4.629552   2.947881   4.276364   4.759966
    28  N    4.765981   5.586755   3.847199   5.181350   4.308159
    29  H    3.566094   4.540904   2.812723   3.596934   3.327282
    30  C    5.285285   6.220623   4.578165   5.627826   4.086399
    31  H    6.304120   7.257550   5.571084   6.563873   5.073329
    32  H    5.515394   6.377050   4.883758   6.013671   4.137191
    33  H    4.791161   5.812906   4.245064   4.981419   3.333395
    34  C    5.720782   6.370742   4.723517   6.282861   5.512088
    35  H    6.636366   7.314734   5.614185   7.099734   6.405255
    36  H    5.446186   5.941382   4.396279   6.077344   5.704231
    37  H    6.109172   6.731325   5.200617   6.777042   5.635003
    38  C    5.536755   5.221198   5.163753   6.624781   6.342114
    39  O    5.104804   4.628991   4.975423   6.186895   6.033025
    40  N    5.252287   5.035064   4.645472   6.279957   6.244402
    41  H    6.487075   6.245787   6.090318   7.581512   7.013178
    42  C    4.289990   4.003091   3.638970   5.229305   5.751844
    43  H    3.524840   3.080568   3.108426   4.509054   5.144900
    44  H    4.980947   4.556456   4.353595   5.826848   6.696259
    45  H    4.034000   4.005981   3.164601   4.881901   5.354632
    46  C    6.231126   6.188411   5.454845   7.203302   6.962125
    47  H    7.019131   6.975821   6.309930   8.032257   7.521479
    48  H    5.901506   6.050050   5.028699   6.812572   6.399876
    49  H    6.793750   6.687039   5.965372   7.707227   7.765197
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795257   0.000000
    13  H    1.789864   1.798929   0.000000
    14  C    5.576099   5.431979   6.966725   0.000000
    15  O    6.243289   6.350468   7.780475   1.242814   0.000000
    16  N    5.488220   4.964677   6.657278   1.360822   2.315374
    17  H    5.298061   5.181821   6.638372   1.108265   2.057755
    18  C    6.219911   5.666268   7.348330   2.468631   2.861801
    19  H    5.852465   5.145767   6.812082   3.269274   3.775374
    20  H    7.234546   6.546528   8.278807   3.078541   3.414409
    21  H    6.407757   6.140784   7.707801   2.573414   2.476404
    22  C    5.140667   4.214200   5.983454   2.466397   3.635954
    23  H    6.137927   5.035794   6.818432   3.173135   4.276903
    24  H    4.543875   3.433177   5.230050   3.198101   4.280572
    25  H    4.830981   4.007372   5.676000   2.551472   3.793182
    26  C    2.939892   4.603807   4.553269   5.668040   5.775363
    27  O    3.823633   5.480749   5.319117   6.423468   6.354162
    28  N    3.263532   4.619349   5.015311   4.490584   4.571499
    29  H    2.280315   4.048677   3.691228   6.107480   6.410702
    30  C    3.112368   4.147359   4.703664   4.075067   4.464253
    31  H    4.097759   5.113569   5.579065   4.489682   4.774411
    32  H    3.342245   3.932076   4.894801   3.033608   3.581005
    33  H    2.379804   3.477200   3.780550   4.783598   5.345199
    34  C    4.544023   5.718651   6.330569   4.143024   3.828709
    35  H    5.381033   6.635480   7.139288   4.788476   4.349270
    36  H    4.799104   6.011789   6.562159   4.671431   4.241973
    37  H    4.771068   5.632701   6.536574   3.097804   2.735151
    38  C    6.263967   6.322312   7.378025   5.524967   5.369044
    39  O    6.158175   6.023066   7.001044   6.188238   6.240341
    40  N    5.953418   6.393915   7.264857   5.503985   5.179983
    41  H    6.916385   6.853094   8.082995   5.191774   4.942130
    42  C    5.431164   6.144706   6.664132   6.312173   6.090105
    43  H    5.009136   5.561140   6.013197   6.556850   6.533371
    44  H    6.368771   7.162055   7.547340   7.298927   6.971516
    45  H    4.848443   5.821825   6.243018   5.968927   5.733178
    46  C    6.486756   7.063538   8.003313   5.064260   4.439065
    47  H    7.104489   7.474211   8.598713   4.786378   4.076731
    48  H    5.798650   6.512353   7.426473   4.404019   3.781288
    49  H    7.236352   7.967593   8.765542   6.027921   5.292313
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057030   0.000000
    18  C    1.465670   3.417518   0.000000
    19  H    2.098916   4.090920   1.101228   0.000000
    20  H    2.122074   3.986851   1.102837   1.790793   0.000000
    21  H    2.102160   3.651274   1.097339   1.797665   1.797523
    22  C    1.463333   2.561321   2.492763   2.611162   2.937930
    23  H    2.116222   3.299467   2.808743   2.945207   2.836629
    24  H    2.106882   3.355718   2.726142   2.385552   3.329989
    25  H    2.105381   2.156959   3.419309   3.627871   3.897305
    26  C    6.151606   5.490894   6.808120   6.768637   7.883759
    27  O    6.885148   6.404932   7.336337   7.257515   8.423165
    28  N    5.157219   4.259578   5.948253   6.093056   6.975705
    29  H    6.476147   5.798591   7.231794   7.101771   8.299551
    30  C    4.756430   3.514811   5.840030   6.041331   6.786421
    31  H    5.372247   3.786398   6.540426   6.872399   7.414265
    32  H    3.691280   2.458156   4.851714   5.118755   5.754693
    33  H    5.241829   4.173504   6.335113   6.379678   7.291012
    34  C    5.006811   4.147570   5.626776   5.953615   6.599406
    35  H    5.816491   4.685443   6.497848   6.924731   7.407564
    36  H    5.374877   4.886757   5.729335   5.956375   6.729042
    37  H    4.053182   3.192896   4.712291   5.169676   5.629600
    38  C    5.024368   6.397384   4.093256   3.606316   4.843751
    39  O    5.487920   6.982310   4.580819   3.825194   5.299645
    40  N    5.320837   6.297208   4.654446   4.376531   5.526021
    41  H    4.671268   6.174176   3.535035   3.216046   4.119162
    42  C    6.189291   6.931549   5.749990   5.371296   6.712789
    43  H    6.249211   7.123351   5.821574   5.255854   6.789046
    44  H    7.217390   7.942822   6.701020   6.338774   7.615251
    45  H    6.044053   6.462614   5.852625   5.599531   6.880355
    46  C    5.196548   5.892315   4.623767   4.693672   5.438040
    47  H    4.857495   5.740253   4.090534   4.291438   4.746996
    48  H    4.747393   5.109147   4.486774   4.669090   5.392994
    49  H    6.257465   6.823387   5.689229   5.778171   6.457313
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389180   0.000000
    23  H    3.839705   1.102407   0.000000
    24  H    3.599153   1.102769   1.789443   0.000000
    25  H    4.175156   1.098942   1.797405   1.795243   0.000000
    26  C    6.535358   6.458531   7.560367   6.195226   6.148355
    27  O    6.920327   7.333366   8.431265   7.017061   7.149005
    28  N    5.677723   5.577947   6.666982   5.518770   5.212326
    29  H    7.111260   6.536258   7.619339   6.191357   6.132970
    30  C    5.803311   4.904525   5.947959   4.971755   4.296769
    31  H    6.474142   5.560818   6.539235   5.788616   4.838388
    32  H    4.902651   3.859882   4.892265   4.039132   3.275013
    33  H    6.426685   5.107020   6.132640   5.009906   4.444280
    34  C    5.123877   5.786783   6.826857   5.882806   5.566278
    35  H    5.958498   6.621469   7.629236   6.822056   6.306256
    36  H    5.096106   6.242187   7.278319   6.214854   6.186607
    37  H    4.227002   4.953638   5.943693   5.186550   4.785405
    38  C    3.546312   5.817352   6.450689   5.332545   6.573792
    39  O    4.298464   6.003796   6.585079   5.322563   6.790130
    40  N    3.936122   6.224121   7.008110   5.822503   6.808648
    41  H    2.891385   5.613072   6.124675   5.289500   6.451402
    42  C    5.146985   6.908077   7.792448   6.380993   7.353955
    43  H    5.403176   6.756165   7.615984   6.077393   7.223093
    44  H    6.024003   7.986420   8.852654   7.466529   8.444566
    45  H    5.247839   6.762408   7.732514   6.312864   7.054230
    46  C    3.682206   6.343715   7.132015   6.189341   6.848399
    47  H    3.059052   6.115403   6.778056   6.072966   6.720317
    48  H    3.601610   5.880867   6.759572   5.803236   6.232331
    49  H    4.709292   7.427012   8.221315   7.280041   7.896217
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242540   0.000000
    28  N    1.361113   2.314960   0.000000
    29  H    1.107870   2.057412   2.057272   0.000000
    30  C    2.467479   3.636041   1.463791   2.564132   0.000000
    31  H    3.128970   4.222017   2.117986   3.246897   1.103052
    32  H    3.239999   4.330103   2.108380   3.407707   1.102240
    33  H    2.557703   3.799739   2.103644   2.168458   1.098813
    34  C    2.462213   2.850428   1.465052   3.413357   2.497429
    35  H    3.020952   3.315376   2.124301   3.941316   2.960329
    36  H    2.587034   2.504699   2.100774   3.659611   3.387511
    37  H    3.293629   3.810418   2.097686   4.115391   2.609551
    38  C    6.254997   6.092535   6.102046   6.852481   6.848491
    39  O    6.616349   6.483866   6.620717   7.047135   7.287566
    40  N    5.361389   5.034358   5.279219   6.095998   6.244430
    41  H    6.880388   6.804690   6.526630   7.523214   7.165899
    42  C    4.697838   4.154888   4.984438   5.369785   6.108150
    43  H    4.846617   4.422520   5.252970   5.312853   6.241000
    44  H    5.403208   4.653048   5.798842   6.109388   7.022538
    45  H    3.684533   3.094981   4.013736   4.444690   5.240004
    46  C    5.383026   5.068824   5.050330   6.285043   6.048466
    47  H    6.205737   6.023978   5.694620   7.082315   6.518996
    48  H    4.482007   4.284658   4.023737   5.424732   5.027531
    49  H    5.800414   5.276036   5.589499   6.769639   6.729239
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787850   0.000000
    33  H    1.799270   1.794627   0.000000
    34  C    2.827437   2.723297   3.419516   0.000000
    35  H    2.878492   3.342766   3.918819   1.103457   0.000000
    36  H    3.855710   3.588207   4.165499   1.097362   1.795713
    37  H    2.955218   2.377538   3.621543   1.099296   1.790836
    38  C    7.772569   6.374144   7.226854   5.728819   6.704895
    39  O    8.292155   6.834138   7.492147   6.493117   7.526943
    40  N    7.108141   5.936747   6.702003   4.784329   5.693239
    41  H    8.021089   6.563291   7.646447   5.994698   6.920139
    42  C    7.006340   6.039244   6.414724   4.745281   5.636298
    43  H    7.228210   6.158479   6.373039   5.291238   6.258854
    44  H    7.868657   7.027614   7.341866   5.469978   6.246440
    45  H    6.086200   5.303016   5.581701   3.799296   4.654427
    46  C    6.743662   5.727525   6.718197   4.179345   4.924327
    47  H    7.173790   6.035818   7.242509   4.750353   5.461434
    48  H    5.672963   4.756354   5.760110   3.083613   3.842768
    49  H    7.352081   6.532024   7.420808   4.620997   5.202516
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795409   0.000000
    38  C    5.078027   5.435143   0.000000
    39  O    5.880368   6.256468   1.243226   0.000000
    40  N    3.982314   4.672487   1.361264   2.315051   0.000000
    41  H    5.432953   5.522925   1.108322   2.058171   2.058603
    42  C    3.843680   4.949105   2.470672   2.863138   1.465963
    43  H    4.513147   5.476470   2.570748   2.461284   2.104930
    44  H    4.467359   5.765829   3.101681   3.462269   2.119718
    45  H    2.878115   4.165296   3.256622   3.746480   2.100818
    46  C    3.379999   3.981099   2.466921   3.633818   1.463379
    47  H    4.118064   4.315319   2.555891   3.797864   2.106392
    48  H    2.344136   2.902304   3.144068   4.214254   2.108970
    49  H    3.689839   4.596109   3.222523   4.329044   2.111228
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419956   0.000000
    43  H    3.653942   1.097656   0.000000
    44  H    3.998179   1.102348   1.797533   0.000000
    45  H    4.086376   1.100999   1.796157   1.790013   0.000000
    46  C    2.565881   2.488277   3.387435   2.932093   2.605308
    47  H    2.164996   3.418624   4.188508   3.865712   3.645401
    48  H    3.290691   2.765007   3.619721   3.389527   2.438537
    49  H    3.370322   2.753561   3.796408   2.783676   2.857394
                   46         47         48         49
    46  C    0.000000
    47  H    1.098648   0.000000
    48  H    1.103753   1.796336   0.000000
    49  H    1.101805   1.796228   1.791582   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2164972      0.1953716      0.1844445
 Leave Link  202 at Mon Nov 14 05:57:24 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.4235371948 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1853700157 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.2381671790 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4053
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.11D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     237
 GePol: Fraction of low-weight points (<1% of avg)   =       5.85%
 GePol: Cavity surface area                          =    468.276 Ang**2
 GePol: Cavity volume                                =    458.526 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040326404 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.2341345387 Hartrees.
 Leave Link  301 at Mon Nov 14 05:57:24 2016, MaxMem=  2952790016 cpu:         1.5
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37521.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:57:26 2016, MaxMem=  2952790016 cpu:        13.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:57:26 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000438   -0.000586   -0.000094
         Rot=    1.000000    0.000025    0.000001    0.000006 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:57:26 2016, MaxMem=  2952790016 cpu:         6.5
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49280427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   3736.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.26D-15 for   2191    779.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.88D-15 for   2172.
 Iteration    1 A^-1*A deviation from orthogonality  is 4.25D-11 for   1815   1796.
 E= -1013.45147518223    
 DIIS: error= 5.12D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45147518223     IErMin= 1 ErrMin= 5.12D-05
 ErrMax= 5.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-06 BMatP= 2.65D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=8.81D-06 MaxDP=2.68D-04              OVMax= 3.65D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.80D-06    CP:  1.00D+00
 E= -1013.45147920707     Delta-E=       -0.000004024840 Rises=F Damp=F
 DIIS: error= 1.32D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147920707     IErMin= 2 ErrMin= 1.32D-05
 ErrMax= 1.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.34D-08 BMatP= 2.65D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.431D-01 0.957D+00
 Coeff:      0.431D-01 0.957D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.81D-06 MaxDP=1.47D-04 DE=-4.02D-06 OVMax= 2.82D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.73D-06    CP:  1.00D+00  9.28D-01
 E= -1013.45147878222     Delta-E=        0.000000424855 Rises=F Damp=F
 DIIS: error= 3.86D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147920707     IErMin= 2 ErrMin= 1.32D-05
 ErrMax= 3.86D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.03D-07 BMatP= 9.34D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.375D-02 0.723D+00 0.273D+00
 Coeff:      0.375D-02 0.723D+00 0.273D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.03D-06 MaxDP=1.16D-04 DE= 4.25D-07 OVMax= 2.29D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.41D-07    CP:  1.00D+00  9.62D-01  3.05D-01
 E= -1013.45147928346     Delta-E=       -0.000000501246 Rises=F Damp=F
 DIIS: error= 3.85D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147928346     IErMin= 4 ErrMin= 3.85D-06
 ErrMax= 3.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.64D-09 BMatP= 9.34D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.210D-04 0.258D+00 0.133D+00 0.609D+00
 Coeff:     -0.210D-04 0.258D+00 0.133D+00 0.609D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.91D-07 MaxDP=1.10D-05 DE=-5.01D-07 OVMax= 2.15D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.53D-07    CP:  1.00D+00  9.67D-01  3.12D-01  6.21D-01
 E= -1013.45147928812     Delta-E=       -0.000000004658 Rises=F Damp=F
 DIIS: error= 1.29D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147928812     IErMin= 5 ErrMin= 1.29D-06
 ErrMax= 1.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-10 BMatP= 5.64D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.296D-05 0.137D+00 0.735D-01 0.378D+00 0.412D+00
 Coeff:      0.296D-05 0.137D+00 0.735D-01 0.378D+00 0.412D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.47D-08 MaxDP=3.52D-06 DE=-4.66D-09 OVMax= 4.23D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.55D-08    CP:  1.00D+00  9.67D-01  3.12D-01  6.32D-01  7.04D-01
 E= -1013.45147928853     Delta-E=       -0.000000000407 Rises=F Damp=F
 DIIS: error= 1.94D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147928853     IErMin= 6 ErrMin= 1.94D-07
 ErrMax= 1.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-11 BMatP= 5.71D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.189D-04 0.447D-01 0.244D-01 0.133D+00 0.200D+00 0.598D+00
 Coeff:     -0.189D-04 0.447D-01 0.244D-01 0.133D+00 0.200D+00 0.598D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.38D-08 MaxDP=6.66D-07 DE=-4.07D-10 OVMax= 1.02D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.20D-08    CP:  1.00D+00  9.67D-01  3.13D-01  6.37D-01  7.03D-01
                    CP:  8.79D-01
 E= -1013.45147928862     Delta-E=       -0.000000000095 Rises=F Damp=F
 DIIS: error= 5.93D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45147928862     IErMin= 7 ErrMin= 5.93D-08
 ErrMax= 5.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.22D-12 BMatP= 1.68D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-04 0.108D-01 0.606D-02 0.356D-01 0.703D-01 0.356D+00
 Coeff-Com:  0.521D+00
 Coeff:     -0.139D-04 0.108D-01 0.606D-02 0.356D-01 0.703D-01 0.356D+00
 Coeff:      0.521D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.49D-09 MaxDP=2.14D-07 DE=-9.46D-11 OVMax= 3.52D-07

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45147929     A.U. after    7 cycles
            NFock=  7  Conv=0.55D-08     -V/T= 2.0213
 KE= 9.923516315330D+02 PE=-6.033994541979D+03 EE= 2.176957296619D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 05:58:55 2016, MaxMem=  2952790016 cpu:       997.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37521.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 05:59:03 2016, MaxMem=  2952790016 cpu:       101.0
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 05:59:03 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 05:59:40 2016, MaxMem=  2952790016 cpu:       444.0
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21904216D+00-2.48858205D+00 3.31850873D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000039868   -0.000016846   -0.000020306
      2        6          -0.000010308    0.000015778    0.000026640
      3        8          -0.000000712    0.000033223   -0.000012722
      4        7          -0.000004627    0.000031562    0.000012114
      5        1           0.000010007    0.000031766    0.000019197
      6        6           0.000023317    0.000010037    0.000015498
      7        1           0.000011143    0.000017264    0.000037752
      8        1           0.000000429    0.000010895    0.000018075
      9        1           0.000001093    0.000020399    0.000018534
     10        6           0.000003753    0.000010609   -0.000012261
     11        1          -0.000006734    0.000020140    0.000018253
     12        1          -0.000008663    0.000023032    0.000010980
     13        1           0.000001187    0.000020141    0.000006373
     14        6          -0.000035991    0.000001504   -0.000037594
     15        8          -0.000004158   -0.000034233   -0.000019449
     16        7          -0.000020578    0.000021057   -0.000011960
     17        1          -0.000004564    0.000012327   -0.000035729
     18        6           0.000003021    0.000005127   -0.000051479
     19        1           0.000003027    0.000001422   -0.000023432
     20        1          -0.000012509    0.000010057   -0.000021829
     21        1          -0.000005121    0.000000887   -0.000011638
     22        6          -0.000013651    0.000040272   -0.000055603
     23        1          -0.000017506    0.000011731   -0.000010527
     24        1          -0.000014756   -0.000000796    0.000001784
     25        1          -0.000015437    0.000008510   -0.000026840
     26        6           0.000003689    0.000006805   -0.000002406
     27        8          -0.000000420   -0.000030209    0.000030144
     28        7           0.000025804    0.000001057    0.000008494
     29        1          -0.000009506   -0.000005763   -0.000000596
     30        6          -0.000007210    0.000011876   -0.000018022
     31        1          -0.000018125   -0.000024183   -0.000012442
     32        1          -0.000017531   -0.000002665   -0.000012475
     33        1           0.000004045   -0.000008214   -0.000006827
     34        6          -0.000001104   -0.000030411    0.000013217
     35        1          -0.000000204   -0.000033645   -0.000013548
     36        1           0.000005074   -0.000029563    0.000008300
     37        1          -0.000012887   -0.000015641   -0.000020588
     38        6           0.000014045   -0.000006075    0.000050177
     39        8           0.000013194    0.000019544    0.000019670
     40        7          -0.000002819   -0.000020132   -0.000006086
     41        1          -0.000004086   -0.000001948   -0.000008771
     42        6          -0.000011824   -0.000026962    0.000047398
     43        1           0.000003460   -0.000006828    0.000025620
     44        1           0.000025269   -0.000000416    0.000016015
     45        1           0.000036820   -0.000015725    0.000025789
     46        6           0.000027386   -0.000025424   -0.000009626
     47        1          -0.000000746   -0.000012560   -0.000000790
     48        1           0.000001011   -0.000022226    0.000019835
     49        1           0.000005134   -0.000026556    0.000013687
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000055603 RMS     0.000019319
 Leave Link  716 at Mon Nov 14 05:59:41 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000016653 RMS     0.000003194
 Search for a local minimum.
 Step number 134 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .31939D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  112  113  114  115  116
                                                    117  118  119  120  121
                                                    122  123  124  125  126
                                                    127  128  129  130  131
                                                    132  133  134
 DE= -3.55D-07 DEPred=-2.21D-07 R= 1.60D+00
 Trust test= 1.60D+00 RLast= 2.23D-02 DXMaxT set to 2.83D-01
 ITU=  0  0  0  0  0  0  1  1  1  1  1  1  1  1 -1  1 -1  0 -1  1
 ITU=  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1 -1
 ITU=  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0  0
 ITU= -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1  1
     Eigenvalues ---    0.00002   0.00023   0.00063   0.00073   0.00085
     Eigenvalues ---    0.00101   0.00112   0.00143   0.00155   0.00185
     Eigenvalues ---    0.00206   0.00233   0.00249   0.00333   0.00385
     Eigenvalues ---    0.00476   0.00481   0.00624   0.00692   0.00724
     Eigenvalues ---    0.00816   0.00859   0.00873   0.00940   0.00985
     Eigenvalues ---    0.01063   0.01180   0.01235   0.01296   0.01360
     Eigenvalues ---    0.01461   0.01479   0.01598   0.01654   0.01760
     Eigenvalues ---    0.01779   0.01815   0.01914   0.01946   0.01957
     Eigenvalues ---    0.02042   0.02153   0.02205   0.02306   0.02362
     Eigenvalues ---    0.02436   0.02545   0.02621   0.02805   0.03145
     Eigenvalues ---    0.03242   0.03350   0.04091   0.04466   0.04844
     Eigenvalues ---    0.05360   0.05749   0.05917   0.06081   0.06272
     Eigenvalues ---    0.06485   0.06523   0.06805   0.06996   0.07092
     Eigenvalues ---    0.07208   0.07338   0.07589   0.07866   0.08083
     Eigenvalues ---    0.08281   0.08449   0.08551   0.08833   0.08989
     Eigenvalues ---    0.09110   0.09261   0.09416   0.09503   0.09694
     Eigenvalues ---    0.09859   0.10123   0.10437   0.10560   0.10742
     Eigenvalues ---    0.10867   0.11102   0.11257   0.11467   0.12927
     Eigenvalues ---    0.12993   0.14011   0.14344   0.14816   0.15232
     Eigenvalues ---    0.15269   0.15322   0.20843   0.22211   0.23215
     Eigenvalues ---    0.23503   0.24616   0.24811   0.25244   0.26007
     Eigenvalues ---    0.26909   0.27429   0.28121   0.28769   0.29359
     Eigenvalues ---    0.29633   0.30490   0.32780   0.32803   0.32858
     Eigenvalues ---    0.32950   0.33250   0.33307   0.33364   0.33373
     Eigenvalues ---    0.33390   0.33422   0.33458   0.33513   0.33727
     Eigenvalues ---    0.33814   0.33823   0.33840   0.33956   0.33997
     Eigenvalues ---    0.34067   0.34220   0.34276   0.35851   0.37038
     Eigenvalues ---    0.39557   0.40870   0.86159   0.86337   0.86974
     Eigenvalues ---    0.89819
 Eigenvalue     1 is   1.82D-05 Eigenvector:
                         D399      D397      D395      D407      D379
   1                   -0.23162  -0.22811  -0.22317  -0.22192  -0.22181
                         D401      D393      D381      D377      D405
   1                   -0.22148  -0.22090  -0.22088  -0.22088  -0.21887
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   134  133  132  131  130
 RFO step:  Lambda=-2.79448650D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  4.75D-07 SmlDif=  1.00D-05
 RMS Error=  0.1824526353D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.26621   -1.91551    0.27545    0.38937   -0.01552
 Iteration  1 RMS(Cart)=  0.00062818 RMS(Int)=  0.00000109
 Iteration  2 RMS(Cart)=  0.00000073 RMS(Int)=  0.00000035
 ITry= 1 IFail=0 DXMaxC= 5.14D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58524   0.00000  -0.00090   0.00035  -0.00055   6.58469
    R2        6.25164   0.00000   0.00023   0.00020   0.00043   6.25207
    R3        7.16511   0.00001   0.00053   0.00058   0.00111   7.16622
    R4        6.20807   0.00000   0.00045   0.00082   0.00128   6.20934
    R5        6.54883  -0.00001   0.00030  -0.00020   0.00010   6.54893
    R6        5.94331  -0.00001  -0.00001  -0.00048  -0.00049   5.94282
    R7        6.68823   0.00000  -0.00054   0.00009  -0.00045   6.68779
    R8        6.21621   0.00000  -0.00022  -0.00002  -0.00024   6.21597
    R9        6.63933   0.00000  -0.00072   0.00005  -0.00067   6.63866
   R10        6.06356   0.00000  -0.00020   0.00027   0.00008   6.06363
   R11        6.93564   0.00000   0.00044   0.00021   0.00064   6.93628
   R12        6.01668   0.00000   0.00115   0.00042   0.00157   6.01825
   R13        6.89002   0.00000  -0.00053   0.00005  -0.00048   6.88954
   R14        6.19194   0.00000  -0.00018  -0.00014  -0.00031   6.19163
   R15        6.83415  -0.00001  -0.00084  -0.00062  -0.00146   6.83269
   R16        5.93213  -0.00001  -0.00064  -0.00073  -0.00137   5.93076
   R17        6.68759   0.00000   0.00026   0.00014   0.00040   6.68799
   R18        6.54562   0.00000  -0.00117   0.00030  -0.00088   6.54475
   R19        6.22964  -0.00001  -0.00054  -0.00001  -0.00055   6.22909
   R20        6.56010  -0.00001  -0.00010   0.00006  -0.00004   6.56005
   R21        6.01552   0.00000   0.00012   0.00056   0.00067   6.01620
   R22        7.05428  -0.00001   0.00028   0.00012   0.00039   7.05467
   R23        6.07207   0.00001   0.00150   0.00048   0.00198   6.07405
   R24        2.34929   0.00001   0.00001   0.00001   0.00001   2.34930
   R25        2.57227   0.00000   0.00001  -0.00001   0.00000   2.57227
   R26        2.09477   0.00000  -0.00001   0.00000  -0.00001   2.09476
   R27        2.76523   0.00001   0.00003  -0.00002   0.00002   2.76524
   R28        2.76795   0.00001  -0.00003   0.00002  -0.00002   2.76793
   R29        2.07673   0.00000   0.00001   0.00000   0.00001   2.07674
   R30        2.08280   0.00000   0.00003  -0.00003   0.00000   2.08280
   R31        2.08252   0.00000  -0.00001   0.00000  -0.00001   2.08251
   R32        2.08115   0.00000   0.00001   0.00000   0.00001   2.08116
   R33        2.07442   0.00000  -0.00001   0.00000  -0.00001   2.07441
   R34        2.08338   0.00000   0.00000   0.00000   0.00000   2.08338
   R35        2.34858   0.00000   0.00001   0.00000   0.00001   2.34858
   R36        2.57158   0.00000  -0.00001  -0.00001  -0.00002   2.57156
   R37        2.09432   0.00000   0.00001   0.00000   0.00001   2.09433
   R38        2.76972  -0.00001   0.00006  -0.00003   0.00004   2.76975
   R39        2.76530   0.00000   0.00007  -0.00001   0.00006   2.76536
   R40        2.08102  -0.00001  -0.00001  -0.00001  -0.00003   2.08099
   R41        2.08406   0.00000  -0.00001   0.00000   0.00000   2.08406
   R42        2.07367   0.00000   0.00001   0.00000   0.00001   2.07368
   R43        2.08325   0.00000   0.00000   0.00000   0.00000   2.08325
   R44        2.08393  -0.00002  -0.00006   0.00000  -0.00007   2.08386
   R45        2.07670   0.00000   0.00000   0.00000   0.00000   2.07670
   R46        2.34806   0.00000   0.00000  -0.00001  -0.00001   2.34805
   R47        2.57213   0.00000   0.00001   0.00002   0.00003   2.57216
   R48        2.09357   0.00000  -0.00001   0.00000   0.00000   2.09357
   R49        2.76616   0.00000  -0.00004   0.00002  -0.00002   2.76614
   R50        2.76855   0.00001  -0.00001   0.00000  -0.00001   2.76854
   R51        2.08447   0.00000   0.00000  -0.00001   0.00000   2.08446
   R52        2.08293   0.00001   0.00002   0.00001   0.00004   2.08297
   R53        2.07645   0.00000   0.00002  -0.00001   0.00001   2.07647
   R54        2.08523   0.00000   0.00000   0.00000   0.00000   2.08523
   R55        2.07371   0.00000  -0.00001  -0.00001  -0.00002   2.07370
   R56        2.07737   0.00000   0.00002   0.00001   0.00003   2.07740
   R57        2.34936   0.00000   0.00005  -0.00001   0.00004   2.34940
   R58        2.57242  -0.00001  -0.00002  -0.00003  -0.00005   2.57237
   R59        2.09442   0.00000   0.00000  -0.00001  -0.00001   2.09442
   R60        2.77027   0.00000   0.00003  -0.00004  -0.00001   2.77026
   R61        2.76539   0.00000   0.00004  -0.00002   0.00002   2.76541
   R62        2.07427   0.00000  -0.00002   0.00000  -0.00001   2.07425
   R63        2.08314   0.00000   0.00001   0.00000   0.00001   2.08315
   R64        2.08059   0.00001   0.00004  -0.00004   0.00000   2.08059
   R65        2.07614   0.00000  -0.00002   0.00000  -0.00001   2.07613
   R66        2.08579  -0.00001  -0.00002  -0.00001  -0.00003   2.08576
   R67        2.08211   0.00000   0.00001   0.00001   0.00001   2.08212
    A1        0.68641   0.00000   0.00000  -0.00005  -0.00005   0.68635
    A2        0.96405   0.00000  -0.00002  -0.00007  -0.00009   0.96396
    A3        0.72672   0.00000   0.00006  -0.00001   0.00005   0.72677
    A4        1.02042   0.00000   0.00005  -0.00001   0.00003   1.02045
    A5        2.36841   0.00000  -0.00003  -0.00016  -0.00018   2.36823
    A6        2.03613   0.00000  -0.00020  -0.00014  -0.00035   2.03578
    A7        1.96877   0.00000  -0.00046  -0.00011  -0.00057   1.96820
    A8        1.66872   0.00000  -0.00059  -0.00010  -0.00069   1.66803
    A9        1.67348   0.00000  -0.00008  -0.00013  -0.00021   1.67328
   A10        1.38852   0.00000  -0.00009  -0.00013  -0.00022   1.38830
   A11        1.74128   0.00000   0.00029   0.00011   0.00040   1.74168
   A12        2.04825   0.00000   0.00043   0.00011   0.00053   2.04878
   A13        1.95613   0.00000   0.00051   0.00009   0.00059   1.95672
   A14        2.05169   0.00000   0.00065   0.00009   0.00074   2.05243
   A15        2.44003   0.00000   0.00033   0.00011   0.00043   2.44047
   A16        1.61799   0.00000  -0.00088  -0.00002  -0.00090   1.61709
   A17        1.81604   0.00000  -0.00049   0.00005  -0.00044   1.81560
   A18        1.58889   0.00000  -0.00004   0.00011   0.00007   1.58896
   A19        1.72260   0.00000   0.00031   0.00021   0.00052   1.72312
   A20        2.21586   0.00000  -0.00048   0.00004  -0.00044   2.21542
   A21        2.43460   0.00000  -0.00034   0.00004  -0.00030   2.43430
   A22        0.65171   0.00000  -0.00005  -0.00006  -0.00010   0.65160
   A23        0.66222   0.00000  -0.00001   0.00000  -0.00001   0.66221
   A24        2.44869   0.00000   0.00035  -0.00003   0.00032   2.44900
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   D355      -1.42484   0.00000  -0.00204  -0.00009  -0.00214  -1.42697
   D356      -2.99014   0.00000  -0.00155  -0.00017  -0.00173  -2.99187
   D357      -0.82416   0.00000  -0.00174  -0.00011  -0.00185  -0.82602
   D358       2.65465   0.00000  -0.00106  -0.00017  -0.00123   2.65342
   D359      -1.46256   0.00000  -0.00125  -0.00011  -0.00135  -1.46391
   D360       1.65047   0.00000   0.00009  -0.00007   0.00002   1.65049
   D361      -2.46673   0.00000  -0.00010   0.00000  -0.00010  -2.46683
   D362       1.82537   0.00000   0.00006   0.00001   0.00007   1.82544
   D363      -2.29184   0.00000  -0.00012   0.00007  -0.00005  -2.29189
   D364       2.75708   0.00000  -0.00005  -0.00005  -0.00010   2.75698
   D365      -1.36012   0.00000  -0.00023   0.00001  -0.00022  -1.36034
   D366       2.76479   0.00000  -0.00034  -0.00015  -0.00049   2.76430
   D367      -1.35241   0.00000  -0.00053  -0.00009  -0.00062  -1.35303
   D368       0.08870   0.00000  -0.00127  -0.00030  -0.00157   0.08713
   D369      -2.32229   0.00000  -0.00441   0.00129  -0.00312  -2.32541
   D370       0.48893   0.00000  -0.00122  -0.00032  -0.00154   0.48739
   D371      -1.92205   0.00000  -0.00436   0.00127  -0.00309  -1.92515
   D372       0.70140   0.00000  -0.00137  -0.00038  -0.00175   0.69965
   D373      -1.70959   0.00000  -0.00451   0.00121  -0.00330  -1.71289
   D374       0.96875   0.00000  -0.00141  -0.00043  -0.00184   0.96691
   D375      -1.44224   0.00000  -0.00455   0.00116  -0.00339  -1.44563
   D376       0.73385   0.00000  -0.00104  -0.00026  -0.00131   0.73254
   D377      -1.67714   0.00000  -0.00418   0.00133  -0.00286  -1.67999
   D378       1.07610   0.00000  -0.00113  -0.00026  -0.00140   1.07471
   D379      -1.33488   0.00000  -0.00427   0.00133  -0.00294  -1.33783
   D380      -2.67067   0.00000  -0.00085  -0.00009  -0.00094  -2.67161
   D381       1.20153   0.00000  -0.00399   0.00150  -0.00249   1.19904
   D382      -2.15790   0.00000  -0.00087  -0.00011  -0.00098  -2.15889
   D383       1.71429   0.00000  -0.00401   0.00148  -0.00253   1.71176
   D384      -1.91726   0.00000  -0.00074  -0.00020  -0.00094  -1.91820
   D385       1.95494   0.00000  -0.00388   0.00139  -0.00249   1.95245
   D386      -1.59008   0.00000  -0.00064  -0.00022  -0.00086  -1.59094
   D387       2.28212   0.00000  -0.00378   0.00137  -0.00241   2.27971
   D388      -1.72547   0.00000  -0.00104  -0.00015  -0.00119  -1.72665
   D389       2.14673   0.00000  -0.00418   0.00144  -0.00273   2.14400
   D390      -1.17256  -0.00001  -0.00103  -0.00032  -0.00135  -1.17391
   D391       2.69964  -0.00001  -0.00417   0.00127  -0.00290   2.69674
   D392       1.82907   0.00000  -0.00097  -0.00021  -0.00118   1.82789
   D393      -0.58192   0.00000  -0.00411   0.00138  -0.00272  -0.58464
   D394       2.14101   0.00000  -0.00089  -0.00019  -0.00108   2.13993
   D395      -0.26997   0.00000  -0.00403   0.00140  -0.00263  -0.27260
   D396       2.11501   0.00000  -0.00088  -0.00014  -0.00103   2.11399
   D397      -0.29597   0.00000  -0.00402   0.00145  -0.00258  -0.29855
   D398       2.35172   0.00000  -0.00084  -0.00008  -0.00092   2.35080
   D399      -0.05927   0.00000  -0.00398   0.00151  -0.00247  -0.06173
   D400       2.53074   0.00000  -0.00089  -0.00020  -0.00109   2.52965
   D401       0.11975   0.00000  -0.00403   0.00139  -0.00263   0.11712
   D402      -1.53271   0.00000   0.00001  -0.00016  -0.00014  -1.53285
   D403       2.33949   0.00000  -0.00313   0.00143  -0.00169   2.33780
   D404      -2.62578   0.00000  -0.00002  -0.00016  -0.00018  -2.62596
   D405       1.24642   0.00000  -0.00316   0.00143  -0.00173   1.24469
   D406      -2.97102   0.00000  -0.00032  -0.00024  -0.00056  -2.97158
   D407       0.90118   0.00000  -0.00346   0.00135  -0.00211   0.89907
   D408       1.92356   0.00000  -0.00108  -0.00010  -0.00118   1.92238
   D409       2.43259   0.00000  -0.00123  -0.00011  -0.00134   2.43125
   D410       2.65890   0.00000  -0.00105  -0.00011  -0.00116   2.65774
   D411       2.88605   0.00000  -0.00098  -0.00012  -0.00110   2.88495
   D412       2.88835   0.00000  -0.00171  -0.00007  -0.00178   2.88657
   D413      -2.89978   0.00000  -0.00145  -0.00006  -0.00151  -2.90129
   D414      -0.70832   0.00000  -0.00029   0.00016  -0.00013  -0.70845
   D415      -0.33281   0.00000  -0.00022   0.00018  -0.00005  -0.33286
   D416      -0.00548   0.00000  -0.00024   0.00013  -0.00011  -0.00559
   D417       0.29926   0.00000  -0.00021   0.00014  -0.00007   0.29919
   D418      -0.22270   0.00000  -0.00010   0.00023   0.00012  -0.22258
   D419       0.06956   0.00000  -0.00003   0.00023   0.00020   0.06976
   D420      -2.52458   0.00000  -0.00079   0.00003  -0.00075  -2.52533
   D421      -2.14397   0.00000  -0.00075   0.00003  -0.00072  -2.14469
   D422      -1.88086   0.00000  -0.00071   0.00008  -0.00063  -1.88149
   D423      -1.56408   0.00000  -0.00063   0.00011  -0.00053  -1.56461
   D424      -1.94940   0.00000  -0.00077   0.00002  -0.00075  -1.95016
   D425       1.29470   0.00000   0.00024   0.00014   0.00038   1.29508
   D426       2.46846   0.00000   0.00036   0.00011   0.00047   2.46893
   D427       2.94601   0.00000   0.00039   0.00015   0.00053   2.94654
   D428      -3.05032  -0.00001   0.00036  -0.00017   0.00019  -3.05013
   D429       0.02600  -0.00001  -0.00003  -0.00006  -0.00010   0.02590
   D430       0.06107   0.00000   0.00030  -0.00014   0.00015   0.06123
   D431       3.13739   0.00000  -0.00010  -0.00004  -0.00013   3.13726
   D432      -0.12045   0.00000  -0.00044   0.00015  -0.00029  -0.12075
   D433       1.97819   0.00000  -0.00052   0.00019  -0.00033   1.97785
   D434      -2.21764   0.00000  -0.00041   0.00015  -0.00026  -2.21790
   D435       3.08309   0.00000  -0.00008   0.00005  -0.00002   3.08307
   D436      -1.10145   0.00000  -0.00015   0.00009  -0.00007  -1.10152
   D437       0.98590   0.00001  -0.00004   0.00005   0.00001   0.98591
   D438      -2.33652   0.00000   0.00075   0.00007   0.00082  -2.33570
   D439      -0.24523  -0.00001   0.00083   0.00005   0.00088  -0.24435
   D440       1.86273   0.00000   0.00080   0.00008   0.00088   1.86360
   D441       0.74293   0.00000   0.00038   0.00017   0.00055   0.74348
   D442       2.83422  -0.00001   0.00046   0.00015   0.00061   2.83483
   D443      -1.34101   0.00000   0.00043   0.00018   0.00061  -1.34041
   D444       0.00410   0.00001   0.00032  -0.00002   0.00030   0.00440
   D445       3.11134   0.00002   0.00019   0.00017   0.00036   3.11171
   D446      -3.11500   0.00001   0.00036  -0.00004   0.00032  -3.11468
   D447      -0.00776   0.00001   0.00022   0.00016   0.00038  -0.00738
   D448       2.42980   0.00000   0.00017   0.00020   0.00036   2.43016
   D449      -1.77004   0.00000   0.00017   0.00020   0.00037  -1.76967
   D450       0.33787   0.00000   0.00018   0.00021   0.00039   0.33826
   D451      -0.67908   0.00000   0.00029   0.00001   0.00030  -0.67877
   D452       1.40427   0.00000   0.00029   0.00002   0.00031   1.40458
   D453      -2.77101   0.00000   0.00030   0.00003   0.00033  -2.77068
   D454       2.04862   0.00000  -0.00043  -0.00024  -0.00068   2.04794
   D455      -2.15087   0.00000  -0.00043  -0.00021  -0.00064  -2.15152
   D456      -0.05771   0.00000  -0.00035  -0.00024  -0.00060  -0.05831
   D457      -1.12569   0.00000  -0.00056  -0.00006  -0.00061  -1.12630
   D458       0.95800   0.00000  -0.00056  -0.00002  -0.00058   0.95742
   D459       3.05117   0.00000  -0.00048  -0.00006  -0.00054   3.05063
   D460      -3.08663  -0.00001  -0.00011   0.00002  -0.00009  -3.08672
   D461      -0.02270   0.00000   0.00021   0.00004   0.00024  -0.02246
   D462       0.06893   0.00000  -0.00014   0.00010  -0.00004   0.06888
   D463       3.13285   0.00001   0.00018   0.00011   0.00029   3.13315
   D464       1.91524   0.00001  -0.00003   0.00005   0.00002   1.91526
   D465      -2.28541   0.00000  -0.00005   0.00001  -0.00004  -2.28545
   D466      -0.19286   0.00001  -0.00008   0.00007  -0.00001  -0.19287
   D467      -1.15175   0.00001  -0.00034   0.00003  -0.00031  -1.15206
   D468       0.93077   0.00000  -0.00035  -0.00001  -0.00037   0.93041
   D469       3.02333   0.00001  -0.00038   0.00005  -0.00033   3.02299
   D470      -1.63127   0.00000  -0.00086  -0.00018  -0.00104  -1.63232
   D471       0.47332  -0.00001  -0.00083  -0.00018  -0.00101   0.47231
   D472       2.56383  -0.00001  -0.00083  -0.00016  -0.00099   2.56284
   D473       1.43615   0.00000  -0.00056  -0.00016  -0.00072   1.43542
   D474      -2.74245   0.00000  -0.00053  -0.00016  -0.00069  -2.74313
   D475      -0.65194  -0.00001  -0.00053  -0.00014  -0.00067  -0.65261
   D476       0.01527   0.00000   0.00033   0.00002   0.00035   0.01561
   D477      -3.02093   0.00000   0.00014  -0.00024  -0.00011  -3.02104
   D478       3.12881   0.00000   0.00016   0.00003   0.00019   3.12900
   D479       0.09260   0.00000  -0.00003  -0.00023  -0.00026   0.09234
   D480      -0.27514   0.00000   0.00029  -0.00048  -0.00019  -0.27533
   D481       1.83311   0.00000   0.00026  -0.00048  -0.00022   1.83289
   D482      -2.36744   0.00000   0.00022  -0.00050  -0.00028  -2.36772
   D483       2.76641   0.00000   0.00048  -0.00024   0.00025   2.76666
   D484      -1.40853   0.00000   0.00045  -0.00023   0.00021  -1.40831
   D485       0.67411   0.00000   0.00041  -0.00025   0.00016   0.67427
   D486      -0.11465   0.00000   0.00077   0.00047   0.00124  -0.11341
   D487       1.98169   0.00000   0.00084   0.00047   0.00132   1.98301
   D488      -2.21712   0.00000   0.00081   0.00047   0.00128  -2.21584
   D489       3.12686   0.00000   0.00058   0.00022   0.00081   3.12766
   D490      -1.05999   0.00000   0.00066   0.00023   0.00088  -1.05911
   D491       1.02438   0.00000   0.00062   0.00023   0.00085   1.02523
         Item               Value     Threshold  Converged?
 Maximum Force            0.000017     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.005142     0.001800     NO 
 RMS     Displacement     0.000629     0.001200     YES
 Predicted change in Energy=-9.165365D-08
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 05:59:41 2016, MaxMem=  2952790016 cpu:         8.8
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.784023   -0.576349    1.630158
      2          6           0       -2.040555    1.109022   -1.408795
      3          8           0       -2.558251    0.120630   -1.957068
      4          7           0       -0.753777    1.188069   -0.972007
      5          1           0       -2.616890    2.031835   -1.196603
      6          6           0       -0.265131    2.354659   -0.236108
      7          1           0       -1.038138    3.135753   -0.227646
      8          1           0       -0.021785    2.069949    0.800473
      9          1           0        0.644861    2.746957   -0.718248
     10          6           0        0.189592    0.080515   -1.141734
     11          1           0        0.728856   -0.086632   -0.196152
     12          1           0       -0.361391   -0.829043   -1.414021
     13          1           0        0.924172    0.319374   -1.928368
     14          6           0       -2.084132   -3.938082    2.694760
     15          8           0       -2.232940   -3.738524    3.912392
     16          7           0       -2.991723   -3.634428    1.727350
     17          1           0       -1.154616   -4.376609    2.280085
     18          6           0       -4.279782   -3.013074    2.048394
     19          1           0       -4.503523   -2.245329    1.291308
     20          1           0       -5.086838   -3.764614    2.038618
     21          1           0       -4.222302   -2.548329    3.040803
     22          6           0       -2.712997   -3.873150    0.310747
     23          1           0       -3.425778   -4.605966   -0.101840
     24          1           0       -2.817388   -2.929642   -0.250427
     25          1           0       -1.688385   -4.252867    0.193889
     26          6           0        1.610992    0.359516    2.573446
     27          8           0        1.464463    1.388209    3.254778
     28          7           0        1.206308   -0.889593    2.932098
     29          1           0        2.089193    0.378986    1.574288
     30          6           0        1.481703   -2.057411    2.093641
     31          1           0        2.233055   -2.707007    2.573451
     32          1           0        0.557156   -2.641174    1.954333
     33          1           0        1.852325   -1.726682    1.113509
     34          6           0        0.558910   -1.135265    4.223178
     35          1           0        1.300464   -1.437725    4.982278
     36          1           0        0.051639   -0.220329    4.554472
     37          1           0       -0.176759   -1.943599    4.105379
     38          6           0       -4.603038    0.974411    2.911934
     39          8           0       -4.856442    1.525905    1.826897
     40          7           0       -3.546081    1.268146    3.717868
     41          1           0       -5.225705    0.149261    3.311663
     42          6           0       -2.581372    2.317166    3.374472
     43          1           0       -2.686151    2.579602    2.313821
     44          1           0       -2.749230    3.212695    3.994984
     45          1           0       -1.562939    1.943731    3.562990
     46          6           0       -3.239770    0.469101    4.904970
     47          1           0       -4.034900   -0.270747    5.070515
     48          1           0       -2.278356   -0.054108    4.762934
     49          1           0       -3.157831    1.122918    5.788032
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484469   0.000000
     3  O    3.735425   1.243194   0.000000
     4  N    3.308451   1.361187   2.316441   0.000000
     5  H    3.935337   1.108499   2.057778   2.057565   0.000000
     6  C    3.792201   2.465550   3.634692   1.463303   2.560768
     7  H    4.217521   2.550998   3.793760   2.104379   2.156379
     8  H    3.285842   3.143196   4.223451   2.110738   3.274803
     9  H    4.739078   3.220426   4.323447   2.109672   3.373313
    10  C    3.465547   2.470365   2.866534   1.464727   3.418625
    11  H    3.144804   3.251112   3.734817   2.103572   4.084461
    12  H    3.369683   2.564316   2.454175   2.101924   3.649544
    13  H    4.560674   3.111769   3.488208   2.117727   4.000890
    14  C    3.539024   6.504946   6.191723   6.441463   7.146079
    15  O    3.925489   7.200746   7.032031   7.093419   7.716624
    16  N    3.289351   5.765452   5.278569   5.962500   6.387217
    17  H    3.906473   6.669698   6.336309   6.457741   7.435978
    18  C    3.513028   5.827347   5.369124   6.261401   6.224655
    19  H    3.208737   4.960689   4.464727   5.565196   5.295584
    20  H    4.608737   6.702001   6.119998   7.236598   7.082804
    21  H    3.438579   6.159152   5.905177   6.487988   6.442892
    22  C    3.670522   5.313289   4.595346   5.576732   6.095096
    23  H    4.683267   6.023957   5.151231   6.439536   6.775929
    24  H    3.184719   4.272715   3.504845   4.662050   5.054870
    25  H    3.948266   5.607359   4.950834   5.642392   6.503313
    26  C    3.645787   5.454705   6.161592   4.341529   5.906345
    27  O    4.129350   5.840549   6.704649   4.777694   6.073424
    28  N    3.276468   5.777537   6.252712   4.837422   6.340170
    29  H    3.989685   5.146510   5.842599   3.901374   5.705871
    30  C    3.615706   5.890642   6.121547   4.992866   6.659287
    31  H    4.643966   6.977400   7.174800   6.055003   7.758344
    32  H    3.138424   5.667689   5.712476   4.994508   6.468383
    33  H    3.848794   5.436704   5.682798   4.431356   6.279884
    34  C    3.539134   6.596451   7.034871   5.840460   7.034931
    35  H    4.636025   7.648146   8.091518   6.824090   8.097041
    36  H    3.471025   6.457942   7.023385   5.759710   6.728162
    37  H    3.252597   6.572545   6.832702   5.993342   7.061822
    38  C    3.463330   5.025250   5.349512   5.472428   4.684337
    39  O    3.727994   4.309607   4.644875   4.977937   3.796460
    40  N    3.296293   5.345522   5.873457   5.458783   5.059510
    41  H    3.898608   5.774863   5.905561   6.279100   5.538454
    42  C    3.471430   4.963037   5.766335   4.848386   4.580109
    43  H    3.352798   4.054290   4.929847   4.057967   3.553578
    44  H    4.569560   5.841959   6.710012   5.722932   5.325835
    45  H    3.183634   5.063941   5.897913   4.668187   4.875684
    46  C    3.733170   6.458424   6.904597   6.421522   6.329243
    47  H    4.122608   6.918283   7.191703   7.028940   6.825643
    48  H    3.214247   6.284875   6.728098   6.062747   6.323120
    49  H    4.697103   7.283050   7.832666   7.175086   7.064268
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098963   0.000000
     8  H    1.102170   1.796090   0.000000
     9  H    1.102018   1.795644   1.791444   0.000000
    10  C    2.489711   3.417215   2.788315   2.737978   0.000000
    11  H    2.636192   3.675191   2.491499   2.882511   1.101304
    12  H    3.395983   4.193457   3.663806   3.779473   1.097733
    13  H    2.901822   3.830810   3.377266   2.726823   1.102476
    14  C    7.176164   7.724875   6.628577   7.986600   6.003135
    15  O    7.629495   8.113147   6.950655   8.472664   6.782176
    16  N    6.867214   7.312582   6.497657   7.741303   5.670380
    17  H    7.241020   7.920724   6.710489   7.935573   5.777690
    18  C    7.081591   7.314143   6.747219   8.067489   6.302580
    19  H    6.438699   6.578157   6.240875   7.447623   5.775341
    20  H    8.115955   8.315226   7.824953   9.102375   7.262256
    21  H    7.101875   7.289064   6.632640   8.115405   6.623386
    22  C    6.713918   7.226323   6.542391   7.493988   5.115290
    23  H    7.645784   8.102522   7.547793   8.427072   6.009608
    24  H    5.868395   6.321018   5.823719   6.665569   4.347114
    25  H    6.772736   7.429147   6.566849   7.434620   4.908043
    26  C    3.923523   4.750947   2.955499   4.179538   3.987579
    27  O    4.013951   4.630788   2.949120   4.278187   4.760743
    28  N    4.767371   5.587927   3.848496   5.183122   4.309401
    29  H    3.567024   4.541688   2.813250   3.598487   3.327815
    30  C    5.286353   6.221489   4.579068   5.629297   4.087534
    31  H    6.305158   7.258422   5.571989   6.565316   5.074310
    32  H    5.516569   6.377999   4.884797   6.015176   4.138638
    33  H    4.791913   5.813496   4.245549   4.982645   3.334181
    34  C    5.722224   6.371969   4.724988   6.284643   5.513329
    35  H    6.638133   7.316355   5.616013   7.101928   6.406451
    36  H    5.447987   5.943026   4.398099   6.079332   5.705813
    37  H    6.109938   6.731782   5.201441   6.778183   5.635907
    38  C    5.534681   5.218896   5.162011   6.622733   6.340393
    39  O    5.101270   4.625171   4.972267   6.183289   6.030288
    40  N    5.251578   5.034364   4.644862   6.279332   6.243513
    41  H    6.485195   6.243522   6.088999   7.579694   7.011627
    42  C    4.289832   4.003362   3.638416   5.229116   5.751258
    43  H    3.523361   3.079660   3.106254   4.507448   5.143558
    44  H    4.980875   4.556793   4.353128   5.826776   6.695752
    45  H    4.035630   4.008148   3.165847   4.883498   5.355125
    46  C    6.231732   6.188858   5.455735   7.204136   6.962338
    47  H    7.018843   6.975338   6.310088   8.032215   7.520755
    48  H    5.903020   6.051383   5.030390   6.814288   6.401093
    49  H    6.795230   6.688272   5.967193   7.709063   7.766177
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795276   0.000000
    13  H    1.789849   1.798912   0.000000
    14  C    5.577091   5.432867   6.967721   0.000000
    15  O    6.244092   6.351256   7.781283   1.242818   0.000000
    16  N    5.489027   4.965586   6.658157   1.360812   2.315382
    17  H    5.299351   5.182745   6.639630   1.108270   2.057757
    18  C    6.220008   5.666754   7.348536   2.468665   2.861874
    19  H    5.852375   5.146060   6.812039   3.269334   3.775614
    20  H    7.234918   6.547377   8.279382   3.078449   3.414152
    21  H    6.407167   6.140687   7.707307   2.573505   2.476649
    22  C    5.142082   4.215621   5.984972   2.466415   3.635990
    23  H    6.139565   5.037603   6.820355   3.172862   4.276608
    24  H    4.545492   3.434879   5.231717   3.198240   4.280763
    25  H    4.832463   4.008599   5.677572   2.551482   3.793199
    26  C    2.940729   4.604656   4.554082   5.669040   5.776030
    27  O    3.824290   5.481571   5.319711   6.424603   6.355048
    28  N    3.264760   4.620617   5.016506   4.491839   4.572288
    29  H    2.280741   4.049035   3.691806   6.108124   6.411041
    30  C    3.113503   4.148443   4.704945   4.075960   4.464591
    31  H    4.098742   5.114473   5.580191   4.490921   4.775134
    32  H    3.343613   3.933618   4.896418   3.034239   3.580895
    33  H    2.380579   3.477743   3.781644   4.783967   5.345152
    34  C    4.545216   5.720029   6.331738   4.144577   3.829879
    35  H    5.382223   6.636632   7.140449   4.789574   4.350089
    36  H    4.800514   6.013654   6.563521   4.673514   4.243733
    37  H    4.771963   5.633835   6.537522   3.099336   2.736217
    38  C    6.262197   6.321227   7.376154   5.524910   5.369361
    39  O    6.155368   6.021197   6.998087   6.188218   6.240694
    40  N    5.952316   6.393492   7.263836   5.503531   5.179664
    41  H    6.914999   6.852060   8.081328   5.191957   4.942913
    42  C    5.430029   6.144641   6.663342   6.311686   6.089511
    43  H    5.007099   5.560591   6.011591   6.556504   6.532958
    44  H    6.367752   7.162036   7.546608   7.298393   6.970855
    45  H    4.848283   5.822597   6.243338   5.968349   5.732278
    46  C    6.486932   7.063986   8.003458   5.063970   4.438809
    47  H    7.103876   7.473659   8.597965   4.785296   4.076001
    48  H    5.799734   6.513836   7.427597   4.404580   3.781588
    49  H    7.237390   7.968676   8.766485   6.027843   5.292171
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.057016   0.000000
    18  C    1.465689   3.417539   0.000000
    19  H    2.098873   4.090870   1.101214   0.000000
    20  H    2.122108   3.986880   1.102835   1.790798   0.000000
    21  H    2.102164   3.651301   1.097346   1.797673   1.797538
    22  C    1.463366   2.561311   2.492782   2.610993   2.938101
    23  H    2.116182   3.299144   2.808938   2.945336   2.836997
    24  H    2.106826   3.355893   2.725827   2.385012   3.329761
    25  H    2.105388   2.156951   3.419300   3.627608   3.897550
    26  C    6.152435   5.492315   6.808176   6.768780   7.883870
    27  O    6.886037   6.406459   7.336416   7.257731   8.423192
    28  N    5.158391   4.261263   5.948721   6.093635   6.976226
    29  H    6.476621   5.799666   7.231507   7.101479   8.299424
    30  C    4.757383   3.516194   5.840381   6.041687   6.786995
    31  H    5.373481   3.788132   6.541132   6.873029   7.415214
    32  H    3.692237   2.459271   4.852126   5.119254   5.755335
    33  H    5.242242   4.174291   6.334947   6.379452   7.291157
    34  C    5.008190   4.149468   5.627503   5.954522   6.600018
    35  H    5.817467   4.686822   6.498349   6.925442   7.407912
    36  H    5.376871   4.889023   5.730712   5.958051   6.730187
    37  H    4.054374   3.194908   4.712723   5.170196   5.629962
    38  C    5.024039   6.397207   4.092704   3.605975   4.843046
    39  O    5.487816   6.982017   4.580822   3.825390   5.299764
    40  N    5.320217   6.296792   4.653419   4.376002   5.524715
    41  H    4.670869   6.174255   3.534258   3.215189   4.118050
    42  C    6.188931   6.931085   5.749308   5.371275   6.711923
    43  H    6.249118   7.122893   5.821351   5.256265   6.788822
    44  H    7.216928   7.942368   6.700149   6.338567   7.614106
    45  H    6.043745   6.462142   5.851936   5.599625   6.879446
    46  C    5.195935   5.892266   4.622466   4.692947   5.436172
    47  H    4.855854   5.739394   4.088220   4.289637   4.744057
    48  H    4.747879   5.109926   4.486637   4.669583   5.392339
    49  H    6.256922   6.823735   5.687715   5.777241   6.455009
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389153   0.000000
    23  H    3.839860   1.102409   0.000000
    24  H    3.598802   1.102733   1.789491   0.000000
    25  H    4.175058   1.098940   1.797406   1.795268   0.000000
    26  C    6.534623   6.460042   7.561893   6.197046   6.149981
    27  O    6.919639   7.334874   8.432762   7.018870   7.150611
    28  N    5.677414   5.579789   6.668766   5.520906   5.214275
    29  H    7.110190   6.537448   7.620634   6.192830   6.134303
    30  C    5.802912   4.906234   5.949676   4.973694   4.298669
    31  H    6.474197   5.562656   6.541072   5.790581   4.840423
    32  H    4.902270   3.861740   4.894080   4.041253   3.277068
    33  H    6.425780   5.108220   6.133981   5.011353   4.445666
    34  C    5.123938   5.788653   6.828564   5.884923   5.568209
    35  H    5.958498   6.622866   7.630424   6.823761   6.307687
    36  H    5.096798   6.244639   7.280624   6.217616   6.189002
    37  H    4.226753   4.955290   5.945168   5.188280   4.787222
    38  C    3.545598   5.816982   6.450533   5.332045   6.573234
    39  O    4.298265   6.003571   6.585337   5.322116   6.789515
    40  N    3.934612   6.223779   7.007841   5.822352   6.808161
    41  H    2.890878   5.612396   6.124045   5.288489   6.450727
    42  C    5.145583   6.908238   7.792787   6.381582   7.353834
    43  H    5.402216   6.756554   7.616748   6.078187   7.223038
    44  H    6.022441   7.986496   8.852861   7.467025   8.444426
    45  H    5.246284   6.762827   7.733026   6.313918   7.054390
    46  C    3.680403   6.343462   7.131553   6.189344   6.848216
    47  H    3.056506   6.113929   6.776312   6.071613   6.718995
    48  H    3.600805   5.881833   6.760327   5.804571   6.233284
    49  H    4.707274   7.426926   8.220858   7.280257   7.896378
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242534   0.000000
    28  N    1.361129   2.314983   0.000000
    29  H    1.107868   2.057392   2.057286   0.000000
    30  C    2.467481   3.636046   1.463780   2.564138   0.000000
    31  H    3.128982   4.222053   2.117979   3.246903   1.103051
    32  H    3.240063   4.330160   2.108426   3.407776   1.102259
    33  H    2.557709   3.799738   2.103645   2.168469   1.098818
    34  C    2.462288   2.850569   1.465048   3.413406   2.497364
    35  H    3.021419   3.316180   2.124276   3.941690   2.959912
    36  H    2.586941   2.504530   2.100778   3.659549   3.387572
    37  H    3.293510   3.810259   2.097711   4.115259   2.609701
    38  C    6.253546   6.091251   6.101100   6.850532   6.847308
    39  O    6.614038   6.481638   6.619141   7.044223   7.285835
    40  N    5.360104   5.033331   5.278113   6.094412   6.243081
    41  H    6.879651   6.804159   6.526414   7.521900   7.165355
    42  C    4.695738   4.152839   4.982521   5.367623   6.106229
    43  H    4.843720   4.419549   5.250601   5.309758   6.238700
    44  H    5.401198   4.651007   5.796962   6.107373   7.020678
    45  H    3.682767   3.093341   4.011792   4.443133   5.238127
    46  C    5.383113   5.069290   5.050335   6.284856   6.048069
    47  H    6.205536   6.024286   5.694388   7.081685   6.518194
    48  H    4.482407   4.285266   4.024037   5.424990   5.027563
    49  H    5.801553   5.277628   5.590372   6.770549   6.729658
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787814   0.000000
    33  H    1.799284   1.794643   0.000000
    34  C    2.827497   2.723127   3.419464   0.000000
    35  H    2.878064   3.342042   3.918599   1.103457   0.000000
    36  H    3.855722   3.588420   4.165548   1.097354   1.795726
    37  H    2.955808   2.377444   3.621535   1.099313   1.790823
    38  C    7.771717   6.373151   7.225091   5.728508   6.704928
    39  O    8.290709   6.832849   7.489712   6.492305   7.526421
    40  N    7.107036   5.935435   6.700333   4.783584   5.692931
    41  H    8.020993   6.562801   7.645231   5.995218   6.921008
    42  C    7.004475   6.037573   6.412669   4.743517   5.634970
    43  H    7.225941   6.156684   6.370446   5.289262   6.257209
    44  H    7.866816   7.025968   7.339935   5.468145   6.245091
    45  H    6.084253   5.301314   5.579956   3.797145   4.652708
    46  C    6.743550   5.726842   6.717594   4.179569   4.925006
    47  H    7.173420   6.034608   7.241344   4.750627   5.462209
    48  H    5.673142   4.756183   5.760063   3.083880   3.843235
    49  H    7.352790   6.531980   7.421121   4.621939   5.204087
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795413   0.000000
    38  C    5.078519   5.434247   0.000000
    39  O    5.880328   6.255267   1.243248   0.000000
    40  N    3.982343   4.670953   1.361238   2.315007   0.000000
    41  H    5.434293   5.522853   1.108319   2.058163   2.058651
    42  C    3.842399   4.946768   2.470641   2.863044   1.465956
    43  H    4.511721   5.474128   2.570766   2.461206   2.104934
    44  H    4.465820   5.763433   3.101535   3.462110   2.119678
    45  H    2.876292   4.162574   3.256633   3.746433   2.100775
    46  C    3.381056   3.980264   2.466988   3.633868   1.463390
    47  H    4.119302   4.314531   2.555909   3.797887   2.106369
    48  H    2.345200   2.901597   3.144551   4.214651   2.108944
    49  H    3.691434   4.595829   3.222208   4.328772   2.111258
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.419979   0.000000
    43  H    3.653982   1.097648   0.000000
    44  H    3.998060   1.102354   1.797525   0.000000
    45  H    4.086459   1.100999   1.796207   1.790021   0.000000
    46  C    2.566099   2.488224   3.387442   2.931896   2.605228
    47  H    2.165175   3.418567   4.188434   3.865757   3.645153
    48  H    3.291567   2.764523   3.619514   3.388727   2.437837
    49  H    3.369944   2.753871   3.796650   2.783728   2.858011
                   46         47         48         49
    46  C    0.000000
    47  H    1.098640   0.000000
    48  H    1.103738   1.796381   0.000000
    49  H    1.101812   1.796214   1.791562   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2165225      0.1953765      0.1844606
 Leave Link  202 at Mon Nov 14 05:59:41 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.4547468613 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1853679771 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.2693788842 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4051
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.82D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     234
 GePol: Fraction of low-weight points (<1% of avg)   =       5.78%
 GePol: Cavity surface area                          =    468.288 Ang**2
 GePol: Cavity volume                                =    458.532 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040327928 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.2653460914 Hartrees.
 Leave Link  301 at Mon Nov 14 05:59:42 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 05:59:43 2016, MaxMem=  2952790016 cpu:        14.0
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 05:59:43 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000499   -0.000493   -0.000039
         Rot=    1.000000    0.000018    0.000006    0.000006 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 05:59:44 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49231803.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.22D-14 for   2142.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.43D-15 for   2440    167.
 Iteration    1 A^-1*A deviation from unit magnitude is 1.03D-14 for   2089.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.88D-11 for   1807   1795.
 E= -1013.45147598894    
 DIIS: error= 4.72D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45147598894     IErMin= 1 ErrMin= 4.72D-05
 ErrMax= 4.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-06 BMatP= 2.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=7.97D-06 MaxDP=2.60D-04              OVMax= 3.62D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.97D-06    CP:  1.00D+00
 E= -1013.45147954531     Delta-E=       -0.000003556378 Rises=F Damp=F
 DIIS: error= 1.06D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147954531     IErMin= 2 ErrMin= 1.06D-05
 ErrMax= 1.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.02D-08 BMatP= 2.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.366D-01 0.963D+00
 Coeff:      0.366D-01 0.963D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.47D-06 MaxDP=1.38D-04 DE=-3.56D-06 OVMax= 2.36D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.40D-06    CP:  1.00D+00  9.31D-01
 E= -1013.45147923795     Delta-E=        0.000000307367 Rises=F Damp=F
 DIIS: error= 3.19D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147954531     IErMin= 2 ErrMin= 1.06D-05
 ErrMax= 3.19D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.41D-07 BMatP= 7.02D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.340D-02 0.721D+00 0.275D+00
 Coeff:      0.340D-02 0.721D+00 0.275D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.76D-06 MaxDP=1.07D-04 DE= 3.07D-07 OVMax= 1.96D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.68D-07    CP:  1.00D+00  9.62D-01  3.14D-01
 E= -1013.45147960154     Delta-E=       -0.000000363595 Rises=F Damp=F
 DIIS: error= 3.95D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147960154     IErMin= 4 ErrMin= 3.95D-06
 ErrMax= 3.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.55D-09 BMatP= 7.02D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.364D-04 0.273D+00 0.143D+00 0.584D+00
 Coeff:     -0.364D-04 0.273D+00 0.143D+00 0.584D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.81D-07 MaxDP=1.51D-05 DE=-3.64D-07 OVMax= 2.51D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.59D-07    CP:  1.00D+00  9.67D-01  3.21D-01  5.99D-01
 E= -1013.45147960588     Delta-E=       -0.000000004340 Rises=F Damp=F
 DIIS: error= 1.42D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147960588     IErMin= 5 ErrMin= 1.42D-06
 ErrMax= 1.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.37D-10 BMatP= 5.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-05 0.141D+00 0.781D-01 0.380D+00 0.402D+00
 Coeff:      0.195D-05 0.141D+00 0.781D-01 0.380D+00 0.402D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=7.39D-08 MaxDP=5.76D-06 DE=-4.34D-09 OVMax= 6.67D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.90D-08    CP:  1.00D+00  9.68D-01  3.21D-01  6.17D-01  6.60D-01
 E= -1013.45147960653     Delta-E=       -0.000000000645 Rises=F Damp=F
 DIIS: error= 1.26D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147960653     IErMin= 6 ErrMin= 1.26D-07
 ErrMax= 1.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-11 BMatP= 8.37D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-04 0.492D-01 0.279D-01 0.144D+00 0.189D+00 0.591D+00
 Coeff:     -0.179D-04 0.492D-01 0.279D-01 0.144D+00 0.189D+00 0.591D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.44D-08 MaxDP=9.52D-07 DE=-6.45D-10 OVMax= 1.26D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.24D-08    CP:  1.00D+00  9.68D-01  3.22D-01  6.22D-01  6.50D-01
                    CP:  8.86D-01
 E= -1013.45147960654     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 5.32D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1013.45147960654     IErMin= 7 ErrMin= 5.32D-08
 ErrMax= 5.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-12 BMatP= 1.57D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-04 0.102D-01 0.596D-02 0.335D-01 0.549D-01 0.334D+00
 Coeff-Com:  0.562D+00
 Coeff:     -0.154D-04 0.102D-01 0.596D-02 0.335D-01 0.549D-01 0.334D+00
 Coeff:      0.562D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.01D-09 MaxDP=2.86D-07 DE=-1.77D-11 OVMax= 3.68D-07

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45147961     A.U. after    7 cycles
            NFock=  7  Conv=0.50D-08     -V/T= 2.0213
 KE= 9.923516043953D+02 PE=-6.034058764389D+03 EE= 2.176990334296D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 06:01:13 2016, MaxMem=  2952790016 cpu:      1010.5
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37523.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 06:01:22 2016, MaxMem=  2952790016 cpu:        97.8
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 06:01:22 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 06:01:59 2016, MaxMem=  2952790016 cpu:       441.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21977557D+00-2.48930643D+00 3.31851712D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000044852    0.000004224   -0.000033452
      2        6          -0.000007041    0.000013947    0.000028746
      3        8           0.000000430    0.000035561   -0.000012774
      4        7          -0.000000964    0.000034687    0.000017166
      5        1           0.000008685    0.000030951    0.000016671
      6        6           0.000005922    0.000014482    0.000012564
      7        1           0.000011483    0.000015938    0.000035789
      8        1           0.000009122    0.000010873    0.000019460
      9        1           0.000006938    0.000020074    0.000023312
     10        6          -0.000000248    0.000008720   -0.000015957
     11        1          -0.000004814    0.000012404    0.000019303
     12        1          -0.000011439    0.000022972    0.000012479
     13        1           0.000000592    0.000022084    0.000006896
     14        6          -0.000028341   -0.000004310   -0.000034043
     15        8          -0.000002872   -0.000029024   -0.000019413
     16        7          -0.000024085    0.000023305   -0.000022579
     17        1          -0.000005188    0.000010178   -0.000033701
     18        6           0.000010019   -0.000006503   -0.000040890
     19        1          -0.000001646    0.000005082   -0.000021214
     20        1          -0.000013082    0.000009981   -0.000021300
     21        1          -0.000008368    0.000000362   -0.000013007
     22        6          -0.000015186    0.000021980   -0.000021592
     23        1          -0.000015736    0.000017271   -0.000022830
     24        1          -0.000007990    0.000011223   -0.000012117
     25        1          -0.000013318    0.000010653   -0.000030172
     26        6          -0.000003014    0.000005746   -0.000004099
     27        8          -0.000001605   -0.000031575    0.000031943
     28        7           0.000019882    0.000005712    0.000006786
     29        1          -0.000005456   -0.000010461    0.000000703
     30        6          -0.000003462   -0.000004443   -0.000021822
     31        1          -0.000015372   -0.000022090   -0.000013306
     32        1          -0.000015042   -0.000003085   -0.000012240
     33        1           0.000001360   -0.000006803   -0.000008251
     34        6           0.000000400   -0.000034247    0.000009714
     35        1          -0.000000896   -0.000034177   -0.000012355
     36        1           0.000003576   -0.000027321    0.000007220
     37        1          -0.000007907   -0.000016061   -0.000019032
     38        6           0.000000081   -0.000001928    0.000024317
     39        8           0.000005954    0.000013599    0.000030862
     40        7           0.000009104   -0.000020298    0.000016160
     41        1           0.000001636   -0.000004628    0.000000143
     42        6          -0.000013884   -0.000020777    0.000054436
     43        1           0.000004525   -0.000010323    0.000024943
     44        1           0.000028391    0.000000016    0.000013486
     45        1           0.000031602   -0.000014419    0.000016617
     46        6           0.000014231   -0.000010556   -0.000016477
     47        1           0.000000886   -0.000017111   -0.000000432
     48        1           0.000001520   -0.000024553    0.000018335
     49        1           0.000005768   -0.000027330    0.000015007
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000054436 RMS     0.000018136
 Leave Link  716 at Mon Nov 14 06:01:59 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000014472 RMS     0.000002710
 Search for a local minimum.
 Step number 135 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .27103D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  112  113  114  115  116
                                                    117  118  119  120  121
                                                    122  123  124  125  126
                                                    127  128  129  130  131
                                                    132  133  134  135
 DE= -3.18D-07 DEPred=-9.17D-08 R= 3.47D+00
 Trust test= 3.47D+00 RLast= 2.13D-02 DXMaxT set to 2.83D-01
 ITU=  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1 -1  1 -1  0 -1
 ITU=  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1  1
 ITU= -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0  0
 ITU=  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1  1
     Eigenvalues ---    0.00002   0.00022   0.00057   0.00073   0.00085
     Eigenvalues ---    0.00105   0.00109   0.00130   0.00144   0.00183
     Eigenvalues ---    0.00204   0.00229   0.00247   0.00332   0.00382
     Eigenvalues ---    0.00470   0.00479   0.00619   0.00683   0.00723
     Eigenvalues ---    0.00805   0.00865   0.00888   0.00938   0.00972
     Eigenvalues ---    0.01063   0.01169   0.01237   0.01255   0.01346
     Eigenvalues ---    0.01457   0.01470   0.01553   0.01627   0.01752
     Eigenvalues ---    0.01782   0.01825   0.01862   0.01930   0.01985
     Eigenvalues ---    0.02038   0.02131   0.02155   0.02295   0.02356
     Eigenvalues ---    0.02448   0.02524   0.02630   0.02751   0.03146
     Eigenvalues ---    0.03226   0.03306   0.04045   0.04455   0.04749
     Eigenvalues ---    0.05372   0.05702   0.05823   0.06016   0.06279
     Eigenvalues ---    0.06387   0.06489   0.06766   0.06992   0.07025
     Eigenvalues ---    0.07268   0.07363   0.07558   0.07796   0.07999
     Eigenvalues ---    0.08258   0.08403   0.08549   0.08833   0.09030
     Eigenvalues ---    0.09114   0.09242   0.09394   0.09487   0.09637
     Eigenvalues ---    0.09859   0.10120   0.10264   0.10505   0.10741
     Eigenvalues ---    0.10847   0.11086   0.11261   0.11378   0.12929
     Eigenvalues ---    0.12989   0.14001   0.14331   0.14737   0.15140
     Eigenvalues ---    0.15225   0.15316   0.20858   0.22147   0.23014
     Eigenvalues ---    0.23406   0.24608   0.24868   0.25244   0.25807
     Eigenvalues ---    0.26905   0.27444   0.28156   0.28803   0.29362
     Eigenvalues ---    0.29671   0.30492   0.32783   0.32804   0.32857
     Eigenvalues ---    0.32950   0.33249   0.33304   0.33364   0.33372
     Eigenvalues ---    0.33391   0.33421   0.33462   0.33514   0.33730
     Eigenvalues ---    0.33813   0.33823   0.33838   0.33955   0.33977
     Eigenvalues ---    0.34070   0.34215   0.34282   0.35858   0.37062
     Eigenvalues ---    0.39565   0.40873   0.86147   0.86338   0.86923
     Eigenvalues ---    0.89866
 Eigenvalue     1 is   2.10D-05 Eigenvector:
                         D399      D397      D407      D395      D401
   1                   -0.23078  -0.22747  -0.22370  -0.22282  -0.22122
                         D405      D379      D393      D381      D377
   1                   -0.22109  -0.22074  -0.22063  -0.22033  -0.21969
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   135  134  133  132  131
 RFO step:  Lambda=-2.23616195D-08.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.22D-07 SmlDif=  1.00D-05
 RMS Error=  0.1787347620D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    2.25660   -1.45275   -0.43020    0.80574   -0.17939
 Iteration  1 RMS(Cart)=  0.00053968 RMS(Int)=  0.00000031
 Iteration  2 RMS(Cart)=  0.00000025 RMS(Int)=  0.00000018
 ITry= 1 IFail=0 DXMaxC= 3.39D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58469   0.00000  -0.00012   0.00025   0.00013   6.58482
    R2        6.25207   0.00000   0.00032  -0.00027   0.00005   6.25212
    R3        7.16622   0.00001   0.00050   0.00022   0.00073   7.16695
    R4        6.20934   0.00001   0.00016   0.00062   0.00078   6.21012
    R5        6.54893  -0.00001  -0.00051  -0.00030  -0.00081   6.54812
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   A171       1.90626   0.00000  -0.00017  -0.00019  -0.00037   1.90589
   A172       2.20802   0.00000  -0.00029  -0.00018  -0.00047   2.20755
   A173       2.62833   0.00000  -0.00021  -0.00016  -0.00037   2.62795
   A174       2.05801   0.00000  -0.00038  -0.00013  -0.00051   2.05750
   A175       2.04582   0.00000  -0.00009  -0.00012  -0.00021   2.04561
   A176       2.27133   0.00000   0.00075   0.00029   0.00103   2.27236
   A177       2.04895   0.00000   0.00069   0.00026   0.00095   2.04990
   A178       1.63693   0.00000   0.00061   0.00027   0.00088   1.63781
   A179       1.38665   0.00000   0.00056   0.00028   0.00084   1.38749
   A180       2.13029   0.00000   0.00043   0.00019   0.00063   2.13091
   A181       1.86012   0.00000  -0.00030  -0.00021  -0.00051   1.85961
   A182       2.23195   0.00000  -0.00037  -0.00021  -0.00058   2.23137
   A183       2.56459   0.00000  -0.00015  -0.00018  -0.00033   2.56426
   A184       2.21231   0.00000  -0.00051  -0.00017  -0.00068   2.21163
   A185       2.27273   0.00000  -0.00019  -0.00015  -0.00034   2.27239
   A186       0.69337   0.00000   0.00011   0.00003   0.00014   0.69350
   A187       0.98543   0.00000   0.00015   0.00002   0.00017   0.98561
   A188       0.69898   0.00000   0.00002   0.00002   0.00004   0.69902
   A189       2.14990   0.00000  -0.00042  -0.00009  -0.00051   2.14939
   A190       1.76224   0.00000  -0.00035  -0.00010  -0.00045   1.76179
   A191       1.44035   0.00000  -0.00057  -0.00009  -0.00066   1.43969
   A192       1.13190  -0.00001  -0.00051  -0.00013  -0.00064   1.13126
   A193       1.63511   0.00000  -0.00004  -0.00012  -0.00016   1.63496
   A194       1.41955   0.00000  -0.00017  -0.00010  -0.00027   1.41928
   A195       0.66847   0.00000   0.00011  -0.00002   0.00009   0.66856
   A196       2.26350   0.00000  -0.00024  -0.00018  -0.00042   2.26309
   A197       1.86471   0.00000  -0.00031  -0.00017  -0.00048   1.86424
   A198       1.66057   0.00000  -0.00058  -0.00012  -0.00070   1.65987
   A199       1.33980  -0.00001  -0.00061  -0.00014  -0.00075   1.33905
   A200       1.60490   0.00000  -0.00005  -0.00018  -0.00024   1.60466
   A201       1.33729   0.00000  -0.00017  -0.00017  -0.00034   1.33695
   A202       0.71280   0.00000   0.00001  -0.00002  -0.00001   0.71278
   A203       2.62833   0.00000   0.00000  -0.00024  -0.00025   2.62808
   A204       2.25343   0.00000  -0.00019  -0.00021  -0.00040   2.25303
   A205       2.07656   0.00000  -0.00049  -0.00012  -0.00061   2.07595
   A206       1.75554   0.00000  -0.00051  -0.00014  -0.00065   1.75489
   A207       1.93314   0.00000   0.00002  -0.00022  -0.00020   1.93294
   A208       1.65141   0.00000  -0.00007  -0.00021  -0.00029   1.65112
   A209       0.83197   0.00000  -0.00001  -0.00005  -0.00006   0.83191
   A210       2.61308   0.00000   0.00017  -0.00030  -0.00013   2.61295
   A211       2.34829   0.00000  -0.00017  -0.00028  -0.00045   2.34784
   A212       2.30208   0.00000  -0.00048  -0.00018  -0.00066   2.30142
   A213       1.98917   0.00000  -0.00055  -0.00018  -0.00073   1.98844
   A214       1.96549   0.00000  -0.00005  -0.00026  -0.00031   1.96518
   A215       1.69204   0.00000  -0.00010  -0.00026  -0.00036   1.69168
   A216       1.91601   0.00000  -0.00003  -0.00021  -0.00025   1.91577
   A217       1.54901   0.00000  -0.00018  -0.00020  -0.00038   1.54862
   A218       1.48623   0.00000  -0.00047  -0.00015  -0.00062   1.48561
   A219       1.19633   0.00000  -0.00060  -0.00014  -0.00074   1.19559
   A220       1.22352   0.00000   0.00001  -0.00019  -0.00018   1.22334
   A221       0.94391   0.00000  -0.00009  -0.00018  -0.00027   0.94364
   A222       0.72854   0.00000   0.00002   0.00003   0.00005   0.72859
   A223       1.02089   0.00000   0.00002   0.00005   0.00007   1.02096
   A224       0.69593   0.00000   0.00001  -0.00003  -0.00002   0.69591
   A225       0.97804   0.00000   0.00010  -0.00004   0.00006   0.97810
   A226       0.65944   0.00000   0.00000   0.00005   0.00005   0.65950
   A227       0.65929   0.00000  -0.00005  -0.00003  -0.00008   0.65921
   A228       0.70166   0.00000  -0.00002   0.00000  -0.00002   0.70164
   A229       0.84932   0.00000  -0.00024   0.00001  -0.00022   0.84910
   A230       0.75661   0.00000  -0.00006   0.00004  -0.00002   0.75658
   A231       0.78178   0.00000  -0.00039   0.00005  -0.00034   0.78144
   A232       1.60154   0.00001  -0.00027   0.00015  -0.00012   1.60142
   A233       1.84833   0.00000   0.00020   0.00007   0.00027   1.84861
   A234       2.19118   0.00001   0.00000   0.00001   0.00001   2.19119
   A235       2.12913   0.00000   0.00001   0.00000   0.00001   2.12914
   A236       1.96247   0.00000  -0.00002   0.00000  -0.00002   1.96245
   A237       2.12157   0.00000   0.00003   0.00001   0.00005   2.12162
   A238       2.12675  -0.00001   0.00004  -0.00005  -0.00001   2.12674
   A239       2.03312   0.00000  -0.00010   0.00006  -0.00004   2.03308
   A240       1.83778   0.00000   0.00037  -0.00002   0.00035   1.83813
   A241       2.53429   0.00000  -0.00034   0.00003  -0.00031   2.53398
   A242       1.91306   0.00000   0.00003   0.00001   0.00004   1.91310
   A243       1.91853   0.00000  -0.00003   0.00001  -0.00002   1.91851
   A244       1.91720   0.00000  -0.00002   0.00002  -0.00001   1.91720
   A245       1.90886   0.00000  -0.00005   0.00001  -0.00004   1.90882
   A246       1.90835   0.00000  -0.00003   0.00001  -0.00003   1.90833
   A247       1.89770   0.00000   0.00011  -0.00006   0.00005   1.89775
   A248       1.32379  -0.00001  -0.00030  -0.00007  -0.00038   1.32342
   A249       1.90778  -0.00001  -0.00006   0.00000  -0.00006   1.90772
   A250       1.90922   0.00000   0.00002  -0.00001   0.00001   1.90923
   A251       1.92622   0.00000   0.00003   0.00002   0.00005   1.92627
   A252       1.91027   0.00000  -0.00002  -0.00002  -0.00004   1.91023
   A253       1.89573   0.00000   0.00002   0.00001   0.00003   1.89576
   A254       1.91449   0.00001   0.00000   0.00001   0.00001   1.91450
   A255       1.72374   0.00001   0.00009   0.00004   0.00013   1.72388
   A256       1.76419  -0.00001  -0.00021  -0.00007  -0.00029   1.76390
   A257       2.19052   0.00000   0.00002   0.00001   0.00003   2.19056
   A258       2.13003   0.00000  -0.00001   0.00000  -0.00002   2.13001
   A259       1.96240   0.00000  -0.00001  -0.00001  -0.00002   1.96239
   A260       2.12351   0.00001   0.00009   0.00000   0.00009   2.12360
   A261       2.12322   0.00000  -0.00002  -0.00001  -0.00004   2.12319
   A262       2.03598   0.00000  -0.00006   0.00002  -0.00004   2.03593
   A263       1.34559   0.00000  -0.00077  -0.00007  -0.00084   1.34475
   A264       1.90024   0.00000  -0.00013   0.00000  -0.00012   1.90012
   A265       1.93080   0.00000   0.00006   0.00002   0.00009   1.93089
   A266       1.90880   0.00000   0.00001   0.00000   0.00000   1.90880
   A267       1.89687   0.00000   0.00003   0.00000   0.00003   1.89690
   A268       1.91466   0.00000   0.00002  -0.00002   0.00000   1.91467
   A269       1.91236   0.00000   0.00000  -0.00001  -0.00001   1.91235
   A270       2.67975   0.00000   0.00022   0.00013   0.00035   2.68010
   A271       1.68364   0.00000  -0.00010  -0.00012  -0.00022   1.68341
   A272       1.92579   0.00000  -0.00011   0.00001  -0.00010   1.92570
   A273       1.91243   0.00000  -0.00008   0.00002  -0.00006   1.91237
   A274       1.91441   0.00000  -0.00001   0.00000  -0.00001   1.91440
   A275       1.89346   0.00000   0.00011   0.00000   0.00011   1.89357
   A276       1.91065   0.00000  -0.00001   0.00000  -0.00002   1.91063
   A277       1.90687   0.00000   0.00010  -0.00003   0.00007   1.90694
   A278       1.81788   0.00000   0.00040  -0.00015   0.00025   1.81813
   A279       1.74479  -0.00001  -0.00060   0.00002  -0.00057   1.74422
   A280       2.18979   0.00000   0.00000  -0.00002  -0.00002   2.18977
   A281       2.13044   0.00001   0.00002   0.00003   0.00005   2.13049
   A282       1.96287   0.00000  -0.00002  -0.00001  -0.00002   1.96284
   A283       2.12384   0.00000   0.00005   0.00003   0.00008   2.12392
   A284       2.11470   0.00000   0.00012   0.00000   0.00012   2.11482
   A285       2.04220  -0.00001  -0.00015  -0.00002  -0.00017   2.04203
   A286       2.71945  -0.00001   0.00002   0.00007   0.00009   2.71954
   A287       1.63786   0.00000  -0.00015  -0.00008  -0.00023   1.63763
   A288       1.92712   0.00000  -0.00004   0.00001  -0.00003   1.92709
   A289       1.91464   0.00000   0.00008  -0.00005   0.00003   1.91468
   A290       1.91162   0.00000   0.00003   0.00001   0.00005   1.91166
   A291       1.89065   0.00000  -0.00013   0.00001  -0.00012   1.89053
   A292       1.91294   0.00000   0.00003   0.00002   0.00004   1.91298
   A293       1.90666   0.00000   0.00003  -0.00001   0.00002   1.90667
   A294       1.35257   0.00000   0.00121   0.00021   0.00143   1.35399
   A295       1.15337  -0.00001  -0.00081  -0.00014  -0.00095   1.15242
   A296       1.93396   0.00000  -0.00006   0.00000  -0.00005   1.93391
   A297       1.90764   0.00000   0.00003   0.00000   0.00002   1.90767
   A298       1.90138   0.00000   0.00001   0.00000   0.00001   1.90138
   A299       1.90869   0.00000   0.00007   0.00001   0.00008   1.90877
   A300       1.89853   0.00000  -0.00004  -0.00001  -0.00006   1.89847
   A301       1.91354   0.00000  -0.00001   0.00000   0.00000   1.91354
   A302       1.61234   0.00000   0.00006  -0.00009  -0.00003   1.61231
   A303       1.83114   0.00000  -0.00004   0.00010   0.00005   1.83119
   A304       2.18861   0.00000  -0.00007   0.00001  -0.00006   2.18855
   A305       2.13000   0.00000  -0.00006   0.00001  -0.00005   2.12995
   A306       1.96422   0.00000   0.00013  -0.00002   0.00011   1.96433
   A307       2.12551   0.00000  -0.00001  -0.00001  -0.00002   2.12549
   A308       2.12349   0.00000   0.00009  -0.00001   0.00008   2.12357
   A309       2.02974   0.00000  -0.00003   0.00002  -0.00001   2.02974
   A310       1.30329   0.00000  -0.00018  -0.00006  -0.00025   1.30304
   A311       3.04110   0.00000   0.00033  -0.00008   0.00025   3.04135
   A312       1.91200   0.00000  -0.00001  -0.00005  -0.00006   1.91194
   A313       1.92758   0.00000   0.00002   0.00000   0.00002   1.92760
   A314       1.90276   0.00000  -0.00006   0.00005   0.00000   1.90276
   A315       1.91257   0.00000  -0.00001   0.00003   0.00002   1.91259
   A316       1.91224   0.00000   0.00008  -0.00007   0.00001   1.91225
   A317       1.89654   0.00000  -0.00002   0.00004   0.00002   1.89655
   A318       1.79858   0.00000  -0.00095   0.00009  -0.00087   1.79771
   A319       1.91606   0.00000  -0.00004   0.00000  -0.00005   1.91601
   A320       1.91428   0.00001   0.00004   0.00002   0.00007   1.91434
   A321       1.91952   0.00000   0.00002   0.00001   0.00004   1.91956
   A322       1.90772   0.00000   0.00007  -0.00002   0.00006   1.90777
   A323       1.90993   0.00000  -0.00004  -0.00002  -0.00006   1.90987
   A324       1.89616   0.00000  -0.00005   0.00000  -0.00005   1.89611
   A325       2.93215   0.00000  -0.00045   0.00005  -0.00040   2.93176
   A326       3.39639   0.00000   0.00031   0.00005   0.00036   3.39676
   A327       3.11142   0.00000   0.00032   0.00006   0.00037   3.11179
   A328       3.23828   0.00000  -0.00030  -0.00006  -0.00037   3.23792
   A329       3.25795   0.00000  -0.00077  -0.00008  -0.00084   3.25711
   A330       3.26126   0.00000   0.00128   0.00022   0.00150   3.26276
   A331       3.70850   0.00000  -0.00100   0.00007  -0.00093   3.70757
   A332       3.29113   0.00000   0.00081  -0.00006   0.00076   3.29189
   A333       2.93491   0.00000  -0.00034  -0.00008  -0.00042   2.93449
   A334       2.87794   0.00000  -0.00028  -0.00017  -0.00046   2.87748
   A335       3.23650   0.00000   0.00022  -0.00001   0.00020   3.23670
   A336       3.08035   0.00000   0.00020   0.00005   0.00025   3.08060
   A337       3.10409   0.00000  -0.00029  -0.00006  -0.00034   3.10374
   A338       3.05647   0.00000   0.00062   0.00010   0.00072   3.05720
    D1        2.76069   0.00000   0.00004  -0.00004   0.00000   2.76069
    D2       -1.35746   0.00000   0.00001   0.00002   0.00003  -1.35743
    D3        2.78637   0.00000   0.00021  -0.00006   0.00015   2.78651
    D4       -1.33178   0.00000   0.00017   0.00000   0.00018  -1.33161
    D5        1.65835   0.00000   0.00013  -0.00007   0.00005   1.65840
    D6       -2.45980   0.00000   0.00009  -0.00001   0.00008  -2.45972
    D7        1.82776   0.00000   0.00025  -0.00006   0.00019   1.82794
    D8       -2.29039   0.00000   0.00021   0.00000   0.00022  -2.29018
    D9        0.22983   0.00000  -0.00090   0.00013  -0.00077   0.22906
   D10        2.39486   0.00000  -0.00093   0.00019  -0.00074   2.39412
   D11       -0.03708   0.00000  -0.00067   0.00001  -0.00066  -0.03774
   D12        2.12796   0.00000  -0.00071   0.00008  -0.00063   2.12732
   D13       -0.50477   0.00000  -0.00060  -0.00001  -0.00061  -0.50537
   D14        1.66027   0.00000  -0.00064   0.00006  -0.00058   1.65969
   D15       -0.60890   0.00000  -0.00031  -0.00008  -0.00040  -0.60929
   D16        1.55614   0.00000  -0.00035  -0.00002  -0.00037   1.55577
   D17        0.16265   0.00000  -0.00056  -0.00009  -0.00065   0.16200
   D18        2.32768   0.00000  -0.00059  -0.00002  -0.00062   2.32707
   D19        0.10567   0.00000  -0.00050  -0.00018  -0.00068   0.10499
   D20        2.27070   0.00000  -0.00053  -0.00012  -0.00065   2.27005
   D21        2.36234   0.00000   0.00023   0.00010   0.00033   2.36267
   D22       -1.75581   0.00000   0.00020   0.00017   0.00036  -1.75545
   D23        2.12247   0.00000   0.00027   0.00006   0.00033   2.12280
   D24       -1.99568   0.00000   0.00023   0.00013   0.00036  -1.99532
   D25        1.67402   0.00000   0.00008   0.00007   0.00015   1.67416
   D26       -2.44413   0.00000   0.00004   0.00013   0.00018  -2.44396
   D27        1.36488   0.00000  -0.00003   0.00008   0.00005   1.36493
   D28       -2.75327   0.00000  -0.00007   0.00014   0.00008  -2.75319
   D29        2.34274   0.00000   0.00039   0.00002   0.00041   2.34315
   D30       -1.77541   0.00000   0.00035   0.00009   0.00044  -1.77497
   D31       -1.75088   0.00000  -0.00030   0.00008  -0.00022  -1.75110
   D32        0.41415   0.00000  -0.00034   0.00015  -0.00019   0.41396
   D33       -2.10548   0.00000  -0.00012   0.00006  -0.00006  -2.10554
   D34        0.05955   0.00000  -0.00016   0.00013  -0.00003   0.05953
   D35       -2.47930   0.00000  -0.00034   0.00005  -0.00029  -2.47959
   D36       -0.31426   0.00000  -0.00037   0.00012  -0.00026  -0.31452
   D37       -2.77227   0.00000  -0.00022  -0.00001  -0.00022  -2.77249
   D38       -0.60723   0.00000  -0.00025   0.00006  -0.00019  -0.60743
   D39       -2.13712   0.00000   0.00031   0.00004   0.00035  -2.13677
   D40        0.02792   0.00000   0.00028   0.00010   0.00038   0.02830
   D41       -2.38349   0.00000   0.00027  -0.00001   0.00027  -2.38322
   D42       -0.21845   0.00000   0.00024   0.00006   0.00030  -0.21816
   D43        1.26373   0.00000  -0.00019   0.00001  -0.00017   1.26356
   D44       -1.97517   0.00000  -0.00016   0.00027   0.00011  -1.97506
   D45        2.44768   0.00000  -0.00006   0.00001  -0.00005   2.44763
   D46       -0.79122   0.00000  -0.00003   0.00027   0.00024  -0.79098
   D47        2.92367   0.00000   0.00004   0.00002   0.00007   2.92374
   D48       -0.31523   0.00000   0.00007   0.00028   0.00036  -0.31487
   D49        2.86144   0.00000  -0.00113  -0.00019  -0.00133   2.86011
   D50       -0.37747   0.00000  -0.00110   0.00006  -0.00104  -0.37850
   D51        1.95141   0.00000  -0.00161   0.00002  -0.00159   1.94982
   D52       -1.28749   0.00000  -0.00158   0.00027  -0.00130  -1.28879
   D53        1.02226   0.00000  -0.00128   0.00007  -0.00121   1.02105
   D54       -2.21664   0.00000  -0.00125   0.00033  -0.00092  -2.21756
   D55        0.94792   0.00000  -0.00052  -0.00006  -0.00058   0.94734
   D56       -2.29098   0.00000  -0.00049   0.00020  -0.00029  -2.29127
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   D279      -1.84710   0.00000  -0.00033  -0.00013  -0.00046  -1.84756
   D280       0.77244   0.00000   0.00081  -0.00015   0.00066   0.77310
   D281      -2.61368   0.00000  -0.00008  -0.00015  -0.00023  -2.61391
   D282       0.75659   0.00000   0.00094  -0.00016   0.00078   0.75737
   D283      -2.62953   0.00000   0.00004  -0.00015  -0.00011  -2.62964
   D284       1.55718   0.00000  -0.00076  -0.00001  -0.00078   1.55640
   D285      -2.66034   0.00000  -0.00113  -0.00007  -0.00120  -2.66154
   D286       1.61118   0.00000  -0.00062   0.00000  -0.00062   1.61056
   D287      -2.60634   0.00000  -0.00099  -0.00006  -0.00104  -2.60738
   D288       1.29051   0.00000  -0.00056   0.00003  -0.00053   1.28998
   D289      -2.92701   0.00000  -0.00093  -0.00003  -0.00095  -2.92796
   D290       1.19651   0.00000  -0.00060   0.00005  -0.00054   1.19596
   D291      -3.02101   0.00000  -0.00096   0.00000  -0.00097  -3.02198
   D292       2.00456   0.00000  -0.00055   0.00004  -0.00050   2.00405
   D293      -2.21296   0.00000  -0.00091  -0.00001  -0.00093  -2.21389
   D294       1.99185   0.00000  -0.00065   0.00006  -0.00060   1.99126
   D295      -2.22566   0.00000  -0.00102   0.00000  -0.00102  -2.22668
   D296      -2.26638   0.00000  -0.00011  -0.00016  -0.00027  -2.26666
   D297      -0.20072   0.00000  -0.00048  -0.00022  -0.00070  -0.20141
   D298      -2.25143   0.00000   0.00002  -0.00004  -0.00002  -2.25145
   D299      -0.18576   0.00000  -0.00035  -0.00009  -0.00044  -0.18620
   D300      -1.86599   0.00000   0.00012   0.00002   0.00014  -1.86585
   D301       0.19968   0.00000  -0.00025  -0.00003  -0.00028   0.19940
   D302      -1.81253   0.00000   0.00003   0.00013   0.00015  -1.81238
   D303       0.25314   0.00000  -0.00034   0.00007  -0.00027   0.25287
   D304      -2.60445   0.00000   0.00011   0.00002   0.00013  -2.60432
   D305      -0.53878   0.00000  -0.00026  -0.00003  -0.00029  -0.53907
   D306      -2.73292   0.00000   0.00020   0.00012   0.00032  -2.73260
   D307      -0.66725   0.00000  -0.00016   0.00006  -0.00010  -0.66735
   D308       1.52717   0.00000  -0.00052  -0.00014  -0.00066   1.52651
   D309      -2.69035   0.00000  -0.00089  -0.00019  -0.00108  -2.69143
   D310       2.62955   0.00000  -0.00036  -0.00008  -0.00045   2.62910
   D311      -1.58797   0.00000  -0.00073  -0.00014  -0.00087  -1.58884
   D312       3.02010   0.00000  -0.00026  -0.00006  -0.00032   3.01978
   D313      -1.19742   0.00000  -0.00062  -0.00012  -0.00074  -1.19816
   D314      -0.53978   0.00000   0.00011  -0.00024  -0.00013  -0.53991
   D315       1.52589   0.00000  -0.00025  -0.00030  -0.00055   1.52534
   D316      -0.37118   0.00000  -0.00018  -0.00022  -0.00040  -0.37158
   D317       1.69449   0.00000  -0.00055  -0.00027  -0.00082   1.69367
   D318       0.05859   0.00000  -0.00020  -0.00018  -0.00038   0.05822
   D319       2.12426   0.00000  -0.00057  -0.00023  -0.00080   2.12346
   D320       0.20083   0.00000  -0.00040  -0.00009  -0.00049   0.20034
   D321       2.26650   0.00000  -0.00076  -0.00015  -0.00091   2.26558
   D322      -0.61032   0.00000  -0.00041  -0.00019  -0.00059  -0.61091
   D323       1.45535   0.00000  -0.00077  -0.00024  -0.00102   1.45433
   D324      -0.65335   0.00000  -0.00027  -0.00022  -0.00050  -0.65384
   D325       1.41232   0.00000  -0.00064  -0.00028  -0.00092   1.41140
   D326       0.10431   0.00000  -0.00085   0.00001  -0.00084   0.10347
   D327       2.27017   0.00000  -0.00090   0.00001  -0.00089   2.26928
   D328       0.41057   0.00000  -0.00081   0.00000  -0.00080   0.40977
   D329       2.57643   0.00000  -0.00086   0.00001  -0.00085   2.57557
   D330       0.78497   0.00000  -0.00090   0.00000  -0.00090   0.78407
   D331       2.95083   0.00000  -0.00096   0.00001  -0.00095   2.94988
   D332       1.06703   0.00000  -0.00098   0.00003  -0.00095   1.06608
   D333      -3.05030   0.00000  -0.00104   0.00004  -0.00100  -3.05130
   D334       0.34469   0.00000  -0.00060  -0.00007  -0.00067   0.34403
   D335       2.51055   0.00000  -0.00066  -0.00006  -0.00072   2.50983
   D336       0.74221   0.00000  -0.00073   0.00009  -0.00065   0.74156
   D337       2.90807   0.00000  -0.00079   0.00009  -0.00070   2.90737
   D338      -2.31538   0.00000  -0.00052   0.00007  -0.00045  -2.31583
   D339      -0.14952   0.00000  -0.00057   0.00008  -0.00050  -0.15002
   D340      -1.94046   0.00000  -0.00056   0.00005  -0.00051  -1.94096
   D341       0.22540   0.00000  -0.00062   0.00006  -0.00056   0.22484
   D342      -1.86989   0.00000  -0.00066   0.00002  -0.00064  -1.87053
   D343       0.29596   0.00000  -0.00072   0.00003  -0.00069   0.29527
   D344      -1.55226   0.00000  -0.00058   0.00005  -0.00053  -1.55278
   D345       0.61360   0.00000  -0.00063   0.00006  -0.00058   0.61303
   D346      -1.59142   0.00000  -0.00055   0.00004  -0.00051  -1.59192
   D347       0.57444   0.00000  -0.00061   0.00005  -0.00056   0.57388
   D348      -1.28980   0.00000  -0.00062   0.00004  -0.00058  -1.29038
   D349       0.87606   0.00000  -0.00067   0.00004  -0.00063   0.87543
   D350       1.91098   0.00000  -0.00101   0.00020  -0.00081   1.91017
   D351      -2.20635   0.00000  -0.00106   0.00021  -0.00086  -2.20721
   D352       2.36551   0.00000  -0.00114   0.00023  -0.00091   2.36460
   D353      -1.75182   0.00000  -0.00120   0.00024  -0.00096  -1.75277
   D354       2.69035   0.00000  -0.00155   0.00031  -0.00125   2.68911
   D355      -1.42697   0.00000  -0.00161   0.00031  -0.00130  -1.42827
   D356      -2.99187   0.00000  -0.00132  -0.00001  -0.00133  -2.99321
   D357      -0.82602   0.00000  -0.00138  -0.00001  -0.00138  -0.82740
   D358       2.65342   0.00000  -0.00092   0.00011  -0.00081   2.65261
   D359      -1.46391   0.00000  -0.00098   0.00012  -0.00086  -1.46477
   D360       1.65049   0.00000  -0.00010   0.00003  -0.00007   1.65042
   D361      -2.46683   0.00000  -0.00016   0.00004  -0.00012  -2.46696
   D362       1.82544   0.00000  -0.00004   0.00003  -0.00001   1.82542
   D363      -2.29189   0.00000  -0.00010   0.00003  -0.00007  -2.29195
   D364       2.75698   0.00000  -0.00016   0.00003  -0.00013   2.75685
   D365      -1.36034   0.00000  -0.00021   0.00003  -0.00018  -1.36053
   D366       2.76430   0.00000  -0.00056   0.00008  -0.00048   2.76382
   D367      -1.35303   0.00000  -0.00061   0.00009  -0.00053  -1.35356
   D368       0.08713   0.00000  -0.00110   0.00024  -0.00086   0.08627
   D369      -2.32541   0.00000  -0.00184   0.00163  -0.00021  -2.32562
   D370       0.48739   0.00000  -0.00110   0.00024  -0.00086   0.48653
   D371      -1.92515   0.00000  -0.00184   0.00162  -0.00022  -1.92536
   D372       0.69965   0.00000  -0.00124   0.00021  -0.00103   0.69862
   D373      -1.71289   0.00000  -0.00198   0.00160  -0.00038  -1.71327
   D374       0.96691   0.00000  -0.00136   0.00020  -0.00117   0.96574
   D375      -1.44563   0.00000  -0.00210   0.00158  -0.00052  -1.44615
   D376       0.73254   0.00000  -0.00091   0.00025  -0.00066   0.73188
   D377      -1.67999   0.00000  -0.00165   0.00164  -0.00001  -1.68000
   D378       1.07471   0.00000  -0.00095   0.00030  -0.00065   1.07406
   D379      -1.33783   0.00000  -0.00169   0.00169  -0.00001  -1.33783
   D380      -2.67161   0.00000  -0.00063   0.00020  -0.00043  -2.67204
   D381       1.19904   0.00000  -0.00137   0.00159   0.00022   1.19926
   D382      -2.15889   0.00000  -0.00070   0.00019  -0.00052  -2.15940
   D383       1.71176   0.00000  -0.00144   0.00157   0.00013   1.71189
   D384      -1.91820   0.00000  -0.00067   0.00012  -0.00056  -1.91875
   D385       1.95245   0.00000  -0.00141   0.00150   0.00009   1.95254
   D386      -1.59094   0.00000  -0.00059   0.00010  -0.00049  -1.59143
   D387       2.27971   0.00000  -0.00133   0.00149   0.00016   2.27987
   D388      -1.72665   0.00000  -0.00095   0.00015  -0.00081  -1.72746
   D389       2.14400   0.00000  -0.00170   0.00153  -0.00016   2.14383
   D390      -1.17391   0.00000  -0.00114   0.00001  -0.00113  -1.17504
   D391       2.69674   0.00000  -0.00188   0.00140  -0.00048   2.69626
   D392       1.82789   0.00000  -0.00082   0.00023  -0.00059   1.82731
   D393      -0.58464   0.00000  -0.00156   0.00162   0.00006  -0.58458
   D394       2.13993   0.00000  -0.00076   0.00030  -0.00046   2.13947
   D395      -0.27260   0.00000  -0.00150   0.00168   0.00018  -0.27242
   D396       2.11399   0.00000  -0.00076   0.00037  -0.00039   2.11360
   D397      -0.29855   0.00000  -0.00150   0.00176   0.00026  -0.29829
   D398       2.35080   0.00000  -0.00073   0.00041  -0.00032   2.35048
   D399      -0.06173   0.00000  -0.00148   0.00180   0.00032  -0.06141
   D400       2.52965   0.00000  -0.00076   0.00026  -0.00050   2.52916
   D401       0.11712   0.00000  -0.00150   0.00165   0.00015   0.11727
   D402      -1.53285   0.00000  -0.00014   0.00008  -0.00006  -1.53292
   D403       2.33780   0.00000  -0.00088   0.00146   0.00058   2.33838
   D404      -2.62596   0.00000  -0.00015   0.00015  -0.00001  -2.62596
   D405       1.24469   0.00000  -0.00090   0.00154   0.00064   1.24533
   D406      -2.97158   0.00000  -0.00053   0.00017  -0.00036  -2.97194
   D407       0.89907   0.00000  -0.00127   0.00156   0.00029   0.89935
   D408       1.92238   0.00000  -0.00067   0.00001  -0.00066   1.92171
   D409       2.43125   0.00000  -0.00080   0.00010  -0.00070   2.43054
   D410       2.65774   0.00000  -0.00067   0.00008  -0.00059   2.65715
   D411       2.88495   0.00000  -0.00073   0.00010  -0.00063   2.88432
   D412       2.88657   0.00000  -0.00106   0.00032  -0.00074   2.88583
   D413      -2.90129   0.00000  -0.00096   0.00036  -0.00060  -2.90189
   D414      -0.70845   0.00000   0.00008   0.00003   0.00011  -0.70835
   D415      -0.33286   0.00000   0.00013   0.00005   0.00018  -0.33268
   D416      -0.00559   0.00000   0.00009   0.00003   0.00012  -0.00547
   D417       0.29919   0.00000   0.00008   0.00004   0.00012   0.29931
   D418      -0.22258   0.00000   0.00023   0.00009   0.00032  -0.22226
   D419       0.06976   0.00000   0.00022   0.00011   0.00033   0.07009
   D420      -2.52533   0.00000  -0.00041   0.00000  -0.00042  -2.52575
   D421      -2.14469   0.00000  -0.00038   0.00002  -0.00036  -2.14505
   D422      -1.88149   0.00000  -0.00032   0.00005  -0.00027  -1.88175
   D423      -1.56461   0.00000  -0.00025   0.00001  -0.00023  -1.56485
   D424      -1.95016   0.00000  -0.00035  -0.00002  -0.00037  -1.95052
   D425       1.29508   0.00000   0.00041  -0.00009   0.00033   1.29541
   D426       2.46893   0.00000   0.00046  -0.00001   0.00044   2.46937
   D427       2.94654   0.00000   0.00052   0.00001   0.00053   2.94707
   D428      -3.05013  -0.00001   0.00023  -0.00039  -0.00016  -3.05029
   D429       0.02590  -0.00001  -0.00025   0.00008  -0.00017   0.02573
   D430       0.06123   0.00000   0.00029  -0.00035  -0.00005   0.06118
   D431       3.13726   0.00000  -0.00019   0.00013  -0.00006   3.13719
   D432      -0.12075   0.00000  -0.00055   0.00045  -0.00011  -0.12085
   D433       1.97785   0.00000  -0.00061   0.00047  -0.00014   1.97771
   D434      -2.21790   0.00000  -0.00051   0.00042  -0.00009  -2.21799
   D435       3.08307   0.00000  -0.00010   0.00000  -0.00010   3.08297
   D436      -1.10152   0.00000  -0.00016   0.00003  -0.00013  -1.10165
   D437       0.98591   0.00000  -0.00006  -0.00002  -0.00008   0.98583
   D438      -2.33570   0.00000   0.00023  -0.00028  -0.00006  -2.33575
   D439      -0.24435  -0.00001   0.00019  -0.00032  -0.00013  -0.24448
   D440       1.86360   0.00000   0.00022  -0.00031  -0.00008   1.86352
   D441       0.74348   0.00000  -0.00023   0.00016  -0.00006   0.74341
   D442       2.83483  -0.00001  -0.00027   0.00013  -0.00014   2.83469
   D443      -1.34041   0.00000  -0.00023   0.00014  -0.00009  -1.34050
   D444       0.00440   0.00001   0.00033   0.00000   0.00034   0.00474
   D445       3.11171   0.00001   0.00056   0.00009   0.00066   3.11237
   D446      -3.11468   0.00001   0.00040   0.00004   0.00045  -3.11423
   D447      -0.00738   0.00001   0.00063   0.00013   0.00076  -0.00661
   D448       2.43016   0.00000   0.00068   0.00010   0.00077   2.43093
   D449      -1.76967   0.00000   0.00067   0.00012   0.00079  -1.76888
   D450       0.33826   0.00000   0.00072   0.00012   0.00084   0.33910
   D451      -0.67877   0.00000   0.00046   0.00001   0.00047  -0.67831
   D452       1.40458   0.00000   0.00045   0.00003   0.00048   1.40507
   D453      -2.77068   0.00000   0.00050   0.00004   0.00053  -2.77014
   D454       2.04794   0.00000  -0.00050  -0.00018  -0.00067   2.04727
   D455      -2.15152   0.00000  -0.00048  -0.00015  -0.00063  -2.15214
   D456      -0.05831   0.00000  -0.00041  -0.00018  -0.00059  -0.05889
   D457      -1.12630   0.00000  -0.00028  -0.00009  -0.00037  -1.12667
   D458       0.95742   0.00000  -0.00025  -0.00007  -0.00032   0.95710
   D459       3.05063   0.00000  -0.00019  -0.00009  -0.00028   3.05035
   D460      -3.08672  -0.00001  -0.00007  -0.00015  -0.00022  -3.08695
   D461      -0.02246   0.00000   0.00032   0.00002   0.00034  -0.02212
   D462       0.06888   0.00000  -0.00004  -0.00023  -0.00027   0.06862
   D463       3.13315   0.00001   0.00035  -0.00005   0.00030   3.13345
   D464       1.91526   0.00001   0.00050   0.00019   0.00069   1.91596
   D465      -2.28545   0.00000   0.00037   0.00018   0.00055  -2.28490
   D466      -0.19287   0.00001   0.00047   0.00015   0.00063  -0.19224
   D467      -1.15206   0.00001   0.00012   0.00002   0.00014  -1.15192
   D468       0.93041   0.00000  -0.00002   0.00002   0.00000   0.93041
   D469       3.02299   0.00000   0.00009  -0.00001   0.00007   3.02306
   D470      -1.63232   0.00000  -0.00135  -0.00048  -0.00183  -1.63414
   D471       0.47231  -0.00001  -0.00128  -0.00047  -0.00175   0.47056
   D472       2.56284  -0.00001  -0.00127  -0.00046  -0.00173   2.56111
   D473       1.43542   0.00000  -0.00096  -0.00031  -0.00128   1.43415
   D474      -2.74313   0.00000  -0.00090  -0.00030  -0.00120  -2.74433
   D475      -0.65261   0.00000  -0.00088  -0.00030  -0.00118  -0.65379
   D476       0.01561   0.00000   0.00025  -0.00010   0.00016   0.01577
   D477      -3.02104  -0.00001  -0.00046  -0.00006  -0.00052  -3.02156
   D478       3.12900   0.00000   0.00014  -0.00011   0.00003   3.12902
   D479       0.09234   0.00000  -0.00058  -0.00007  -0.00065   0.09169
   D480      -0.27533  -0.00001  -0.00055   0.00015  -0.00040  -0.27573
   D481       1.83289   0.00000  -0.00056   0.00016  -0.00040   1.83249
   D482      -2.36772   0.00000  -0.00060   0.00023  -0.00037  -2.36809
   D483       2.76666   0.00000   0.00014   0.00011   0.00025   2.76691
   D484      -1.40831   0.00000   0.00013   0.00012   0.00025  -1.40806
   D485       0.67427   0.00000   0.00009   0.00019   0.00028   0.67455
   D486      -0.11341   0.00000   0.00154   0.00004   0.00158  -0.11184
   D487       1.98301   0.00000   0.00162   0.00003   0.00166   1.98466
   D488      -2.21584   0.00000   0.00160   0.00005   0.00166  -2.21419
   D489       3.12766   0.00000   0.00086   0.00008   0.00093   3.12859
   D490      -1.05911   0.00000   0.00094   0.00007   0.00101  -1.05809
   D491       1.02523   0.00000   0.00092   0.00009   0.00101   1.02624
         Item               Value     Threshold  Converged?
 Maximum Force            0.000014     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.003387     0.001800     NO 
 RMS     Displacement     0.000540     0.001200     YES
 Predicted change in Energy=-1.057546D-07
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 06:02:00 2016, MaxMem=  2952790016 cpu:        10.4
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.783370   -0.576687    1.629922
      2          6           0       -2.040851    1.108556   -1.409103
      3          8           0       -2.558350    0.119923   -1.957133
      4          7           0       -0.754058    1.188029   -0.972447
      5          1           0       -2.617360    2.031311   -1.197135
      6          6           0       -0.265537    2.354955   -0.236992
      7          1           0       -1.038613    3.135988   -0.228790
      8          1           0       -0.022176    2.070652    0.799710
      9          1           0        0.644392    2.747182   -0.719307
     10          6           0        0.189515    0.080599   -1.141852
     11          1           0        0.728901   -0.086015   -0.196239
     12          1           0       -0.361312   -0.829203   -1.413634
     13          1           0        0.923951    0.319238   -1.928683
     14          6           0       -2.084373   -3.938282    2.694222
     15          8           0       -2.232797   -3.738957    3.911943
     16          7           0       -2.992145   -3.634264    1.727113
     17          1           0       -1.155006   -4.376800    2.279193
     18          6           0       -4.279842   -3.012360    2.048437
     19          1           0       -4.503709   -2.245154    1.290858
     20          1           0       -5.087154   -3.763641    2.039720
     21          1           0       -4.221656   -2.546832    3.040450
     22          6           0       -2.714093   -3.873526    0.310458
     23          1           0       -3.427120   -4.606508   -0.101417
     24          1           0       -2.818718   -2.930215   -0.250949
     25          1           0       -1.689567   -4.253371    0.193271
     26          6           0        1.610535    0.360396    2.574014
     27          8           0        1.463720    1.389055    3.255331
     28          7           0        1.206577   -0.888891    2.932903
     29          1           0        2.088427    0.379988    1.574712
     30          6           0        1.481964   -2.056671    2.094391
     31          1           0        2.233310   -2.706277    2.574193
     32          1           0        0.557452   -2.640529    1.955148
     33          1           0        1.852528   -1.725944    1.114235
     34          6           0        0.559333   -1.134878    4.224001
     35          1           0        1.300863   -1.438618    4.982609
     36          1           0        0.052993   -0.219733    4.556105
     37          1           0       -0.177104   -1.942480    4.105865
     38          6           0       -4.602189    0.974410    2.911323
     39          8           0       -4.854986    1.526470    1.826412
     40          7           0       -3.545314    1.267349    3.717629
     41          1           0       -5.225349    0.149335    3.310427
     42          6           0       -2.580135    2.316176    3.374933
     43          1           0       -2.684359    2.578819    2.314282
     44          1           0       -2.748037    3.211632    3.995540
     45          1           0       -1.561880    1.942395    3.563859
     46          6           0       -3.239983    0.468199    4.904886
     47          1           0       -4.034932   -0.272095    5.069271
     48          1           0       -2.278100   -0.054415    4.763966
     49          1           0       -3.159516    1.121819    5.788247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484538   0.000000
     3  O    3.735347   1.243196   0.000000
     4  N    3.308478   1.361183   2.316447   0.000000
     5  H    3.935663   1.108499   2.057786   2.057547   0.000000
     6  C    3.792586   2.465582   3.634727   1.463306   2.560798
     7  H    4.218226   2.551098   3.793866   2.104410   2.156489
     8  H    3.286253   3.143172   4.223471   2.110738   3.274739
     9  H    4.739305   3.220473   4.323455   2.109669   3.373399
    10  C    3.465116   2.470354   2.866529   1.464728   3.418607
    11  H    3.144381   3.251086   3.734859   2.103534   4.084400
    12  H    3.368864   2.564328   2.454222   2.101932   3.649542
    13  H    4.560256   3.111757   3.488117   2.117758   4.000904
    14  C    3.538878   6.504594   6.191024   6.441526   7.145822
    15  O    3.925501   7.200608   7.031571   7.093598   7.716642
    16  N    3.289279   5.764994   5.277856   5.962480   6.386739
    17  H    3.906054   6.669136   6.335325   6.457650   7.435538
    18  C    3.512838   5.826629   5.368363   6.261003   6.223841
    19  H    3.209204   4.960124   4.464018   5.564995   5.294957
    20  H    4.608644   6.701690   6.119784   7.236567   7.082272
    21  H    3.437484   6.157620   5.903728   6.486660   6.441295
    22  C    3.671018   5.313312   4.594982   5.577357   6.095022
    23  H    4.683898   6.024428   5.151464   6.440544   6.776204
    24  H    3.185704   4.272946   3.504596   4.662972   5.054953
    25  H    3.948515   5.607251   4.950224   5.642952   6.503173
    26  C    3.645275   5.455051   6.161876   4.342080   5.906658
    27  O    4.129127   5.841030   6.705036   4.778394   6.073891
    28  N    3.276433   5.778286   6.253385   4.838331   6.340921
    29  H    3.988620   5.146348   5.842439   3.901368   5.705649
    30  C    3.615037   5.890955   6.121809   4.993332   6.659594
    31  H    4.643331   6.977681   7.174979   6.055463   7.758650
    32  H    3.137621   5.667891   5.712640   4.994870   6.468570
    33  H    3.847919   5.436913   5.682990   4.431679   6.280071
    34  C    3.539645   6.597409   7.035687   5.841572   7.035968
    35  H    4.636371   7.649126   8.092131   6.825296   8.098279
    36  H    3.473067   6.460049   7.025435   5.761771   6.730360
    37  H    3.252042   6.572461   6.832553   5.993515   7.061705
    38  C    3.463182   5.024393   5.348765   5.471509   4.683590
    39  O    3.727828   4.308430   4.644149   4.976521   3.795217
    40  N    3.295973   5.345279   5.873126   5.458408   5.059609
    41  H    3.898516   5.773655   5.904315   6.278084   5.537288
    42  C    3.471103   4.963484   5.766708   4.848400   4.581085
    43  H    3.352215   4.054549   4.930216   4.057455   3.554477
    44  H    4.569255   5.842363   6.710362   5.722920   5.326735
    45  H    3.183543   5.065081   5.898788   4.669016   4.877397
    46  C    3.733484   6.458671   6.904580   6.421917   6.329742
    47  H    4.122066   6.917506   7.190572   7.028403   6.825177
    48  H    3.215549   6.286141   6.729197   6.064058   6.324561
    49  H    4.697912   7.283779   7.833014   7.176183   7.065174
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098965   0.000000
     8  H    1.102181   1.796078   0.000000
     9  H    1.102017   1.795629   1.791485   0.000000
    10  C    2.489687   3.417218   2.788331   2.737905   0.000000
    11  H    2.636077   3.675115   2.491434   2.882316   1.101309
    12  H    3.395956   4.193486   3.663750   3.779426   1.097732
    13  H    2.901869   3.830844   3.377386   2.726839   1.102474
    14  C    7.176699   7.725471   6.629414   7.987100   6.003119
    15  O    7.630173   8.113977   6.951576   8.473293   6.782142
    16  N    6.867521   7.312876   6.498220   7.741591   5.670461
    17  H    7.241469   7.921206   6.711320   7.935992   5.777516
    18  C    7.081377   7.313926   6.747151   8.067268   6.302340
    19  H    6.438744   6.578215   6.241117   7.447626   5.775254
    20  H    8.115949   8.315149   7.824999   9.102399   7.262494
    21  H    7.100705   7.287945   6.631569   8.114234   6.622195
    22  C    6.714842   7.227123   6.543626   7.494906   5.116175
    23  H    7.646957   8.103544   7.549181   8.428271   6.010950
    24  H    5.869578   6.322031   5.825221   6.666733   4.348353
    25  H    6.773697   7.429973   6.568199   7.435584   4.908850
    26  C    3.924241   4.751589   2.956159   4.180448   3.988138
    27  O    4.014924   4.631689   2.950006   4.279434   4.761394
    28  N    4.768426   5.588992   3.849577   5.184179   4.310216
    29  H    3.567060   4.541644   2.813115   3.598801   3.327946
    30  C    5.286923   6.222072   4.579676   5.629869   4.087985
    31  H    6.305796   7.259080   5.572706   6.565974   5.074718
    32  H    5.517033   6.378492   4.885308   6.015621   4.139001
    33  H    4.792260   5.813845   4.245890   4.983004   3.334538
    34  C    5.723618   6.373466   4.726452   6.286010   5.514212
    35  H    6.639958   7.318391   5.618012   7.103783   6.407195
    36  H    5.450161   5.945392   4.400229   6.081308   5.707500
    37  H    6.110334   6.732182   5.201913   6.778649   5.636116
    38  C    5.533926   5.218410   5.161121   6.621995   6.339365
    39  O    5.099712   4.623755   4.970543   6.181746   6.028940
    40  N    5.251557   5.034838   4.644572   6.279327   6.242746
    41  H    6.484495   6.242990   6.088364   7.579013   7.010583
    42  C    4.290089   4.004398   3.638023   5.229354   5.750662
    43  H    3.522756   3.079957   3.104735   4.506839   5.142481
    44  H    4.981066   4.557721   4.352640   5.827012   6.695175
    45  H    4.036976   4.010319   3.166648   4.884755   5.355127
    46  C    6.232663   6.190134   5.456612   7.205115   6.962380
    47  H    7.018986   6.975845   6.310296   8.032419   7.519867
    48  H    5.904663   6.053314   5.031940   6.815878   6.402034
    49  H    6.797003   6.690280   5.968977   7.711018   7.767009
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795256   0.000000
    13  H    1.789871   1.798915   0.000000
    14  C    5.577565   5.432292   6.967621   0.000000
    15  O    6.244422   6.350661   7.781190   1.242822   0.000000
    16  N    5.489584   4.965274   6.658141   1.360799   2.315394
    17  H    5.299784   5.181927   6.639357   1.108274   2.057754
    18  C    6.220094   5.666303   7.348231   2.468695   2.861992
    19  H    5.852653   5.145741   6.811832   3.269450   3.776054
    20  H    7.235395   6.547531   8.279584   3.078241   3.413676
    21  H    6.406230   6.139329   7.706096   2.573710   2.477140
    22  C    5.143558   4.216156   5.985682   2.466388   3.635993
    23  H    6.141364   5.038762   6.821561   3.172552   4.276226
    24  H    4.547314   3.435830   5.232715   3.198357   4.281009
    25  H    4.834001   4.008907   5.678198   2.551452   3.793183
    26  C    2.941235   4.604852   4.554928   5.669694   5.776327
    27  O    3.824803   5.481846   5.320700   6.425288   6.355461
    28  N    3.265626   4.621063   5.017417   4.492895   4.572820
    29  H    2.280732   4.048898   3.692353   6.108439   6.411032
    30  C    3.114093   4.148564   4.705470   4.076643   4.464642
    31  H    4.099306   5.114512   5.580686   4.491618   4.775156
    32  H    3.344159   3.933665   4.896804   3.034738   3.580653
    33  H    2.381018   3.477838   3.782113   4.784349   5.345023
    34  C    4.546140   5.720485   6.332687   4.145900   3.830744
    35  H    5.383042   6.636727   7.141294   4.790080   4.350246
    36  H    4.802031   6.015055   6.565175   4.675741   4.245553
    37  H    4.772359   5.633666   6.537849   3.100587   2.736934
    38  C    6.261147   6.320072   7.375170   5.524588   5.369460
    39  O    6.153943   6.019983   6.996732   6.188126   6.240997
    40  N    5.951376   6.392438   7.263201   5.502755   5.179147
    41  H    6.914130   6.850777   8.080287   5.191729   4.943279
    42  C    5.428951   6.143855   6.662936   6.310895   6.088815
    43  H    5.005437   5.559543   6.010687   6.555680   6.532284
    44  H    6.366678   7.161282   7.546247   7.297613   6.970162
    45  H    4.847727   5.822246   6.243557   5.967548   5.731410
    46  C    6.486962   7.063547   8.003637   5.063551   4.438527
    47  H    7.103121   7.472209   8.597183   4.783980   4.075074
    48  H    5.800576   6.514377   7.428613   4.405201   3.782043
    49  H    7.238282   7.968910   8.767545   6.027732   5.292114
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056995   0.000000
    18  C    1.465667   3.417535   0.000000
    19  H    2.098756   4.090787   1.101203   0.000000
    20  H    2.122152   3.986866   1.102838   1.790812   0.000000
    21  H    2.102156   3.651388   1.097356   1.797675   1.797546
    22  C    1.463376   2.561240   2.492739   2.610652   2.938340
    23  H    2.116125   3.298874   2.808971   2.945075   2.837359
    24  H    2.106773   3.355914   2.725584   2.384465   3.329800
    25  H    2.105391   2.156863   3.419251   3.627262   3.897795
    26  C    6.152984   5.493284   6.807955   6.769000   7.883666
    27  O    6.886502   6.407468   7.336044   7.257881   8.422703
    28  N    5.159483   4.262619   5.949134   6.094516   6.976605
    29  H    6.476855   5.800275   7.230995   7.101282   8.299088
    30  C    4.758292   3.517210   5.840708   6.042307   6.787492
    31  H    5.374391   3.789243   6.541503   6.873646   7.415718
    32  H    3.693121   2.460113   4.852461   5.119859   5.755876
    33  H    5.242915   4.174857   6.335106   6.379854   7.291634
    34  C    5.009429   4.151060   5.628111   5.955707   6.600326
    35  H    5.817992   4.687501   6.498485   6.926225   7.407637
    36  H    5.379134   4.891298   5.732418   5.960512   6.731462
    37  H    4.055250   3.196708   4.712761   5.170628   5.629758
    38  C    5.023393   6.396727   4.091799   3.605717   4.841902
    39  O    5.487551   6.981652   4.580509   3.825619   5.299498
    40  N    5.319207   6.295959   4.652058   4.375548   5.522998
    41  H    4.670086   6.173900   3.533117   3.214498   4.116451
    42  C    6.188118   6.930193   5.748208   5.371148   6.710597
    43  H    6.248352   7.121853   5.820440   5.256248   6.787902
    44  H    7.216069   7.941530   6.698934   6.338312   7.612564
    45  H    6.043047   6.461281   5.850933   5.599684   6.878183
    46  C    5.195177   5.891979   4.621136   4.692599   5.434122
    47  H    4.854030   5.738215   4.085887   4.288253   4.740911
    48  H    4.748437   5.110621   4.486703   4.670669   5.391721
    49  H    6.256289   6.823953   5.686189   5.776666   6.452516
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389058   0.000000
    23  H    3.839906   1.102411   0.000000
    24  H    3.598406   1.102705   1.789545   0.000000
    25  H    4.174946   1.098940   1.797397   1.795287   0.000000
    26  C    6.533298   6.461593   7.563467   6.198936   6.151866
    27  O    6.918155   7.336289   8.434147   7.020638   7.152370
    28  N    5.676799   5.581838   6.670751   5.523306   5.216604
    29  H    7.108573   6.538724   7.622060   6.194397   6.135930
    30  C    5.802290   4.908184   5.951667   4.975898   4.300972
    31  H    6.473747   5.564509   6.542953   5.792629   4.842650
    32  H    4.901686   3.863714   4.896054   4.043426   3.279415
    33  H    6.424941   5.110009   6.135971   5.013435   4.447753
    34  C    5.123696   5.790624   6.830319   5.887244   5.570398
    35  H    5.958048   6.624020   7.631295   6.825389   6.308983
    36  H    5.097570   6.247598   7.283370   6.221028   6.192017
    37  H    4.225962   4.956850   5.946501   5.189949   4.789171
    38  C    3.544098   5.816519   6.450119   5.331682   6.572737
    39  O    4.297300   6.003457   6.585495   5.322016   6.789226
    40  N    3.932428   6.223210   7.007230   5.822121   6.807588
    41  H    2.889568   5.611562   6.123099   5.287617   6.449979
    42  C    5.143473   6.908065   7.792685   6.381893   7.353573
    43  H    5.400269   6.756401   7.616838   6.078480   7.222681
    44  H    6.020271   7.986266   8.852656   7.467258   8.444163
    45  H    5.244190   6.762924   7.733143   6.314644   7.054409
    46  C    3.678344   6.343177   7.130970   6.189452   6.848089
    47  H    3.053753   6.112382   6.774406   6.070380   6.717639
    48  H    3.600009   5.882978   6.761194   5.806192   6.234489
    49  H    4.705054   7.426846   8.220309   7.280591   7.896656
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242531   0.000000
    28  N    1.361140   2.314977   0.000000
    29  H    1.107867   2.057414   2.057279   0.000000
    30  C    2.467546   3.636088   1.463780   2.564210   0.000000
    31  H    3.129270   4.222316   2.117958   3.247304   1.103049
    32  H    3.239990   4.330051   2.108461   3.407659   1.102271
    33  H    2.557798   3.799826   2.103679   2.168556   1.098819
    34  C    2.462382   2.850697   1.465049   3.413456   2.497237
    35  H    3.022198   3.317491   2.124237   3.942252   2.959154
    36  H    2.586730   2.504069   2.100788   3.659421   3.387674
    37  H    3.293245   3.809834   2.097728   4.115000   2.609899
    38  C    6.252098   6.089788   6.100337   6.848665   6.846295
    39  O    6.612230   6.479717   6.618219   7.041928   7.284754
    40  N    5.358469   5.031794   5.276896   6.092499   6.241597
    41  H    6.878675   6.803204   6.526110   7.520454   7.164723
    42  C    4.693427   4.150496   4.980665   5.365174   6.104279
    43  H    4.840968   4.416749   5.248531   5.306723   6.236535
    44  H    5.398836   4.648504   5.795037   6.104916   7.018710
    45  H    3.680588   3.091218   4.009818   4.441009   5.236111
    46  C    5.382575   5.068908   5.049980   6.284091   6.047366
    47  H    6.204647   6.023701   5.693673   7.080444   6.516960
    48  H    4.482124   4.284950   4.023942   5.424629   5.027299
    49  H    5.802107   5.278389   5.590949   6.770901   6.729837
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787747   0.000000
    33  H    1.799312   1.794665   0.000000
    34  C    2.827253   2.722992   3.419409   0.000000
    35  H    2.876957   3.341074   3.918061   1.103454   0.000000
    36  H    3.855471   3.588832   4.165749   1.097344   1.795764
    37  H    2.956265   2.377484   3.621622   1.099326   1.790794
    38  C    7.770789   6.372123   7.223906   5.728310   6.705144
    39  O    8.289708   6.831906   7.488400   6.491999   7.526473
    40  N    7.105606   5.933847   6.698818   4.782806   5.692791
    41  H    8.020484   6.562081   7.644363   5.995529   6.921650
    42  C    7.002533   6.035658   6.410771   4.742041   5.634292
    43  H    7.223798   6.154666   6.368237   5.287732   6.256338
    44  H    7.864839   7.024048   7.338036   5.466538   6.244416
    45  H    6.082192   5.299313   5.578132   3.795384   4.651817
    46  C    6.742875   5.725876   6.716917   4.179505   4.925574
    47  H    7.172274   6.033012   7.240039   4.750384   5.462508
    48  H    5.672768   4.755817   5.759916   3.083826   3.843540
    49  H    7.353029   6.531751   7.421370   4.622703   5.205754
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795416   0.000000
    38  C    5.079567   5.432915   0.000000
    39  O    5.881215   6.253967   1.243265   0.000000
    40  N    3.982746   4.668894   1.361223   2.314970   0.000000
    41  H    5.435883   5.522064   1.108315   2.058147   2.058711
    42  C    3.841791   4.944186   2.470622   2.862952   1.465964
    43  H    4.511181   5.471585   2.570731   2.461113   2.104895
    44  H    4.464780   5.760794   3.101382   3.461809   2.119699
    45  H    2.875267   4.159764   3.256728   3.746499   2.100796
    46  C    3.382098   3.978824   2.467012   3.633892   1.463368
    47  H    4.120341   4.312908   2.555836   3.797823   2.106312
    48  H    2.346173   2.900357   3.145180   4.215301   2.108960
    49  H    3.692986   4.595119   3.221759   4.328336   2.111274
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420018   0.000000
    43  H    3.653948   1.097645   0.000000
    44  H    3.998015   1.102355   1.797536   0.000000
    45  H    4.086600   1.101021   1.796228   1.790050   0.000000
    46  C    2.566253   2.488207   3.387428   2.931783   2.605310
    47  H    2.165233   3.418533   4.188285   3.865923   3.645027
    48  H    3.292502   2.764116   3.619381   3.387977   2.437310
    49  H    3.369420   2.754316   3.796980   2.783961   2.858967
                   46         47         48         49
    46  C    0.000000
    47  H    1.098636   0.000000
    48  H    1.103723   1.796401   0.000000
    49  H    1.101826   1.796184   1.791528   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2165384      0.1953677      0.1844755
 Leave Link  202 at Mon Nov 14 06:02:00 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.4719116700 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1853663831 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.2865452869 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4050
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.39D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     233
 GePol: Fraction of low-weight points (<1% of avg)   =       5.75%
 GePol: Cavity surface area                          =    468.292 Ang**2
 GePol: Cavity volume                                =    458.536 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040326950 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.2825125918 Hartrees.
 Leave Link  301 at Mon Nov 14 06:02:00 2016, MaxMem=  2952790016 cpu:         1.4
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 06:02:01 2016, MaxMem=  2952790016 cpu:        13.8
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 06:02:01 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000449   -0.000115   -0.000076
         Rot=    1.000000    0.000005    0.000014   -0.000009 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 06:02:02 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49207500.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.66D-15 for   2462.
 Iteration    1 A*A^-1 deviation from orthogonality  is 9.32D-15 for   2442    160.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.33D-15 for   2017.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.33D-11 for   1892   1794.
 E= -1013.45147736846    
 DIIS: error= 3.07D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45147736846     IErMin= 1 ErrMin= 3.07D-05
 ErrMax= 3.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-06 BMatP= 1.54D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=6.75D-06 MaxDP=1.83D-04              OVMax= 2.73D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.75D-06    CP:  1.00D+00
 E= -1013.45147982765     Delta-E=       -0.000002459187 Rises=F Damp=F
 DIIS: error= 4.50D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147982765     IErMin= 2 ErrMin= 4.50D-06
 ErrMax= 4.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-08 BMatP= 1.54D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.228D-01 0.977D+00
 Coeff:      0.228D-01 0.977D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.51D-06 MaxDP=7.34D-05 DE=-2.46D-06 OVMax= 1.10D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.48D-06    CP:  1.00D+00  9.63D-01
 E= -1013.45147972086     Delta-E=        0.000000106787 Rises=F Damp=F
 DIIS: error= 1.31D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147982765     IErMin= 2 ErrMin= 4.50D-06
 ErrMax= 1.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-07 BMatP= 2.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.244D-02 0.713D+00 0.285D+00
 Coeff:      0.244D-02 0.713D+00 0.285D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.10D-06 MaxDP=6.07D-05 DE= 1.07D-07 OVMax= 9.71D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.10D-07    CP:  1.00D+00  9.78D-01  3.14D-01
 E= -1013.45147984900     Delta-E=       -0.000000128137 Rises=F Damp=F
 DIIS: error= 2.91D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147984900     IErMin= 4 ErrMin= 2.91D-06
 ErrMax= 2.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-09 BMatP= 2.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.168D-04 0.286D+00 0.168D+00 0.546D+00
 Coeff:     -0.168D-04 0.286D+00 0.168D+00 0.546D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.14D-07 MaxDP=9.80D-06 DE=-1.28D-07 OVMax= 1.65D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.27D-07    CP:  1.00D+00  9.80D-01  3.38D-01  5.91D-01
 E= -1013.45147985191     Delta-E=       -0.000000002909 Rises=F Damp=F
 DIIS: error= 1.30D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147985191     IErMin= 5 ErrMin= 1.30D-06
 ErrMax= 1.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.21D-10 BMatP= 3.93D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.321D-05 0.143D+00 0.929D-01 0.368D+00 0.396D+00
 Coeff:      0.321D-05 0.143D+00 0.929D-01 0.368D+00 0.396D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.14D-08 MaxDP=4.15D-06 DE=-2.91D-09 OVMax= 5.00D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.07D-08    CP:  1.00D+00  9.81D-01  3.35D-01  6.14D-01  6.48D-01
 E= -1013.45147985249     Delta-E=       -0.000000000586 Rises=F Damp=F
 DIIS: error= 8.75D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147985249     IErMin= 6 ErrMin= 8.75D-08
 ErrMax= 8.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.90D-12 BMatP= 6.21D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.163D-04 0.470D-01 0.317D-01 0.131D+00 0.170D+00 0.620D+00
 Coeff:     -0.163D-04 0.470D-01 0.317D-01 0.131D+00 0.170D+00 0.620D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.09D-08 MaxDP=6.22D-07 DE=-5.86D-10 OVMax= 8.00D-07

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.08D-09    CP:  1.00D+00  9.81D-01  3.38D-01  6.18D-01  6.33D-01
                    CP:  8.94D-01
 E= -1013.45147985246     Delta-E=        0.000000000040 Rises=F Damp=F
 DIIS: error= 4.20D-08 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 6 EnMin= -1013.45147985249     IErMin= 7 ErrMin= 4.20D-08
 ErrMax= 4.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-12 BMatP= 6.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.149D-04 0.865D-02 0.631D-02 0.280D-01 0.450D-01 0.346D+00
 Coeff-Com:  0.566D+00
 Coeff:     -0.149D-04 0.865D-02 0.631D-02 0.280D-01 0.450D-01 0.346D+00
 Coeff:      0.566D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=3.51D-09 MaxDP=2.05D-07 DE= 3.96D-11 OVMax= 2.57D-07

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45147985     A.U. after    7 cycles
            NFock=  7  Conv=0.35D-08     -V/T= 2.0213
 KE= 9.923516114184D+02 PE=-6.034093811137D+03 EE= 2.177008207275D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 06:03:30 2016, MaxMem=  2952790016 cpu:       992.9
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 06:03:38 2016, MaxMem=  2952790016 cpu:        99.9
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 06:03:38 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 06:04:15 2016, MaxMem=  2952790016 cpu:       442.3
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21976978D+00-2.48978060D+00 3.31806138D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000026040    0.000001084   -0.000035974
      2        6          -0.000006677    0.000024616    0.000019971
      3        8           0.000001350    0.000034489   -0.000004187
      4        7           0.000003475    0.000030485    0.000016011
      5        1           0.000006742    0.000029052    0.000018224
      6        6           0.000001459    0.000017874    0.000021016
      7        1           0.000008531    0.000012950    0.000032742
      8        1           0.000012139    0.000008793    0.000013596
      9        1           0.000007838    0.000017406    0.000024807
     10        6           0.000002221    0.000008230   -0.000011414
     11        1          -0.000001811    0.000009417    0.000010754
     12        1          -0.000011523    0.000023387    0.000008590
     13        1           0.000000203    0.000023557    0.000006632
     14        6          -0.000020239   -0.000004462   -0.000026734
     15        8          -0.000005843   -0.000019341   -0.000022967
     16        7          -0.000012901    0.000011089   -0.000031885
     17        1          -0.000008300    0.000002579   -0.000031735
     18        6           0.000001064   -0.000004540   -0.000023207
     19        1          -0.000006517    0.000011195   -0.000016984
     20        1          -0.000011124    0.000009273   -0.000022563
     21        1          -0.000009275   -0.000001297   -0.000014604
     22        6          -0.000010405    0.000009809   -0.000004756
     23        1          -0.000013944    0.000022995   -0.000034596
     24        1          -0.000001556    0.000022091   -0.000023152
     25        1          -0.000011012    0.000013525   -0.000031209
     26        6           0.000001012   -0.000004496    0.000006092
     27        8           0.000005075   -0.000023843    0.000022128
     28        7           0.000006512   -0.000003134    0.000005793
     29        1          -0.000002483   -0.000009122    0.000002172
     30        6          -0.000001071   -0.000011259   -0.000019617
     31        1          -0.000009584   -0.000016525   -0.000015412
     32        1          -0.000013623   -0.000007328   -0.000016327
     33        1          -0.000000766   -0.000003745   -0.000009141
     34        6          -0.000001866   -0.000032273   -0.000003150
     35        1          -0.000000629   -0.000033735   -0.000010836
     36        1           0.000003615   -0.000025475    0.000005355
     37        1          -0.000003639   -0.000020283   -0.000013785
     38        6          -0.000006430    0.000006443   -0.000003136
     39        8           0.000004090    0.000003919    0.000039727
     40        7           0.000020005   -0.000012601    0.000027256
     41        1           0.000006322   -0.000003719    0.000010443
     42        6          -0.000009672   -0.000020924    0.000056198
     43        1           0.000006678   -0.000005503    0.000025525
     44        1           0.000028029    0.000000357    0.000012405
     45        1           0.000011166   -0.000011261    0.000016389
     46        6           0.000004824   -0.000006314   -0.000001658
     47        1           0.000003080   -0.000021030    0.000001107
     48        1           0.000002521   -0.000024645    0.000011516
     49        1           0.000006901   -0.000027762    0.000014580
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000056198 RMS     0.000016667
 Leave Link  716 at Mon Nov 14 06:04:15 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000020595 RMS     0.000001757
 Search for a local minimum.
 Step number 136 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .17572D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  112  113  114  115  116
                                                    117  118  119  120  121
                                                    122  123  124  125  126
                                                    127  128  129  130  131
                                                    132  133  134  135  136
 DE= -2.46D-07 DEPred=-1.06D-07 R= 2.33D+00
 Trust test= 2.33D+00 RLast= 1.63D-02 DXMaxT set to 2.83D-01
 ITU=  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1 -1  1 -1  0
 ITU= -1  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0  1
 ITU=  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0  0
 ITU=  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1  1
     Eigenvalues ---    0.00002   0.00022   0.00060   0.00073   0.00086
     Eigenvalues ---    0.00100   0.00108   0.00117   0.00145   0.00181
     Eigenvalues ---    0.00204   0.00225   0.00246   0.00331   0.00379
     Eigenvalues ---    0.00473   0.00483   0.00614   0.00668   0.00720
     Eigenvalues ---    0.00797   0.00839   0.00904   0.00942   0.00953
     Eigenvalues ---    0.01065   0.01094   0.01219   0.01237   0.01327
     Eigenvalues ---    0.01427   0.01463   0.01517   0.01619   0.01737
     Eigenvalues ---    0.01767   0.01785   0.01830   0.01922   0.01958
     Eigenvalues ---    0.02039   0.02122   0.02154   0.02271   0.02358
     Eigenvalues ---    0.02453   0.02504   0.02621   0.02750   0.03170
     Eigenvalues ---    0.03194   0.03279   0.04025   0.04461   0.04722
     Eigenvalues ---    0.05308   0.05633   0.05824   0.06001   0.06279
     Eigenvalues ---    0.06350   0.06487   0.06738   0.06977   0.07015
     Eigenvalues ---    0.07289   0.07393   0.07489   0.07697   0.07963
     Eigenvalues ---    0.08237   0.08402   0.08552   0.08832   0.08996
     Eigenvalues ---    0.09114   0.09244   0.09348   0.09477   0.09613
     Eigenvalues ---    0.09863   0.10081   0.10159   0.10493   0.10744
     Eigenvalues ---    0.10843   0.11078   0.11188   0.11376   0.12927
     Eigenvalues ---    0.12990   0.13999   0.14314   0.14617   0.15101
     Eigenvalues ---    0.15227   0.15328   0.20860   0.22153   0.22751
     Eigenvalues ---    0.23392   0.24615   0.24832   0.25280   0.25754
     Eigenvalues ---    0.26963   0.27450   0.28057   0.28681   0.29354
     Eigenvalues ---    0.29694   0.30527   0.32785   0.32806   0.32858
     Eigenvalues ---    0.32950   0.33248   0.33301   0.33364   0.33370
     Eigenvalues ---    0.33390   0.33422   0.33460   0.33511   0.33732
     Eigenvalues ---    0.33816   0.33823   0.33837   0.33958   0.33971
     Eigenvalues ---    0.34073   0.34224   0.34284   0.35859   0.37181
     Eigenvalues ---    0.39621   0.40834   0.86153   0.86342   0.86884
     Eigenvalues ---    0.90016
 Eigenvalue     1 is   2.11D-05 Eigenvector:
                         D399      D397      D407      D395      D401
   1                   -0.23101  -0.22801  -0.22389  -0.22316  -0.22154
                         D405      D379      D393      D381      D377
   1                   -0.22143  -0.22127  -0.22086  -0.22036  -0.22032
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   136  135  134  133  132
 RFO step:  Lambda=-9.56717917D-09.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.15D-07 SmlDif=  1.00D-05
 RMS Error=  0.1095410045D-04 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.51654   -0.51330   -0.30444    0.34023   -0.03903
 Iteration  1 RMS(Cart)=  0.00027182 RMS(Int)=  0.00000051
 Iteration  2 RMS(Cart)=  0.00000035 RMS(Int)=  0.00000022
 ITry= 1 IFail=0 DXMaxC= 2.28D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58482   0.00000   0.00031   0.00046   0.00076   6.58559
    R2        6.25212   0.00000  -0.00007   0.00009   0.00002   6.25214
    R3        7.16695   0.00000   0.00034  -0.00046  -0.00011   7.16683
    R4        6.21012   0.00001   0.00043  -0.00082  -0.00040   6.20972
    R5        6.54812   0.00000  -0.00076   0.00006  -0.00070   6.54742
    R6        5.94202  -0.00001  -0.00031  -0.00029  -0.00061   5.94141
    R7        6.68751   0.00000   0.00005   0.00009   0.00014   6.68765
    R8        6.21584   0.00000   0.00002   0.00005   0.00006   6.21590
    R9        6.63830   0.00000   0.00003   0.00016   0.00019   6.63849
   R10        6.06452   0.00000   0.00065   0.00033   0.00098   6.06550
   R11        6.93722   0.00000   0.00042   0.00002   0.00044   6.93766
   R12        6.02011   0.00000   0.00064   0.00005   0.00069   6.02080
   R13        6.88857   0.00000  -0.00038   0.00015  -0.00023   6.88834
   R14        6.19156   0.00000   0.00009  -0.00001   0.00007   6.19164
   R15        6.83143   0.00000  -0.00038  -0.00021  -0.00060   6.83083
   R16        5.92924   0.00000  -0.00076  -0.00011  -0.00086   5.92838
   R17        6.68896   0.00000   0.00052   0.00020   0.00072   6.68968
   R18        6.54447   0.00000   0.00016   0.00016   0.00032   6.54479
   R19        6.22849   0.00000  -0.00028   0.00019  -0.00010   6.22839
   R20        6.55943   0.00000  -0.00035   0.00019  -0.00016   6.55928
   R21        6.01602   0.00000  -0.00021   0.00041   0.00020   6.01623
   R22        7.05526   0.00000   0.00003   0.00051   0.00054   7.05580
   R23        6.07651   0.00000   0.00071   0.00062   0.00133   6.07784
   R24        2.34930   0.00000   0.00000   0.00000   0.00000   2.34930
   R25        2.57226   0.00000  -0.00001   0.00001  -0.00001   2.57226
   R26        2.09476   0.00000   0.00000   0.00000   0.00001   2.09477
   R27        2.76525   0.00000   0.00000   0.00001   0.00001   2.76525
   R28        2.76794   0.00001   0.00002   0.00002   0.00004   2.76797
   R29        2.07674   0.00000   0.00000   0.00000   0.00000   2.07674
   R30        2.08282   0.00000   0.00000  -0.00002  -0.00002   2.08280
   R31        2.08251   0.00000   0.00000  -0.00001   0.00000   2.08251
   R32        2.08117   0.00000   0.00000   0.00000   0.00000   2.08118
   R33        2.07441   0.00000   0.00000   0.00000   0.00000   2.07442
   R34        2.08337   0.00000   0.00000   0.00000  -0.00001   2.08337
   R35        2.34859   0.00000   0.00000   0.00000   0.00000   2.34859
   R36        2.57154   0.00000  -0.00002   0.00000  -0.00002   2.57152
   R37        2.09433   0.00000   0.00000   0.00000   0.00000   2.09433
   R38        2.76971   0.00000  -0.00005   0.00003  -0.00003   2.76968
   R39        2.76538  -0.00001  -0.00001  -0.00001  -0.00002   2.76536
   R40        2.08097   0.00000  -0.00001   0.00001   0.00000   2.08097
   R41        2.08406   0.00000   0.00001   0.00000   0.00001   2.08407
   R42        2.07370   0.00000   0.00001  -0.00001   0.00001   2.07371
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08381   0.00000  -0.00001   0.00001  -0.00001   2.08380
   R45        2.07669   0.00000   0.00000   0.00000   0.00000   2.07670
   R46        2.34804   0.00000   0.00000  -0.00001  -0.00001   2.34804
   R47        2.57218   0.00000   0.00001   0.00000   0.00001   2.57219
   R48        2.09357   0.00000   0.00000   0.00000   0.00001   2.09357
   R49        2.76614   0.00001   0.00000   0.00002   0.00002   2.76617
   R50        2.76854   0.00000   0.00001  -0.00001   0.00000   2.76854
   R51        2.08446   0.00000   0.00000   0.00000   0.00000   2.08446
   R52        2.08299   0.00000   0.00001   0.00003   0.00003   2.08302
   R53        2.07647   0.00000  -0.00001   0.00000  -0.00001   2.07646
   R54        2.08523   0.00000   0.00000   0.00000   0.00000   2.08522
   R55        2.07368   0.00000  -0.00001   0.00000  -0.00001   2.07367
   R56        2.07742   0.00000   0.00001   0.00000   0.00001   2.07743
   R57        2.34943  -0.00002   0.00001  -0.00003  -0.00002   2.34941
   R58        2.57234   0.00000  -0.00001   0.00003   0.00002   2.57235
   R59        2.09441   0.00000  -0.00001   0.00000   0.00000   2.09441
   R60        2.77027   0.00000   0.00000  -0.00001   0.00000   2.77027
   R61        2.76536  -0.00001  -0.00004   0.00000  -0.00005   2.76532
   R62        2.07425   0.00000   0.00000   0.00000   0.00000   2.07425
   R63        2.08315   0.00000   0.00000   0.00000   0.00000   2.08315
   R64        2.08063   0.00000   0.00002  -0.00001   0.00001   2.08064
   R65        2.07612   0.00000   0.00000   0.00000   0.00000   2.07612
   R66        2.08573   0.00000  -0.00001   0.00000  -0.00002   2.08572
   R67        2.08215   0.00000   0.00001   0.00000   0.00001   2.08216
    A1        0.68631   0.00000  -0.00003   0.00001  -0.00002   0.68629
    A2        0.96388   0.00000  -0.00004   0.00001  -0.00003   0.96385
    A3        0.72680   0.00000   0.00002  -0.00003  -0.00002   0.72679
    A4        1.02049   0.00000   0.00002  -0.00003  -0.00002   1.02048
    A5        2.36801   0.00000   0.00004  -0.00022  -0.00018   2.36783
    A6        2.03553   0.00000   0.00006  -0.00019  -0.00013   2.03539
    A7        1.96788   0.00000   0.00006  -0.00010  -0.00005   1.96783
    A8        1.66761   0.00000   0.00002  -0.00008  -0.00006   1.66754
    A9        1.67311   0.00000   0.00008  -0.00021  -0.00013   1.67298
   A10        1.38814   0.00000   0.00009  -0.00021  -0.00011   1.38803
   A11        1.74198   0.00000   0.00003   0.00006   0.00009   1.74207
   A12        2.04919   0.00000   0.00005   0.00002   0.00007   2.04926
   A13        1.95713   0.00000   0.00005  -0.00006  -0.00001   1.95713
   A14        2.05291   0.00000   0.00002  -0.00004  -0.00003   2.05288
   A15        2.44081   0.00000   0.00004   0.00005   0.00009   2.44090
   A16        1.61676   0.00000  -0.00001   0.00038   0.00037   1.61712
   A17        1.81558   0.00000   0.00002   0.00039   0.00040   1.81598
   A18        1.58922   0.00000   0.00003   0.00036   0.00038   1.58960
   A19        1.72365   0.00000   0.00006   0.00032   0.00038   1.72403
   A20        2.21536   0.00000   0.00001   0.00035   0.00036   2.21572
   A21        2.43429   0.00000  -0.00003   0.00037   0.00034   2.43463
   A22        0.65156   0.00000  -0.00002   0.00004   0.00003   0.65159
   A23        0.66223   0.00000   0.00001   0.00000   0.00001   0.66224
   A24        2.44916   0.00000   0.00007  -0.00016  -0.00008   2.44907
   A25        2.25672   0.00000   0.00009  -0.00017  -0.00007   2.25665
   A26        2.32491   0.00000   0.00007  -0.00011  -0.00004   2.32487
   A27        2.04646   0.00000   0.00000  -0.00009  -0.00008   2.04638
   A28        1.84958   0.00000   0.00013  -0.00016  -0.00004   1.84954
   A29        1.60157   0.00000   0.00013  -0.00016  -0.00002   1.60154
   A30        1.34584   0.00000   0.00005   0.00008   0.00013   1.34597
   A31        1.65060   0.00000   0.00007   0.00005   0.00012   1.65072
   A32        1.60922   0.00000   0.00005   0.00000   0.00005   1.60927
   A33        1.77244   0.00000   0.00001   0.00003   0.00004   1.77248
   A34        2.04278   0.00000   0.00006   0.00006   0.00012   2.04290
   A35        1.88112   0.00000  -0.00002   0.00031   0.00029   1.88141
   A36        1.94563   0.00000   0.00002   0.00030   0.00032   1.94595
   A37        1.59311   0.00000   0.00002   0.00028   0.00030   1.59341
   A38        1.60492   0.00000   0.00006   0.00025   0.00031   1.60523
   A39        2.29438   0.00000   0.00003   0.00024   0.00028   2.29466
   A40        2.38601   0.00000  -0.00004   0.00025   0.00020   2.38621
   A41        0.69470   0.00000   0.00001   0.00004   0.00005   0.69475
   A42        0.75792   0.00000  -0.00007   0.00005  -0.00002   0.75790
   A43        2.72967   0.00000   0.00005  -0.00002   0.00004   2.72970
   A44        2.64700   0.00000   0.00007  -0.00011  -0.00005   2.64695
   A45        2.64462   0.00000   0.00001  -0.00010  -0.00009   2.64453
   A46        2.33107   0.00000  -0.00001  -0.00009  -0.00011   2.33096
   A47        2.23793   0.00000   0.00010  -0.00011  -0.00001   2.23793
   A48        1.99381   0.00000   0.00010  -0.00012  -0.00002   1.99379
   A49        1.11092   0.00000   0.00001   0.00010   0.00011   1.11103
   A50        1.47485   0.00000   0.00002   0.00009   0.00011   1.47496
   A51        1.58901   0.00000   0.00000   0.00008   0.00007   1.58908
   A52        1.83475   0.00000  -0.00004   0.00011   0.00008   1.83483
   A53        1.79033   0.00000   0.00005   0.00010   0.00015   1.79048
   A54        1.73318   0.00000   0.00001   0.00018   0.00020   1.73338
   A55        1.66420   0.00000   0.00006   0.00018   0.00025   1.66444
   A56        1.26097   0.00000   0.00005   0.00019   0.00024   1.26121
   A57        1.22338   0.00000   0.00009   0.00019   0.00028   1.22366
   A58        1.95153   0.00000   0.00008   0.00014   0.00022   1.95175
   A59        1.99962   0.00000  -0.00001   0.00018   0.00017   1.99979
   A60        0.84995   0.00000   0.00005   0.00007   0.00012   0.85007
   A61        0.79453   0.00000  -0.00005   0.00011   0.00006   0.79459
   A62        2.66114   0.00000   0.00011   0.00014   0.00025   2.66139
   A63        2.83460   0.00000   0.00015   0.00001   0.00016   2.83475
   A64        2.58002   0.00000  -0.00005  -0.00013  -0.00019   2.57983
   A65        2.44735   0.00000   0.00016  -0.00004   0.00013   2.44748
   A66        2.23975   0.00000   0.00014  -0.00008   0.00007   2.23982
   A67        0.87548   0.00000   0.00002   0.00015   0.00017   0.87565
   A68        1.25367   0.00000   0.00004   0.00014   0.00018   1.25385
   A69        1.44867   0.00000   0.00003   0.00015   0.00018   1.44885
   A70        1.72769   0.00000   0.00001   0.00018   0.00019   1.72788
   A71        1.52826   0.00000   0.00007   0.00013   0.00020   1.52846
   A72        1.74049   0.00000  -0.00004   0.00005   0.00001   1.74050
   A73        1.56660   0.00000   0.00001   0.00006   0.00007   1.56667
   A74        1.13585   0.00000  -0.00001   0.00007   0.00007   1.13592
   A75        1.02247   0.00000   0.00004   0.00011   0.00015   1.02262
   A76        1.77751   0.00000   0.00004   0.00005   0.00009   1.77760
   A77        1.76995   0.00000  -0.00004   0.00011   0.00008   1.77003
   A78        2.05916   0.00000   0.00004  -0.00011  -0.00008   2.05908
   A79        1.99237   0.00000   0.00008  -0.00011  -0.00002   1.99234
   A80        2.25421   0.00000   0.00009  -0.00007   0.00002   2.25423
   A81        2.09062   0.00000   0.00000  -0.00004  -0.00004   2.09059
   A82        1.59799   0.00000   0.00012  -0.00010   0.00002   1.59802
   A83        1.42316   0.00000   0.00014  -0.00008   0.00006   1.42322
   A84        1.18997   0.00000   0.00011   0.00002   0.00013   1.19010
   A85        1.38636   0.00000   0.00009   0.00000   0.00009   1.38645
   A86        1.23041   0.00000   0.00004  -0.00003   0.00001   1.23042
   A87        1.35197   0.00000  -0.00002   0.00002   0.00000   1.35197
   A88        1.81245   0.00000   0.00006  -0.00001   0.00005   1.81250
   A89        2.31100   0.00000   0.00002   0.00032   0.00034   2.31133
   A90        2.35309   0.00000   0.00007   0.00025   0.00032   2.35341
   A91        1.95491   0.00000   0.00006   0.00022   0.00028   1.95519
   A92        1.87153   0.00000   0.00008   0.00017   0.00025   1.87178
   A93        2.62745   0.00000   0.00009   0.00012   0.00021   2.62766
   A94        2.56152   0.00000  -0.00002   0.00004   0.00002   2.56154
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   A332       3.29189   0.00000   0.00018   0.00012   0.00030   3.29218
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    D8       -2.29018   0.00000   0.00018  -0.00008   0.00010  -2.29008
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   D28       -2.75319   0.00000   0.00015  -0.00023  -0.00008  -2.75327
   D29        2.34315   0.00000   0.00010  -0.00041  -0.00031   2.34285
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   D34        0.05953   0.00000   0.00011  -0.00015  -0.00004   0.05949
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   D36       -0.31452   0.00000   0.00008  -0.00013  -0.00006  -0.31458
   D37       -2.77249   0.00000   0.00001  -0.00021  -0.00020  -2.77269
   D38       -0.60743   0.00000   0.00007  -0.00015  -0.00008  -0.60751
   D39       -2.13677   0.00000   0.00009  -0.00022  -0.00013  -2.13690
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   D41       -2.38322   0.00000  -0.00004  -0.00025  -0.00029  -2.38351
   D42       -0.21816   0.00000   0.00001  -0.00018  -0.00017  -0.21833
   D43        1.26356   0.00000  -0.00009   0.00001  -0.00007   1.26348
   D44       -1.97506   0.00000   0.00008  -0.00032  -0.00024  -1.97530
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   D47        2.92374   0.00000   0.00007  -0.00013  -0.00006   2.92368
   D48       -0.31487   0.00000   0.00025  -0.00047  -0.00022  -0.31510
   D49        2.86011   0.00000  -0.00011  -0.00054  -0.00065   2.85946
   D50       -0.37850   0.00000   0.00006  -0.00088  -0.00082  -0.37932
   D51        1.94982   0.00000  -0.00022  -0.00035  -0.00057   1.94925
   D52       -1.28879   0.00000  -0.00005  -0.00069  -0.00074  -1.28953
   D53        1.02105   0.00000  -0.00027  -0.00014  -0.00041   1.02064
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   D55        0.94734   0.00000  -0.00008  -0.00017  -0.00025   0.94709
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   D57        1.97666   0.00000  -0.00019  -0.00028  -0.00048   1.97618
   D58       -1.26195   0.00000  -0.00002  -0.00062  -0.00064  -1.26260
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   D64        0.60665   0.00000   0.00024  -0.00053  -0.00029   0.60636
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   D73       -0.58037   0.00000  -0.00004  -0.00038  -0.00042  -0.58079
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   D75       -0.74215   0.00000  -0.00008  -0.00034  -0.00043  -0.74258
   D76        2.30242   0.00000   0.00009  -0.00068  -0.00059   2.30183
   D77       -1.07926   0.00000  -0.00010  -0.00032  -0.00042  -1.07968
   D78        1.96531   0.00000   0.00007  -0.00065  -0.00058   1.96473
   D79       -0.86901   0.00000  -0.00001  -0.00037  -0.00039  -0.86940
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   D81       -1.17179   0.00000  -0.00008  -0.00037  -0.00044  -1.17224
   D82        1.87278   0.00000   0.00009  -0.00070  -0.00061   1.87217
   D83       -1.51620   0.00000  -0.00018   0.00011  -0.00006  -1.51626
   D84       -2.59890   0.00000  -0.00011   0.00009  -0.00002  -2.59891
   D85       -2.93193   0.00000  -0.00005   0.00015   0.00010  -2.93182
   D86        0.72546   0.00000  -0.00016  -0.00010  -0.00026   0.72520
   D87        0.29166   0.00000  -0.00017  -0.00007  -0.00024   0.29142
   D88       -0.11143   0.00000  -0.00017  -0.00001  -0.00018  -0.11162
   D89       -0.44157   0.00000  -0.00013  -0.00002  -0.00015  -0.44172
   D90        0.17808   0.00000  -0.00019  -0.00009  -0.00028   0.17780
   D91       -0.05473   0.00000  -0.00019  -0.00010  -0.00029  -0.05502
   D92        2.38309   0.00000   0.00001  -0.00004  -0.00003   2.38306
   D93        2.04178   0.00000  -0.00003  -0.00004  -0.00007   2.04171
   D94        1.64088   0.00000  -0.00004  -0.00005  -0.00009   1.64080
   D95        1.35971   0.00000  -0.00006  -0.00005  -0.00011   1.35960
   D96        2.05888   0.00000  -0.00012  -0.00008  -0.00020   2.05869
   D97       -1.88249   0.00000  -0.00009  -0.00012  -0.00021  -1.88270
   D98       -2.43911   0.00000  -0.00010  -0.00028  -0.00038  -2.43949
   D99       -2.64840   0.00000  -0.00015  -0.00018  -0.00033  -2.64873
   D100      -2.97789   0.00000  -0.00019  -0.00018  -0.00037  -2.97826
   D101      -2.93389   0.00000  -0.00010  -0.00052  -0.00062  -2.93451
   D102       2.81628   0.00000  -0.00016  -0.00053  -0.00068   2.81560
   D103      -2.83850   0.00000  -0.00005  -0.00008  -0.00013  -2.83863
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   D105       2.85343   0.00000  -0.00005   0.00010   0.00005   2.85348
   D106       0.66741   0.00000  -0.00003   0.00011   0.00008   0.66749
   D107       2.30942   0.00000  -0.00006   0.00034   0.00028   2.30969
   D108       0.12340   0.00000  -0.00004   0.00034   0.00030   0.12370
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   D110      -0.51189   0.00000  -0.00017   0.00019   0.00002  -0.51187
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   D112       0.41825   0.00000  -0.00007   0.00002  -0.00005   0.41820
   D113       2.26191   0.00000  -0.00020   0.00003  -0.00016   2.26174
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   D428      -3.05029  -0.00001  -0.00018  -0.00005  -0.00023  -3.05052
   D429       0.02573  -0.00001  -0.00010  -0.00013  -0.00023   0.02549
   D430       0.06118   0.00000  -0.00008  -0.00002  -0.00010   0.06107
   D431       3.13719   0.00000   0.00000  -0.00010  -0.00011   3.13709
   D432      -0.12085   0.00000   0.00008  -0.00011  -0.00002  -0.12087
   D433       1.97771   0.00000   0.00008  -0.00012  -0.00004   1.97767
   D434      -2.21799   0.00000   0.00009  -0.00011  -0.00003  -2.21801
   D435       3.08297   0.00000   0.00001  -0.00002  -0.00001   3.08296
   D436      -1.10165   0.00000   0.00000  -0.00004  -0.00003  -1.10168
   D437       0.98583   0.00000   0.00001  -0.00003  -0.00002   0.98581
   D438      -2.33575   0.00000  -0.00046   0.00001  -0.00045  -2.33620
   D439      -0.24448  -0.00001  -0.00055   0.00001  -0.00054  -0.24502
   D440       1.86352   0.00000  -0.00051   0.00003  -0.00048   1.86304
   D441       0.74341   0.00000  -0.00038  -0.00007  -0.00045   0.74296
   D442       2.83469  -0.00001  -0.00048  -0.00007  -0.00055   2.83414
   D443      -1.34050   0.00000  -0.00043  -0.00005  -0.00049  -1.34098
   D444       0.00474   0.00000   0.00014  -0.00006   0.00008   0.00483
   D445       3.11237   0.00000   0.00037   0.00001   0.00038   3.11274
   D446      -3.11423   0.00000   0.00021  -0.00005   0.00016  -3.11408
   D447      -0.00661   0.00000   0.00043   0.00002   0.00045  -0.00616
   D448       2.43093   0.00000   0.00046   0.00014   0.00059   2.43153
   D449      -1.76888   0.00000   0.00046   0.00015   0.00061  -1.76827
   D450       0.33910   0.00000   0.00049   0.00017   0.00066   0.33976
   D451      -0.67831   0.00000   0.00024   0.00007   0.00032  -0.67799
   D452       1.40507   0.00000   0.00024   0.00009   0.00033   1.40540
   D453      -2.77014   0.00000   0.00027   0.00010   0.00038  -2.76976
   D454       2.04727   0.00000  -0.00018  -0.00005  -0.00023   2.04704
   D455      -2.15214   0.00000  -0.00017  -0.00004  -0.00021  -2.15235
   D456      -0.05889   0.00000  -0.00015  -0.00006  -0.00021  -0.05910
   D457      -1.12667   0.00000   0.00004   0.00001   0.00005  -1.12662
   D458       0.95710   0.00000   0.00005   0.00002   0.00007   0.95718
   D459       3.05035   0.00000   0.00007   0.00000   0.00007   3.05042
   D460      -3.08695   0.00000  -0.00009   0.00015   0.00006  -3.08689
   D461      -0.02212   0.00000   0.00016   0.00006   0.00022  -0.02190
   D462       0.06862   0.00000  -0.00011   0.00017   0.00006   0.06868
   D463       3.13345   0.00000   0.00015   0.00008   0.00023   3.13367
   D464       1.91596   0.00000   0.00061  -0.00019   0.00042   1.91638
   D465      -2.28490   0.00000   0.00051  -0.00021   0.00031  -2.28459
   D466      -0.19224   0.00000   0.00058  -0.00017   0.00041  -0.19183
   D467      -1.15192   0.00000   0.00035  -0.00011   0.00025  -1.15167
   D468       0.93041   0.00000   0.00026  -0.00012   0.00014   0.93054
   D469       3.02306   0.00000   0.00033  -0.00009   0.00024   3.02331
   D470      -1.63414   0.00000  -0.00082  -0.00006  -0.00087  -1.63502
   D471       0.47056   0.00000  -0.00077  -0.00006  -0.00084   0.46973
   D472       2.56111   0.00000  -0.00077  -0.00003  -0.00081   2.56030
   D473       1.43415   0.00000  -0.00057  -0.00014  -0.00071   1.43344
   D474      -2.74433   0.00000  -0.00053  -0.00015  -0.00067  -2.74500
   D475      -0.65379   0.00000  -0.00052  -0.00012  -0.00064  -0.65443
   D476       0.01577   0.00000  -0.00002   0.00003   0.00002   0.01579
   D477      -3.02156  -0.00001  -0.00034  -0.00014  -0.00047  -3.02204
   D478       3.12902   0.00000  -0.00005   0.00006   0.00001   3.12904
   D479       0.09169   0.00000  -0.00037  -0.00011  -0.00048   0.09121
   D480      -0.27573   0.00000  -0.00031  -0.00017  -0.00047  -0.27620
   D481       1.83249   0.00000  -0.00029  -0.00018  -0.00047   1.83201
   D482      -2.36809   0.00000  -0.00027  -0.00016  -0.00042  -2.36851
   D483       2.76691   0.00000   0.00000  -0.00001  -0.00001   2.76690
   D484      -1.40806   0.00000   0.00001  -0.00002  -0.00001  -1.40807
   D485       0.67455   0.00000   0.00004   0.00000   0.00004   0.67459
   D486      -0.11184   0.00000   0.00071  -0.00006   0.00065  -0.11118
   D487       1.98466   0.00000   0.00074  -0.00008   0.00066   1.98532
   D488      -2.21419   0.00000   0.00075  -0.00005   0.00070  -2.21349
   D489       3.12859   0.00000   0.00041  -0.00022   0.00019   3.12879
   D490      -1.05809   0.00000   0.00044  -0.00024   0.00020  -1.05790
   D491       1.02624   0.00000   0.00045  -0.00021   0.00023   1.02648
         Item               Value     Threshold  Converged?
 Maximum Force            0.000021     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.002277     0.001800     NO 
 RMS     Displacement     0.000272     0.001200     YES
 Predicted change in Energy=-4.972317D-08
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 06:04:16 2016, MaxMem=  2952790016 cpu:         8.1
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.783214   -0.576534    1.629673
      2          6           0       -2.040529    1.108401   -1.409999
      3          8           0       -2.557804    0.119754   -1.958218
      4          7           0       -0.753894    1.187907   -0.972894
      5          1           0       -2.617107    2.031188   -1.198340
      6          6           0       -0.265567    2.354959   -0.237503
      7          1           0       -1.038590    3.136048   -0.229755
      8          1           0       -0.022620    2.070911    0.799357
      9          1           0        0.644571    2.747016   -0.719561
     10          6           0        0.189629    0.080328   -1.141771
     11          1           0        0.728967   -0.085803   -0.196044
     12          1           0       -0.361302   -0.829573   -1.413019
     13          1           0        0.924081    0.318474   -1.928730
     14          6           0       -2.084480   -3.938193    2.693938
     15          8           0       -2.232838   -3.739060    3.911699
     16          7           0       -2.992284   -3.634029    1.726923
     17          1           0       -1.155104   -4.376579    2.278792
     18          6           0       -4.279920   -3.012084    2.048353
     19          1           0       -4.504001   -2.245239    1.290473
     20          1           0       -5.087226   -3.763382    2.040236
     21          1           0       -4.221472   -2.546057    3.040120
     22          6           0       -2.714438   -3.873521    0.310279
     23          1           0       -3.427565   -4.606541   -0.101360
     24          1           0       -2.819075   -2.930290   -0.251252
     25          1           0       -1.689952   -4.253451    0.193004
     26          6           0        1.610329    0.360859    2.574297
     27          8           0        1.463622    1.389428    3.255762
     28          7           0        1.206573   -0.888503    2.933177
     29          1           0        2.087925    0.380557    1.574851
     30          6           0        1.481832   -2.056255    2.094560
     31          1           0        2.233024   -2.705994    2.574417
     32          1           0        0.557255   -2.640027    1.955248
     33          1           0        1.852537   -1.725525    1.114465
     34          6           0        0.559460   -1.134756    4.224290
     35          1           0        1.301006   -1.439315    4.982551
     36          1           0        0.053697   -0.219502    4.556959
     37          1           0       -0.177435   -1.941912    4.105929
     38          6           0       -4.602137    0.974178    2.911771
     39          8           0       -4.855211    1.526532    1.827090
     40          7           0       -3.545059    1.266920    3.717897
     41          1           0       -5.225188    0.148978    3.310786
     42          6           0       -2.580007    2.315878    3.375253
     43          1           0       -2.684227    2.578442    2.314582
     44          1           0       -2.748012    3.211371    3.995779
     45          1           0       -1.561714    1.942205    3.564232
     46          6           0       -3.239768    0.467807    4.905160
     47          1           0       -4.034564   -0.272701    5.069324
     48          1           0       -2.277729   -0.054580    4.764526
     49          1           0       -3.159703    1.121395    5.788588
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484943   0.000000
     3  O    3.736009   1.243198   0.000000
     4  N    3.308490   1.361180   2.316442   0.000000
     5  H    3.936147   1.108502   2.057793   2.057550   0.000000
     6  C    3.792526   2.465592   3.634742   1.463309   2.560816
     7  H    4.218436   2.551119   3.793893   2.104414   2.156523
     8  H    3.286043   3.143188   4.223552   2.110766   3.274711
     9  H    4.739095   3.220485   4.323422   2.109669   3.373453
    10  C    3.464748   2.470321   2.866448   1.464748   3.418600
    11  H    3.144060   3.251141   3.735020   2.103500   4.084417
    12  H    3.368061   2.564285   2.454197   2.101919   3.649479
    13  H    4.559903   3.111588   3.487676   2.117814   4.000859
    14  C    3.538951   6.504794   6.191407   6.441508   7.146120
    15  O    3.925733   7.201065   7.032210   7.093768   7.717249
    16  N    3.289313   5.765133   5.278250   5.962422   6.386909
    17  H    3.905921   6.669045   6.335363   6.457394   7.435548
    18  C    3.512939   5.826961   5.369051   6.261048   6.224191
    19  H    3.209722   4.960660   4.464848   5.565305   5.295506
    20  H    4.608802   6.702295   6.120813   7.236849   7.082859
    21  H    3.437076   6.157528   5.904043   6.486207   6.441250
    22  C    3.671253   5.313479   4.595308   5.577483   6.095161
    23  H    4.684156   6.024697   5.151919   6.440786   6.776404
    24  H    3.186071   4.273155   3.504963   4.663184   5.055099
    25  H    3.948725   5.607315   4.950338   5.643040   6.503241
    26  C    3.645155   5.455474   6.162399   4.342364   5.907115
    27  O    4.129300   5.841864   6.705932   4.779072   6.074803
    28  N    3.276472   5.778795   6.254027   4.838626   6.341495
    29  H    3.988075   5.146185   5.842379   3.901122   5.705480
    30  C    3.614722   5.891011   6.121983   4.993229   6.659706
    31  H    4.642985   6.977711   7.175073   6.055375   7.758761
    32  H    3.137163   5.667811   5.712722   4.994618   6.468535
    33  H    3.847636   5.436912   5.683092   4.431550   6.280101
    34  C    3.540024   6.598250   7.036656   5.842122   7.036952
    35  H    4.636658   7.649929   8.092922   6.825851   8.099347
    36  H    3.474294   6.461710   7.027273   5.763010   6.732181
    37  H    3.251865   6.572746   6.833045   5.993540   7.062067
    38  C    3.463353   5.025689   5.350340   5.472228   4.685149
    39  O    3.728140   4.309990   4.646037   4.977487   3.796974
    40  N    3.295923   5.346407   5.874432   5.458972   5.061086
    41  H    3.898679   5.774804   5.905776   6.278675   5.538683
    42  C    3.471020   4.964642   5.767960   4.849061   4.582595
    43  H    3.351835   4.055597   4.931323   4.057989   3.555926
    44  H    4.569193   5.843411   6.711509   5.723515   5.328118
    45  H    3.183651   5.066307   5.900083   4.669803   4.878921
    46  C    3.733767   6.459858   6.905952   6.422588   6.331238
    47  H    4.122147   6.918472   7.191744   7.028839   6.826470
    48  H    3.216253   6.287571   6.730833   6.064968   6.326245
    49  H    4.698326   7.285079   7.834447   7.177046   7.066774
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098965   0.000000
     8  H    1.102173   1.796046   0.000000
     9  H    1.102016   1.795629   1.791472   0.000000
    10  C    2.489749   3.417268   2.788449   2.737967   0.000000
    11  H    2.635932   3.675012   2.491410   2.882024   1.101311
    12  H    3.395916   4.193445   3.663621   3.779505   1.097734
    13  H    2.902203   3.831098   3.377830   2.727276   1.102469
    14  C    7.176737   7.725720   6.629482   7.986972   6.002728
    15  O    7.630407   8.114492   6.951799   8.473325   6.781861
    16  N    6.867454   7.312964   6.498124   7.741430   5.670134
    17  H    7.241314   7.921234   6.711287   7.935652   5.776900
    18  C    7.081336   7.314063   6.746957   8.067168   6.302124
    19  H    6.439010   6.578633   6.241243   7.447861   5.775312
    20  H    8.116070   8.315434   7.824896   9.102487   7.262539
    21  H    7.100138   7.287602   6.630820   8.113582   6.621475
    22  C    6.714983   7.227320   6.543802   7.495000   5.116148
    23  H    7.647173   8.103787   7.549391   8.428480   6.011097
    24  H    5.869791   6.322265   5.825457   6.666930   4.348464
    25  H    6.773868   7.430187   6.568501   7.435678   4.908777
    26  C    3.924493   4.751963   2.956555   4.180423   3.988264
    27  O    4.015625   4.632555   2.950807   4.279846   4.761838
    28  N    4.768695   5.589445   3.849966   5.184143   4.310222
    29  H    3.566765   4.541412   2.813021   3.598295   3.327717
    30  C    5.286845   6.222135   4.579784   5.629538   4.087617
    31  H    6.305799   7.259221   5.572934   6.565729   5.074358
    32  H    5.516800   6.378401   4.885210   6.015186   4.138479
    33  H    4.792132   5.813813   4.245990   4.982615   3.334211
    34  C    5.724192   6.374326   4.727080   6.286259   5.514328
    35  H    6.640755   7.319548   5.618967   7.104249   6.407168
    36  H    5.451298   5.946884   4.401294   6.082025   5.708231
    37  H    6.110341   6.732415   5.201936   6.778429   5.635827
    38  C    5.534467   5.219362   5.161114   6.622497   6.339653
    39  O    5.100360   4.624689   4.970565   6.182444   6.029598
    40  N    5.252056   5.035870   4.644552   6.279707   6.242778
    41  H    6.484948   6.243846   6.088334   7.579417   7.010721
    42  C    4.290707   4.005587   3.638059   5.229845   5.750832
    43  H    3.523209   3.081022   3.104456   4.507254   5.142567
    44  H    4.981632   4.558830   4.352646   5.827493   6.695341
    45  H    4.037766   4.011640   3.167004   4.885314   5.355395
    46  C    6.233314   6.191287   5.456886   7.205579   6.962491
    47  H    7.019427   6.976795   6.310375   8.032695   7.519717
    48  H    5.905503   6.054619   5.032474   6.816449   6.402374
    49  H    6.797903   6.691666   5.969531   7.711754   7.767350
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795246   0.000000
    13  H    1.789892   1.798939   0.000000
    14  C    5.577490   5.431386   6.967046   0.000000
    15  O    6.244368   6.349834   7.780768   1.242822   0.000000
    16  N    5.489574   4.964502   6.657627   1.360787   2.315391
    17  H    5.299556   5.180815   6.638507   1.108273   2.057749
    18  C    6.220080   5.665688   7.347887   2.468687   2.862010
    19  H    5.852935   5.145380   6.811752   3.269540   3.776309
    20  H    7.235581   6.547256   8.279496   3.078046   3.413283
    21  H    6.405658   6.138215   7.705306   2.573833   2.477412
    22  C    5.143948   4.215759   5.985383   2.466345   3.635966
    23  H    6.141889   5.038641   6.821428   3.172421   4.276043
    24  H    4.547829   3.435602   5.232554   3.198381   4.281115
    25  H    4.834441   4.008436   5.677801   2.551413   3.793154
    26  C    2.941274   4.604687   4.555215   5.669901   5.776497
    27  O    3.825048   5.481955   5.321373   6.425591   6.355743
    28  N    3.265648   4.620728   5.017443   4.493203   4.573044
    29  H    2.280423   4.048518   3.692353   6.108431   6.411014
    30  C    3.113896   4.147891   4.705028   4.076706   4.464594
    31  H    4.099152   5.113818   5.580240   4.491486   4.774880
    32  H    3.343890   3.932774   4.896180   3.034742   3.580530
    33  H    2.380867   3.477353   3.781666   4.784427   5.345010
    34  C    4.546249   5.720156   6.332810   4.146283   3.831063
    35  H    5.383035   6.636141   7.141268   4.789954   4.350127
    36  H    4.802593   6.015401   6.565908   4.676678   4.246398
    37  H    4.772177   5.632929   6.537568   3.100915   2.737179
    38  C    6.261210   6.319969   7.375601   5.524259   5.369176
    39  O    6.154327   6.020362   6.997557   6.188020   6.240905
    40  N    5.951143   6.392018   7.263413   5.502271   5.178737
    41  H    6.914112   6.850495   8.080518   5.191292   4.942883
    42  C    5.428770   6.143620   6.663370   6.310558   6.088561
    43  H    5.005131   5.559277   6.011077   6.555161   6.531873
    44  H    6.366484   7.161055   7.546716   7.297351   6.970005
    45  H    4.847651   5.822094   6.244063   5.967393   5.731310
    46  C    6.486881   7.063154   8.003874   5.063302   4.438311
    47  H    7.102835   7.471528   8.597117   4.783421   4.074550
    48  H    5.800728   6.514243   7.429026   4.405352   3.782158
    49  H    7.238433   7.968718   8.768066   6.027636   5.292052
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056981   0.000000
    18  C    1.465653   3.417518   0.000000
    19  H    2.098693   4.090782   1.101202   0.000000
    20  H    2.122187   3.986791   1.102841   1.790825   0.000000
    21  H    2.102159   3.651444   1.097360   1.797660   1.797548
    22  C    1.463364   2.561178   2.492732   2.610482   2.938538
    23  H    2.116098   3.298800   2.808927   2.944768   2.837573
    24  H    2.106757   3.355841   2.725609   2.384363   3.330085
    25  H    2.105388   2.156787   3.419247   3.627151   3.897935
    26  C    6.153147   5.493475   6.807966   6.769415   7.883643
    27  O    6.886768   6.407733   7.336172   7.258491   8.422741
    28  N    5.159783   4.262911   5.949295   6.095069   6.976688
    29  H    6.476770   5.800269   7.230745   7.101349   8.298892
    30  C    4.758387   3.517283   5.840679   6.042555   6.787471
    31  H    5.374323   3.789151   6.541321   6.873741   7.415490
    32  H    3.693156   2.460176   4.852356   5.119970   5.755807
    33  H    5.243070   4.174883   6.335173   6.380176   7.291792
    34  C    5.009800   4.151399   5.628380   5.956433   6.600367
    35  H    5.817923   4.687251   6.498451   6.926692   7.407295
    36  H    5.380158   4.892090   5.733398   5.962060   6.732168
    37  H    4.055404   3.197166   4.712671   5.170877   5.629466
    38  C    5.023053   6.396351   4.091405   3.605952   4.841422
    39  O    5.487433   6.981515   4.580278   3.825907   5.299288
    40  N    5.318725   6.295395   4.651588   4.375753   5.522387
    41  H    4.669649   6.173432   3.532644   3.214662   4.115810
    42  C    6.187758   6.929759   5.747829   5.371392   6.710128
    43  H    6.247802   7.121223   5.819887   5.256260   6.787370
    44  H    7.215738   7.941183   6.698552   6.338515   7.612047
    45  H    6.042899   6.461016   5.850771   5.600154   6.877902
    46  C    5.194949   5.891665   4.620920   4.693066   5.433586
    47  H    4.853505   5.737611   4.085423   4.288472   4.740077
    48  H    4.748691   5.110659   4.487002   4.671650   5.391683
    49  H    6.256133   6.823841   5.685938   5.777058   6.451863
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389003   0.000000
    23  H    3.839893   1.102414   0.000000
    24  H    3.598261   1.102701   1.789566   0.000000
    25  H    4.174908   1.098941   1.797393   1.795281   0.000000
    26  C    6.532768   6.462148   7.564032   6.199597   6.152582
    27  O    6.917720   7.336940   8.434787   7.021439   7.153153
    28  N    5.676495   5.582495   6.671391   5.524067   5.217401
    29  H    7.107783   6.539038   7.622432   6.194756   6.136439
    30  C    5.801868   4.908645   5.952160   4.976401   4.301604
    31  H    6.473251   5.564784   6.543251   5.792963   4.843087
    32  H    4.901225   3.864117   4.896489   4.043822   3.280027
    33  H    6.424563   5.110563   6.136608   5.014040   4.448452
    34  C    5.123607   5.791263   6.830879   5.888031   5.571120
    35  H    5.957826   6.624143   7.631308   6.825743   6.309117
    36  H    5.098111   6.248897   7.284589   6.222546   6.193316
    37  H    4.225539   4.957263   5.946837   5.190392   4.789770
    38  C    3.543083   5.816473   6.450039   5.331876   6.572718
    39  O    4.296400   6.003682   6.585718   5.322464   6.789499
    40  N    3.931375   6.223015   7.007002   5.822179   6.807406
    41  H    2.888585   5.611363   6.122838   5.287663   6.449793
    42  C    5.142484   6.908024   7.792630   6.382082   7.353569
    43  H    5.399076   6.756179   7.616646   6.078471   7.222495
    44  H    6.019331   7.986221   8.852575   7.467417   8.444178
    45  H    5.243426   6.763110   7.733308   6.315068   7.054628
    46  C    3.677703   6.343188   7.130885   6.189720   6.848110
    47  H    3.052991   6.112049   6.773964   6.070315   6.717296
    48  H    3.599885   5.883480   6.761606   5.806960   6.234966
    49  H    4.704427   7.426931   8.220248   7.280923   7.896815
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242527   0.000000
    28  N    1.361146   2.314975   0.000000
    29  H    1.107870   2.057434   2.057266   0.000000
    30  C    2.467609   3.636132   1.463793   2.564274   0.000000
    31  H    3.129431   4.222404   2.117920   3.247613   1.103048
    32  H    3.239985   4.330052   2.108505   3.407577   1.102289
    33  H    2.557884   3.799914   2.103708   2.168628   1.098814
    34  C    2.462451   2.850800   1.465048   3.413488   2.497134
    35  H    3.022581   3.318137   2.124205   3.942536   2.958683
    36  H    2.586672   2.503928   2.100798   3.659388   3.387719
    37  H    3.293137   3.809683   2.097736   4.114860   2.609951
    38  C    6.251783   6.089679   6.100094   6.848114   6.845877
    39  O    6.612135   6.479780   6.618236   7.041592   7.284642
    40  N    5.357873   5.031448   5.276328   6.091699   6.240861
    41  H    6.878343   6.803082   6.525833   7.519888   7.164242
    42  C    4.692819   4.150123   4.980128   5.364373   6.103626
    43  H    4.840283   4.416359   5.247923   5.305783   6.235773
    44  H    5.398256   4.648113   5.794552   6.104152   7.018126
    45  H    3.680012   3.090853   4.009308   4.440298   5.235532
    46  C    5.382175   5.068705   5.049578   6.283540   6.046806
    47  H    6.204142   6.023432   5.693141   7.079757   6.516204
    48  H    4.481817   4.284768   4.023633   5.424233   5.026899
    49  H    5.802008   5.278464   5.590834   6.770673   6.729573
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787715   0.000000
    33  H    1.799320   1.794711   0.000000
    34  C    2.826957   2.722939   3.419366   0.000000
    35  H    2.876151   3.340575   3.917677   1.103452   0.000000
    36  H    3.855202   3.589068   4.165897   1.097340   1.795787
    37  H    2.956292   2.377512   3.621666   1.099330   1.790771
    38  C    7.770258   6.371557   7.223678   5.728211   6.705235
    39  O    8.289503   6.831649   7.488497   6.492125   7.526765
    40  N    7.104776   5.932971   6.698256   4.782422   5.692750
    41  H    8.019852   6.561454   7.644068   5.995383   6.921610
    42  C    7.001843   6.034883   6.410268   4.741729   5.634460
    43  H    7.223029   6.153758   6.367624   5.287375   6.256398
    44  H    7.864235   7.023348   7.337572   5.466297   6.244769
    45  H    6.081573   5.298652   5.577698   3.795095   4.652040
    46  C    6.742168   5.725207   6.716520   4.179226   4.925620
    47  H    7.171342   6.032123   7.239445   4.749977   5.462310
    48  H    5.672166   4.755387   5.759696   3.083550   3.843484
    49  H    7.352640   6.531353   7.421249   4.622707   5.206233
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795424   0.000000
    38  C    5.080188   5.432088   0.000000
    39  O    5.882024   6.253383   1.243252   0.000000
    40  N    3.983029   4.667769   1.361231   2.314962   0.000000
    41  H    5.436483   5.521221   1.108314   2.058128   2.058729
    42  C    3.842002   4.943179   2.470624   2.862941   1.465962
    43  H    4.511427   5.470515   2.570734   2.461164   2.104856
    44  H    4.464906   5.759889   3.101271   3.461529   2.119763
    45  H    2.875420   4.158850   3.256832   3.746674   2.100782
    46  C    3.382389   3.977864   2.466994   3.633878   1.463344
    47  H    4.120586   4.311826   2.555754   3.797734   2.106276
    48  H    2.346451   2.899484   3.145459   4.215668   2.109009
    49  H    3.693353   4.594466   3.221547   4.328088   2.111264
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420028   0.000000
    43  H    3.653929   1.097645   0.000000
    44  H    3.997983   1.102355   1.797524   0.000000
    45  H    4.086678   1.101029   1.796235   1.790060   0.000000
    46  C    2.566237   2.488225   3.387403   2.931883   2.605341
    47  H    2.165145   3.418531   4.188201   3.866067   3.645010
    48  H    3.292766   2.764149   3.619429   3.388004   2.437321
    49  H    3.369173   2.754455   3.797076   2.784179   2.859206
                   46         47         48         49
    46  C    0.000000
    47  H    1.098637   0.000000
    48  H    1.103715   1.796371   0.000000
    49  H    1.101831   1.796170   1.791508   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2165233      0.1953421      0.1844780
 Leave Link  202 at Mon Nov 14 06:04:16 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.4387471399 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1853571044 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.2533900355 Hartrees.
 No density basis found on file   724.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4050
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.54D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     233
 GePol: Fraction of low-weight points (<1% of avg)   =       5.75%
 GePol: Cavity surface area                          =    468.317 Ang**2
 GePol: Cavity volume                                =    458.545 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040332011 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.2493568344 Hartrees.
 Leave Link  301 at Mon Nov 14 06:04:16 2016, MaxMem=  2952790016 cpu:         1.7
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 06:04:18 2016, MaxMem=  2952790016 cpu:        14.6
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 06:04:18 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000151    0.000152   -0.000079
         Rot=    1.000000   -0.000005    0.000009   -0.000005 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 06:04:19 2016, MaxMem=  2952790016 cpu:         6.8
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49207500.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.09D-14 for   3012.
 Iteration    1 A*A^-1 deviation from orthogonality  is 6.95D-15 for   2252    506.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.77D-15 for   3676.
 Iteration    1 A^-1*A deviation from orthogonality  is 7.00D-11 for   1813   1794.
 E= -1013.45147920708    
 DIIS: error= 1.59D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45147920708     IErMin= 1 ErrMin= 1.59D-05
 ErrMax= 1.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-07 BMatP= 4.14D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.90D-06 MaxDP=1.08D-04              OVMax= 1.60D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.90D-06    CP:  1.00D+00
 E= -1013.45147993049     Delta-E=       -0.000000723405 Rises=F Damp=F
 DIIS: error= 3.23D-06 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1013.45147993049     IErMin= 2 ErrMin= 3.23D-06
 ErrMax= 3.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.36D-09 BMatP= 4.14D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.270D-01 0.973D+00
 Coeff:      0.270D-01 0.973D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=8.31D-07 MaxDP=3.63D-05 DE=-7.23D-07 OVMax= 8.58D-05

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.12D-07    CP:  1.00D+00  9.58D-01
 E= -1013.45147989587     Delta-E=        0.000000034624 Rises=F Damp=F
 DIIS: error= 9.19D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -1013.45147993049     IErMin= 2 ErrMin= 3.23D-06
 ErrMax= 9.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-08 BMatP= 9.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.290D-02 0.709D+00 0.288D+00
 Coeff:      0.290D-02 0.709D+00 0.288D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=6.19D-07 MaxDP=3.16D-05 DE= 3.46D-08 OVMax= 7.32D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.85D-07    CP:  1.00D+00  9.73D-01  3.29D-01
 E= -1013.45147993758     Delta-E=       -0.000000041717 Rises=F Damp=F
 DIIS: error= 1.39D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1013.45147993758     IErMin= 4 ErrMin= 1.39D-06
 ErrMax= 1.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-09 BMatP= 9.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.625D-04 0.267D+00 0.173D+00 0.560D+00
 Coeff:      0.625D-04 0.267D+00 0.173D+00 0.560D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=1.27D-07 MaxDP=6.19D-06 DE=-4.17D-08 OVMax= 9.64D-06

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.54D-08    CP:  1.00D+00  9.76D-01  3.60D-01  6.12D-01
 E= -1013.45147993883     Delta-E=       -0.000000001246 Rises=F Damp=F
 DIIS: error= 4.99D-07 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1013.45147993883     IErMin= 5 ErrMin= 4.99D-07
 ErrMax= 4.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-10 BMatP= 1.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.156D-04 0.151D+00 0.103D+00 0.362D+00 0.383D+00
 Coeff:      0.156D-04 0.151D+00 0.103D+00 0.362D+00 0.383D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=2.55D-08 MaxDP=1.70D-06 DE=-1.25D-09 OVMax= 2.15D-06

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.95D-08    CP:  1.00D+00  9.77D-01  3.58D-01  6.18D-01  7.08D-01
 E= -1013.45147993890     Delta-E=       -0.000000000076 Rises=F Damp=F
 DIIS: error= 6.06D-08 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1013.45147993890     IErMin= 6 ErrMin= 6.06D-08
 ErrMax= 6.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-12 BMatP= 1.08D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.138D-04 0.411D-01 0.293D-01 0.106D+00 0.162D+00 0.662D+00
 Coeff:     -0.138D-04 0.411D-01 0.293D-01 0.106D+00 0.162D+00 0.662D+00
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=5.13D-09 MaxDP=2.99D-07 DE=-7.64D-11 OVMax= 2.44D-07

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45147994     A.U. after    6 cycles
            NFock=  6  Conv=0.51D-08     -V/T= 2.0213
 KE= 9.923516057845D+02 PE=-6.034026634964D+03 EE= 2.176974192407D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 06:05:38 2016, MaxMem=  2952790016 cpu:       889.0
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral first derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 Leave Link  701 at Mon Nov 14 06:05:46 2016, MaxMem=  2952790016 cpu:       100.1
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 06:05:46 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=      2527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    2527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 06:06:23 2016, MaxMem=  2952790016 cpu:       441.1
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21980017D+00-2.48952175D+00 3.31757362D+00
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000003247   -0.000002699   -0.000028096
      2        6          -0.000006796    0.000026217    0.000011164
      3        8           0.000001756    0.000036245    0.000005971
      4        7           0.000007170    0.000022243    0.000020359
      5        1           0.000006290    0.000027971    0.000019878
      6        6           0.000002387    0.000018615    0.000016956
      7        1           0.000006513    0.000012737    0.000030900
      8        1           0.000014652    0.000002817    0.000019002
      9        1           0.000007389    0.000017538    0.000024132
     10        6          -0.000001010    0.000016635   -0.000004760
     11        1           0.000000140    0.000009014    0.000001812
     12        1          -0.000007342    0.000022737    0.000004630
     13        1          -0.000000113    0.000023490    0.000004960
     14        6          -0.000015391   -0.000002718   -0.000020173
     15        8          -0.000007225   -0.000013008   -0.000024762
     16        7          -0.000009765    0.000003682   -0.000030777
     17        1          -0.000008985   -0.000002404   -0.000031130
     18        6          -0.000004564    0.000004595   -0.000021920
     19        1          -0.000005811    0.000012997   -0.000014516
     20        1          -0.000008650    0.000008472   -0.000023484
     21        1          -0.000007688   -0.000003450   -0.000013429
     22        6          -0.000008078    0.000011483   -0.000010506
     23        1          -0.000012932    0.000024982   -0.000038000
     24        1          -0.000001252    0.000025218   -0.000024845
     25        1          -0.000011265    0.000014166   -0.000030096
     26        6           0.000000384   -0.000016054    0.000007894
     27        8           0.000003873   -0.000019139    0.000015956
     28        7          -0.000004191   -0.000017286    0.000002315
     29        1           0.000001282   -0.000007813    0.000004960
     30        6          -0.000002599   -0.000010323   -0.000011500
     31        1          -0.000006077   -0.000015364   -0.000018455
     32        1          -0.000002528   -0.000003372   -0.000019255
     33        1          -0.000002427   -0.000003048   -0.000011490
     34        6          -0.000000852   -0.000023144   -0.000009132
     35        1          -0.000000451   -0.000033527   -0.000008169
     36        1           0.000004145   -0.000025461    0.000003937
     37        1          -0.000002646   -0.000021153   -0.000012045
     38        6           0.000001339    0.000004794    0.000008225
     39        8           0.000005331    0.000006827    0.000024133
     40        7           0.000012020   -0.000008384    0.000025489
     41        1           0.000006779   -0.000003501    0.000012622
     42        6          -0.000003623   -0.000025518    0.000050630
     43        1           0.000010380   -0.000002310    0.000023715
     44        1           0.000023208   -0.000001946    0.000015510
     45        1           0.000005246   -0.000009849    0.000014424
     46        6           0.000002419   -0.000012151    0.000013646
     47        1           0.000002872   -0.000020817    0.000003114
     48        1           0.000006619   -0.000021720    0.000004999
     49        1           0.000006821   -0.000027314    0.000015208
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000050630 RMS     0.000015572
 Leave Link  716 at Mon Nov 14 06:06:23 2016, MaxMem=  2952790016 cpu:         0.4
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Internal  Forces:  Max     0.000005859 RMS     0.000001090
 Search for a local minimum.
 Step number 137 out of a maximum of  294
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 RMS Force = .10903D-05 SwitMx=.10000D-02 MixMth= 2
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points  112  113  114  115  116
                                                    117  118  119  120  121
                                                    122  123  124  125  126
                                                    127  128  129  130  131
                                                    132  133  134  135  136
                                                    137
 DE= -8.64D-08 DEPred=-4.97D-08 R= 1.74D+00
 Trust test= 1.74D+00 RLast= 1.08D-02 DXMaxT set to 2.83D-01
 ITU=  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1 -1  1 -1
 ITU=  0 -1  1  1  1  0 -1  0  0 -1  1  1  0  0  0  0  0  0  0  0
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  0
 ITU=  1  1 -1  1 -1 -1  1  1 -1  0  1  1 -1  1 -1 -1  1  0  0  0
 ITU=  0  0  0 -1  0  0  0  0  1  0 -1  1  0  1  1  0  0  1  1  1
     Eigenvalues ---    0.00002   0.00023   0.00062   0.00072   0.00081
     Eigenvalues ---    0.00095   0.00106   0.00120   0.00147   0.00184
     Eigenvalues ---    0.00207   0.00224   0.00243   0.00333   0.00358
     Eigenvalues ---    0.00477   0.00488   0.00585   0.00636   0.00711
     Eigenvalues ---    0.00744   0.00814   0.00878   0.00939   0.00954
     Eigenvalues ---    0.01035   0.01075   0.01213   0.01238   0.01349
     Eigenvalues ---    0.01440   0.01457   0.01520   0.01606   0.01709
     Eigenvalues ---    0.01763   0.01786   0.01824   0.01919   0.01950
     Eigenvalues ---    0.02042   0.02121   0.02158   0.02226   0.02363
     Eigenvalues ---    0.02440   0.02511   0.02613   0.02748   0.03082
     Eigenvalues ---    0.03185   0.03268   0.04062   0.04505   0.04700
     Eigenvalues ---    0.05068   0.05622   0.05850   0.05984   0.06271
     Eigenvalues ---    0.06361   0.06484   0.06738   0.06906   0.07018
     Eigenvalues ---    0.07206   0.07363   0.07495   0.07699   0.07981
     Eigenvalues ---    0.08205   0.08406   0.08616   0.08847   0.08969
     Eigenvalues ---    0.09115   0.09249   0.09390   0.09483   0.09628
     Eigenvalues ---    0.09864   0.10026   0.10159   0.10459   0.10764
     Eigenvalues ---    0.10842   0.11091   0.11119   0.11388   0.12930
     Eigenvalues ---    0.12997   0.13984   0.14370   0.14714   0.15101
     Eigenvalues ---    0.15232   0.15371   0.20852   0.22197   0.22675
     Eigenvalues ---    0.23386   0.24632   0.24775   0.25301   0.25857
     Eigenvalues ---    0.26934   0.27452   0.28025   0.28664   0.29347
     Eigenvalues ---    0.29655   0.30510   0.32786   0.32805   0.32859
     Eigenvalues ---    0.32950   0.33249   0.33304   0.33364   0.33371
     Eigenvalues ---    0.33390   0.33422   0.33459   0.33509   0.33730
     Eigenvalues ---    0.33814   0.33823   0.33838   0.33958   0.33977
     Eigenvalues ---    0.34071   0.34227   0.34286   0.35859   0.37194
     Eigenvalues ---    0.39595   0.40821   0.86155   0.86322   0.86901
     Eigenvalues ---    0.89844
 Eigenvalue     1 is   2.01D-05 Eigenvector:
                         D399      D397      D395      D407      D379
   1                   -0.23132  -0.22853  -0.22359  -0.22326  -0.22203
                         D401      D393      D405      D377      D381
   1                   -0.22189  -0.22114  -0.22114  -0.22101  -0.22045
 En-DIIS/RFO-DIIS IScMMF=        0 using points:   137  136  135  134  133
 RFO step:  Lambda=-3.97560543D-09.
 NNeg= 0 NP= 5 Switch=  2.50D-03 Rises=F DC=  3.55D-07 SmlDif=  1.00D-05
 RMS Error=  0.7483741023D-05 NUsed= 5 EDIIS=F
 DidBck=F Rises=F RFO-DIIS coefs:    1.23176    0.06559   -0.64174    0.37395   -0.02956
 Iteration  1 RMS(Cart)=  0.00019809 RMS(Int)=  0.00000025
 Iteration  2 RMS(Cart)=  0.00000024 RMS(Int)=  0.00000014
 ITry= 1 IFail=0 DXMaxC= 1.69D-03 DCOld= 1.00D+10 DXMaxT= 2.83D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58559   0.00000   0.00038   0.00020   0.00058   6.58616
    R2        6.25214   0.00000  -0.00012  -0.00008  -0.00019   6.25195
    R3        7.16683   0.00000  -0.00019   0.00031   0.00012   7.16696
    R4        6.20972   0.00000  -0.00030   0.00072   0.00043   6.21015
    R5        6.54742   0.00000  -0.00040  -0.00011  -0.00052   6.54691
    R6        5.94141   0.00000  -0.00022   0.00016  -0.00006   5.94135
    R7        6.68765   0.00000   0.00008  -0.00001   0.00007   6.68772
    R8        6.21590   0.00000   0.00005  -0.00008  -0.00003   6.21587
    R9        6.63849   0.00000   0.00014  -0.00001   0.00013   6.63862
   R10        6.06550   0.00000   0.00044   0.00000   0.00044   6.06594
   R11        6.93766   0.00000   0.00017  -0.00016   0.00001   6.93767
   R12        6.02080   0.00000   0.00021  -0.00012   0.00009   6.02089
   R13        6.88834   0.00000  -0.00019  -0.00006  -0.00025   6.88810
   R14        6.19164   0.00000   0.00009   0.00002   0.00011   6.19175
   R15        6.83083   0.00000  -0.00004   0.00007   0.00003   6.83086
   R16        5.92838   0.00000  -0.00018   0.00007  -0.00011   5.92827
   R17        6.68968   0.00000   0.00031   0.00006   0.00038   6.69005
   R18        6.54479   0.00000   0.00026  -0.00007   0.00019   6.54498
   R19        6.22839   0.00000  -0.00002   0.00013   0.00011   6.22850
   R20        6.55928   0.00000  -0.00020  -0.00007  -0.00027   6.55901
   R21        6.01623   0.00000  -0.00022   0.00006  -0.00016   6.01607
   R22        7.05580   0.00000   0.00020   0.00026   0.00045   7.05625
   R23        6.07784   0.00000   0.00042   0.00027   0.00069   6.07852
   R24        2.34930   0.00000   0.00000   0.00000  -0.00001   2.34930
   R25        2.57226   0.00000   0.00000   0.00000   0.00000   2.57226
   R26        2.09477   0.00000   0.00000   0.00000   0.00000   2.09477
   R27        2.76525   0.00000   0.00000   0.00000   0.00000   2.76525
   R28        2.76797   0.00000   0.00001   0.00000   0.00002   2.76799
   R29        2.07674   0.00000   0.00000   0.00000   0.00000   2.07674
   R30        2.08280   0.00000   0.00000  -0.00001  -0.00001   2.08280
   R31        2.08251   0.00000   0.00000   0.00000   0.00001   2.08252
   R32        2.08118   0.00000   0.00000  -0.00001   0.00000   2.08117
   R33        2.07442   0.00000   0.00000   0.00000   0.00000   2.07442
   R34        2.08337   0.00000   0.00000   0.00000   0.00000   2.08337
   R35        2.34859   0.00000   0.00000   0.00000   0.00000   2.34859
   R36        2.57152   0.00000   0.00000   0.00001   0.00000   2.57152
   R37        2.09433   0.00000   0.00000   0.00000   0.00000   2.09433
   R38        2.76968   0.00000  -0.00003  -0.00001  -0.00004   2.76965
   R39        2.76536   0.00000  -0.00002   0.00000  -0.00002   2.76534
   R40        2.08097   0.00000   0.00000  -0.00001  -0.00001   2.08096
   R41        2.08407   0.00000   0.00000   0.00000   0.00000   2.08407
   R42        2.07371   0.00000   0.00000   0.00000   0.00000   2.07371
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08380   0.00000   0.00000   0.00000   0.00001   2.08381
   R45        2.07670   0.00000   0.00000   0.00000   0.00000   2.07670
   R46        2.34804   0.00000   0.00000   0.00000   0.00000   2.34804
   R47        2.57219   0.00000   0.00000   0.00000   0.00000   2.57219
   R48        2.09357   0.00000   0.00000   0.00000   0.00000   2.09357
   R49        2.76617   0.00000   0.00001   0.00000   0.00001   2.76618
   R50        2.76854   0.00000   0.00000  -0.00001  -0.00001   2.76853
   R51        2.08446   0.00000   0.00000   0.00000   0.00000   2.08446
   R52        2.08302   0.00000   0.00000  -0.00001  -0.00001   2.08301
   R53        2.07646   0.00000   0.00000   0.00000   0.00000   2.07645
   R54        2.08522   0.00000   0.00000   0.00000   0.00000   2.08522
   R55        2.07367   0.00000   0.00000   0.00000   0.00000   2.07367
   R56        2.07743   0.00000   0.00000   0.00000   0.00000   2.07743
   R57        2.34941  -0.00001  -0.00001   0.00000  -0.00001   2.34940
   R58        2.57235   0.00000   0.00001  -0.00001   0.00000   2.57236
   R59        2.09441   0.00000   0.00000   0.00000   0.00000   2.09441
   R60        2.77027   0.00000   0.00001  -0.00002  -0.00001   2.77026
   R61        2.76532   0.00000  -0.00003   0.00001  -0.00002   2.76530
   R62        2.07425   0.00000   0.00000   0.00001   0.00001   2.07426
   R63        2.08315   0.00000   0.00000   0.00000   0.00000   2.08314
   R64        2.08064   0.00000   0.00002  -0.00002   0.00000   2.08064
   R65        2.07612   0.00000   0.00000   0.00000   0.00001   2.07613
   R66        2.08572   0.00000   0.00000   0.00000   0.00000   2.08572
   R67        2.08216   0.00000   0.00000   0.00000   0.00000   2.08216
    A1        0.68629   0.00000   0.00000  -0.00003  -0.00003   0.68627
    A2        0.96385   0.00000   0.00000  -0.00001  -0.00001   0.96383
    A3        0.72679   0.00000  -0.00001  -0.00001  -0.00002   0.72677
    A4        1.02048   0.00000   0.00000  -0.00001  -0.00001   1.02046
    A5        2.36783   0.00000  -0.00006  -0.00003  -0.00009   2.36774
    A6        2.03539   0.00000  -0.00001  -0.00001  -0.00002   2.03537
    A7        1.96783   0.00000   0.00007   0.00003   0.00010   1.96793
    A8        1.66754   0.00000   0.00007   0.00004   0.00012   1.66766
    A9        1.67298   0.00000  -0.00003  -0.00004  -0.00007   1.67291
   A10        1.38803   0.00000  -0.00002  -0.00004  -0.00006   1.38797
   A11        1.74207   0.00000  -0.00001   0.00001   0.00000   1.74207
   A12        2.04926   0.00000  -0.00003   0.00001  -0.00002   2.04924
   A13        1.95713   0.00000  -0.00007  -0.00001  -0.00007   1.95705
   A14        2.05288   0.00000  -0.00009  -0.00003  -0.00012   2.05276
   A15        2.44090   0.00000  -0.00001   0.00001   0.00000   2.44090
   A16        1.61712   0.00000   0.00028   0.00008   0.00035   1.61748
   A17        1.81598   0.00000   0.00024   0.00010   0.00034   1.81632
   A18        1.58960   0.00000   0.00015   0.00012   0.00027   1.58987
   A19        1.72403   0.00000   0.00009   0.00014   0.00023   1.72427
   A20        2.21572   0.00000   0.00021   0.00009   0.00030   2.21602
   A21        2.43463   0.00000   0.00018   0.00010   0.00028   2.43491
   A22        0.65159   0.00000   0.00003  -0.00004  -0.00001   0.65158
   A23        0.66224   0.00000   0.00001  -0.00001   0.00001   0.66225
   A24        2.44907   0.00000  -0.00008  -0.00008  -0.00016   2.44891
   A25        2.25665   0.00000  -0.00002  -0.00005  -0.00008   2.25658
   A26        2.32487   0.00000   0.00005   0.00000   0.00005   2.32492
   A27        2.04638   0.00000   0.00005   0.00003   0.00008   2.04646
   A28        1.84954   0.00000  -0.00001  -0.00007  -0.00008   1.84946
   A29        1.60154   0.00000   0.00000  -0.00006  -0.00005   1.60149
   A30        1.34597   0.00000   0.00001   0.00003   0.00003   1.34601
   A31        1.65072   0.00000  -0.00001   0.00002   0.00001   1.65073
   A32        1.60927   0.00000  -0.00004  -0.00001  -0.00005   1.60922
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   A325       2.93168   0.00000   0.00007   0.00002   0.00009   2.93176
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   A329       3.25664   0.00000  -0.00017   0.00001  -0.00016   3.25648
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   D373      -1.71164   0.00000   0.00129   0.00127   0.00255  -1.70908
   D374       0.96554   0.00000   0.00019  -0.00008   0.00011   0.96565
   D375      -1.44464   0.00000   0.00124   0.00128   0.00253  -1.44211
   D376       0.73202   0.00000   0.00026  -0.00007   0.00019   0.73221
   D377      -1.67816   0.00000   0.00131   0.00129   0.00260  -1.67556
   D378       1.07423   0.00000   0.00029  -0.00004   0.00025   1.07448
   D379      -1.33595   0.00000   0.00135   0.00132   0.00266  -1.33328
   D380      -2.67195   0.00000   0.00020  -0.00015   0.00004  -2.67191
   D381       1.20106   0.00000   0.00125   0.00121   0.00246   1.20351
   D382      -2.15943   0.00000   0.00016  -0.00017  -0.00001  -2.15944
   D383       1.71358   0.00000   0.00121   0.00119   0.00240   1.71598
   D384      -1.91878   0.00000   0.00013  -0.00015  -0.00002  -1.91880
   D385       1.95423   0.00000   0.00119   0.00121   0.00240   1.95663
   D386      -1.59143   0.00000   0.00013  -0.00015  -0.00001  -1.59144
   D387       2.28158   0.00000   0.00119   0.00121   0.00240   2.28398
   D388      -1.72775   0.00000   0.00008  -0.00021  -0.00013  -1.72788
   D389       2.14525   0.00000   0.00113   0.00115   0.00229   2.14754
   D390      -1.17544   0.00000   0.00001  -0.00016  -0.00015  -1.17559
   D391       2.69757   0.00000   0.00106   0.00120   0.00226   2.69984
   D392       1.82740   0.00000   0.00022  -0.00007   0.00016   1.82756
   D393      -0.58278   0.00000   0.00128   0.00129   0.00257  -0.58021
   D394       2.13961   0.00000   0.00024  -0.00005   0.00020   2.13981
   D395      -0.27056   0.00000   0.00130   0.00131   0.00261  -0.26795
   D396       2.11383   0.00000   0.00027  -0.00002   0.00026   2.11408
   D397      -0.29635   0.00000   0.00133   0.00134   0.00267  -0.29368
   D398       2.35077   0.00000   0.00028  -0.00002   0.00026   2.35103
   D399      -0.05941   0.00000   0.00133   0.00134   0.00267  -0.05674
   D400       2.52926   0.00000   0.00023  -0.00006   0.00017   2.52943
   D401       0.11909   0.00000   0.00128   0.00130   0.00258   0.12167
   D402      -1.53299   0.00000   0.00001  -0.00005  -0.00004  -1.53303
   D403       2.34001   0.00000   0.00106   0.00131   0.00237   2.34239
   D404      -2.62597   0.00000   0.00006  -0.00003   0.00002  -2.62595
   D405       1.24704   0.00000   0.00111   0.00133   0.00244   1.24947
   D406      -2.97202   0.00000   0.00006  -0.00002   0.00004  -2.97198
   D407       0.90098   0.00000   0.00111   0.00134   0.00245   0.90344
   D408       1.92171   0.00000   0.00017  -0.00009   0.00008   1.92179
   D409       2.43064   0.00000   0.00023  -0.00006   0.00017   2.43081
   D410       2.65719   0.00000   0.00019  -0.00005   0.00014   2.65733
   D411       2.88425   0.00000   0.00014   0.00001   0.00014   2.88439
   D412       2.88631   0.00000   0.00046   0.00000   0.00046   2.88676
   D413      -2.90153   0.00000   0.00038   0.00004   0.00042  -2.90111
   D414      -0.70820   0.00000   0.00010  -0.00010   0.00000  -0.70820
   D415      -0.33254   0.00000   0.00010  -0.00010   0.00000  -0.33255
   D416      -0.00532   0.00000   0.00010  -0.00011  -0.00001  -0.00533
   D417       0.29942   0.00000   0.00008  -0.00010  -0.00002   0.29940
   D418      -0.22216   0.00000   0.00007  -0.00010  -0.00002  -0.22219
   D419       0.07011   0.00000   0.00004  -0.00008  -0.00005   0.07007
   D420      -2.52570   0.00000   0.00012  -0.00005   0.00007  -2.52564
   D421      -2.14499   0.00000   0.00013  -0.00005   0.00008  -2.14491
   D422      -1.88165   0.00000   0.00014  -0.00004   0.00010  -1.88155
   D423      -1.56475   0.00000   0.00011  -0.00005   0.00006  -1.56469
   D424      -1.95047   0.00000   0.00013  -0.00007   0.00006  -1.95041
   D425       1.29544   0.00000  -0.00002  -0.00003  -0.00005   1.29539
   D426       2.46945   0.00000   0.00000  -0.00001  -0.00001   2.46944
   D427       2.94720   0.00000   0.00001   0.00001   0.00002   2.94722
   D428      -3.05052   0.00000  -0.00016  -0.00026  -0.00042  -3.05093
   D429       0.02549   0.00000  -0.00007   0.00005  -0.00002   0.02547
   D430       0.06107   0.00000  -0.00009  -0.00027  -0.00036   0.06071
   D431       3.13709   0.00000   0.00000   0.00003   0.00003   3.13712
   D432      -0.12087   0.00000   0.00005   0.00048   0.00053  -0.12035
   D433       1.97767   0.00000   0.00005   0.00048   0.00053   1.97820
   D434      -2.21801   0.00000   0.00004   0.00047   0.00051  -2.21750
   D435       3.08296   0.00000  -0.00003   0.00019   0.00016   3.08311
   D436      -1.10168   0.00000  -0.00003   0.00019   0.00016  -1.10152
   D437       0.98581   0.00000  -0.00004   0.00018   0.00014   0.98596
   D438      -2.33620   0.00000  -0.00036  -0.00031  -0.00066  -2.33686
   D439      -0.24502   0.00000  -0.00041  -0.00033  -0.00074  -0.24576
   D440       1.86304   0.00000  -0.00039  -0.00033  -0.00071   1.86232
   D441       0.74296   0.00000  -0.00027  -0.00002  -0.00029   0.74267
   D442       2.83414   0.00000  -0.00033  -0.00004  -0.00037   2.83378
   D443      -1.34098   0.00000  -0.00030  -0.00004  -0.00034  -1.34133
   D444       0.00483   0.00000   0.00002  -0.00002   0.00000   0.00483
   D445       3.11274   0.00000   0.00015   0.00000   0.00016   3.11290
   D446      -3.11408   0.00000   0.00006  -0.00002   0.00004  -3.11403
   D447      -0.00616   0.00000   0.00020   0.00000   0.00020  -0.00596
   D448       2.43153   0.00000   0.00023   0.00003   0.00027   2.43179
   D449      -1.76827   0.00000   0.00024   0.00005   0.00029  -1.76798
   D450       0.33976   0.00000   0.00026   0.00005   0.00031   0.34006
   D451      -0.67799   0.00000   0.00011   0.00002   0.00012  -0.67787
   D452       1.40540   0.00000   0.00011   0.00003   0.00014   1.40555
   D453      -2.76976   0.00000   0.00013   0.00003   0.00016  -2.76960
   D454       2.04704   0.00000  -0.00004  -0.00006  -0.00011   2.04693
   D455      -2.15235   0.00000  -0.00003  -0.00006  -0.00009  -2.15244
   D456      -0.05910   0.00000  -0.00003  -0.00007  -0.00010  -0.05921
   D457      -1.12662   0.00000   0.00009  -0.00005   0.00004  -1.12658
   D458       0.95718   0.00000   0.00010  -0.00004   0.00006   0.95723
   D459       3.05042   0.00000   0.00009  -0.00005   0.00004   3.05047
   D460      -3.08689   0.00000  -0.00003   0.00000  -0.00002  -3.08691
   D461      -0.02190   0.00000   0.00007   0.00000   0.00007  -0.02183
   D462       0.06868   0.00000  -0.00005   0.00004  -0.00001   0.06867
   D463       3.13367   0.00000   0.00004   0.00004   0.00008   3.13375
   D464       1.91638   0.00000   0.00027   0.00005   0.00031   1.91669
   D465      -2.28459   0.00000   0.00022   0.00005   0.00028  -2.28432
   D466      -0.19183   0.00000   0.00026   0.00006   0.00031  -0.19152
   D467      -1.15167   0.00000   0.00017   0.00005   0.00023  -1.15145
   D468       0.93054   0.00000   0.00013   0.00006   0.00019   0.93073
   D469       3.02331   0.00000   0.00016   0.00006   0.00023   3.02353
   D470      -1.63502   0.00000  -0.00040  -0.00006  -0.00046  -1.63548
   D471       0.46973   0.00000  -0.00038  -0.00007  -0.00044   0.46928
   D472       2.56030   0.00000  -0.00037  -0.00006  -0.00043   2.55987
   D473       1.43344   0.00000  -0.00030  -0.00007  -0.00037   1.43307
   D474      -2.74500   0.00000  -0.00028  -0.00007  -0.00036  -2.74536
   D475      -0.65443   0.00000  -0.00028  -0.00006  -0.00034  -0.65477
   D476       0.01579   0.00000  -0.00006  -0.00003  -0.00009   0.01570
   D477      -3.02204   0.00000  -0.00022   0.00008  -0.00014  -3.02218
   D478       3.12904   0.00000  -0.00005  -0.00003  -0.00008   3.12896
   D479       0.09121   0.00000  -0.00021   0.00007  -0.00014   0.09107
   D480      -0.27620   0.00000  -0.00015   0.00000  -0.00015  -0.27636
   D481       1.83201   0.00000  -0.00014  -0.00002  -0.00016   1.83185
   D482      -2.36851   0.00000  -0.00010   0.00001  -0.00009  -2.36860
   D483       2.76690   0.00000   0.00000  -0.00010  -0.00010   2.76680
   D484      -1.40807   0.00000   0.00001  -0.00012  -0.00011  -1.40818
   D485       0.67459   0.00000   0.00005  -0.00009  -0.00004   0.67455
   D486      -0.11118   0.00000   0.00020  -0.00006   0.00014  -0.11104
   D487       1.98532   0.00000   0.00020  -0.00008   0.00012   1.98544
   D488      -2.21349   0.00000   0.00022  -0.00007   0.00015  -2.21334
   D489       3.12879   0.00000   0.00005   0.00004   0.00009   3.12887
   D490      -1.05790   0.00000   0.00005   0.00002   0.00007  -1.05783
   D491       1.02648   0.00000   0.00007   0.00003   0.00010   1.02658
         Item               Value     Threshold  Converged?
 Maximum Force            0.000006     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.001688     0.001800     YES
 RMS     Displacement     0.000198     0.001200     YES
 Predicted change in Energy=-2.889593D-08
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  3.4849         -DE/DX =    0.0                 !
 ! R2    R(1,4)                  3.3085         -DE/DX =    0.0                 !
 ! R3    R(1,6)                  3.7925         -DE/DX =    0.0                 !
 ! R4    R(1,8)                  3.286          -DE/DX =    0.0                 !
 ! R5    R(1,10)                 3.4647         -DE/DX =    0.0                 !
 ! R6    R(1,11)                 3.1441         -DE/DX =    0.0                 !
 ! R7    R(1,14)                 3.539          -DE/DX =    0.0                 !
 ! R8    R(1,16)                 3.2893         -DE/DX =    0.0                 !
 ! R9    R(1,18)                 3.5129         -DE/DX =    0.0                 !
 ! R10   R(1,19)                 3.2097         -DE/DX =    0.0                 !
 ! R11   R(1,22)                 3.6713         -DE/DX =    0.0                 !
 ! R12   R(1,24)                 3.1861         -DE/DX =    0.0                 !
 ! R13   R(1,26)                 3.6452         -DE/DX =    0.0                 !
 ! R14   R(1,28)                 3.2765         -DE/DX =    0.0                 !
 ! R15   R(1,30)                 3.6147         -DE/DX =    0.0                 !
 ! R16   R(1,32)                 3.1372         -DE/DX =    0.0                 !
 ! R17   R(1,34)                 3.54           -DE/DX =    0.0                 !
 ! R18   R(1,38)                 3.4634         -DE/DX =    0.0                 !
 ! R19   R(1,40)                 3.2959         -DE/DX =    0.0                 !
 ! R20   R(1,42)                 3.471          -DE/DX =    0.0                 !
 ! R21   R(1,45)                 3.1837         -DE/DX =    0.0                 !
 ! R22   R(1,46)                 3.7338         -DE/DX =    0.0                 !
 ! R23   R(1,48)                 3.2163         -DE/DX =    0.0                 !
 ! R24   R(2,3)                  1.2432         -DE/DX =    0.0                 !
 ! R25   R(2,4)                  1.3612         -DE/DX =    0.0                 !
 ! R26   R(2,5)                  1.1085         -DE/DX =    0.0                 !
 ! R27   R(4,6)                  1.4633         -DE/DX =    0.0                 !
 ! R28   R(4,10)                 1.4647         -DE/DX =    0.0                 !
 ! R29   R(6,7)                  1.099          -DE/DX =    0.0                 !
 ! R30   R(6,8)                  1.1022         -DE/DX =    0.0                 !
 ! R31   R(6,9)                  1.102          -DE/DX =    0.0                 !
 ! R32   R(10,11)                1.1013         -DE/DX =    0.0                 !
 ! R33   R(10,12)                1.0977         -DE/DX =    0.0                 !
 ! R34   R(10,13)                1.1025         -DE/DX =    0.0                 !
 ! R35   R(14,15)                1.2428         -DE/DX =    0.0                 !
 ! R36   R(14,16)                1.3608         -DE/DX =    0.0                 !
 ! R37   R(14,17)                1.1083         -DE/DX =    0.0                 !
 ! R38   R(16,18)                1.4657         -DE/DX =    0.0                 !
 ! R39   R(16,22)                1.4634         -DE/DX =    0.0                 !
 ! R40   R(18,19)                1.1012         -DE/DX =    0.0                 !
 ! R41   R(18,20)                1.1028         -DE/DX =    0.0                 !
 ! R42   R(18,21)                1.0974         -DE/DX =    0.0                 !
 ! R43   R(22,23)                1.1024         -DE/DX =    0.0                 !
 ! R44   R(22,24)                1.1027         -DE/DX =    0.0                 !
 ! R45   R(22,25)                1.0989         -DE/DX =    0.0                 !
 ! R46   R(26,27)                1.2425         -DE/DX =    0.0                 !
 ! R47   R(26,28)                1.3611         -DE/DX =    0.0                 !
 ! R48   R(26,29)                1.1079         -DE/DX =    0.0                 !
 ! R49   R(28,30)                1.4638         -DE/DX =    0.0                 !
 ! R50   R(28,34)                1.465          -DE/DX =    0.0                 !
 ! R51   R(30,31)                1.103          -DE/DX =    0.0                 !
 ! R52   R(30,32)                1.1023         -DE/DX =    0.0                 !
 ! R53   R(30,33)                1.0988         -DE/DX =    0.0                 !
 ! R54   R(34,35)                1.1035         -DE/DX =    0.0                 !
 ! R55   R(34,36)                1.0973         -DE/DX =    0.0                 !
 ! R56   R(34,37)                1.0993         -DE/DX =    0.0                 !
 ! R57   R(38,39)                1.2433         -DE/DX =    0.0                 !
 ! R58   R(38,40)                1.3612         -DE/DX =    0.0                 !
 ! R59   R(38,41)                1.1083         -DE/DX =    0.0                 !
 ! R60   R(40,42)                1.466          -DE/DX =    0.0                 !
 ! R61   R(40,46)                1.4633         -DE/DX =    0.0                 !
 ! R62   R(42,43)                1.0976         -DE/DX =    0.0                 !
 ! R63   R(42,44)                1.1024         -DE/DX =    0.0                 !
 ! R64   R(42,45)                1.101          -DE/DX =    0.0                 !
 ! R65   R(46,47)                1.0986         -DE/DX =    0.0                 !
 ! R66   R(46,48)                1.1037         -DE/DX =    0.0                 !
 ! R67   R(46,49)                1.1018         -DE/DX =    0.0                 !
 ! A1    A(2,1,6)               39.3217         -DE/DX =    0.0                 !
 ! A2    A(2,1,8)               55.2243         -DE/DX =    0.0                 !
 ! A3    A(2,1,10)              41.6417         -DE/DX =    0.0                 !
 ! A4    A(2,1,11)              58.469          -DE/DX =    0.0                 !
 ! A5    A(2,1,14)             135.6668         -DE/DX =    0.0                 !
 ! A6    A(2,1,16)             116.6195         -DE/DX =    0.0                 !
 ! A7    A(2,1,18)             112.7484         -DE/DX =    0.0                 !
 ! A8    A(2,1,19)              95.5432         -DE/DX =    0.0                 !
 ! A9    A(2,1,22)              95.8547         -DE/DX =    0.0                 !
 ! A10   A(2,1,24)              79.5283         -DE/DX =    0.0                 !
 ! A11   A(2,1,26)              99.8133         -DE/DX =    0.0                 !
 ! A12   A(2,1,28)             117.414          -DE/DX =    0.0                 !
 ! A13   A(2,1,30)             112.1351         -DE/DX =    0.0                 !
 ! A14   A(2,1,32)             117.6213         -DE/DX =    0.0                 !
 ! A15   A(2,1,34)             139.8531         -DE/DX =    0.0                 !
 ! A16   A(2,1,38)              92.6544         -DE/DX =    0.0                 !
 ! A17   A(2,1,40)             104.048          -DE/DX =    0.0                 !
 ! A18   A(2,1,42)              91.0773         -DE/DX =    0.0                 !
 ! A19   A(2,1,45)              98.7799         -DE/DX =    0.0                 !
 ! A20   A(2,1,46)             126.9513         -DE/DX =    0.0                 !
 ! A21   A(2,1,48)             139.494          -DE/DX =    0.0                 !
 ! A22   A(4,1,8)               37.3333         -DE/DX =    0.0                 !
 ! A23   A(4,1,11)              37.9437         -DE/DX =    0.0                 !
 ! A24   A(4,1,14)             140.3214         -DE/DX =    0.0                 !
 ! A25   A(4,1,16)             129.2967         -DE/DX =    0.0                 !
 ! A26   A(4,1,18)             133.2052         -DE/DX =    0.0                 !
 ! A27   A(4,1,19)             117.2487         -DE/DX =    0.0                 !
 ! A28   A(4,1,22)             105.971          -DE/DX =    0.0                 !
 ! A29   A(4,1,24)              91.7617         -DE/DX =    0.0                 !
 ! A30   A(4,1,26)              77.1186         -DE/DX =    0.0                 !
 ! A31   A(4,1,28)              94.5793         -DE/DX =    0.0                 !
 ! A32   A(4,1,30)              92.2044         -DE/DX =    0.0                 !
 ! A33   A(4,1,32)             101.5555         -DE/DX =    0.0                 !
 ! A34   A(4,1,34)             117.0497         -DE/DX =    0.0                 !
 ! A35   A(4,1,38)             107.7967         -DE/DX =    0.0                 !
 ! A36   A(4,1,40)             111.4947         -DE/DX =    0.0                 !
 ! A37   A(4,1,42)              91.2956         -DE/DX =    0.0                 !
 ! A38   A(4,1,45)              91.9731         -DE/DX =    0.0                 !
 ! A39   A(4,1,46)             131.4741         -DE/DX =    0.0                 !
 ! A40   A(4,1,48)             136.7199         -DE/DX =    0.0                 !
 ! A41   A(6,1,10)              39.8063         -DE/DX =    0.0                 !
 ! A42   A(6,1,11)              43.4245         -DE/DX =    0.0                 !
 ! A43   A(6,1,14)             156.4005         -DE/DX =    0.0                 !
 ! A44   A(6,1,16)             151.659          -DE/DX =    0.0                 !
 ! A45   A(6,1,18)             151.5204         -DE/DX =    0.0                 !
 ! A46   A(6,1,19)             133.5541         -DE/DX =    0.0                 !
 ! A47   A(6,1,22)             128.2237         -DE/DX =    0.0                 !
 ! A48   A(6,1,24)             114.2357         -DE/DX =    0.0                 !
 ! A49   A(6,1,26)              63.6574         -DE/DX =    0.0                 !
 ! A50   A(6,1,28)              84.5091         -DE/DX =    0.0                 !
 ! A51   A(6,1,30)              91.0476         -DE/DX =    0.0                 !
 ! A52   A(6,1,32)             105.1279         -DE/DX =    0.0                 !
 ! A53   A(6,1,34)             102.5867         -DE/DX =    0.0                 !
 ! A54   A(6,1,38)              99.3154         -DE/DX =    0.0                 !
 ! A55   A(6,1,40)              95.3656         -DE/DX =    0.0                 !
 ! A56   A(6,1,42)              72.2623         -DE/DX =    0.0                 !
 ! A57   A(6,1,45)              70.1106         -DE/DX =    0.0                 !
 ! A58   A(6,1,46)             111.8272         -DE/DX =    0.0                 !
 ! A59   A(6,1,48)             114.5795         -DE/DX =    0.0                 !
 ! A60   A(8,1,10)              48.7052         -DE/DX =    0.0                 !
 ! A61   A(8,1,11)              45.5266         -DE/DX =    0.0                 !
 ! A62   A(8,1,14)             152.4863         -DE/DX =    0.0                 !
 ! A63   A(8,1,16)             162.4194         -DE/DX =    0.0                 !
 ! A64   A(8,1,19)             147.8135         -DE/DX =    0.0                 !
 ! A65   A(8,1,22)             140.2304         -DE/DX =    0.0                 !
 ! A66   A(8,1,24)             128.332          -DE/DX =    0.0                 !
 ! A67   A(8,1,26)              50.1708         -DE/DX =    0.0                 !
 ! A68   A(8,1,28)              71.8405         -DE/DX =    0.0                 !
 ! A69   A(8,1,30)              83.0128         -DE/DX =    0.0                 !
 ! A70   A(8,1,32)              99.0002         -DE/DX =    0.0                 !
 ! A71   A(8,1,34)              87.5746         -DE/DX =    0.0                 !
 ! A72   A(8,1,38)              99.7233         -DE/DX =    0.0                 !
 ! A73   A(8,1,40)              89.7637         -DE/DX =    0.0                 !
 ! A74   A(8,1,42)              65.0834         -DE/DX =    0.0                 !
 ! A75   A(8,1,45)              58.5917         -DE/DX =    0.0                 !
 ! A76   A(8,1,46)             101.8488         -DE/DX =    0.0                 !
 ! A77   A(8,1,48)             101.4151         -DE/DX =    0.0                 !
 ! A78   A(10,1,14)            117.9767         -DE/DX =    0.0                 !
 ! A79   A(10,1,16)            114.1528         -DE/DX =    0.0                 !
 ! A80   A(10,1,18)            129.1579         -DE/DX =    0.0                 !
 ! A81   A(10,1,19)            119.7818         -DE/DX =    0.0                 !
 ! A82   A(10,1,22)             91.5596         -DE/DX =    0.0                 !
 ! A83   A(10,1,24)             81.5444         -DE/DX =    0.0                 !
 ! A84   A(10,1,26)             68.1879         -DE/DX =    0.0                 !
 ! A85   A(10,1,28)             79.4379         -DE/DX =    0.0                 !
 ! A86   A(10,1,30)             70.498          -DE/DX =    0.0                 !
 ! A87   A(10,1,32)             77.462          -DE/DX =    0.0                 !
 ! A88   A(10,1,34)            103.8486         -DE/DX =    0.0                 !
 ! A89   A(10,1,38)            132.4295         -DE/DX =    0.0                 !
 ! A90   A(10,1,40)            134.8407         -DE/DX =    0.0                 !
 ! A91   A(10,1,42)            112.0242         -DE/DX =    0.0                 !
 ! A92   A(10,1,45)            107.2449         -DE/DX =    0.0                 !
 ! A93   A(10,1,46)            150.5539         -DE/DX =    0.0                 !
 ! A94   A(10,1,48)            146.7655         -DE/DX =    0.0                 !
 ! A95   A(11,1,14)            113.0113         -DE/DX =    0.0                 !
 ! A96   A(11,1,16)            117.1262         -DE/DX =    0.0                 !
 ! A97   A(11,1,18)            138.185          -DE/DX =    0.0                 !
 ! A98   A(11,1,19)            134.1939         -DE/DX =    0.0                 !
 ! A99   A(11,1,22)             97.7097         -DE/DX =    0.0                 !
 ! A100  A(11,1,24)             91.8495         -DE/DX =    0.0                 !
 ! A101  A(11,1,26)             50.6892         -DE/DX =    0.0                 !
 ! A102  A(11,1,28)             61.1034         -DE/DX =    0.0                 !
 ! A103  A(11,1,30)             54.3273         -DE/DX =    0.0                 !
 ! A104  A(11,1,32)             64.3304         -DE/DX =    0.0                 !
 ! A105  A(11,1,34)             85.4949         -DE/DX =    0.0                 !
 ! A106  A(11,1,38)            142.6957         -DE/DX =    0.0                 !
 ! A107  A(11,1,40)            135.0508         -DE/DX =    0.0                 !
 ! A108  A(11,1,42)            110.2053         -DE/DX =    0.0                 !
 ! A109  A(11,1,45)            100.0078         -DE/DX =    0.0                 !
 ! A110  A(11,1,46)            141.0286         -DE/DX =    0.0                 !
 ! A111  A(11,1,48)            131.5685         -DE/DX =    0.0                 !
 ! A112  A(14,1,18)             40.9817         -DE/DX =    0.0                 !
 ! A113  A(14,1,19)             57.7086         -DE/DX =    0.0                 !
 ! A114  A(14,1,22)             39.9522         -DE/DX =    0.0                 !
 ! A115  A(14,1,24)             56.503          -DE/DX =    0.0                 !
 ! A116  A(14,1,26)            104.2172         -DE/DX =    0.0                 !
 ! A117  A(14,1,28)             82.3914         -DE/DX =    0.0                 !
 ! A118  A(14,1,30)             69.4739         -DE/DX =    0.0                 !
 ! A119  A(14,1,32)             53.665          -DE/DX =    0.0                 !
 ! A120  A(14,1,34)             71.7075         -DE/DX =    0.0                 !
 ! A121  A(14,1,38)            104.1642         -DE/DX =    0.0                 !
 ! A122  A(14,1,40)            107.1727         -DE/DX =    0.0                 !
 ! A123  A(14,1,42)            128.373          -DE/DX =    0.0                 !
 ! A124  A(14,1,45)            125.0784         -DE/DX =    0.0                 !
 ! A125  A(14,1,46)             88.2042         -DE/DX =    0.0                 !
 ! A126  A(14,1,48)             81.2542         -DE/DX =    0.0                 !
 ! A127  A(16,1,19)             37.6545         -DE/DX =    0.0                 !
 ! A128  A(16,1,24)             37.931          -DE/DX =    0.0                 !
 ! A129  A(16,1,26)            125.0002         -DE/DX =    0.0                 !
 ! A130  A(16,1,28)            103.6003         -DE/DX =    0.0                 !
 ! A131  A(16,1,30)             87.0024         -DE/DX =    0.0                 !
 ! A132  A(16,1,32)             70.1084         -DE/DX =    0.0                 !
 ! A133  A(16,1,34)             94.3015         -DE/DX =    0.0                 !
 ! A134  A(16,1,38)             96.0887         -DE/DX =    0.0                 !
 ! A135  A(16,1,40)            107.7386         -DE/DX =    0.0                 !
 ! A136  A(16,1,42)            132.4796         -DE/DX =    0.0                 !
 ! A137  A(16,1,45)            137.9875         -DE/DX =    0.0                 !
 ! A138  A(16,1,46)             95.2016         -DE/DX =    0.0                 !
 ! A139  A(16,1,48)             93.7564         -DE/DX =    0.0                 !
 ! A140  A(18,1,22)             40.5295         -DE/DX =    0.0                 !
 ! A141  A(18,1,24)             47.7087         -DE/DX =    0.0                 !
 ! A142  A(18,1,26)            144.0047         -DE/DX =    0.0                 !
 ! A143  A(18,1,28)            122.3509         -DE/DX =    0.0                 !
 ! A144  A(18,1,30)            110.0491         -DE/DX =    0.0                 !
 ! A145  A(18,1,32)             93.5449         -DE/DX =    0.0                 !
 ! A146  A(18,1,34)            105.8816         -DE/DX =    0.0                 !
 ! A147  A(18,1,38)             71.8102         -DE/DX =    0.0                 !
 ! A148  A(18,1,40)             86.1209         -DE/DX =    0.0                 !
 ! A149  A(18,1,42)            110.772          -DE/DX =    0.0                 !
 ! A150  A(18,1,45)            121.7043         -DE/DX =    0.0                 !
 ! A151  A(18,1,46)             79.1705         -DE/DX =    0.0                 !
 ! A152  A(18,1,48)             83.5159         -DE/DX =    0.0                 !
 ! A153  A(19,1,22)             43.9551         -DE/DX =    0.0                 !
 ! A154  A(19,1,24)             43.7751         -DE/DX =    0.0                 !
 ! A155  A(19,1,26)            161.8494         -DE/DX =    0.0                 !
 ! A156  A(19,1,28)            139.9998         -DE/DX =    0.0                 !
 ! A157  A(19,1,30)            124.5023         -DE/DX =    0.0                 !
 ! A158  A(19,1,32)            107.5421         -DE/DX =    0.0                 !
 ! A159  A(19,1,34)            123.8097         -DE/DX =    0.0                 !
 ! A160  A(19,1,38)             65.289          -DE/DX =    0.0                 !
 ! A161  A(19,1,40)             84.5264         -DE/DX =    0.0                 !
 ! A162  A(19,1,42)            106.9648         -DE/DX =    0.0                 !
 ! A163  A(19,1,45)            122.3102         -DE/DX =    0.0                 !
 ! A164  A(19,1,46)             84.6893         -DE/DX =    0.0                 !
 ! A165  A(19,1,48)             93.27           -DE/DX =    0.0                 !
 ! A166  A(22,1,26)            124.0712         -DE/DX =    0.0                 !
 ! A167  A(22,1,28)            106.7938         -DE/DX =    0.0                 !
 ! A168  A(22,1,30)             84.7046         -DE/DX =    0.0                 !
 ! A169  A(22,1,32)             68.6436         -DE/DX =    0.0                 !
 ! A170  A(22,1,34)            106.8372         -DE/DX =    0.0                 !
 ! A171  A(22,1,38)            109.1892         -DE/DX =    0.0                 !
 ! A172  A(22,1,40)            126.47           -DE/DX =    0.0                 !
 ! A173  A(22,1,42)            150.5587         -DE/DX =    0.0                 !
 ! A174  A(22,1,46)            117.8729         -DE/DX =    0.0                 !
 ! A175  A(22,1,48)            117.1957         -DE/DX =    0.0                 !
 ! A176  A(24,1,26)            130.2144         -DE/DX =    0.0                 !
 ! A177  A(24,1,28)            117.4645         -DE/DX =    0.0                 !
 ! A178  A(24,1,30)             93.8518         -DE/DX =    0.0                 !
 ! A179  A(24,1,32)             79.5076         -DE/DX =    0.0                 !
 ! A180  A(24,1,34)            122.0971         -DE/DX =    0.0                 !
 ! A181  A(24,1,38)            106.5409         -DE/DX =    0.0                 !
 ! A182  A(24,1,40)            127.839          -DE/DX =    0.0                 !
 ! A183  A(24,1,42)            146.9162         -DE/DX =    0.0                 !
 ! A184  A(24,1,46)            126.7054         -DE/DX =    0.0                 !
 ! A185  A(24,1,48)            130.1896         -DE/DX =    0.0                 !
 ! A186  A(26,1,30)             39.7384         -DE/DX =    0.0                 !
 ! A187  A(26,1,32)             56.4755         -DE/DX =    0.0                 !
 ! A188  A(26,1,34)             40.0508         -DE/DX =    0.0                 !
 ! A189  A(26,1,38)            123.1388         -DE/DX =    0.0                 !
 ! A190  A(26,1,40)            100.9313         -DE/DX =    0.0                 !
 ! A191  A(26,1,42)             82.478          -DE/DX =    0.0                 !
 ! A192  A(26,1,45)             64.8053         -DE/DX =    0.0                 !
 ! A193  A(26,1,46)             93.6642         -DE/DX =    0.0                 !
 ! A194  A(26,1,48)             81.3048         -DE/DX =    0.0                 !
 ! A195  A(28,1,32)             38.3085         -DE/DX =    0.0                 !
 ! A196  A(28,1,38)            129.6479         -DE/DX =    0.0                 !
 ! A197  A(28,1,40)            106.7966         -DE/DX =    0.0                 !
 ! A198  A(28,1,42)             95.0911         -DE/DX =    0.0                 !
 ! A199  A(28,1,45)             76.7085         -DE/DX =    0.0                 !
 ! A200  A(28,1,46)             91.9252         -DE/DX =    0.0                 !
 ! A201  A(28,1,48)             76.5843         -DE/DX =    0.0                 !
 ! A202  A(30,1,34)             40.8377         -DE/DX =    0.0                 !
 ! A203  A(30,1,38)            150.5602         -DE/DX =    0.0                 !
 ! A204  A(30,1,40)            129.0736         -DE/DX =    0.0                 !
 ! A205  A(30,1,42)            118.9334         -DE/DX =    0.0                 !
 ! A206  A(30,1,45)            100.537          -DE/DX =    0.0                 !
 ! A207  A(30,1,46)            110.7346         -DE/DX =    0.0                 !
 ! A208  A(30,1,48)             94.5863         -DE/DX =    0.0                 !
 ! A209  A(32,1,34)             47.6626         -DE/DX =    0.0                 !
 ! A210  A(32,1,38)            149.6915         -DE/DX =    0.0                 !
 ! A211  A(32,1,40)            134.5026         -DE/DX =    0.0                 !
 ! A212  A(32,1,42)            131.8498         -DE/DX =    0.0                 !
 ! A213  A(32,1,45)            113.9172         -DE/DX =    0.0                 !
 ! A214  A(32,1,46)            112.5797         -DE/DX =    0.0                 !
 ! A215  A(32,1,48)             96.9094         -DE/DX =    0.0                 !
 ! A216  A(34,1,38)            109.7496         -DE/DX =    0.0                 !
 ! A217  A(34,1,40)             88.715          -DE/DX =    0.0                 !
 ! A218  A(34,1,42)             85.1079         -DE/DX =    0.0                 !
 ! A219  A(34,1,45)             68.4902         -DE/DX =    0.0                 !
 ! A220  A(34,1,46)             70.0796         -DE/DX =    0.0                 !
 ! A221  A(34,1,48)             54.0523         -DE/DX =    0.0                 !
 ! A222  A(38,1,42)             41.7445         -DE/DX =    0.0                 !
 ! A223  A(38,1,45)             58.4962         -DE/DX =    0.0                 !
 ! A224  A(38,1,46)             39.8696         -DE/DX =    0.0                 !
 ! A225  A(38,1,48)             56.0389         -DE/DX =    0.0                 !
 ! A226  A(40,1,45)             37.7859         -DE/DX =    0.0                 !
 ! A227  A(40,1,48)             37.7675         -DE/DX =    0.0                 !
 ! A228  A(42,1,46)             40.1994         -DE/DX =    0.0                 !
 ! A229  A(42,1,48)             48.6465         -DE/DX =    0.0                 !
 ! A230  A(45,1,46)             43.3465         -DE/DX =    0.0                 !
 ! A231  A(45,1,48)             44.7675         -DE/DX =    0.0                 !
 ! A232  A(1,2,3)               91.7684         -DE/DX =    0.0                 !
 ! A233  A(1,2,5)              105.9231         -DE/DX =    0.0                 !
 ! A234  A(3,2,4)              125.5458         -DE/DX =    0.0                 !
 ! A235  A(3,2,5)              121.9912         -DE/DX =    0.0                 !
 ! A236  A(4,2,5)              112.4401         -DE/DX =    0.0                 !
 ! A237  A(2,4,6)              121.5608         -DE/DX =    0.0                 !
 ! A238  A(2,4,10)             121.8493         -DE/DX =    0.0                 !
 ! A239  A(6,4,10)             116.4903         -DE/DX =    0.0                 !
 ! A240  A(1,6,7)              105.3332         -DE/DX =    0.0                 !
 ! A241  A(1,6,9)              145.1697         -DE/DX =    0.0                 !
 ! A242  A(4,6,7)              109.6126         -DE/DX =    0.0                 !
 ! A243  A(4,6,8)              109.9252         -DE/DX =    0.0                 !
 ! A244  A(4,6,9)              109.8472         -DE/DX =    0.0                 !
 ! A245  A(7,6,8)              109.3652         -DE/DX =    0.0                 !
 ! A246  A(7,6,9)              109.3392         -DE/DX =    0.0                 !
 ! A247  A(8,6,9)              108.7326         -DE/DX =    0.0                 !
 ! A248  A(1,10,12)             75.8025         -DE/DX =    0.0                 !
 ! A249  A(4,10,11)            109.3001         -DE/DX =    0.0                 !
 ! A250  A(4,10,12)            109.3885         -DE/DX =    0.0                 !
 ! A251  A(4,10,13)            110.3704         -DE/DX =    0.0                 !
 ! A252  A(11,10,12)           109.4471         -DE/DX =    0.0                 !
 ! A253  A(11,10,13)           108.6212         -DE/DX =    0.0                 !
 ! A254  A(12,10,13)           109.6951         -DE/DX =    0.0                 !
 ! A255  A(1,14,15)             98.7792         -DE/DX =    0.0                 !
 ! A256  A(1,14,17)            101.0523         -DE/DX =    0.0                 !
 ! A257  A(15,14,16)           125.5104         -DE/DX =    0.0                 !
 ! A258  A(15,14,17)           122.0404         -DE/DX =    0.0                 !
 ! A259  A(16,14,17)           112.4361         -DE/DX =    0.0                 !
 ! A260  A(14,16,18)           121.6745         -DE/DX =    0.0                 !
 ! A261  A(14,16,22)           121.6478         -DE/DX =    0.0                 !
 ! A262  A(18,16,22)           116.6514         -DE/DX =    0.0                 !
 ! A263  A(1,18,21)             77.0222         -DE/DX =    0.0                 !
 ! A264  A(16,18,19)           108.865          -DE/DX =    0.0                 !
 ! A265  A(16,18,20)           110.6352         -DE/DX =    0.0                 !
 ! A266  A(16,18,21)           109.3674         -DE/DX =    0.0                 !
 ! A267  A(19,18,20)           108.6854         -DE/DX =    0.0                 !
 ! A268  A(19,18,21)           109.7009         -DE/DX =    0.0                 !
 ! A269  A(20,18,21)           109.5695         -DE/DX =    0.0                 !
 ! A270  A(1,22,23)            153.5616         -DE/DX =    0.0                 !
 ! A271  A(1,22,25)             96.4516         -DE/DX =    0.0                 !
 ! A272  A(16,22,23)           110.333          -DE/DX =    0.0                 !
 ! A273  A(16,22,24)           109.5705         -DE/DX =    0.0                 !
 ! A274  A(16,22,25)           109.6877         -DE/DX =    0.0                 !
 ! A275  A(23,22,24)           108.4957         -DE/DX =    0.0                 !
 ! A276  A(23,22,25)           109.4706         -DE/DX =    0.0                 !
 ! A277  A(24,22,25)           109.2594         -DE/DX =    0.0                 !
 ! A278  A(1,26,27)            104.1869         -DE/DX =    0.0                 !
 ! A279  A(1,26,29)             99.9114         -DE/DX =    0.0                 !
 ! A280  A(27,26,28)           125.4641         -DE/DX =    0.0                 !
 ! A281  A(27,26,29)           122.0701         -DE/DX =    0.0                 !
 ! A282  A(28,26,29)           112.4608         -DE/DX =    0.0                 !
 ! A283  A(26,28,30)           121.6958         -DE/DX =    0.0                 !
 ! A284  A(26,28,34)           121.1754         -DE/DX =    0.0                 !
 ! A285  A(30,28,34)           116.9915         -DE/DX =    0.0                 !
 ! A286  A(1,30,31)            155.8131         -DE/DX =    0.0                 !
 ! A287  A(1,30,33)             93.8305         -DE/DX =    0.0                 !
 ! A288  A(28,30,31)           110.4104         -DE/DX =    0.0                 !
 ! A289  A(28,30,32)           109.7046         -DE/DX =    0.0                 !
 ! A290  A(28,30,33)           109.532          -DE/DX =    0.0                 !
 ! A291  A(31,30,32)           108.3153         -DE/DX =    0.0                 !
 ! A292  A(31,30,33)           109.6071         -DE/DX =    0.0                 !
 ! A293  A(32,30,33)           109.2476         -DE/DX =    0.0                 !
 ! A294  A(1,34,36)             77.6236         -DE/DX =    0.0                 !
 ! A295  A(1,34,37)             66.0007         -DE/DX =    0.0                 !
 ! A296  A(28,34,35)           110.8025         -DE/DX =    0.0                 !
 ! A297  A(28,34,36)           109.3023         -DE/DX =    0.0                 !
 ! A298  A(28,34,37)           108.9417         -DE/DX =    0.0                 !
 ! A299  A(35,34,36)           109.3671         -DE/DX =    0.0                 !
 ! A300  A(35,34,37)           108.7719         -DE/DX =    0.0                 !
 ! A301  A(36,34,37)           109.6386         -DE/DX =    0.0                 !
 ! A302  A(1,38,39)             92.3862         -DE/DX =    0.0                 !
 ! A303  A(1,38,41)            104.9195         -DE/DX =    0.0                 !
 ! A304  A(39,38,40)           125.3943         -DE/DX =    0.0                 !
 ! A305  A(39,38,41)           122.0366         -DE/DX =    0.0                 !
 ! A306  A(40,38,41)           112.5487         -DE/DX =    0.0                 !
 ! A307  A(38,40,42)           121.7813         -DE/DX =    0.0                 !
 ! A308  A(38,40,46)           121.6714         -DE/DX =    0.0                 !
 ! A309  A(42,40,46)           116.2983         -DE/DX =    0.0                 !
 ! A310  A(1,42,43)             74.6429         -DE/DX =    0.0                 !
 ! A311  A(1,42,44)            174.2702         -DE/DX =    0.0                 !
 ! A312  A(40,42,43)           109.5432         -DE/DX =    0.0                 !
 ! A313  A(40,42,44)           110.4486         -DE/DX =    0.0                 !
 ! A314  A(40,42,45)           109.0187         -DE/DX =    0.0                 !
 ! A315  A(43,42,44)           109.5822         -DE/DX =    0.0                 !
 ! A316  A(43,42,45)           109.5637         -DE/DX =    0.0                 !
 ! A317  A(44,42,45)           108.665          -DE/DX =    0.0                 !
 ! A318  A(1,46,47)            102.9896         -DE/DX =    0.0                 !
 ! A319  A(40,46,47)           109.7783         -DE/DX =    0.0                 !
 ! A320  A(40,46,48)           109.6899         -DE/DX =    0.0                 !
 ! A321  A(40,46,49)           109.9832         -DE/DX =    0.0                 !
 ! A322  A(47,46,48)           109.3052         -DE/DX =    0.0                 !
 ! A323  A(47,46,49)           109.4256         -DE/DX =    0.0                 !
 ! A324  A(48,46,49)           108.6374         -DE/DX =    0.0                 !
 ! A325  L(8,1,18,2,-1)        167.9727         -DE/DX =    0.0                 !
 ! A326  L(22,1,45,2,-1)       194.6346         -DE/DX =    0.0                 !
 ! A327  L(24,1,45,2,-1)       178.3082         -DE/DX =    0.0                 !
 ! A328  L(1,10,13,12,-1)      185.4976         -DE/DX =    0.0                 !
 ! A329  L(1,18,20,21,-1)      186.5917         -DE/DX =    0.0                 !
 ! A330  L(1,34,35,36,-1)      186.9906         -DE/DX =    0.0                 !
 ! A331  L(1,46,49,47,-1)      212.4152         -DE/DX =    0.0                 !
 ! A332  L(8,1,18,2,-2)        188.6282         -DE/DX =    0.0                 !
 ! A333  L(22,1,45,2,-2)       168.1271         -DE/DX =    0.0                 !
 ! A334  L(24,1,45,2,-2)       164.8585         -DE/DX =    0.0                 !
 ! A335  L(1,10,13,12,-2)      185.4579         -DE/DX =    0.0                 !
 ! A336  L(1,18,20,21,-2)      176.5171         -DE/DX =    0.0                 !
 ! A337  L(1,34,35,36,-2)      177.8226         -DE/DX =    0.0                 !
 ! A338  L(1,46,49,47,-2)      175.1822         -DE/DX =    0.0                 !
 ! D1    D(6,1,2,3)            158.1737         -DE/DX =    0.0                 !
 ! D2    D(6,1,2,5)            -77.7705         -DE/DX =    0.0                 !
 ! D3    D(8,1,2,3)            159.6596         -DE/DX =    0.0                 !
 ! D4    D(8,1,2,5)            -76.2847         -DE/DX =    0.0                 !
 ! D5    D(10,1,2,3)            95.0112         -DE/DX =    0.0                 !
 ! D6    D(10,1,2,5)          -140.9331         -DE/DX =    0.0                 !
 ! D7    D(11,1,2,3)           104.7324         -DE/DX =    0.0                 !
 ! D8    D(11,1,2,5)          -131.2119         -DE/DX =    0.0                 !
 ! D9    D(14,1,2,3)            13.1119         -DE/DX =    0.0                 !
 ! D10   D(14,1,2,5)           137.1676         -DE/DX =    0.0                 !
 ! D11   D(16,1,2,3)            -2.1767         -DE/DX =    0.0                 !
 ! D12   D(16,1,2,5)           121.8791         -DE/DX =    0.0                 !
 ! D13   D(18,1,2,3)           -28.9686         -DE/DX =    0.0                 !
 ! D14   D(18,1,2,5)            95.0872         -DE/DX =    0.0                 !
 ! D15   D(19,1,2,3)           -34.9203         -DE/DX =    0.0                 !
 ! D16   D(19,1,2,5)            89.1354         -DE/DX =    0.0                 !
 ! D17   D(22,1,2,3)             9.2635         -DE/DX =    0.0                 !
 ! D18   D(22,1,2,5)           133.3193         -DE/DX =    0.0                 !
 ! D19   D(24,1,2,3)             5.995          -DE/DX =    0.0                 !
 ! D20   D(24,1,2,5)           130.0507         -DE/DX =    0.0                 !
 ! D21   D(26,1,2,3)           135.3679         -DE/DX =    0.0                 !
 ! D22   D(26,1,2,5)          -100.5763         -DE/DX =    0.0                 !
 ! D23   D(28,1,2,3)           121.62           -DE/DX =    0.0                 !
 ! D24   D(28,1,2,5)          -114.3242         -DE/DX =    0.0                 !
 ! D25   D(30,1,2,3)            95.9129         -DE/DX =    0.0                 !
 ! D26   D(30,1,2,5)          -140.0314         -DE/DX =    0.0                 !
 ! D27   D(32,1,2,3)            78.1934         -DE/DX =    0.0                 !
 ! D28   D(32,1,2,5)          -157.7509         -DE/DX =    0.0                 !
 ! D29   D(34,1,2,3)           134.2353         -DE/DX =    0.0                 !
 ! D30   D(34,1,2,5)          -101.7089         -DE/DX =    0.0                 !
 ! D31   D(38,1,2,3)          -100.3407         -DE/DX =    0.0                 !
 ! D32   D(38,1,2,5)            23.7151         -DE/DX =    0.0                 !
 ! D33   D(40,1,2,3)          -120.6475         -DE/DX =    0.0                 !
 ! D34   D(40,1,2,5)             3.4083         -DE/DX =    0.0                 !
 ! D35   D(42,1,2,3)          -142.0798         -DE/DX =    0.0                 !
 ! D36   D(42,1,2,5)           -18.0241         -DE/DX =    0.0                 !
 ! D37   D(45,1,2,3)          -158.8635         -DE/DX =    0.0                 !
 ! D38   D(45,1,2,5)           -34.8078         -DE/DX =    0.0                 !
 ! D39   D(46,1,2,3)          -122.4352         -DE/DX =    0.0                 !
 ! D40   D(46,1,2,5)             1.6205         -DE/DX =    0.0                 !
 ! D41   D(48,1,2,3)          -136.5649         -DE/DX =    0.0                 !
 ! D42   D(48,1,2,5)           -12.5092         -DE/DX =    0.0                 !
 ! D43   D(2,1,6,7)             72.3922         -DE/DX =    0.0                 !
 ! D44   D(2,1,6,9)           -113.1761         -DE/DX =    0.0                 !
 ! D45   D(10,1,6,7)           140.2312         -DE/DX =    0.0                 !
 ! D46   D(10,1,6,9)           -45.3371         -DE/DX =    0.0                 !
 ! D47   D(11,1,6,7)           167.5145         -DE/DX =    0.0                 !
 ! D48   D(11,1,6,9)           -18.0538         -DE/DX =    0.0                 !
 ! D49   D(14,1,6,7)           163.8349         -DE/DX =    0.0                 !
 ! D50   D(14,1,6,9)           -21.7335         -DE/DX =    0.0                 !
 ! D51   D(16,1,6,7)           111.6838         -DE/DX =    0.0                 !
 ! D52   D(16,1,6,9)           -73.8845         -DE/DX =    0.0                 !
 ! D53   D(18,1,6,7)            58.4785         -DE/DX =    0.0                 !
 ! D54   D(18,1,6,9)          -127.0898         -DE/DX =    0.0                 !
 ! D55   D(19,1,6,7)            54.2643         -DE/DX =    0.0                 !
 ! D56   D(19,1,6,9)          -131.3041         -DE/DX =    0.0                 !
 ! D57   D(22,1,6,7)           113.2268         -DE/DX =    0.0                 !
 ! D58   D(22,1,6,9)           -72.3415         -DE/DX =    0.0                 !
 ! D59   D(24,1,6,7)           102.6108         -DE/DX =    0.0                 !
 ! D60   D(24,1,6,9)           -82.9575         -DE/DX =    0.0                 !
 ! D61   D(26,1,6,7)          -132.8341         -DE/DX =    0.0                 !
 ! D62   D(26,1,6,9)            41.5976         -DE/DX =    0.0                 !
 ! D63   D(28,1,6,7)          -139.6897         -DE/DX =    0.0                 !
 ! D64   D(28,1,6,9)            34.7419         -DE/DX =    0.0                 !
 ! D65   D(30,1,6,7)          -162.6907         -DE/DX =    0.0                 !
 ! D66   D(30,1,6,9)            11.741          -DE/DX =    0.0                 !
 ! D67   D(32,1,6,7)          -172.2753         -DE/DX =    0.0                 !
 ! D68   D(32,1,6,9)             2.1564         -DE/DX =    0.0                 !
 ! D69   D(34,1,6,7)          -123.1562         -DE/DX =    0.0                 !
 ! D70   D(34,1,6,9)            51.2755         -DE/DX =    0.0                 !
 ! D71   D(38,1,6,7)           -10.3581         -DE/DX =    0.0                 !
 ! D72   D(38,1,6,9)           164.0736         -DE/DX =    0.0                 !
 ! D73   D(40,1,6,7)           -33.277          -DE/DX =    0.0                 !
 ! D74   D(40,1,6,9)           141.1547         -DE/DX =    0.0                 !
 ! D75   D(42,1,6,7)           -42.5467         -DE/DX =    0.0                 !
 ! D76   D(42,1,6,9)           131.885          -DE/DX =    0.0                 !
 ! D77   D(45,1,6,7)           -61.8612         -DE/DX =    0.0                 !
 ! D78   D(45,1,6,9)           112.5705         -DE/DX =    0.0                 !
 ! D79   D(46,1,6,7)           -49.8127         -DE/DX =    0.0                 !
 ! D80   D(46,1,6,9)           124.6189         -DE/DX =    0.0                 !
 ! D81   D(48,1,6,7)           -67.1642         -DE/DX =    0.0                 !
 ! D82   D(48,1,6,9)           107.2675         -DE/DX =    0.0                 !
 ! D83   D(2,1,10,12)          -86.8754         -DE/DX =    0.0                 !
 ! D84   D(6,1,10,12)         -148.9067         -DE/DX =    0.0                 !
 ! D85   D(8,1,10,12)         -167.9811         -DE/DX =    0.0                 !
 ! D86   D(14,1,10,12)          41.551          -DE/DX =    0.0                 !
 ! D87   D(16,1,10,12)          16.697          -DE/DX =    0.0                 !
 ! D88   D(18,1,10,12)          -6.3951         -DE/DX =    0.0                 !
 ! D89   D(19,1,10,12)         -25.3088         -DE/DX =    0.0                 !
 ! D90   D(22,1,10,12)          10.1869         -DE/DX =    0.0                 !
 ! D91   D(24,1,10,12)          -3.1525         -DE/DX =    0.0                 !
 ! D92   D(26,1,10,12)         136.5393         -DE/DX =    0.0                 !
 ! D93   D(28,1,10,12)         116.9814         -DE/DX =    0.0                 !
 ! D94   D(30,1,10,12)          94.0107         -DE/DX =    0.0                 !
 ! D95   D(32,1,10,12)          77.8992         -DE/DX =    0.0                 !
 ! D96   D(34,1,10,12)         117.954          -DE/DX =    0.0                 !
 ! D97   D(38,1,10,12)        -107.871          -DE/DX =    0.0                 !
 ! D98   D(40,1,10,12)        -139.7723         -DE/DX =    0.0                 !
 ! D99   D(42,1,10,12)        -151.7609         -DE/DX =    0.0                 !
 ! D100  D(45,1,10,12)        -170.6418         -DE/DX =    0.0                 !
 ! D101  D(46,1,10,12)        -168.1349         -DE/DX =    0.0                 !
 ! D102  D(48,1,10,12)         161.3219         -DE/DX =    0.0                 !
 ! D103  D(2,1,14,15)         -162.6414         -DE/DX =    0.0                 !
 ! D104  D(2,1,14,17)           72.1106         -DE/DX =    0.0                 !
 ! D105  D(4,1,14,15)          163.4924         -DE/DX =    0.0                 !
 ! D106  D(4,1,14,17)           38.2444         -DE/DX =    0.0                 !
 ! D107  D(6,1,14,15)          132.3356         -DE/DX =    0.0                 !
 ! D108  D(6,1,14,17)            7.0876         -DE/DX =    0.0                 !
 ! D109  D(8,1,14,15)           95.9199         -DE/DX =    0.0                 !
 ! D110  D(8,1,14,17)          -29.3281         -DE/DX =    0.0                 !
 ! D111  D(10,1,14,15)         149.209          -DE/DX =    0.0                 !
 ! D112  D(10,1,14,17)          23.961          -DE/DX =    0.0                 !
 ! D113  D(11,1,14,15)         129.5884         -DE/DX =    0.0                 !
 ! D114  D(11,1,14,17)           4.3404         -DE/DX =    0.0                 !
 ! D115  D(18,1,14,15)         -92.1831         -DE/DX =    0.0                 !
 ! D116  D(18,1,14,17)         142.5689         -DE/DX =    0.0                 !
 ! D117  D(19,1,14,15)        -101.5447         -DE/DX =    0.0                 !
 ! D118  D(19,1,14,17)         133.2073         -DE/DX =    0.0                 !
 ! D119  D(22,1,14,15)        -156.6735         -DE/DX =    0.0                 !
 ! D120  D(22,1,14,17)          78.0785         -DE/DX =    0.0                 !
 ! D121  D(24,1,14,15)        -154.2408         -DE/DX =    0.0                 !
 ! D122  D(24,1,14,17)          80.5112         -DE/DX =    0.0                 !
 ! D123  D(26,1,14,15)          76.6333         -DE/DX =    0.0                 !
 ! D124  D(26,1,14,17)         -48.6147         -DE/DX =    0.0                 !
 ! D125  D(28,1,14,15)          75.4906         -DE/DX =    0.0                 !
 ! D126  D(28,1,14,17)         -49.7574         -DE/DX =    0.0                 !
 ! D127  D(30,1,14,15)          96.2596         -DE/DX =    0.0                 !
 ! D128  D(30,1,14,17)         -28.9884         -DE/DX =    0.0                 !
 ! D129  D(32,1,14,15)         103.3032         -DE/DX =    0.0                 !
 ! D130  D(32,1,14,17)         -21.9448         -DE/DX =    0.0                 !
 ! D131  D(34,1,14,15)          52.9019         -DE/DX =    0.0                 !
 ! D132  D(34,1,14,17)         -72.3461         -DE/DX =    0.0                 !
 ! D133  D(38,1,14,15)         -53.5749         -DE/DX =    0.0                 !
 ! D134  D(38,1,14,17)        -178.8229         -DE/DX =    0.0                 !
 ! D135  D(40,1,14,15)         -29.8089         -DE/DX =    0.0                 !
 ! D136  D(40,1,14,17)        -155.0569         -DE/DX =    0.0                 !
 ! D137  D(42,1,14,15)         -14.992          -DE/DX =    0.0                 !
 ! D138  D(42,1,14,17)        -140.24           -DE/DX =    0.0                 !
 ! D139  D(45,1,14,15)           7.6531         -DE/DX =    0.0                 !
 ! D140  D(45,1,14,17)        -117.5949         -DE/DX =    0.0                 !
 ! D141  D(46,1,14,15)         -16.6928         -DE/DX =    0.0                 !
 ! D142  D(46,1,14,17)        -141.9408         -DE/DX =    0.0                 !
 ! D143  D(48,1,14,15)          -2.0188         -DE/DX =    0.0                 !
 ! D144  D(48,1,14,17)        -127.2668         -DE/DX =    0.0                 !
 ! D145  D(2,1,18,21)         -138.5665         -DE/DX =    0.0                 !
 ! D146  D(4,1,18,21)         -151.0665         -DE/DX =    0.0                 !
 ! D147  D(6,1,18,21)         -129.0562         -DE/DX =    0.0                 !
 ! D148  D(10,1,18,21)         176.15           -DE/DX =    0.0                 !
 ! D149  D(11,1,18,21)         153.8795         -DE/DX =    0.0                 !
 ! D150  D(14,1,18,21)          87.0052         -DE/DX =    0.0                 !
 ! D151  D(22,1,18,21)         150.1096         -DE/DX =    0.0                 !
 ! D152  D(24,1,18,21)         171.8124         -DE/DX =    0.0                 !
 ! D153  D(26,1,18,21)          68.3479         -DE/DX =    0.0                 !
 ! D154  D(28,1,18,21)          72.4994         -DE/DX =    0.0                 !
 ! D155  D(30,1,18,21)          95.4217         -DE/DX =    0.0                 !
 ! D156  D(32,1,18,21)          99.4503         -DE/DX =    0.0                 !
 ! D157  D(34,1,18,21)          52.6025         -DE/DX =    0.0                 !
 ! D158  D(38,1,18,21)         -53.4378         -DE/DX =    0.0                 !
 ! D159  D(40,1,18,21)         -34.9524         -DE/DX =    0.0                 !
 ! D160  D(42,1,18,21)         -38.1473         -DE/DX =    0.0                 !
 ! D161  D(45,1,18,21)         -21.5945         -DE/DX =    0.0                 !
 ! D162  D(46,1,18,21)         -12.8729         -DE/DX =    0.0                 !
 ! D163  D(48,1,18,21)           2.889          -DE/DX =    0.0                 !
 ! D164  D(2,1,22,23)          -71.1221         -DE/DX =    0.0                 !
 ! D165  D(2,1,22,25)           97.6416         -DE/DX =    0.0                 !
 ! D166  D(4,1,22,23)          -92.1102         -DE/DX =    0.0                 !
 ! D167  D(4,1,22,25)           76.6536         -DE/DX =    0.0                 !
 ! D168  D(6,1,22,23)          -95.7371         -DE/DX =    0.0                 !
 ! D169  D(6,1,22,25)           73.0267         -DE/DX =    0.0                 !
 ! D170  D(8,1,22,23)         -110.4909         -DE/DX =    0.0                 !
 ! D171  D(8,1,22,25)           58.2729         -DE/DX =    0.0                 !
 ! D172  D(10,1,22,23)        -112.6426         -DE/DX =    0.0                 !
 ! D173  D(10,1,22,25)          56.1212         -DE/DX =    0.0                 !
 ! D174  D(11,1,22,23)        -130.0166         -DE/DX =    0.0                 !
 ! D175  D(11,1,22,25)          38.7472         -DE/DX =    0.0                 !
 ! D176  D(14,1,22,23)         113.0664         -DE/DX =    0.0                 !
 ! D177  D(14,1,22,25)         -78.1698         -DE/DX =    0.0                 !
 ! D178  D(18,1,22,23)          47.448          -DE/DX =    0.0                 !
 ! D179  D(18,1,22,25)        -143.7882         -DE/DX =    0.0                 !
 ! D180  D(19,1,22,23)          20.8004         -DE/DX =    0.0                 !
 ! D181  D(19,1,22,25)        -170.4358         -DE/DX =    0.0                 !
 ! D182  D(26,1,22,23)        -177.1549         -DE/DX =    0.0                 !
 ! D183  D(26,1,22,25)          -8.3912         -DE/DX =    0.0                 !
 ! D184  D(28,1,22,23)         167.9207         -DE/DX =    0.0                 !
 ! D185  D(28,1,22,25)         -23.3155         -DE/DX =    0.0                 !
 ! D186  D(30,1,22,23)         177.1075         -DE/DX =    0.0                 !
 ! D187  D(30,1,22,25)         -14.1287         -DE/DX =    0.0                 !
 ! D188  D(32,1,22,23)         171.4699         -DE/DX =    0.0                 !
 ! D189  D(32,1,22,25)         -19.7663         -DE/DX =    0.0                 !
 ! D190  D(34,1,22,23)         142.3817         -DE/DX =    0.0                 !
 ! D191  D(34,1,22,25)         -48.8545         -DE/DX =    0.0                 !
 ! D192  D(38,1,22,23)          23.7527         -DE/DX =    0.0                 !
 ! D193  D(38,1,22,25)        -167.4835         -DE/DX =    0.0                 !
 ! D194  D(40,1,22,23)          41.1632         -DE/DX =    0.0                 !
 ! D195  D(40,1,22,25)        -150.073          -DE/DX =    0.0                 !
 ! D196  D(42,1,22,23)          31.5943         -DE/DX =    0.0                 !
 ! D197  D(42,1,22,25)        -159.6419         -DE/DX =    0.0                 !
 ! D198  D(46,1,22,23)          66.4243         -DE/DX =    0.0                 !
 ! D199  D(46,1,22,25)        -124.812          -DE/DX =    0.0                 !
 ! D200  D(48,1,22,23)          84.6627         -DE/DX =    0.0                 !
 ! D201  D(48,1,22,25)        -106.5736         -DE/DX =    0.0                 !
 ! D202  D(2,1,26,27)           91.6586         -DE/DX =    0.0                 !
 ! D203  D(2,1,26,29)          -35.2206         -DE/DX =    0.0                 !
 ! D204  D(4,1,26,27)           94.9365         -DE/DX =    0.0                 !
 ! D205  D(4,1,26,29)          -31.9426         -DE/DX =    0.0                 !
 ! D206  D(6,1,26,27)           75.7514         -DE/DX =    0.0                 !
 ! D207  D(6,1,26,29)          -51.1277         -DE/DX =    0.0                 !
 ! D208  D(8,1,26,27)           65.5543         -DE/DX =    0.0                 !
 ! D209  D(8,1,26,29)          -61.3248         -DE/DX =    0.0                 !
 ! D210  D(10,1,26,27)         119.2688         -DE/DX =    0.0                 !
 ! D211  D(10,1,26,29)          -7.6103         -DE/DX =    0.0                 !
 ! D212  D(11,1,26,27)         125.8088         -DE/DX =    0.0                 !
 ! D213  D(11,1,26,29)          -1.0703         -DE/DX =    0.0                 !
 ! D214  D(14,1,26,27)        -125.9058         -DE/DX =    0.0                 !
 ! D215  D(14,1,26,29)         107.215          -DE/DX =    0.0                 !
 ! D216  D(16,1,26,27)        -135.7923         -DE/DX =    0.0                 !
 ! D217  D(16,1,26,29)          97.3286         -DE/DX =    0.0                 !
 ! D218  D(18,1,26,27)        -113.4065         -DE/DX =    0.0                 !
 ! D219  D(18,1,26,29)         119.7144         -DE/DX =    0.0                 !
 ! D220  D(19,1,26,27)        -120.9561         -DE/DX =    0.0                 !
 ! D221  D(19,1,26,29)         112.1648         -DE/DX =    0.0                 !
 ! D222  D(22,1,26,27)        -164.3395         -DE/DX =    0.0                 !
 ! D223  D(22,1,26,29)          68.7814         -DE/DX =    0.0                 !
 ! D224  D(24,1,26,27)         176.1903         -DE/DX =    0.0                 !
 ! D225  D(24,1,26,29)          49.3112         -DE/DX =    0.0                 !
 ! D226  D(30,1,26,27)        -155.3813         -DE/DX =    0.0                 !
 ! D227  D(30,1,26,29)          77.7395         -DE/DX =    0.0                 !
 ! D228  D(32,1,26,27)        -151.6103         -DE/DX =    0.0                 !
 ! D229  D(32,1,26,29)          81.5106         -DE/DX =    0.0                 !
 ! D230  D(34,1,26,27)         -89.4763         -DE/DX =    0.0                 !
 ! D231  D(34,1,26,29)         143.6446         -DE/DX =    0.0                 !
 ! D232  D(38,1,26,27)          -8.0742         -DE/DX =    0.0                 !
 ! D233  D(38,1,26,29)        -134.9533         -DE/DX =    0.0                 !
 ! D234  D(40,1,26,27)         -14.8583         -DE/DX =    0.0                 !
 ! D235  D(40,1,26,29)        -141.7374         -DE/DX =    0.0                 !
 ! D236  D(42,1,26,27)           1.8644         -DE/DX =    0.0                 !
 ! D237  D(42,1,26,29)        -125.0147         -DE/DX =    0.0                 !
 ! D238  D(45,1,26,27)          -3.4946         -DE/DX =    0.0                 !
 ! D239  D(45,1,26,29)        -130.3737         -DE/DX =    0.0                 !
 ! D240  D(46,1,26,27)         -36.8323         -DE/DX =    0.0                 !
 ! D241  D(46,1,26,29)        -163.7114         -DE/DX =    0.0                 !
 ! D242  D(48,1,26,27)         -47.2923         -DE/DX =    0.0                 !
 ! D243  D(48,1,26,29)        -174.1715         -DE/DX =    0.0                 !
 ! D244  D(2,1,30,31)         -167.7023         -DE/DX =    0.0                 !
 ! D245  D(2,1,30,33)           -1.7868         -DE/DX =    0.0                 !
 ! D246  D(4,1,30,31)         -179.3631         -DE/DX =    0.0                 !
 ! D247  D(4,1,30,33)          -13.4476         -DE/DX =    0.0                 !
 ! D248  D(6,1,30,31)          158.1767         -DE/DX =    0.0                 !
 ! D249  D(6,1,30,33)          -35.9078         -DE/DX =    0.0                 !
 ! D250  D(8,1,30,31)          144.3807         -DE/DX =    0.0                 !
 ! D251  D(8,1,30,33)          -49.7037         -DE/DX =    0.0                 !
 ! D252  D(10,1,30,31)        -167.0667         -DE/DX =    0.0                 !
 ! D253  D(10,1,30,33)          -1.1512         -DE/DX =    0.0                 !
 ! D254  D(11,1,30,31)        -176.9597         -DE/DX =    0.0                 !
 ! D255  D(11,1,30,33)         -11.0442         -DE/DX =    0.0                 !
 ! D256  D(14,1,30,31)         -35.4611         -DE/DX =    0.0                 !
 ! D257  D(14,1,30,33)         130.4544         -DE/DX =    0.0                 !
 ! D258  D(16,1,30,31)         -50.1165         -DE/DX =    0.0                 !
 ! D259  D(16,1,30,33)         115.799          -DE/DX =    0.0                 !
 ! D260  D(18,1,30,31)         -41.3442         -DE/DX =    0.0                 !
 ! D261  D(18,1,30,33)         124.5713         -DE/DX =    0.0                 !
 ! D262  D(19,1,30,31)         -53.7403         -DE/DX =    0.0                 !
 ! D263  D(19,1,30,33)         112.1753         -DE/DX =    0.0                 !
 ! D264  D(22,1,30,31)         -73.5222         -DE/DX =    0.0                 !
 ! D265  D(22,1,30,33)          92.3933         -DE/DX =    0.0                 !
 ! D266  D(24,1,30,31)         -87.4475         -DE/DX =    0.0                 !
 ! D267  D(24,1,30,33)          78.468          -DE/DX =    0.0                 !
 ! D268  D(26,1,30,31)         113.9206         -DE/DX =    0.0                 !
 ! D269  D(26,1,30,33)         -80.1639         -DE/DX =    0.0                 !
 ! D270  D(34,1,30,31)          49.9879         -DE/DX =    0.0                 !
 ! D271  D(34,1,30,33)        -144.0966         -DE/DX =    0.0                 !
 ! D272  D(38,1,30,31)          46.9668         -DE/DX =    0.0                 !
 ! D273  D(38,1,30,33)        -147.1177         -DE/DX =    0.0                 !
 ! D274  D(40,1,30,31)          60.3997         -DE/DX =    0.0                 !
 ! D275  D(40,1,30,33)        -133.6848         -DE/DX =    0.0                 !
 ! D276  D(42,1,30,31)          87.9354         -DE/DX =    0.0                 !
 ! D277  D(42,1,30,33)        -106.1491         -DE/DX =    0.0                 !
 ! D278  D(45,1,30,31)          88.2179         -DE/DX =    0.0                 !
 ! D279  D(45,1,30,33)        -105.8666         -DE/DX =    0.0                 !
 ! D280  D(46,1,30,31)          44.3139         -DE/DX =    0.0                 !
 ! D281  D(46,1,30,33)        -149.7706         -DE/DX =    0.0                 !
 ! D282  D(48,1,30,31)          43.416          -DE/DX =    0.0                 !
 ! D283  D(48,1,30,33)        -150.6685         -DE/DX =    0.0                 !
 ! D284  D(2,1,34,36)           89.1781         -DE/DX =    0.0                 !
 ! D285  D(2,1,34,37)         -152.5056         -DE/DX =    0.0                 !
 ! D286  D(4,1,34,36)           92.2746         -DE/DX =    0.0                 !
 ! D287  D(4,1,34,37)         -149.4092         -DE/DX =    0.0                 !
 ! D288  D(6,1,34,36)           73.9034         -DE/DX =    0.0                 !
 ! D289  D(6,1,34,37)         -167.7804         -DE/DX =    0.0                 !
 ! D290  D(8,1,34,36)           68.51           -DE/DX =    0.0                 !
 ! D291  D(8,1,34,37)         -173.1737         -DE/DX =    0.0                 !
 ! D292  D(10,1,34,36)         114.8211         -DE/DX =    0.0                 !
 ! D293  D(10,1,34,37)        -126.8627         -DE/DX =    0.0                 !
 ! D294  D(11,1,34,36)         114.0796         -DE/DX =    0.0                 !
 ! D295  D(11,1,34,37)        -127.6041         -DE/DX =    0.0                 !
 ! D296  D(14,1,34,36)        -129.8777         -DE/DX =    0.0                 !
 ! D297  D(14,1,34,37)         -11.5614         -DE/DX =    0.0                 !
 ! D298  D(16,1,34,36)        -129.0014         -DE/DX =    0.0                 !
 ! D299  D(16,1,34,37)         -10.6851         -DE/DX =    0.0                 !
 ! D300  D(18,1,34,36)        -106.9069         -DE/DX =    0.0                 !
 ! D301  D(18,1,34,37)          11.4093         -DE/DX =    0.0                 !
 ! D302  D(19,1,34,36)        -103.8468         -DE/DX =    0.0                 !
 ! D303  D(19,1,34,37)          14.4694         -DE/DX =    0.0                 !
 ! D304  D(22,1,34,36)        -149.2156         -DE/DX =    0.0                 !
 ! D305  D(22,1,34,37)         -30.8994         -DE/DX =    0.0                 !
 ! D306  D(24,1,34,36)        -156.5624         -DE/DX =    0.0                 !
 ! D307  D(24,1,34,37)         -38.2462         -DE/DX =    0.0                 !
 ! D308  D(26,1,34,36)          87.4436         -DE/DX =    0.0                 !
 ! D309  D(26,1,34,37)        -154.2402         -DE/DX =    0.0                 !
 ! D310  D(30,1,34,36)         150.6248         -DE/DX =    0.0                 !
 ! D311  D(30,1,34,37)         -91.0589         -DE/DX =    0.0                 !
 ! D312  D(32,1,34,36)         173.0122         -DE/DX =    0.0                 !
 ! D313  D(32,1,34,37)         -68.6716         -DE/DX =    0.0                 !
 ! D314  D(38,1,34,36)         -30.9523         -DE/DX =    0.0                 !
 ! D315  D(38,1,34,37)          87.3639         -DE/DX =    0.0                 !
 ! D316  D(40,1,34,36)         -21.3079         -DE/DX =    0.0                 !
 ! D317  D(40,1,34,37)          97.0084         -DE/DX =    0.0                 !
 ! D318  D(42,1,34,36)           3.3189         -DE/DX =    0.0                 !
 ! D319  D(42,1,34,37)         121.6351         -DE/DX =    0.0                 !
 ! D320  D(45,1,34,36)          11.4632         -DE/DX =    0.0                 !
 ! D321  D(45,1,34,37)         129.7795         -DE/DX =    0.0                 !
 ! D322  D(46,1,34,36)         -35.0193         -DE/DX =    0.0                 !
 ! D323  D(46,1,34,37)          83.297          -DE/DX =    0.0                 !
 ! D324  D(48,1,34,36)         -37.4764         -DE/DX =    0.0                 !
 ! D325  D(48,1,34,37)          80.8399         -DE/DX =    0.0                 !
 ! D326  D(2,1,38,39)            5.9158         -DE/DX =    0.0                 !
 ! D327  D(2,1,38,41)          130.0094         -DE/DX =    0.0                 !
 ! D328  D(4,1,38,39)           23.4672         -DE/DX =    0.0                 !
 ! D329  D(4,1,38,41)          147.5608         -DE/DX =    0.0                 !
 ! D330  D(6,1,38,39)           44.9131         -DE/DX =    0.0                 !
 ! D331  D(6,1,38,41)          169.0067         -DE/DX =    0.0                 !
 ! D332  D(8,1,38,39)           61.071          -DE/DX =    0.0                 !
 ! D333  D(8,1,38,41)         -174.8354         -DE/DX =    0.0                 !
 ! D334  D(10,1,38,39)          19.704          -DE/DX =    0.0                 !
 ! D335  D(10,1,38,41)         143.7976         -DE/DX =    0.0                 !
 ! D336  D(11,1,38,39)          42.5            -DE/DX =    0.0                 !
 ! D337  D(11,1,38,41)         166.5936         -DE/DX =    0.0                 !
 ! D338  D(14,1,38,39)        -132.6926         -DE/DX =    0.0                 !
 ! D339  D(14,1,38,41)          -8.599          -DE/DX =    0.0                 !
 ! D340  D(16,1,38,39)        -111.2157         -DE/DX =    0.0                 !
 ! D341  D(16,1,38,41)          12.8779         -DE/DX =    0.0                 !
 ! D342  D(18,1,38,39)        -107.1774         -DE/DX =    0.0                 !
 ! D343  D(18,1,38,41)          16.9161         -DE/DX =    0.0                 !
 ! D344  D(19,1,38,39)         -88.9667         -DE/DX =    0.0                 !
 ! D345  D(19,1,38,41)          35.1268         -DE/DX =    0.0                 !
 ! D346  D(22,1,38,39)         -91.222          -DE/DX =    0.0                 !
 ! D347  D(22,1,38,41)          32.8715         -DE/DX =    0.0                 !
 ! D348  D(24,1,38,39)         -73.9455         -DE/DX =    0.0                 !
 ! D349  D(24,1,38,41)          50.148          -DE/DX =    0.0                 !
 ! D350  D(26,1,38,39)         109.4504         -DE/DX =    0.0                 !
 ! D351  D(26,1,38,41)        -126.456          -DE/DX =    0.0                 !
 ! D352  D(28,1,38,39)         135.4859         -DE/DX =    0.0                 !
 ! D353  D(28,1,38,41)        -100.4206         -DE/DX =    0.0                 !
 ! D354  D(30,1,38,39)         154.0807         -DE/DX =    0.0                 !
 ! D355  D(30,1,38,41)         -81.8258         -DE/DX =    0.0                 !
 ! D356  D(32,1,38,39)        -171.5098         -DE/DX =    0.0                 !
 ! D357  D(32,1,38,41)         -47.4162         -DE/DX =    0.0                 !
 ! D358  D(34,1,38,39)         151.9821         -DE/DX =    0.0                 !
 ! D359  D(34,1,38,41)         -83.9243         -DE/DX =    0.0                 !
 ! D360  D(42,1,38,39)          94.5588         -DE/DX =    0.0                 !
 ! D361  D(42,1,38,41)        -141.3477         -DE/DX =    0.0                 !
 ! D362  D(45,1,38,39)         104.5894         -DE/DX =    0.0                 !
 ! D363  D(45,1,38,41)        -131.317          -DE/DX =    0.0                 !
 ! D364  D(46,1,38,39)         157.9526         -DE/DX =    0.0                 !
 ! D365  D(46,1,38,41)         -77.9538         -DE/DX =    0.0                 !
 ! D366  D(48,1,38,39)         158.3493         -DE/DX =    0.0                 !
 ! D367  D(48,1,38,41)         -77.5572         -DE/DX =    0.0                 !
 ! D368  D(2,1,42,43)            4.9455         -DE/DX =    0.0                 !
 ! D369  D(2,1,42,44)         -133.1475         -DE/DX =    0.0                 !
 ! D370  D(4,1,42,43)           27.8764         -DE/DX =    0.0                 !
 ! D371  D(4,1,42,44)         -110.2165         -DE/DX =    0.0                 !
 ! D372  D(6,1,42,43)           40.0235         -DE/DX =    0.0                 !
 ! D373  D(6,1,42,44)          -98.0695         -DE/DX =    0.0                 !
 ! D374  D(8,1,42,43)           55.3213         -DE/DX =    0.0                 !
 ! D375  D(8,1,42,44)          -82.7716         -DE/DX =    0.0                 !
 ! D376  D(10,1,42,43)          41.9415         -DE/DX =    0.0                 !
 ! D377  D(10,1,42,44)         -96.1515         -DE/DX =    0.0                 !
 ! D378  D(11,1,42,43)          61.5489         -DE/DX =    0.0                 !
 ! D379  D(11,1,42,44)         -76.544          -DE/DX =    0.0                 !
 ! D380  D(14,1,42,43)        -153.0914         -DE/DX =    0.0                 !
 ! D381  D(14,1,42,44)          68.8156         -DE/DX =    0.0                 !
 ! D382  D(16,1,42,43)        -123.7261         -DE/DX =    0.0                 !
 ! D383  D(16,1,42,44)          98.1809         -DE/DX =    0.0                 !
 ! D384  D(18,1,42,43)        -109.9379         -DE/DX =    0.0                 !
 ! D385  D(18,1,42,44)         111.9691         -DE/DX =    0.0                 !
 ! D386  D(19,1,42,43)         -91.1823         -DE/DX =    0.0                 !
 ! D387  D(19,1,42,44)         130.7247         -DE/DX =    0.0                 !
 ! D388  D(22,1,42,43)         -98.993          -DE/DX =    0.0                 !
 ! D389  D(22,1,42,44)         122.914          -DE/DX =    0.0                 !
 ! D390  D(24,1,42,43)         -67.3475         -DE/DX =    0.0                 !
 ! D391  D(24,1,42,44)         154.5595         -DE/DX =    0.0                 !
 ! D392  D(26,1,42,43)         104.7023         -DE/DX =    0.0                 !
 ! D393  D(26,1,42,44)         -33.3907         -DE/DX =    0.0                 !
 ! D394  D(28,1,42,43)         122.5909         -DE/DX =    0.0                 !
 ! D395  D(28,1,42,44)         -15.5021         -DE/DX =    0.0                 !
 ! D396  D(30,1,42,43)         121.1133         -DE/DX =    0.0                 !
 ! D397  D(30,1,42,44)         -16.9797         -DE/DX =    0.0                 !
 ! D398  D(32,1,42,43)         134.6892         -DE/DX =    0.0                 !
 ! D399  D(32,1,42,44)          -3.4038         -DE/DX =    0.0                 !
 ! D400  D(34,1,42,43)         144.9161         -DE/DX =    0.0                 !
 ! D401  D(34,1,42,44)           6.8231         -DE/DX =    0.0                 !
 ! D402  D(38,1,42,43)         -87.8341         -DE/DX =    0.0                 !
 ! D403  D(38,1,42,44)         134.0729         -DE/DX =    0.0                 !
 ! D404  D(46,1,42,43)        -150.4572         -DE/DX =    0.0                 !
 ! D405  D(46,1,42,44)          71.4498         -DE/DX =    0.0                 !
 ! D406  D(48,1,42,43)        -170.2844         -DE/DX =    0.0                 !
 ! D407  D(48,1,42,44)          51.6226         -DE/DX =    0.0                 !
 ! D408  D(2,1,46,47)          110.1058         -DE/DX =    0.0                 !
 ! D409  D(4,1,46,47)          139.2654         -DE/DX =    0.0                 !
 ! D410  D(6,1,46,47)          152.2457         -DE/DX =    0.0                 !
 ! D411  D(8,1,46,47)          165.2551         -DE/DX =    0.0                 !
 ! D412  D(10,1,46,47)         165.3732         -DE/DX =    0.0                 !
 ! D413  D(11,1,46,47)        -166.2455         -DE/DX =    0.0                 !
 ! D414  D(14,1,46,47)         -40.5768         -DE/DX =    0.0                 !
 ! D415  D(16,1,46,47)         -19.0532         -DE/DX =    0.0                 !
 ! D416  D(18,1,46,47)          -0.3051         -DE/DX =    0.0                 !
 ! D417  D(19,1,46,47)          17.1554         -DE/DX =    0.0                 !
 ! D418  D(22,1,46,47)         -12.7291         -DE/DX =    0.0                 !
 ! D419  D(24,1,46,47)           4.0172         -DE/DX =    0.0                 !
 ! D420  D(26,1,46,47)        -144.7122         -DE/DX =    0.0                 !
 ! D421  D(28,1,46,47)        -122.8991         -DE/DX =    0.0                 !
 ! D422  D(30,1,46,47)        -107.8106         -DE/DX =    0.0                 !
 ! D423  D(32,1,46,47)         -89.6536         -DE/DX =    0.0                 !
 ! D424  D(34,1,46,47)        -111.7538         -DE/DX =    0.0                 !
 ! D425  D(38,1,46,47)          74.2232         -DE/DX =    0.0                 !
 ! D426  D(42,1,46,47)         141.4892         -DE/DX =    0.0                 !
 ! D427  D(45,1,46,47)         168.8622         -DE/DX =    0.0                 !
 ! D428  D(3,2,4,6)           -174.7818         -DE/DX =    0.0                 !
 ! D429  D(3,2,4,10)             1.4607         -DE/DX =    0.0                 !
 ! D430  D(5,2,4,6)              3.4992         -DE/DX =    0.0                 !
 ! D431  D(5,2,4,10)           179.7418         -DE/DX =    0.0                 !
 ! D432  D(2,4,6,7)             -6.9255         -DE/DX =    0.0                 !
 ! D433  D(2,4,6,8)            113.3124         -DE/DX =    0.0                 !
 ! D434  D(2,4,6,9)           -127.0828         -DE/DX =    0.0                 !
 ! D435  D(10,4,6,7)           176.6404         -DE/DX =    0.0                 !
 ! D436  D(10,4,6,8)           -63.1218         -DE/DX =    0.0                 !
 ! D437  D(10,4,6,9)            56.483          -DE/DX =    0.0                 !
 ! D438  D(2,4,10,11)         -133.8544         -DE/DX =    0.0                 !
 ! D439  D(2,4,10,12)          -14.0385         -DE/DX =    0.0                 !
 ! D440  D(2,4,10,13)          106.7442         -DE/DX =    0.0                 !
 ! D441  D(6,4,10,11)           42.5686         -DE/DX =    0.0                 !
 ! D442  D(6,4,10,12)          162.3845         -DE/DX =    0.0                 !
 ! D443  D(6,4,10,13)          -76.8328         -DE/DX =    0.0                 !
 ! D444  D(15,14,16,18)          0.2765         -DE/DX =    0.0                 !
 ! D445  D(15,14,16,22)        178.3471         -DE/DX =    0.0                 !
 ! D446  D(17,14,16,18)       -178.4235         -DE/DX =    0.0                 !
 ! D447  D(17,14,16,22)         -0.3529         -DE/DX =    0.0                 !
 ! D448  D(14,16,18,19)        139.3162         -DE/DX =    0.0                 !
 ! D449  D(14,16,18,20)       -101.3142         -DE/DX =    0.0                 !
 ! D450  D(14,16,18,21)         19.4665         -DE/DX =    0.0                 !
 ! D451  D(22,16,18,19)        -38.8461         -DE/DX =    0.0                 !
 ! D452  D(22,16,18,20)         80.5235         -DE/DX =    0.0                 !
 ! D453  D(22,16,18,21)       -158.6957         -DE/DX =    0.0                 !
 ! D454  D(14,16,22,23)        117.2865         -DE/DX =    0.0                 !
 ! D455  D(14,16,22,24)       -123.3206         -DE/DX =    0.0                 !
 ! D456  D(14,16,22,25)         -3.3864         -DE/DX =    0.0                 !
 ! D457  D(18,16,22,23)        -64.5507         -DE/DX =    0.0                 !
 ! D458  D(18,16,22,24)         54.8422         -DE/DX =    0.0                 !
 ! D459  D(18,16,22,25)        174.7764         -DE/DX =    0.0                 !
 ! D460  D(27,26,28,30)       -176.8658         -DE/DX =    0.0                 !
 ! D461  D(27,26,28,34)         -1.2547         -DE/DX =    0.0                 !
 ! D462  D(29,26,28,30)          3.9351         -DE/DX =    0.0                 !
 ! D463  D(29,26,28,34)        179.5463         -DE/DX =    0.0                 !
 ! D464  D(26,28,30,31)        109.8002         -DE/DX =    0.0                 !
 ! D465  D(26,28,30,32)       -130.8975         -DE/DX =    0.0                 !
 ! D466  D(26,28,30,33)        -10.991          -DE/DX =    0.0                 !
 ! D467  D(34,28,30,31)        -65.9861         -DE/DX =    0.0                 !
 ! D468  D(34,28,30,32)         53.3162         -DE/DX =    0.0                 !
 ! D469  D(34,28,30,33)        173.2227         -DE/DX =    0.0                 !
 ! D470  D(26,28,34,35)        -93.6797         -DE/DX =    0.0                 !
 ! D471  D(26,28,34,36)         26.9133         -DE/DX =    0.0                 !
 ! D472  D(26,28,34,37)        146.6945         -DE/DX =    0.0                 !
 ! D473  D(30,28,34,35)         82.13           -DE/DX =    0.0                 !
 ! D474  D(30,28,34,36)       -157.2771         -DE/DX =    0.0                 !
 ! D475  D(30,28,34,37)        -37.4958         -DE/DX =    0.0                 !
 ! D476  D(39,38,40,42)          0.9046         -DE/DX =    0.0                 !
 ! D477  D(39,38,40,46)       -173.1499         -DE/DX =    0.0                 !
 ! D478  D(41,38,40,42)        179.2806         -DE/DX =    0.0                 !
 ! D479  D(41,38,40,46)          5.2261         -DE/DX =    0.0                 !
 ! D480  D(38,40,42,43)        -15.8252         -DE/DX =    0.0                 !
 ! D481  D(38,40,42,44)        104.9666         -DE/DX =    0.0                 !
 ! D482  D(38,40,42,45)       -135.7059         -DE/DX =    0.0                 !
 ! D483  D(46,40,42,43)        158.5316         -DE/DX =    0.0                 !
 ! D484  D(46,40,42,44)        -80.6766         -DE/DX =    0.0                 !
 ! D485  D(46,40,42,45)         38.6509         -DE/DX =    0.0                 !
 ! D486  D(38,40,46,47)         -6.3703         -DE/DX =    0.0                 !
 ! D487  D(38,40,46,48)        113.7505         -DE/DX =    0.0                 !
 ! D488  D(38,40,46,49)       -126.8236         -DE/DX =    0.0                 !
 ! D489  D(42,40,46,47)        179.2662         -DE/DX =    0.0                 !
 ! D490  D(42,40,46,48)        -60.613          -DE/DX =    0.0                 !
 ! D491  D(42,40,46,49)         58.8129         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 Lowest energy point so far.  Saving SCF results.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Largest change from initial coordinates is atom   39       0.472 Angstoms.
 Leave Link  103 at Mon Nov 14 06:06:24 2016, MaxMem=  2952790016 cpu:        13.5
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.783214   -0.576534    1.629673
      2          6           0       -2.040529    1.108401   -1.409999
      3          8           0       -2.557804    0.119754   -1.958218
      4          7           0       -0.753894    1.187907   -0.972894
      5          1           0       -2.617107    2.031188   -1.198340
      6          6           0       -0.265567    2.354959   -0.237503
      7          1           0       -1.038590    3.136048   -0.229755
      8          1           0       -0.022620    2.070911    0.799357
      9          1           0        0.644571    2.747016   -0.719561
     10          6           0        0.189629    0.080328   -1.141771
     11          1           0        0.728967   -0.085803   -0.196044
     12          1           0       -0.361302   -0.829573   -1.413019
     13          1           0        0.924081    0.318474   -1.928730
     14          6           0       -2.084480   -3.938193    2.693938
     15          8           0       -2.232838   -3.739060    3.911699
     16          7           0       -2.992284   -3.634029    1.726923
     17          1           0       -1.155104   -4.376579    2.278792
     18          6           0       -4.279920   -3.012084    2.048353
     19          1           0       -4.504001   -2.245239    1.290473
     20          1           0       -5.087226   -3.763382    2.040236
     21          1           0       -4.221472   -2.546057    3.040120
     22          6           0       -2.714438   -3.873521    0.310279
     23          1           0       -3.427565   -4.606541   -0.101360
     24          1           0       -2.819075   -2.930290   -0.251252
     25          1           0       -1.689952   -4.253451    0.193004
     26          6           0        1.610329    0.360859    2.574297
     27          8           0        1.463622    1.389428    3.255762
     28          7           0        1.206573   -0.888503    2.933177
     29          1           0        2.087925    0.380557    1.574851
     30          6           0        1.481832   -2.056255    2.094560
     31          1           0        2.233024   -2.705994    2.574417
     32          1           0        0.557255   -2.640027    1.955248
     33          1           0        1.852537   -1.725525    1.114465
     34          6           0        0.559460   -1.134756    4.224290
     35          1           0        1.301006   -1.439315    4.982551
     36          1           0        0.053697   -0.219502    4.556959
     37          1           0       -0.177435   -1.941912    4.105929
     38          6           0       -4.602137    0.974178    2.911771
     39          8           0       -4.855211    1.526532    1.827090
     40          7           0       -3.545059    1.266920    3.717897
     41          1           0       -5.225188    0.148978    3.310786
     42          6           0       -2.580007    2.315878    3.375253
     43          1           0       -2.684227    2.578442    2.314582
     44          1           0       -2.748012    3.211371    3.995779
     45          1           0       -1.561714    1.942205    3.564232
     46          6           0       -3.239768    0.467807    4.905160
     47          1           0       -4.034564   -0.272701    5.069324
     48          1           0       -2.277729   -0.054580    4.764526
     49          1           0       -3.159703    1.121395    5.788588
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484943   0.000000
     3  O    3.736009   1.243198   0.000000
     4  N    3.308490   1.361180   2.316442   0.000000
     5  H    3.936147   1.108502   2.057793   2.057550   0.000000
     6  C    3.792526   2.465592   3.634742   1.463309   2.560816
     7  H    4.218436   2.551119   3.793893   2.104414   2.156523
     8  H    3.286043   3.143188   4.223552   2.110766   3.274711
     9  H    4.739095   3.220485   4.323422   2.109669   3.373453
    10  C    3.464748   2.470321   2.866448   1.464748   3.418600
    11  H    3.144060   3.251141   3.735020   2.103500   4.084417
    12  H    3.368061   2.564285   2.454197   2.101919   3.649479
    13  H    4.559903   3.111588   3.487676   2.117814   4.000859
    14  C    3.538951   6.504794   6.191407   6.441508   7.146120
    15  O    3.925733   7.201065   7.032210   7.093768   7.717249
    16  N    3.289313   5.765133   5.278250   5.962422   6.386909
    17  H    3.905921   6.669045   6.335363   6.457394   7.435548
    18  C    3.512939   5.826961   5.369051   6.261048   6.224191
    19  H    3.209722   4.960660   4.464848   5.565305   5.295506
    20  H    4.608802   6.702295   6.120813   7.236849   7.082859
    21  H    3.437076   6.157528   5.904043   6.486207   6.441250
    22  C    3.671253   5.313479   4.595308   5.577483   6.095161
    23  H    4.684156   6.024697   5.151919   6.440786   6.776404
    24  H    3.186071   4.273155   3.504963   4.663184   5.055099
    25  H    3.948725   5.607315   4.950338   5.643040   6.503241
    26  C    3.645155   5.455474   6.162399   4.342364   5.907115
    27  O    4.129300   5.841864   6.705932   4.779072   6.074803
    28  N    3.276472   5.778795   6.254027   4.838626   6.341495
    29  H    3.988075   5.146185   5.842379   3.901122   5.705480
    30  C    3.614722   5.891011   6.121983   4.993229   6.659706
    31  H    4.642985   6.977711   7.175073   6.055375   7.758761
    32  H    3.137163   5.667811   5.712722   4.994618   6.468535
    33  H    3.847636   5.436912   5.683092   4.431550   6.280101
    34  C    3.540024   6.598250   7.036656   5.842122   7.036952
    35  H    4.636658   7.649929   8.092922   6.825851   8.099347
    36  H    3.474294   6.461710   7.027273   5.763010   6.732181
    37  H    3.251865   6.572746   6.833045   5.993540   7.062067
    38  C    3.463353   5.025689   5.350340   5.472228   4.685149
    39  O    3.728140   4.309990   4.646037   4.977487   3.796974
    40  N    3.295923   5.346407   5.874432   5.458972   5.061086
    41  H    3.898679   5.774804   5.905776   6.278675   5.538683
    42  C    3.471020   4.964642   5.767960   4.849061   4.582595
    43  H    3.351835   4.055597   4.931323   4.057989   3.555926
    44  H    4.569193   5.843411   6.711509   5.723515   5.328118
    45  H    3.183651   5.066307   5.900083   4.669803   4.878921
    46  C    3.733767   6.459858   6.905952   6.422588   6.331238
    47  H    4.122147   6.918472   7.191744   7.028839   6.826470
    48  H    3.216253   6.287571   6.730833   6.064968   6.326245
    49  H    4.698326   7.285079   7.834447   7.177046   7.066774
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098965   0.000000
     8  H    1.102173   1.796046   0.000000
     9  H    1.102016   1.795629   1.791472   0.000000
    10  C    2.489749   3.417268   2.788449   2.737967   0.000000
    11  H    2.635932   3.675012   2.491410   2.882024   1.101311
    12  H    3.395916   4.193445   3.663621   3.779505   1.097734
    13  H    2.902203   3.831098   3.377830   2.727276   1.102469
    14  C    7.176737   7.725720   6.629482   7.986972   6.002728
    15  O    7.630407   8.114492   6.951799   8.473325   6.781861
    16  N    6.867454   7.312964   6.498124   7.741430   5.670134
    17  H    7.241314   7.921234   6.711287   7.935652   5.776900
    18  C    7.081336   7.314063   6.746957   8.067168   6.302124
    19  H    6.439010   6.578633   6.241243   7.447861   5.775312
    20  H    8.116070   8.315434   7.824896   9.102487   7.262539
    21  H    7.100138   7.287602   6.630820   8.113582   6.621475
    22  C    6.714983   7.227320   6.543802   7.495000   5.116148
    23  H    7.647173   8.103787   7.549391   8.428480   6.011097
    24  H    5.869791   6.322265   5.825457   6.666930   4.348464
    25  H    6.773868   7.430187   6.568501   7.435678   4.908777
    26  C    3.924493   4.751963   2.956555   4.180423   3.988264
    27  O    4.015625   4.632555   2.950807   4.279846   4.761838
    28  N    4.768695   5.589445   3.849966   5.184143   4.310222
    29  H    3.566765   4.541412   2.813021   3.598295   3.327717
    30  C    5.286845   6.222135   4.579784   5.629538   4.087617
    31  H    6.305799   7.259221   5.572934   6.565729   5.074358
    32  H    5.516800   6.378401   4.885210   6.015186   4.138479
    33  H    4.792132   5.813813   4.245990   4.982615   3.334211
    34  C    5.724192   6.374326   4.727080   6.286259   5.514328
    35  H    6.640755   7.319548   5.618967   7.104249   6.407168
    36  H    5.451298   5.946884   4.401294   6.082025   5.708231
    37  H    6.110341   6.732415   5.201936   6.778429   5.635827
    38  C    5.534467   5.219362   5.161114   6.622497   6.339653
    39  O    5.100360   4.624689   4.970565   6.182444   6.029598
    40  N    5.252056   5.035870   4.644552   6.279707   6.242778
    41  H    6.484948   6.243846   6.088334   7.579417   7.010721
    42  C    4.290707   4.005587   3.638059   5.229845   5.750832
    43  H    3.523209   3.081022   3.104456   4.507254   5.142567
    44  H    4.981632   4.558830   4.352646   5.827493   6.695341
    45  H    4.037766   4.011640   3.167004   4.885314   5.355395
    46  C    6.233314   6.191287   5.456886   7.205579   6.962491
    47  H    7.019427   6.976795   6.310375   8.032695   7.519717
    48  H    5.905503   6.054619   5.032474   6.816449   6.402374
    49  H    6.797903   6.691666   5.969531   7.711754   7.767350
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795246   0.000000
    13  H    1.789892   1.798939   0.000000
    14  C    5.577490   5.431386   6.967046   0.000000
    15  O    6.244368   6.349834   7.780768   1.242822   0.000000
    16  N    5.489574   4.964502   6.657627   1.360787   2.315391
    17  H    5.299556   5.180815   6.638507   1.108273   2.057749
    18  C    6.220080   5.665688   7.347887   2.468687   2.862010
    19  H    5.852935   5.145380   6.811752   3.269540   3.776309
    20  H    7.235581   6.547256   8.279496   3.078046   3.413283
    21  H    6.405658   6.138215   7.705306   2.573833   2.477412
    22  C    5.143948   4.215759   5.985383   2.466345   3.635966
    23  H    6.141889   5.038641   6.821428   3.172421   4.276043
    24  H    4.547829   3.435602   5.232554   3.198381   4.281115
    25  H    4.834441   4.008436   5.677801   2.551413   3.793154
    26  C    2.941274   4.604687   4.555215   5.669901   5.776497
    27  O    3.825048   5.481955   5.321373   6.425591   6.355743
    28  N    3.265648   4.620728   5.017443   4.493203   4.573044
    29  H    2.280423   4.048518   3.692353   6.108431   6.411014
    30  C    3.113896   4.147891   4.705028   4.076706   4.464594
    31  H    4.099152   5.113818   5.580240   4.491486   4.774880
    32  H    3.343890   3.932774   4.896180   3.034742   3.580530
    33  H    2.380867   3.477353   3.781666   4.784427   5.345010
    34  C    4.546249   5.720156   6.332810   4.146283   3.831063
    35  H    5.383035   6.636141   7.141268   4.789954   4.350127
    36  H    4.802593   6.015401   6.565908   4.676678   4.246398
    37  H    4.772177   5.632929   6.537568   3.100915   2.737179
    38  C    6.261210   6.319969   7.375601   5.524259   5.369176
    39  O    6.154327   6.020362   6.997557   6.188020   6.240905
    40  N    5.951143   6.392018   7.263413   5.502271   5.178737
    41  H    6.914112   6.850495   8.080518   5.191292   4.942883
    42  C    5.428770   6.143620   6.663370   6.310558   6.088561
    43  H    5.005131   5.559277   6.011077   6.555161   6.531873
    44  H    6.366484   7.161055   7.546716   7.297351   6.970005
    45  H    4.847651   5.822094   6.244063   5.967393   5.731310
    46  C    6.486881   7.063154   8.003874   5.063302   4.438311
    47  H    7.102835   7.471528   8.597117   4.783421   4.074550
    48  H    5.800728   6.514243   7.429026   4.405352   3.782158
    49  H    7.238433   7.968718   8.768066   6.027636   5.292052
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056981   0.000000
    18  C    1.465653   3.417518   0.000000
    19  H    2.098693   4.090782   1.101202   0.000000
    20  H    2.122187   3.986791   1.102841   1.790825   0.000000
    21  H    2.102159   3.651444   1.097360   1.797660   1.797548
    22  C    1.463364   2.561178   2.492732   2.610482   2.938538
    23  H    2.116098   3.298800   2.808927   2.944768   2.837573
    24  H    2.106757   3.355841   2.725609   2.384363   3.330085
    25  H    2.105388   2.156787   3.419247   3.627151   3.897935
    26  C    6.153147   5.493475   6.807966   6.769415   7.883643
    27  O    6.886768   6.407733   7.336172   7.258491   8.422741
    28  N    5.159783   4.262911   5.949295   6.095069   6.976688
    29  H    6.476770   5.800269   7.230745   7.101349   8.298892
    30  C    4.758387   3.517283   5.840679   6.042555   6.787471
    31  H    5.374323   3.789151   6.541321   6.873741   7.415490
    32  H    3.693156   2.460176   4.852356   5.119970   5.755807
    33  H    5.243070   4.174883   6.335173   6.380176   7.291792
    34  C    5.009800   4.151399   5.628380   5.956433   6.600367
    35  H    5.817923   4.687251   6.498451   6.926692   7.407295
    36  H    5.380158   4.892090   5.733398   5.962060   6.732168
    37  H    4.055404   3.197166   4.712671   5.170877   5.629466
    38  C    5.023053   6.396351   4.091405   3.605952   4.841422
    39  O    5.487433   6.981515   4.580278   3.825907   5.299288
    40  N    5.318725   6.295395   4.651588   4.375753   5.522387
    41  H    4.669649   6.173432   3.532644   3.214662   4.115810
    42  C    6.187758   6.929759   5.747829   5.371392   6.710128
    43  H    6.247802   7.121223   5.819887   5.256260   6.787370
    44  H    7.215738   7.941183   6.698552   6.338515   7.612047
    45  H    6.042899   6.461016   5.850771   5.600154   6.877902
    46  C    5.194949   5.891665   4.620920   4.693066   5.433586
    47  H    4.853505   5.737611   4.085423   4.288472   4.740077
    48  H    4.748691   5.110659   4.487002   4.671650   5.391683
    49  H    6.256133   6.823841   5.685938   5.777058   6.451863
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389003   0.000000
    23  H    3.839893   1.102414   0.000000
    24  H    3.598261   1.102701   1.789566   0.000000
    25  H    4.174908   1.098941   1.797393   1.795281   0.000000
    26  C    6.532768   6.462148   7.564032   6.199597   6.152582
    27  O    6.917720   7.336940   8.434787   7.021439   7.153153
    28  N    5.676495   5.582495   6.671391   5.524067   5.217401
    29  H    7.107783   6.539038   7.622432   6.194756   6.136439
    30  C    5.801868   4.908645   5.952160   4.976401   4.301604
    31  H    6.473251   5.564784   6.543251   5.792963   4.843087
    32  H    4.901225   3.864117   4.896489   4.043822   3.280027
    33  H    6.424563   5.110563   6.136608   5.014040   4.448452
    34  C    5.123607   5.791263   6.830879   5.888031   5.571120
    35  H    5.957826   6.624143   7.631308   6.825743   6.309117
    36  H    5.098111   6.248897   7.284589   6.222546   6.193316
    37  H    4.225539   4.957263   5.946837   5.190392   4.789770
    38  C    3.543083   5.816473   6.450039   5.331876   6.572718
    39  O    4.296400   6.003682   6.585718   5.322464   6.789499
    40  N    3.931375   6.223015   7.007002   5.822179   6.807406
    41  H    2.888585   5.611363   6.122838   5.287663   6.449793
    42  C    5.142484   6.908024   7.792630   6.382082   7.353569
    43  H    5.399076   6.756179   7.616646   6.078471   7.222495
    44  H    6.019331   7.986221   8.852575   7.467417   8.444178
    45  H    5.243426   6.763110   7.733308   6.315068   7.054628
    46  C    3.677703   6.343188   7.130885   6.189720   6.848110
    47  H    3.052991   6.112049   6.773964   6.070315   6.717296
    48  H    3.599885   5.883480   6.761606   5.806960   6.234966
    49  H    4.704427   7.426931   8.220248   7.280923   7.896815
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242527   0.000000
    28  N    1.361146   2.314975   0.000000
    29  H    1.107870   2.057434   2.057266   0.000000
    30  C    2.467609   3.636132   1.463793   2.564274   0.000000
    31  H    3.129431   4.222404   2.117920   3.247613   1.103048
    32  H    3.239985   4.330052   2.108505   3.407577   1.102289
    33  H    2.557884   3.799914   2.103708   2.168628   1.098814
    34  C    2.462451   2.850800   1.465048   3.413488   2.497134
    35  H    3.022581   3.318137   2.124205   3.942536   2.958683
    36  H    2.586672   2.503928   2.100798   3.659388   3.387719
    37  H    3.293137   3.809683   2.097736   4.114860   2.609951
    38  C    6.251783   6.089679   6.100094   6.848114   6.845877
    39  O    6.612135   6.479780   6.618236   7.041592   7.284642
    40  N    5.357873   5.031448   5.276328   6.091699   6.240861
    41  H    6.878343   6.803082   6.525833   7.519888   7.164242
    42  C    4.692819   4.150123   4.980128   5.364373   6.103626
    43  H    4.840283   4.416359   5.247923   5.305783   6.235773
    44  H    5.398256   4.648113   5.794552   6.104152   7.018126
    45  H    3.680012   3.090853   4.009308   4.440298   5.235532
    46  C    5.382175   5.068705   5.049578   6.283540   6.046806
    47  H    6.204142   6.023432   5.693141   7.079757   6.516204
    48  H    4.481817   4.284768   4.023633   5.424233   5.026899
    49  H    5.802008   5.278464   5.590834   6.770673   6.729573
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787715   0.000000
    33  H    1.799320   1.794711   0.000000
    34  C    2.826957   2.722939   3.419366   0.000000
    35  H    2.876151   3.340575   3.917677   1.103452   0.000000
    36  H    3.855202   3.589068   4.165897   1.097340   1.795787
    37  H    2.956292   2.377512   3.621666   1.099330   1.790771
    38  C    7.770258   6.371557   7.223678   5.728211   6.705235
    39  O    8.289503   6.831649   7.488497   6.492125   7.526765
    40  N    7.104776   5.932971   6.698256   4.782422   5.692750
    41  H    8.019852   6.561454   7.644068   5.995383   6.921610
    42  C    7.001843   6.034883   6.410268   4.741729   5.634460
    43  H    7.223029   6.153758   6.367624   5.287375   6.256398
    44  H    7.864235   7.023348   7.337572   5.466297   6.244769
    45  H    6.081573   5.298652   5.577698   3.795095   4.652040
    46  C    6.742168   5.725207   6.716520   4.179226   4.925620
    47  H    7.171342   6.032123   7.239445   4.749977   5.462310
    48  H    5.672166   4.755387   5.759696   3.083550   3.843484
    49  H    7.352640   6.531353   7.421249   4.622707   5.206233
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795424   0.000000
    38  C    5.080188   5.432088   0.000000
    39  O    5.882024   6.253383   1.243252   0.000000
    40  N    3.983029   4.667769   1.361231   2.314962   0.000000
    41  H    5.436483   5.521221   1.108314   2.058128   2.058729
    42  C    3.842002   4.943179   2.470624   2.862941   1.465962
    43  H    4.511427   5.470515   2.570734   2.461164   2.104856
    44  H    4.464906   5.759889   3.101271   3.461529   2.119763
    45  H    2.875420   4.158850   3.256832   3.746674   2.100782
    46  C    3.382389   3.977864   2.466994   3.633878   1.463344
    47  H    4.120586   4.311826   2.555754   3.797734   2.106276
    48  H    2.346451   2.899484   3.145459   4.215668   2.109009
    49  H    3.693353   4.594466   3.221547   4.328088   2.111264
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420028   0.000000
    43  H    3.653929   1.097645   0.000000
    44  H    3.997983   1.102355   1.797524   0.000000
    45  H    4.086678   1.101029   1.796235   1.790060   0.000000
    46  C    2.566237   2.488225   3.387403   2.931883   2.605341
    47  H    2.165145   3.418531   4.188201   3.866067   3.645010
    48  H    3.292766   2.764149   3.619429   3.388004   2.437321
    49  H    3.369173   2.754455   3.797076   2.784179   2.859206
                   46         47         48         49
    46  C    0.000000
    47  H    1.098637   0.000000
    48  H    1.103715   1.796371   0.000000
    49  H    1.101831   1.796170   1.791508   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2165233      0.1953421      0.1844780
 Leave Link  202 at Mon Nov 14 06:06:25 2016, MaxMem=  2952790016 cpu:         0.1
 (Enter /mnt/data/applications/G09/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Alpha  occ. eigenvalues --  -18.75101 -18.75074 -18.75045 -18.74967 -14.05576
 Alpha  occ. eigenvalues --  -14.05532 -14.05516 -14.05418 -10.00616 -10.00599
 Alpha  occ. eigenvalues --  -10.00579 -10.00457  -9.94124  -9.94115  -9.94022
 Alpha  occ. eigenvalues --   -9.93959  -9.93877  -9.93863  -9.93839  -9.93627
 Alpha  occ. eigenvalues --   -0.95091  -0.95047  -0.95014  -0.94897  -0.92591
 Alpha  occ. eigenvalues --   -0.86516  -0.86470  -0.86443  -0.86361  -0.66377
 Alpha  occ. eigenvalues --   -0.66340  -0.66258  -0.66168  -0.64024  -0.63974
 Alpha  occ. eigenvalues --   -0.63945  -0.63880  -0.51504  -0.51394  -0.51230
 Alpha  occ. eigenvalues --   -0.51065  -0.47135  -0.47002  -0.46771  -0.46066
 Alpha  occ. eigenvalues --   -0.45977  -0.45972  -0.45935  -0.42888  -0.41877
 Alpha  occ. eigenvalues --   -0.41798  -0.41743  -0.41665  -0.41565  -0.41430
 Alpha  occ. eigenvalues --   -0.41381  -0.37099  -0.36717  -0.36660  -0.36290
 Alpha  occ. eigenvalues --   -0.36082  -0.36028  -0.35834  -0.35608  -0.35532
 Alpha  occ. eigenvalues --   -0.35405  -0.35344  -0.35310  -0.34307  -0.34224
 Alpha  occ. eigenvalues --   -0.34058  -0.33995  -0.33635  -0.33547  -0.33327
 Alpha  occ. eigenvalues --   -0.33087  -0.22231  -0.22109  -0.22098  -0.21991
 Alpha  occ. eigenvalues --   -0.21796  -0.21747  -0.21642  -0.21428
 Alpha virt. eigenvalues --   -0.02580  -0.02577  -0.02454  -0.02305  -0.01637
 Alpha virt. eigenvalues --   -0.00686  -0.00535  -0.00383   0.02036   0.02118
 Alpha virt. eigenvalues --    0.02364   0.02366   0.02789   0.03377   0.03975
 Alpha virt. eigenvalues --    0.04554   0.04677   0.04890   0.05052   0.05327
 Alpha virt. eigenvalues --    0.05510   0.05948   0.05964   0.06417   0.06579
 Alpha virt. eigenvalues --    0.06681   0.07037   0.07406   0.07810   0.08074
 Alpha virt. eigenvalues --    0.08385   0.08643   0.08917   0.09479   0.10025
 Alpha virt. eigenvalues --    0.10240   0.10287   0.10536   0.11038   0.11102
 Alpha virt. eigenvalues --    0.11488   0.11688   0.11851   0.12007   0.12276
 Alpha virt. eigenvalues --    0.12364   0.12580   0.12796   0.12936   0.13525
 Alpha virt. eigenvalues --    0.13761   0.14149   0.14526   0.14901   0.15520
 Alpha virt. eigenvalues --    0.15650   0.16014   0.16307   0.16690   0.16931
 Alpha virt. eigenvalues --    0.17609   0.17772   0.17949   0.18138   0.18418
 Alpha virt. eigenvalues --    0.18660   0.18968   0.19403   0.19598   0.20002
 Alpha virt. eigenvalues --    0.20717   0.20857   0.21202   0.21566   0.21673
 Alpha virt. eigenvalues --    0.21997   0.22150   0.22512   0.22889   0.23146
 Alpha virt. eigenvalues --    0.23730   0.23831   0.24337   0.24673   0.25057
 Alpha virt. eigenvalues --    0.25340   0.25715   0.26048   0.26357   0.26567
 Alpha virt. eigenvalues --    0.26747   0.27058   0.27403   0.27949   0.28315
 Alpha virt. eigenvalues --    0.28517   0.29053   0.29146   0.29416   0.29717
 Alpha virt. eigenvalues --    0.30364   0.30717   0.31208   0.31430   0.31680
 Alpha virt. eigenvalues --    0.32122   0.32905   0.33335   0.33588   0.34349
 Alpha virt. eigenvalues --    0.34617   0.35186   0.35690   0.36310   0.36495
 Alpha virt. eigenvalues --    0.36943   0.37364   0.37535   0.37994   0.38072
 Alpha virt. eigenvalues --    0.38336   0.39606   0.39807   0.39876   0.40386
 Alpha virt. eigenvalues --    0.41531   0.43697   0.43798   0.44285   0.45281
 Alpha virt. eigenvalues --    0.45489   0.47278   0.47637   0.56955   0.60770
 Alpha virt. eigenvalues --    0.61949   0.62482   0.64725   0.65090   0.66258
 Alpha virt. eigenvalues --    0.66601   0.66979   0.68087   0.68853   0.69463
 Alpha virt. eigenvalues --    0.69919   0.70910   0.71701   0.72663   0.72967
 Alpha virt. eigenvalues --    0.73667   0.74169   0.74983   0.75357   0.75612
 Alpha virt. eigenvalues --    0.76339   0.77959   0.78419   0.78550   0.79303
 Alpha virt. eigenvalues --    0.80303   0.80710   0.80970   0.81841   0.82279
 Alpha virt. eigenvalues --    0.82999   0.83422   0.84478   0.84787   0.86056
 Alpha virt. eigenvalues --    0.87232   0.88502   0.89618   0.90770   0.91175
 Alpha virt. eigenvalues --    0.91267   0.91425   0.92652   0.93107   0.93996
 Alpha virt. eigenvalues --    0.94436   0.95135   0.95353   0.95767   0.96182
 Alpha virt. eigenvalues --    0.96900   0.97908   0.98590   0.98755   0.99700
 Alpha virt. eigenvalues --    1.00631   1.01617   1.01844   1.02681   1.03885
 Alpha virt. eigenvalues --    1.05370   1.05716   1.06726   1.07386   1.08586
 Alpha virt. eigenvalues --    1.09928   1.10381   1.11144   1.11997   1.12542
 Alpha virt. eigenvalues --    1.13977   1.14511   1.15534   1.17749   1.17970
 Alpha virt. eigenvalues --    1.19019   1.19944   1.21370   1.21615   1.22379
 Alpha virt. eigenvalues --    1.22609   1.23974   1.24129   1.25212   1.27190
 Alpha virt. eigenvalues --    1.27908   1.28581   1.28842   1.29619   1.29886
 Alpha virt. eigenvalues --    1.30686   1.30918   1.31167   1.31538   1.33003
 Alpha virt. eigenvalues --    1.33947   1.34706   1.35576   1.35726   1.36986
 Alpha virt. eigenvalues --    1.37297   1.38523   1.39503   1.41434   1.43259
 Alpha virt. eigenvalues --    1.44637   1.45119   1.46850   1.48115   1.48836
 Alpha virt. eigenvalues --    1.49426   1.49818   1.51874   1.52924   1.53116
 Alpha virt. eigenvalues --    1.54035   1.68513   1.69097   1.69544   1.70202
 Alpha virt. eigenvalues --    1.72027   1.72177   1.73240   1.73844   1.78011
 Alpha virt. eigenvalues --    1.79107   1.79906   1.80867   1.83982   1.84336
 Alpha virt. eigenvalues --    1.84409   1.84585   1.85399   1.85494   1.86031
 Alpha virt. eigenvalues --    1.86921   1.89301   1.89529   1.89970   1.90080
 Alpha virt. eigenvalues --    1.91140   1.92153   1.92230   1.92492   1.93091
 Alpha virt. eigenvalues --    1.93569   1.94401   1.95712   2.01145   2.01443
 Alpha virt. eigenvalues --    2.01564   2.01721   2.02399   2.02960   2.03086
 Alpha virt. eigenvalues --    2.03931   2.09349   2.09920   2.10582   2.10980
 Alpha virt. eigenvalues --    2.16659   2.17759   2.18071   2.18899   2.19043
 Alpha virt. eigenvalues --    2.19162   2.19495   2.20139   2.24987   2.25546
 Alpha virt. eigenvalues --    2.26184   2.26364   2.29582   2.29816   2.30704
 Alpha virt. eigenvalues --    2.30854   2.33757   2.34390   2.34760   2.35056
 Alpha virt. eigenvalues --    2.35658   2.36256   2.36693   2.37313   2.49439
 Alpha virt. eigenvalues --    2.49811   2.50125   2.50200   2.56571   2.56712
 Alpha virt. eigenvalues --    2.56903   2.57201   2.59240   2.59811   2.60550
 Alpha virt. eigenvalues --    2.60880   2.77337   2.77699   2.77735   2.78170
 Alpha virt. eigenvalues --    2.95182   2.95362   2.95707   2.95911   3.07482
 Alpha virt. eigenvalues --    3.07805   3.08143   3.08693  11.63713
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  Cs   8.829460  -0.126407  -0.004968   0.063045  -0.006196  -0.045709
     2  C   -0.126407   5.262663   0.464776   0.039759   0.442928  -0.035899
     3  O   -0.004968   0.464776   8.273776  -0.215540  -0.042209   0.034594
     4  N    0.063045   0.039759  -0.215540   7.589208  -0.173808   0.047782
     5  H   -0.006196   0.442928  -0.042209  -0.173808   0.565145   0.006856
     6  C   -0.045709  -0.035899   0.034594   0.047782   0.006856   5.543858
     7  H   -0.002713   0.002329   0.002069  -0.071543   0.007337   0.406648
     8  H   -0.007435   0.005064   0.000253  -0.059996  -0.000132   0.374298
     9  H    0.004549  -0.012276  -0.000843  -0.043334  -0.000081   0.398718
    10  C   -0.064128  -0.137343  -0.012500  -0.004819   0.006231  -0.105892
    11  H   -0.006518   0.007890   0.000749  -0.067141  -0.000094  -0.001231
    12  H   -0.004598  -0.011390   0.012785  -0.068831   0.000328   0.003120
    13  H    0.004380  -0.005187   0.000323  -0.031501  -0.000125  -0.007176
    14  C   -0.116047  -0.004661  -0.000778   0.003192   0.000008  -0.001601
    15  O    0.014131  -0.000026   0.000004  -0.000082   0.000000  -0.000105
    16  N    0.067112  -0.001285  -0.001365   0.002102  -0.000010   0.001554
    17  H   -0.006850  -0.000003  -0.000001  -0.000008   0.000000  -0.000025
    18  C   -0.059361   0.004604   0.000715  -0.001150  -0.000114  -0.001312
    19  H   -0.003715   0.000737  -0.000058  -0.000133   0.000000  -0.000064
    20  H    0.004355   0.000001   0.000000   0.000002   0.000000   0.000006
    21  H   -0.004959  -0.000221   0.000002   0.000014   0.000000  -0.000011
    22  C   -0.073923   0.002924   0.000744  -0.002214   0.000200  -0.000866
    23  H    0.005462  -0.000098   0.000005   0.000031   0.000000   0.000024
    24  H   -0.009410   0.002969   0.000833  -0.001129   0.000002  -0.000280
    25  H   -0.004452  -0.000206  -0.000003  -0.000019   0.000000  -0.000037
    26  C   -0.074140  -0.002603  -0.000031   0.002756   0.000009   0.016350
    27  O    0.013933  -0.001330  -0.000011  -0.000856  -0.000003  -0.005744
    28  N    0.027811   0.009536  -0.000083  -0.003692  -0.000007  -0.004793
    29  H   -0.005482   0.000651   0.000001   0.002268   0.000000   0.000163
    30  C   -0.048863  -0.007722  -0.000541  -0.000511  -0.000056  -0.000806
    31  H    0.003296   0.000081   0.000000  -0.000010   0.000000  -0.000068
    32  H   -0.007483  -0.000362   0.000004   0.000182   0.000000   0.000471
    33  H   -0.002431  -0.000134   0.000000  -0.000181   0.000000  -0.000583
    34  C   -0.040037  -0.005498  -0.000023   0.005798   0.000010  -0.003764
    35  H    0.000673   0.000014   0.000000  -0.000006   0.000000  -0.000027
    36  H    0.002367  -0.000030   0.000000   0.000002   0.000000  -0.000216
    37  H   -0.004794  -0.000091   0.000000   0.000024   0.000000   0.000129
    38  C   -0.093820   0.006809  -0.002493   0.001012   0.000225  -0.000593
    39  O    0.001077   0.011451  -0.001063  -0.001626   0.000447  -0.005582
    40  N    0.060668  -0.004264   0.000327  -0.001513   0.000074   0.004927
    41  H   -0.006100   0.000576  -0.000011  -0.000007   0.000000  -0.000230
    42  C   -0.066784  -0.000718   0.000056   0.002887  -0.000720  -0.004547
    43  H   -0.001212   0.002126  -0.000039  -0.000726   0.000071  -0.000883
    44  H    0.002880  -0.000015   0.000000  -0.000026   0.000000   0.000494
    45  H   -0.004089  -0.000054   0.000003   0.000005   0.000000  -0.002121
    46  C   -0.060589  -0.003133  -0.000583   0.003880  -0.000156  -0.001478
    47  H   -0.002734  -0.000001   0.000000  -0.000001   0.000000  -0.000013
    48  H   -0.005112  -0.000028   0.000000   0.000010   0.000000  -0.000126
    49  H    0.003219   0.000013   0.000000  -0.000003   0.000000   0.000052
               7          8          9         10         11         12
     1  Cs  -0.002713  -0.007435   0.004549  -0.064128  -0.006518  -0.004598
     2  C    0.002329   0.005064  -0.012276  -0.137343   0.007890  -0.011390
     3  O    0.002069   0.000253  -0.000843  -0.012500   0.000749   0.012785
     4  N   -0.071543  -0.059996  -0.043334  -0.004819  -0.067141  -0.068831
     5  H    0.007337  -0.000132  -0.000081   0.006231  -0.000094   0.000328
     6  C    0.406648   0.374298   0.398718  -0.105892  -0.001231   0.003120
     7  H    0.457065  -0.023668  -0.020314   0.002575   0.000159  -0.000151
     8  H   -0.023668   0.482529  -0.035884   0.000231   0.004595   0.000122
     9  H   -0.020314  -0.035884   0.474825  -0.004921  -0.001860  -0.000044
    10  C    0.002575   0.000231  -0.004921   5.754729   0.390316   0.414941
    11  H    0.000159   0.004595  -0.001860   0.390316   0.479099  -0.026342
    12  H   -0.000151   0.000122  -0.000044   0.414941  -0.026342   0.443374
    13  H   -0.000061  -0.000730   0.003027   0.380496  -0.029109  -0.019882
    14  C    0.000001  -0.000092   0.000007  -0.000729   0.000105  -0.000198
    15  O    0.000000   0.000000   0.000000   0.000328   0.000001   0.000000
    16  N   -0.000001   0.000011   0.000000  -0.005382   0.000040  -0.000231
    17  H    0.000000   0.000000   0.000000   0.000029   0.000000   0.000000
    18  C   -0.000011  -0.000027   0.000005   0.000764  -0.000139   0.000094
    19  H    0.000000   0.000000   0.000000  -0.000097   0.000000   0.000000
    20  H    0.000000   0.000000   0.000000  -0.000006   0.000000   0.000000
    21  H    0.000000   0.000000   0.000000   0.000063   0.000000   0.000000
    22  C    0.000004  -0.000065   0.000009   0.006130  -0.000480   0.000810
    23  H    0.000000   0.000000   0.000000  -0.000174   0.000000   0.000000
    24  H    0.000000   0.000000   0.000000   0.000879   0.000000   0.000091
    25  H    0.000000   0.000000   0.000000   0.000083   0.000001   0.000003
    26  C    0.000198   0.022353  -0.005400  -0.013822   0.016817  -0.001746
    27  O    0.000038  -0.000723   0.000566  -0.000937  -0.001090   0.000014
    28  N   -0.000027  -0.004927   0.000499   0.010620  -0.002007   0.000174
    29  H    0.000008  -0.000653   0.000082  -0.006144   0.002998   0.000035
    30  C   -0.000050  -0.000267   0.000235  -0.003725  -0.004900  -0.000670
    31  H    0.000000   0.000000   0.000000   0.000231   0.000046   0.000000
    32  H    0.000000   0.000004   0.000000  -0.000896  -0.000242   0.000008
    33  H    0.000000   0.000004   0.000001   0.000282   0.001750   0.000010
    34  C    0.000039  -0.002787   0.000351  -0.000756  -0.003279   0.000352
    35  H    0.000000  -0.000001   0.000000   0.000074   0.000000   0.000000
    36  H    0.000000   0.000008   0.000000   0.000063   0.000001   0.000000
    37  H    0.000000   0.000002   0.000000  -0.000101   0.000000   0.000000
    38  C    0.000271   0.000146  -0.000012  -0.005329   0.000105  -0.000103
    39  O    0.000065   0.000000   0.000003  -0.002255   0.000000   0.000004
    40  N   -0.000001  -0.000064  -0.000007   0.005679   0.000039  -0.000003
    41  H    0.000000   0.000000   0.000000  -0.000049   0.000000   0.000000
    42  C   -0.000907  -0.000381   0.000042  -0.004527  -0.000566   0.000128
    43  H    0.000174  -0.000159   0.000002  -0.000310   0.000002   0.000000
    44  H    0.000000   0.000008   0.000000   0.000031   0.000000   0.000000
    45  H    0.000006   0.000116   0.000002  -0.000106   0.000001   0.000000
    46  C   -0.000081  -0.000221   0.000028  -0.002900   0.000010  -0.000048
    47  H    0.000000   0.000000   0.000000  -0.000002   0.000000   0.000000
    48  H    0.000000   0.000001   0.000000  -0.000119   0.000000   0.000000
    49  H    0.000000   0.000000   0.000000   0.000014   0.000000   0.000000
              13         14         15         16         17         18
     1  Cs   0.004380  -0.116047   0.014131   0.067112  -0.006850  -0.059361
     2  C   -0.005187  -0.004661  -0.000026  -0.001285  -0.000003   0.004604
     3  O    0.000323  -0.000778   0.000004  -0.001365  -0.000001   0.000715
     4  N   -0.031501   0.003192  -0.000082   0.002102  -0.000008  -0.001150
     5  H   -0.000125   0.000008   0.000000  -0.000010   0.000000  -0.000114
     6  C   -0.007176  -0.001601  -0.000105   0.001554  -0.000025  -0.001312
     7  H   -0.000061   0.000001   0.000000  -0.000001   0.000000  -0.000011
     8  H   -0.000730  -0.000092   0.000000   0.000011   0.000000  -0.000027
     9  H    0.003027   0.000007   0.000000   0.000000   0.000000   0.000005
    10  C    0.380496  -0.000729   0.000328  -0.005382   0.000029   0.000764
    11  H   -0.029109   0.000105   0.000001   0.000040   0.000000  -0.000139
    12  H   -0.019882  -0.000198   0.000000  -0.000231   0.000000   0.000094
    13  H    0.457266   0.000013   0.000000   0.000002   0.000000   0.000012
    14  C    0.000013   5.341207   0.473779   0.009433   0.440629  -0.162220
    15  O    0.000000   0.473779   8.235784  -0.218699  -0.042292  -0.006297
    16  N    0.000002   0.009433  -0.218699   7.640334  -0.174230  -0.023168
    17  H    0.000000   0.440629  -0.042292  -0.174230   0.566488   0.009894
    18  C    0.000012  -0.162220  -0.006297  -0.023168   0.009894   5.791486
    19  H    0.000000  -0.005239   0.001237  -0.068914  -0.000066   0.415455
    20  H    0.000000  -0.003042  -0.000326  -0.028868  -0.000159   0.374395
    21  H    0.000000   0.000508   0.010124  -0.067265   0.000264   0.402116
    22  C   -0.000021  -0.008262   0.027975   0.019552   0.003311  -0.125379
    23  H    0.000000  -0.006046  -0.000942  -0.038287  -0.000127  -0.015164
    24  H    0.000000  -0.006990   0.000137  -0.059192  -0.000009   0.014382
    25  H    0.000000   0.005375   0.002203  -0.075435   0.007438   0.002647
    26  C   -0.001067  -0.002754  -0.001233   0.004974   0.000188  -0.004268
    27  O    0.000036   0.000116  -0.000005  -0.000032  -0.000001  -0.000054
    28  N    0.000153   0.014004   0.000719  -0.005816   0.000109   0.003100
    29  H    0.000067  -0.000086  -0.000001   0.000005   0.000000  -0.000026
    30  C    0.000100  -0.023586  -0.008245   0.016611  -0.001311  -0.004095
    31  H    0.000000  -0.001035   0.000160   0.000004   0.000040   0.000159
    32  H    0.000001   0.007142  -0.002029  -0.001507   0.002066  -0.002248
    33  H    0.000019  -0.000152  -0.000003   0.000031   0.000011   0.000029
    34  C    0.000153   0.012766  -0.004784  -0.007976   0.000671   0.001810
    35  H    0.000000  -0.000193   0.000339  -0.000021   0.000002   0.000034
    36  H    0.000000  -0.003330   0.000271   0.000304  -0.000001   0.000260
    37  H    0.000000   0.016064   0.001358  -0.002613  -0.000420  -0.001219
    38  C    0.000007   0.006325  -0.005692   0.001863  -0.000363  -0.014524
    39  O    0.000000   0.000838   0.000121   0.000191   0.000001  -0.005584
    40  N   -0.000003  -0.008726  -0.000803  -0.003027   0.000009   0.014425
    41  H    0.000000   0.000991  -0.000110   0.000577   0.000000  -0.000557
    42  C    0.000052  -0.005498  -0.000548   0.006558  -0.000009  -0.003553
    43  H    0.000000   0.000140   0.000000  -0.000008   0.000000  -0.000103
    44  H    0.000000   0.000007   0.000000  -0.000004   0.000000   0.000055
    45  H    0.000000  -0.000403   0.000012   0.000050   0.000000  -0.000026
    46  C    0.000007   0.011856   0.005764  -0.000276   0.000324  -0.001547
    47  H    0.000000  -0.000235  -0.000177   0.000190   0.000000   0.000048
    48  H    0.000000  -0.000167   0.000024  -0.000150   0.000000  -0.000416
    49  H    0.000000   0.000030  -0.000001  -0.000009   0.000000   0.000097
              19         20         21         22         23         24
     1  Cs  -0.003715   0.004355  -0.004959  -0.073923   0.005462  -0.009410
     2  C    0.000737   0.000001  -0.000221   0.002924  -0.000098   0.002969
     3  O   -0.000058   0.000000   0.000002   0.000744   0.000005   0.000833
     4  N   -0.000133   0.000002   0.000014  -0.002214   0.000031  -0.001129
     5  H    0.000000   0.000000   0.000000   0.000200   0.000000   0.000002
     6  C   -0.000064   0.000006  -0.000011  -0.000866   0.000024  -0.000280
     7  H    0.000000   0.000000   0.000000   0.000004   0.000000   0.000000
     8  H    0.000000   0.000000   0.000000  -0.000065   0.000000   0.000000
     9  H    0.000000   0.000000   0.000000   0.000009   0.000000   0.000000
    10  C   -0.000097  -0.000006   0.000063   0.006130  -0.000174   0.000879
    11  H    0.000000   0.000000   0.000000  -0.000480   0.000000   0.000000
    12  H    0.000000   0.000000   0.000000   0.000810   0.000000   0.000091
    13  H    0.000000   0.000000   0.000000  -0.000021   0.000000   0.000000
    14  C   -0.005239  -0.003042   0.000508  -0.008262  -0.006046  -0.006990
    15  O    0.001237  -0.000326   0.010124   0.027975  -0.000942   0.000137
    16  N   -0.068914  -0.028868  -0.067265   0.019552  -0.038287  -0.059192
    17  H   -0.000066  -0.000159   0.000264   0.003311  -0.000127  -0.000009
    18  C    0.415455   0.374395   0.402116  -0.125379  -0.015164   0.014382
    19  H    0.469285  -0.028179  -0.026060  -0.003313  -0.001495   0.005582
    20  H   -0.028179   0.459643  -0.020463  -0.006774   0.002658  -0.000788
    21  H   -0.026060  -0.020463   0.445007   0.003436  -0.000090   0.000173
    22  C   -0.003313  -0.006774   0.003436   5.567182   0.391264   0.389146
    23  H   -0.001495   0.002658  -0.000090   0.391264   0.475179  -0.035780
    24  H    0.005582  -0.000788   0.000173   0.389146  -0.035780   0.485518
    25  H    0.000211  -0.000099  -0.000151   0.407307  -0.020604  -0.023847
    26  C   -0.000012   0.000006  -0.000062  -0.001845   0.000013  -0.000064
    27  O    0.000000   0.000000   0.000001   0.000185   0.000000   0.000000
    28  N    0.000007  -0.000006   0.000004  -0.002130  -0.000009   0.000086
    29  H    0.000000   0.000000   0.000000   0.000081   0.000000   0.000000
    30  C   -0.000036   0.000057  -0.000128   0.006078   0.000079  -0.000792
    31  H    0.000000   0.000000   0.000000  -0.000395   0.000000   0.000000
    32  H    0.000001   0.000000   0.000001   0.003413   0.000000  -0.000009
    33  H    0.000000   0.000000   0.000000  -0.000193   0.000000   0.000000
    34  C    0.000150  -0.000021  -0.000210  -0.001047  -0.000040   0.000310
    35  H    0.000000   0.000000   0.000000  -0.000017   0.000000   0.000000
    36  H    0.000000   0.000000   0.000001   0.000106   0.000000   0.000000
    37  H    0.000002   0.000000   0.000002  -0.000307   0.000000   0.000002
    38  C   -0.002347   0.000254  -0.000546  -0.004966   0.000114  -0.000874
    39  O    0.000292   0.000007  -0.000083  -0.001208   0.000000  -0.000001
    40  N   -0.000011  -0.000020  -0.001019   0.006023  -0.000006   0.000077
    41  H   -0.000047   0.000015   0.000336  -0.000135   0.000000   0.000000
    42  C    0.000040   0.000074  -0.000831  -0.004277   0.000016  -0.000084
    43  H    0.000001   0.000000   0.000000  -0.000032   0.000000   0.000000
    44  H    0.000000   0.000000   0.000000   0.000012   0.000000   0.000000
    45  H    0.000000   0.000000   0.000000  -0.000071   0.000000   0.000000
    46  C   -0.000445   0.000074   0.003097  -0.003440   0.000023  -0.000055
    47  H   -0.000004   0.000001   0.000195  -0.000036   0.000000   0.000000
    48  H    0.000001   0.000000  -0.000041  -0.000584   0.000000   0.000000
    49  H    0.000000   0.000000   0.000000   0.000047   0.000000   0.000000
              25         26         27         28         29         30
     1  Cs  -0.004452  -0.074140   0.013933   0.027811  -0.005482  -0.048863
     2  C   -0.000206  -0.002603  -0.001330   0.009536   0.000651  -0.007722
     3  O   -0.000003  -0.000031  -0.000011  -0.000083   0.000001  -0.000541
     4  N   -0.000019   0.002756  -0.000856  -0.003692   0.002268  -0.000511
     5  H    0.000000   0.000009  -0.000003  -0.000007   0.000000  -0.000056
     6  C   -0.000037   0.016350  -0.005744  -0.004793   0.000163  -0.000806
     7  H    0.000000   0.000198   0.000038  -0.000027   0.000008  -0.000050
     8  H    0.000000   0.022353  -0.000723  -0.004927  -0.000653  -0.000267
     9  H    0.000000  -0.005400   0.000566   0.000499   0.000082   0.000235
    10  C    0.000083  -0.013822  -0.000937   0.010620  -0.006144  -0.003725
    11  H    0.000001   0.016817  -0.001090  -0.002007   0.002998  -0.004900
    12  H    0.000003  -0.001746   0.000014   0.000174   0.000035  -0.000670
    13  H    0.000000  -0.001067   0.000036   0.000153   0.000067   0.000100
    14  C    0.005375  -0.002754   0.000116   0.014004  -0.000086  -0.023586
    15  O    0.002203  -0.001233  -0.000005   0.000719  -0.000001  -0.008245
    16  N   -0.075435   0.004974  -0.000032  -0.005816   0.000005   0.016611
    17  H    0.007438   0.000188  -0.000001   0.000109   0.000000  -0.001311
    18  C    0.002647  -0.004268  -0.000054   0.003100  -0.000026  -0.004095
    19  H    0.000211  -0.000012   0.000000   0.000007   0.000000  -0.000036
    20  H   -0.000099   0.000006   0.000000  -0.000006   0.000000   0.000057
    21  H   -0.000151  -0.000062   0.000001   0.000004   0.000000  -0.000128
    22  C    0.407307  -0.001845   0.000185  -0.002130   0.000081   0.006078
    23  H   -0.020604   0.000013   0.000000  -0.000009   0.000000   0.000079
    24  H   -0.023847  -0.000064   0.000000   0.000086   0.000000  -0.000792
    25  H    0.458573   0.000047   0.000000  -0.000031   0.000000   0.000394
    26  C    0.000047   5.265816   0.469457   0.052002   0.444810  -0.019649
    27  O    0.000000   0.469457   8.235829  -0.212712  -0.043720   0.027311
    28  N   -0.000031   0.052002  -0.212712   7.642034  -0.174125  -0.004717
    29  H    0.000000   0.444810  -0.043720  -0.174125   0.570604  -0.001766
    30  C    0.000394  -0.019649   0.027311  -0.004717  -0.001766   5.611020
    31  H    0.000000  -0.004982  -0.001005  -0.040666  -0.000192   0.388139
    32  H    0.000129  -0.003155   0.000080  -0.054620   0.000026   0.392479
    33  H   -0.000001  -0.002708   0.002143  -0.071645   0.006792   0.403603
    34  C   -0.000208  -0.169711  -0.006366  -0.000738   0.011217  -0.120432
    35  H    0.000000  -0.003762  -0.000609  -0.028939  -0.000188  -0.008626
    36  H    0.000000  -0.012065   0.008175  -0.063484   0.000230   0.010187
    37  H   -0.000001   0.001688   0.001853  -0.059686  -0.000054  -0.010437
    38  C    0.000002  -0.000656  -0.000947   0.004990   0.000005  -0.003391
    39  O    0.000001   0.000058  -0.000003   0.000069   0.000000  -0.000232
    40  N   -0.000005  -0.006321   0.000063  -0.002221  -0.000008   0.003240
    41  H    0.000000   0.000020   0.000000  -0.000002   0.000000  -0.000028
    42  C   -0.000008   0.009582  -0.001743  -0.001393   0.000284   0.000197
    43  H    0.000000  -0.000353   0.000091  -0.000009   0.000001  -0.000107
    44  H    0.000000  -0.000291   0.000163  -0.000003   0.000000   0.000035
    45  H    0.000000   0.002925   0.000668  -0.000647   0.000018   0.000042
    46  C    0.000011   0.004197  -0.003068   0.004307  -0.000159  -0.004089
    47  H    0.000000  -0.000045   0.000003  -0.000034   0.000000  -0.000008
    48  H    0.000000  -0.001006  -0.000706  -0.001620  -0.000001  -0.000834
    49  H    0.000000   0.000156   0.000051   0.000079   0.000000   0.000065
              31         32         33         34         35         36
     1  Cs   0.003296  -0.007483  -0.002431  -0.040037   0.000673   0.002367
     2  C    0.000081  -0.000362  -0.000134  -0.005498   0.000014  -0.000030
     3  O    0.000000   0.000004   0.000000  -0.000023   0.000000   0.000000
     4  N   -0.000010   0.000182  -0.000181   0.005798  -0.000006   0.000002
     5  H    0.000000   0.000000   0.000000   0.000010   0.000000   0.000000
     6  C   -0.000068   0.000471  -0.000583  -0.003764  -0.000027  -0.000216
     7  H    0.000000   0.000000   0.000000   0.000039   0.000000   0.000000
     8  H    0.000000   0.000004   0.000004  -0.002787  -0.000001   0.000008
     9  H    0.000000   0.000000   0.000001   0.000351   0.000000   0.000000
    10  C    0.000231  -0.000896   0.000282  -0.000756   0.000074   0.000063
    11  H    0.000046  -0.000242   0.001750  -0.003279   0.000000   0.000001
    12  H    0.000000   0.000008   0.000010   0.000352   0.000000   0.000000
    13  H    0.000000   0.000001   0.000019   0.000153   0.000000   0.000000
    14  C   -0.001035   0.007142  -0.000152   0.012766  -0.000193  -0.003330
    15  O    0.000160  -0.002029  -0.000003  -0.004784   0.000339   0.000271
    16  N    0.000004  -0.001507   0.000031  -0.007976  -0.000021   0.000304
    17  H    0.000040   0.002066   0.000011   0.000671   0.000002  -0.000001
    18  C    0.000159  -0.002248   0.000029   0.001810   0.000034   0.000260
    19  H    0.000000   0.000001   0.000000   0.000150   0.000000   0.000000
    20  H    0.000000   0.000000   0.000000  -0.000021   0.000000   0.000000
    21  H    0.000000   0.000001   0.000000  -0.000210   0.000000   0.000001
    22  C   -0.000395   0.003413  -0.000193  -0.001047  -0.000017   0.000106
    23  H    0.000000   0.000000   0.000000  -0.000040   0.000000   0.000000
    24  H    0.000000  -0.000009   0.000000   0.000310   0.000000   0.000000
    25  H    0.000000   0.000129  -0.000001  -0.000208   0.000000   0.000000
    26  C   -0.004982  -0.003155  -0.002708  -0.169711  -0.003762  -0.012065
    27  O   -0.001005   0.000080   0.002143  -0.006366  -0.000609   0.008175
    28  N   -0.040666  -0.054620  -0.071645  -0.000738  -0.028939  -0.063484
    29  H   -0.000192   0.000026   0.006792   0.011217  -0.000188   0.000230
    30  C    0.388139   0.392479   0.403603  -0.120432  -0.008626   0.010187
    31  H    0.477859  -0.035159  -0.020648  -0.010081   0.002604  -0.000132
    32  H   -0.035159   0.481982  -0.024024  -0.000923  -0.000690   0.000258
    33  H   -0.020648  -0.024024   0.456424   0.008113  -0.000113  -0.000158
    34  C   -0.010081  -0.000923   0.008113   5.730428   0.378883   0.404035
    35  H    0.002604  -0.000690  -0.000113   0.378883   0.464667  -0.021993
    36  H   -0.000132   0.000258  -0.000158   0.404035  -0.021993   0.446413
    37  H   -0.001314   0.004647   0.000213   0.396072  -0.027576  -0.024818
    38  C    0.000005  -0.000025  -0.000017  -0.004951   0.000017  -0.000160
    39  O    0.000000  -0.000001   0.000000  -0.000386   0.000000   0.000002
    40  N   -0.000005   0.000060  -0.000011   0.008143  -0.000077   0.000191
    41  H    0.000000   0.000000   0.000000  -0.000123   0.000000   0.000000
    42  C    0.000019  -0.000138   0.000085  -0.000730   0.000118   0.001592
    43  H    0.000000   0.000000   0.000000  -0.000547   0.000000  -0.000001
    44  H    0.000000   0.000000   0.000000   0.000118   0.000000   0.000001
    45  H    0.000000   0.000001   0.000000   0.000923  -0.000001   0.000482
    46  C    0.000085  -0.000304   0.000000  -0.008447   0.000852  -0.005023
    47  H    0.000000   0.000000   0.000000   0.000245  -0.000001   0.000005
    48  H    0.000000   0.000002   0.000000   0.010054   0.000013   0.001350
    49  H    0.000000   0.000000   0.000000  -0.001336  -0.000001   0.000045
              37         38         39         40         41         42
     1  Cs  -0.004794  -0.093820   0.001077   0.060668  -0.006100  -0.066784
     2  C   -0.000091   0.006809   0.011451  -0.004264   0.000576  -0.000718
     3  O    0.000000  -0.002493  -0.001063   0.000327  -0.000011   0.000056
     4  N    0.000024   0.001012  -0.001626  -0.001513  -0.000007   0.002887
     5  H    0.000000   0.000225   0.000447   0.000074   0.000000  -0.000720
     6  C    0.000129  -0.000593  -0.005582   0.004927  -0.000230  -0.004547
     7  H    0.000000   0.000271   0.000065  -0.000001   0.000000  -0.000907
     8  H    0.000002   0.000146   0.000000  -0.000064   0.000000  -0.000381
     9  H    0.000000  -0.000012   0.000003  -0.000007   0.000000   0.000042
    10  C   -0.000101  -0.005329  -0.002255   0.005679  -0.000049  -0.004527
    11  H    0.000000   0.000105   0.000000   0.000039   0.000000  -0.000566
    12  H    0.000000  -0.000103   0.000004  -0.000003   0.000000   0.000128
    13  H    0.000000   0.000007   0.000000  -0.000003   0.000000   0.000052
    14  C    0.016064   0.006325   0.000838  -0.008726   0.000991  -0.005498
    15  O    0.001358  -0.005692   0.000121  -0.000803  -0.000110  -0.000548
    16  N   -0.002613   0.001863   0.000191  -0.003027   0.000577   0.006558
    17  H   -0.000420  -0.000363   0.000001   0.000009   0.000000  -0.000009
    18  C   -0.001219  -0.014524  -0.005584   0.014425  -0.000557  -0.003553
    19  H    0.000002  -0.002347   0.000292  -0.000011  -0.000047   0.000040
    20  H    0.000000   0.000254   0.000007  -0.000020   0.000015   0.000074
    21  H    0.000002  -0.000546  -0.000083  -0.001019   0.000336  -0.000831
    22  C   -0.000307  -0.004966  -0.001208   0.006023  -0.000135  -0.004277
    23  H    0.000000   0.000114   0.000000  -0.000006   0.000000   0.000016
    24  H    0.000002  -0.000874  -0.000001   0.000077   0.000000  -0.000084
    25  H   -0.000001   0.000002   0.000001  -0.000005   0.000000  -0.000008
    26  C    0.001688  -0.000656   0.000058  -0.006321   0.000020   0.009582
    27  O    0.001853  -0.000947  -0.000003   0.000063   0.000000  -0.001743
    28  N   -0.059686   0.004990   0.000069  -0.002221  -0.000002  -0.001393
    29  H   -0.000054   0.000005   0.000000  -0.000008   0.000000   0.000284
    30  C   -0.010437  -0.003391  -0.000232   0.003240  -0.000028   0.000197
    31  H   -0.001314   0.000005   0.000000  -0.000005   0.000000   0.000019
    32  H    0.004647  -0.000025  -0.000001   0.000060   0.000000  -0.000138
    33  H    0.000213  -0.000017   0.000000  -0.000011   0.000000   0.000085
    34  C    0.396072  -0.004951  -0.000386   0.008143  -0.000123  -0.000730
    35  H   -0.027576   0.000017   0.000000  -0.000077   0.000000   0.000118
    36  H   -0.024818  -0.000160   0.000002   0.000191   0.000000   0.001592
    37  H    0.464691   0.000342  -0.000002   0.000037   0.000000  -0.000694
    38  C    0.000342   5.237788   0.476809   0.038186   0.441091  -0.128772
    39  O   -0.000002   0.476809   8.250807  -0.220571  -0.042947  -0.015829
    40  N    0.000037   0.038186  -0.220571   7.616392  -0.172451  -0.013218
    41  H    0.000000   0.441091  -0.042947  -0.172451   0.565287   0.004334
    42  C   -0.000694  -0.128772  -0.015829  -0.013218   0.004334   5.769040
    43  H    0.000000  -0.011523   0.012594  -0.066735   0.000321   0.408985
    44  H    0.000000  -0.005799   0.000181  -0.028236  -0.000127   0.375222
    45  H    0.000001   0.005925   0.000853  -0.069713  -0.000091   0.402902
    46  C   -0.001502  -0.029304   0.036952   0.026633   0.008190  -0.117873
    47  H    0.000006   0.002441   0.002122  -0.071808   0.007139   0.003014
    48  H   -0.000301   0.005652   0.000248  -0.061221  -0.000130   0.005750
    49  H    0.000010  -0.011564  -0.000884  -0.039633  -0.000102  -0.009953
              43         44         45         46         47         48
     1  Cs  -0.001212   0.002880  -0.004089  -0.060589  -0.002734  -0.005112
     2  C    0.002126  -0.000015  -0.000054  -0.003133  -0.000001  -0.000028
     3  O   -0.000039   0.000000   0.000003  -0.000583   0.000000   0.000000
     4  N   -0.000726  -0.000026   0.000005   0.003880  -0.000001   0.000010
     5  H    0.000071   0.000000   0.000000  -0.000156   0.000000   0.000000
     6  C   -0.000883   0.000494  -0.002121  -0.001478  -0.000013  -0.000126
     7  H    0.000174   0.000000   0.000006  -0.000081   0.000000   0.000000
     8  H   -0.000159   0.000008   0.000116  -0.000221   0.000000   0.000001
     9  H    0.000002   0.000000   0.000002   0.000028   0.000000   0.000000
    10  C   -0.000310   0.000031  -0.000106  -0.002900  -0.000002  -0.000119
    11  H    0.000002   0.000000   0.000001   0.000010   0.000000   0.000000
    12  H    0.000000   0.000000   0.000000  -0.000048   0.000000   0.000000
    13  H    0.000000   0.000000   0.000000   0.000007   0.000000   0.000000
    14  C    0.000140   0.000007  -0.000403   0.011856  -0.000235  -0.000167
    15  O    0.000000   0.000000   0.000012   0.005764  -0.000177   0.000024
    16  N   -0.000008  -0.000004   0.000050  -0.000276   0.000190  -0.000150
    17  H    0.000000   0.000000   0.000000   0.000324   0.000000   0.000000
    18  C   -0.000103   0.000055  -0.000026  -0.001547   0.000048  -0.000416
    19  H    0.000001   0.000000   0.000000  -0.000445  -0.000004   0.000001
    20  H    0.000000   0.000000   0.000000   0.000074   0.000001   0.000000
    21  H    0.000000   0.000000   0.000000   0.003097   0.000195  -0.000041
    22  C   -0.000032   0.000012  -0.000071  -0.003440  -0.000036  -0.000584
    23  H    0.000000   0.000000   0.000000   0.000023   0.000000   0.000000
    24  H    0.000000   0.000000   0.000000  -0.000055   0.000000   0.000000
    25  H    0.000000   0.000000   0.000000   0.000011   0.000000   0.000000
    26  C   -0.000353  -0.000291   0.002925   0.004197  -0.000045  -0.001006
    27  O    0.000091   0.000163   0.000668  -0.003068   0.000003  -0.000706
    28  N   -0.000009  -0.000003  -0.000647   0.004307  -0.000034  -0.001620
    29  H    0.000001   0.000000   0.000018  -0.000159   0.000000  -0.000001
    30  C   -0.000107   0.000035   0.000042  -0.004089  -0.000008  -0.000834
    31  H    0.000000   0.000000   0.000000   0.000085   0.000000   0.000000
    32  H    0.000000   0.000000   0.000001  -0.000304   0.000000   0.000002
    33  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
    34  C   -0.000547   0.000118   0.000923  -0.008447   0.000245   0.010054
    35  H    0.000000   0.000000  -0.000001   0.000852  -0.000001   0.000013
    36  H   -0.000001   0.000001   0.000482  -0.005023   0.000005   0.001350
    37  H    0.000000   0.000000   0.000001  -0.001502   0.000006  -0.000301
    38  C   -0.011523  -0.005799   0.005925  -0.029304   0.002441   0.005652
    39  O    0.012594   0.000181   0.000853   0.036952   0.002122   0.000248
    40  N   -0.066735  -0.028236  -0.069713   0.026633  -0.071808  -0.061221
    41  H    0.000321  -0.000127  -0.000091   0.008190   0.007139  -0.000130
    42  C    0.408985   0.375222   0.402902  -0.117873   0.003014   0.005750
    43  H    0.443095  -0.020037  -0.026532   0.004206  -0.000152   0.000157
    44  H   -0.020037   0.457771  -0.027922  -0.004748  -0.000086  -0.000733
    45  H   -0.026532  -0.027922   0.469356  -0.005807   0.000199   0.005260
    46  C    0.004206  -0.004748  -0.005807   5.566434   0.406012   0.373327
    47  H   -0.000152  -0.000086   0.000199   0.406012   0.457089  -0.023499
    48  H    0.000157  -0.000733   0.005260   0.373327  -0.023499   0.487847
    49  H   -0.000053   0.002769  -0.001855   0.399138  -0.020579  -0.035994
              49
     1  Cs   0.003219
     2  C    0.000013
     3  O    0.000000
     4  N   -0.000003
     5  H    0.000000
     6  C    0.000052
     7  H    0.000000
     8  H    0.000000
     9  H    0.000000
    10  C    0.000014
    11  H    0.000000
    12  H    0.000000
    13  H    0.000000
    14  C    0.000030
    15  O   -0.000001
    16  N   -0.000009
    17  H    0.000000
    18  C    0.000097
    19  H    0.000000
    20  H    0.000000
    21  H    0.000000
    22  C    0.000047
    23  H    0.000000
    24  H    0.000000
    25  H    0.000000
    26  C    0.000156
    27  O    0.000051
    28  N    0.000079
    29  H    0.000000
    30  C    0.000065
    31  H    0.000000
    32  H    0.000000
    33  H    0.000000
    34  C   -0.001336
    35  H   -0.000001
    36  H    0.000045
    37  H    0.000010
    38  C   -0.011564
    39  O   -0.000884
    40  N   -0.039633
    41  H   -0.000102
    42  C   -0.009953
    43  H   -0.000053
    44  H    0.002769
    45  H   -0.001855
    46  C    0.399138
    47  H   -0.020579
    48  H   -0.035994
    49  H    0.474145
 Mulliken charges:
               1
     1  Cs   0.862636
     2  C    0.093086
     3  O   -0.508875
     4  N   -0.013552
     5  H    0.193840
     6  C   -0.608261
     7  H    0.240540
     8  H    0.248468
     9  H    0.242026
    10  C   -0.596823
    11  H    0.240274
    12  H    0.257845
    13  H    0.248749
    14  C    0.017535
    15  O   -0.482070
    16  N    0.012274
    17  H    0.194401
    18  C   -0.604022
    19  H    0.247235
    20  H    0.247202
    21  H    0.256798
    22  C   -0.593957
    23  H    0.243995
    24  H    0.239117
    25  H    0.240684
    26  C    0.019332
    27  O   -0.479113
    28  N   -0.029516
    29  H    0.192262
    30  C   -0.579253
    31  H    0.242962
    32  H    0.240859
    33  H    0.243489
    34  C   -0.575436
    35  H    0.244549
    36  H    0.255062
    37  H    0.248788
    38  C    0.098389
    39  O   -0.496938
    40  N   -0.013493
    41  H    0.194369
    42  C   -0.606679
    43  H    0.257556
    44  H    0.248279
    45  H    0.249686
    46  C   -0.600128
    47  H    0.240703
    48  H    0.243090
    49  H    0.242035
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Cs   0.862636
     2  C    0.286927
     3  O   -0.508875
     4  N   -0.013552
     6  C    0.122773
    10  C    0.150045
    14  C    0.211935
    15  O   -0.482070
    16  N    0.012274
    18  C    0.147212
    22  C    0.129839
    26  C    0.211594
    27  O   -0.479113
    28  N   -0.029516
    30  C    0.148057
    34  C    0.172963
    38  C    0.292759
    39  O   -0.496938
    40  N   -0.013493
    42  C    0.148841
    46  C    0.125701
 Electronic spatial extent (au):  <R**2>=          11598.5801
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.1004    Y=             -6.3277    Z=              8.4324  Tot=             10.9890
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -144.8620   YY=           -130.1493   ZZ=           -138.6915
   XY=              7.9238   XZ=            -29.6500   YZ=             -1.6448
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.9611   YY=              7.7516   ZZ=             -0.7906
   XY=              7.9238   XZ=            -29.6500   YZ=             -1.6448
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            747.7955  YYY=            187.2750  ZZZ=           -731.1842  XYY=            211.1538
  XXY=            -38.1108  XXZ=           -187.1089  XZZ=            177.3394  YZZ=            132.9487
  YYZ=           -326.9210  XYZ=            -45.9440
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6061.3533 YYYY=          -3653.0609 ZZZZ=          -5933.2942 XXXY=             66.4015
 XXXZ=           1083.9864 YYYX=           -423.6610 YYYZ=            787.0682 ZZZX=           1004.9371
 ZZZY=            941.4718 XXYY=          -1540.1098 XXZZ=          -1778.1211 YYZZ=          -1996.7458
 XXYZ=            102.5169 YYXZ=            587.4619 ZZXY=           -485.8444
 N-N= 1.851249356834D+03 E-N=-6.034026652343D+03  KE= 9.923516057845D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Nov 14 06:06:25 2016, MaxMem=  2952790016 cpu:         4.5
 (Enter /mnt/data/applications/G09/g09/l9999.exe)
 1\1\GINC-KIMIK2168\FOpt\RB97D\Gen\C12H28Cs1N4O4(1+)\RKUNIYIL\14-Nov-20
 16\0\\#p opt nosymm freq=noraman scrf=(solvent=n,n-DiMethylFormamide,s
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 .0545800158,4.7645256591\H,-3.1597032646,1.1213948482,5.7885880361\\Ve
 rsion=EM64L-G09RevD.01\HF=-1013.4514799\RMSD=5.134e-09\RMSF=1.557e-05\
 Dipole=1.8028954,-1.5910209,-0.1505924\Quadrupole=-5.1753734,5.7631286
 ,-0.5877552,5.8911883,-22.0440204,-1.2228738\PG=C01 [X(C12H28Cs1N4O4)]
 \\@


 THE DIFFERENCE BETWEEN A NOOSE AND A HALO IS ONLY 12 INCHES.
 Leave Link 9999 at Mon Nov 14 06:06:25 2016, MaxMem=  2952790016 cpu:         0.5
 Job cpu time:       2 days 19 hours 26 minutes 47.9 seconds.
 File lengths (MBytes):  RWF=    662 Int=      0 D2E=      0 Chk=     29 Scr=      1
 Normal termination of Gaussian 09 at Mon Nov 14 06:06:25 2016.
 (Enter /mnt/data/applications/G09/g09/l1.exe)
 Link1:  Proceeding to internal job step number  2.
 -----------------------------------------------------------------
 #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB97D/ChkBas Freq
 -----------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1/1,3;
 2/12=2,15=1,40=1/2;
 3/5=7,6=2,11=2,14=-4,16=1,17=8,25=1,30=1,67=1,70=2,71=2,72=148,74=-42,82=7,116=1,140=1/1,2,3;
 4/5=101/1;
 5/5=2,53=148,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10;
 10/6=1,31=1/2;
 6/7=2,8=2,9=2,10=2,18=1,28=1/1;
 7/8=1,10=1,25=1,30=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Leave Link    1 at Mon Nov 14 06:06:25 2016, MaxMem=  2952790016 cpu:         1.0
 (Enter /mnt/data/applications/G09/g09/l101.exe)
 Structure from the checkpoint file:  "/scratch/Gau-3176.chk"
 ---
 opt
 ---
 Charge =  1 Multiplicity = 1
 Redundant internal coordinates found in file.
 Cs,0,-1.7832137135,-0.5765344216,1.6296727218
 C,0,-2.040528744,1.1084013503,-1.4099991529
 O,0,-2.5578038789,0.1197540738,-1.9582177678
 N,0,-0.7538940863,1.1879070899,-0.9728944171
 H,0,-2.617107434,2.031187913,-1.1983398193
 C,0,-0.2655668023,2.3549587284,-0.2375033144
 H,0,-1.0385895061,3.1360475419,-0.2297545547
 H,0,-0.022620086,2.0709109063,0.7993567997
 H,0,0.6445707271,2.747016471,-0.7195607181
 C,0,0.1896289075,0.0803277231,-1.1417711116
 H,0,0.7289672322,-0.0858033991,-0.1960439284
 H,0,-0.3613018942,-0.8295733078,-1.4130189005
 H,0,0.924081318,0.3184741428,-1.9287302985
 C,0,-2.0844804556,-3.9381930289,2.6939381674
 O,0,-2.2328383948,-3.7390600761,3.9116994469
 N,0,-2.9922844249,-3.6340286675,1.726923276
 H,0,-1.1551042263,-4.3765794322,2.2787915682
 C,0,-4.2799204332,-3.0120835618,2.0483532991
 H,0,-4.5040009312,-2.2452387299,1.2904726467
 H,0,-5.0872264018,-3.763381985,2.0402355107
 H,0,-4.2214722966,-2.5460574329,3.0401202684
 C,0,-2.714438107,-3.8735205966,0.3102791413
 H,0,-3.4275652921,-4.6065410082,-0.1013598298
 H,0,-2.8190746079,-2.930289995,-0.2512518592
 H,0,-1.6899523198,-4.2534507741,0.1930044612
 C,0,1.6103292325,0.3608586436,2.5742970206
 O,0,1.4636219282,1.3894282756,3.2557622295
 N,0,1.2065727187,-0.8885032074,2.9331770796
 H,0,2.087924713,0.3805574548,1.574851422
 C,0,1.4818318248,-2.056254713,2.0945601583
 H,0,2.2330242678,-2.7059944016,2.5744173412
 H,0,0.5572546132,-2.6400271257,1.9552481235
 H,0,1.8525366583,-1.7255248783,1.1144646896
 C,0,0.5594604763,-1.1347558857,4.224289694
 H,0,1.3010061259,-1.4393147693,4.982551151
 H,0,0.0536972795,-0.2195018812,4.5569590579
 H,0,-0.177435123,-1.9419122554,4.1059289277
 C,0,-4.6021371151,0.9741783562,2.9117713229
 O,0,-4.8552109164,1.5265323549,1.8270899671
 N,0,-3.5450594915,1.2669196216,3.7178974983
 H,0,-5.2251877427,0.1489781095,3.3107858542
 C,0,-2.5800067023,2.3158778746,3.375253018
 H,0,-2.6842274532,2.5784416891,2.3145816674
 H,0,-2.7480116425,3.2113708697,3.9957791018
 H,0,-1.5617139823,1.9422054902,3.5642323189
 C,0,-3.23976813,0.4678074516,4.9051598156
 H,0,-4.034564258,-0.2727007501,5.0693239605
 H,0,-2.277729035,-0.0545800158,4.7645256591
 H,0,-3.1597032646,1.1213948482,5.7885880361
 Recover connectivity data from disk.
 NAtoms=     49 NQM=       49 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=         133          12          16          14           1          12           1           1           1          12
 AtmWgt= 132.9054290  12.0000000  15.9949146  14.0030740   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           0           2           1           0           1           1           1           0
 AtZEff=   0.0000000  -3.6000000  -5.6000000  -4.5500000  -1.0000000  -3.6000000  -1.0000000  -1.0000000  -1.0000000  -3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=  55.0000000   6.0000000   8.0000000   7.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12          16          14           1          12           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000  15.9949146  14.0030740   1.0078250  12.0000000   1.0078250   1.0078250
 NucSpn=           1           1           1           0           0           2           1           0           1           1
 AtZEff=  -1.0000000  -1.0000000  -1.0000000  -3.6000000  -5.6000000  -4.5500000  -1.0000000  -3.6000000  -1.0000000  -1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.4037610   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   8.0000000   7.0000000   1.0000000   6.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1          12           1           1           1          12          16          14           1          12
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  15.9949146  14.0030740   1.0078250  12.0000000
 NucSpn=           1           0           1           1           1           0           0           2           1           0
 AtZEff=  -1.0000000  -3.6000000  -1.0000000  -1.0000000  -1.0000000  -3.6000000  -5.6000000  -4.5500000  -1.0000000  -3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.4037610   2.7928460   0.0000000
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   8.0000000   7.0000000   1.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1          12           1           1           1          12          16          14
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  15.9949146  14.0030740
 NucSpn=           1           1           1           0           1           1           1           0           0           2
 AtZEff=  -1.0000000  -1.0000000  -1.0000000  -3.6000000  -1.0000000  -1.0000000  -1.0000000  -3.6000000  -5.6000000  -4.5500000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.4037610
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   8.0000000   7.0000000

  Atom        41          42          43          44          45          46          47          48          49
 IAtWgt=           1          12           1           1           1          12           1           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           1           1           1           0           1           1           1
 AtZEff=  -1.0000000  -3.6000000  -1.0000000  -1.0000000  -1.0000000  -3.6000000  -1.0000000  -1.0000000  -1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Leave Link  101 at Mon Nov 14 06:06:26 2016, MaxMem=  2952790016 cpu:         7.8
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  3.4849         calculate D2E/DX2 analytically  !
 ! R2    R(1,4)                  3.3085         calculate D2E/DX2 analytically  !
 ! R3    R(1,6)                  3.7925         calculate D2E/DX2 analytically  !
 ! R4    R(1,8)                  3.286          calculate D2E/DX2 analytically  !
 ! R5    R(1,10)                 3.4647         calculate D2E/DX2 analytically  !
 ! R6    R(1,11)                 3.1441         calculate D2E/DX2 analytically  !
 ! R7    R(1,14)                 3.539          calculate D2E/DX2 analytically  !
 ! R8    R(1,16)                 3.2893         calculate D2E/DX2 analytically  !
 ! R9    R(1,18)                 3.5129         calculate D2E/DX2 analytically  !
 ! R10   R(1,19)                 3.2097         calculate D2E/DX2 analytically  !
 ! R11   R(1,22)                 3.6713         calculate D2E/DX2 analytically  !
 ! R12   R(1,24)                 3.1861         calculate D2E/DX2 analytically  !
 ! R13   R(1,26)                 3.6452         calculate D2E/DX2 analytically  !
 ! R14   R(1,28)                 3.2765         calculate D2E/DX2 analytically  !
 ! R15   R(1,30)                 3.6147         calculate D2E/DX2 analytically  !
 ! R16   R(1,32)                 3.1372         calculate D2E/DX2 analytically  !
 ! R17   R(1,34)                 3.54           calculate D2E/DX2 analytically  !
 ! R18   R(1,38)                 3.4634         calculate D2E/DX2 analytically  !
 ! R19   R(1,40)                 3.2959         calculate D2E/DX2 analytically  !
 ! R20   R(1,42)                 3.471          calculate D2E/DX2 analytically  !
 ! R21   R(1,45)                 3.1837         calculate D2E/DX2 analytically  !
 ! R22   R(1,46)                 3.7338         calculate D2E/DX2 analytically  !
 ! R23   R(1,48)                 3.2163         calculate D2E/DX2 analytically  !
 ! R24   R(2,3)                  1.2432         calculate D2E/DX2 analytically  !
 ! R25   R(2,4)                  1.3612         calculate D2E/DX2 analytically  !
 ! R26   R(2,5)                  1.1085         calculate D2E/DX2 analytically  !
 ! R27   R(4,6)                  1.4633         calculate D2E/DX2 analytically  !
 ! R28   R(4,10)                 1.4647         calculate D2E/DX2 analytically  !
 ! R29   R(6,7)                  1.099          calculate D2E/DX2 analytically  !
 ! R30   R(6,8)                  1.1022         calculate D2E/DX2 analytically  !
 ! R31   R(6,9)                  1.102          calculate D2E/DX2 analytically  !
 ! R32   R(10,11)                1.1013         calculate D2E/DX2 analytically  !
 ! R33   R(10,12)                1.0977         calculate D2E/DX2 analytically  !
 ! R34   R(10,13)                1.1025         calculate D2E/DX2 analytically  !
 ! R35   R(14,15)                1.2428         calculate D2E/DX2 analytically  !
 ! R36   R(14,16)                1.3608         calculate D2E/DX2 analytically  !
 ! R37   R(14,17)                1.1083         calculate D2E/DX2 analytically  !
 ! R38   R(16,18)                1.4657         calculate D2E/DX2 analytically  !
 ! R39   R(16,22)                1.4634         calculate D2E/DX2 analytically  !
 ! R40   R(18,19)                1.1012         calculate D2E/DX2 analytically  !
 ! R41   R(18,20)                1.1028         calculate D2E/DX2 analytically  !
 ! R42   R(18,21)                1.0974         calculate D2E/DX2 analytically  !
 ! R43   R(22,23)                1.1024         calculate D2E/DX2 analytically  !
 ! R44   R(22,24)                1.1027         calculate D2E/DX2 analytically  !
 ! R45   R(22,25)                1.0989         calculate D2E/DX2 analytically  !
 ! R46   R(26,27)                1.2425         calculate D2E/DX2 analytically  !
 ! R47   R(26,28)                1.3611         calculate D2E/DX2 analytically  !
 ! R48   R(26,29)                1.1079         calculate D2E/DX2 analytically  !
 ! R49   R(28,30)                1.4638         calculate D2E/DX2 analytically  !
 ! R50   R(28,34)                1.465          calculate D2E/DX2 analytically  !
 ! R51   R(30,31)                1.103          calculate D2E/DX2 analytically  !
 ! R52   R(30,32)                1.1023         calculate D2E/DX2 analytically  !
 ! R53   R(30,33)                1.0988         calculate D2E/DX2 analytically  !
 ! R54   R(34,35)                1.1035         calculate D2E/DX2 analytically  !
 ! R55   R(34,36)                1.0973         calculate D2E/DX2 analytically  !
 ! R56   R(34,37)                1.0993         calculate D2E/DX2 analytically  !
 ! R57   R(38,39)                1.2433         calculate D2E/DX2 analytically  !
 ! R58   R(38,40)                1.3612         calculate D2E/DX2 analytically  !
 ! R59   R(38,41)                1.1083         calculate D2E/DX2 analytically  !
 ! R60   R(40,42)                1.466          calculate D2E/DX2 analytically  !
 ! R61   R(40,46)                1.4633         calculate D2E/DX2 analytically  !
 ! R62   R(42,43)                1.0976         calculate D2E/DX2 analytically  !
 ! R63   R(42,44)                1.1024         calculate D2E/DX2 analytically  !
 ! R64   R(42,45)                1.101          calculate D2E/DX2 analytically  !
 ! R65   R(46,47)                1.0986         calculate D2E/DX2 analytically  !
 ! R66   R(46,48)                1.1037         calculate D2E/DX2 analytically  !
 ! R67   R(46,49)                1.1018         calculate D2E/DX2 analytically  !
 ! A1    A(2,1,6)               39.3217         calculate D2E/DX2 analytically  !
 ! A2    A(2,1,8)               55.2243         calculate D2E/DX2 analytically  !
 ! A3    A(2,1,10)              41.6417         calculate D2E/DX2 analytically  !
 ! A4    A(2,1,11)              58.469          calculate D2E/DX2 analytically  !
 ! A5    A(2,1,14)             135.6668         calculate D2E/DX2 analytically  !
 ! A6    A(2,1,16)             116.6195         calculate D2E/DX2 analytically  !
 ! A7    A(2,1,18)             112.7484         calculate D2E/DX2 analytically  !
 ! A8    A(2,1,19)              95.5432         calculate D2E/DX2 analytically  !
 ! A9    A(2,1,22)              95.8547         calculate D2E/DX2 analytically  !
 ! A10   A(2,1,24)              79.5283         calculate D2E/DX2 analytically  !
 ! A11   A(2,1,26)              99.8133         calculate D2E/DX2 analytically  !
 ! A12   A(2,1,28)             117.414          calculate D2E/DX2 analytically  !
 ! A13   A(2,1,30)             112.1351         calculate D2E/DX2 analytically  !
 ! A14   A(2,1,32)             117.6213         calculate D2E/DX2 analytically  !
 ! A15   A(2,1,34)             139.8531         calculate D2E/DX2 analytically  !
 ! A16   A(2,1,38)              92.6544         calculate D2E/DX2 analytically  !
 ! A17   A(2,1,40)             104.048          calculate D2E/DX2 analytically  !
 ! A18   A(2,1,42)              91.0773         calculate D2E/DX2 analytically  !
 ! A19   A(2,1,45)              98.7799         calculate D2E/DX2 analytically  !
 ! A20   A(2,1,46)             126.9513         calculate D2E/DX2 analytically  !
 ! A21   A(2,1,48)             139.494          calculate D2E/DX2 analytically  !
 ! A22   A(4,1,8)               37.3333         calculate D2E/DX2 analytically  !
 ! A23   A(4,1,11)              37.9437         calculate D2E/DX2 analytically  !
 ! A24   A(4,1,14)             140.3214         calculate D2E/DX2 analytically  !
 ! A25   A(4,1,16)             129.2967         calculate D2E/DX2 analytically  !
 ! A26   A(4,1,18)             133.2052         calculate D2E/DX2 analytically  !
 ! A27   A(4,1,19)             117.2487         calculate D2E/DX2 analytically  !
 ! A28   A(4,1,22)             105.971          calculate D2E/DX2 analytically  !
 ! A29   A(4,1,24)              91.7617         calculate D2E/DX2 analytically  !
 ! A30   A(4,1,26)              77.1186         calculate D2E/DX2 analytically  !
 ! A31   A(4,1,28)              94.5793         calculate D2E/DX2 analytically  !
 ! A32   A(4,1,30)              92.2044         calculate D2E/DX2 analytically  !
 ! A33   A(4,1,32)             101.5555         calculate D2E/DX2 analytically  !
 ! A34   A(4,1,34)             117.0497         calculate D2E/DX2 analytically  !
 ! A35   A(4,1,38)             107.7967         calculate D2E/DX2 analytically  !
 ! A36   A(4,1,40)             111.4947         calculate D2E/DX2 analytically  !
 ! A37   A(4,1,42)              91.2956         calculate D2E/DX2 analytically  !
 ! A38   A(4,1,45)              91.9731         calculate D2E/DX2 analytically  !
 ! A39   A(4,1,46)             131.4741         calculate D2E/DX2 analytically  !
 ! A40   A(4,1,48)             136.7199         calculate D2E/DX2 analytically  !
 ! A41   A(6,1,10)              39.8063         calculate D2E/DX2 analytically  !
 ! A42   A(6,1,11)              43.4245         calculate D2E/DX2 analytically  !
 ! A43   A(6,1,14)             156.4005         calculate D2E/DX2 analytically  !
 ! A44   A(6,1,16)             151.659          calculate D2E/DX2 analytically  !
 ! A45   A(6,1,18)             151.5204         calculate D2E/DX2 analytically  !
 ! A46   A(6,1,19)             133.5541         calculate D2E/DX2 analytically  !
 ! A47   A(6,1,22)             128.2237         calculate D2E/DX2 analytically  !
 ! A48   A(6,1,24)             114.2357         calculate D2E/DX2 analytically  !
 ! A49   A(6,1,26)              63.6574         calculate D2E/DX2 analytically  !
 ! A50   A(6,1,28)              84.5091         calculate D2E/DX2 analytically  !
 ! A51   A(6,1,30)              91.0476         calculate D2E/DX2 analytically  !
 ! A52   A(6,1,32)             105.1279         calculate D2E/DX2 analytically  !
 ! A53   A(6,1,34)             102.5867         calculate D2E/DX2 analytically  !
 ! A54   A(6,1,38)              99.3154         calculate D2E/DX2 analytically  !
 ! A55   A(6,1,40)              95.3656         calculate D2E/DX2 analytically  !
 ! A56   A(6,1,42)              72.2623         calculate D2E/DX2 analytically  !
 ! A57   A(6,1,45)              70.1106         calculate D2E/DX2 analytically  !
 ! A58   A(6,1,46)             111.8272         calculate D2E/DX2 analytically  !
 ! A59   A(6,1,48)             114.5795         calculate D2E/DX2 analytically  !
 ! A60   A(8,1,10)              48.7052         calculate D2E/DX2 analytically  !
 ! A61   A(8,1,11)              45.5266         calculate D2E/DX2 analytically  !
 ! A62   A(8,1,14)             152.4863         calculate D2E/DX2 analytically  !
 ! A63   A(8,1,16)             162.4194         calculate D2E/DX2 analytically  !
 ! A64   A(8,1,19)             147.8135         calculate D2E/DX2 analytically  !
 ! A65   A(8,1,22)             140.2304         calculate D2E/DX2 analytically  !
 ! A66   A(8,1,24)             128.332          calculate D2E/DX2 analytically  !
 ! A67   A(8,1,26)              50.1708         calculate D2E/DX2 analytically  !
 ! A68   A(8,1,28)              71.8405         calculate D2E/DX2 analytically  !
 ! A69   A(8,1,30)              83.0128         calculate D2E/DX2 analytically  !
 ! A70   A(8,1,32)              99.0002         calculate D2E/DX2 analytically  !
 ! A71   A(8,1,34)              87.5746         calculate D2E/DX2 analytically  !
 ! A72   A(8,1,38)              99.7233         calculate D2E/DX2 analytically  !
 ! A73   A(8,1,40)              89.7637         calculate D2E/DX2 analytically  !
 ! A74   A(8,1,42)              65.0834         calculate D2E/DX2 analytically  !
 ! A75   A(8,1,45)              58.5917         calculate D2E/DX2 analytically  !
 ! A76   A(8,1,46)             101.8488         calculate D2E/DX2 analytically  !
 ! A77   A(8,1,48)             101.4151         calculate D2E/DX2 analytically  !
 ! A78   A(10,1,14)            117.9767         calculate D2E/DX2 analytically  !
 ! A79   A(10,1,16)            114.1528         calculate D2E/DX2 analytically  !
 ! A80   A(10,1,18)            129.1579         calculate D2E/DX2 analytically  !
 ! A81   A(10,1,19)            119.7818         calculate D2E/DX2 analytically  !
 ! A82   A(10,1,22)             91.5596         calculate D2E/DX2 analytically  !
 ! A83   A(10,1,24)             81.5444         calculate D2E/DX2 analytically  !
 ! A84   A(10,1,26)             68.1879         calculate D2E/DX2 analytically  !
 ! A85   A(10,1,28)             79.4379         calculate D2E/DX2 analytically  !
 ! A86   A(10,1,30)             70.498          calculate D2E/DX2 analytically  !
 ! A87   A(10,1,32)             77.462          calculate D2E/DX2 analytically  !
 ! A88   A(10,1,34)            103.8486         calculate D2E/DX2 analytically  !
 ! A89   A(10,1,38)            132.4295         calculate D2E/DX2 analytically  !
 ! A90   A(10,1,40)            134.8407         calculate D2E/DX2 analytically  !
 ! A91   A(10,1,42)            112.0242         calculate D2E/DX2 analytically  !
 ! A92   A(10,1,45)            107.2449         calculate D2E/DX2 analytically  !
 ! A93   A(10,1,46)            150.5539         calculate D2E/DX2 analytically  !
 ! A94   A(10,1,48)            146.7655         calculate D2E/DX2 analytically  !
 ! A95   A(11,1,14)            113.0113         calculate D2E/DX2 analytically  !
 ! A96   A(11,1,16)            117.1262         calculate D2E/DX2 analytically  !
 ! A97   A(11,1,18)            138.185          calculate D2E/DX2 analytically  !
 ! A98   A(11,1,19)            134.1939         calculate D2E/DX2 analytically  !
 ! A99   A(11,1,22)             97.7097         calculate D2E/DX2 analytically  !
 ! A100  A(11,1,24)             91.8495         calculate D2E/DX2 analytically  !
 ! A101  A(11,1,26)             50.6892         calculate D2E/DX2 analytically  !
 ! A102  A(11,1,28)             61.1034         calculate D2E/DX2 analytically  !
 ! A103  A(11,1,30)             54.3273         calculate D2E/DX2 analytically  !
 ! A104  A(11,1,32)             64.3304         calculate D2E/DX2 analytically  !
 ! A105  A(11,1,34)             85.4949         calculate D2E/DX2 analytically  !
 ! A106  A(11,1,38)            142.6957         calculate D2E/DX2 analytically  !
 ! A107  A(11,1,40)            135.0508         calculate D2E/DX2 analytically  !
 ! A108  A(11,1,42)            110.2053         calculate D2E/DX2 analytically  !
 ! A109  A(11,1,45)            100.0078         calculate D2E/DX2 analytically  !
 ! A110  A(11,1,46)            141.0286         calculate D2E/DX2 analytically  !
 ! A111  A(11,1,48)            131.5685         calculate D2E/DX2 analytically  !
 ! A112  A(14,1,18)             40.9817         calculate D2E/DX2 analytically  !
 ! A113  A(14,1,19)             57.7086         calculate D2E/DX2 analytically  !
 ! A114  A(14,1,22)             39.9522         calculate D2E/DX2 analytically  !
 ! A115  A(14,1,24)             56.503          calculate D2E/DX2 analytically  !
 ! A116  A(14,1,26)            104.2172         calculate D2E/DX2 analytically  !
 ! A117  A(14,1,28)             82.3914         calculate D2E/DX2 analytically  !
 ! A118  A(14,1,30)             69.4739         calculate D2E/DX2 analytically  !
 ! A119  A(14,1,32)             53.665          calculate D2E/DX2 analytically  !
 ! A120  A(14,1,34)             71.7075         calculate D2E/DX2 analytically  !
 ! A121  A(14,1,38)            104.1642         calculate D2E/DX2 analytically  !
 ! A122  A(14,1,40)            107.1727         calculate D2E/DX2 analytically  !
 ! A123  A(14,1,42)            128.373          calculate D2E/DX2 analytically  !
 ! A124  A(14,1,45)            125.0784         calculate D2E/DX2 analytically  !
 ! A125  A(14,1,46)             88.2042         calculate D2E/DX2 analytically  !
 ! A126  A(14,1,48)             81.2542         calculate D2E/DX2 analytically  !
 ! A127  A(16,1,19)             37.6545         calculate D2E/DX2 analytically  !
 ! A128  A(16,1,24)             37.931          calculate D2E/DX2 analytically  !
 ! A129  A(16,1,26)            125.0002         calculate D2E/DX2 analytically  !
 ! A130  A(16,1,28)            103.6003         calculate D2E/DX2 analytically  !
 ! A131  A(16,1,30)             87.0024         calculate D2E/DX2 analytically  !
 ! A132  A(16,1,32)             70.1084         calculate D2E/DX2 analytically  !
 ! A133  A(16,1,34)             94.3015         calculate D2E/DX2 analytically  !
 ! A134  A(16,1,38)             96.0887         calculate D2E/DX2 analytically  !
 ! A135  A(16,1,40)            107.7386         calculate D2E/DX2 analytically  !
 ! A136  A(16,1,42)            132.4796         calculate D2E/DX2 analytically  !
 ! A137  A(16,1,45)            137.9875         calculate D2E/DX2 analytically  !
 ! A138  A(16,1,46)             95.2016         calculate D2E/DX2 analytically  !
 ! A139  A(16,1,48)             93.7564         calculate D2E/DX2 analytically  !
 ! A140  A(18,1,22)             40.5295         calculate D2E/DX2 analytically  !
 ! A141  A(18,1,24)             47.7087         calculate D2E/DX2 analytically  !
 ! A142  A(18,1,26)            144.0047         calculate D2E/DX2 analytically  !
 ! A143  A(18,1,28)            122.3509         calculate D2E/DX2 analytically  !
 ! A144  A(18,1,30)            110.0491         calculate D2E/DX2 analytically  !
 ! A145  A(18,1,32)             93.5449         calculate D2E/DX2 analytically  !
 ! A146  A(18,1,34)            105.8816         calculate D2E/DX2 analytically  !
 ! A147  A(18,1,38)             71.8102         calculate D2E/DX2 analytically  !
 ! A148  A(18,1,40)             86.1209         calculate D2E/DX2 analytically  !
 ! A149  A(18,1,42)            110.772          calculate D2E/DX2 analytically  !
 ! A150  A(18,1,45)            121.7043         calculate D2E/DX2 analytically  !
 ! A151  A(18,1,46)             79.1705         calculate D2E/DX2 analytically  !
 ! A152  A(18,1,48)             83.5159         calculate D2E/DX2 analytically  !
 ! A153  A(19,1,22)             43.9551         calculate D2E/DX2 analytically  !
 ! A154  A(19,1,24)             43.7751         calculate D2E/DX2 analytically  !
 ! A155  A(19,1,26)            161.8494         calculate D2E/DX2 analytically  !
 ! A156  A(19,1,28)            139.9998         calculate D2E/DX2 analytically  !
 ! A157  A(19,1,30)            124.5023         calculate D2E/DX2 analytically  !
 ! A158  A(19,1,32)            107.5421         calculate D2E/DX2 analytically  !
 ! A159  A(19,1,34)            123.8097         calculate D2E/DX2 analytically  !
 ! A160  A(19,1,38)             65.289          calculate D2E/DX2 analytically  !
 ! A161  A(19,1,40)             84.5264         calculate D2E/DX2 analytically  !
 ! A162  A(19,1,42)            106.9648         calculate D2E/DX2 analytically  !
 ! A163  A(19,1,45)            122.3102         calculate D2E/DX2 analytically  !
 ! A164  A(19,1,46)             84.6893         calculate D2E/DX2 analytically  !
 ! A165  A(19,1,48)             93.27           calculate D2E/DX2 analytically  !
 ! A166  A(22,1,26)            124.0712         calculate D2E/DX2 analytically  !
 ! A167  A(22,1,28)            106.7938         calculate D2E/DX2 analytically  !
 ! A168  A(22,1,30)             84.7046         calculate D2E/DX2 analytically  !
 ! A169  A(22,1,32)             68.6436         calculate D2E/DX2 analytically  !
 ! A170  A(22,1,34)            106.8372         calculate D2E/DX2 analytically  !
 ! A171  A(22,1,38)            109.1892         calculate D2E/DX2 analytically  !
 ! A172  A(22,1,40)            126.47           calculate D2E/DX2 analytically  !
 ! A173  A(22,1,42)            150.5587         calculate D2E/DX2 analytically  !
 ! A174  A(22,1,46)            117.8729         calculate D2E/DX2 analytically  !
 ! A175  A(22,1,48)            117.1957         calculate D2E/DX2 analytically  !
 ! A176  A(24,1,26)            130.2144         calculate D2E/DX2 analytically  !
 ! A177  A(24,1,28)            117.4645         calculate D2E/DX2 analytically  !
 ! A178  A(24,1,30)             93.8518         calculate D2E/DX2 analytically  !
 ! A179  A(24,1,32)             79.5076         calculate D2E/DX2 analytically  !
 ! A180  A(24,1,34)            122.0971         calculate D2E/DX2 analytically  !
 ! A181  A(24,1,38)            106.5409         calculate D2E/DX2 analytically  !
 ! A182  A(24,1,40)            127.839          calculate D2E/DX2 analytically  !
 ! A183  A(24,1,42)            146.9162         calculate D2E/DX2 analytically  !
 ! A184  A(24,1,46)            126.7054         calculate D2E/DX2 analytically  !
 ! A185  A(24,1,48)            130.1896         calculate D2E/DX2 analytically  !
 ! A186  A(26,1,30)             39.7384         calculate D2E/DX2 analytically  !
 ! A187  A(26,1,32)             56.4755         calculate D2E/DX2 analytically  !
 ! A188  A(26,1,34)             40.0508         calculate D2E/DX2 analytically  !
 ! A189  A(26,1,38)            123.1388         calculate D2E/DX2 analytically  !
 ! A190  A(26,1,40)            100.9313         calculate D2E/DX2 analytically  !
 ! A191  A(26,1,42)             82.478          calculate D2E/DX2 analytically  !
 ! A192  A(26,1,45)             64.8053         calculate D2E/DX2 analytically  !
 ! A193  A(26,1,46)             93.6642         calculate D2E/DX2 analytically  !
 ! A194  A(26,1,48)             81.3048         calculate D2E/DX2 analytically  !
 ! A195  A(28,1,32)             38.3085         calculate D2E/DX2 analytically  !
 ! A196  A(28,1,38)            129.6479         calculate D2E/DX2 analytically  !
 ! A197  A(28,1,40)            106.7966         calculate D2E/DX2 analytically  !
 ! A198  A(28,1,42)             95.0911         calculate D2E/DX2 analytically  !
 ! A199  A(28,1,45)             76.7085         calculate D2E/DX2 analytically  !
 ! A200  A(28,1,46)             91.9252         calculate D2E/DX2 analytically  !
 ! A201  A(28,1,48)             76.5843         calculate D2E/DX2 analytically  !
 ! A202  A(30,1,34)             40.8377         calculate D2E/DX2 analytically  !
 ! A203  A(30,1,38)            150.5602         calculate D2E/DX2 analytically  !
 ! A204  A(30,1,40)            129.0736         calculate D2E/DX2 analytically  !
 ! A205  A(30,1,42)            118.9334         calculate D2E/DX2 analytically  !
 ! A206  A(30,1,45)            100.537          calculate D2E/DX2 analytically  !
 ! A207  A(30,1,46)            110.7346         calculate D2E/DX2 analytically  !
 ! A208  A(30,1,48)             94.5863         calculate D2E/DX2 analytically  !
 ! A209  A(32,1,34)             47.6626         calculate D2E/DX2 analytically  !
 ! A210  A(32,1,38)            149.6915         calculate D2E/DX2 analytically  !
 ! A211  A(32,1,40)            134.5026         calculate D2E/DX2 analytically  !
 ! A212  A(32,1,42)            131.8498         calculate D2E/DX2 analytically  !
 ! A213  A(32,1,45)            113.9172         calculate D2E/DX2 analytically  !
 ! A214  A(32,1,46)            112.5797         calculate D2E/DX2 analytically  !
 ! A215  A(32,1,48)             96.9094         calculate D2E/DX2 analytically  !
 ! A216  A(34,1,38)            109.7496         calculate D2E/DX2 analytically  !
 ! A217  A(34,1,40)             88.715          calculate D2E/DX2 analytically  !
 ! A218  A(34,1,42)             85.1079         calculate D2E/DX2 analytically  !
 ! A219  A(34,1,45)             68.4902         calculate D2E/DX2 analytically  !
 ! A220  A(34,1,46)             70.0796         calculate D2E/DX2 analytically  !
 ! A221  A(34,1,48)             54.0523         calculate D2E/DX2 analytically  !
 ! A222  A(38,1,42)             41.7445         calculate D2E/DX2 analytically  !
 ! A223  A(38,1,45)             58.4962         calculate D2E/DX2 analytically  !
 ! A224  A(38,1,46)             39.8696         calculate D2E/DX2 analytically  !
 ! A225  A(38,1,48)             56.0389         calculate D2E/DX2 analytically  !
 ! A226  A(40,1,45)             37.7859         calculate D2E/DX2 analytically  !
 ! A227  A(40,1,48)             37.7675         calculate D2E/DX2 analytically  !
 ! A228  A(42,1,46)             40.1994         calculate D2E/DX2 analytically  !
 ! A229  A(42,1,48)             48.6465         calculate D2E/DX2 analytically  !
 ! A230  A(45,1,46)             43.3465         calculate D2E/DX2 analytically  !
 ! A231  A(45,1,48)             44.7675         calculate D2E/DX2 analytically  !
 ! A232  A(1,2,3)               91.7684         calculate D2E/DX2 analytically  !
 ! A233  A(1,2,5)              105.9231         calculate D2E/DX2 analytically  !
 ! A234  A(3,2,4)              125.5458         calculate D2E/DX2 analytically  !
 ! A235  A(3,2,5)              121.9912         calculate D2E/DX2 analytically  !
 ! A236  A(4,2,5)              112.4401         calculate D2E/DX2 analytically  !
 ! A237  A(2,4,6)              121.5608         calculate D2E/DX2 analytically  !
 ! A238  A(2,4,10)             121.8493         calculate D2E/DX2 analytically  !
 ! A239  A(6,4,10)             116.4903         calculate D2E/DX2 analytically  !
 ! A240  A(1,6,7)              105.3332         calculate D2E/DX2 analytically  !
 ! A241  A(1,6,9)              145.1697         calculate D2E/DX2 analytically  !
 ! A242  A(4,6,7)              109.6126         calculate D2E/DX2 analytically  !
 ! A243  A(4,6,8)              109.9252         calculate D2E/DX2 analytically  !
 ! A244  A(4,6,9)              109.8472         calculate D2E/DX2 analytically  !
 ! A245  A(7,6,8)              109.3652         calculate D2E/DX2 analytically  !
 ! A246  A(7,6,9)              109.3392         calculate D2E/DX2 analytically  !
 ! A247  A(8,6,9)              108.7326         calculate D2E/DX2 analytically  !
 ! A248  A(1,10,12)             75.8025         calculate D2E/DX2 analytically  !
 ! A249  A(4,10,11)            109.3001         calculate D2E/DX2 analytically  !
 ! A250  A(4,10,12)            109.3885         calculate D2E/DX2 analytically  !
 ! A251  A(4,10,13)            110.3704         calculate D2E/DX2 analytically  !
 ! A252  A(11,10,12)           109.4471         calculate D2E/DX2 analytically  !
 ! A253  A(11,10,13)           108.6212         calculate D2E/DX2 analytically  !
 ! A254  A(12,10,13)           109.6951         calculate D2E/DX2 analytically  !
 ! A255  A(1,14,15)             98.7792         calculate D2E/DX2 analytically  !
 ! A256  A(1,14,17)            101.0523         calculate D2E/DX2 analytically  !
 ! A257  A(15,14,16)           125.5104         calculate D2E/DX2 analytically  !
 ! A258  A(15,14,17)           122.0404         calculate D2E/DX2 analytically  !
 ! A259  A(16,14,17)           112.4361         calculate D2E/DX2 analytically  !
 ! A260  A(14,16,18)           121.6745         calculate D2E/DX2 analytically  !
 ! A261  A(14,16,22)           121.6478         calculate D2E/DX2 analytically  !
 ! A262  A(18,16,22)           116.6514         calculate D2E/DX2 analytically  !
 ! A263  A(1,18,21)             77.0222         calculate D2E/DX2 analytically  !
 ! A264  A(16,18,19)           108.865          calculate D2E/DX2 analytically  !
 ! A265  A(16,18,20)           110.6352         calculate D2E/DX2 analytically  !
 ! A266  A(16,18,21)           109.3674         calculate D2E/DX2 analytically  !
 ! A267  A(19,18,20)           108.6854         calculate D2E/DX2 analytically  !
 ! A268  A(19,18,21)           109.7009         calculate D2E/DX2 analytically  !
 ! A269  A(20,18,21)           109.5695         calculate D2E/DX2 analytically  !
 ! A270  A(1,22,23)            153.5616         calculate D2E/DX2 analytically  !
 ! A271  A(1,22,25)             96.4516         calculate D2E/DX2 analytically  !
 ! A272  A(16,22,23)           110.333          calculate D2E/DX2 analytically  !
 ! A273  A(16,22,24)           109.5705         calculate D2E/DX2 analytically  !
 ! A274  A(16,22,25)           109.6877         calculate D2E/DX2 analytically  !
 ! A275  A(23,22,24)           108.4957         calculate D2E/DX2 analytically  !
 ! A276  A(23,22,25)           109.4706         calculate D2E/DX2 analytically  !
 ! A277  A(24,22,25)           109.2594         calculate D2E/DX2 analytically  !
 ! A278  A(1,26,27)            104.1869         calculate D2E/DX2 analytically  !
 ! A279  A(1,26,29)             99.9114         calculate D2E/DX2 analytically  !
 ! A280  A(27,26,28)           125.4641         calculate D2E/DX2 analytically  !
 ! A281  A(27,26,29)           122.0701         calculate D2E/DX2 analytically  !
 ! A282  A(28,26,29)           112.4608         calculate D2E/DX2 analytically  !
 ! A283  A(26,28,30)           121.6958         calculate D2E/DX2 analytically  !
 ! A284  A(26,28,34)           121.1754         calculate D2E/DX2 analytically  !
 ! A285  A(30,28,34)           116.9915         calculate D2E/DX2 analytically  !
 ! A286  A(1,30,31)            155.8131         calculate D2E/DX2 analytically  !
 ! A287  A(1,30,33)             93.8305         calculate D2E/DX2 analytically  !
 ! A288  A(28,30,31)           110.4104         calculate D2E/DX2 analytically  !
 ! A289  A(28,30,32)           109.7046         calculate D2E/DX2 analytically  !
 ! A290  A(28,30,33)           109.532          calculate D2E/DX2 analytically  !
 ! A291  A(31,30,32)           108.3153         calculate D2E/DX2 analytically  !
 ! A292  A(31,30,33)           109.6071         calculate D2E/DX2 analytically  !
 ! A293  A(32,30,33)           109.2476         calculate D2E/DX2 analytically  !
 ! A294  A(1,34,36)             77.6236         calculate D2E/DX2 analytically  !
 ! A295  A(1,34,37)             66.0007         calculate D2E/DX2 analytically  !
 ! A296  A(28,34,35)           110.8025         calculate D2E/DX2 analytically  !
 ! A297  A(28,34,36)           109.3023         calculate D2E/DX2 analytically  !
 ! A298  A(28,34,37)           108.9417         calculate D2E/DX2 analytically  !
 ! A299  A(35,34,36)           109.3671         calculate D2E/DX2 analytically  !
 ! A300  A(35,34,37)           108.7719         calculate D2E/DX2 analytically  !
 ! A301  A(36,34,37)           109.6386         calculate D2E/DX2 analytically  !
 ! A302  A(1,38,39)             92.3862         calculate D2E/DX2 analytically  !
 ! A303  A(1,38,41)            104.9195         calculate D2E/DX2 analytically  !
 ! A304  A(39,38,40)           125.3943         calculate D2E/DX2 analytically  !
 ! A305  A(39,38,41)           122.0366         calculate D2E/DX2 analytically  !
 ! A306  A(40,38,41)           112.5487         calculate D2E/DX2 analytically  !
 ! A307  A(38,40,42)           121.7813         calculate D2E/DX2 analytically  !
 ! A308  A(38,40,46)           121.6714         calculate D2E/DX2 analytically  !
 ! A309  A(42,40,46)           116.2983         calculate D2E/DX2 analytically  !
 ! A310  A(1,42,43)             74.6429         calculate D2E/DX2 analytically  !
 ! A311  A(1,42,44)            174.2702         calculate D2E/DX2 analytically  !
 ! A312  A(40,42,43)           109.5432         calculate D2E/DX2 analytically  !
 ! A313  A(40,42,44)           110.4486         calculate D2E/DX2 analytically  !
 ! A314  A(40,42,45)           109.0187         calculate D2E/DX2 analytically  !
 ! A315  A(43,42,44)           109.5822         calculate D2E/DX2 analytically  !
 ! A316  A(43,42,45)           109.5637         calculate D2E/DX2 analytically  !
 ! A317  A(44,42,45)           108.665          calculate D2E/DX2 analytically  !
 ! A318  A(1,46,47)            102.9896         calculate D2E/DX2 analytically  !
 ! A319  A(40,46,47)           109.7783         calculate D2E/DX2 analytically  !
 ! A320  A(40,46,48)           109.6899         calculate D2E/DX2 analytically  !
 ! A321  A(40,46,49)           109.9832         calculate D2E/DX2 analytically  !
 ! A322  A(47,46,48)           109.3052         calculate D2E/DX2 analytically  !
 ! A323  A(47,46,49)           109.4256         calculate D2E/DX2 analytically  !
 ! A324  A(48,46,49)           108.6374         calculate D2E/DX2 analytically  !
 ! A325  L(8,1,18,2,-1)        167.9727         calculate D2E/DX2 analytically  !
 ! A326  L(22,1,45,2,-1)       194.6346         calculate D2E/DX2 analytically  !
 ! A327  L(24,1,45,2,-1)       178.3082         calculate D2E/DX2 analytically  !
 ! A328  L(1,10,13,12,-1)      185.4976         calculate D2E/DX2 analytically  !
 ! A329  L(1,18,20,21,-1)      186.5917         calculate D2E/DX2 analytically  !
 ! A330  L(1,34,35,36,-1)      186.9906         calculate D2E/DX2 analytically  !
 ! A331  L(1,46,49,47,-1)      212.4152         calculate D2E/DX2 analytically  !
 ! A332  L(8,1,18,2,-2)        188.6282         calculate D2E/DX2 analytically  !
 ! A333  L(22,1,45,2,-2)       168.1271         calculate D2E/DX2 analytically  !
 ! A334  L(24,1,45,2,-2)       164.8585         calculate D2E/DX2 analytically  !
 ! A335  L(1,10,13,12,-2)      185.4579         calculate D2E/DX2 analytically  !
 ! A336  L(1,18,20,21,-2)      176.5171         calculate D2E/DX2 analytically  !
 ! A337  L(1,34,35,36,-2)      177.8226         calculate D2E/DX2 analytically  !
 ! A338  L(1,46,49,47,-2)      175.1822         calculate D2E/DX2 analytically  !
 ! D1    D(6,1,2,3)            158.1737         calculate D2E/DX2 analytically  !
 ! D2    D(6,1,2,5)            -77.7705         calculate D2E/DX2 analytically  !
 ! D3    D(8,1,2,3)            159.6596         calculate D2E/DX2 analytically  !
 ! D4    D(8,1,2,5)            -76.2847         calculate D2E/DX2 analytically  !
 ! D5    D(10,1,2,3)            95.0112         calculate D2E/DX2 analytically  !
 ! D6    D(10,1,2,5)          -140.9331         calculate D2E/DX2 analytically  !
 ! D7    D(11,1,2,3)           104.7324         calculate D2E/DX2 analytically  !
 ! D8    D(11,1,2,5)          -131.2119         calculate D2E/DX2 analytically  !
 ! D9    D(14,1,2,3)            13.1119         calculate D2E/DX2 analytically  !
 ! D10   D(14,1,2,5)           137.1676         calculate D2E/DX2 analytically  !
 ! D11   D(16,1,2,3)            -2.1767         calculate D2E/DX2 analytically  !
 ! D12   D(16,1,2,5)           121.8791         calculate D2E/DX2 analytically  !
 ! D13   D(18,1,2,3)           -28.9686         calculate D2E/DX2 analytically  !
 ! D14   D(18,1,2,5)            95.0872         calculate D2E/DX2 analytically  !
 ! D15   D(19,1,2,3)           -34.9203         calculate D2E/DX2 analytically  !
 ! D16   D(19,1,2,5)            89.1354         calculate D2E/DX2 analytically  !
 ! D17   D(22,1,2,3)             9.2635         calculate D2E/DX2 analytically  !
 ! D18   D(22,1,2,5)           133.3193         calculate D2E/DX2 analytically  !
 ! D19   D(24,1,2,3)             5.995          calculate D2E/DX2 analytically  !
 ! D20   D(24,1,2,5)           130.0507         calculate D2E/DX2 analytically  !
 ! D21   D(26,1,2,3)           135.3679         calculate D2E/DX2 analytically  !
 ! D22   D(26,1,2,5)          -100.5763         calculate D2E/DX2 analytically  !
 ! D23   D(28,1,2,3)           121.62           calculate D2E/DX2 analytically  !
 ! D24   D(28,1,2,5)          -114.3242         calculate D2E/DX2 analytically  !
 ! D25   D(30,1,2,3)            95.9129         calculate D2E/DX2 analytically  !
 ! D26   D(30,1,2,5)          -140.0314         calculate D2E/DX2 analytically  !
 ! D27   D(32,1,2,3)            78.1934         calculate D2E/DX2 analytically  !
 ! D28   D(32,1,2,5)          -157.7509         calculate D2E/DX2 analytically  !
 ! D29   D(34,1,2,3)           134.2353         calculate D2E/DX2 analytically  !
 ! D30   D(34,1,2,5)          -101.7089         calculate D2E/DX2 analytically  !
 ! D31   D(38,1,2,3)          -100.3407         calculate D2E/DX2 analytically  !
 ! D32   D(38,1,2,5)            23.7151         calculate D2E/DX2 analytically  !
 ! D33   D(40,1,2,3)          -120.6475         calculate D2E/DX2 analytically  !
 ! D34   D(40,1,2,5)             3.4083         calculate D2E/DX2 analytically  !
 ! D35   D(42,1,2,3)          -142.0798         calculate D2E/DX2 analytically  !
 ! D36   D(42,1,2,5)           -18.0241         calculate D2E/DX2 analytically  !
 ! D37   D(45,1,2,3)          -158.8635         calculate D2E/DX2 analytically  !
 ! D38   D(45,1,2,5)           -34.8078         calculate D2E/DX2 analytically  !
 ! D39   D(46,1,2,3)          -122.4352         calculate D2E/DX2 analytically  !
 ! D40   D(46,1,2,5)             1.6205         calculate D2E/DX2 analytically  !
 ! D41   D(48,1,2,3)          -136.5649         calculate D2E/DX2 analytically  !
 ! D42   D(48,1,2,5)           -12.5092         calculate D2E/DX2 analytically  !
 ! D43   D(2,1,6,7)             72.3922         calculate D2E/DX2 analytically  !
 ! D44   D(2,1,6,9)           -113.1761         calculate D2E/DX2 analytically  !
 ! D45   D(10,1,6,7)           140.2312         calculate D2E/DX2 analytically  !
 ! D46   D(10,1,6,9)           -45.3371         calculate D2E/DX2 analytically  !
 ! D47   D(11,1,6,7)           167.5145         calculate D2E/DX2 analytically  !
 ! D48   D(11,1,6,9)           -18.0538         calculate D2E/DX2 analytically  !
 ! D49   D(14,1,6,7)           163.8349         calculate D2E/DX2 analytically  !
 ! D50   D(14,1,6,9)           -21.7335         calculate D2E/DX2 analytically  !
 ! D51   D(16,1,6,7)           111.6838         calculate D2E/DX2 analytically  !
 ! D52   D(16,1,6,9)           -73.8845         calculate D2E/DX2 analytically  !
 ! D53   D(18,1,6,7)            58.4785         calculate D2E/DX2 analytically  !
 ! D54   D(18,1,6,9)          -127.0898         calculate D2E/DX2 analytically  !
 ! D55   D(19,1,6,7)            54.2643         calculate D2E/DX2 analytically  !
 ! D56   D(19,1,6,9)          -131.3041         calculate D2E/DX2 analytically  !
 ! D57   D(22,1,6,7)           113.2268         calculate D2E/DX2 analytically  !
 ! D58   D(22,1,6,9)           -72.3415         calculate D2E/DX2 analytically  !
 ! D59   D(24,1,6,7)           102.6108         calculate D2E/DX2 analytically  !
 ! D60   D(24,1,6,9)           -82.9575         calculate D2E/DX2 analytically  !
 ! D61   D(26,1,6,7)          -132.8341         calculate D2E/DX2 analytically  !
 ! D62   D(26,1,6,9)            41.5976         calculate D2E/DX2 analytically  !
 ! D63   D(28,1,6,7)          -139.6897         calculate D2E/DX2 analytically  !
 ! D64   D(28,1,6,9)            34.7419         calculate D2E/DX2 analytically  !
 ! D65   D(30,1,6,7)          -162.6907         calculate D2E/DX2 analytically  !
 ! D66   D(30,1,6,9)            11.741          calculate D2E/DX2 analytically  !
 ! D67   D(32,1,6,7)          -172.2753         calculate D2E/DX2 analytically  !
 ! D68   D(32,1,6,9)             2.1564         calculate D2E/DX2 analytically  !
 ! D69   D(34,1,6,7)          -123.1562         calculate D2E/DX2 analytically  !
 ! D70   D(34,1,6,9)            51.2755         calculate D2E/DX2 analytically  !
 ! D71   D(38,1,6,7)           -10.3581         calculate D2E/DX2 analytically  !
 ! D72   D(38,1,6,9)           164.0736         calculate D2E/DX2 analytically  !
 ! D73   D(40,1,6,7)           -33.277          calculate D2E/DX2 analytically  !
 ! D74   D(40,1,6,9)           141.1547         calculate D2E/DX2 analytically  !
 ! D75   D(42,1,6,7)           -42.5467         calculate D2E/DX2 analytically  !
 ! D76   D(42,1,6,9)           131.885          calculate D2E/DX2 analytically  !
 ! D77   D(45,1,6,7)           -61.8612         calculate D2E/DX2 analytically  !
 ! D78   D(45,1,6,9)           112.5705         calculate D2E/DX2 analytically  !
 ! D79   D(46,1,6,7)           -49.8127         calculate D2E/DX2 analytically  !
 ! D80   D(46,1,6,9)           124.6189         calculate D2E/DX2 analytically  !
 ! D81   D(48,1,6,7)           -67.1642         calculate D2E/DX2 analytically  !
 ! D82   D(48,1,6,9)           107.2675         calculate D2E/DX2 analytically  !
 ! D83   D(2,1,10,12)          -86.8754         calculate D2E/DX2 analytically  !
 ! D84   D(6,1,10,12)         -148.9067         calculate D2E/DX2 analytically  !
 ! D85   D(8,1,10,12)         -167.9811         calculate D2E/DX2 analytically  !
 ! D86   D(14,1,10,12)          41.551          calculate D2E/DX2 analytically  !
 ! D87   D(16,1,10,12)          16.697          calculate D2E/DX2 analytically  !
 ! D88   D(18,1,10,12)          -6.3951         calculate D2E/DX2 analytically  !
 ! D89   D(19,1,10,12)         -25.3088         calculate D2E/DX2 analytically  !
 ! D90   D(22,1,10,12)          10.1869         calculate D2E/DX2 analytically  !
 ! D91   D(24,1,10,12)          -3.1525         calculate D2E/DX2 analytically  !
 ! D92   D(26,1,10,12)         136.5393         calculate D2E/DX2 analytically  !
 ! D93   D(28,1,10,12)         116.9814         calculate D2E/DX2 analytically  !
 ! D94   D(30,1,10,12)          94.0107         calculate D2E/DX2 analytically  !
 ! D95   D(32,1,10,12)          77.8992         calculate D2E/DX2 analytically  !
 ! D96   D(34,1,10,12)         117.954          calculate D2E/DX2 analytically  !
 ! D97   D(38,1,10,12)        -107.871          calculate D2E/DX2 analytically  !
 ! D98   D(40,1,10,12)        -139.7723         calculate D2E/DX2 analytically  !
 ! D99   D(42,1,10,12)        -151.7609         calculate D2E/DX2 analytically  !
 ! D100  D(45,1,10,12)        -170.6418         calculate D2E/DX2 analytically  !
 ! D101  D(46,1,10,12)        -168.1349         calculate D2E/DX2 analytically  !
 ! D102  D(48,1,10,12)         161.3219         calculate D2E/DX2 analytically  !
 ! D103  D(2,1,14,15)         -162.6414         calculate D2E/DX2 analytically  !
 ! D104  D(2,1,14,17)           72.1106         calculate D2E/DX2 analytically  !
 ! D105  D(4,1,14,15)          163.4924         calculate D2E/DX2 analytically  !
 ! D106  D(4,1,14,17)           38.2444         calculate D2E/DX2 analytically  !
 ! D107  D(6,1,14,15)          132.3356         calculate D2E/DX2 analytically  !
 ! D108  D(6,1,14,17)            7.0876         calculate D2E/DX2 analytically  !
 ! D109  D(8,1,14,15)           95.9199         calculate D2E/DX2 analytically  !
 ! D110  D(8,1,14,17)          -29.3281         calculate D2E/DX2 analytically  !
 ! D111  D(10,1,14,15)         149.209          calculate D2E/DX2 analytically  !
 ! D112  D(10,1,14,17)          23.961          calculate D2E/DX2 analytically  !
 ! D113  D(11,1,14,15)         129.5884         calculate D2E/DX2 analytically  !
 ! D114  D(11,1,14,17)           4.3404         calculate D2E/DX2 analytically  !
 ! D115  D(18,1,14,15)         -92.1831         calculate D2E/DX2 analytically  !
 ! D116  D(18,1,14,17)         142.5689         calculate D2E/DX2 analytically  !
 ! D117  D(19,1,14,15)        -101.5447         calculate D2E/DX2 analytically  !
 ! D118  D(19,1,14,17)         133.2073         calculate D2E/DX2 analytically  !
 ! D119  D(22,1,14,15)        -156.6735         calculate D2E/DX2 analytically  !
 ! D120  D(22,1,14,17)          78.0785         calculate D2E/DX2 analytically  !
 ! D121  D(24,1,14,15)        -154.2408         calculate D2E/DX2 analytically  !
 ! D122  D(24,1,14,17)          80.5112         calculate D2E/DX2 analytically  !
 ! D123  D(26,1,14,15)          76.6333         calculate D2E/DX2 analytically  !
 ! D124  D(26,1,14,17)         -48.6147         calculate D2E/DX2 analytically  !
 ! D125  D(28,1,14,15)          75.4906         calculate D2E/DX2 analytically  !
 ! D126  D(28,1,14,17)         -49.7574         calculate D2E/DX2 analytically  !
 ! D127  D(30,1,14,15)          96.2596         calculate D2E/DX2 analytically  !
 ! D128  D(30,1,14,17)         -28.9884         calculate D2E/DX2 analytically  !
 ! D129  D(32,1,14,15)         103.3032         calculate D2E/DX2 analytically  !
 ! D130  D(32,1,14,17)         -21.9448         calculate D2E/DX2 analytically  !
 ! D131  D(34,1,14,15)          52.9019         calculate D2E/DX2 analytically  !
 ! D132  D(34,1,14,17)         -72.3461         calculate D2E/DX2 analytically  !
 ! D133  D(38,1,14,15)         -53.5749         calculate D2E/DX2 analytically  !
 ! D134  D(38,1,14,17)        -178.8229         calculate D2E/DX2 analytically  !
 ! D135  D(40,1,14,15)         -29.8089         calculate D2E/DX2 analytically  !
 ! D136  D(40,1,14,17)        -155.0569         calculate D2E/DX2 analytically  !
 ! D137  D(42,1,14,15)         -14.992          calculate D2E/DX2 analytically  !
 ! D138  D(42,1,14,17)        -140.24           calculate D2E/DX2 analytically  !
 ! D139  D(45,1,14,15)           7.6531         calculate D2E/DX2 analytically  !
 ! D140  D(45,1,14,17)        -117.5949         calculate D2E/DX2 analytically  !
 ! D141  D(46,1,14,15)         -16.6928         calculate D2E/DX2 analytically  !
 ! D142  D(46,1,14,17)        -141.9408         calculate D2E/DX2 analytically  !
 ! D143  D(48,1,14,15)          -2.0188         calculate D2E/DX2 analytically  !
 ! D144  D(48,1,14,17)        -127.2668         calculate D2E/DX2 analytically  !
 ! D145  D(2,1,18,21)         -138.5665         calculate D2E/DX2 analytically  !
 ! D146  D(4,1,18,21)         -151.0665         calculate D2E/DX2 analytically  !
 ! D147  D(6,1,18,21)         -129.0562         calculate D2E/DX2 analytically  !
 ! D148  D(10,1,18,21)         176.15           calculate D2E/DX2 analytically  !
 ! D149  D(11,1,18,21)         153.8795         calculate D2E/DX2 analytically  !
 ! D150  D(14,1,18,21)          87.0052         calculate D2E/DX2 analytically  !
 ! D151  D(22,1,18,21)         150.1096         calculate D2E/DX2 analytically  !
 ! D152  D(24,1,18,21)         171.8124         calculate D2E/DX2 analytically  !
 ! D153  D(26,1,18,21)          68.3479         calculate D2E/DX2 analytically  !
 ! D154  D(28,1,18,21)          72.4994         calculate D2E/DX2 analytically  !
 ! D155  D(30,1,18,21)          95.4217         calculate D2E/DX2 analytically  !
 ! D156  D(32,1,18,21)          99.4503         calculate D2E/DX2 analytically  !
 ! D157  D(34,1,18,21)          52.6025         calculate D2E/DX2 analytically  !
 ! D158  D(38,1,18,21)         -53.4378         calculate D2E/DX2 analytically  !
 ! D159  D(40,1,18,21)         -34.9524         calculate D2E/DX2 analytically  !
 ! D160  D(42,1,18,21)         -38.1473         calculate D2E/DX2 analytically  !
 ! D161  D(45,1,18,21)         -21.5945         calculate D2E/DX2 analytically  !
 ! D162  D(46,1,18,21)         -12.8729         calculate D2E/DX2 analytically  !
 ! D163  D(48,1,18,21)           2.889          calculate D2E/DX2 analytically  !
 ! D164  D(2,1,22,23)          -71.1221         calculate D2E/DX2 analytically  !
 ! D165  D(2,1,22,25)           97.6416         calculate D2E/DX2 analytically  !
 ! D166  D(4,1,22,23)          -92.1102         calculate D2E/DX2 analytically  !
 ! D167  D(4,1,22,25)           76.6536         calculate D2E/DX2 analytically  !
 ! D168  D(6,1,22,23)          -95.7371         calculate D2E/DX2 analytically  !
 ! D169  D(6,1,22,25)           73.0267         calculate D2E/DX2 analytically  !
 ! D170  D(8,1,22,23)         -110.4909         calculate D2E/DX2 analytically  !
 ! D171  D(8,1,22,25)           58.2729         calculate D2E/DX2 analytically  !
 ! D172  D(10,1,22,23)        -112.6426         calculate D2E/DX2 analytically  !
 ! D173  D(10,1,22,25)          56.1212         calculate D2E/DX2 analytically  !
 ! D174  D(11,1,22,23)        -130.0166         calculate D2E/DX2 analytically  !
 ! D175  D(11,1,22,25)          38.7472         calculate D2E/DX2 analytically  !
 ! D176  D(14,1,22,23)         113.0664         calculate D2E/DX2 analytically  !
 ! D177  D(14,1,22,25)         -78.1698         calculate D2E/DX2 analytically  !
 ! D178  D(18,1,22,23)          47.448          calculate D2E/DX2 analytically  !
 ! D179  D(18,1,22,25)        -143.7882         calculate D2E/DX2 analytically  !
 ! D180  D(19,1,22,23)          20.8004         calculate D2E/DX2 analytically  !
 ! D181  D(19,1,22,25)        -170.4358         calculate D2E/DX2 analytically  !
 ! D182  D(26,1,22,23)        -177.1549         calculate D2E/DX2 analytically  !
 ! D183  D(26,1,22,25)          -8.3912         calculate D2E/DX2 analytically  !
 ! D184  D(28,1,22,23)         167.9207         calculate D2E/DX2 analytically  !
 ! D185  D(28,1,22,25)         -23.3155         calculate D2E/DX2 analytically  !
 ! D186  D(30,1,22,23)         177.1075         calculate D2E/DX2 analytically  !
 ! D187  D(30,1,22,25)         -14.1287         calculate D2E/DX2 analytically  !
 ! D188  D(32,1,22,23)         171.4699         calculate D2E/DX2 analytically  !
 ! D189  D(32,1,22,25)         -19.7663         calculate D2E/DX2 analytically  !
 ! D190  D(34,1,22,23)         142.3817         calculate D2E/DX2 analytically  !
 ! D191  D(34,1,22,25)         -48.8545         calculate D2E/DX2 analytically  !
 ! D192  D(38,1,22,23)          23.7527         calculate D2E/DX2 analytically  !
 ! D193  D(38,1,22,25)        -167.4835         calculate D2E/DX2 analytically  !
 ! D194  D(40,1,22,23)          41.1632         calculate D2E/DX2 analytically  !
 ! D195  D(40,1,22,25)        -150.073          calculate D2E/DX2 analytically  !
 ! D196  D(42,1,22,23)          31.5943         calculate D2E/DX2 analytically  !
 ! D197  D(42,1,22,25)        -159.6419         calculate D2E/DX2 analytically  !
 ! D198  D(46,1,22,23)          66.4243         calculate D2E/DX2 analytically  !
 ! D199  D(46,1,22,25)        -124.812          calculate D2E/DX2 analytically  !
 ! D200  D(48,1,22,23)          84.6627         calculate D2E/DX2 analytically  !
 ! D201  D(48,1,22,25)        -106.5736         calculate D2E/DX2 analytically  !
 ! D202  D(2,1,26,27)           91.6586         calculate D2E/DX2 analytically  !
 ! D203  D(2,1,26,29)          -35.2206         calculate D2E/DX2 analytically  !
 ! D204  D(4,1,26,27)           94.9365         calculate D2E/DX2 analytically  !
 ! D205  D(4,1,26,29)          -31.9426         calculate D2E/DX2 analytically  !
 ! D206  D(6,1,26,27)           75.7514         calculate D2E/DX2 analytically  !
 ! D207  D(6,1,26,29)          -51.1277         calculate D2E/DX2 analytically  !
 ! D208  D(8,1,26,27)           65.5543         calculate D2E/DX2 analytically  !
 ! D209  D(8,1,26,29)          -61.3248         calculate D2E/DX2 analytically  !
 ! D210  D(10,1,26,27)         119.2688         calculate D2E/DX2 analytically  !
 ! D211  D(10,1,26,29)          -7.6103         calculate D2E/DX2 analytically  !
 ! D212  D(11,1,26,27)         125.8088         calculate D2E/DX2 analytically  !
 ! D213  D(11,1,26,29)          -1.0703         calculate D2E/DX2 analytically  !
 ! D214  D(14,1,26,27)        -125.9058         calculate D2E/DX2 analytically  !
 ! D215  D(14,1,26,29)         107.215          calculate D2E/DX2 analytically  !
 ! D216  D(16,1,26,27)        -135.7923         calculate D2E/DX2 analytically  !
 ! D217  D(16,1,26,29)          97.3286         calculate D2E/DX2 analytically  !
 ! D218  D(18,1,26,27)        -113.4065         calculate D2E/DX2 analytically  !
 ! D219  D(18,1,26,29)         119.7144         calculate D2E/DX2 analytically  !
 ! D220  D(19,1,26,27)        -120.9561         calculate D2E/DX2 analytically  !
 ! D221  D(19,1,26,29)         112.1648         calculate D2E/DX2 analytically  !
 ! D222  D(22,1,26,27)        -164.3395         calculate D2E/DX2 analytically  !
 ! D223  D(22,1,26,29)          68.7814         calculate D2E/DX2 analytically  !
 ! D224  D(24,1,26,27)         176.1903         calculate D2E/DX2 analytically  !
 ! D225  D(24,1,26,29)          49.3112         calculate D2E/DX2 analytically  !
 ! D226  D(30,1,26,27)        -155.3813         calculate D2E/DX2 analytically  !
 ! D227  D(30,1,26,29)          77.7395         calculate D2E/DX2 analytically  !
 ! D228  D(32,1,26,27)        -151.6103         calculate D2E/DX2 analytically  !
 ! D229  D(32,1,26,29)          81.5106         calculate D2E/DX2 analytically  !
 ! D230  D(34,1,26,27)         -89.4763         calculate D2E/DX2 analytically  !
 ! D231  D(34,1,26,29)         143.6446         calculate D2E/DX2 analytically  !
 ! D232  D(38,1,26,27)          -8.0742         calculate D2E/DX2 analytically  !
 ! D233  D(38,1,26,29)        -134.9533         calculate D2E/DX2 analytically  !
 ! D234  D(40,1,26,27)         -14.8583         calculate D2E/DX2 analytically  !
 ! D235  D(40,1,26,29)        -141.7374         calculate D2E/DX2 analytically  !
 ! D236  D(42,1,26,27)           1.8644         calculate D2E/DX2 analytically  !
 ! D237  D(42,1,26,29)        -125.0147         calculate D2E/DX2 analytically  !
 ! D238  D(45,1,26,27)          -3.4946         calculate D2E/DX2 analytically  !
 ! D239  D(45,1,26,29)        -130.3737         calculate D2E/DX2 analytically  !
 ! D240  D(46,1,26,27)         -36.8323         calculate D2E/DX2 analytically  !
 ! D241  D(46,1,26,29)        -163.7114         calculate D2E/DX2 analytically  !
 ! D242  D(48,1,26,27)         -47.2923         calculate D2E/DX2 analytically  !
 ! D243  D(48,1,26,29)        -174.1715         calculate D2E/DX2 analytically  !
 ! D244  D(2,1,30,31)         -167.7023         calculate D2E/DX2 analytically  !
 ! D245  D(2,1,30,33)           -1.7868         calculate D2E/DX2 analytically  !
 ! D246  D(4,1,30,31)         -179.3631         calculate D2E/DX2 analytically  !
 ! D247  D(4,1,30,33)          -13.4476         calculate D2E/DX2 analytically  !
 ! D248  D(6,1,30,31)          158.1767         calculate D2E/DX2 analytically  !
 ! D249  D(6,1,30,33)          -35.9078         calculate D2E/DX2 analytically  !
 ! D250  D(8,1,30,31)          144.3807         calculate D2E/DX2 analytically  !
 ! D251  D(8,1,30,33)          -49.7037         calculate D2E/DX2 analytically  !
 ! D252  D(10,1,30,31)        -167.0667         calculate D2E/DX2 analytically  !
 ! D253  D(10,1,30,33)          -1.1512         calculate D2E/DX2 analytically  !
 ! D254  D(11,1,30,31)        -176.9597         calculate D2E/DX2 analytically  !
 ! D255  D(11,1,30,33)         -11.0442         calculate D2E/DX2 analytically  !
 ! D256  D(14,1,30,31)         -35.4611         calculate D2E/DX2 analytically  !
 ! D257  D(14,1,30,33)         130.4544         calculate D2E/DX2 analytically  !
 ! D258  D(16,1,30,31)         -50.1165         calculate D2E/DX2 analytically  !
 ! D259  D(16,1,30,33)         115.799          calculate D2E/DX2 analytically  !
 ! D260  D(18,1,30,31)         -41.3442         calculate D2E/DX2 analytically  !
 ! D261  D(18,1,30,33)         124.5713         calculate D2E/DX2 analytically  !
 ! D262  D(19,1,30,31)         -53.7403         calculate D2E/DX2 analytically  !
 ! D263  D(19,1,30,33)         112.1753         calculate D2E/DX2 analytically  !
 ! D264  D(22,1,30,31)         -73.5222         calculate D2E/DX2 analytically  !
 ! D265  D(22,1,30,33)          92.3933         calculate D2E/DX2 analytically  !
 ! D266  D(24,1,30,31)         -87.4475         calculate D2E/DX2 analytically  !
 ! D267  D(24,1,30,33)          78.468          calculate D2E/DX2 analytically  !
 ! D268  D(26,1,30,31)         113.9206         calculate D2E/DX2 analytically  !
 ! D269  D(26,1,30,33)         -80.1639         calculate D2E/DX2 analytically  !
 ! D270  D(34,1,30,31)          49.9879         calculate D2E/DX2 analytically  !
 ! D271  D(34,1,30,33)        -144.0966         calculate D2E/DX2 analytically  !
 ! D272  D(38,1,30,31)          46.9668         calculate D2E/DX2 analytically  !
 ! D273  D(38,1,30,33)        -147.1177         calculate D2E/DX2 analytically  !
 ! D274  D(40,1,30,31)          60.3997         calculate D2E/DX2 analytically  !
 ! D275  D(40,1,30,33)        -133.6848         calculate D2E/DX2 analytically  !
 ! D276  D(42,1,30,31)          87.9354         calculate D2E/DX2 analytically  !
 ! D277  D(42,1,30,33)        -106.1491         calculate D2E/DX2 analytically  !
 ! D278  D(45,1,30,31)          88.2179         calculate D2E/DX2 analytically  !
 ! D279  D(45,1,30,33)        -105.8666         calculate D2E/DX2 analytically  !
 ! D280  D(46,1,30,31)          44.3139         calculate D2E/DX2 analytically  !
 ! D281  D(46,1,30,33)        -149.7706         calculate D2E/DX2 analytically  !
 ! D282  D(48,1,30,31)          43.416          calculate D2E/DX2 analytically  !
 ! D283  D(48,1,30,33)        -150.6685         calculate D2E/DX2 analytically  !
 ! D284  D(2,1,34,36)           89.1781         calculate D2E/DX2 analytically  !
 ! D285  D(2,1,34,37)         -152.5056         calculate D2E/DX2 analytically  !
 ! D286  D(4,1,34,36)           92.2746         calculate D2E/DX2 analytically  !
 ! D287  D(4,1,34,37)         -149.4092         calculate D2E/DX2 analytically  !
 ! D288  D(6,1,34,36)           73.9034         calculate D2E/DX2 analytically  !
 ! D289  D(6,1,34,37)         -167.7804         calculate D2E/DX2 analytically  !
 ! D290  D(8,1,34,36)           68.51           calculate D2E/DX2 analytically  !
 ! D291  D(8,1,34,37)         -173.1737         calculate D2E/DX2 analytically  !
 ! D292  D(10,1,34,36)         114.8211         calculate D2E/DX2 analytically  !
 ! D293  D(10,1,34,37)        -126.8627         calculate D2E/DX2 analytically  !
 ! D294  D(11,1,34,36)         114.0796         calculate D2E/DX2 analytically  !
 ! D295  D(11,1,34,37)        -127.6041         calculate D2E/DX2 analytically  !
 ! D296  D(14,1,34,36)        -129.8777         calculate D2E/DX2 analytically  !
 ! D297  D(14,1,34,37)         -11.5614         calculate D2E/DX2 analytically  !
 ! D298  D(16,1,34,36)        -129.0014         calculate D2E/DX2 analytically  !
 ! D299  D(16,1,34,37)         -10.6851         calculate D2E/DX2 analytically  !
 ! D300  D(18,1,34,36)        -106.9069         calculate D2E/DX2 analytically  !
 ! D301  D(18,1,34,37)          11.4093         calculate D2E/DX2 analytically  !
 ! D302  D(19,1,34,36)        -103.8468         calculate D2E/DX2 analytically  !
 ! D303  D(19,1,34,37)          14.4694         calculate D2E/DX2 analytically  !
 ! D304  D(22,1,34,36)        -149.2156         calculate D2E/DX2 analytically  !
 ! D305  D(22,1,34,37)         -30.8994         calculate D2E/DX2 analytically  !
 ! D306  D(24,1,34,36)        -156.5624         calculate D2E/DX2 analytically  !
 ! D307  D(24,1,34,37)         -38.2462         calculate D2E/DX2 analytically  !
 ! D308  D(26,1,34,36)          87.4436         calculate D2E/DX2 analytically  !
 ! D309  D(26,1,34,37)        -154.2402         calculate D2E/DX2 analytically  !
 ! D310  D(30,1,34,36)         150.6248         calculate D2E/DX2 analytically  !
 ! D311  D(30,1,34,37)         -91.0589         calculate D2E/DX2 analytically  !
 ! D312  D(32,1,34,36)         173.0122         calculate D2E/DX2 analytically  !
 ! D313  D(32,1,34,37)         -68.6716         calculate D2E/DX2 analytically  !
 ! D314  D(38,1,34,36)         -30.9523         calculate D2E/DX2 analytically  !
 ! D315  D(38,1,34,37)          87.3639         calculate D2E/DX2 analytically  !
 ! D316  D(40,1,34,36)         -21.3079         calculate D2E/DX2 analytically  !
 ! D317  D(40,1,34,37)          97.0084         calculate D2E/DX2 analytically  !
 ! D318  D(42,1,34,36)           3.3189         calculate D2E/DX2 analytically  !
 ! D319  D(42,1,34,37)         121.6351         calculate D2E/DX2 analytically  !
 ! D320  D(45,1,34,36)          11.4632         calculate D2E/DX2 analytically  !
 ! D321  D(45,1,34,37)         129.7795         calculate D2E/DX2 analytically  !
 ! D322  D(46,1,34,36)         -35.0193         calculate D2E/DX2 analytically  !
 ! D323  D(46,1,34,37)          83.297          calculate D2E/DX2 analytically  !
 ! D324  D(48,1,34,36)         -37.4764         calculate D2E/DX2 analytically  !
 ! D325  D(48,1,34,37)          80.8399         calculate D2E/DX2 analytically  !
 ! D326  D(2,1,38,39)            5.9158         calculate D2E/DX2 analytically  !
 ! D327  D(2,1,38,41)          130.0094         calculate D2E/DX2 analytically  !
 ! D328  D(4,1,38,39)           23.4672         calculate D2E/DX2 analytically  !
 ! D329  D(4,1,38,41)          147.5608         calculate D2E/DX2 analytically  !
 ! D330  D(6,1,38,39)           44.9131         calculate D2E/DX2 analytically  !
 ! D331  D(6,1,38,41)          169.0067         calculate D2E/DX2 analytically  !
 ! D332  D(8,1,38,39)           61.071          calculate D2E/DX2 analytically  !
 ! D333  D(8,1,38,41)         -174.8354         calculate D2E/DX2 analytically  !
 ! D334  D(10,1,38,39)          19.704          calculate D2E/DX2 analytically  !
 ! D335  D(10,1,38,41)         143.7976         calculate D2E/DX2 analytically  !
 ! D336  D(11,1,38,39)          42.5            calculate D2E/DX2 analytically  !
 ! D337  D(11,1,38,41)         166.5936         calculate D2E/DX2 analytically  !
 ! D338  D(14,1,38,39)        -132.6926         calculate D2E/DX2 analytically  !
 ! D339  D(14,1,38,41)          -8.599          calculate D2E/DX2 analytically  !
 ! D340  D(16,1,38,39)        -111.2157         calculate D2E/DX2 analytically  !
 ! D341  D(16,1,38,41)          12.8779         calculate D2E/DX2 analytically  !
 ! D342  D(18,1,38,39)        -107.1774         calculate D2E/DX2 analytically  !
 ! D343  D(18,1,38,41)          16.9161         calculate D2E/DX2 analytically  !
 ! D344  D(19,1,38,39)         -88.9667         calculate D2E/DX2 analytically  !
 ! D345  D(19,1,38,41)          35.1268         calculate D2E/DX2 analytically  !
 ! D346  D(22,1,38,39)         -91.222          calculate D2E/DX2 analytically  !
 ! D347  D(22,1,38,41)          32.8715         calculate D2E/DX2 analytically  !
 ! D348  D(24,1,38,39)         -73.9455         calculate D2E/DX2 analytically  !
 ! D349  D(24,1,38,41)          50.148          calculate D2E/DX2 analytically  !
 ! D350  D(26,1,38,39)         109.4504         calculate D2E/DX2 analytically  !
 ! D351  D(26,1,38,41)        -126.456          calculate D2E/DX2 analytically  !
 ! D352  D(28,1,38,39)         135.4859         calculate D2E/DX2 analytically  !
 ! D353  D(28,1,38,41)        -100.4206         calculate D2E/DX2 analytically  !
 ! D354  D(30,1,38,39)         154.0807         calculate D2E/DX2 analytically  !
 ! D355  D(30,1,38,41)         -81.8258         calculate D2E/DX2 analytically  !
 ! D356  D(32,1,38,39)        -171.5098         calculate D2E/DX2 analytically  !
 ! D357  D(32,1,38,41)         -47.4162         calculate D2E/DX2 analytically  !
 ! D358  D(34,1,38,39)         151.9821         calculate D2E/DX2 analytically  !
 ! D359  D(34,1,38,41)         -83.9243         calculate D2E/DX2 analytically  !
 ! D360  D(42,1,38,39)          94.5588         calculate D2E/DX2 analytically  !
 ! D361  D(42,1,38,41)        -141.3477         calculate D2E/DX2 analytically  !
 ! D362  D(45,1,38,39)         104.5894         calculate D2E/DX2 analytically  !
 ! D363  D(45,1,38,41)        -131.317          calculate D2E/DX2 analytically  !
 ! D364  D(46,1,38,39)         157.9526         calculate D2E/DX2 analytically  !
 ! D365  D(46,1,38,41)         -77.9538         calculate D2E/DX2 analytically  !
 ! D366  D(48,1,38,39)         158.3493         calculate D2E/DX2 analytically  !
 ! D367  D(48,1,38,41)         -77.5572         calculate D2E/DX2 analytically  !
 ! D368  D(2,1,42,43)            4.9455         calculate D2E/DX2 analytically  !
 ! D369  D(2,1,42,44)         -133.1475         calculate D2E/DX2 analytically  !
 ! D370  D(4,1,42,43)           27.8764         calculate D2E/DX2 analytically  !
 ! D371  D(4,1,42,44)         -110.2165         calculate D2E/DX2 analytically  !
 ! D372  D(6,1,42,43)           40.0235         calculate D2E/DX2 analytically  !
 ! D373  D(6,1,42,44)          -98.0695         calculate D2E/DX2 analytically  !
 ! D374  D(8,1,42,43)           55.3213         calculate D2E/DX2 analytically  !
 ! D375  D(8,1,42,44)          -82.7716         calculate D2E/DX2 analytically  !
 ! D376  D(10,1,42,43)          41.9415         calculate D2E/DX2 analytically  !
 ! D377  D(10,1,42,44)         -96.1515         calculate D2E/DX2 analytically  !
 ! D378  D(11,1,42,43)          61.5489         calculate D2E/DX2 analytically  !
 ! D379  D(11,1,42,44)         -76.544          calculate D2E/DX2 analytically  !
 ! D380  D(14,1,42,43)        -153.0914         calculate D2E/DX2 analytically  !
 ! D381  D(14,1,42,44)          68.8156         calculate D2E/DX2 analytically  !
 ! D382  D(16,1,42,43)        -123.7261         calculate D2E/DX2 analytically  !
 ! D383  D(16,1,42,44)          98.1809         calculate D2E/DX2 analytically  !
 ! D384  D(18,1,42,43)        -109.9379         calculate D2E/DX2 analytically  !
 ! D385  D(18,1,42,44)         111.9691         calculate D2E/DX2 analytically  !
 ! D386  D(19,1,42,43)         -91.1823         calculate D2E/DX2 analytically  !
 ! D387  D(19,1,42,44)         130.7247         calculate D2E/DX2 analytically  !
 ! D388  D(22,1,42,43)         -98.993          calculate D2E/DX2 analytically  !
 ! D389  D(22,1,42,44)         122.914          calculate D2E/DX2 analytically  !
 ! D390  D(24,1,42,43)         -67.3475         calculate D2E/DX2 analytically  !
 ! D391  D(24,1,42,44)         154.5595         calculate D2E/DX2 analytically  !
 ! D392  D(26,1,42,43)         104.7023         calculate D2E/DX2 analytically  !
 ! D393  D(26,1,42,44)         -33.3907         calculate D2E/DX2 analytically  !
 ! D394  D(28,1,42,43)         122.5909         calculate D2E/DX2 analytically  !
 ! D395  D(28,1,42,44)         -15.5021         calculate D2E/DX2 analytically  !
 ! D396  D(30,1,42,43)         121.1133         calculate D2E/DX2 analytically  !
 ! D397  D(30,1,42,44)         -16.9797         calculate D2E/DX2 analytically  !
 ! D398  D(32,1,42,43)         134.6892         calculate D2E/DX2 analytically  !
 ! D399  D(32,1,42,44)          -3.4038         calculate D2E/DX2 analytically  !
 ! D400  D(34,1,42,43)         144.9161         calculate D2E/DX2 analytically  !
 ! D401  D(34,1,42,44)           6.8231         calculate D2E/DX2 analytically  !
 ! D402  D(38,1,42,43)         -87.8341         calculate D2E/DX2 analytically  !
 ! D403  D(38,1,42,44)         134.0729         calculate D2E/DX2 analytically  !
 ! D404  D(46,1,42,43)        -150.4572         calculate D2E/DX2 analytically  !
 ! D405  D(46,1,42,44)          71.4498         calculate D2E/DX2 analytically  !
 ! D406  D(48,1,42,43)        -170.2844         calculate D2E/DX2 analytically  !
 ! D407  D(48,1,42,44)          51.6226         calculate D2E/DX2 analytically  !
 ! D408  D(2,1,46,47)          110.1058         calculate D2E/DX2 analytically  !
 ! D409  D(4,1,46,47)          139.2654         calculate D2E/DX2 analytically  !
 ! D410  D(6,1,46,47)          152.2457         calculate D2E/DX2 analytically  !
 ! D411  D(8,1,46,47)          165.2551         calculate D2E/DX2 analytically  !
 ! D412  D(10,1,46,47)         165.3732         calculate D2E/DX2 analytically  !
 ! D413  D(11,1,46,47)        -166.2455         calculate D2E/DX2 analytically  !
 ! D414  D(14,1,46,47)         -40.5768         calculate D2E/DX2 analytically  !
 ! D415  D(16,1,46,47)         -19.0532         calculate D2E/DX2 analytically  !
 ! D416  D(18,1,46,47)          -0.3051         calculate D2E/DX2 analytically  !
 ! D417  D(19,1,46,47)          17.1554         calculate D2E/DX2 analytically  !
 ! D418  D(22,1,46,47)         -12.7291         calculate D2E/DX2 analytically  !
 ! D419  D(24,1,46,47)           4.0172         calculate D2E/DX2 analytically  !
 ! D420  D(26,1,46,47)        -144.7122         calculate D2E/DX2 analytically  !
 ! D421  D(28,1,46,47)        -122.8991         calculate D2E/DX2 analytically  !
 ! D422  D(30,1,46,47)        -107.8106         calculate D2E/DX2 analytically  !
 ! D423  D(32,1,46,47)         -89.6536         calculate D2E/DX2 analytically  !
 ! D424  D(34,1,46,47)        -111.7538         calculate D2E/DX2 analytically  !
 ! D425  D(38,1,46,47)          74.2232         calculate D2E/DX2 analytically  !
 ! D426  D(42,1,46,47)         141.4892         calculate D2E/DX2 analytically  !
 ! D427  D(45,1,46,47)         168.8622         calculate D2E/DX2 analytically  !
 ! D428  D(3,2,4,6)           -174.7818         calculate D2E/DX2 analytically  !
 ! D429  D(3,2,4,10)             1.4607         calculate D2E/DX2 analytically  !
 ! D430  D(5,2,4,6)              3.4992         calculate D2E/DX2 analytically  !
 ! D431  D(5,2,4,10)           179.7418         calculate D2E/DX2 analytically  !
 ! D432  D(2,4,6,7)             -6.9255         calculate D2E/DX2 analytically  !
 ! D433  D(2,4,6,8)            113.3124         calculate D2E/DX2 analytically  !
 ! D434  D(2,4,6,9)           -127.0828         calculate D2E/DX2 analytically  !
 ! D435  D(10,4,6,7)           176.6404         calculate D2E/DX2 analytically  !
 ! D436  D(10,4,6,8)           -63.1218         calculate D2E/DX2 analytically  !
 ! D437  D(10,4,6,9)            56.483          calculate D2E/DX2 analytically  !
 ! D438  D(2,4,10,11)         -133.8544         calculate D2E/DX2 analytically  !
 ! D439  D(2,4,10,12)          -14.0385         calculate D2E/DX2 analytically  !
 ! D440  D(2,4,10,13)          106.7442         calculate D2E/DX2 analytically  !
 ! D441  D(6,4,10,11)           42.5686         calculate D2E/DX2 analytically  !
 ! D442  D(6,4,10,12)          162.3845         calculate D2E/DX2 analytically  !
 ! D443  D(6,4,10,13)          -76.8328         calculate D2E/DX2 analytically  !
 ! D444  D(15,14,16,18)          0.2765         calculate D2E/DX2 analytically  !
 ! D445  D(15,14,16,22)        178.3471         calculate D2E/DX2 analytically  !
 ! D446  D(17,14,16,18)       -178.4235         calculate D2E/DX2 analytically  !
 ! D447  D(17,14,16,22)         -0.3529         calculate D2E/DX2 analytically  !
 ! D448  D(14,16,18,19)        139.3162         calculate D2E/DX2 analytically  !
 ! D449  D(14,16,18,20)       -101.3142         calculate D2E/DX2 analytically  !
 ! D450  D(14,16,18,21)         19.4665         calculate D2E/DX2 analytically  !
 ! D451  D(22,16,18,19)        -38.8461         calculate D2E/DX2 analytically  !
 ! D452  D(22,16,18,20)         80.5235         calculate D2E/DX2 analytically  !
 ! D453  D(22,16,18,21)       -158.6957         calculate D2E/DX2 analytically  !
 ! D454  D(14,16,22,23)        117.2865         calculate D2E/DX2 analytically  !
 ! D455  D(14,16,22,24)       -123.3206         calculate D2E/DX2 analytically  !
 ! D456  D(14,16,22,25)         -3.3864         calculate D2E/DX2 analytically  !
 ! D457  D(18,16,22,23)        -64.5507         calculate D2E/DX2 analytically  !
 ! D458  D(18,16,22,24)         54.8422         calculate D2E/DX2 analytically  !
 ! D459  D(18,16,22,25)        174.7764         calculate D2E/DX2 analytically  !
 ! D460  D(27,26,28,30)       -176.8658         calculate D2E/DX2 analytically  !
 ! D461  D(27,26,28,34)         -1.2547         calculate D2E/DX2 analytically  !
 ! D462  D(29,26,28,30)          3.9351         calculate D2E/DX2 analytically  !
 ! D463  D(29,26,28,34)        179.5463         calculate D2E/DX2 analytically  !
 ! D464  D(26,28,30,31)        109.8002         calculate D2E/DX2 analytically  !
 ! D465  D(26,28,30,32)       -130.8975         calculate D2E/DX2 analytically  !
 ! D466  D(26,28,30,33)        -10.991          calculate D2E/DX2 analytically  !
 ! D467  D(34,28,30,31)        -65.9861         calculate D2E/DX2 analytically  !
 ! D468  D(34,28,30,32)         53.3162         calculate D2E/DX2 analytically  !
 ! D469  D(34,28,30,33)        173.2227         calculate D2E/DX2 analytically  !
 ! D470  D(26,28,34,35)        -93.6797         calculate D2E/DX2 analytically  !
 ! D471  D(26,28,34,36)         26.9133         calculate D2E/DX2 analytically  !
 ! D472  D(26,28,34,37)        146.6945         calculate D2E/DX2 analytically  !
 ! D473  D(30,28,34,35)         82.13           calculate D2E/DX2 analytically  !
 ! D474  D(30,28,34,36)       -157.2771         calculate D2E/DX2 analytically  !
 ! D475  D(30,28,34,37)        -37.4958         calculate D2E/DX2 analytically  !
 ! D476  D(39,38,40,42)          0.9046         calculate D2E/DX2 analytically  !
 ! D477  D(39,38,40,46)       -173.1499         calculate D2E/DX2 analytically  !
 ! D478  D(41,38,40,42)        179.2806         calculate D2E/DX2 analytically  !
 ! D479  D(41,38,40,46)          5.2261         calculate D2E/DX2 analytically  !
 ! D480  D(38,40,42,43)        -15.8252         calculate D2E/DX2 analytically  !
 ! D481  D(38,40,42,44)        104.9666         calculate D2E/DX2 analytically  !
 ! D482  D(38,40,42,45)       -135.7059         calculate D2E/DX2 analytically  !
 ! D483  D(46,40,42,43)        158.5316         calculate D2E/DX2 analytically  !
 ! D484  D(46,40,42,44)        -80.6766         calculate D2E/DX2 analytically  !
 ! D485  D(46,40,42,45)         38.6509         calculate D2E/DX2 analytically  !
 ! D486  D(38,40,46,47)         -6.3703         calculate D2E/DX2 analytically  !
 ! D487  D(38,40,46,48)        113.7505         calculate D2E/DX2 analytically  !
 ! D488  D(38,40,46,49)       -126.8236         calculate D2E/DX2 analytically  !
 ! D489  D(42,40,46,47)        179.2662         calculate D2E/DX2 analytically  !
 ! D490  D(42,40,46,48)        -60.613          calculate D2E/DX2 analytically  !
 ! D491  D(42,40,46,49)         58.8129         calculate D2E/DX2 analytically  !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 06:06:26 2016, MaxMem=  2952790016 cpu:         0.6
 (Enter /mnt/data/applications/G09/g09/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1         55           0       -1.783214   -0.576534    1.629673
      2          6           0       -2.040529    1.108401   -1.409999
      3          8           0       -2.557804    0.119754   -1.958218
      4          7           0       -0.753894    1.187907   -0.972894
      5          1           0       -2.617107    2.031188   -1.198340
      6          6           0       -0.265567    2.354959   -0.237503
      7          1           0       -1.038590    3.136048   -0.229755
      8          1           0       -0.022620    2.070911    0.799357
      9          1           0        0.644571    2.747016   -0.719561
     10          6           0        0.189629    0.080328   -1.141771
     11          1           0        0.728967   -0.085803   -0.196044
     12          1           0       -0.361302   -0.829573   -1.413019
     13          1           0        0.924081    0.318474   -1.928730
     14          6           0       -2.084480   -3.938193    2.693938
     15          8           0       -2.232838   -3.739060    3.911699
     16          7           0       -2.992284   -3.634029    1.726923
     17          1           0       -1.155104   -4.376579    2.278792
     18          6           0       -4.279920   -3.012084    2.048353
     19          1           0       -4.504001   -2.245239    1.290473
     20          1           0       -5.087226   -3.763382    2.040236
     21          1           0       -4.221472   -2.546057    3.040120
     22          6           0       -2.714438   -3.873521    0.310279
     23          1           0       -3.427565   -4.606541   -0.101360
     24          1           0       -2.819075   -2.930290   -0.251252
     25          1           0       -1.689952   -4.253451    0.193004
     26          6           0        1.610329    0.360859    2.574297
     27          8           0        1.463622    1.389428    3.255762
     28          7           0        1.206573   -0.888503    2.933177
     29          1           0        2.087925    0.380557    1.574851
     30          6           0        1.481832   -2.056255    2.094560
     31          1           0        2.233024   -2.705994    2.574417
     32          1           0        0.557255   -2.640027    1.955248
     33          1           0        1.852537   -1.725525    1.114465
     34          6           0        0.559460   -1.134756    4.224290
     35          1           0        1.301006   -1.439315    4.982551
     36          1           0        0.053697   -0.219502    4.556959
     37          1           0       -0.177435   -1.941912    4.105929
     38          6           0       -4.602137    0.974178    2.911771
     39          8           0       -4.855211    1.526532    1.827090
     40          7           0       -3.545059    1.266920    3.717897
     41          1           0       -5.225188    0.148978    3.310786
     42          6           0       -2.580007    2.315878    3.375253
     43          1           0       -2.684227    2.578442    2.314582
     44          1           0       -2.748012    3.211371    3.995779
     45          1           0       -1.561714    1.942205    3.564232
     46          6           0       -3.239768    0.467807    4.905160
     47          1           0       -4.034564   -0.272701    5.069324
     48          1           0       -2.277729   -0.054580    4.764526
     49          1           0       -3.159703    1.121395    5.788588
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  Cs   0.000000
     2  C    3.484943   0.000000
     3  O    3.736009   1.243198   0.000000
     4  N    3.308490   1.361180   2.316442   0.000000
     5  H    3.936147   1.108502   2.057793   2.057550   0.000000
     6  C    3.792526   2.465592   3.634742   1.463309   2.560816
     7  H    4.218436   2.551119   3.793893   2.104414   2.156523
     8  H    3.286043   3.143188   4.223552   2.110766   3.274711
     9  H    4.739095   3.220485   4.323422   2.109669   3.373453
    10  C    3.464748   2.470321   2.866448   1.464748   3.418600
    11  H    3.144060   3.251141   3.735020   2.103500   4.084417
    12  H    3.368061   2.564285   2.454197   2.101919   3.649479
    13  H    4.559903   3.111588   3.487676   2.117814   4.000859
    14  C    3.538951   6.504794   6.191407   6.441508   7.146120
    15  O    3.925733   7.201065   7.032210   7.093768   7.717249
    16  N    3.289313   5.765133   5.278250   5.962422   6.386909
    17  H    3.905921   6.669045   6.335363   6.457394   7.435548
    18  C    3.512939   5.826961   5.369051   6.261048   6.224191
    19  H    3.209722   4.960660   4.464848   5.565305   5.295506
    20  H    4.608802   6.702295   6.120813   7.236849   7.082859
    21  H    3.437076   6.157528   5.904043   6.486207   6.441250
    22  C    3.671253   5.313479   4.595308   5.577483   6.095161
    23  H    4.684156   6.024697   5.151919   6.440786   6.776404
    24  H    3.186071   4.273155   3.504963   4.663184   5.055099
    25  H    3.948725   5.607315   4.950338   5.643040   6.503241
    26  C    3.645155   5.455474   6.162399   4.342364   5.907115
    27  O    4.129300   5.841864   6.705932   4.779072   6.074803
    28  N    3.276472   5.778795   6.254027   4.838626   6.341495
    29  H    3.988075   5.146185   5.842379   3.901122   5.705480
    30  C    3.614722   5.891011   6.121983   4.993229   6.659706
    31  H    4.642985   6.977711   7.175073   6.055375   7.758761
    32  H    3.137163   5.667811   5.712722   4.994618   6.468535
    33  H    3.847636   5.436912   5.683092   4.431550   6.280101
    34  C    3.540024   6.598250   7.036656   5.842122   7.036952
    35  H    4.636658   7.649929   8.092922   6.825851   8.099347
    36  H    3.474294   6.461710   7.027273   5.763010   6.732181
    37  H    3.251865   6.572746   6.833045   5.993540   7.062067
    38  C    3.463353   5.025689   5.350340   5.472228   4.685149
    39  O    3.728140   4.309990   4.646037   4.977487   3.796974
    40  N    3.295923   5.346407   5.874432   5.458972   5.061086
    41  H    3.898679   5.774804   5.905776   6.278675   5.538683
    42  C    3.471020   4.964642   5.767960   4.849061   4.582595
    43  H    3.351835   4.055597   4.931323   4.057989   3.555926
    44  H    4.569193   5.843411   6.711509   5.723515   5.328118
    45  H    3.183651   5.066307   5.900083   4.669803   4.878921
    46  C    3.733767   6.459858   6.905952   6.422588   6.331238
    47  H    4.122147   6.918472   7.191744   7.028839   6.826470
    48  H    3.216253   6.287571   6.730833   6.064968   6.326245
    49  H    4.698326   7.285079   7.834447   7.177046   7.066774
                    6          7          8          9         10
     6  C    0.000000
     7  H    1.098965   0.000000
     8  H    1.102173   1.796046   0.000000
     9  H    1.102016   1.795629   1.791472   0.000000
    10  C    2.489749   3.417268   2.788449   2.737967   0.000000
    11  H    2.635932   3.675012   2.491410   2.882024   1.101311
    12  H    3.395916   4.193445   3.663621   3.779505   1.097734
    13  H    2.902203   3.831098   3.377830   2.727276   1.102469
    14  C    7.176737   7.725720   6.629482   7.986972   6.002728
    15  O    7.630407   8.114492   6.951799   8.473325   6.781861
    16  N    6.867454   7.312964   6.498124   7.741430   5.670134
    17  H    7.241314   7.921234   6.711287   7.935652   5.776900
    18  C    7.081336   7.314063   6.746957   8.067168   6.302124
    19  H    6.439010   6.578633   6.241243   7.447861   5.775312
    20  H    8.116070   8.315434   7.824896   9.102487   7.262539
    21  H    7.100138   7.287602   6.630820   8.113582   6.621475
    22  C    6.714983   7.227320   6.543802   7.495000   5.116148
    23  H    7.647173   8.103787   7.549391   8.428480   6.011097
    24  H    5.869791   6.322265   5.825457   6.666930   4.348464
    25  H    6.773868   7.430187   6.568501   7.435678   4.908777
    26  C    3.924493   4.751963   2.956555   4.180423   3.988264
    27  O    4.015625   4.632555   2.950807   4.279846   4.761838
    28  N    4.768695   5.589445   3.849966   5.184143   4.310222
    29  H    3.566765   4.541412   2.813021   3.598295   3.327717
    30  C    5.286845   6.222135   4.579784   5.629538   4.087617
    31  H    6.305799   7.259221   5.572934   6.565729   5.074358
    32  H    5.516800   6.378401   4.885210   6.015186   4.138479
    33  H    4.792132   5.813813   4.245990   4.982615   3.334211
    34  C    5.724192   6.374326   4.727080   6.286259   5.514328
    35  H    6.640755   7.319548   5.618967   7.104249   6.407168
    36  H    5.451298   5.946884   4.401294   6.082025   5.708231
    37  H    6.110341   6.732415   5.201936   6.778429   5.635827
    38  C    5.534467   5.219362   5.161114   6.622497   6.339653
    39  O    5.100360   4.624689   4.970565   6.182444   6.029598
    40  N    5.252056   5.035870   4.644552   6.279707   6.242778
    41  H    6.484948   6.243846   6.088334   7.579417   7.010721
    42  C    4.290707   4.005587   3.638059   5.229845   5.750832
    43  H    3.523209   3.081022   3.104456   4.507254   5.142567
    44  H    4.981632   4.558830   4.352646   5.827493   6.695341
    45  H    4.037766   4.011640   3.167004   4.885314   5.355395
    46  C    6.233314   6.191287   5.456886   7.205579   6.962491
    47  H    7.019427   6.976795   6.310375   8.032695   7.519717
    48  H    5.905503   6.054619   5.032474   6.816449   6.402374
    49  H    6.797903   6.691666   5.969531   7.711754   7.767350
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.795246   0.000000
    13  H    1.789892   1.798939   0.000000
    14  C    5.577490   5.431386   6.967046   0.000000
    15  O    6.244368   6.349834   7.780768   1.242822   0.000000
    16  N    5.489574   4.964502   6.657627   1.360787   2.315391
    17  H    5.299556   5.180815   6.638507   1.108273   2.057749
    18  C    6.220080   5.665688   7.347887   2.468687   2.862010
    19  H    5.852935   5.145380   6.811752   3.269540   3.776309
    20  H    7.235581   6.547256   8.279496   3.078046   3.413283
    21  H    6.405658   6.138215   7.705306   2.573833   2.477412
    22  C    5.143948   4.215759   5.985383   2.466345   3.635966
    23  H    6.141889   5.038641   6.821428   3.172421   4.276043
    24  H    4.547829   3.435602   5.232554   3.198381   4.281115
    25  H    4.834441   4.008436   5.677801   2.551413   3.793154
    26  C    2.941274   4.604687   4.555215   5.669901   5.776497
    27  O    3.825048   5.481955   5.321373   6.425591   6.355743
    28  N    3.265648   4.620728   5.017443   4.493203   4.573044
    29  H    2.280423   4.048518   3.692353   6.108431   6.411014
    30  C    3.113896   4.147891   4.705028   4.076706   4.464594
    31  H    4.099152   5.113818   5.580240   4.491486   4.774880
    32  H    3.343890   3.932774   4.896180   3.034742   3.580530
    33  H    2.380867   3.477353   3.781666   4.784427   5.345010
    34  C    4.546249   5.720156   6.332810   4.146283   3.831063
    35  H    5.383035   6.636141   7.141268   4.789954   4.350127
    36  H    4.802593   6.015401   6.565908   4.676678   4.246398
    37  H    4.772177   5.632929   6.537568   3.100915   2.737179
    38  C    6.261210   6.319969   7.375601   5.524259   5.369176
    39  O    6.154327   6.020362   6.997557   6.188020   6.240905
    40  N    5.951143   6.392018   7.263413   5.502271   5.178737
    41  H    6.914112   6.850495   8.080518   5.191292   4.942883
    42  C    5.428770   6.143620   6.663370   6.310558   6.088561
    43  H    5.005131   5.559277   6.011077   6.555161   6.531873
    44  H    6.366484   7.161055   7.546716   7.297351   6.970005
    45  H    4.847651   5.822094   6.244063   5.967393   5.731310
    46  C    6.486881   7.063154   8.003874   5.063302   4.438311
    47  H    7.102835   7.471528   8.597117   4.783421   4.074550
    48  H    5.800728   6.514243   7.429026   4.405352   3.782158
    49  H    7.238433   7.968718   8.768066   6.027636   5.292052
                   16         17         18         19         20
    16  N    0.000000
    17  H    2.056981   0.000000
    18  C    1.465653   3.417518   0.000000
    19  H    2.098693   4.090782   1.101202   0.000000
    20  H    2.122187   3.986791   1.102841   1.790825   0.000000
    21  H    2.102159   3.651444   1.097360   1.797660   1.797548
    22  C    1.463364   2.561178   2.492732   2.610482   2.938538
    23  H    2.116098   3.298800   2.808927   2.944768   2.837573
    24  H    2.106757   3.355841   2.725609   2.384363   3.330085
    25  H    2.105388   2.156787   3.419247   3.627151   3.897935
    26  C    6.153147   5.493475   6.807966   6.769415   7.883643
    27  O    6.886768   6.407733   7.336172   7.258491   8.422741
    28  N    5.159783   4.262911   5.949295   6.095069   6.976688
    29  H    6.476770   5.800269   7.230745   7.101349   8.298892
    30  C    4.758387   3.517283   5.840679   6.042555   6.787471
    31  H    5.374323   3.789151   6.541321   6.873741   7.415490
    32  H    3.693156   2.460176   4.852356   5.119970   5.755807
    33  H    5.243070   4.174883   6.335173   6.380176   7.291792
    34  C    5.009800   4.151399   5.628380   5.956433   6.600367
    35  H    5.817923   4.687251   6.498451   6.926692   7.407295
    36  H    5.380158   4.892090   5.733398   5.962060   6.732168
    37  H    4.055404   3.197166   4.712671   5.170877   5.629466
    38  C    5.023053   6.396351   4.091405   3.605952   4.841422
    39  O    5.487433   6.981515   4.580278   3.825907   5.299288
    40  N    5.318725   6.295395   4.651588   4.375753   5.522387
    41  H    4.669649   6.173432   3.532644   3.214662   4.115810
    42  C    6.187758   6.929759   5.747829   5.371392   6.710128
    43  H    6.247802   7.121223   5.819887   5.256260   6.787370
    44  H    7.215738   7.941183   6.698552   6.338515   7.612047
    45  H    6.042899   6.461016   5.850771   5.600154   6.877902
    46  C    5.194949   5.891665   4.620920   4.693066   5.433586
    47  H    4.853505   5.737611   4.085423   4.288472   4.740077
    48  H    4.748691   5.110659   4.487002   4.671650   5.391683
    49  H    6.256133   6.823841   5.685938   5.777058   6.451863
                   21         22         23         24         25
    21  H    0.000000
    22  C    3.389003   0.000000
    23  H    3.839893   1.102414   0.000000
    24  H    3.598261   1.102701   1.789566   0.000000
    25  H    4.174908   1.098941   1.797393   1.795281   0.000000
    26  C    6.532768   6.462148   7.564032   6.199597   6.152582
    27  O    6.917720   7.336940   8.434787   7.021439   7.153153
    28  N    5.676495   5.582495   6.671391   5.524067   5.217401
    29  H    7.107783   6.539038   7.622432   6.194756   6.136439
    30  C    5.801868   4.908645   5.952160   4.976401   4.301604
    31  H    6.473251   5.564784   6.543251   5.792963   4.843087
    32  H    4.901225   3.864117   4.896489   4.043822   3.280027
    33  H    6.424563   5.110563   6.136608   5.014040   4.448452
    34  C    5.123607   5.791263   6.830879   5.888031   5.571120
    35  H    5.957826   6.624143   7.631308   6.825743   6.309117
    36  H    5.098111   6.248897   7.284589   6.222546   6.193316
    37  H    4.225539   4.957263   5.946837   5.190392   4.789770
    38  C    3.543083   5.816473   6.450039   5.331876   6.572718
    39  O    4.296400   6.003682   6.585718   5.322464   6.789499
    40  N    3.931375   6.223015   7.007002   5.822179   6.807406
    41  H    2.888585   5.611363   6.122838   5.287663   6.449793
    42  C    5.142484   6.908024   7.792630   6.382082   7.353569
    43  H    5.399076   6.756179   7.616646   6.078471   7.222495
    44  H    6.019331   7.986221   8.852575   7.467417   8.444178
    45  H    5.243426   6.763110   7.733308   6.315068   7.054628
    46  C    3.677703   6.343188   7.130885   6.189720   6.848110
    47  H    3.052991   6.112049   6.773964   6.070315   6.717296
    48  H    3.599885   5.883480   6.761606   5.806960   6.234966
    49  H    4.704427   7.426931   8.220248   7.280923   7.896815
                   26         27         28         29         30
    26  C    0.000000
    27  O    1.242527   0.000000
    28  N    1.361146   2.314975   0.000000
    29  H    1.107870   2.057434   2.057266   0.000000
    30  C    2.467609   3.636132   1.463793   2.564274   0.000000
    31  H    3.129431   4.222404   2.117920   3.247613   1.103048
    32  H    3.239985   4.330052   2.108505   3.407577   1.102289
    33  H    2.557884   3.799914   2.103708   2.168628   1.098814
    34  C    2.462451   2.850800   1.465048   3.413488   2.497134
    35  H    3.022581   3.318137   2.124205   3.942536   2.958683
    36  H    2.586672   2.503928   2.100798   3.659388   3.387719
    37  H    3.293137   3.809683   2.097736   4.114860   2.609951
    38  C    6.251783   6.089679   6.100094   6.848114   6.845877
    39  O    6.612135   6.479780   6.618236   7.041592   7.284642
    40  N    5.357873   5.031448   5.276328   6.091699   6.240861
    41  H    6.878343   6.803082   6.525833   7.519888   7.164242
    42  C    4.692819   4.150123   4.980128   5.364373   6.103626
    43  H    4.840283   4.416359   5.247923   5.305783   6.235773
    44  H    5.398256   4.648113   5.794552   6.104152   7.018126
    45  H    3.680012   3.090853   4.009308   4.440298   5.235532
    46  C    5.382175   5.068705   5.049578   6.283540   6.046806
    47  H    6.204142   6.023432   5.693141   7.079757   6.516204
    48  H    4.481817   4.284768   4.023633   5.424233   5.026899
    49  H    5.802008   5.278464   5.590834   6.770673   6.729573
                   31         32         33         34         35
    31  H    0.000000
    32  H    1.787715   0.000000
    33  H    1.799320   1.794711   0.000000
    34  C    2.826957   2.722939   3.419366   0.000000
    35  H    2.876151   3.340575   3.917677   1.103452   0.000000
    36  H    3.855202   3.589068   4.165897   1.097340   1.795787
    37  H    2.956292   2.377512   3.621666   1.099330   1.790771
    38  C    7.770258   6.371557   7.223678   5.728211   6.705235
    39  O    8.289503   6.831649   7.488497   6.492125   7.526765
    40  N    7.104776   5.932971   6.698256   4.782422   5.692750
    41  H    8.019852   6.561454   7.644068   5.995383   6.921610
    42  C    7.001843   6.034883   6.410268   4.741729   5.634460
    43  H    7.223029   6.153758   6.367624   5.287375   6.256398
    44  H    7.864235   7.023348   7.337572   5.466297   6.244769
    45  H    6.081573   5.298652   5.577698   3.795095   4.652040
    46  C    6.742168   5.725207   6.716520   4.179226   4.925620
    47  H    7.171342   6.032123   7.239445   4.749977   5.462310
    48  H    5.672166   4.755387   5.759696   3.083550   3.843484
    49  H    7.352640   6.531353   7.421249   4.622707   5.206233
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.795424   0.000000
    38  C    5.080188   5.432088   0.000000
    39  O    5.882024   6.253383   1.243252   0.000000
    40  N    3.983029   4.667769   1.361231   2.314962   0.000000
    41  H    5.436483   5.521221   1.108314   2.058128   2.058729
    42  C    3.842002   4.943179   2.470624   2.862941   1.465962
    43  H    4.511427   5.470515   2.570734   2.461164   2.104856
    44  H    4.464906   5.759889   3.101271   3.461529   2.119763
    45  H    2.875420   4.158850   3.256832   3.746674   2.100782
    46  C    3.382389   3.977864   2.466994   3.633878   1.463344
    47  H    4.120586   4.311826   2.555754   3.797734   2.106276
    48  H    2.346451   2.899484   3.145459   4.215668   2.109009
    49  H    3.693353   4.594466   3.221547   4.328088   2.111264
                   41         42         43         44         45
    41  H    0.000000
    42  C    3.420028   0.000000
    43  H    3.653929   1.097645   0.000000
    44  H    3.997983   1.102355   1.797524   0.000000
    45  H    4.086678   1.101029   1.796235   1.790060   0.000000
    46  C    2.566237   2.488225   3.387403   2.931883   2.605341
    47  H    2.165145   3.418531   4.188201   3.866067   3.645010
    48  H    3.292766   2.764149   3.619429   3.388004   2.437321
    49  H    3.369173   2.754455   3.797076   2.784179   2.859206
                   46         47         48         49
    46  C    0.000000
    47  H    1.098637   0.000000
    48  H    1.103715   1.796371   0.000000
    49  H    1.101831   1.796170   1.791508   0.000000
 Symmetry turned off by external request.
 Stoichiometry    C12H28CsN4O4(1+)
 Framework group  C1[X(C12H28CsN4O4)]
 Deg. of freedom   141
 Full point group                 C1      NOp   1
 Rotational constants (GHZ):      0.2165233      0.1953421      0.1844780
 Leave Link  202 at Mon Nov 14 06:06:26 2016, MaxMem=  2952790016 cpu:         0.0
 (Enter /mnt/data/applications/G09/g09/l301.exe)
 Basis read from chk: "/scratch/Gau-3176.chk" (5D, 7F)
 Pseudo-potential data read from chk file.
   428 basis functions,   777 primitive gaussians,   448 cartesian basis functions
    84 alpha electrons       84 beta electrons
       nuclear repulsion energy      1851.4387471399 Hartrees.
 IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX=  0.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 NAtoms=   49 NActive=   49 NUniq=   49 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned off.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.1853571044 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1851.2533900355 Hartrees.
 No density basis found on file 20724.
 Force inversion solution in PCM.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM (using non-symmetric T matrix).
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : Matrix inversion.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   49.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: Karplus/York (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 2nd derivatives      : Analytical E(r).r(xy)/FMM algorithm (CHGder, D2EAlg=3).
                        Cavity 2nd derivative terms included.
 Solvent              : n,n-DiMethylFormamide, Eps=  37.219000 Eps(inf)=   2.046330
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      49
 GePol: Total number of spheres                      =      49
 GePol: Number of exposed spheres                    =      49 (100.00%)
 GePol: Number of points                             =    4050
 GePol: Average weight of points                     =       0.12
 GePol: Minimum weight of points                     =   0.54D-09
 GePol: Maximum weight of points                     =    0.17992
 GePol: Number of points with low weight             =     233
 GePol: Fraction of low-weight points (<1% of avg)   =       5.75%
 GePol: Cavity surface area                          =    468.317 Ang**2
 GePol: Cavity volume                                =    458.545 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =        -0.0040332011 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =     1851.2493568344 Hartrees.
 Leave Link  301 at Mon Nov 14 06:06:27 2016, MaxMem=  2952790016 cpu:         1.9
 (Enter /mnt/data/applications/G09/g09/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   428 RedAO= T EigKep=  1.45D-04  NBF=   428
 NBsUse=   428 1.00D-06 EigRej= -1.00D+00 NBFU=   428
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  55.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   447   447   447   447   447 MxSgAt=    49 MxSgA2=    49.
 Leave Link  302 at Mon Nov 14 06:06:28 2016, MaxMem=  2952790016 cpu:        13.9
 (Enter /mnt/data/applications/G09/g09/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Mon Nov 14 06:06:28 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l401.exe)
 Initial guess from the checkpoint file:  "/scratch/Gau-3176.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Nov 14 06:06:29 2016, MaxMem=  2952790016 cpu:         8.2
 (Enter /mnt/data/applications/G09/g09/l502.exe)
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 Two-electron integral symmetry not used.
 IVT=      628824 IEndB=      628824 NGot=  2952790016 MDV=  2952378985
 LenX=  2952378985 LenY=  2952177833
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Inv3:  Mode=1 IEnd=    49207500.
 Iteration    1 A*A^-1 deviation from unit magnitude is 1.11D-14 for   3012.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.17D-15 for   2252    506.
 Iteration    1 A^-1*A deviation from unit magnitude is 9.55D-15 for   1881.
 Iteration    1 A^-1*A deviation from orthogonality  is 8.67D-11 for   1813   1794.
 E= -1013.45147993883    
 DIIS: error= 1.84D-08 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1013.45147993883     IErMin= 1 ErrMin= 1.84D-08
 ErrMax= 1.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.32D-13 BMatP= 3.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.188 Goal=   None    Shift=    0.000
 RMSDP=4.18D-09 MaxDP=2.29D-07              OVMax= 2.05D-07

 Error on total polarization charges =  0.04308
 SCF Done:  E(RB97D) =  -1013.45147994     A.U. after    1 cycles
            NFock=  1  Conv=0.42D-08     -V/T= 2.0213
 KE= 9.923515995979D+02 PE=-6.034026646157D+03 EE= 2.176974209786D+03
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =      -2.53
 (included in total energy above)
 Leave Link  502 at Mon Nov 14 06:07:03 2016, MaxMem=  2952790016 cpu:       356.9
 (Enter /mnt/data/applications/G09/g09/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   428
 NBasis=   428 NAE=    84 NBE=    84 NFC=     0 NFV=     0
 NROrb=    428 NOA=    84 NOB=    84 NVA=   344 NVB=   344

 **** Warning!!: The largest alpha MO coefficient is  0.20110733D+02

 Leave Link  801 at Mon Nov 14 06:07:04 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l1101.exe)
 Using compressed storage, NAtomX=    49.
 Will process     50 centers per pass.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 R6Disp: Adding Grimme-D2 dispersion energy 1st derivatives to the gradient.
 Leave Link 1101 at Mon Nov 14 06:07:06 2016, MaxMem=  2952790016 cpu:        27.2
 (Enter /mnt/data/applications/G09/g09/l1102.exe)
 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 Leave Link 1102 at Mon Nov 14 06:07:06 2016, MaxMem=  2952790016 cpu:         1.1
 (Enter /mnt/data/applications/G09/g09/l1110.exe)
 Forming Gx(P) for the SCF density, NAtomX=    49.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Do as many integral derivatives as possible in FoFJK.
 G2DrvN: MDV=    2952789520.
 G2DrvN: will do    50 centers at a time, making    1 passes.
 Calling FoFCou, ICntrl=  3507 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 FoFJK:  IHMeth= 1 ICntrl=    3507 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    3507 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  37.2190, EpsInf=   2.0463)
 G2PCM: DoFxE=T DoFxN=T DoGrad=T DoDP/DQ/DG/TGxP=FFFF NFrqRd=   0 IEInf=0 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     368
 End of G2Drv F.D. properties file   721 does not exist.
 End of G2Drv F.D. properties file   722 does not exist.
 End of G2Drv F.D. properties file   788 does not exist.
 Leave Link 1110 at Mon Nov 14 06:12:56 2016, MaxMem=  2952790016 cpu:      4163.3
 (Enter /mnt/data/applications/G09/g09/l1002.exe)
 Minotr:  Closed shell wavefunction.
          IDoAtm=1111111111111111111111111111111111111111111111111
 NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  37.2190, EpsInf=   2.0463)
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
          MDV=    2952789094 using IRadAn=       2.
 Defaulting to unpruned grid for atomic number  55.
 Generate precomputed XC quadrature information.
          Solving linear equations simultaneously, MaxMat=       0.
 FoFJK:  IHMeth= 1 ICntrl=     500 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf= 820000000 NMat= 150 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=  150 NMatS0=    150 NMatT0=    0 NMatD0=  150 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
          There are   150 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
    147 vectors produced by pass  0 Test12= 2.89D-14 1.00D-09 XBig12= 2.23D+02 4.47D+00.
 AX will form   147 AO Fock derivatives at one time.
    147 vectors produced by pass  1 Test12= 2.89D-14 1.00D-09 XBig12= 8.70D+01 1.60D+00.
    147 vectors produced by pass  2 Test12= 2.89D-14 1.00D-09 XBig12= 3.27D-01 2.87D-02.
    147 vectors produced by pass  3 Test12= 2.89D-14 1.00D-09 XBig12= 3.28D-04 1.04D-03.
    123 vectors produced by pass  4 Test12= 2.89D-14 1.00D-09 XBig12= 7.52D-08 1.30D-05.
      9 vectors produced by pass  5 Test12= 2.89D-14 1.00D-09 XBig12= 8.83D-12 1.42D-07.
      3 vectors produced by pass  6 Test12= 2.89D-14 1.00D-09 XBig12= 2.21D-14 9.44D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.95D-14
 Solved reduced A of dimension   723 with   150 vectors.
 FullF1:  Do perturbations    1 to     3.
 Isotropic polarizability for W=    0.000000      277.60 Bohr**3.
 End of Minotr F.D. properties file   721 does not exist.
 End of Minotr F.D. properties file   722 does not exist.
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Nov 14 06:36:27 2016, MaxMem=  2952790016 cpu:     16909.6
 (Enter /mnt/data/applications/G09/g09/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Alpha  occ. eigenvalues --  -18.75101 -18.75074 -18.75045 -18.74967 -14.05576
 Alpha  occ. eigenvalues --  -14.05532 -14.05516 -14.05418 -10.00616 -10.00599
 Alpha  occ. eigenvalues --  -10.00579 -10.00457  -9.94124  -9.94115  -9.94022
 Alpha  occ. eigenvalues --   -9.93959  -9.93877  -9.93863  -9.93839  -9.93627
 Alpha  occ. eigenvalues --   -0.95091  -0.95047  -0.95014  -0.94897  -0.92591
 Alpha  occ. eigenvalues --   -0.86516  -0.86470  -0.86443  -0.86361  -0.66377
 Alpha  occ. eigenvalues --   -0.66340  -0.66258  -0.66168  -0.64024  -0.63974
 Alpha  occ. eigenvalues --   -0.63945  -0.63880  -0.51504  -0.51394  -0.51230
 Alpha  occ. eigenvalues --   -0.51065  -0.47135  -0.47002  -0.46771  -0.46066
 Alpha  occ. eigenvalues --   -0.45977  -0.45972  -0.45935  -0.42888  -0.41877
 Alpha  occ. eigenvalues --   -0.41798  -0.41743  -0.41665  -0.41565  -0.41430
 Alpha  occ. eigenvalues --   -0.41381  -0.37099  -0.36717  -0.36660  -0.36290
 Alpha  occ. eigenvalues --   -0.36082  -0.36028  -0.35834  -0.35608  -0.35532
 Alpha  occ. eigenvalues --   -0.35405  -0.35344  -0.35310  -0.34307  -0.34224
 Alpha  occ. eigenvalues --   -0.34058  -0.33995  -0.33635  -0.33547  -0.33327
 Alpha  occ. eigenvalues --   -0.33087  -0.22231  -0.22109  -0.22098  -0.21991
 Alpha  occ. eigenvalues --   -0.21796  -0.21747  -0.21642  -0.21428
 Alpha virt. eigenvalues --   -0.02580  -0.02577  -0.02454  -0.02305  -0.01637
 Alpha virt. eigenvalues --   -0.00686  -0.00535  -0.00383   0.02036   0.02118
 Alpha virt. eigenvalues --    0.02364   0.02366   0.02789   0.03377   0.03975
 Alpha virt. eigenvalues --    0.04554   0.04677   0.04890   0.05052   0.05327
 Alpha virt. eigenvalues --    0.05510   0.05948   0.05964   0.06417   0.06579
 Alpha virt. eigenvalues --    0.06681   0.07037   0.07406   0.07810   0.08074
 Alpha virt. eigenvalues --    0.08385   0.08643   0.08917   0.09479   0.10025
 Alpha virt. eigenvalues --    0.10240   0.10287   0.10536   0.11038   0.11102
 Alpha virt. eigenvalues --    0.11488   0.11688   0.11851   0.12007   0.12276
 Alpha virt. eigenvalues --    0.12364   0.12580   0.12796   0.12936   0.13525
 Alpha virt. eigenvalues --    0.13761   0.14149   0.14526   0.14901   0.15520
 Alpha virt. eigenvalues --    0.15650   0.16014   0.16307   0.16690   0.16931
 Alpha virt. eigenvalues --    0.17609   0.17772   0.17949   0.18138   0.18418
 Alpha virt. eigenvalues --    0.18660   0.18968   0.19403   0.19598   0.20002
 Alpha virt. eigenvalues --    0.20717   0.20857   0.21202   0.21566   0.21673
 Alpha virt. eigenvalues --    0.21997   0.22150   0.22512   0.22889   0.23146
 Alpha virt. eigenvalues --    0.23730   0.23831   0.24337   0.24673   0.25057
 Alpha virt. eigenvalues --    0.25340   0.25715   0.26048   0.26357   0.26567
 Alpha virt. eigenvalues --    0.26747   0.27058   0.27403   0.27949   0.28315
 Alpha virt. eigenvalues --    0.28517   0.29053   0.29146   0.29416   0.29717
 Alpha virt. eigenvalues --    0.30364   0.30717   0.31208   0.31430   0.31680
 Alpha virt. eigenvalues --    0.32122   0.32905   0.33335   0.33588   0.34349
 Alpha virt. eigenvalues --    0.34617   0.35186   0.35690   0.36310   0.36495
 Alpha virt. eigenvalues --    0.36943   0.37364   0.37535   0.37994   0.38072
 Alpha virt. eigenvalues --    0.38336   0.39606   0.39807   0.39876   0.40386
 Alpha virt. eigenvalues --    0.41531   0.43697   0.43798   0.44285   0.45281
 Alpha virt. eigenvalues --    0.45489   0.47278   0.47637   0.56955   0.60770
 Alpha virt. eigenvalues --    0.61949   0.62482   0.64725   0.65090   0.66258
 Alpha virt. eigenvalues --    0.66601   0.66979   0.68087   0.68853   0.69463
 Alpha virt. eigenvalues --    0.69919   0.70910   0.71701   0.72663   0.72967
 Alpha virt. eigenvalues --    0.73667   0.74169   0.74983   0.75357   0.75612
 Alpha virt. eigenvalues --    0.76339   0.77959   0.78419   0.78550   0.79303
 Alpha virt. eigenvalues --    0.80303   0.80710   0.80970   0.81841   0.82279
 Alpha virt. eigenvalues --    0.82999   0.83422   0.84478   0.84787   0.86056
 Alpha virt. eigenvalues --    0.87232   0.88502   0.89618   0.90770   0.91175
 Alpha virt. eigenvalues --    0.91267   0.91425   0.92652   0.93107   0.93996
 Alpha virt. eigenvalues --    0.94436   0.95135   0.95353   0.95767   0.96182
 Alpha virt. eigenvalues --    0.96900   0.97908   0.98590   0.98755   0.99700
 Alpha virt. eigenvalues --    1.00631   1.01617   1.01844   1.02681   1.03885
 Alpha virt. eigenvalues --    1.05370   1.05716   1.06726   1.07386   1.08586
 Alpha virt. eigenvalues --    1.09928   1.10381   1.11144   1.11997   1.12542
 Alpha virt. eigenvalues --    1.13977   1.14511   1.15534   1.17749   1.17970
 Alpha virt. eigenvalues --    1.19019   1.19944   1.21370   1.21615   1.22379
 Alpha virt. eigenvalues --    1.22609   1.23974   1.24129   1.25212   1.27190
 Alpha virt. eigenvalues --    1.27908   1.28581   1.28842   1.29619   1.29886
 Alpha virt. eigenvalues --    1.30686   1.30918   1.31167   1.31538   1.33003
 Alpha virt. eigenvalues --    1.33947   1.34706   1.35576   1.35726   1.36986
 Alpha virt. eigenvalues --    1.37297   1.38523   1.39503   1.41434   1.43259
 Alpha virt. eigenvalues --    1.44637   1.45119   1.46850   1.48115   1.48836
 Alpha virt. eigenvalues --    1.49426   1.49818   1.51874   1.52924   1.53116
 Alpha virt. eigenvalues --    1.54035   1.68513   1.69097   1.69544   1.70202
 Alpha virt. eigenvalues --    1.72027   1.72177   1.73240   1.73844   1.78011
 Alpha virt. eigenvalues --    1.79107   1.79906   1.80867   1.83982   1.84336
 Alpha virt. eigenvalues --    1.84409   1.84585   1.85399   1.85494   1.86031
 Alpha virt. eigenvalues --    1.86921   1.89301   1.89529   1.89970   1.90080
 Alpha virt. eigenvalues --    1.91140   1.92153   1.92230   1.92492   1.93091
 Alpha virt. eigenvalues --    1.93569   1.94401   1.95712   2.01145   2.01443
 Alpha virt. eigenvalues --    2.01564   2.01721   2.02399   2.02960   2.03086
 Alpha virt. eigenvalues --    2.03931   2.09349   2.09920   2.10582   2.10980
 Alpha virt. eigenvalues --    2.16659   2.17759   2.18071   2.18899   2.19043
 Alpha virt. eigenvalues --    2.19162   2.19495   2.20139   2.24987   2.25546
 Alpha virt. eigenvalues --    2.26184   2.26364   2.29582   2.29816   2.30704
 Alpha virt. eigenvalues --    2.30854   2.33757   2.34390   2.34760   2.35056
 Alpha virt. eigenvalues --    2.35658   2.36256   2.36693   2.37313   2.49439
 Alpha virt. eigenvalues --    2.49811   2.50125   2.50200   2.56571   2.56712
 Alpha virt. eigenvalues --    2.56903   2.57201   2.59240   2.59811   2.60550
 Alpha virt. eigenvalues --    2.60880   2.77337   2.77699   2.77735   2.78170
 Alpha virt. eigenvalues --    2.95182   2.95362   2.95707   2.95911   3.07482
 Alpha virt. eigenvalues --    3.07805   3.08143   3.08693  11.63713
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  Cs   8.829460  -0.126407  -0.004968   0.063045  -0.006196  -0.045709
     2  C   -0.126407   5.262662   0.464776   0.039759   0.442928  -0.035899
     3  O   -0.004968   0.464776   8.273776  -0.215540  -0.042209   0.034594
     4  N    0.063045   0.039759  -0.215540   7.589207  -0.173808   0.047782
     5  H   -0.006196   0.442928  -0.042209  -0.173808   0.565146   0.006856
     6  C   -0.045709  -0.035899   0.034594   0.047782   0.006856   5.543860
     7  H   -0.002713   0.002329   0.002069  -0.071543   0.007337   0.406648
     8  H   -0.007435   0.005064   0.000253  -0.059996  -0.000132   0.374297
     9  H    0.004549  -0.012276  -0.000843  -0.043334  -0.000081   0.398718
    10  C   -0.064128  -0.137343  -0.012500  -0.004819   0.006231  -0.105892
    11  H   -0.006518   0.007890   0.000749  -0.067141  -0.000094  -0.001231
    12  H   -0.004598  -0.011390   0.012785  -0.068831   0.000328   0.003120
    13  H    0.004380  -0.005187   0.000323  -0.031501  -0.000125  -0.007176
    14  C   -0.116047  -0.004661  -0.000778   0.003192   0.000008  -0.001601
    15  O    0.014131  -0.000026   0.000004  -0.000082   0.000000  -0.000105
    16  N    0.067112  -0.001285  -0.001365   0.002102  -0.000010   0.001554
    17  H   -0.006850  -0.000003  -0.000001  -0.000008   0.000000  -0.000025
    18  C   -0.059361   0.004604   0.000715  -0.001150  -0.000114  -0.001312
    19  H   -0.003715   0.000737  -0.000058  -0.000133   0.000000  -0.000064
    20  H    0.004355   0.000001   0.000000   0.000002   0.000000   0.000006
    21  H   -0.004959  -0.000221   0.000002   0.000014   0.000000  -0.000011
    22  C   -0.073923   0.002924   0.000744  -0.002214   0.000200  -0.000866
    23  H    0.005462  -0.000098   0.000005   0.000031   0.000000   0.000024
    24  H   -0.009410   0.002969   0.000833  -0.001129   0.000002  -0.000280
    25  H   -0.004452  -0.000206  -0.000003  -0.000019   0.000000  -0.000037
    26  C   -0.074140  -0.002603  -0.000031   0.002756   0.000009   0.016350
    27  O    0.013933  -0.001330  -0.000011  -0.000856  -0.000003  -0.005744
    28  N    0.027811   0.009536  -0.000083  -0.003692  -0.000007  -0.004793
    29  H   -0.005482   0.000651   0.000001   0.002268   0.000000   0.000163
    30  C   -0.048863  -0.007722  -0.000541  -0.000511  -0.000056  -0.000806
    31  H    0.003296   0.000081   0.000000  -0.000010   0.000000  -0.000068
    32  H   -0.007483  -0.000362   0.000004   0.000182   0.000000   0.000471
    33  H   -0.002431  -0.000134   0.000000  -0.000181   0.000000  -0.000583
    34  C   -0.040037  -0.005498  -0.000023   0.005798   0.000010  -0.003764
    35  H    0.000673   0.000014   0.000000  -0.000006   0.000000  -0.000027
    36  H    0.002367  -0.000030   0.000000   0.000002   0.000000  -0.000216
    37  H   -0.004794  -0.000091   0.000000   0.000024   0.000000   0.000129
    38  C   -0.093820   0.006809  -0.002493   0.001013   0.000225  -0.000593
    39  O    0.001077   0.011451  -0.001063  -0.001626   0.000447  -0.005582
    40  N    0.060668  -0.004264   0.000327  -0.001513   0.000074   0.004927
    41  H   -0.006100   0.000576  -0.000011  -0.000007   0.000000  -0.000230
    42  C   -0.066784  -0.000718   0.000056   0.002887  -0.000720  -0.004547
    43  H   -0.001212   0.002126  -0.000039  -0.000726   0.000071  -0.000883
    44  H    0.002880  -0.000015   0.000000  -0.000026   0.000000   0.000494
    45  H   -0.004089  -0.000054   0.000003   0.000005   0.000000  -0.002121
    46  C   -0.060589  -0.003133  -0.000583   0.003880  -0.000156  -0.001478
    47  H   -0.002734  -0.000001   0.000000  -0.000001   0.000000  -0.000013
    48  H   -0.005112  -0.000028   0.000000   0.000010   0.000000  -0.000126
    49  H    0.003219   0.000013   0.000000  -0.000003   0.000000   0.000052
               7          8          9         10         11         12
     1  Cs  -0.002713  -0.007435   0.004549  -0.064128  -0.006518  -0.004598
     2  C    0.002329   0.005064  -0.012276  -0.137343   0.007890  -0.011390
     3  O    0.002069   0.000253  -0.000843  -0.012500   0.000749   0.012785
     4  N   -0.071543  -0.059996  -0.043334  -0.004819  -0.067141  -0.068831
     5  H    0.007337  -0.000132  -0.000081   0.006231  -0.000094   0.000328
     6  C    0.406648   0.374297   0.398718  -0.105892  -0.001231   0.003120
     7  H    0.457065  -0.023668  -0.020314   0.002575   0.000159  -0.000151
     8  H   -0.023668   0.482529  -0.035884   0.000231   0.004595   0.000122
     9  H   -0.020314  -0.035884   0.474825  -0.004921  -0.001860  -0.000044
    10  C    0.002575   0.000231  -0.004921   5.754730   0.390316   0.414941
    11  H    0.000159   0.004595  -0.001860   0.390316   0.479099  -0.026342
    12  H   -0.000151   0.000122  -0.000044   0.414941  -0.026342   0.443374
    13  H   -0.000061  -0.000730   0.003027   0.380496  -0.029109  -0.019882
    14  C    0.000001  -0.000092   0.000007  -0.000729   0.000105  -0.000198
    15  O    0.000000   0.000000   0.000000   0.000328   0.000001   0.000000
    16  N   -0.000001   0.000011   0.000000  -0.005382   0.000040  -0.000231
    17  H    0.000000   0.000000   0.000000   0.000029   0.000000   0.000000
    18  C   -0.000011  -0.000027   0.000005   0.000764  -0.000139   0.000094
    19  H    0.000000   0.000000   0.000000  -0.000097   0.000000   0.000000
    20  H    0.000000   0.000000   0.000000  -0.000006   0.000000   0.000000
    21  H    0.000000   0.000000   0.000000   0.000063   0.000000   0.000000
    22  C    0.000004  -0.000065   0.000009   0.006130  -0.000480   0.000810
    23  H    0.000000   0.000000   0.000000  -0.000174   0.000000   0.000000
    24  H    0.000000   0.000000   0.000000   0.000879   0.000000   0.000091
    25  H    0.000000   0.000000   0.000000   0.000083   0.000001   0.000003
    26  C    0.000198   0.022353  -0.005400  -0.013822   0.016817  -0.001746
    27  O    0.000038  -0.000723   0.000566  -0.000937  -0.001090   0.000014
    28  N   -0.000027  -0.004927   0.000499   0.010620  -0.002007   0.000174
    29  H    0.000008  -0.000653   0.000082  -0.006144   0.002998   0.000035
    30  C   -0.000050  -0.000267   0.000235  -0.003725  -0.004900  -0.000670
    31  H    0.000000   0.000000   0.000000   0.000231   0.000046   0.000000
    32  H    0.000000   0.000004   0.000000  -0.000896  -0.000242   0.000008
    33  H    0.000000   0.000004   0.000001   0.000282   0.001750   0.000010
    34  C    0.000039  -0.002787   0.000351  -0.000756  -0.003279   0.000352
    35  H    0.000000  -0.000001   0.000000   0.000074   0.000000   0.000000
    36  H    0.000000   0.000008   0.000000   0.000063   0.000001   0.000000
    37  H    0.000000   0.000002   0.000000  -0.000101   0.000000   0.000000
    38  C    0.000271   0.000146  -0.000012  -0.005329   0.000105  -0.000103
    39  O    0.000065   0.000000   0.000003  -0.002255   0.000000   0.000004
    40  N   -0.000001  -0.000064  -0.000007   0.005679   0.000039  -0.000003
    41  H    0.000000   0.000000   0.000000  -0.000049   0.000000   0.000000
    42  C   -0.000907  -0.000381   0.000042  -0.004527  -0.000566   0.000128
    43  H    0.000174  -0.000159   0.000002  -0.000310   0.000002   0.000000
    44  H    0.000000   0.000008   0.000000   0.000031   0.000000   0.000000
    45  H    0.000006   0.000116   0.000002  -0.000106   0.000001   0.000000
    46  C   -0.000081  -0.000221   0.000028  -0.002900   0.000010  -0.000048
    47  H    0.000000   0.000000   0.000000  -0.000002   0.000000   0.000000
    48  H    0.000000   0.000001   0.000000  -0.000119   0.000000   0.000000
    49  H    0.000000   0.000000   0.000000   0.000014   0.000000   0.000000
              13         14         15         16         17         18
     1  Cs   0.004380  -0.116047   0.014131   0.067112  -0.006850  -0.059361
     2  C   -0.005187  -0.004661  -0.000026  -0.001285  -0.000003   0.004604
     3  O    0.000323  -0.000778   0.000004  -0.001365  -0.000001   0.000715
     4  N   -0.031501   0.003192  -0.000082   0.002102  -0.000008  -0.001150
     5  H   -0.000125   0.000008   0.000000  -0.000010   0.000000  -0.000114
     6  C   -0.007176  -0.001601  -0.000105   0.001554  -0.000025  -0.001312
     7  H   -0.000061   0.000001   0.000000  -0.000001   0.000000  -0.000011
     8  H   -0.000730  -0.000092   0.000000   0.000011   0.000000  -0.000027
     9  H    0.003027   0.000007   0.000000   0.000000   0.000000   0.000005
    10  C    0.380496  -0.000729   0.000328  -0.005382   0.000029   0.000764
    11  H   -0.029109   0.000105   0.000001   0.000040   0.000000  -0.000139
    12  H   -0.019882  -0.000198   0.000000  -0.000231   0.000000   0.000094
    13  H    0.457266   0.000013   0.000000   0.000002   0.000000   0.000012
    14  C    0.000013   5.341207   0.473779   0.009433   0.440629  -0.162220
    15  O    0.000000   0.473779   8.235784  -0.218699  -0.042292  -0.006297
    16  N    0.000002   0.009433  -0.218699   7.640334  -0.174230  -0.023168
    17  H    0.000000   0.440629  -0.042292  -0.174230   0.566488   0.009894
    18  C    0.000012  -0.162220  -0.006297  -0.023168   0.009894   5.791486
    19  H    0.000000  -0.005239   0.001237  -0.068914  -0.000066   0.415455
    20  H    0.000000  -0.003042  -0.000326  -0.028868  -0.000159   0.374395
    21  H    0.000000   0.000508   0.010124  -0.067265   0.000264   0.402116
    22  C   -0.000021  -0.008262   0.027975   0.019552   0.003311  -0.125379
    23  H    0.000000  -0.006046  -0.000942  -0.038287  -0.000127  -0.015164
    24  H    0.000000  -0.006990   0.000137  -0.059192  -0.000009   0.014382
    25  H    0.000000   0.005375   0.002203  -0.075435   0.007438   0.002647
    26  C   -0.001067  -0.002754  -0.001233   0.004974   0.000188  -0.004268
    27  O    0.000036   0.000116  -0.000005  -0.000032  -0.000001  -0.000054
    28  N    0.000153   0.014004   0.000719  -0.005816   0.000109   0.003100
    29  H    0.000067  -0.000086  -0.000001   0.000005   0.000000  -0.000026
    30  C    0.000100  -0.023586  -0.008245   0.016611  -0.001311  -0.004095
    31  H    0.000000  -0.001035   0.000160   0.000004   0.000040   0.000159
    32  H    0.000001   0.007142  -0.002029  -0.001507   0.002066  -0.002248
    33  H    0.000019  -0.000152  -0.000003   0.000031   0.000011   0.000029
    34  C    0.000153   0.012766  -0.004784  -0.007976   0.000671   0.001810
    35  H    0.000000  -0.000193   0.000339  -0.000021   0.000002   0.000034
    36  H    0.000000  -0.003330   0.000271   0.000304  -0.000001   0.000260
    37  H    0.000000   0.016064   0.001358  -0.002613  -0.000420  -0.001219
    38  C    0.000007   0.006325  -0.005692   0.001863  -0.000363  -0.014524
    39  O    0.000000   0.000838   0.000121   0.000191   0.000001  -0.005584
    40  N   -0.000003  -0.008726  -0.000803  -0.003027   0.000009   0.014425
    41  H    0.000000   0.000991  -0.000110   0.000577   0.000000  -0.000557
    42  C    0.000052  -0.005498  -0.000548   0.006558  -0.000009  -0.003553
    43  H    0.000000   0.000140   0.000000  -0.000008   0.000000  -0.000103
    44  H    0.000000   0.000007   0.000000  -0.000004   0.000000   0.000055
    45  H    0.000000  -0.000403   0.000012   0.000050   0.000000  -0.000026
    46  C    0.000007   0.011856   0.005764  -0.000276   0.000324  -0.001547
    47  H    0.000000  -0.000235  -0.000177   0.000190   0.000000   0.000048
    48  H    0.000000  -0.000167   0.000024  -0.000150   0.000000  -0.000416
    49  H    0.000000   0.000030  -0.000001  -0.000009   0.000000   0.000097
              19         20         21         22         23         24
     1  Cs  -0.003715   0.004355  -0.004959  -0.073923   0.005462  -0.009410
     2  C    0.000737   0.000001  -0.000221   0.002924  -0.000098   0.002969
     3  O   -0.000058   0.000000   0.000002   0.000744   0.000005   0.000833
     4  N   -0.000133   0.000002   0.000014  -0.002214   0.000031  -0.001129
     5  H    0.000000   0.000000   0.000000   0.000200   0.000000   0.000002
     6  C   -0.000064   0.000006  -0.000011  -0.000866   0.000024  -0.000280
     7  H    0.000000   0.000000   0.000000   0.000004   0.000000   0.000000
     8  H    0.000000   0.000000   0.000000  -0.000065   0.000000   0.000000
     9  H    0.000000   0.000000   0.000000   0.000009   0.000000   0.000000
    10  C   -0.000097  -0.000006   0.000063   0.006130  -0.000174   0.000879
    11  H    0.000000   0.000000   0.000000  -0.000480   0.000000   0.000000
    12  H    0.000000   0.000000   0.000000   0.000810   0.000000   0.000091
    13  H    0.000000   0.000000   0.000000  -0.000021   0.000000   0.000000
    14  C   -0.005239  -0.003042   0.000508  -0.008262  -0.006046  -0.006990
    15  O    0.001237  -0.000326   0.010124   0.027975  -0.000942   0.000137
    16  N   -0.068914  -0.028868  -0.067265   0.019552  -0.038287  -0.059192
    17  H   -0.000066  -0.000159   0.000264   0.003311  -0.000127  -0.000009
    18  C    0.415455   0.374395   0.402116  -0.125379  -0.015164   0.014382
    19  H    0.469286  -0.028179  -0.026060  -0.003313  -0.001495   0.005582
    20  H   -0.028179   0.459643  -0.020463  -0.006774   0.002658  -0.000788
    21  H   -0.026060  -0.020463   0.445008   0.003436  -0.000090   0.000173
    22  C   -0.003313  -0.006774   0.003436   5.567182   0.391264   0.389146
    23  H   -0.001495   0.002658  -0.000090   0.391264   0.475179  -0.035780
    24  H    0.005582  -0.000788   0.000173   0.389146  -0.035780   0.485518
    25  H    0.000211  -0.000099  -0.000151   0.407307  -0.020604  -0.023847
    26  C   -0.000012   0.000006  -0.000062  -0.001845   0.000013  -0.000064
    27  O    0.000000   0.000000   0.000001   0.000185   0.000000   0.000000
    28  N    0.000007  -0.000006   0.000004  -0.002130  -0.000009   0.000086
    29  H    0.000000   0.000000   0.000000   0.000081   0.000000   0.000000
    30  C   -0.000036   0.000057  -0.000128   0.006078   0.000079  -0.000792
    31  H    0.000000   0.000000   0.000000  -0.000395   0.000000   0.000000
    32  H    0.000001   0.000000   0.000001   0.003413   0.000000  -0.000009
    33  H    0.000000   0.000000   0.000000  -0.000193   0.000000   0.000000
    34  C    0.000150  -0.000021  -0.000210  -0.001047  -0.000040   0.000310
    35  H    0.000000   0.000000   0.000000  -0.000017   0.000000   0.000000
    36  H    0.000000   0.000000   0.000001   0.000106   0.000000   0.000000
    37  H    0.000002   0.000000   0.000002  -0.000307   0.000000   0.000002
    38  C   -0.002347   0.000254  -0.000546  -0.004966   0.000114  -0.000874
    39  O    0.000292   0.000007  -0.000083  -0.001208   0.000000  -0.000001
    40  N   -0.000011  -0.000020  -0.001019   0.006023  -0.000006   0.000077
    41  H   -0.000047   0.000015   0.000336  -0.000135   0.000000   0.000000
    42  C    0.000040   0.000074  -0.000831  -0.004277   0.000016  -0.000084
    43  H    0.000001   0.000000   0.000000  -0.000032   0.000000   0.000000
    44  H    0.000000   0.000000   0.000000   0.000012   0.000000   0.000000
    45  H    0.000000   0.000000   0.000000  -0.000071   0.000000   0.000000
    46  C   -0.000445   0.000074   0.003097  -0.003440   0.000023  -0.000055
    47  H   -0.000004   0.000001   0.000195  -0.000036   0.000000   0.000000
    48  H    0.000001   0.000000  -0.000041  -0.000584   0.000000   0.000000
    49  H    0.000000   0.000000   0.000000   0.000047   0.000000   0.000000
              25         26         27         28         29         30
     1  Cs  -0.004452  -0.074140   0.013933   0.027811  -0.005482  -0.048863
     2  C   -0.000206  -0.002603  -0.001330   0.009536   0.000651  -0.007722
     3  O   -0.000003  -0.000031  -0.000011  -0.000083   0.000001  -0.000541
     4  N   -0.000019   0.002756  -0.000856  -0.003692   0.002268  -0.000511
     5  H    0.000000   0.000009  -0.000003  -0.000007   0.000000  -0.000056
     6  C   -0.000037   0.016350  -0.005744  -0.004793   0.000163  -0.000806
     7  H    0.000000   0.000198   0.000038  -0.000027   0.000008  -0.000050
     8  H    0.000000   0.022353  -0.000723  -0.004927  -0.000653  -0.000267
     9  H    0.000000  -0.005400   0.000566   0.000499   0.000082   0.000235
    10  C    0.000083  -0.013822  -0.000937   0.010620  -0.006144  -0.003725
    11  H    0.000001   0.016817  -0.001090  -0.002007   0.002998  -0.004900
    12  H    0.000003  -0.001746   0.000014   0.000174   0.000035  -0.000670
    13  H    0.000000  -0.001067   0.000036   0.000153   0.000067   0.000100
    14  C    0.005375  -0.002754   0.000116   0.014004  -0.000086  -0.023586
    15  O    0.002203  -0.001233  -0.000005   0.000719  -0.000001  -0.008245
    16  N   -0.075435   0.004974  -0.000032  -0.005816   0.000005   0.016611
    17  H    0.007438   0.000188  -0.000001   0.000109   0.000000  -0.001311
    18  C    0.002647  -0.004268  -0.000054   0.003100  -0.000026  -0.004095
    19  H    0.000211  -0.000012   0.000000   0.000007   0.000000  -0.000036
    20  H   -0.000099   0.000006   0.000000  -0.000006   0.000000   0.000057
    21  H   -0.000151  -0.000062   0.000001   0.000004   0.000000  -0.000128
    22  C    0.407307  -0.001845   0.000185  -0.002130   0.000081   0.006078
    23  H   -0.020604   0.000013   0.000000  -0.000009   0.000000   0.000079
    24  H   -0.023847  -0.000064   0.000000   0.000086   0.000000  -0.000792
    25  H    0.458573   0.000047   0.000000  -0.000031   0.000000   0.000394
    26  C    0.000047   5.265816   0.469457   0.052002   0.444810  -0.019649
    27  O    0.000000   0.469457   8.235829  -0.212712  -0.043720   0.027311
    28  N   -0.000031   0.052002  -0.212712   7.642034  -0.174125  -0.004716
    29  H    0.000000   0.444810  -0.043720  -0.174125   0.570604  -0.001766
    30  C    0.000394  -0.019649   0.027311  -0.004716  -0.001766   5.611019
    31  H    0.000000  -0.004982  -0.001005  -0.040666  -0.000192   0.388139
    32  H    0.000129  -0.003155   0.000080  -0.054620   0.000026   0.392480
    33  H   -0.000001  -0.002708   0.002143  -0.071645   0.006792   0.403603
    34  C   -0.000208  -0.169711  -0.006366  -0.000738   0.011217  -0.120432
    35  H    0.000000  -0.003762  -0.000609  -0.028939  -0.000188  -0.008626
    36  H    0.000000  -0.012065   0.008175  -0.063484   0.000230   0.010187
    37  H   -0.000001   0.001688   0.001853  -0.059686  -0.000054  -0.010437
    38  C    0.000002  -0.000656  -0.000947   0.004990   0.000005  -0.003391
    39  O    0.000001   0.000058  -0.000003   0.000069   0.000000  -0.000232
    40  N   -0.000005  -0.006321   0.000063  -0.002221  -0.000008   0.003240
    41  H    0.000000   0.000020   0.000000  -0.000002   0.000000  -0.000028
    42  C   -0.000008   0.009582  -0.001743  -0.001393   0.000284   0.000197
    43  H    0.000000  -0.000353   0.000091  -0.000009   0.000001  -0.000107
    44  H    0.000000  -0.000291   0.000163  -0.000003   0.000000   0.000035
    45  H    0.000000   0.002925   0.000668  -0.000647   0.000018   0.000042
    46  C    0.000011   0.004197  -0.003068   0.004307  -0.000159  -0.004089
    47  H    0.000000  -0.000045   0.000003  -0.000034   0.000000  -0.000008
    48  H    0.000000  -0.001006  -0.000706  -0.001620  -0.000001  -0.000834
    49  H    0.000000   0.000156   0.000051   0.000079   0.000000   0.000065
              31         32         33         34         35         36
     1  Cs   0.003296  -0.007483  -0.002431  -0.040037   0.000673   0.002367
     2  C    0.000081  -0.000362  -0.000134  -0.005498   0.000014  -0.000030
     3  O    0.000000   0.000004   0.000000  -0.000023   0.000000   0.000000
     4  N   -0.000010   0.000182  -0.000181   0.005798  -0.000006   0.000002
     5  H    0.000000   0.000000   0.000000   0.000010   0.000000   0.000000
     6  C   -0.000068   0.000471  -0.000583  -0.003764  -0.000027  -0.000216
     7  H    0.000000   0.000000   0.000000   0.000039   0.000000   0.000000
     8  H    0.000000   0.000004   0.000004  -0.002787  -0.000001   0.000008
     9  H    0.000000   0.000000   0.000001   0.000351   0.000000   0.000000
    10  C    0.000231  -0.000896   0.000282  -0.000756   0.000074   0.000063
    11  H    0.000046  -0.000242   0.001750  -0.003279   0.000000   0.000001
    12  H    0.000000   0.000008   0.000010   0.000352   0.000000   0.000000
    13  H    0.000000   0.000001   0.000019   0.000153   0.000000   0.000000
    14  C   -0.001035   0.007142  -0.000152   0.012766  -0.000193  -0.003330
    15  O    0.000160  -0.002029  -0.000003  -0.004784   0.000339   0.000271
    16  N    0.000004  -0.001507   0.000031  -0.007976  -0.000021   0.000304
    17  H    0.000040   0.002066   0.000011   0.000671   0.000002  -0.000001
    18  C    0.000159  -0.002248   0.000029   0.001810   0.000034   0.000260
    19  H    0.000000   0.000001   0.000000   0.000150   0.000000   0.000000
    20  H    0.000000   0.000000   0.000000  -0.000021   0.000000   0.000000
    21  H    0.000000   0.000001   0.000000  -0.000210   0.000000   0.000001
    22  C   -0.000395   0.003413  -0.000193  -0.001047  -0.000017   0.000106
    23  H    0.000000   0.000000   0.000000  -0.000040   0.000000   0.000000
    24  H    0.000000  -0.000009   0.000000   0.000310   0.000000   0.000000
    25  H    0.000000   0.000129  -0.000001  -0.000208   0.000000   0.000000
    26  C   -0.004982  -0.003155  -0.002708  -0.169711  -0.003762  -0.012065
    27  O   -0.001005   0.000080   0.002143  -0.006366  -0.000609   0.008175
    28  N   -0.040666  -0.054620  -0.071645  -0.000738  -0.028939  -0.063484
    29  H   -0.000192   0.000026   0.006792   0.011217  -0.000188   0.000230
    30  C    0.388139   0.392480   0.403603  -0.120432  -0.008626   0.010187
    31  H    0.477859  -0.035159  -0.020648  -0.010081   0.002604  -0.000132
    32  H   -0.035159   0.481982  -0.024024  -0.000923  -0.000690   0.000258
    33  H   -0.020648  -0.024024   0.456424   0.008113  -0.000113  -0.000158
    34  C   -0.010081  -0.000923   0.008113   5.730427   0.378883   0.404035
    35  H    0.002604  -0.000690  -0.000113   0.378883   0.464667  -0.021993
    36  H   -0.000132   0.000258  -0.000158   0.404035  -0.021993   0.446413
    37  H   -0.001314   0.004647   0.000213   0.396072  -0.027576  -0.024818
    38  C    0.000005  -0.000025  -0.000017  -0.004951   0.000017  -0.000160
    39  O    0.000000  -0.000001   0.000000  -0.000386   0.000000   0.000002
    40  N   -0.000005   0.000060  -0.000011   0.008143  -0.000077   0.000191
    41  H    0.000000   0.000000   0.000000  -0.000123   0.000000   0.000000
    42  C    0.000019  -0.000138   0.000085  -0.000730   0.000118   0.001592
    43  H    0.000000   0.000000   0.000000  -0.000547   0.000000  -0.000001
    44  H    0.000000   0.000000   0.000000   0.000118   0.000000   0.000001
    45  H    0.000000   0.000001   0.000000   0.000923  -0.000001   0.000482
    46  C    0.000085  -0.000304   0.000000  -0.008447   0.000852  -0.005023
    47  H    0.000000   0.000000   0.000000   0.000245  -0.000001   0.000005
    48  H    0.000000   0.000002   0.000000   0.010054   0.000013   0.001350
    49  H    0.000000   0.000000   0.000000  -0.001336  -0.000001   0.000045
              37         38         39         40         41         42
     1  Cs  -0.004794  -0.093820   0.001077   0.060668  -0.006100  -0.066784
     2  C   -0.000091   0.006809   0.011451  -0.004264   0.000576  -0.000718
     3  O    0.000000  -0.002493  -0.001063   0.000327  -0.000011   0.000056
     4  N    0.000024   0.001013  -0.001626  -0.001513  -0.000007   0.002887
     5  H    0.000000   0.000225   0.000447   0.000074   0.000000  -0.000720
     6  C    0.000129  -0.000593  -0.005582   0.004927  -0.000230  -0.004547
     7  H    0.000000   0.000271   0.000065  -0.000001   0.000000  -0.000907
     8  H    0.000002   0.000146   0.000000  -0.000064   0.000000  -0.000381
     9  H    0.000000  -0.000012   0.000003  -0.000007   0.000000   0.000042
    10  C   -0.000101  -0.005329  -0.002255   0.005679  -0.000049  -0.004527
    11  H    0.000000   0.000105   0.000000   0.000039   0.000000  -0.000566
    12  H    0.000000  -0.000103   0.000004  -0.000003   0.000000   0.000128
    13  H    0.000000   0.000007   0.000000  -0.000003   0.000000   0.000052
    14  C    0.016064   0.006325   0.000838  -0.008726   0.000991  -0.005498
    15  O    0.001358  -0.005692   0.000121  -0.000803  -0.000110  -0.000548
    16  N   -0.002613   0.001863   0.000191  -0.003027   0.000577   0.006558
    17  H   -0.000420  -0.000363   0.000001   0.000009   0.000000  -0.000009
    18  C   -0.001219  -0.014524  -0.005584   0.014425  -0.000557  -0.003553
    19  H    0.000002  -0.002347   0.000292  -0.000011  -0.000047   0.000040
    20  H    0.000000   0.000254   0.000007  -0.000020   0.000015   0.000074
    21  H    0.000002  -0.000546  -0.000083  -0.001019   0.000336  -0.000831
    22  C   -0.000307  -0.004966  -0.001208   0.006023  -0.000135  -0.004277
    23  H    0.000000   0.000114   0.000000  -0.000006   0.000000   0.000016
    24  H    0.000002  -0.000874  -0.000001   0.000077   0.000000  -0.000084
    25  H   -0.000001   0.000002   0.000001  -0.000005   0.000000  -0.000008
    26  C    0.001688  -0.000656   0.000058  -0.006321   0.000020   0.009582
    27  O    0.001853  -0.000947  -0.000003   0.000063   0.000000  -0.001743
    28  N   -0.059686   0.004990   0.000069  -0.002221  -0.000002  -0.001393
    29  H   -0.000054   0.000005   0.000000  -0.000008   0.000000   0.000284
    30  C   -0.010437  -0.003391  -0.000232   0.003240  -0.000028   0.000197
    31  H   -0.001314   0.000005   0.000000  -0.000005   0.000000   0.000019
    32  H    0.004647  -0.000025  -0.000001   0.000060   0.000000  -0.000138
    33  H    0.000213  -0.000017   0.000000  -0.000011   0.000000   0.000085
    34  C    0.396072  -0.004951  -0.000386   0.008143  -0.000123  -0.000730
    35  H   -0.027576   0.000017   0.000000  -0.000077   0.000000   0.000118
    36  H   -0.024818  -0.000160   0.000002   0.000191   0.000000   0.001592
    37  H    0.464692   0.000342  -0.000002   0.000037   0.000000  -0.000694
    38  C    0.000342   5.237789   0.476808   0.038186   0.441091  -0.128772
    39  O   -0.000002   0.476808   8.250807  -0.220571  -0.042947  -0.015829
    40  N    0.000037   0.038186  -0.220571   7.616391  -0.172451  -0.013218
    41  H    0.000000   0.441091  -0.042947  -0.172451   0.565287   0.004334
    42  C   -0.000694  -0.128772  -0.015829  -0.013218   0.004334   5.769040
    43  H    0.000000  -0.011523   0.012594  -0.066735   0.000321   0.408985
    44  H    0.000000  -0.005799   0.000181  -0.028236  -0.000127   0.375222
    45  H    0.000001   0.005925   0.000853  -0.069713  -0.000091   0.402902
    46  C   -0.001502  -0.029304   0.036952   0.026633   0.008190  -0.117873
    47  H    0.000006   0.002441   0.002122  -0.071808   0.007139   0.003014
    48  H   -0.000301   0.005652   0.000248  -0.061221  -0.000130   0.005750
    49  H    0.000010  -0.011564  -0.000884  -0.039633  -0.000102  -0.009953
              43         44         45         46         47         48
     1  Cs  -0.001212   0.002880  -0.004089  -0.060589  -0.002734  -0.005112
     2  C    0.002126  -0.000015  -0.000054  -0.003133  -0.000001  -0.000028
     3  O   -0.000039   0.000000   0.000003  -0.000583   0.000000   0.000000
     4  N   -0.000726  -0.000026   0.000005   0.003880  -0.000001   0.000010
     5  H    0.000071   0.000000   0.000000  -0.000156   0.000000   0.000000
     6  C   -0.000883   0.000494  -0.002121  -0.001478  -0.000013  -0.000126
     7  H    0.000174   0.000000   0.000006  -0.000081   0.000000   0.000000
     8  H   -0.000159   0.000008   0.000116  -0.000221   0.000000   0.000001
     9  H    0.000002   0.000000   0.000002   0.000028   0.000000   0.000000
    10  C   -0.000310   0.000031  -0.000106  -0.002900  -0.000002  -0.000119
    11  H    0.000002   0.000000   0.000001   0.000010   0.000000   0.000000
    12  H    0.000000   0.000000   0.000000  -0.000048   0.000000   0.000000
    13  H    0.000000   0.000000   0.000000   0.000007   0.000000   0.000000
    14  C    0.000140   0.000007  -0.000403   0.011856  -0.000235  -0.000167
    15  O    0.000000   0.000000   0.000012   0.005764  -0.000177   0.000024
    16  N   -0.000008  -0.000004   0.000050  -0.000276   0.000190  -0.000150
    17  H    0.000000   0.000000   0.000000   0.000324   0.000000   0.000000
    18  C   -0.000103   0.000055  -0.000026  -0.001547   0.000048  -0.000416
    19  H    0.000001   0.000000   0.000000  -0.000445  -0.000004   0.000001
    20  H    0.000000   0.000000   0.000000   0.000074   0.000001   0.000000
    21  H    0.000000   0.000000   0.000000   0.003097   0.000195  -0.000041
    22  C   -0.000032   0.000012  -0.000071  -0.003440  -0.000036  -0.000584
    23  H    0.000000   0.000000   0.000000   0.000023   0.000000   0.000000
    24  H    0.000000   0.000000   0.000000  -0.000055   0.000000   0.000000
    25  H    0.000000   0.000000   0.000000   0.000011   0.000000   0.000000
    26  C   -0.000353  -0.000291   0.002925   0.004197  -0.000045  -0.001006
    27  O    0.000091   0.000163   0.000668  -0.003068   0.000003  -0.000706
    28  N   -0.000009  -0.000003  -0.000647   0.004307  -0.000034  -0.001620
    29  H    0.000001   0.000000   0.000018  -0.000159   0.000000  -0.000001
    30  C   -0.000107   0.000035   0.000042  -0.004089  -0.000008  -0.000834
    31  H    0.000000   0.000000   0.000000   0.000085   0.000000   0.000000
    32  H    0.000000   0.000000   0.000001  -0.000304   0.000000   0.000002
    33  H    0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
    34  C   -0.000547   0.000118   0.000923  -0.008447   0.000245   0.010054
    35  H    0.000000   0.000000  -0.000001   0.000852  -0.000001   0.000013
    36  H   -0.000001   0.000001   0.000482  -0.005023   0.000005   0.001350
    37  H    0.000000   0.000000   0.000001  -0.001502   0.000006  -0.000301
    38  C   -0.011523  -0.005799   0.005925  -0.029304   0.002441   0.005652
    39  O    0.012594   0.000181   0.000853   0.036952   0.002122   0.000248
    40  N   -0.066735  -0.028236  -0.069713   0.026633  -0.071808  -0.061221
    41  H    0.000321  -0.000127  -0.000091   0.008190   0.007139  -0.000130
    42  C    0.408985   0.375222   0.402902  -0.117873   0.003014   0.005750
    43  H    0.443095  -0.020037  -0.026532   0.004206  -0.000152   0.000157
    44  H   -0.020037   0.457771  -0.027922  -0.004748  -0.000086  -0.000733
    45  H   -0.026532  -0.027922   0.469356  -0.005807   0.000199   0.005260
    46  C    0.004206  -0.004748  -0.005807   5.566434   0.406012   0.373327
    47  H   -0.000152  -0.000086   0.000199   0.406012   0.457089  -0.023499
    48  H    0.000157  -0.000733   0.005260   0.373327  -0.023499   0.487847
    49  H   -0.000053   0.002769  -0.001855   0.399138  -0.020579  -0.035994
              49
     1  Cs   0.003219
     2  C    0.000013
     3  O    0.000000
     4  N   -0.000003
     5  H    0.000000
     6  C    0.000052
     7  H    0.000000
     8  H    0.000000
     9  H    0.000000
    10  C    0.000014
    11  H    0.000000
    12  H    0.000000
    13  H    0.000000
    14  C    0.000030
    15  O   -0.000001
    16  N   -0.000009
    17  H    0.000000
    18  C    0.000097
    19  H    0.000000
    20  H    0.000000
    21  H    0.000000
    22  C    0.000047
    23  H    0.000000
    24  H    0.000000
    25  H    0.000000
    26  C    0.000156
    27  O    0.000051
    28  N    0.000079
    29  H    0.000000
    30  C    0.000065
    31  H    0.000000
    32  H    0.000000
    33  H    0.000000
    34  C   -0.001336
    35  H   -0.000001
    36  H    0.000045
    37  H    0.000010
    38  C   -0.011564
    39  O   -0.000884
    40  N   -0.039633
    41  H   -0.000102
    42  C   -0.009953
    43  H   -0.000053
    44  H    0.002769
    45  H   -0.001855
    46  C    0.399138
    47  H   -0.020579
    48  H   -0.035994
    49  H    0.474145
 Mulliken charges:
               1
     1  Cs   0.862636
     2  C    0.093087
     3  O   -0.508875
     4  N   -0.013550
     5  H    0.193840
     6  C   -0.608263
     7  H    0.240540
     8  H    0.248468
     9  H    0.242027
    10  C   -0.596823
    11  H    0.240274
    12  H    0.257845
    13  H    0.248749
    14  C    0.017535
    15  O   -0.482070
    16  N    0.012274
    17  H    0.194401
    18  C   -0.604022
    19  H    0.247235
    20  H    0.247202
    21  H    0.256798
    22  C   -0.593957
    23  H    0.243995
    24  H    0.239117
    25  H    0.240684
    26  C    0.019333
    27  O   -0.479113
    28  N   -0.029516
    29  H    0.192262
    30  C   -0.579252
    31  H    0.242962
    32  H    0.240859
    33  H    0.243489
    34  C   -0.575436
    35  H    0.244549
    36  H    0.255062
    37  H    0.248788
    38  C    0.098389
    39  O   -0.496938
    40  N   -0.013492
    41  H    0.194370
    42  C   -0.606679
    43  H    0.257555
    44  H    0.248279
    45  H    0.249686
    46  C   -0.600128
    47  H    0.240703
    48  H    0.243090
    49  H    0.242035
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  Cs   0.862636
     2  C    0.286927
     3  O   -0.508875
     4  N   -0.013550
     6  C    0.122772
    10  C    0.150045
    14  C    0.211935
    15  O   -0.482070
    16  N    0.012274
    18  C    0.147213
    22  C    0.129839
    26  C    0.211594
    27  O   -0.479113
    28  N   -0.029516
    30  C    0.148057
    34  C    0.172963
    38  C    0.292758
    39  O   -0.496938
    40  N   -0.013492
    42  C    0.148841
    46  C    0.125700
 APT charges:
               1
     1  Cs   1.071464
     2  C    1.243102
     3  O   -1.040843
     4  N   -0.874459
     5  H   -0.025891
     6  C    0.407720
     7  H    0.016147
     8  H   -0.030406
     9  H   -0.029362
    10  C    0.313525
    11  H    0.002990
    12  H    0.036222
    13  H   -0.023937
    14  C    1.239748
    15  O   -1.045805
    16  N   -0.887315
    17  H   -0.032474
    18  C    0.333192
    19  H   -0.003070
    20  H   -0.026413
    21  H    0.030694
    22  C    0.412436
    23  H   -0.036256
    24  H   -0.031995
    25  H    0.014506
    26  C    1.242045
    27  O   -1.042640
    28  N   -0.887350
    29  H   -0.035039
    30  C    0.412373
    31  H   -0.044086
    32  H   -0.027442
    33  H    0.016379
    34  C    0.320713
    35  H   -0.037398
    36  H    0.028163
    37  H    0.029374
    38  C    1.239015
    39  O   -1.036007
    40  N   -0.877221
    41  H   -0.026113
    42  C    0.319340
    43  H    0.035117
    44  H   -0.023307
    45  H    0.001755
    46  C    0.412759
    47  H    0.013046
    48  H   -0.037510
    49  H   -0.029489
 Sum of APT charges =   1.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  Cs   1.071464
     2  C    1.217211
     3  O   -1.040843
     4  N   -0.874459
     6  C    0.364099
    10  C    0.328801
    14  C    1.207274
    15  O   -1.045805
    16  N   -0.887315
    18  C    0.334403
    22  C    0.358690
    26  C    1.207006
    27  O   -1.042640
    28  N   -0.887350
    30  C    0.357225
    34  C    0.340853
    38  C    1.212903
    39  O   -1.036007
    40  N   -0.877221
    42  C    0.332906
    46  C    0.358806
 Electronic spatial extent (au):  <R**2>=          11598.5802
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.1004    Y=             -6.3277    Z=              8.4324  Tot=             10.9890
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -144.8620   YY=           -130.1493   ZZ=           -138.6915
   XY=              7.9239   XZ=            -29.6500   YZ=             -1.6448
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.9611   YY=              7.7516   ZZ=             -0.7905
   XY=              7.9239   XZ=            -29.6500   YZ=             -1.6448
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            747.7956  YYY=            187.2750  ZZZ=           -731.1841  XYY=            211.1538
  XXY=            -38.1108  XXZ=           -187.1089  XZZ=            177.3394  YZZ=            132.9487
  YYZ=           -326.9211  XYZ=            -45.9440
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6061.3541 YYYY=          -3653.0612 ZZZZ=          -5933.2943 XXXY=             66.4016
 XXXZ=           1083.9865 YYYX=           -423.6611 YYYZ=            787.0683 ZZZX=           1004.9368
 ZZZY=            941.4720 XXYY=          -1540.1099 XXZZ=          -1778.1212 YYZZ=          -1996.7458
 XXYZ=            102.5169 YYXZ=            587.4618 ZZXY=           -485.8444
 N-N= 1.851249356834D+03 E-N=-6.034026632854D+03  KE= 9.923515995979D+02
  Exact polarizability: 278.085   6.651 272.149  23.327   3.329 282.563
 Approx polarizability: 327.880  15.032 327.896  46.500   9.211 352.836
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Nov 14 06:36:27 2016, MaxMem=  2952790016 cpu:         7.3
 (Enter /mnt/data/applications/G09/g09/l701.exe)
 Compute integral second derivatives.
 ... and contract with generalized density number  0.
 R6Disp: Adding Grimme-D2 dispersion energy 2nd derivatives to the Hessian.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   13203 NPrTT=   67249 LenC2=   11990 LenP2D=   37522.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 D2PCM: PCM CHGder 2nd derivatives, FixD1E=F FixD2E=F DoIter=F DoCFld=F I1PDM=0
 GePol: Maximum number of non-zero 2nd derivatives   =     368
 Leave Link  701 at Mon Nov 14 06:37:16 2016, MaxMem=  2952790016 cpu:       585.4
 (Enter /mnt/data/applications/G09/g09/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Mon Nov 14 06:37:17 2016, MaxMem=  2952790016 cpu:         0.3
 (Enter /mnt/data/applications/G09/g09/l703.exe)
 Compute integral second derivatives, UseDBF=F ICtDFT=           0.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Calling FoFJK, ICntrl=    100527 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=  100527 DoSepK=F KAlg= 0 I1Cent=   0 FoldK=F
 IRaf=         0 NMat=   1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=  100527 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Defaulting to unpruned grid for atomic number  55.
 Leave Link  703 at Mon Nov 14 06:44:39 2016, MaxMem=  2952790016 cpu:      5297.8
 (Enter /mnt/data/applications/G09/g09/l716.exe)
 Dipole        =-1.21980004D+00-2.48952172D+00 3.31757391D+00
 Polarizability= 2.78085406D+02 6.65143261D+00 2.72148942D+02
                 2.33269607D+01 3.32877193D+00 2.82562944D+02
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.6981    0.0007    0.0010    0.0011   14.0998   30.8240
 Low frequencies ---   32.2189   39.9456   43.1434
 Diagonal vibrational polarizability:
      380.8926361     523.2327784     311.8594654
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                      1                      2                      3
                      A                      A                      A
 Frequencies --      9.3935                34.8987                41.8164
 Red. masses --      6.1222                 4.3307                 5.1003
 Frc consts  --      0.0003                 0.0031                 0.0053
 IR Inten    --      1.9281                 0.4152                 0.5709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.02  -0.03   0.04    -0.03   0.04   0.03     0.04   0.00  -0.04
     2   6    -0.10   0.08   0.14     0.09  -0.04  -0.06    -0.01   0.02   0.02
     3   8    -0.14   0.09   0.16     0.12  -0.04  -0.09     0.04   0.00   0.01
     4   7    -0.07   0.07   0.07     0.06  -0.04   0.01     0.00   0.09   0.00
     5   1    -0.08   0.08   0.18     0.08  -0.05  -0.09    -0.05  -0.01   0.04
     6   6    -0.03   0.05   0.06     0.02  -0.04   0.03    -0.07   0.09   0.04
     7   1    -0.02   0.06   0.11     0.02  -0.04  -0.01    -0.12   0.05   0.07
     8   1     0.01   0.03   0.05    -0.02  -0.02   0.04    -0.04   0.07   0.02
     9   1    -0.05   0.05   0.03     0.04  -0.03   0.07    -0.10   0.17   0.04
    10   6    -0.08   0.07   0.01     0.07  -0.04   0.06     0.07   0.16  -0.04
    11   1    -0.05   0.03  -0.02     0.04  -0.03   0.08    -0.01   0.07  -0.01
    12   1    -0.10   0.08   0.00     0.09  -0.04   0.05     0.14   0.16  -0.20
    13   1    -0.11   0.09  -0.01     0.10  -0.05   0.08     0.13   0.29   0.06
    14   6     0.03  -0.05   0.02     0.03   0.00   0.00    -0.10   0.08   0.14
    15   8     0.04  -0.05   0.03     0.05  -0.02   0.00    -0.12   0.15   0.12
    16   7     0.03  -0.03   0.03     0.01   0.02   0.02    -0.07   0.05   0.10
    17   1     0.03  -0.05   0.01     0.02   0.00  -0.02    -0.10   0.04   0.18
    18   6     0.04  -0.02   0.05     0.02   0.03   0.05    -0.06   0.11   0.04
    19   1     0.02  -0.04   0.03    -0.01   0.00   0.04    -0.02   0.08   0.01
    20   1     0.04  -0.01   0.10     0.02   0.02   0.12    -0.08   0.13   0.05
    21   1     0.07   0.02   0.03     0.06   0.06   0.04    -0.07   0.14   0.03
    22   6     0.02  -0.03   0.03    -0.02   0.04   0.01    -0.05  -0.04   0.12
    23   1     0.01  -0.02   0.03    -0.02   0.04   0.02    -0.06  -0.04   0.15
    24   1     0.02  -0.02   0.03    -0.03   0.04   0.02    -0.01  -0.06   0.07
    25   1     0.01  -0.04   0.02    -0.02   0.04  -0.01    -0.05  -0.07   0.17
    26   6     0.02  -0.04   0.01     0.03  -0.03  -0.04     0.04  -0.04  -0.04
    27   8     0.02  -0.05   0.02     0.02  -0.03  -0.03     0.06  -0.03  -0.06
    28   7     0.03  -0.05   0.00     0.01  -0.02  -0.05     0.02  -0.03  -0.02
    29   1     0.01  -0.03   0.00     0.05  -0.02  -0.03     0.03  -0.06  -0.05
    30   6     0.03  -0.04  -0.03     0.01  -0.02  -0.05    -0.01  -0.04  -0.01
    31   1     0.05  -0.03  -0.05    -0.04  -0.05  -0.02     0.01  -0.04  -0.03
    32   1     0.03  -0.05  -0.01    -0.01   0.01  -0.09    -0.02  -0.05   0.04
    33   1     0.00  -0.02  -0.03     0.06  -0.03  -0.03    -0.05  -0.06  -0.03
    34   6     0.03  -0.07  -0.01    -0.01  -0.01  -0.06     0.02   0.00  -0.02
    35   1     0.04  -0.03   0.00    -0.02   0.06  -0.02     0.01   0.00  -0.01
    36   1    -0.01  -0.08  -0.02    -0.07  -0.02  -0.11     0.03   0.02  -0.03
    37   1     0.07  -0.10   0.00     0.03  -0.05  -0.05     0.00   0.01  -0.01
    38   6    -0.02   0.09  -0.20    -0.08  -0.01   0.04    -0.01  -0.12  -0.04
    39   8    -0.03   0.14  -0.16    -0.20   0.06   0.11    -0.01  -0.08  -0.02
    40   7    -0.03   0.07  -0.17    -0.05   0.00   0.00    -0.04  -0.13  -0.01
    41   1     0.00   0.05  -0.25     0.00  -0.08   0.02     0.00  -0.15  -0.09
    42   6    -0.03   0.08  -0.13    -0.10   0.04  -0.02    -0.06  -0.08   0.06
    43   1     0.00   0.10  -0.12    -0.15   0.07  -0.01    -0.06  -0.02   0.07
    44   1    -0.05   0.07  -0.12    -0.11   0.02   0.01    -0.09  -0.13   0.11
    45   1    -0.03   0.09  -0.10    -0.08   0.08  -0.07    -0.05  -0.07   0.04
    46   6     0.02  -0.05  -0.26     0.15  -0.16  -0.16    -0.04  -0.16  -0.03
    47   1     0.01  -0.03  -0.27     0.13  -0.11  -0.06     0.01  -0.24  -0.12
    48   1     0.00  -0.07  -0.40     0.08  -0.23  -0.44     0.01  -0.07   0.00
    49   1     0.12  -0.13  -0.21     0.41  -0.27  -0.11    -0.15  -0.21   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --     45.2985                52.9300                56.7460
 Red. masses --      3.9722                 4.1980                 4.1297
 Frc consts  --      0.0048                 0.0069                 0.0078
 IR Inten    --      6.0460                 3.2865                15.1355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55    -0.01   0.00  -0.02    -0.04  -0.03  -0.03     0.03  -0.01  -0.01
     2   6     0.06   0.15   0.04     0.06   0.06   0.01    -0.04   0.01   0.04
     3   8    -0.07   0.22   0.03     0.11   0.09  -0.09    -0.07   0.00   0.08
     4   7     0.08  -0.01   0.01     0.04   0.07   0.08    -0.02   0.02  -0.02
     5   1     0.18   0.22   0.06     0.02   0.03   0.06    -0.03   0.02   0.04
     6   6     0.25  -0.08   0.00    -0.04   0.03   0.19     0.00   0.02  -0.05
     7   1     0.34   0.02   0.02    -0.07   0.01   0.21     0.01   0.03  -0.03
     8   1     0.23  -0.10  -0.01    -0.10  -0.03   0.19     0.03   0.03  -0.05
     9   1     0.28  -0.19  -0.03    -0.02   0.10   0.28    -0.01   0.01  -0.08
    10   6    -0.07  -0.14  -0.02     0.08   0.12   0.03    -0.03   0.01  -0.03
    11   1     0.07  -0.07  -0.08     0.00   0.02   0.05    -0.01   0.02  -0.04
    12   1    -0.22  -0.12   0.20     0.14   0.14  -0.14    -0.04   0.01  -0.01
    13   1    -0.18  -0.33  -0.18     0.15   0.25   0.13    -0.05   0.01  -0.04
    14   6     0.02   0.03   0.07     0.03  -0.04   0.04    -0.06   0.04   0.01
    15   8     0.01   0.05   0.06     0.05  -0.03   0.04    -0.15   0.06   0.00
    16   7     0.03  -0.01   0.05     0.01  -0.05   0.06     0.00   0.01  -0.05
    17   1     0.03   0.04   0.08     0.02  -0.05   0.03    -0.03   0.05   0.09
    18   6     0.01  -0.03   0.03     0.01  -0.05   0.08    -0.03  -0.01  -0.15
    19   1     0.01  -0.03   0.03    -0.02  -0.08   0.05     0.03   0.02  -0.14
    20   1     0.02  -0.04   0.02     0.02  -0.06   0.14    -0.03  -0.01  -0.26
    21   1    -0.01  -0.03   0.03     0.05  -0.01   0.05    -0.13  -0.05  -0.12
    22   6     0.04  -0.02   0.06    -0.02  -0.07   0.05     0.10   0.00  -0.03
    23   1     0.06  -0.04   0.06    -0.02  -0.07   0.08     0.14  -0.02  -0.07
    24   1     0.03  -0.03   0.05    -0.03  -0.07   0.05     0.11  -0.01  -0.04
    25   1     0.05   0.00   0.07    -0.02  -0.06   0.04     0.11   0.03   0.04
    26   6     0.00   0.01  -0.03    -0.02  -0.02  -0.04     0.00  -0.02   0.05
    27   8     0.00   0.01  -0.02    -0.01  -0.02  -0.03     0.02  -0.01   0.04
    28   7     0.00   0.01  -0.04    -0.02  -0.02  -0.04     0.00  -0.02   0.06
    29   1     0.00   0.02  -0.03    -0.03  -0.01  -0.04     0.00  -0.03   0.04
    30   6     0.01   0.01  -0.03    -0.02  -0.01  -0.05    -0.02  -0.02   0.06
    31   1     0.00   0.01  -0.02    -0.02  -0.02  -0.04     0.00  -0.01   0.05
    32   1     0.01   0.02  -0.05    -0.02  -0.01  -0.06    -0.02  -0.03   0.10
    33   1     0.03   0.01  -0.03     0.00  -0.01  -0.04    -0.05  -0.03   0.05
    34   6     0.00   0.01  -0.04    -0.01  -0.03  -0.04     0.00  -0.01   0.06
    35   1     0.01   0.03  -0.03     0.01  -0.03  -0.05    -0.02  -0.07   0.04
    36   1    -0.01   0.00  -0.04    -0.01  -0.03  -0.03     0.06   0.02   0.08
    37   1     0.01   0.00  -0.03     0.00  -0.03  -0.03    -0.06   0.04   0.05
    38   6    -0.04  -0.06   0.00     0.01   0.02   0.04    -0.01  -0.07   0.09
    39   8    -0.05  -0.07   0.00    -0.01  -0.08  -0.01    -0.14  -0.13   0.09
    40   7    -0.04  -0.04   0.00     0.03   0.08  -0.02     0.05   0.03  -0.01
    41   1    -0.03  -0.07   0.01     0.00   0.07   0.14     0.07  -0.08   0.19
    42   6    -0.06  -0.03   0.00     0.03   0.04  -0.13    -0.04   0.06  -0.15
    43   1    -0.06  -0.04  -0.01    -0.01  -0.04  -0.15    -0.11  -0.03  -0.17
    44   1    -0.09  -0.02  -0.02     0.06   0.09  -0.19    -0.06   0.10  -0.22
    45   1    -0.06  -0.01   0.01     0.04   0.05  -0.14     0.00   0.14  -0.17
    46   6    -0.05  -0.02   0.02     0.05   0.19   0.05     0.21   0.08  -0.02
    47   1    -0.02  -0.05   0.00     0.01   0.26   0.19     0.20   0.12   0.15
    48   1    -0.02   0.02   0.05     0.00   0.10   0.06     0.16   0.02  -0.15
    49   1    -0.10   0.00   0.01     0.14   0.29  -0.03     0.39   0.13  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --     61.4687                62.9953                69.7839
 Red. masses --      4.1351                 4.5250                 6.3248
 Frc consts  --      0.0092                 0.0106                 0.0181
 IR Inten    --      1.9115                11.3518                 0.7556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55    -0.02   0.03   0.04     0.03   0.02   0.02    -0.02  -0.04   0.02
     2   6     0.00  -0.04   0.00     0.01  -0.02   0.03     0.07   0.00   0.13
     3   8     0.02  -0.05   0.00     0.00  -0.04   0.09     0.05  -0.05   0.23
     4   7    -0.01  -0.01   0.02     0.02   0.00   0.00     0.09   0.03   0.07
     5   1    -0.02  -0.05  -0.02     0.01  -0.01   0.01     0.08   0.01   0.08
     6   6    -0.04   0.00   0.02     0.04   0.03  -0.05     0.10   0.07   0.01
     7   1    -0.06  -0.02   0.01     0.03   0.02  -0.05     0.11   0.07  -0.03
     8   1    -0.04   0.01   0.02     0.07   0.05  -0.05     0.11   0.11   0.02
     9   1    -0.05   0.02   0.02     0.02   0.02  -0.09     0.10   0.04  -0.02
    10   6     0.01   0.00   0.05     0.02   0.00   0.01     0.09   0.03   0.10
    11   1    -0.02  -0.01   0.07     0.01   0.01   0.02     0.05   0.02   0.12
    12   1     0.03  -0.01   0.02     0.03   0.00   0.01     0.10   0.04   0.07
    13   1     0.03   0.01   0.08     0.03   0.00   0.02     0.13   0.05   0.14
    14   6     0.02   0.06   0.04     0.00  -0.05  -0.11    -0.07  -0.04  -0.04
    15   8    -0.07   0.05   0.03     0.11  -0.07  -0.09    -0.09  -0.05  -0.04
    16   7     0.07  -0.01  -0.03    -0.05   0.04  -0.03    -0.06  -0.05  -0.06
    17   1     0.08   0.13   0.10    -0.06  -0.10  -0.19    -0.06  -0.03  -0.03
    18   6     0.00  -0.11  -0.12     0.01   0.12   0.10    -0.07  -0.06  -0.08
    19   1     0.06  -0.02  -0.05    -0.04   0.08   0.07    -0.04  -0.02  -0.04
    20   1     0.04  -0.15  -0.33    -0.02   0.16   0.25    -0.07  -0.06  -0.15
    21   1    -0.16  -0.24  -0.05     0.16   0.19   0.05    -0.11  -0.12  -0.05
    22   6     0.18   0.04  -0.01    -0.17   0.05  -0.05    -0.03  -0.03  -0.05
    23   1     0.28  -0.03  -0.06    -0.27   0.12  -0.02    -0.03  -0.02  -0.07
    24   1     0.12   0.03   0.00    -0.13   0.07  -0.03    -0.03  -0.02  -0.04
    25   1     0.23   0.14   0.05    -0.22  -0.04  -0.13    -0.03  -0.02  -0.04
    26   6     0.06  -0.08  -0.09     0.06  -0.05  -0.02     0.01   0.06  -0.18
    27   8     0.10  -0.08  -0.09     0.09  -0.03  -0.04     0.01   0.13  -0.27
    28   7     0.04  -0.08  -0.09     0.03  -0.03   0.01     0.00   0.10  -0.05
    29   1     0.04  -0.09  -0.10     0.05  -0.08  -0.03     0.01  -0.03  -0.18
    30   6     0.01  -0.08  -0.10    -0.01  -0.05   0.02    -0.03   0.01   0.05
    31   1    -0.02  -0.11  -0.10    -0.01  -0.06   0.02    -0.03   0.05   0.11
    32   1    -0.01  -0.04  -0.10    -0.02  -0.04   0.05    -0.04   0.01   0.12
    33   1     0.02  -0.09  -0.09    -0.02  -0.08   0.01    -0.03  -0.09   0.02
    34   6     0.07  -0.07  -0.07     0.04   0.00   0.02     0.00   0.24  -0.03
    35   1     0.09  -0.06  -0.09     0.04   0.01   0.02     0.00   0.38   0.03
    36   1     0.07  -0.07  -0.06     0.06   0.02   0.01    -0.06   0.26  -0.16
    37   1     0.07  -0.07  -0.05     0.02   0.02   0.04     0.04   0.19   0.07
    38   6    -0.04   0.02  -0.02    -0.06  -0.10  -0.01     0.01   0.02   0.00
    39   8     0.00  -0.01  -0.04    -0.08  -0.19  -0.06     0.02   0.04   0.01
    40   7    -0.07   0.04   0.01    -0.08   0.00  -0.02     0.02  -0.01   0.00
    41   1    -0.05   0.02  -0.03    -0.04  -0.09   0.04     0.00   0.03   0.00
    42   6    -0.07   0.05   0.04    -0.14   0.04  -0.06     0.05  -0.03   0.01
    43   1    -0.06   0.06   0.04    -0.15  -0.01  -0.08     0.04  -0.01   0.01
    44   1    -0.08   0.04   0.05    -0.20   0.06  -0.10     0.08  -0.04   0.02
    45   1    -0.07   0.05   0.04    -0.12   0.12  -0.04     0.04  -0.06  -0.01
    46   6    -0.13   0.09   0.06    -0.09   0.13   0.06     0.02  -0.04  -0.02
    47   1    -0.09   0.03  -0.01    -0.04   0.07   0.08     0.00  -0.02  -0.01
    48   1    -0.07   0.16   0.17    -0.04   0.20   0.17     0.00  -0.07  -0.05
    49   1    -0.28   0.11   0.06    -0.20   0.21   0.01     0.07  -0.06  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --     82.0228                83.9760                97.7491
 Red. masses --      5.7913                 4.1633                 3.6679
 Frc consts  --      0.0230                 0.0173                 0.0206
 IR Inten    --     14.8804                 1.5342                11.3651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55    -0.03   0.02  -0.05    -0.02   0.03  -0.03    -0.01   0.00  -0.01
     2   6     0.05  -0.05   0.09    -0.02   0.04  -0.02    -0.01   0.00   0.01
     3   8     0.00  -0.15   0.31    -0.03   0.03   0.00    -0.01   0.01   0.01
     4   7     0.10   0.04  -0.07    -0.02   0.05  -0.04     0.00   0.00   0.00
     5   1     0.06  -0.03   0.00    -0.02   0.04  -0.04    -0.01   0.00   0.03
     6   6     0.11   0.10  -0.17     0.00   0.06  -0.08     0.00  -0.01   0.02
     7   1     0.11   0.11  -0.21    -0.01   0.05  -0.06    -0.01  -0.02   0.05
     8   1     0.12   0.17  -0.15     0.04   0.08  -0.08     0.01  -0.03   0.02
     9   1     0.10   0.06  -0.22    -0.03   0.07  -0.12    -0.01   0.01   0.03
    10   6     0.12   0.06   0.00    -0.01   0.05  -0.03     0.01   0.01  -0.02
    11   1    -0.02  -0.02   0.07    -0.02   0.04  -0.03    -0.01  -0.02  -0.02
    12   1     0.17   0.08  -0.17    -0.01   0.05  -0.05     0.02   0.02  -0.06
    13   1     0.24   0.14   0.14     0.00   0.06  -0.02     0.02   0.05   0.00
    14   6     0.06   0.03   0.03     0.07  -0.08   0.03     0.08   0.13  -0.06
    15   8     0.07   0.04   0.03     0.05  -0.10   0.03     0.19   0.21  -0.06
    16   7     0.04  -0.01   0.04     0.11  -0.02   0.02    -0.04  -0.04  -0.01
    17   1     0.06   0.04   0.02     0.06  -0.12   0.05     0.08   0.20  -0.12
    18   6     0.03  -0.03   0.05     0.12   0.01   0.02    -0.10  -0.18   0.02
    19   1     0.00  -0.04   0.04     0.07  -0.10  -0.07    -0.04   0.06   0.23
    20   1     0.04  -0.04   0.07     0.13   0.00   0.19    -0.06  -0.21  -0.34
    21   1     0.03  -0.01   0.04     0.19   0.15  -0.05    -0.25  -0.51   0.18
    22   6     0.02  -0.02   0.04     0.12  -0.02   0.02    -0.10  -0.03  -0.02
    23   1     0.04  -0.05   0.06     0.13  -0.02   0.01    -0.08  -0.07   0.02
    24   1    -0.02  -0.04   0.02     0.12  -0.02   0.02    -0.17  -0.04  -0.01
    25   1     0.03   0.01   0.03     0.12  -0.01   0.03    -0.08   0.03  -0.07
    26   6    -0.08  -0.01   0.05     0.04  -0.12   0.00     0.05  -0.04   0.03
    27   8    -0.13  -0.05   0.11     0.10  -0.06  -0.08     0.09  -0.02   0.01
    28   7    -0.04  -0.05  -0.04    -0.07  -0.06   0.07    -0.01  -0.02   0.05
    29   1    -0.05   0.07   0.06     0.08  -0.23   0.01     0.06  -0.08   0.04
    30   6     0.02   0.02  -0.11    -0.13  -0.14   0.15    -0.02  -0.04   0.09
    31   1    -0.01  -0.02  -0.10    -0.15  -0.14   0.19    -0.03  -0.04   0.11
    32   1     0.03   0.03  -0.22    -0.15  -0.10   0.20    -0.02  -0.04   0.10
    33   1     0.09   0.09  -0.06    -0.13  -0.22   0.12    -0.02  -0.08   0.08
    34   6    -0.04  -0.16  -0.06    -0.15   0.09   0.06    -0.03   0.04   0.05
    35   1    -0.04  -0.22  -0.09    -0.20   0.19   0.15    -0.05   0.04   0.07
    36   1    -0.05  -0.19   0.01    -0.17   0.13  -0.08    -0.01   0.06   0.02
    37   1    -0.03  -0.16  -0.13    -0.14   0.08   0.11    -0.05   0.06   0.07
    38   6    -0.02   0.03   0.04    -0.01   0.02   0.02    -0.01   0.01   0.00
    39   8    -0.02   0.04   0.04     0.00   0.04   0.03    -0.03   0.04   0.02
    40   7     0.00   0.01   0.02     0.00  -0.01   0.03     0.01  -0.01  -0.01
    41   1    -0.03   0.05   0.05    -0.02   0.03   0.02     0.00   0.00  -0.01
    42   6     0.02  -0.01   0.00     0.02  -0.02   0.03     0.00   0.00  -0.01
    43   1     0.04  -0.04  -0.01     0.01   0.00   0.04     0.00   0.00  -0.01
    44   1     0.02   0.01  -0.03     0.05  -0.03   0.06     0.00   0.00   0.00
    45   1     0.01  -0.02   0.02     0.01  -0.05   0.01     0.00   0.00  -0.01
    46   6    -0.01   0.02   0.03    -0.01  -0.02   0.02     0.01  -0.01  -0.02
    47   1    -0.04   0.06   0.06    -0.05   0.02   0.04     0.04  -0.07  -0.07
    48   1    -0.04  -0.02   0.03    -0.04  -0.07   0.00     0.04   0.05   0.01
    49   1     0.03   0.04   0.01     0.03  -0.02   0.02    -0.07  -0.03   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    107.6462               110.3615               114.2731
 Red. masses --      4.2386                 7.4422                 3.1068
 Frc consts  --      0.0289                 0.0534                 0.0239
 IR Inten    --      4.9433                10.2153                 2.6850
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.03  -0.03  -0.01    -0.04  -0.01  -0.03    -0.01  -0.01   0.02
     2   6     0.01   0.02  -0.03    -0.01  -0.04   0.03     0.03   0.07  -0.11
     3   8     0.02   0.02  -0.04    -0.01  -0.06   0.06     0.06   0.04  -0.08
     4   7     0.01   0.02  -0.03     0.00  -0.01   0.00     0.00   0.07  -0.02
     5   1     0.01   0.01  -0.02    -0.02  -0.05   0.03     0.03   0.10  -0.22
     6   6     0.02   0.03  -0.04    -0.02  -0.02   0.02     0.02   0.18  -0.20
     7   1     0.01   0.02  -0.02    -0.03  -0.04   0.06     0.02   0.17  -0.26
     8   1     0.05   0.03  -0.05     0.01  -0.04   0.01     0.08   0.29  -0.18
     9   1     0.00   0.04  -0.07    -0.03   0.01   0.01    -0.01   0.12  -0.30
    10   6     0.02   0.03  -0.04     0.00  -0.01   0.01    -0.02   0.04   0.09
    11   1     0.02   0.03  -0.04     0.08   0.07  -0.02     0.07   0.23   0.06
    12   1     0.03   0.03  -0.05     0.00  -0.04   0.12    -0.05  -0.01   0.33
    13   1     0.02   0.05  -0.04    -0.07  -0.06  -0.07    -0.11  -0.12  -0.04
    14   6    -0.02  -0.06   0.01    -0.04  -0.05   0.02    -0.02  -0.03   0.02
    15   8    -0.03  -0.05   0.01    -0.07  -0.06   0.02    -0.02  -0.08   0.03
    16   7     0.00  -0.04   0.00    -0.02  -0.03   0.00    -0.03  -0.04   0.03
    17   1    -0.03  -0.09   0.02    -0.04  -0.06   0.04     0.00   0.02   0.00
    18   6     0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.07  -0.11   0.05
    19   1     0.03   0.00  -0.02    -0.03  -0.06  -0.06    -0.05  -0.03   0.13
    20   1    -0.01   0.02   0.00    -0.02   0.00   0.07    -0.04  -0.14  -0.09
    21   1     0.02   0.02  -0.02     0.02   0.08  -0.05    -0.13  -0.23   0.11
    22   6     0.00  -0.06   0.01    -0.01  -0.05   0.01    -0.04   0.00   0.03
    23   1    -0.03  -0.04   0.01    -0.01  -0.04   0.01    -0.01  -0.02   0.02
    24   1     0.04  -0.06   0.00     0.01  -0.05   0.00    -0.08   0.00   0.04
    25   1    -0.02  -0.10   0.02    -0.01  -0.06   0.02    -0.02   0.05   0.01
    26   6    -0.01   0.02  -0.01     0.24   0.09   0.11     0.00   0.00   0.01
    27   8     0.02   0.02  -0.01     0.43   0.01   0.27     0.04  -0.01   0.03
    28   7     0.04   0.01   0.02    -0.01   0.12  -0.07     0.00   0.00   0.01
    29   1    -0.09   0.01  -0.05     0.25   0.14   0.12    -0.04   0.01  -0.01
    30   6     0.00   0.01   0.01     0.00   0.15  -0.11    -0.03   0.01  -0.02
    31   1     0.06   0.04  -0.03    -0.01   0.13  -0.13     0.01   0.02  -0.07
    32   1     0.01  -0.02   0.09     0.00   0.15  -0.15    -0.03  -0.01   0.04
    33   1    -0.08   0.01  -0.02     0.01   0.19  -0.09    -0.10   0.03  -0.04
    34   6     0.14  -0.02   0.07    -0.06   0.10  -0.09     0.06  -0.03   0.03
    35   1     0.18  -0.20  -0.04    -0.08   0.26  -0.01     0.08  -0.11  -0.03
    36   1     0.29   0.02   0.21    -0.21   0.05  -0.18     0.12  -0.02   0.10
    37   1     0.01   0.09   0.07     0.06   0.00  -0.10     0.01   0.02   0.03
    38   6    -0.12   0.10   0.05    -0.03   0.02   0.01     0.03  -0.02  -0.02
    39   8    -0.22   0.23   0.15    -0.03   0.01   0.00     0.05  -0.05  -0.04
    40   7    -0.01  -0.04  -0.04    -0.01  -0.01  -0.01     0.01   0.01   0.00
    41   1    -0.11   0.08   0.03    -0.06   0.05   0.03     0.05  -0.04  -0.03
    42   6    -0.02  -0.03  -0.03     0.02  -0.05  -0.03     0.00   0.03   0.01
    43   1     0.08  -0.13  -0.07     0.02  -0.06  -0.03    -0.02   0.04   0.01
    44   1    -0.11   0.03  -0.14     0.06  -0.04  -0.04    -0.01   0.01   0.02
    45   1    -0.03   0.01   0.10     0.01  -0.08  -0.03     0.00   0.03  -0.01
    46   6    -0.11   0.06   0.05    -0.04   0.00   0.01     0.04  -0.02  -0.03
    47   1     0.00  -0.10  -0.11    -0.10   0.08   0.06     0.06  -0.04  -0.04
    48   1     0.02   0.25   0.28    -0.09  -0.08   0.00     0.05   0.01  -0.05
    49   1    -0.44   0.09   0.06     0.04   0.03  -0.02     0.03  -0.04  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    126.8209               132.4359               149.4161
 Red. masses --      2.4804                 2.5264                 2.6812
 Frc consts  --      0.0235                 0.0261                 0.0353
 IR Inten    --      2.6763                 5.9091                 1.5358
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.01  -0.02   0.02    -0.03   0.01   0.00    -0.02  -0.01  -0.02
     2   6    -0.01   0.03  -0.04     0.01   0.00   0.01     0.00  -0.01   0.01
     3   8     0.02   0.01  -0.03     0.02  -0.02   0.02     0.03  -0.05   0.04
     4   7    -0.03   0.02   0.04     0.01  -0.01   0.02    -0.02   0.00   0.06
     5   1    -0.01   0.04  -0.11     0.01   0.00  -0.01    -0.01   0.00  -0.06
     6   6    -0.03   0.08  -0.05     0.00   0.00   0.02    -0.04   0.02   0.05
     7   1    -0.02   0.08  -0.11     0.01   0.00   0.00    -0.03   0.04  -0.05
     8   1    -0.03   0.15  -0.03    -0.01   0.00   0.02    -0.14   0.06   0.08
     9   1    -0.02   0.04  -0.08     0.01  -0.01   0.03     0.00  -0.02   0.10
    10   6    -0.05   0.00   0.10     0.00  -0.02   0.04    -0.04  -0.04   0.13
    11   1     0.07   0.16   0.06     0.02   0.03   0.04     0.10   0.15   0.07
    12   1    -0.09  -0.05   0.34    -0.02  -0.03   0.11    -0.09  -0.09   0.41
    13   1    -0.16  -0.15  -0.04    -0.03  -0.07   0.01    -0.17  -0.21  -0.05
    14   6     0.00   0.02  -0.01     0.01  -0.03  -0.01     0.03   0.08  -0.01
    15   8     0.04   0.14  -0.03     0.04   0.12  -0.03     0.02   0.01   0.00
    16   7     0.00  -0.03  -0.02     0.02  -0.06  -0.03     0.03   0.10   0.00
    17   1    -0.03  -0.06   0.01    -0.04  -0.15   0.02     0.05   0.14  -0.02
    18   6     0.04   0.08  -0.05     0.07   0.08  -0.07     0.01   0.05   0.04
    19   1     0.06   0.02  -0.12     0.08  -0.03  -0.19    -0.05   0.02   0.03
    20   1     0.00   0.13   0.05     0.02   0.13   0.11     0.04   0.02   0.11
    21   1     0.09   0.18  -0.10     0.16   0.25  -0.15     0.04   0.09   0.03
    22   6    -0.01  -0.10  -0.01     0.01  -0.15  -0.02     0.05   0.17  -0.01
    23   1    -0.10  -0.02   0.00    -0.10  -0.05   0.00     0.14   0.09  -0.02
    24   1     0.11  -0.10  -0.04     0.17  -0.15  -0.05    -0.09   0.17   0.01
    25   1    -0.06  -0.23   0.01    -0.05  -0.32   0.02     0.10   0.32  -0.02
    26   6     0.04  -0.02   0.00    -0.04   0.01  -0.02    -0.02  -0.01  -0.01
    27   8    -0.05  -0.02  -0.01     0.06   0.00   0.01     0.02   0.00  -0.01
    28   7     0.02  -0.02  -0.02    -0.03   0.01   0.01    -0.02   0.00   0.01
    29   1     0.13  -0.02   0.05    -0.16   0.01  -0.07    -0.07  -0.02  -0.04
    30   6     0.06  -0.02  -0.02    -0.09   0.01  -0.01    -0.05  -0.01   0.01
    31   1     0.03  -0.03   0.02    -0.04   0.03  -0.07    -0.02   0.01  -0.02
    32   1     0.06  -0.01  -0.07    -0.09  -0.01   0.07    -0.05  -0.02   0.06
    33   1     0.11  -0.01   0.01    -0.18   0.01  -0.05    -0.10  -0.02  -0.01
    34   6    -0.09   0.00  -0.07     0.11  -0.02   0.07     0.06  -0.01   0.04
    35   1    -0.14   0.19   0.05     0.17  -0.26  -0.08     0.09  -0.16  -0.04
    36   1    -0.28  -0.05  -0.22     0.33   0.03   0.25     0.19   0.02   0.15
    37   1     0.05  -0.13  -0.09    -0.05   0.12   0.08    -0.05   0.08   0.05
    38   6    -0.04   0.03   0.03     0.04  -0.02  -0.02    -0.01  -0.01   0.00
    39   8    -0.03   0.02   0.02     0.04  -0.02  -0.02    -0.01   0.00   0.00
    40   7    -0.01   0.00   0.00     0.01   0.01   0.01     0.03  -0.06  -0.05
    41   1    -0.07   0.07   0.06     0.06  -0.04  -0.04    -0.05   0.04   0.03
    42   6     0.04  -0.06  -0.03    -0.02   0.05   0.04     0.08  -0.11  -0.09
    43   1     0.08  -0.12  -0.05    -0.06   0.11   0.06     0.15  -0.21  -0.12
    44   1     0.05  -0.01  -0.10    -0.02   0.01   0.11     0.06  -0.04  -0.20
    45   1     0.02  -0.08   0.02    -0.01   0.06  -0.01     0.05  -0.12   0.02
    46   6    -0.04   0.02   0.03     0.04  -0.02  -0.02     0.00  -0.02  -0.01
    47   1    -0.14   0.16   0.14     0.10  -0.10  -0.09     0.00  -0.03  -0.03
    48   1    -0.13  -0.13  -0.01     0.09   0.07  -0.03     0.01   0.00   0.05
    49   1     0.12   0.07  -0.02    -0.04  -0.07   0.02    -0.06   0.00  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    161.8659               178.6350               181.1367
 Red. masses --      2.2410                 2.7089                 2.7882
 Frc consts  --      0.0346                 0.0509                 0.0539
 IR Inten    --      1.6077                 1.1280                 0.9033
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55    -0.02  -0.02   0.05     0.05   0.04   0.02    -0.01   0.07  -0.01
     2   6     0.00   0.02  -0.02     0.00  -0.02   0.03    -0.01   0.02  -0.04
     3   8    -0.02   0.05  -0.05     0.03  -0.03   0.01    -0.04   0.00   0.03
     4   7     0.01   0.00  -0.05     0.01   0.00  -0.01    -0.01   0.01  -0.02
     5   1     0.02   0.01   0.03    -0.02  -0.05   0.07     0.03   0.06  -0.12
     6   6     0.05   0.00  -0.07     0.00  -0.02   0.04    -0.03  -0.02   0.03
     7   1     0.04  -0.02   0.01     0.00  -0.02   0.03     0.05   0.06  -0.15
     8   1     0.15  -0.02  -0.10    -0.04  -0.04   0.05    -0.27   0.01   0.10
     9   1     0.00   0.02  -0.15     0.02  -0.02   0.09     0.10  -0.13   0.20
    10   6     0.04   0.03  -0.09     0.01   0.00  -0.05    -0.03  -0.03   0.07
    11   1    -0.18  -0.20   0.00     0.15   0.12  -0.11    -0.17  -0.11   0.14
    12   1     0.10   0.11  -0.46    -0.02  -0.04   0.15    -0.02   0.01  -0.07
    13   1     0.24   0.25   0.16    -0.12  -0.08  -0.20     0.11  -0.01   0.21
    14   6     0.01   0.04  -0.01    -0.01  -0.05   0.01    -0.02  -0.06   0.01
    15   8     0.02   0.06  -0.01     0.02  -0.03   0.01    -0.03  -0.05   0.01
    16   7     0.01   0.02  -0.01     0.00  -0.03   0.01    -0.02  -0.06   0.01
    17   1     0.02   0.04  -0.01    -0.03  -0.09   0.00    -0.03  -0.08   0.02
    18   6     0.02   0.04  -0.01    -0.01  -0.04  -0.01    -0.02  -0.06  -0.01
    19   1    -0.01  -0.01  -0.05     0.09   0.12   0.11     0.02  -0.01   0.02
    20   1     0.02   0.04   0.07    -0.03  -0.01  -0.26    -0.03  -0.05  -0.09
    21   1     0.05   0.10  -0.04    -0.10  -0.24   0.08    -0.06  -0.11   0.01
    22   6     0.03   0.05  -0.02    -0.02  -0.05   0.02    -0.04  -0.10   0.01
    23   1     0.05   0.04  -0.03    -0.08   0.00   0.02    -0.12  -0.04   0.03
    24   1     0.01   0.05   0.00     0.06  -0.04   0.02     0.05  -0.10   0.00
    25   1     0.04   0.07  -0.01    -0.05  -0.14   0.02    -0.08  -0.21   0.02
    26   6    -0.03   0.01  -0.01    -0.10   0.01  -0.04     0.05  -0.01   0.01
    27   8     0.05   0.00   0.02    -0.01  -0.02   0.02    -0.01   0.01  -0.03
    28   7    -0.02   0.01   0.00    -0.11   0.01  -0.04     0.08  -0.01   0.04
    29   1    -0.11   0.02  -0.05    -0.20   0.03  -0.08     0.09  -0.02   0.03
    30   6    -0.03   0.01   0.00    -0.19   0.02  -0.09     0.09  -0.02   0.05
    31   1     0.01   0.03  -0.03    -0.04   0.08  -0.25    -0.04  -0.09   0.14
    32   1    -0.02  -0.01   0.04    -0.16  -0.06   0.11     0.05   0.07  -0.09
    33   1    -0.07   0.01  -0.02    -0.42   0.04  -0.17     0.25  -0.03   0.11
    34   6     0.05   0.00   0.03    -0.05   0.01  -0.01     0.07  -0.02   0.03
    35   1     0.09   0.01   0.00    -0.02   0.09  -0.02     0.05  -0.16  -0.01
    36   1     0.06   0.00   0.06    -0.11  -0.01  -0.03     0.17   0.00   0.09
    37   1     0.05   0.00   0.06     0.00  -0.04   0.03    -0.01   0.05  -0.01
    38   6    -0.04   0.01   0.01    -0.02   0.00   0.00    -0.02   0.00   0.01
    39   8     0.01  -0.03  -0.03    -0.01  -0.01  -0.01     0.01  -0.03  -0.02
    40   7    -0.02  -0.01   0.00     0.00  -0.02  -0.01     0.00  -0.03  -0.01
    41   1    -0.10   0.08   0.05    -0.04   0.03   0.03    -0.08   0.06   0.04
    42   6     0.06  -0.11  -0.06     0.04  -0.07  -0.05     0.07  -0.11  -0.08
    43   1     0.16  -0.23  -0.10     0.13  -0.19  -0.09     0.19  -0.27  -0.13
    44   1     0.07  -0.02  -0.19    -0.01   0.01  -0.18     0.04   0.00  -0.24
    45   1     0.03  -0.14   0.06     0.02  -0.05   0.08     0.04  -0.12   0.09
    46   6    -0.03  -0.03  -0.01    -0.02  -0.01   0.00    -0.01  -0.04  -0.01
    47   1    -0.15   0.12   0.11    -0.07   0.06   0.05    -0.06   0.03   0.04
    48   1    -0.13  -0.20  -0.10    -0.06  -0.09  -0.02    -0.05  -0.11  -0.05
    49   1     0.20  -0.01  -0.05     0.07   0.01  -0.03     0.09  -0.03  -0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    191.2447               203.1562               212.6898
 Red. masses --      1.5879                 1.6335                 1.6107
 Frc consts  --      0.0342                 0.0397                 0.0429
 IR Inten    --      1.1709                 0.6541                 0.4386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.01  -0.01   0.01    -0.02   0.02   0.02     0.02   0.00  -0.03
     2   6     0.00   0.03  -0.05    -0.01  -0.02   0.05    -0.01  -0.01   0.01
     3   8    -0.04   0.02   0.00     0.02   0.00  -0.03    -0.01   0.01  -0.02
     4   7    -0.01  -0.01  -0.01    -0.01  -0.02   0.06    -0.04  -0.05   0.11
     5   1     0.05   0.08  -0.16    -0.04  -0.06   0.12     0.00   0.01  -0.01
     6   6    -0.01   0.00  -0.01     0.02   0.01  -0.02     0.01   0.00  -0.02
     7   1     0.06   0.07  -0.17    -0.10  -0.11   0.26    -0.12  -0.14   0.30
     8   1    -0.18   0.04   0.04     0.37  -0.04  -0.11     0.43  -0.03  -0.13
     9   1     0.10  -0.12   0.09    -0.18   0.19  -0.26    -0.23   0.19  -0.32
    10   6    -0.02  -0.03   0.11     0.01   0.02  -0.04    -0.02  -0.04   0.11
    11   1    -0.31  -0.21   0.24     0.11   0.04  -0.09    -0.15  -0.14   0.16
    12   1     0.02   0.04  -0.22     0.02   0.00   0.02     0.01   0.00  -0.08
    13   1     0.25   0.08   0.39    -0.07   0.04  -0.11     0.09   0.06   0.25
    14   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.02   0.01
    15   8     0.01   0.00   0.00     0.00   0.00   0.00     0.02  -0.03   0.01
    16   7     0.01   0.01   0.00     0.00  -0.01   0.00     0.01   0.02   0.01
    17   1    -0.01  -0.02   0.00    -0.01  -0.03   0.01    -0.02  -0.04   0.00
    18   6     0.01   0.03  -0.01     0.01   0.01  -0.01     0.01   0.03  -0.01
    19   1     0.04   0.06   0.02     0.02   0.01  -0.01     0.10   0.16   0.10
    20   1     0.00   0.04  -0.06     0.00   0.02  -0.01    -0.02   0.06  -0.23
    21   1     0.00  -0.02   0.02     0.01   0.01  -0.01    -0.08  -0.15   0.08
    22   6     0.01   0.01   0.00     0.00  -0.01   0.00    -0.01  -0.01   0.01
    23   1     0.00   0.01   0.00    -0.04   0.03  -0.01    -0.01  -0.02   0.04
    24   1     0.01   0.01   0.00     0.05   0.00   0.00    -0.02  -0.02  -0.01
    25   1     0.00   0.00   0.00    -0.02  -0.07   0.00    -0.01  -0.01   0.01
    26   6    -0.03   0.01  -0.01     0.03   0.00   0.02    -0.02   0.01  -0.01
    27   8     0.02  -0.01   0.03    -0.03   0.00  -0.01     0.01   0.01   0.00
    28   7    -0.06   0.01  -0.03     0.01   0.00   0.00    -0.02   0.01   0.00
    29   1    -0.06   0.02  -0.02     0.10  -0.01   0.05    -0.07   0.01  -0.03
    30   6    -0.04   0.01  -0.03     0.03   0.00   0.00    -0.01   0.01   0.00
    31   1    -0.08   0.00   0.00    -0.03  -0.03   0.05    -0.05  -0.01   0.03
    32   1    -0.04   0.02  -0.08     0.02   0.03  -0.07    -0.02   0.03  -0.05
    33   1     0.01   0.01  -0.01     0.11   0.00   0.03     0.04   0.00   0.02
    34   6    -0.06   0.02  -0.03    -0.05   0.00  -0.03     0.02  -0.01   0.01
    35   1    -0.06   0.09  -0.01    -0.08  -0.04  -0.01     0.03  -0.06  -0.03
    36   1    -0.11   0.01  -0.07    -0.02   0.01  -0.03     0.06   0.00   0.05
    37   1    -0.02  -0.02  -0.02    -0.06   0.02  -0.06    -0.01   0.02   0.01
    38   6     0.04  -0.03  -0.01     0.03  -0.03  -0.01    -0.02   0.02   0.01
    39   8    -0.01   0.01   0.02     0.01  -0.01   0.00     0.00   0.00   0.00
    40   7     0.05  -0.04  -0.04     0.07  -0.06  -0.05    -0.03   0.02   0.02
    41   1     0.07  -0.07  -0.04     0.05  -0.05  -0.02    -0.03   0.03   0.02
    42   6     0.00   0.02  -0.02     0.04  -0.03  -0.06    -0.01   0.00   0.02
    43   1     0.01   0.01  -0.02     0.12  -0.14  -0.10    -0.04   0.05   0.04
    44   1    -0.07   0.01  -0.03    -0.06   0.03  -0.18     0.05  -0.03   0.07
    45   1     0.01   0.07   0.00     0.04   0.03   0.06    -0.01  -0.04  -0.04
    46   6     0.03   0.01   0.00     0.03  -0.01  -0.01    -0.02   0.00   0.00
    47   1     0.16  -0.17  -0.16     0.20  -0.23  -0.20    -0.11   0.12   0.11
    48   1     0.16   0.22   0.16     0.19   0.25   0.17    -0.10  -0.13  -0.08
    49   1    -0.28   0.00   0.04    -0.32  -0.03   0.04     0.17   0.02  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    218.0020               236.6197               245.1134
 Red. masses --      1.5708                 1.2936                 1.2273
 Frc consts  --      0.0440                 0.0427                 0.0434
 IR Inten    --      1.8900                 1.9769                 0.0182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.03   0.02   0.00     0.00   0.01   0.01     0.00  -0.01  -0.01
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7    -0.01  -0.02   0.04     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.04  -0.05   0.10     0.00   0.00   0.01     0.00   0.00   0.00
     8   1     0.13  -0.01  -0.03     0.01   0.00  -0.01     0.00   0.00   0.00
     9   1    -0.07   0.05  -0.09     0.00   0.01  -0.01     0.00   0.00   0.00
    10   6    -0.01  -0.02   0.04     0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.06  -0.06   0.07     0.00   0.00   0.00    -0.01  -0.01   0.00
    12   1     0.00   0.00  -0.03     0.00   0.00   0.00     0.00   0.00  -0.01
    13   1     0.04   0.02   0.10     0.00   0.00   0.00     0.01   0.01   0.01
    14   6     0.00   0.04  -0.02     0.00   0.00   0.00     0.00  -0.01   0.01
    15   8    -0.05   0.03  -0.02     0.00   0.00   0.00     0.02   0.01   0.01
    16   7    -0.03  -0.06  -0.01     0.00  -0.01   0.00    -0.02  -0.05   0.02
    17   1     0.06   0.14   0.00     0.00   0.00   0.00    -0.01  -0.03   0.01
    18   6    -0.04  -0.12   0.05    -0.01  -0.02   0.00    -0.01  -0.02   0.01
    19   1    -0.29  -0.45  -0.20    -0.02  -0.04  -0.02     0.01  -0.01   0.02
    20   1     0.05  -0.23   0.57     0.00  -0.02   0.04    -0.02  -0.01  -0.03
    21   1     0.14   0.30  -0.16     0.01   0.02  -0.01    -0.03  -0.04   0.02
    22   6     0.00   0.00  -0.02     0.00   0.01   0.00     0.03   0.11   0.00
    23   1     0.03  -0.01  -0.06    -0.05   0.08  -0.03    -0.28   0.53  -0.20
    24   1    -0.02   0.01   0.01     0.09   0.03   0.02     0.55   0.24   0.14
    25   1     0.01   0.03  -0.02    -0.03  -0.07   0.01    -0.14  -0.39   0.05
    26   6    -0.02   0.00  -0.01    -0.01   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00    -0.01   0.00   0.01     0.00   0.00   0.00
    28   7    -0.02   0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    29   1    -0.05   0.00  -0.02    -0.03   0.01  -0.01     0.01   0.00   0.00
    30   6    -0.03   0.00  -0.01     0.00   0.00   0.00     0.01   0.00   0.00
    31   1    -0.02   0.01  -0.02     0.01   0.00  -0.02     0.00   0.00   0.02
    32   1    -0.02   0.00   0.00     0.00   0.00   0.01     0.01   0.00  -0.01
    33   1    -0.04   0.00  -0.02    -0.02   0.01  -0.01     0.02   0.00   0.01
    34   6    -0.01   0.00   0.00     0.02   0.00   0.01    -0.01   0.00   0.00
    35   1    -0.01  -0.02  -0.02     0.03   0.07   0.03    -0.01  -0.05  -0.02
    36   1     0.00   0.00   0.01    -0.04  -0.02  -0.02     0.03   0.01   0.02
    37   1    -0.03   0.01   0.00     0.06  -0.04   0.03    -0.03   0.02  -0.01
    38   6     0.00   0.00   0.00    -0.02   0.01   0.00     0.00   0.00   0.00
    39   8     0.00   0.01   0.01    -0.07  -0.03  -0.01     0.01   0.01   0.00
    40   7     0.00  -0.01   0.00     0.03  -0.02  -0.05    -0.01   0.00   0.01
    41   1     0.01  -0.01  -0.01    -0.04   0.06   0.07     0.01  -0.01  -0.01
    42   6    -0.01   0.00   0.00     0.08  -0.05  -0.01    -0.01   0.01   0.01
    43   1     0.03  -0.03  -0.01    -0.25   0.34   0.12     0.02  -0.03  -0.01
    44   1    -0.05   0.02  -0.04     0.43  -0.27   0.40    -0.05   0.03  -0.04
    45   1    -0.01   0.03   0.06     0.10  -0.25  -0.47    -0.01   0.03   0.05
    46   6     0.00   0.00   0.01    -0.01   0.02  -0.02     0.00   0.00   0.00
    47   1    -0.03   0.03   0.03     0.02  -0.02  -0.05    -0.02   0.02   0.02
    48   1    -0.02  -0.03   0.00     0.03   0.07   0.05    -0.02  -0.03  -0.01
    49   1     0.03   0.02  -0.01    -0.10   0.04  -0.02     0.04   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    250.8116               276.9149               279.5190
 Red. masses --      1.4770                 2.1942                 2.1968
 Frc consts  --      0.0547                 0.0991                 0.1011
 IR Inten    --      4.1984                 2.4616                 0.3459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55    -0.01   0.01  -0.02    -0.01   0.01   0.01     0.00   0.00   0.00
     2   6     0.00   0.00  -0.01     0.00   0.00   0.01    -0.03  -0.04   0.09
     3   8     0.00  -0.01   0.01     0.00   0.00   0.00     0.02   0.01  -0.05
     4   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.05   0.13
     5   1     0.00   0.01  -0.03    -0.01  -0.01   0.02    -0.07  -0.09   0.19
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.03   0.02  -0.05
     7   1    -0.03  -0.03   0.06     0.01   0.01  -0.03     0.17   0.17  -0.36
     8   1     0.06  -0.02  -0.02    -0.02   0.02   0.01    -0.18   0.24   0.06
     9   1    -0.04   0.04  -0.03     0.02  -0.02   0.01     0.17  -0.27  -0.01
    10   6    -0.01  -0.01   0.02     0.00   0.00  -0.01     0.01   0.02  -0.03
    11   1    -0.02  -0.01   0.02     0.02   0.01  -0.02     0.09  -0.03  -0.08
    12   1    -0.01   0.00   0.01     0.00   0.00   0.00     0.05   0.01  -0.07
    13   1     0.00  -0.01   0.02    -0.01   0.00  -0.02    -0.06   0.15  -0.06
    14   6     0.00   0.01   0.00     0.00  -0.01   0.00     0.04   0.09  -0.01
    15   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.06   0.01
    16   7     0.00   0.00   0.00     0.00  -0.01   0.00     0.07   0.14  -0.01
    17   1     0.00   0.01   0.00    -0.01  -0.02   0.00     0.09   0.21  -0.02
    18   6    -0.01   0.00  -0.01     0.00   0.01   0.00    -0.01  -0.03  -0.02
    19   1    -0.01  -0.02  -0.03     0.02   0.03   0.01    -0.10  -0.07  -0.04
    20   1     0.00  -0.01   0.01    -0.01   0.02  -0.04     0.09  -0.13   0.00
    21   1    -0.01   0.02  -0.02    -0.01  -0.02   0.01    -0.07   0.01  -0.03
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.07   0.01
    23   1    -0.03   0.03  -0.01     0.02  -0.02   0.00    -0.23   0.04   0.14
    24   1     0.05   0.01   0.00    -0.02   0.00   0.01     0.14  -0.11  -0.10
    25   1    -0.02  -0.05   0.01     0.01   0.03   0.00    -0.13  -0.32   0.01
    26   6    -0.04  -0.01  -0.01     0.00   0.00   0.00    -0.05   0.00  -0.02
    27   8    -0.03  -0.05   0.05     0.00   0.01  -0.01     0.03  -0.01   0.02
    28   7     0.06  -0.03   0.02     0.01   0.00   0.00    -0.06   0.01  -0.03
    29   1    -0.14   0.05  -0.06     0.00   0.00   0.00    -0.11   0.02  -0.05
    30   6     0.00  -0.03   0.00     0.00   0.00   0.00     0.03  -0.01   0.03
    31   1     0.07  -0.01  -0.08    -0.04  -0.03   0.03    -0.02   0.01   0.14
    32   1     0.00  -0.04   0.08    -0.02   0.03  -0.04     0.05  -0.02  -0.07
    33   1    -0.10  -0.02  -0.04     0.05   0.00   0.02     0.15  -0.04   0.07
    34   6     0.11   0.05   0.06     0.01  -0.01   0.01     0.01   0.00   0.00
    35   1     0.19   0.60   0.20     0.02  -0.03  -0.01     0.06   0.04  -0.03
    36   1    -0.28  -0.06  -0.22     0.03  -0.01   0.03    -0.01  -0.02   0.01
    37   1     0.42  -0.25   0.20     0.00   0.00   0.00     0.04  -0.03   0.04
    38   6     0.02  -0.01   0.00     0.08  -0.10  -0.09     0.00   0.00   0.00
    39   8     0.01   0.01   0.01    -0.03   0.07   0.02     0.00   0.00   0.00
    40   7     0.01  -0.01   0.00     0.11  -0.16  -0.12     0.00   0.00   0.00
    41   1     0.03  -0.03  -0.02     0.18  -0.22  -0.19     0.00   0.00   0.00
    42   6    -0.01   0.01  -0.01    -0.03   0.02   0.04     0.00   0.00   0.00
    43   1     0.04  -0.06  -0.03    -0.02   0.13   0.07     0.00   0.01   0.01
    44   1    -0.08   0.04  -0.08    -0.19  -0.09   0.15     0.01   0.00   0.01
    45   1    -0.01   0.05   0.07     0.02   0.14   0.03     0.00   0.00   0.00
    46   6     0.01   0.00   0.01    -0.01   0.05   0.04     0.00   0.00   0.00
    47   1     0.03  -0.03  -0.02    -0.25   0.37   0.35     0.00   0.00   0.00
    48   1     0.03   0.03   0.03    -0.18  -0.30   0.12     0.00   0.00   0.00
    49   1    -0.04  -0.01   0.01     0.29   0.30  -0.17     0.00   0.00   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    281.1404               288.7086               296.8421
 Red. masses --      2.3395                 1.8994                 1.4830
 Frc consts  --      0.1089                 0.0933                 0.0770
 IR Inten    --      3.6106                 2.3713                 0.3876
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00  -0.01   0.01    -0.01   0.00   0.00    -0.01   0.01   0.00
     2   6     0.03   0.04  -0.08     0.00  -0.01   0.00     0.00   0.00   0.00
     3   8    -0.01  -0.01   0.05    -0.02   0.01  -0.01     0.00   0.00   0.00
     4   7     0.05   0.07  -0.15    -0.01  -0.03   0.03    -0.01  -0.01   0.02
     5   1     0.06   0.08  -0.18     0.02   0.01  -0.01     0.01   0.01  -0.02
     6   6    -0.03  -0.02   0.05     0.01  -0.01  -0.01     0.00   0.00   0.00
     7   1    -0.18  -0.17   0.38     0.04   0.01  -0.05     0.01   0.01  -0.01
     8   1     0.17  -0.24  -0.06     0.00   0.02   0.00     0.00   0.01   0.00
     9   1    -0.18   0.29   0.03     0.03  -0.06  -0.02     0.01  -0.02  -0.01
    10   6    -0.02  -0.02   0.01     0.02   0.00   0.03     0.00   0.00   0.01
    11   1    -0.07   0.05   0.05    -0.05  -0.04   0.06    -0.03  -0.02   0.02
    12   1    -0.08  -0.01   0.11     0.06   0.00  -0.07     0.01   0.00  -0.02
    13   1     0.03  -0.18   0.01     0.07   0.07   0.11     0.02   0.02   0.04
    14   6     0.04   0.10  -0.01     0.02   0.04   0.00    -0.01  -0.01   0.00
    15   8    -0.03  -0.06   0.01    -0.01  -0.02   0.00     0.00   0.00   0.00
    16   7     0.07   0.15  -0.01     0.04   0.08  -0.01    -0.02  -0.03   0.00
    17   1     0.09   0.21  -0.02     0.03   0.07  -0.01    -0.01  -0.01   0.00
    18   6    -0.01  -0.02  -0.02     0.00  -0.01  -0.01     0.00   0.01   0.00
    19   1    -0.10  -0.06  -0.04    -0.05  -0.03  -0.01     0.04   0.03   0.01
    20   1     0.10  -0.13  -0.01     0.06  -0.08   0.00    -0.03   0.04  -0.01
    21   1    -0.07   0.01  -0.03    -0.03  -0.01  -0.01     0.01   0.00   0.01
    22   6    -0.04  -0.07   0.01    -0.01  -0.02   0.00     0.00   0.00   0.00
    23   1    -0.23   0.04   0.15    -0.10   0.03   0.07     0.03  -0.01  -0.02
    24   1     0.14  -0.11  -0.11     0.07  -0.04  -0.05    -0.02   0.01   0.02
    25   1    -0.14  -0.33   0.01    -0.06  -0.14   0.00     0.01   0.04   0.00
    26   6    -0.03   0.00  -0.02     0.11  -0.02   0.06    -0.04   0.00  -0.02
    27   8     0.02   0.00  -0.01    -0.05   0.03  -0.04     0.04  -0.01   0.00
    28   7    -0.05   0.00  -0.02     0.13  -0.02   0.08    -0.06   0.00  -0.03
    29   1    -0.05  -0.01  -0.03     0.24  -0.06   0.12    -0.11  -0.01  -0.05
    30   6     0.03   0.00   0.02    -0.07   0.03  -0.08     0.14  -0.01   0.06
    31   1     0.05   0.05   0.07     0.20   0.08  -0.44     0.55   0.35  -0.09
    32   1     0.06  -0.05   0.01    -0.07  -0.04   0.30     0.28  -0.32   0.45
    33   1     0.05  -0.01   0.02    -0.52   0.11  -0.22    -0.30  -0.01  -0.11
    34   6    -0.01  -0.01   0.00    -0.03   0.00   0.00    -0.03  -0.03  -0.02
    35   1     0.01  -0.04  -0.03    -0.16  -0.09   0.08    -0.02  -0.05  -0.04
    36   1     0.01  -0.01   0.03     0.02   0.05  -0.03    -0.04  -0.05   0.01
    37   1    -0.03   0.00   0.00    -0.09   0.07  -0.09    -0.03  -0.04  -0.04
    38   6     0.01  -0.01  -0.01     0.00   0.00   0.00     0.01   0.00   0.00
    39   8     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.01  -0.01  -0.01     0.00  -0.01   0.00     0.01  -0.01   0.00
    41   1     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    42   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    44   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    45   1     0.00   0.01   0.00     0.00   0.01   0.00     0.00   0.01   0.00
    46   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   1    -0.01   0.02   0.02    -0.01   0.01   0.01     0.00   0.00   0.00
    48   1    -0.01  -0.01   0.01    -0.01  -0.01   0.01     0.00   0.00   0.01
    49   1     0.01   0.02  -0.01     0.01   0.01  -0.01    -0.01   0.01   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    336.0041               343.0696               343.3883
 Red. masses --      3.2992                 3.0496                 3.0330
 Frc consts  --      0.2195                 0.2115                 0.2107
 IR Inten    --     18.6320                 2.3329                40.9423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.01   0.00  -0.01    -0.01   0.00   0.03
     3   8     0.00   0.00   0.00    -0.04   0.02   0.00     0.06  -0.02  -0.01
     4   7     0.00   0.00   0.00     0.01  -0.02   0.01     0.00   0.03  -0.01
     5   1     0.00   0.00   0.00     0.04   0.02  -0.02    -0.06  -0.04   0.07
     6   6     0.00   0.00   0.00    -0.01   0.00  -0.01     0.02   0.01   0.01
     7   1     0.00   0.00   0.00    -0.03  -0.02  -0.02     0.04   0.03   0.00
     8   1     0.00   0.00   0.00    -0.01   0.01  -0.01     0.00   0.00   0.01
     9   1     0.00   0.00   0.00    -0.02   0.01  -0.01     0.04  -0.02   0.02
    10   6     0.00   0.00   0.00     0.04   0.01   0.01    -0.06  -0.01  -0.01
    11   1     0.00   0.00   0.00     0.07   0.04   0.00    -0.09  -0.06   0.00
    12   1     0.01   0.00   0.00     0.07  -0.02   0.04    -0.10   0.02  -0.05
    13   1     0.00   0.00   0.00     0.02   0.02  -0.01    -0.02  -0.04   0.01
    14   6     0.01   0.10   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.20  -0.14   0.05     0.01  -0.01   0.00    -0.02   0.01   0.00
    16   7    -0.14  -0.04   0.07     0.00   0.00   0.00     0.00  -0.01   0.00
    17   1     0.06   0.37  -0.18     0.00   0.01  -0.01     0.01   0.00   0.01
    18   6    -0.16   0.08  -0.19    -0.01   0.00  -0.01     0.01   0.00   0.01
    19   1    -0.04  -0.12  -0.43    -0.01  -0.01  -0.02     0.02   0.02   0.03
    20   1    -0.21   0.13  -0.05     0.00   0.00   0.00     0.00   0.01   0.00
    21   1    -0.22   0.37  -0.31    -0.01   0.01  -0.01     0.02  -0.03   0.02
    22   6     0.06  -0.02   0.10     0.00   0.00   0.00     0.00   0.00  -0.01
    23   1     0.16  -0.07   0.01     0.01  -0.01   0.00    -0.01   0.01  -0.01
    24   1     0.08  -0.03   0.08     0.00   0.00   0.00    -0.01   0.01   0.00
    25   1     0.09   0.03   0.21     0.00   0.00   0.01    -0.01   0.00  -0.01
    26   6     0.01   0.00   0.01     0.04   0.00   0.00    -0.08   0.00   0.00
    27   8     0.01   0.02  -0.02    -0.07  -0.06   0.07     0.12   0.10  -0.12
    28   7    -0.01   0.00   0.01    -0.02   0.00  -0.08     0.04  -0.01   0.13
    29   1     0.03  -0.03   0.02     0.15   0.05   0.06    -0.28  -0.09  -0.10
    30   6    -0.01   0.01  -0.01     0.00  -0.05   0.01     0.00   0.09  -0.02
    31   1    -0.01   0.00  -0.02     0.03   0.01   0.04    -0.05  -0.02  -0.07
    32   1    -0.01   0.02  -0.02     0.01  -0.08   0.08    -0.01   0.14  -0.15
    33   1     0.00   0.03   0.00    -0.04  -0.10  -0.02     0.08   0.19   0.04
    34   6    -0.01  -0.03   0.01     0.04   0.10  -0.04    -0.07  -0.17   0.06
    35   1    -0.01  -0.02   0.01     0.06  -0.02  -0.11    -0.11   0.01   0.18
    36   1    -0.03  -0.04   0.02     0.21   0.17   0.01    -0.35  -0.30  -0.01
    37   1     0.01  -0.04   0.00    -0.09   0.20   0.04     0.14  -0.34  -0.07
    38   6     0.00   0.00   0.00    -0.05   0.01   0.03    -0.02   0.00   0.02
    39   8     0.00   0.00   0.00     0.18   0.11   0.02     0.10   0.06   0.02
    40   7     0.00   0.00   0.00    -0.04  -0.10   0.03    -0.02  -0.05   0.02
    41   1    -0.01   0.01   0.01    -0.20   0.11  -0.02    -0.09   0.04  -0.01
    42   6     0.00   0.00   0.00    -0.17  -0.06  -0.16    -0.10  -0.02  -0.10
    43   1     0.00   0.00   0.00    -0.50   0.04  -0.10    -0.30   0.01  -0.07
    44   1     0.00   0.00   0.00    -0.01  -0.12  -0.02    -0.01  -0.05  -0.04
    45   1     0.00   0.01   0.00    -0.08  -0.01  -0.49    -0.05   0.01  -0.29
    46   6     0.00   0.00   0.00     0.05  -0.01   0.06     0.03  -0.01   0.04
    47   1     0.01  -0.01  -0.01     0.08  -0.02   0.13     0.06  -0.05   0.03
    48   1     0.01   0.01   0.00     0.06   0.01   0.05     0.05   0.03   0.04
    49   1    -0.01   0.00   0.00     0.08   0.05   0.02    -0.01   0.00   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    350.0564               352.4455               362.8857
 Red. masses --      2.5316                 2.8871                 2.3660
 Frc consts  --      0.1828                 0.2113                 0.1836
 IR Inten    --     35.2149                18.0652                32.8483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.04  -0.09   0.18    -0.05  -0.02   0.11     0.00   0.00   0.00
     3   8    -0.07   0.09  -0.10     0.18  -0.07  -0.04     0.01   0.00   0.00
     4   7     0.07   0.01  -0.16    -0.01   0.12  -0.07     0.00   0.01   0.00
     5   1    -0.13  -0.26   0.69    -0.23  -0.19   0.34    -0.01  -0.01   0.02
     6   6    -0.04   0.00  -0.05     0.08   0.04   0.01     0.01   0.00   0.00
     7   1    -0.08  -0.03  -0.05     0.13   0.09   0.05     0.01   0.00   0.00
     8   1    -0.07  -0.03  -0.05     0.07  -0.04  -0.01     0.00   0.00   0.00
     9   1    -0.04   0.08   0.02     0.10  -0.01   0.02     0.01   0.00   0.00
    10   6     0.10  -0.02   0.12    -0.21  -0.04  -0.01    -0.01   0.00   0.00
    11   1     0.00   0.18   0.22    -0.40  -0.24   0.07    -0.02  -0.01   0.01
    12   1     0.11  -0.07   0.26    -0.35   0.10  -0.19    -0.02   0.01  -0.01
    13   1     0.20  -0.21   0.16    -0.01  -0.14   0.16     0.00   0.00   0.01
    14   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.09   0.18  -0.03
    15   8     0.00   0.00   0.00     0.02   0.00   0.00    -0.11  -0.07  -0.02
    16   7     0.00   0.00   0.00     0.00   0.01   0.00    -0.05  -0.17  -0.01
    17   1     0.00  -0.01   0.00    -0.01  -0.02  -0.01     0.30   0.65  -0.04
    18   6     0.00   0.00   0.00    -0.01   0.00  -0.01     0.09   0.06   0.08
    19   1     0.00   0.00   0.01    -0.02  -0.02  -0.03     0.26   0.23   0.19
    20   1     0.00   0.00   0.00     0.00  -0.01   0.00    -0.11   0.29  -0.03
    21   1     0.00  -0.01   0.01    -0.02   0.02  -0.02     0.22  -0.11   0.15
    22   6     0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.04  -0.02
    23   1     0.00   0.00   0.00     0.01   0.00   0.01     0.00   0.00  -0.09
    24   1    -0.01   0.00   0.00     0.01   0.00   0.00     0.04   0.00   0.03
    25   1     0.00   0.00   0.00     0.01   0.00   0.01    -0.01  -0.07  -0.01
    26   6     0.01   0.00   0.01    -0.01   0.00  -0.02     0.02  -0.01   0.01
    27   8     0.00   0.01  -0.02    -0.03  -0.05   0.06    -0.01  -0.01   0.00
    28   7    -0.02   0.00   0.00     0.06  -0.01  -0.01    -0.01   0.00   0.00
    29   1     0.04  -0.02   0.02    -0.06   0.06  -0.04     0.06  -0.02   0.03
    30   6     0.00   0.01   0.00     0.01  -0.03   0.00    -0.02   0.00  -0.02
    31   1     0.02   0.03   0.00     0.04  -0.02  -0.03    -0.02  -0.01  -0.03
    32   1     0.02  -0.01   0.01     0.00  -0.03   0.06    -0.01   0.01  -0.03
    33   1    -0.01   0.01   0.00    -0.04  -0.04  -0.03    -0.02   0.02  -0.01
    34   6     0.01  -0.02   0.01    -0.01   0.09  -0.03     0.01   0.02   0.01
    35   1     0.04   0.03   0.00    -0.08  -0.06  -0.02     0.02   0.02   0.00
    36   1    -0.04  -0.05   0.01     0.16   0.18  -0.03     0.02   0.03   0.01
    37   1     0.05  -0.06   0.02    -0.15   0.21  -0.04    -0.01   0.03   0.04
    38   6     0.00   0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.01
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01  -0.01
    40   7     0.00   0.00   0.00     0.00  -0.01   0.00     0.01  -0.01  -0.01
    41   1     0.00   0.00   0.01    -0.03   0.03   0.02    -0.03   0.04   0.03
    42   6     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.01   0.01
    43   1     0.02  -0.01   0.00     0.00   0.01   0.01     0.01   0.01   0.01
    44   1    -0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.02   0.00   0.01
    45   1     0.00   0.01   0.02     0.00   0.01   0.00     0.00   0.02   0.02
    46   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   1     0.00   0.00  -0.01     0.00   0.01   0.01     0.00   0.00   0.00
    48   1     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    49   1     0.00   0.00   0.00     0.02   0.01  -0.01     0.00   0.00  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    366.4029               371.1333               426.9224
 Red. masses --      2.3497                 2.3555                 2.4721
 Frc consts  --      0.1859                 0.1912                 0.2655
 IR Inten    --     29.6647                19.2463                 3.3936
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00  -0.01     0.01  -0.01   0.00     0.00   0.00   0.00
     3   8    -0.01   0.00   0.00    -0.05   0.03   0.00     0.00   0.00   0.00
     4   7     0.00  -0.01   0.00     0.02  -0.03   0.00     0.00   0.00   0.00
     5   1     0.02   0.01  -0.02     0.05   0.01   0.00     0.00   0.00   0.01
     6   6    -0.01   0.00   0.00    -0.03   0.00  -0.01    -0.01   0.01   0.00
     7   1    -0.01  -0.01  -0.01    -0.05  -0.03  -0.02    -0.02   0.00  -0.01
     8   1    -0.01   0.01   0.00    -0.03   0.02   0.00    -0.01   0.01   0.00
     9   1    -0.01   0.00   0.00    -0.04   0.03   0.00    -0.01   0.02   0.00
    10   6     0.02   0.00   0.00     0.06   0.01   0.01    -0.01  -0.01   0.00
    11   1     0.03   0.02  -0.01     0.11   0.08  -0.01    -0.02  -0.03   0.00
    12   1     0.03  -0.01   0.02     0.09  -0.04   0.10    -0.02   0.00  -0.02
    13   1     0.00   0.01  -0.02     0.01  -0.01  -0.05     0.00  -0.01   0.01
    14   6     0.00  -0.01   0.00     0.01   0.02   0.00     0.00   0.01  -0.01
    15   8     0.01   0.01   0.00     0.00  -0.01   0.00     0.00   0.00  -0.01
    16   7     0.00   0.01   0.00    -0.01  -0.01   0.00    -0.01   0.00   0.00
    17   1    -0.02  -0.04   0.00     0.03   0.07  -0.01     0.01   0.04  -0.02
    18   6     0.00  -0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.02
    19   1    -0.02  -0.01   0.00     0.02   0.02   0.00    -0.01   0.02   0.04
    20   1     0.01  -0.02   0.00    -0.02   0.03  -0.01    -0.01   0.01   0.02
    21   1    -0.01   0.00   0.00     0.01   0.00   0.00     0.02  -0.02   0.03
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.01   0.00
    23   1     0.00   0.00   0.01     0.00   0.00  -0.01     0.03  -0.01  -0.01
    24   1     0.00   0.00   0.00     0.01   0.00   0.01     0.04  -0.02  -0.01
    25   1     0.00   0.00   0.00     0.00  -0.01   0.01     0.02  -0.02   0.03
    26   6    -0.03   0.01  -0.01    -0.16   0.03  -0.09     0.02   0.08  -0.01
    27   8     0.01   0.00   0.01     0.05  -0.04   0.07    -0.01   0.05   0.04
    28   7     0.03   0.00   0.01     0.19  -0.04   0.06     0.06   0.05  -0.04
    29   1    -0.10   0.02  -0.05    -0.59   0.14  -0.29     0.01   0.11  -0.02
    30   6     0.01   0.00   0.00     0.03  -0.03   0.00    -0.08  -0.08   0.10
    31   1     0.00  -0.02  -0.01    -0.02  -0.12  -0.05    -0.12  -0.07   0.18
    32   1     0.00   0.01   0.00    -0.02   0.06  -0.01    -0.14  -0.03   0.30
    33   1     0.01   0.00   0.00     0.06  -0.02   0.01    -0.13  -0.29   0.02
    34   6    -0.01   0.00  -0.01    -0.07   0.07  -0.05     0.03  -0.08  -0.10
    35   1    -0.05  -0.01   0.02    -0.31  -0.16   0.09     0.02  -0.10  -0.10
    36   1    -0.01   0.01  -0.02     0.10   0.19  -0.11    -0.09  -0.17  -0.03
    37   1    -0.02   0.02  -0.03    -0.24   0.24  -0.19     0.12  -0.15  -0.21
    38   6    -0.12   0.15   0.10     0.02  -0.02  -0.02     0.07   0.01   0.05
    39   8     0.04  -0.08  -0.05    -0.01   0.01   0.01     0.00  -0.03   0.05
    40   7     0.11  -0.11  -0.11    -0.02   0.02   0.02     0.08   0.03   0.01
    41   1    -0.43   0.53   0.39     0.07  -0.08  -0.06     0.10  -0.01   0.06
    42   6    -0.03   0.07   0.07     0.01  -0.01  -0.01     0.01   0.09  -0.10
    43   1     0.06   0.12   0.07     0.00  -0.02  -0.01    -0.17   0.06  -0.09
    44   1    -0.32  -0.01   0.11     0.05   0.00  -0.02     0.03   0.10  -0.10
    45   1     0.02   0.26   0.17     0.00  -0.04  -0.02     0.06   0.16  -0.23
    46   6     0.02  -0.03  -0.03     0.00   0.01   0.00    -0.13  -0.09  -0.01
    47   1    -0.01   0.00  -0.03     0.00   0.00   0.01    -0.28   0.03  -0.17
    48   1     0.00  -0.07   0.05     0.00   0.01  -0.01    -0.21  -0.26   0.07
    49   1     0.00   0.02  -0.06     0.00   0.00   0.01    -0.15  -0.20   0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --    428.9428               430.2222               438.8846
 Red. masses --      2.4784                 2.4240                 2.5124
 Frc consts  --      0.2687                 0.2643                 0.2851
 IR Inten    --      2.6262                 3.6885                 4.6249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.11  -0.01  -0.06    -0.01   0.00   0.00     0.00   0.00   0.00
     3   8    -0.04  -0.08  -0.04    -0.01   0.00   0.00     0.00   0.00   0.00
     4   7    -0.10   0.06  -0.05    -0.01   0.00   0.00     0.00   0.00   0.00
     5   1    -0.13  -0.02  -0.08    -0.01   0.00  -0.01     0.00   0.00   0.00
     6   6     0.18  -0.12   0.03     0.01  -0.01   0.00     0.00   0.00   0.00
     7   1     0.38   0.07   0.19     0.02   0.00   0.01     0.00   0.00   0.00
     8   1     0.23  -0.32  -0.04     0.01  -0.02   0.00     0.00   0.00   0.00
     9   1     0.25  -0.33  -0.01     0.02  -0.02   0.00     0.00   0.00   0.00
    10   6     0.02   0.17   0.10     0.01   0.01   0.01     0.00   0.00   0.00
    11   1     0.06   0.41   0.12     0.01   0.04   0.00     0.00   0.00   0.00
    12   1     0.20   0.02   0.24     0.02   0.00   0.03     0.00   0.00   0.00
    13   1    -0.01   0.19   0.07     0.00   0.01   0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00  -0.01   0.01    -0.08   0.00  -0.09
    15   8     0.00   0.00   0.00     0.00   0.00   0.01     0.02   0.00  -0.09
    16   7     0.00   0.00   0.00     0.01  -0.01   0.01    -0.09   0.09  -0.04
    17   1     0.00   0.00   0.00    -0.01  -0.04   0.02    -0.12  -0.06  -0.11
    18   6     0.00   0.00   0.00     0.00   0.00  -0.02    -0.09   0.03   0.16
    19   1     0.00   0.00   0.01     0.01  -0.02  -0.04    -0.19   0.16   0.32
    20   1     0.00   0.00   0.00     0.01  -0.01  -0.02    -0.08   0.02   0.17
    21   1     0.00   0.00   0.00    -0.02   0.02  -0.03     0.06  -0.14   0.23
    22   6     0.00   0.00   0.00    -0.02   0.01   0.00     0.20  -0.10   0.04
    23   1     0.00   0.00   0.00    -0.03   0.01   0.01     0.30  -0.14  -0.06
    24   1     0.01   0.00   0.00    -0.05   0.02   0.02     0.42  -0.17  -0.13
    25   1     0.00   0.00   0.01    -0.02   0.02  -0.04     0.21  -0.17   0.37
    26   6    -0.01   0.01  -0.01    -0.02  -0.08   0.01     0.00  -0.02   0.00
    27   8     0.00   0.00   0.00     0.00  -0.06  -0.03     0.00  -0.01  -0.01
    28   7     0.01   0.01  -0.01    -0.06  -0.05   0.03    -0.01  -0.01   0.01
    29   1    -0.03   0.02  -0.02     0.00  -0.11   0.02     0.00  -0.02   0.00
    30   6     0.00  -0.01   0.02     0.08   0.07  -0.10     0.02   0.02  -0.02
    31   1    -0.03  -0.02   0.05     0.12   0.06  -0.18     0.03   0.02  -0.03
    32   1    -0.01   0.01   0.01     0.14   0.02  -0.30     0.03   0.00  -0.06
    33   1     0.02  -0.04   0.02     0.13   0.28  -0.02     0.03   0.06   0.00
    34   6     0.00  -0.01  -0.01    -0.02   0.09   0.10     0.00   0.01   0.02
    35   1     0.00  -0.01  -0.01    -0.01   0.05   0.08     0.00   0.02   0.02
    36   1    -0.01  -0.02  -0.01     0.14   0.19   0.05     0.02   0.03   0.01
    37   1     0.01  -0.02  -0.03    -0.14   0.19   0.21    -0.02   0.03   0.04
    38   6     0.00   0.00   0.00     0.07   0.01   0.04     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00  -0.03   0.05     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.08   0.03   0.01     0.00   0.00   0.00
    41   1     0.00   0.00   0.00     0.10  -0.01   0.05     0.01  -0.01   0.00
    42   6     0.00   0.00   0.00     0.01   0.09  -0.09     0.00   0.00   0.00
    43   1     0.00   0.00   0.00    -0.16   0.06  -0.08     0.00   0.00   0.00
    44   1     0.00   0.00   0.01     0.03   0.10  -0.09     0.00   0.00   0.00
    45   1     0.00   0.00  -0.01     0.06   0.16  -0.22     0.00   0.00   0.00
    46   6     0.00   0.00   0.00    -0.13  -0.09  -0.01     0.00   0.00   0.00
    47   1     0.01   0.00   0.00    -0.29   0.04  -0.15    -0.01   0.00   0.00
    48   1     0.00   0.00   0.00    -0.21  -0.27   0.07     0.00   0.00   0.00
    49   1     0.00   0.00   0.00    -0.13  -0.19   0.06     0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    644.4634               645.5074               647.2723
 Red. masses --      5.3751                 5.3880                 5.4036
 Frc consts  --      1.3153                 1.3227                 1.3339
 IR Inten    --     12.8714                15.2391                15.4953
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.02  -0.01    -0.04   0.22   0.09     0.00   0.00   0.00
     3   8    -0.03  -0.01  -0.01     0.27   0.12   0.13     0.00   0.00   0.00
     4   7     0.01   0.01   0.01    -0.11  -0.09  -0.06     0.00   0.00   0.00
     5   1     0.00  -0.02  -0.01    -0.05   0.21   0.08     0.00   0.00   0.00
     6   6     0.02   0.03   0.02    -0.18  -0.30  -0.19     0.00  -0.01   0.00
     7   1     0.01   0.03   0.02    -0.14  -0.26  -0.17     0.00   0.00   0.00
     8   1     0.02   0.03   0.02    -0.17  -0.25  -0.18     0.00   0.00   0.00
     9   1     0.02   0.03   0.02    -0.17  -0.27  -0.16     0.00  -0.01   0.00
    10   6     0.00   0.00   0.00     0.00   0.04   0.02     0.00   0.00   0.00
    11   1     0.00  -0.03  -0.01    -0.02   0.28   0.08     0.00   0.00   0.00
    12   1    -0.02   0.01  -0.01     0.24  -0.10   0.07     0.00   0.00   0.00
    13   1     0.00  -0.02  -0.01     0.01   0.19   0.08     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.15   0.09   0.17
    15   8     0.00   0.00   0.00     0.00   0.00  -0.01     0.14  -0.04   0.29
    16   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.01  -0.15
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.16   0.09   0.16
    18   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.01   0.04
    19   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.19   0.12   0.21
    20   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.03   0.19
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.22  -0.11   0.09
    22   6     0.00   0.00   0.00     0.00   0.00   0.01     0.03  -0.06  -0.39
    23   1     0.00   0.00   0.00     0.00   0.00   0.01     0.01  -0.06  -0.36
    24   1     0.00   0.00   0.00     0.00   0.00   0.01     0.05  -0.05  -0.36
    25   1     0.00   0.00   0.00     0.00   0.00   0.01     0.03  -0.08  -0.33
    26   6     0.00   0.00   0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
    27   8     0.00   0.00   0.00    -0.01  -0.05   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.01   0.02   0.01     0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
    30   6     0.00   0.00   0.00    -0.01   0.06   0.03     0.00   0.00   0.00
    31   1     0.00   0.00   0.00    -0.02   0.04   0.03     0.00   0.00   0.00
    32   1     0.00   0.00   0.00    -0.01   0.05   0.02     0.00   0.00   0.00
    33   1     0.00   0.00   0.00     0.00   0.05   0.03     0.01   0.01   0.00
    34   6     0.00   0.00   0.00     0.00   0.00  -0.01     0.00   0.00   0.00
    35   1     0.00   0.00   0.00     0.00  -0.03  -0.01     0.00  -0.01   0.00
    36   1     0.00   0.00   0.00    -0.02  -0.03   0.02     0.00   0.00   0.00
    37   1    -0.01   0.01   0.00     0.02  -0.02  -0.05     0.00   0.00   0.00
    38   6    -0.06  -0.17   0.16    -0.01  -0.02   0.02     0.00   0.00   0.00
    39   8     0.21  -0.01   0.25     0.02   0.00   0.03     0.00   0.00   0.00
    40   7    -0.06   0.03  -0.14    -0.01   0.00  -0.01     0.00   0.00   0.00
    41   1    -0.06  -0.18   0.14    -0.01  -0.02   0.01     0.00   0.00   0.00
    42   6     0.00  -0.03   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.22   0.12   0.05     0.02   0.01   0.01     0.00   0.00   0.00
    44   1    -0.01  -0.13   0.17     0.00  -0.01   0.02     0.00   0.00   0.00
    45   1    -0.09  -0.18   0.20    -0.01  -0.02   0.02     0.00   0.00   0.00
    46   6    -0.13   0.18  -0.33    -0.01   0.02  -0.03     0.00   0.00   0.00
    47   1    -0.09   0.16  -0.29    -0.01   0.02  -0.03     0.00   0.00   0.00
    48   1    -0.12   0.18  -0.30    -0.01   0.02  -0.03     0.00   0.00   0.00
    49   1    -0.12   0.16  -0.31    -0.01   0.02  -0.03     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --    650.6684               848.8756               849.7530
 Red. masses --      5.4518                 4.1946                 4.2329
 Frc consts  --      1.3599                 1.7809                 1.8008
 IR Inten    --     16.9820                 2.7154                 3.3656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.01   0.04   0.01     0.02  -0.01   0.00    -0.01   0.00   0.00
     3   8     0.05   0.02   0.02     0.00   0.00   0.00     0.00   0.00   0.00
     4   7    -0.02  -0.01  -0.01     0.01   0.00   0.00     0.00   0.00   0.00
     5   1    -0.01   0.04   0.01     0.02  -0.01   0.01    -0.01   0.00   0.00
     6   6    -0.03  -0.05  -0.03     0.00  -0.01  -0.01     0.00   0.00   0.00
     7   1    -0.02  -0.04  -0.03    -0.01  -0.01  -0.01     0.00   0.01   0.00
     8   1    -0.03  -0.05  -0.03     0.00  -0.01   0.00     0.00   0.00   0.00
     9   1    -0.03  -0.05  -0.02     0.00  -0.01   0.00     0.00   0.00   0.00
    10   6     0.00   0.01   0.01    -0.01   0.02   0.00     0.01  -0.01   0.00
    11   1     0.00   0.04   0.01    -0.01   0.00   0.00     0.01   0.00   0.00
    12   1     0.04  -0.02   0.01    -0.03   0.03   0.00     0.01  -0.01   0.00
    13   1     0.00   0.03   0.02    -0.02   0.01   0.00     0.01   0.00   0.00
    14   6     0.00   0.00   0.00     0.29  -0.11   0.05    -0.02   0.01   0.00
    15   8     0.00   0.00   0.00    -0.07   0.03  -0.02     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.10  -0.04   0.08    -0.01   0.00  -0.01
    17   1     0.00   0.00   0.00     0.32  -0.16   0.16    -0.02   0.01  -0.01
    18   6     0.00   0.00   0.00    -0.31   0.14   0.10     0.02  -0.01  -0.01
    19   1     0.00   0.00   0.00    -0.13   0.05  -0.05     0.01   0.00   0.00
    20   1     0.00   0.00   0.00    -0.27   0.10  -0.05     0.02  -0.01   0.00
    21   1     0.00   0.00   0.00    -0.52   0.23   0.06     0.03  -0.01  -0.01
    22   6     0.00   0.00   0.00     0.04  -0.04  -0.16     0.00   0.00   0.01
    23   1     0.00   0.00   0.00     0.00  -0.02  -0.13     0.00   0.00   0.01
    24   1     0.00   0.00   0.00     0.01  -0.02  -0.12     0.00   0.00   0.01
    25   1     0.00   0.00   0.00     0.04  -0.05  -0.27     0.00   0.00   0.02
    26   6    -0.09   0.09   0.21    -0.02  -0.02   0.03     0.04   0.05  -0.06
    27   8     0.06   0.32   0.01     0.00   0.01  -0.01    -0.01  -0.02   0.01
    28   7    -0.04  -0.15  -0.06     0.00  -0.01   0.01     0.01   0.03  -0.02
    29   1    -0.08   0.08   0.21    -0.02  -0.03   0.03     0.05   0.08  -0.06
    30   6     0.07  -0.35  -0.19    -0.01   0.01   0.01     0.01  -0.04  -0.03
    31   1     0.09  -0.30  -0.16    -0.01   0.01   0.01     0.01  -0.03  -0.02
    32   1     0.05  -0.32  -0.17     0.00   0.01   0.01     0.01  -0.03  -0.02
    33   1     0.06  -0.28  -0.17    -0.01   0.02   0.02     0.01  -0.06  -0.04
    34   6    -0.01   0.03   0.04     0.02   0.01  -0.04    -0.04  -0.01   0.09
    35   1     0.00   0.15   0.08     0.01   0.02  -0.03    -0.04  -0.05   0.07
    36   1     0.13   0.17  -0.13     0.03   0.02  -0.06    -0.07  -0.04   0.13
    37   1    -0.14   0.11   0.28     0.01   0.01  -0.01    -0.02  -0.03   0.03
    38   6     0.00   0.00   0.00     0.03   0.02   0.00     0.24   0.19   0.03
    39   8     0.00   0.00   0.00    -0.01   0.00   0.00    -0.06  -0.04  -0.02
    40   7     0.00   0.00   0.00     0.01   0.00   0.01     0.11   0.04   0.05
    41   1     0.00   0.00   0.00     0.04   0.01   0.01     0.35   0.15   0.09
    42   6     0.00   0.00   0.00    -0.02  -0.03   0.01    -0.22  -0.26   0.08
    43   1     0.00   0.00   0.00    -0.04  -0.04   0.01    -0.39  -0.38   0.07
    44   1     0.00   0.00   0.00    -0.02  -0.02   0.00    -0.22  -0.16  -0.04
    45   1     0.00   0.00   0.00    -0.01  -0.01   0.00    -0.12  -0.08  -0.04
    46   6     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.02   0.09  -0.13
    47   1    -0.01   0.01   0.00    -0.01   0.01  -0.02    -0.06   0.12  -0.22
    48   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.04   0.07  -0.13
    49   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.03   0.05  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --    850.3653               850.9167               981.0235
 Red. masses --      4.2086                 4.2772                 1.6135
 Frc consts  --      1.7931                 1.8247                 0.9149
 IR Inten    --      2.7715                 1.9875                 1.2289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.03   0.02   0.00     0.27  -0.16   0.02    -0.02  -0.03   0.07
     3   8     0.01   0.00   0.00    -0.07   0.03  -0.01     0.00   0.01  -0.02
     4   7    -0.02   0.00   0.00     0.13  -0.02   0.04     0.01   0.01  -0.01
     5   1    -0.05   0.02  -0.01     0.36  -0.14   0.10     0.09   0.12  -0.29
     6   6     0.01   0.02   0.01    -0.05  -0.14  -0.08     0.00   0.00   0.00
     7   1     0.01   0.03   0.01    -0.10  -0.21  -0.14     0.00  -0.01   0.01
     8   1     0.01   0.02   0.01    -0.07  -0.11  -0.07     0.00  -0.01  -0.01
     9   1     0.01   0.01   0.01    -0.05  -0.09  -0.05     0.00   0.00   0.01
    10   6     0.03  -0.03  -0.01    -0.23   0.28   0.05     0.00   0.00   0.01
    11   1     0.02   0.00   0.00    -0.16   0.06  -0.02     0.04  -0.04  -0.02
    12   1     0.05  -0.05   0.00    -0.41   0.39   0.04    -0.01   0.02  -0.03
    13   1     0.03  -0.02   0.00    -0.25   0.13  -0.02    -0.03   0.03  -0.01
    14   6    -0.04   0.01  -0.01    -0.02   0.01   0.00     0.00   0.00   0.00
    15   8     0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    16   7    -0.01   0.01  -0.01    -0.01   0.00  -0.01     0.00   0.00   0.00
    17   1    -0.04   0.02  -0.02    -0.03   0.01  -0.01     0.01   0.01   0.00
    18   6     0.04  -0.02  -0.01     0.03  -0.01  -0.01     0.00   0.00   0.00
    19   1     0.02  -0.01   0.01     0.01   0.00   0.00     0.00   0.00   0.00
    20   1     0.03  -0.01   0.01     0.02  -0.01   0.00     0.00   0.00   0.00
    21   1     0.07  -0.03  -0.01     0.04  -0.02  -0.01     0.00   0.00   0.00
    22   6    -0.01   0.01   0.02     0.00   0.00   0.01     0.00   0.00   0.00
    23   1     0.00   0.00   0.02     0.00   0.00   0.01     0.00   0.00   0.00
    24   1     0.00   0.00   0.02     0.00   0.00   0.01     0.00   0.00   0.00
    25   1     0.00   0.01   0.04     0.00   0.00   0.02     0.00   0.00   0.00
    26   6    -0.14  -0.15   0.22    -0.01  -0.02   0.03    -0.18   0.03  -0.09
    27   8     0.03   0.05  -0.05     0.00   0.01  -0.01     0.05  -0.01   0.02
    28   7    -0.02  -0.11   0.06     0.00  -0.01   0.01     0.04  -0.01   0.02
    29   1    -0.16  -0.28   0.21    -0.02  -0.03   0.02     0.81  -0.13   0.38
    30   6    -0.04   0.12   0.10     0.00   0.01   0.01     0.00   0.00   0.00
    31   1    -0.03   0.11   0.06     0.00   0.01   0.01     0.00  -0.01  -0.02
    32   1    -0.02   0.10   0.06     0.00   0.01   0.00    -0.01   0.01   0.02
    33   1    -0.05   0.22   0.14     0.00   0.03   0.02    -0.01   0.00   0.00
    34   6     0.15   0.05  -0.31     0.02   0.01  -0.04    -0.01  -0.01   0.00
    35   1     0.12   0.15  -0.23     0.01   0.02  -0.03     0.05   0.03  -0.04
    36   1     0.24   0.15  -0.44     0.03   0.02  -0.05     0.02   0.00   0.02
    37   1     0.05   0.10  -0.08     0.01   0.01  -0.01    -0.01  -0.01   0.06
    38   6     0.07   0.05   0.01     0.01   0.01   0.00     0.00   0.00   0.00
    39   8    -0.02  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.03   0.01   0.01     0.01   0.00   0.00     0.00   0.00   0.00
    41   1     0.10   0.04   0.03     0.02   0.01   0.00     0.00   0.00   0.00
    42   6    -0.06  -0.07   0.02    -0.01  -0.01   0.00     0.00   0.00   0.00
    43   1    -0.10  -0.10   0.02    -0.02  -0.02   0.00     0.00   0.00   0.00
    44   1    -0.06  -0.04  -0.01    -0.01  -0.01   0.00     0.00   0.00   0.00
    45   1    -0.04  -0.02  -0.01    -0.01   0.00   0.00     0.00   0.00   0.00
    46   6    -0.01   0.03  -0.04     0.00   0.01  -0.01     0.00   0.00   0.00
    47   1    -0.02   0.04  -0.06     0.00   0.01  -0.01     0.00   0.00   0.00
    48   1    -0.01   0.02  -0.03     0.00   0.00  -0.01     0.00   0.00   0.00
    49   1    -0.01   0.01  -0.03     0.00   0.00  -0.01     0.00   0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --    983.0617               984.5927               988.0919
 Red. masses --      1.6368                 1.6046                 1.6232
 Frc consts  --      0.9320                 0.9165                 0.9337
 IR Inten    --      2.8018                 1.5206                 3.2874
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.06   0.08  -0.19     0.00   0.00   0.00     0.00   0.00   0.00
     3   8    -0.01  -0.02   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     4   7    -0.02  -0.02   0.04     0.00   0.00   0.00     0.00   0.00   0.00
     5   1    -0.24  -0.33   0.80     0.00   0.00   0.00     0.00  -0.01   0.01
     6   6     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.01   0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     8   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     9   1     0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.06   0.05   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    12   1     0.00  -0.02   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.06  -0.05   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.08  -0.20   0.02     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.02   0.05  -0.01     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.02   0.05   0.00     0.00   0.00   0.00
    17   1     0.00   0.01   0.00     0.37   0.88  -0.10     0.00   0.00   0.00
    18   6     0.00   0.00   0.00     0.00  -0.01   0.01     0.00   0.00   0.00
    19   1     0.00   0.00   0.00     0.08  -0.01  -0.02     0.00  -0.01  -0.01
    20   1     0.00   0.00   0.00    -0.06   0.06  -0.02     0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.03  -0.01     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.00  -0.01     0.00   0.00   0.00
    23   1     0.00   0.00   0.00    -0.01   0.00   0.01     0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.01  -0.01  -0.02     0.00   0.00   0.00
    25   1     0.00   0.00   0.00     0.00  -0.01   0.00     0.00   0.00   0.00
    26   6    -0.07   0.01  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.02   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.02   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.31  -0.05   0.15    -0.02   0.00  -0.01     0.01   0.00   0.00
    30   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    32   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
    33   1    -0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    34   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.02   0.01  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    36   1     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    38   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.12   0.15   0.11
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.03  -0.04  -0.02
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.03  -0.04
    41   1    -0.01   0.01   0.01     0.00   0.00   0.00     0.55  -0.64  -0.46
    42   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
    43   1     0.00   0.00   0.00     0.00   0.00   0.00     0.04  -0.01  -0.01
    44   1     0.00   0.00   0.00     0.00   0.00   0.00     0.09   0.03   0.00
    45   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.09   0.01
    46   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.01
    47   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.03
    48   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.03
    49   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.02  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1069.1553              1069.7561              1070.4206
 Red. masses --      1.6212                 1.6076                 1.6506
 Frc consts  --      1.0919                 1.0839                 1.1143
 IR Inten    --     48.0010                40.3038                60.6009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
     5   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
     7   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
     8   1     0.00   0.00   0.00     0.00  -0.01   0.00     0.01  -0.01   0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.02  -0.01
    10   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    11   1     0.00   0.00   0.00     0.00  -0.01   0.00     0.01  -0.03   0.00
    12   1     0.00   0.00   0.00    -0.01   0.01   0.00    -0.03   0.02   0.00
    13   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.02  -0.01
    14   6     0.05  -0.03   0.02     0.00   0.00   0.00    -0.01   0.00   0.00
    15   8     0.00   0.00   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.04  -0.02  -0.10     0.00   0.00   0.00    -0.01   0.00   0.02
    17   1     0.09   0.00   0.08     0.00   0.00   0.00    -0.01   0.00  -0.01
    18   6    -0.10   0.01  -0.11     0.00   0.00   0.00     0.02   0.00   0.02
    19   1    -0.32   0.31   0.26    -0.01   0.01   0.01     0.05  -0.05  -0.04
    20   1    -0.19   0.10   0.34    -0.01   0.00   0.01     0.03  -0.02  -0.06
    21   1     0.57  -0.27  -0.01     0.02  -0.01   0.00    -0.09   0.05   0.00
    22   6     0.01   0.02   0.11     0.00   0.00   0.00     0.00   0.00  -0.02
    23   1    -0.10   0.07   0.18     0.00   0.00   0.00     0.02  -0.02  -0.04
    24   1    -0.10   0.00   0.10     0.00   0.00   0.00     0.02   0.00  -0.02
    25   1    -0.03  -0.01  -0.11     0.00   0.00   0.00     0.00   0.00   0.03
    26   6    -0.01  -0.01   0.01     0.00   0.00   0.00    -0.03  -0.04   0.04
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.02  -0.01
    28   7     0.00   0.01   0.01     0.00   0.00   0.00    -0.02   0.08   0.08
    29   1     0.00  -0.02   0.01     0.00  -0.01   0.00    -0.02  -0.13   0.04
    30   6     0.00  -0.02  -0.01     0.00   0.00   0.00     0.02  -0.10  -0.05
    31   1     0.01  -0.02  -0.02     0.00   0.00   0.00     0.07  -0.10  -0.13
    32   1     0.00  -0.01  -0.02     0.00   0.00   0.00     0.01  -0.07  -0.13
    33   1     0.00   0.02   0.00     0.00   0.00   0.00     0.01   0.08   0.01
    34   6     0.00   0.02  -0.01     0.00   0.01   0.00     0.02   0.14  -0.04
    35   1     0.01  -0.04  -0.04     0.00  -0.01  -0.01     0.07  -0.26  -0.24
    36   1    -0.05  -0.04   0.08    -0.01  -0.01   0.02    -0.31  -0.23   0.46
    37   1     0.06  -0.01  -0.08     0.01   0.00  -0.02     0.34  -0.09  -0.46
    38   6     0.00   0.00   0.00    -0.06  -0.02  -0.01     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.01  -0.02     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.01  -0.08   0.09     0.00   0.01   0.00
    41   1     0.01   0.00   0.00    -0.05  -0.06  -0.10    -0.01   0.00   0.00
    42   6     0.00   0.00   0.00     0.11   0.03   0.10    -0.01   0.00   0.00
    43   1     0.02   0.01   0.00    -0.49  -0.37   0.05     0.01   0.01   0.00
    44   1     0.00  -0.01   0.01     0.01   0.28  -0.29     0.01  -0.01   0.01
    45   1    -0.01  -0.01   0.01     0.29   0.32  -0.32    -0.01  -0.01   0.01
    46   6     0.00   0.00   0.00    -0.05   0.04  -0.10     0.01   0.00   0.00
    47   1     0.00   0.00   0.00     0.07  -0.04   0.12    -0.01   0.02  -0.03
    48   1     0.00   0.00   0.01     0.02   0.15  -0.07     0.00  -0.03   0.04
    49   1     0.00   0.00   0.00     0.03   0.16  -0.19    -0.02  -0.01   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1074.7778              1088.4881              1089.8267
 Red. masses --      1.5821                 1.5507                 1.5485
 Frc consts  --      1.0768                 1.0825                 1.0836
 IR Inten    --     51.9542                93.9545               148.6570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.05  -0.02   0.02    -0.12   0.05  -0.02     0.01  -0.01   0.00
     3   8     0.01   0.02   0.01     0.00  -0.02  -0.01     0.00   0.00   0.00
     4   7    -0.02  -0.10  -0.06     0.07  -0.01   0.03    -0.01   0.00   0.00
     5   1     0.11   0.02   0.01    -0.21  -0.01  -0.04     0.02   0.00   0.00
     6   6     0.07   0.07   0.04     0.12  -0.08  -0.02    -0.01   0.01   0.00
     7   1    -0.10  -0.09  -0.05    -0.31  -0.49  -0.29     0.03   0.05   0.03
     8   1    -0.07   0.10   0.08    -0.20   0.27   0.15     0.02  -0.03  -0.02
     9   1     0.02   0.25   0.11    -0.03   0.53   0.18     0.00  -0.06  -0.02
    10   6    -0.13  -0.02  -0.04     0.00   0.05   0.02     0.00  -0.01   0.00
    11   1    -0.11   0.48   0.04     0.03  -0.08  -0.02     0.00   0.01   0.00
    12   1     0.46  -0.39   0.02    -0.08   0.10   0.00     0.01  -0.01   0.00
    13   1    -0.03   0.38   0.18    -0.01  -0.04  -0.02     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    20   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    21   1    -0.01   0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.01
    25   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.01
    26   6     0.00   0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7    -0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.01
    29   1     0.02   0.01   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    30   6     0.00  -0.02   0.01     0.00   0.00   0.00     0.00  -0.01   0.00
    31   1     0.02  -0.05  -0.06     0.00   0.01   0.01     0.01  -0.01  -0.01
    32   1     0.00   0.00  -0.06     0.00   0.00   0.01     0.00  -0.01  -0.01
    33   1    -0.02   0.09   0.04     0.01  -0.02  -0.01     0.00   0.01   0.00
    34   6     0.00   0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    35   1     0.02  -0.01  -0.03     0.00   0.00   0.00     0.00  -0.01  -0.01
    36   1    -0.01  -0.01   0.03     0.00   0.00   0.00    -0.02  -0.01   0.02
    37   1     0.02  -0.01  -0.01     0.00   0.00  -0.01     0.02   0.00  -0.03
    38   6     0.00   0.00   0.00     0.01   0.01   0.00     0.11   0.06   0.03
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.02
    40   7     0.00   0.00   0.00    -0.01   0.00   0.00    -0.06  -0.02  -0.03
    41   1     0.00   0.00   0.00     0.02   0.01   0.01     0.15   0.07   0.12
    42   6     0.00   0.00   0.00     0.00   0.00  -0.01     0.02   0.03  -0.05
    43   1    -0.01   0.00   0.00     0.01   0.02   0.00     0.07   0.11  -0.03
    44   1     0.00   0.00   0.00    -0.01  -0.01   0.01    -0.06  -0.06   0.06
    45   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.01  -0.01   0.05
    46   6     0.00   0.00   0.00    -0.01  -0.01   0.00    -0.11  -0.09   0.01
    47   1     0.00   0.00   0.00     0.03  -0.04   0.06     0.23  -0.33   0.53
    48   1     0.00   0.00   0.00     0.01   0.04  -0.03     0.10   0.38  -0.23
    49   1     0.00   0.00   0.00     0.02   0.03  -0.03     0.17   0.30  -0.31
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1091.1799              1097.7286              1108.0640
 Red. masses --      1.5265                 1.5095                 1.2439
 Frc consts  --      1.0709                 1.0717                 0.8998
 IR Inten    --    112.2806               105.5810                 0.5416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.01   0.01   0.01     0.00   0.00   0.00
     5   1     0.00   0.00   0.00    -0.02   0.00  -0.02     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.01  -0.01   0.00     0.00   0.00   0.00
     7   1     0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00   0.00
     8   1     0.00   0.00   0.00     0.02   0.02   0.01    -0.01  -0.01   0.00
     9   1     0.00   0.00   0.00    -0.02  -0.03  -0.03     0.00   0.01   0.01
    10   6     0.00   0.00   0.00     0.02   0.01  -0.01     0.00   0.00   0.00
    11   1     0.00   0.00   0.00    -0.04  -0.03   0.01     0.01   0.00   0.00
    12   1     0.00   0.00   0.00    -0.07   0.05   0.03     0.00   0.00   0.00
    13   1     0.00   0.00   0.00     0.06  -0.11  -0.01    -0.01   0.01   0.00
    14   6     0.11  -0.05   0.04    -0.01   0.00   0.00     0.00   0.00   0.00
    15   8    -0.01   0.01   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    16   7    -0.05   0.03  -0.04     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.15  -0.05   0.12     0.00   0.01  -0.01     0.00   0.00   0.00
    18   6     0.03  -0.02  -0.04     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.04   0.02   0.02     0.01   0.00   0.00     0.00   0.00   0.00
    20   1     0.00   0.01   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.08  -0.04  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    22   6    -0.14   0.04  -0.01     0.01   0.00   0.00     0.00   0.00   0.00
    23   1     0.30  -0.20  -0.35    -0.01   0.01   0.02     0.00   0.00   0.00
    24   1     0.33  -0.05  -0.25    -0.01   0.00   0.01     0.00   0.00   0.00
    25   1    -0.03   0.09   0.68     0.00  -0.01  -0.03     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.05   0.08  -0.08     0.00   0.00   0.00
    27   8     0.00   0.00   0.00    -0.01   0.01   0.02     0.00   0.00   0.00
    28   7     0.00   0.00   0.00    -0.04  -0.06   0.03     0.00   0.00   0.00
    29   1     0.00   0.01   0.00     0.05   0.17  -0.07     0.00   0.00   0.00
    30   6     0.00   0.00   0.01    -0.03  -0.06   0.12     0.00   0.00   0.00
    31   1     0.01  -0.01  -0.02     0.22  -0.19  -0.44    -0.01  -0.01   0.00
    32   1     0.00   0.00  -0.02     0.06  -0.08  -0.41     0.00   0.01   0.01
    33   1    -0.01   0.02   0.01    -0.12   0.56   0.29     0.00  -0.01   0.00
    34   6     0.00   0.00   0.00     0.01  -0.01  -0.05    -0.01   0.00   0.00
    35   1     0.00   0.00   0.00     0.03   0.03  -0.04     0.01   0.02  -0.01
    36   1     0.01   0.00  -0.01     0.04   0.00  -0.04     0.01   0.00   0.01
    37   1    -0.01   0.00   0.01    -0.02  -0.01   0.06     0.00  -0.01   0.02
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.01
    40   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.02  -0.01
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.04   0.08   0.07
    42   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.04   0.04
    43   1     0.00   0.00   0.00    -0.01  -0.01   0.00     0.06  -0.17  -0.03
    44   1     0.00   0.00   0.00     0.01   0.01  -0.01     0.37   0.23  -0.11
    45   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.16  -0.27  -0.03
    46   6     0.00   0.00   0.00     0.00   0.00   0.00     0.05  -0.09  -0.06
    47   1     0.00   0.00  -0.01     0.00   0.00   0.00    -0.11   0.14   0.17
    48   1     0.00   0.00   0.00     0.00   0.00   0.00     0.12  -0.11   0.50
    49   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.25   0.34  -0.35
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1117.0941              1123.7854              1124.7425
 Red. masses --      1.2536                 1.2501                 1.2369
 Frc consts  --      0.9217                 0.9302                 0.9219
 IR Inten    --      8.7948                 6.2040                 8.9511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.01   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7    -0.01   0.03   0.00     0.00   0.00   0.00     0.00  -0.01   0.00
     5   1    -0.03  -0.05   0.11     0.00   0.00   0.00     0.01   0.01  -0.02
     6   6     0.01   0.03  -0.08     0.00   0.00   0.00     0.00   0.00   0.02
     7   1    -0.02  -0.01   0.21     0.00   0.00   0.01     0.00   0.00  -0.04
     8   1    -0.19  -0.35  -0.14    -0.01  -0.02  -0.01     0.04   0.08   0.03
     9   1     0.15   0.17   0.30     0.01   0.01   0.01    -0.03  -0.03  -0.07
    10   6     0.00  -0.06   0.09     0.00   0.00   0.00     0.00   0.01  -0.02
    11   1     0.34  -0.22  -0.13     0.01  -0.01  -0.01    -0.06   0.05   0.02
    12   1     0.07   0.00  -0.23     0.00   0.00  -0.01     0.00  -0.01   0.04
    13   1    -0.37   0.40  -0.10    -0.01   0.01  -0.01     0.07  -0.07   0.02
    14   6     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.02  -0.02  -0.02     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.04   0.10   0.00     0.01   0.02   0.00
    18   6     0.00   0.00   0.00     0.01   0.11  -0.01     0.00   0.02   0.00
    19   1     0.00   0.00   0.00    -0.39   0.02   0.02    -0.07   0.00   0.00
    20   1     0.00   0.00   0.00     0.45  -0.35  -0.01     0.08  -0.06   0.00
    21   1     0.00   0.00   0.00    -0.18  -0.14   0.11    -0.03  -0.03   0.02
    22   6     0.00   0.00   0.00    -0.03  -0.08   0.03     0.00  -0.01   0.01
    23   1     0.00   0.00   0.00     0.04   0.10  -0.41     0.01   0.02  -0.07
    24   1     0.00   0.00   0.00     0.02   0.14   0.39     0.00   0.02   0.07
    25   1     0.00   0.00   0.00     0.06   0.18  -0.03     0.01   0.03  -0.01
    26   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.01  -0.02
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7    -0.01   0.00   0.01     0.00   0.00   0.00    -0.03   0.00   0.02
    29   1     0.00   0.02  -0.01    -0.02   0.00  -0.01     0.11   0.00   0.04
    30   6    -0.02  -0.01   0.00     0.01   0.00   0.01    -0.07  -0.02  -0.03
    31   1     0.05   0.06  -0.01    -0.01  -0.06  -0.04     0.09   0.33   0.20
    32   1     0.03  -0.08  -0.07    -0.02   0.05   0.02     0.12  -0.30  -0.14
    33   1     0.03   0.06   0.04    -0.03   0.00  -0.01     0.15   0.02   0.06
    34   6     0.02   0.00   0.00    -0.02   0.00   0.00     0.11   0.00   0.02
    35   1    -0.07  -0.03   0.08     0.07   0.03  -0.08    -0.39  -0.15   0.45
    36   1    -0.01   0.00  -0.06     0.02   0.00   0.05    -0.09   0.00  -0.27
    37   1     0.00   0.03  -0.06     0.00  -0.03   0.06     0.00   0.15  -0.33
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    42   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.02   0.00
    44   1     0.00   0.00   0.00     0.00   0.00   0.00     0.03   0.02  -0.01
    45   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02   0.00
    46   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    48   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
    49   1     0.01  -0.01   0.01     0.00   0.00   0.00    -0.01   0.01  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1152.5788              1159.9981              1168.0473
 Red. masses --      1.3880                 1.3688                 1.3605
 Frc consts  --      1.0864                 1.0852                 1.0936
 IR Inten    --      8.1586                 4.0769                 5.2825
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.01   0.01  -0.02     0.00   0.00   0.00
     3   8     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.03   0.06  -0.07     0.00   0.00   0.00
     5   1     0.00   0.00   0.00    -0.05  -0.04   0.05     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.02  -0.06   0.09     0.00   0.00   0.00
     7   1     0.00   0.00  -0.01     0.03  -0.01  -0.30     0.00   0.00   0.00
     8   1     0.01   0.02   0.01     0.24   0.43   0.16     0.00   0.00   0.00
     9   1    -0.01  -0.01  -0.02    -0.22  -0.19  -0.41     0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.02  -0.05   0.07     0.00   0.00   0.00
    11   1     0.02  -0.01  -0.01     0.26  -0.10  -0.10     0.00   0.00   0.00
    12   1     0.01   0.00  -0.01     0.11  -0.04  -0.19     0.00   0.00   0.00
    13   1    -0.02   0.02   0.00    -0.29   0.34  -0.06     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.01
    16   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.09  -0.02
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.04   0.06   0.01
    18   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.09  -0.01
    19   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.30  -0.02  -0.01
    20   1     0.00   0.00   0.00     0.00   0.00   0.00     0.37  -0.28  -0.01
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.18  -0.11   0.10
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.11  -0.01
    23   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.15   0.51
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.17  -0.46
    25   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.09  -0.24   0.11
    26   6     0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    29   1     0.00   0.01   0.00    -0.02   0.01  -0.01     0.00   0.00   0.00
    30   6    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    31   1     0.01   0.04   0.02     0.02   0.03   0.00     0.00   0.00   0.00
    32   1     0.01  -0.03  -0.02     0.01  -0.03  -0.02     0.00   0.00   0.00
    33   1     0.02   0.01   0.01     0.02   0.02   0.02     0.00   0.00   0.00
    34   6     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    35   1    -0.01   0.01   0.01     0.03   0.01  -0.04     0.00   0.00   0.00
    36   1     0.01   0.00   0.00     0.01   0.00   0.02     0.00   0.00   0.00
    37   1     0.00   0.00   0.00     0.00  -0.01   0.03     0.00   0.00   0.00
    38   6     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    40   7    -0.06   0.04   0.07     0.00   0.00   0.00     0.00   0.00   0.00
    41   1     0.05  -0.06  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    42   6     0.08  -0.06  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    43   1    -0.04   0.28   0.03     0.00  -0.02   0.00     0.00   0.00   0.00
    44   1    -0.49  -0.32   0.16     0.03   0.02  -0.01     0.00   0.00   0.00
    45   1     0.18   0.34   0.09    -0.01  -0.02   0.00     0.00   0.00   0.00
    46   6     0.05  -0.04  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    47   1    -0.12   0.17   0.05     0.01  -0.01   0.00     0.00   0.00   0.00
    48   1     0.07  -0.11   0.37     0.00   0.01  -0.02     0.00   0.00   0.00
    49   1    -0.23   0.20  -0.21     0.01  -0.01   0.01     0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1169.2410              1237.5434              1237.9683
 Red. masses --      1.3331                 3.4887                 3.5882
 Frc consts  --      1.0738                 3.1480                 3.2400
 IR Inten    --      8.9303                39.8943                35.9665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.02  -0.01   0.00     0.11  -0.05   0.02
     3   8     0.00   0.00   0.00    -0.01   0.00   0.00    -0.05   0.00  -0.02
     4   7     0.00  -0.01   0.00     0.00   0.06   0.03    -0.02   0.31   0.16
     5   1     0.01   0.01   0.00    -0.05  -0.04  -0.04    -0.22  -0.22  -0.17
     6   6     0.00   0.01  -0.01     0.00  -0.03  -0.02    -0.01  -0.13  -0.09
     7   1     0.00   0.00   0.02    -0.02  -0.05  -0.02    -0.11  -0.23  -0.10
     8   1    -0.02  -0.03  -0.01    -0.02  -0.01  -0.01    -0.11  -0.06  -0.03
     9   1     0.02   0.01   0.03     0.00   0.00   0.00    -0.02   0.03   0.02
    10   6     0.00   0.01  -0.01     0.00  -0.03  -0.02     0.01  -0.15  -0.10
    11   1    -0.03   0.01   0.01    -0.03   0.08   0.01    -0.13   0.39   0.07
    12   1    -0.01   0.00   0.02     0.06  -0.08   0.03     0.27  -0.37   0.14
    13   1     0.03  -0.04   0.01     0.05   0.03   0.04     0.24   0.14   0.22
    14   6     0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00    -0.02   0.01   0.03     0.01   0.00  -0.01
    17   1     0.00   0.00   0.00     0.00   0.00  -0.03     0.00   0.00   0.01
    18   6     0.00   0.00   0.00     0.01   0.00  -0.01     0.00   0.00   0.00
    19   1     0.00   0.00   0.00    -0.03   0.02   0.02     0.01  -0.01  -0.01
    20   1     0.00   0.00   0.00     0.01  -0.01   0.03     0.00   0.00  -0.01
    21   1     0.00   0.00   0.00     0.03  -0.03   0.00    -0.01   0.01   0.00
    22   6     0.00   0.00   0.00     0.01   0.00  -0.01     0.00   0.00   0.00
    23   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1     0.00   0.00   0.00     0.00  -0.01  -0.03     0.00   0.00   0.01
    26   6     0.02   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01   0.01
    27   8     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.09  -0.02   0.03     0.00  -0.01  -0.01     0.01  -0.02  -0.03
    29   1    -0.04   0.03  -0.03     0.00   0.01   0.00     0.01   0.03   0.02
    30   6    -0.11  -0.01  -0.03     0.00   0.00   0.00     0.00   0.01   0.01
    31   1     0.16   0.51   0.26     0.00   0.00   0.00    -0.01   0.02   0.03
    32   1     0.18  -0.42  -0.17     0.00   0.00   0.00     0.00   0.00   0.00
    33   1     0.24   0.04   0.11     0.00   0.01   0.00     0.00   0.02   0.01
    34   6    -0.07   0.00  -0.02     0.00   0.00   0.01     0.00   0.01   0.02
    35   1     0.27   0.11  -0.32    -0.01  -0.01   0.00    -0.01  -0.04   0.00
    36   1     0.07   0.00   0.20    -0.01   0.00   0.01    -0.04  -0.01   0.03
    37   1     0.02  -0.12   0.22     0.01   0.00  -0.01     0.03  -0.01  -0.03
    38   6     0.00   0.00   0.00    -0.10  -0.06  -0.02     0.02   0.01   0.00
    39   8     0.00   0.00   0.00     0.04   0.02   0.03    -0.01   0.00  -0.01
    40   7     0.00   0.00   0.00     0.04   0.25  -0.23    -0.01  -0.05   0.05
    41   1     0.00   0.00   0.00     0.17  -0.11   0.31    -0.04   0.02  -0.06
    42   6     0.00   0.00   0.00     0.00  -0.14   0.11     0.00   0.03  -0.02
    43   1     0.00  -0.01   0.00    -0.42  -0.16   0.14     0.09   0.03  -0.03
    44   1     0.02   0.01  -0.01    -0.27   0.06  -0.23     0.06  -0.01   0.05
    45   1    -0.01  -0.01   0.00     0.22   0.28  -0.22    -0.05  -0.06   0.05
    46   6     0.00   0.00   0.00     0.00  -0.11   0.11     0.00   0.02  -0.02
    47   1     0.01  -0.01   0.00     0.07  -0.15   0.25    -0.01   0.03  -0.05
    48   1     0.00   0.01  -0.02     0.06   0.02   0.08    -0.01   0.00  -0.02
    49   1     0.02  -0.01   0.01     0.04   0.01   0.01    -0.01   0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1238.9201              1241.4497              1392.6367
 Red. masses --      3.4799                 3.4307                 2.4333
 Frc consts  --      3.1471                 3.1153                 2.7804
 IR Inten    --     39.6187                38.8815                69.8910
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.01  -0.01   0.00    -0.12   0.08  -0.01
     3   8     0.00   0.00   0.00    -0.01   0.00   0.00    -0.02  -0.05  -0.02
     4   7     0.00   0.00   0.00     0.00   0.03   0.02     0.25  -0.03   0.06
     5   1     0.00   0.00   0.00    -0.02  -0.02  -0.02    -0.27   0.00  -0.08
     6   6     0.00   0.00   0.00     0.00  -0.01  -0.01    -0.12   0.01  -0.03
     7   1     0.00   0.00   0.00    -0.01  -0.02  -0.01     0.08   0.19  -0.05
     8   1     0.00   0.00   0.00    -0.01   0.00   0.00     0.49  -0.14  -0.19
     9   1     0.00   0.00   0.00     0.00   0.00   0.00     0.17  -0.25   0.27
    10   6     0.00   0.00   0.00     0.00  -0.01  -0.01    -0.10   0.00  -0.02
    11   1     0.00   0.00   0.00    -0.02   0.04   0.01     0.22   0.16  -0.16
    12   1     0.00   0.00   0.00     0.03  -0.04   0.02     0.08  -0.13   0.10
    13   1     0.00   0.00   0.00     0.03   0.01   0.03     0.19   0.20   0.29
    14   6     0.10  -0.05   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    15   8    -0.04   0.01  -0.04     0.00   0.00   0.00     0.00   0.00   0.00
    16   7    -0.19   0.09   0.28     0.00   0.00   0.01     0.00   0.00   0.00
    17   1    -0.04   0.01  -0.36     0.00   0.00  -0.01     0.00   0.00   0.00
    18   6     0.09  -0.02  -0.15     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.30   0.21   0.20    -0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.16  -0.11   0.34     0.00   0.00   0.01     0.00   0.00   0.00
    21   1     0.32  -0.36   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
    22   6     0.07  -0.04  -0.14     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.04   0.02  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    24   1    -0.05  -0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    25   1     0.04  -0.06  -0.29     0.00   0.00   0.00     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.05   0.07  -0.08     0.00   0.00   0.00
    27   8     0.00   0.00   0.00    -0.02  -0.05   0.02     0.00   0.00   0.00
    28   7     0.00   0.00  -0.01    -0.10   0.18   0.28     0.00   0.00   0.00
    29   1     0.00   0.01   0.00    -0.02  -0.37  -0.12    -0.01   0.00   0.00
    30   6     0.00   0.00   0.00     0.05  -0.10  -0.11     0.00   0.00   0.00
    31   1     0.00   0.00   0.00    -0.03  -0.07   0.03     0.00   0.00   0.01
    32   1     0.00   0.00   0.00     0.00  -0.05   0.02     0.00   0.00  -0.02
    33   1    -0.01   0.00   0.00     0.04  -0.22  -0.15    -0.02   0.01   0.00
    34   6     0.00   0.00   0.00     0.03  -0.10  -0.15     0.00   0.00   0.00
    35   1     0.00  -0.01   0.00     0.09   0.38   0.00     0.00   0.01   0.00
    36   1    -0.01   0.00   0.01     0.36   0.14  -0.26     0.00   0.00   0.00
    37   1     0.01   0.00  -0.01    -0.24   0.07   0.36    -0.01   0.00   0.00
    38   6     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00  -0.02   0.02     0.00   0.00   0.00     0.01   0.00   0.00
    41   1    -0.01   0.01  -0.03     0.00   0.00   0.00    -0.01   0.00  -0.01
    42   6     0.00   0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.04   0.02  -0.01    -0.01   0.00   0.00     0.03   0.01   0.00
    44   1     0.03  -0.01   0.02    -0.01   0.00   0.00     0.01   0.00   0.00
    45   1    -0.02  -0.03   0.02     0.00   0.00   0.00     0.01   0.02  -0.02
    46   6     0.00   0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    47   1    -0.01   0.01  -0.02    -0.01   0.01   0.00     0.00   0.00   0.00
    48   1    -0.01   0.00  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    49   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1393.3261              1394.8571              1395.7712
 Red. masses --      2.5458                 2.5996                 2.7060
 Frc consts  --      2.9120                 2.9800                 3.1061
 IR Inten    --     71.5457                72.4039                90.4662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
     5   1     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00   0.00   0.00     0.00  -0.01  -0.01     0.00   0.00   0.00
     8   1    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.01   0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.01  -0.01   0.01    -0.01  -0.01   0.00     0.00   0.00   0.00
    12   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
    13   1    -0.01   0.00  -0.01     0.00   0.00  -0.01     0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.03   0.01  -0.01    -0.14   0.06  -0.02
    15   8     0.00   0.00   0.00     0.00   0.00  -0.01     0.01  -0.01  -0.05
    16   7     0.00   0.00   0.00     0.05  -0.02   0.03     0.22  -0.07   0.15
    17   1     0.00   0.00   0.00    -0.05   0.02  -0.06    -0.22   0.06  -0.21
    18   6     0.00   0.00   0.00    -0.02   0.01  -0.01    -0.10   0.02  -0.06
    19   1     0.00  -0.01  -0.01     0.05   0.05   0.02     0.20   0.23   0.09
    20   1     0.00   0.00   0.00     0.01  -0.02   0.07     0.03  -0.10   0.35
    21   1     0.01  -0.01   0.00     0.04  -0.03   0.00     0.16  -0.15   0.01
    22   6     0.00   0.00   0.00    -0.02   0.01  -0.02    -0.10   0.03  -0.07
    23   1     0.00   0.00   0.00     0.06  -0.08   0.00     0.27  -0.36   0.03
    24   1     0.00   0.00   0.00     0.09   0.03   0.00     0.43   0.11   0.01
    25   1     0.00   0.00   0.00    -0.01   0.00   0.04    -0.06   0.03   0.19
    26   6    -0.01   0.00   0.01    -0.07  -0.07   0.11     0.01   0.02  -0.02
    27   8     0.00   0.00   0.00     0.00  -0.03  -0.02     0.00   0.01   0.00
    28   7     0.01   0.02  -0.01     0.09   0.22  -0.14    -0.02  -0.05   0.03
    29   1    -0.01  -0.03   0.01    -0.11  -0.43   0.07     0.03   0.12  -0.01
    30   6     0.00  -0.01   0.01    -0.03  -0.09   0.07     0.01   0.02  -0.02
    31   1     0.03   0.01  -0.02     0.33   0.12  -0.25    -0.08  -0.03   0.06
    32   1    -0.01   0.01  -0.03    -0.08   0.14  -0.43     0.01  -0.03   0.11
    33   1     0.00   0.01   0.01    -0.05   0.10   0.11     0.02  -0.01  -0.02
    34   6     0.00  -0.01   0.00    -0.02  -0.08   0.06     0.01   0.02  -0.01
    35   1    -0.01   0.04   0.02     0.04   0.28   0.13    -0.01  -0.06  -0.03
    36   1     0.01  -0.01   0.01     0.15   0.08  -0.09    -0.04  -0.02   0.02
    37   1    -0.02   0.02   0.00    -0.20   0.12  -0.11     0.04  -0.03   0.02
    38   6    -0.12  -0.09  -0.01     0.01   0.01   0.00     0.00   0.00   0.00
    39   8    -0.01   0.03  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.22   0.09   0.12    -0.02  -0.01  -0.01     0.00   0.00   0.00
    41   1    -0.21  -0.08  -0.15     0.01   0.01   0.00     0.00   0.00   0.00
    42   6    -0.09  -0.05  -0.05     0.01   0.00   0.00     0.00   0.00   0.00
    43   1     0.21   0.07  -0.05    -0.01   0.00   0.00     0.00   0.00   0.00
    44   1     0.24  -0.16   0.23    -0.02   0.01  -0.02     0.01   0.00   0.00
    45   1    -0.04   0.20   0.24     0.00  -0.01  -0.02     0.00   0.00   0.01
    46   6    -0.11  -0.03  -0.06     0.01   0.00   0.01     0.00   0.00   0.00
    47   1     0.04  -0.13   0.17    -0.02   0.02  -0.01     0.01  -0.01   0.00
    48   1     0.18   0.38   0.24    -0.01  -0.02  -0.03     0.00   0.00   0.01
    49   1     0.45   0.03  -0.14    -0.04   0.00   0.01     0.01   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1416.5167              1416.9818              1417.6201
 Red. masses --      1.3164                 1.2266                 1.2295
 Frc consts  --      1.5562                 1.4511                 1.4558
 IR Inten    --     39.1263                23.3420                15.6363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.01   0.01   0.00     0.00   0.00   0.00    -0.02   0.04   0.01
     3   8     0.00  -0.02  -0.01     0.00   0.00   0.00    -0.01  -0.07  -0.03
     4   7     0.00   0.01   0.00     0.00   0.00   0.00     0.01   0.02   0.01
     5   1     0.17   0.11   0.09     0.00   0.00   0.00     0.56   0.36   0.32
     6   6    -0.01  -0.02  -0.01     0.00   0.00   0.00    -0.02  -0.06  -0.02
     7   1     0.07   0.06   0.04     0.00   0.00   0.00     0.25   0.21   0.10
     8   1    -0.01   0.06   0.02     0.00   0.00   0.00    -0.04   0.20   0.05
     9   1    -0.03   0.08   0.02     0.00   0.00   0.00    -0.10   0.27   0.07
    10   6     0.01  -0.01   0.00     0.00   0.00   0.00     0.01  -0.03  -0.02
    11   1    -0.01   0.06   0.01     0.00   0.00   0.00    -0.04   0.11   0.03
    12   1    -0.08   0.03   0.01     0.00   0.00   0.00    -0.19   0.05   0.12
    13   1     0.01   0.06   0.02     0.00   0.00   0.00     0.02   0.22   0.07
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.01   0.00   0.02     0.00   0.00   0.01     0.00   0.00  -0.01
    18   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1     0.00   0.00   0.00    -0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.00   0.00   0.00    -0.01   0.01   0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01   0.01   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    24   1    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00  -0.01
    26   6    -0.03  -0.01   0.07     0.00   0.00  -0.01     0.01   0.00  -0.02
    27   8     0.02  -0.06  -0.07     0.00   0.01   0.01    -0.01   0.02   0.02
    28   7     0.00   0.05   0.01     0.00  -0.01   0.00     0.00  -0.01   0.00
    29   1     0.06   0.79   0.15    -0.01  -0.12  -0.02    -0.02  -0.23  -0.04
    30   6     0.01  -0.05  -0.03     0.00   0.01   0.01     0.00   0.01   0.01
    31   1    -0.02   0.02   0.10     0.01   0.00  -0.02     0.00   0.00  -0.01
    32   1    -0.08   0.05   0.18     0.01   0.00  -0.03     0.02  -0.01  -0.07
    33   1     0.03   0.25   0.09    -0.01  -0.04  -0.01    -0.03  -0.06  -0.03
    34   6     0.01  -0.02  -0.03     0.00   0.00   0.00     0.00   0.01   0.01
    35   1    -0.05   0.18   0.11     0.00  -0.02  -0.01     0.01  -0.05  -0.03
    36   1     0.06  -0.05   0.15    -0.01   0.00  -0.01    -0.02   0.02  -0.04
    37   1    -0.10   0.06   0.06     0.01   0.00   0.00     0.03  -0.02  -0.02
    38   6     0.00   0.00   0.00    -0.03  -0.04   0.02     0.00   0.00   0.00
    39   8     0.00   0.01  -0.01     0.00   0.05  -0.06     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00  -0.02   0.02     0.00   0.00   0.00
    41   1     0.06  -0.01   0.09     0.41  -0.10   0.62    -0.02   0.00  -0.03
    42   6     0.00   0.01   0.00     0.01   0.03  -0.02     0.00   0.00   0.00
    43   1    -0.02  -0.03  -0.01    -0.07  -0.16  -0.06    -0.01   0.01   0.00
    44   1    -0.01  -0.01   0.02    -0.02  -0.09   0.15     0.00   0.00  -0.01
    45   1    -0.01  -0.02   0.01    -0.06  -0.10   0.09     0.00   0.00   0.00
    46   6     0.00   0.01  -0.01    -0.01   0.04  -0.07     0.00   0.00   0.00
    47   1     0.01   0.00   0.05     0.11   0.00   0.36     0.00   0.00  -0.02
    48   1     0.00  -0.01   0.02    -0.04  -0.09   0.14     0.00   0.00  -0.01
    49   1    -0.01  -0.05   0.03    -0.11  -0.29   0.19     0.01   0.02  -0.01
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1421.3970              1435.4282              1436.5143
 Red. masses --      1.2426                 1.1475                 1.1273
 Frc consts  --      1.4791                 1.3930                 1.3706
 IR Inten    --     30.5388                 4.3635                 8.4422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.02   0.00  -0.01     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00  -0.02  -0.01     0.00   0.01   0.00
     4   7     0.00   0.00   0.00     0.01   0.03   0.02     0.01  -0.02  -0.01
     5   1     0.01   0.01   0.00     0.23   0.13   0.13    -0.11  -0.06  -0.06
     6   6     0.00   0.00   0.00     0.00  -0.01  -0.02     0.00   0.01   0.00
     7   1     0.00   0.00   0.00     0.02   0.01   0.15    -0.04  -0.03   0.01
     8   1     0.00   0.00   0.00    -0.14   0.06   0.03     0.02   0.01   0.00
     9   1     0.00   0.00   0.00    -0.03  -0.03  -0.08     0.03  -0.05   0.00
    10   6     0.00   0.00   0.00    -0.07   0.05   0.02     0.02  -0.02  -0.01
    11   1     0.00   0.00   0.00     0.24  -0.22  -0.19    -0.08   0.10   0.07
    12   1     0.00   0.00   0.00     0.48  -0.22  -0.17    -0.21   0.09   0.07
    13   1     0.00   0.00   0.00     0.14  -0.45   0.04    -0.05   0.20   0.00
    14   6    -0.05   0.02   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.03  -0.02  -0.08     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.22  -0.01   0.71     0.00   0.00   0.00    -0.01   0.00  -0.02
    18   6     0.04  -0.01  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.09   0.10   0.12     0.00   0.00   0.00    -0.01   0.00   0.00
    20   1    -0.08   0.11   0.24     0.00   0.00   0.00    -0.01   0.02   0.02
    21   1    -0.27  -0.03   0.00     0.00   0.00   0.00    -0.03  -0.01   0.00
    22   6     0.01  -0.02  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.24   0.11   0.17     0.01   0.00   0.00     0.00   0.00   0.00
    24   1    -0.09   0.06   0.11    -0.01   0.00   0.00     0.01   0.00   0.00
    25   1     0.10   0.13   0.30     0.00  -0.01   0.00     0.00   0.00  -0.01
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01  -0.01
    29   1     0.00  -0.02   0.00     0.00   0.01   0.00    -0.01  -0.06  -0.01
    30   6     0.00   0.00   0.00    -0.01   0.01   0.00     0.01   0.00   0.00
    31   1     0.01   0.00  -0.01     0.03  -0.02  -0.09    -0.01   0.02   0.06
    32   1     0.00   0.00   0.00     0.00  -0.01   0.05     0.00   0.02  -0.05
    33   1     0.01   0.00   0.00     0.09  -0.04   0.03    -0.07   0.01  -0.02
    34   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.02
    35   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.03   0.06
    36   1    -0.01   0.00   0.00    -0.01  -0.01   0.00    -0.03  -0.06   0.11
    37   1     0.00   0.00   0.01    -0.01   0.01   0.01    -0.03   0.02   0.08
    38   6     0.00   0.00   0.00     0.00   0.00   0.01     0.01   0.00   0.01
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.01   0.01  -0.01     0.01   0.03  -0.02
    41   1    -0.01   0.00  -0.01    -0.06   0.01  -0.08    -0.13   0.02  -0.18
    42   6     0.00   0.00   0.00     0.02   0.03  -0.01     0.05   0.06  -0.02
    43   1     0.00   0.01   0.00    -0.19  -0.14  -0.03    -0.41  -0.31  -0.06
    44   1     0.00   0.00   0.00    -0.11  -0.07   0.09    -0.25  -0.16   0.20
    45   1     0.00   0.01   0.00    -0.07  -0.17   0.11    -0.16  -0.38   0.22
    46   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.01
    47   1     0.01  -0.02  -0.02     0.02  -0.04  -0.05     0.08  -0.13  -0.14
    48   1    -0.01  -0.01   0.00     0.00  -0.01   0.06    -0.01  -0.07   0.19
    49   1     0.01   0.02  -0.01     0.08   0.02  -0.02     0.21   0.04  -0.04
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1437.6171              1439.7822              1441.5045
 Red. masses --      1.1324                 1.1245                 1.0776
 Frc consts  --      1.3790                 1.3734                 1.3193
 IR Inten    --      6.8182                10.0031                33.0704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1    -0.01   0.00   0.00    -0.02  -0.01  -0.01     0.01   0.01   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00   0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.01   0.03
     8   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.02   0.01   0.01
     9   1     0.00  -0.01   0.00     0.01  -0.01   0.00     0.00  -0.02  -0.01
    10   6     0.00   0.00   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
    11   1    -0.01   0.01   0.01    -0.02   0.02   0.02     0.01   0.00  -0.01
    12   1    -0.02   0.01   0.01    -0.05   0.02   0.03     0.01   0.00  -0.02
    13   1     0.00   0.02   0.00    -0.01   0.05   0.00     0.00  -0.02   0.00
    14   6    -0.01   0.00  -0.02     0.00   0.00   0.00     0.00   0.00   0.01
    15   8     0.01   0.00  -0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    16   7    -0.02   0.01   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.11  -0.02   0.29    -0.02   0.00  -0.04     0.00   0.00   0.01
    18   6    -0.07   0.04   0.03     0.02  -0.01  -0.01     0.01  -0.01   0.00
    19   1     0.29  -0.19  -0.30    -0.07   0.06   0.09    -0.05   0.07   0.09
    20   1     0.21  -0.25  -0.23    -0.04   0.05   0.04     0.00   0.00   0.00
    21   1     0.57  -0.18   0.09    -0.12   0.06  -0.03    -0.05   0.09  -0.05
    22   6     0.01  -0.02  -0.03     0.00   0.00   0.00     0.00   0.01   0.00
    23   1    -0.16   0.10   0.07     0.03  -0.02  -0.01     0.06  -0.03  -0.04
    24   1     0.02  -0.02  -0.05    -0.02   0.01   0.02    -0.07   0.01   0.03
    25   1     0.08   0.16   0.10    -0.02  -0.04  -0.01    -0.04  -0.10   0.00
    26   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00   0.01   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00    -0.01   0.02   0.02     0.01  -0.01  -0.01
    29   1     0.00   0.01   0.00     0.03   0.18   0.02    -0.02  -0.11  -0.01
    30   6     0.00   0.00   0.00    -0.01   0.00  -0.01     0.01   0.00   0.01
    31   1     0.00  -0.01  -0.01     0.00  -0.05  -0.07    -0.02   0.04   0.08
    32   1     0.00  -0.01   0.01     0.01  -0.06   0.08     0.00   0.03  -0.07
    33   1     0.01   0.00   0.00     0.10   0.00   0.04    -0.11   0.01  -0.04
    34   6     0.00   0.00   0.01    -0.03  -0.01   0.07     0.02   0.01  -0.05
    35   1     0.02  -0.01  -0.02     0.25  -0.09  -0.25    -0.17   0.07   0.17
    36   1     0.02   0.03  -0.04     0.14   0.27  -0.44    -0.05  -0.16   0.30
    37   1     0.02  -0.02  -0.04     0.15  -0.11  -0.35    -0.06   0.04   0.20
    38   6     0.00   0.00   0.00     0.00  -0.01   0.01     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.01
    40   7     0.00   0.00  -0.01     0.02   0.01  -0.01     0.01   0.00  -0.01
    41   1    -0.04   0.01  -0.04    -0.08   0.01  -0.09    -0.10   0.02  -0.14
    42   6     0.01   0.01   0.00     0.01   0.02  -0.01     0.00   0.01   0.00
    43   1    -0.05  -0.06  -0.01    -0.12  -0.15  -0.04    -0.04  -0.08  -0.02
    44   1    -0.03  -0.03   0.04    -0.07  -0.08   0.11    -0.02  -0.03   0.04
    45   1    -0.02  -0.04   0.02    -0.04  -0.11   0.06    -0.01  -0.03   0.01
    46   6     0.01  -0.01   0.00     0.01  -0.03   0.00     0.02  -0.04  -0.01
    47   1    -0.08   0.10   0.08    -0.18   0.21   0.13    -0.30   0.37   0.28
    48   1     0.06   0.10  -0.05     0.12   0.22  -0.13     0.19   0.36  -0.21
    49   1    -0.06  -0.06   0.05    -0.12  -0.08   0.06    -0.21  -0.21   0.15
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1445.0044              1447.5848              1449.5425
 Red. masses --      1.0635                 1.0755                 1.0620
 Frc consts  --      1.3083                 1.3278                 1.3148
 IR Inten    --      8.1360                 8.9259                28.5464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.01   0.02   0.00    -0.01   0.02   0.00
     3   8     0.00   0.00   0.00    -0.01  -0.02  -0.01     0.00  -0.01  -0.01
     4   7     0.00   0.00   0.00     0.03   0.00   0.00     0.02   0.00  -0.01
     5   1     0.00   0.00   0.00     0.05   0.06   0.04     0.01   0.02   0.02
     6   6     0.00   0.00   0.00     0.02   0.03  -0.02     0.02   0.02  -0.01
     7   1     0.00  -0.01   0.01    -0.25  -0.25   0.43    -0.17  -0.16   0.25
     8   1    -0.01   0.00   0.00    -0.26   0.20   0.10    -0.16   0.11   0.06
     9   1     0.00  -0.01  -0.01     0.12  -0.41  -0.17     0.07  -0.26  -0.12
    10   6     0.00   0.00   0.00    -0.01  -0.01   0.00     0.00  -0.01  -0.02
    11   1     0.01  -0.01  -0.01     0.07   0.15  -0.02     0.00  -0.01  -0.01
    12   1     0.01  -0.01   0.00    -0.07   0.06  -0.08    -0.13   0.02   0.17
    13   1     0.01   0.00   0.01     0.03   0.02   0.04     0.04   0.19   0.08
    14   6     0.02  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    15   8    -0.01   0.01   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00  -0.01  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.07   0.00  -0.23     0.00   0.00   0.00     0.00   0.00   0.01
    18   6     0.02   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.05  -0.10  -0.09     0.00   0.00  -0.01     0.00   0.01   0.01
    20   1    -0.11   0.14   0.13     0.00   0.00   0.00     0.01  -0.01  -0.01
    21   1    -0.19  -0.16   0.09     0.00  -0.01   0.00     0.01   0.02  -0.01
    22   6    -0.02  -0.04   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.30   0.11   0.26    -0.01   0.00   0.00     0.01   0.00  -0.01
    24   1     0.45  -0.07  -0.15     0.00   0.00   0.00    -0.01   0.00   0.00
    25   1     0.20   0.57  -0.07     0.00   0.01   0.00    -0.01  -0.02  -0.01
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00  -0.01
    29   1     0.00  -0.02   0.00     0.01   0.03   0.00    -0.01  -0.06   0.00
    30   6     0.00   0.00   0.00     0.03  -0.01   0.00    -0.04   0.02   0.00
    31   1     0.00   0.00  -0.01    -0.10   0.05   0.26     0.15  -0.07  -0.39
    32   1     0.00   0.00   0.01     0.03   0.02  -0.21    -0.04  -0.03   0.31
    33   1     0.01   0.00   0.00    -0.34   0.07  -0.11     0.51  -0.12   0.16
    34   6     0.00   0.00  -0.01    -0.01   0.00   0.01     0.02   0.00  -0.01
    35   1    -0.02   0.01   0.02     0.03   0.01  -0.02    -0.02  -0.03   0.01
    36   1    -0.01  -0.02   0.04     0.08   0.07  -0.04    -0.12  -0.09   0.03
    37   1    -0.01   0.01   0.02     0.06  -0.05  -0.08    -0.09   0.08   0.12
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
    41   1    -0.01   0.00  -0.02     0.03  -0.01   0.05     0.00   0.00   0.01
    42   6     0.00   0.00   0.00    -0.01  -0.01   0.00     0.00  -0.01   0.00
    43   1     0.00  -0.01   0.00     0.01   0.07   0.02     0.00   0.04   0.01
    44   1     0.00  -0.01   0.01     0.05   0.03  -0.04     0.03   0.02  -0.03
    45   1     0.00   0.00   0.00     0.01   0.04   0.03     0.00   0.02   0.01
    46   6     0.00  -0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   1    -0.06   0.07   0.05     0.01  -0.01  -0.03    -0.01   0.02   0.01
    48   1     0.04   0.07  -0.05    -0.02  -0.02  -0.03     0.01   0.01  -0.02
    49   1    -0.05  -0.04   0.03    -0.01   0.03  -0.02    -0.02  -0.01   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1456.0911              1456.5512              1464.2026
 Red. masses --      1.0602                 1.2041                 1.0548
 Frc consts  --      1.3243                 1.5051                 1.3324
 IR Inten    --     38.0340                25.1123                24.9476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00  -0.01
     5   1     0.00   0.00   0.00    -0.01  -0.01  -0.01     0.03   0.01   0.02
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.02   0.02
     7   1    -0.01  -0.01   0.00     0.02   0.02  -0.02    -0.03  -0.02  -0.11
     8   1     0.00   0.00   0.00     0.02  -0.01  -0.01    -0.10  -0.18  -0.02
     9   1     0.00  -0.01   0.00    -0.01   0.03   0.01    -0.07   0.00  -0.15
    10   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.01  -0.02
    11   1     0.00   0.00   0.00     0.00  -0.01   0.00     0.07  -0.32  -0.11
    12   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.03  -0.09   0.37
    13   1     0.00   0.00   0.00     0.00   0.00   0.00     0.12   0.18   0.15
    14   6     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   7    -0.01  -0.02   0.01     0.00  -0.01   0.00     0.00   0.00   0.00
    17   1     0.01   0.02  -0.01     0.00   0.01   0.00     0.00   0.00   0.01
    18   6    -0.02  -0.04   0.01    -0.01  -0.01   0.00     0.00   0.00   0.00
    19   1    -0.06   0.33   0.38    -0.02   0.12   0.14     0.00   0.00   0.00
    20   1     0.18  -0.22  -0.27     0.07  -0.09  -0.11     0.00   0.00   0.00
    21   1     0.15   0.53  -0.27     0.07   0.20  -0.10     0.00   0.00   0.00
    22   6    -0.01  -0.02  -0.01     0.00  -0.01   0.00     0.00   0.00   0.00
    23   1    -0.13   0.05   0.11    -0.05   0.02   0.04     0.00   0.00   0.00
    24   1     0.16  -0.03  -0.06     0.06  -0.01  -0.03     0.00   0.00   0.00
    25   1     0.08   0.22  -0.01     0.03   0.08  -0.01     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02   0.00
    29   1     0.00   0.00   0.00     0.00  -0.01   0.00     0.01   0.02   0.00
    30   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.02   0.01
    31   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.02  -0.05  -0.04
    32   1     0.00   0.00   0.00    -0.01   0.01   0.00     0.05  -0.06  -0.04
    33   1    -0.01   0.00   0.00     0.00   0.00   0.00    -0.01  -0.09  -0.03
    34   6     0.00   0.00   0.00     0.00   0.00  -0.01    -0.03  -0.01  -0.02
    35   1     0.01   0.01  -0.01    -0.02  -0.01   0.02    -0.14   0.22   0.20
    36   1     0.02   0.02  -0.01    -0.03  -0.03   0.04     0.42   0.14   0.27
    37   1     0.01  -0.01  -0.02    -0.02   0.01   0.05     0.24  -0.21  -0.23
    38   6     0.01   0.02  -0.01    -0.03  -0.05   0.03     0.00   0.00   0.00
    39   8     0.00  -0.01   0.02     0.00   0.03  -0.05     0.00   0.00   0.00
    40   7    -0.01   0.00  -0.01     0.03   0.00   0.03     0.00   0.00   0.00
    41   1    -0.04   0.02  -0.09     0.14  -0.07   0.26     0.02   0.00   0.03
    42   6     0.00   0.00   0.01     0.00   0.01  -0.02     0.00  -0.01   0.00
    43   1     0.03   0.05   0.02    -0.12  -0.11  -0.04    -0.06   0.07   0.02
    44   1    -0.03   0.03  -0.05     0.11  -0.07   0.13     0.03   0.04  -0.05
    45   1     0.00  -0.02  -0.06    -0.02   0.05   0.20    -0.01  -0.01   0.07
    46   6    -0.01   0.02  -0.02     0.02  -0.03   0.07     0.00   0.00   0.00
    47   1     0.08  -0.05   0.09    -0.14   0.05  -0.35     0.00   0.00  -0.03
    48   1     0.00  -0.04   0.18    -0.04   0.01  -0.46     0.00   0.00   0.00
    49   1     0.10  -0.12   0.07    -0.21   0.41  -0.26     0.02   0.01  -0.01
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1465.3927              1468.3697              1469.9603
 Red. masses --      1.0629                 1.0500                 1.1774
 Frc consts  --      1.3448                 1.3338                 1.4989
 IR Inten    --      2.1698                32.1353                48.6186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.01   0.00     0.00  -0.01   0.00     0.00   0.00   0.00
     3   8     0.00  -0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.00
     4   7    -0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.07   0.04   0.05    -0.04  -0.04  -0.03     0.01   0.00   0.00
     6   6     0.02   0.02   0.03     0.00  -0.01   0.00     0.00   0.00   0.00
     7   1    -0.07  -0.06  -0.17     0.06   0.05   0.01    -0.01  -0.01  -0.01
     8   1    -0.14  -0.26  -0.03     0.01   0.02   0.00     0.00  -0.02   0.00
     9   1    -0.09  -0.02  -0.20    -0.02   0.06   0.02     0.00   0.00  -0.01
    10   6    -0.01   0.01  -0.02     0.00   0.01  -0.01     0.00   0.00   0.00
    11   1     0.11  -0.29  -0.13     0.00  -0.11  -0.03     0.00   0.00   0.00
    12   1    -0.04  -0.07   0.34     0.01  -0.04   0.11    -0.01   0.00   0.01
    13   1     0.14   0.17   0.17     0.02   0.05   0.03     0.00   0.01   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.03  -0.02  -0.03
    15   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.02   0.01   0.05
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.00  -0.01
    17   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.10  -0.01  -0.36
    18   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.01
    19   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.13  -0.04  -0.01
    20   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.05   0.05  -0.12
    21   1     0.00   0.00   0.00     0.00  -0.01   0.00     0.07   0.02  -0.01
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.01  -0.09
    23   1     0.00   0.00  -0.01     0.00   0.00   0.00    -0.19  -0.02   0.31
    24   1     0.01  -0.01  -0.01     0.00   0.00   0.00    -0.23   0.25   0.42
    25   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.08  -0.06   0.60
    26   6     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00  -0.01  -0.01     0.00  -0.01   0.00     0.00   0.00   0.00
    28   7     0.01   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
    29   1     0.00   0.09   0.01     0.00   0.05   0.01     0.00   0.00   0.00
    30   6     0.01  -0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1    -0.01   0.05   0.11     0.00   0.02   0.04     0.00   0.00   0.00
    32   1     0.00   0.04  -0.15     0.00   0.02  -0.07     0.00   0.00   0.00
    33   1    -0.18  -0.01  -0.07    -0.07  -0.01  -0.03     0.00  -0.01   0.00
    34   6     0.02   0.01   0.01     0.01   0.00   0.01     0.00   0.00   0.00
    35   1     0.12  -0.17  -0.17     0.07  -0.09  -0.09     0.00   0.00   0.00
    36   1    -0.33  -0.11  -0.21    -0.17  -0.05  -0.12    -0.01  -0.01   0.00
    37   1    -0.18   0.16   0.17    -0.09   0.08   0.07    -0.01   0.01   0.00
    38   6     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00  -0.01     0.00   0.00   0.00
    40   7     0.00   0.01   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
    41   1    -0.01   0.00  -0.03     0.01   0.01   0.03     0.00   0.00   0.00
    42   6    -0.01   0.01   0.01     0.02  -0.04  -0.02     0.00   0.00   0.00
    43   1     0.13  -0.15  -0.05    -0.41   0.49   0.15     0.00   0.00   0.00
    44   1    -0.04  -0.08   0.11     0.10   0.23  -0.35     0.00   0.00   0.00
    45   1     0.03   0.03  -0.14    -0.11  -0.14   0.44     0.00   0.00   0.00
    46   6     0.00   0.00   0.00     0.00   0.00  -0.01     0.00   0.00   0.00
    47   1     0.01  -0.01   0.01    -0.03   0.05   0.05     0.00   0.00   0.00
    48   1    -0.01  -0.01  -0.01     0.03   0.05   0.01     0.00   0.00   0.00
    49   1    -0.02   0.01   0.00     0.01  -0.06   0.03     0.00   0.00   0.00
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1472.2249              1475.3849              1487.2094
 Red. masses --      1.1531                 1.1529                 1.0735
 Frc consts  --      1.4725                 1.4786                 1.3990
 IR Inten    --     44.6513                58.1987                 9.0449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.05  -0.02     0.00  -0.01   0.00     0.01  -0.03  -0.01
     3   8     0.01   0.04   0.02     0.00   0.01   0.00     0.01   0.03   0.02
     4   7     0.00  -0.01  -0.02     0.00   0.00  -0.01    -0.01  -0.03  -0.01
     5   1    -0.21  -0.17  -0.12    -0.03  -0.02  -0.01    -0.20  -0.14  -0.13
     6   6    -0.02  -0.05  -0.05     0.00  -0.01  -0.01     0.02  -0.02   0.00
     7   1     0.20   0.16   0.42     0.03   0.02   0.08     0.24   0.21   0.12
     8   1     0.03   0.50   0.11    -0.02   0.07   0.02    -0.26   0.00   0.07
     9   1     0.06   0.10   0.20     0.00   0.01   0.01    -0.18   0.22  -0.17
    10   6     0.00   0.03  -0.01     0.00   0.01  -0.01    -0.03  -0.02   0.01
    11   1    -0.10  -0.32  -0.02    -0.03  -0.19  -0.03     0.45   0.27  -0.21
    12   1     0.09  -0.12   0.29     0.05  -0.07   0.17    -0.26   0.17  -0.15
    13   1    -0.03   0.12   0.00     0.00   0.06   0.01     0.30  -0.04   0.29
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    20   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    25   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    26   6     0.00   0.00   0.01     0.01  -0.02  -0.03     0.00   0.00   0.00
    27   8     0.00  -0.01  -0.01    -0.01   0.03   0.03     0.00   0.00   0.00
    28   7     0.00   0.00   0.01     0.01   0.00  -0.03     0.00   0.00   0.00
    29   1     0.01   0.10   0.02    -0.02  -0.29  -0.06    -0.01  -0.04  -0.01
    30   6     0.00   0.01   0.01     0.02  -0.07  -0.06     0.00   0.00   0.00
    31   1     0.00  -0.01  -0.01    -0.06   0.11   0.29    -0.01  -0.01  -0.01
    32   1     0.05  -0.03  -0.15    -0.20   0.18   0.40    -0.01  -0.01   0.04
    33   1    -0.09  -0.14  -0.07     0.03   0.65   0.20     0.03   0.04   0.02
    34   6     0.00   0.00   0.00    -0.01   0.00   0.01     0.00   0.00   0.00
    35   1     0.01   0.00  -0.01    -0.01  -0.03   0.00     0.00   0.00   0.01
    36   1    -0.02  -0.01  -0.01     0.02   0.03  -0.04     0.01   0.00   0.00
    37   1    -0.01   0.01   0.01     0.03  -0.04   0.01     0.00   0.00   0.00
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1    -0.01   0.00  -0.02     0.00   0.00   0.00    -0.01   0.00  -0.01
    42   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.10  -0.10  -0.03     0.01   0.00   0.00     0.00  -0.01   0.00
    44   1    -0.01  -0.05   0.08     0.00   0.00   0.00     0.02   0.00   0.01
    45   1     0.03   0.04  -0.10     0.00   0.00  -0.01     0.01   0.03   0.01
    46   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   1     0.01  -0.01   0.00     0.00   0.00   0.00     0.02  -0.01   0.02
    48   1    -0.01  -0.02   0.00     0.00   0.00   0.01    -0.01  -0.02  -0.01
    49   1    -0.01   0.00   0.00     0.00   0.00   0.00    -0.02   0.00   0.00
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1490.5104              1495.0695              1506.8363
 Red. masses --      1.0716                 1.0607                 1.0604
 Frc consts  --      1.4026                 1.3969                 1.4186
 IR Inten    --     19.5713                 9.9514                 7.8556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.01  -0.01  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
     8   1     0.02  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     9   1     0.01  -0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.03  -0.01   0.01     0.00   0.00   0.00    -0.01  -0.02   0.00
    12   1     0.02  -0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.01
    13   1    -0.02   0.00  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.01  -0.01  -0.02     0.00   0.00   0.00
    15   8     0.00   0.00   0.00    -0.01   0.01   0.03     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.01  -0.01  -0.02     0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.05   0.00  -0.19     0.00   0.00   0.01
    18   6     0.00   0.00   0.00    -0.03   0.00  -0.02     0.00   0.00   0.00
    19   1    -0.01   0.00   0.00     0.47   0.22   0.07     0.00   0.00   0.00
    20   1     0.00   0.00   0.00     0.17  -0.20   0.38     0.00   0.00   0.00
    21   1     0.00   0.00   0.00    -0.19   0.00   0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.03  -0.01   0.02     0.00   0.00   0.00
    23   1     0.00   0.00   0.00    -0.19   0.31  -0.21     0.01  -0.01   0.00
    24   1     0.00   0.00   0.00    -0.32  -0.18  -0.23     0.01   0.00   0.01
    25   1     0.00   0.00   0.00     0.06   0.03   0.25     0.00   0.00  -0.01
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.01
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.02   0.01
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.02   0.00
    29   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.07  -0.03
    30   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.03  -0.01
    31   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.20  -0.19   0.04
    32   1     0.00   0.00   0.00     0.00   0.00   0.00     0.16  -0.27   0.10
    33   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.09   0.01
    34   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.04   0.02
    35   1    -0.01   0.00   0.01     0.00   0.00   0.00     0.26   0.44  -0.05
    36   1     0.02   0.01   0.01     0.00   0.00   0.00    -0.12  -0.15   0.16
    37   1     0.02  -0.02   0.01     0.00   0.00   0.00    -0.34   0.37  -0.44
    38   6     0.00   0.02  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00  -0.02   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.02   0.02  -0.01     0.00   0.00   0.00    -0.01   0.00  -0.01
    41   1    -0.17   0.04  -0.26     0.00   0.00   0.00     0.01   0.00   0.01
    42   6    -0.02  -0.01  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    43   1    -0.15  -0.12  -0.03     0.00   0.00   0.00    -0.02  -0.03  -0.01
    44   1     0.30  -0.07   0.16     0.00   0.00   0.00     0.06  -0.01   0.03
    45   1     0.03   0.27   0.30     0.00   0.00   0.00     0.02   0.06   0.04
    46   6     0.02   0.03  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    47   1     0.26  -0.16   0.36     0.00   0.00   0.01    -0.01   0.01  -0.02
    48   1    -0.21  -0.34  -0.18     0.00   0.00   0.00     0.01   0.01   0.02
    49   1    -0.39   0.00   0.04     0.00   0.00   0.00     0.02  -0.01   0.01
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1511.1865              1512.1941              1524.5793
 Red. masses --      1.1882                 1.1793                 1.1838
 Frc consts  --      1.5988                 1.5889                 1.6212
 IR Inten    --     35.1328                67.5605                37.2551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.02  -0.04  -0.01    -0.01   0.01   0.00     0.00   0.00   0.00
     3   8     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     4   7    -0.10   0.01  -0.03     0.02   0.00   0.01     0.00   0.00   0.00
     5   1     0.18   0.05   0.07    -0.05  -0.01  -0.02     0.00   0.00   0.00
     6   6    -0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.23  -0.22  -0.13     0.06   0.05   0.04     0.00   0.00   0.00
     8   1     0.43   0.22  -0.04    -0.11  -0.05   0.01     0.00   0.00   0.00
     9   1     0.26  -0.09   0.40    -0.06   0.02  -0.10     0.00   0.00   0.00
    10   6     0.00  -0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   1     0.34  -0.02  -0.19    -0.08   0.00   0.05     0.00   0.00   0.00
    12   1    -0.17   0.09   0.03     0.04  -0.02  -0.01     0.00   0.00   0.00
    13   1     0.24  -0.04   0.22    -0.06   0.01  -0.05     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.04  -0.02  -0.03
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.03
    16   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.07   0.03  -0.06
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.10  -0.03   0.11
    18   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00  -0.01
    19   1     0.00   0.00   0.00     0.00   0.00   0.00     0.46   0.15   0.02
    20   1     0.00   0.00   0.00     0.00   0.00   0.00     0.18  -0.20   0.28
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.17   0.01   0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00  -0.02
    23   1     0.00   0.00   0.00     0.00   0.00   0.00     0.14  -0.31   0.33
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.25   0.25   0.38
    25   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.07  -0.22
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1    -0.01  -0.01  -0.01     0.00  -0.01   0.00     0.00   0.00   0.00
    30   6     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01   0.01    -0.03  -0.03   0.00     0.00   0.00   0.00
    32   1     0.00  -0.01   0.01     0.03  -0.05   0.01     0.00   0.00   0.00
    33   1    -0.01   0.02   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    34   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00   0.01   0.00     0.02   0.07   0.01    -0.01  -0.01   0.00
    36   1     0.00   0.00   0.01     0.01  -0.02   0.05     0.00   0.00   0.00
    37   1    -0.01   0.01  -0.01    -0.03   0.04  -0.05     0.01  -0.01   0.01
    38   6    -0.01  -0.01   0.00    -0.02  -0.03   0.02     0.00   0.00   0.00
    39   8     0.00   0.00  -0.01    -0.01   0.01  -0.02     0.00   0.00   0.00
    40   7     0.02   0.01   0.01     0.08   0.03   0.05     0.00   0.00   0.00
    41   1    -0.03  -0.01  -0.03    -0.11  -0.03  -0.10     0.00   0.00   0.00
    42   6     0.00   0.00   0.00     0.00   0.00   0.02     0.00   0.00   0.00
    43   1     0.03   0.05   0.01     0.16   0.21   0.05     0.00   0.00   0.00
    44   1    -0.10   0.01  -0.04    -0.42   0.05  -0.18     0.00   0.00   0.00
    45   1    -0.03  -0.11  -0.06    -0.11  -0.45  -0.28     0.00   0.00   0.00
    46   6     0.00   0.00   0.00     0.00   0.01  -0.01     0.00   0.00   0.00
    47   1     0.04  -0.03   0.06     0.15  -0.10   0.23     0.00   0.00   0.00
    48   1    -0.03  -0.04  -0.07    -0.13  -0.16  -0.26     0.00   0.00   0.00
    49   1    -0.08   0.03  -0.02    -0.31   0.11  -0.06     0.00   0.00   0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1536.3040              1669.1085              1671.7772
 Red. masses --      1.1479                 5.6084                 5.4773
 Frc consts  --      1.5963                 9.2057                 9.0193
 IR Inten    --     35.4992               620.1329               508.7985
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.02  -0.03  -0.02     0.29   0.35   0.23
     3   8     0.00   0.00   0.00     0.01   0.02   0.01    -0.12  -0.21  -0.12
     4   7     0.00   0.00   0.00     0.01   0.00   0.00    -0.10  -0.06  -0.06
     5   1     0.00   0.00   0.00     0.04   0.01   0.02    -0.57  -0.13  -0.24
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.02  -0.01
     7   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.02   0.04
     8   1     0.00   0.00   0.00    -0.01  -0.01   0.00     0.07   0.18   0.02
     9   1     0.00   0.00   0.00     0.00  -0.01  -0.01     0.00   0.11   0.13
    10   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.04   0.01
    11   1     0.01   0.02   0.00    -0.01   0.02   0.01     0.13  -0.22  -0.12
    12   1    -0.01   0.01  -0.01     0.00   0.00   0.00     0.06   0.01   0.06
    13   1     0.01   0.00   0.00    -0.01   0.01   0.00     0.10  -0.16   0.06
    14   6     0.00   0.00   0.00     0.00   0.00  -0.02     0.00   0.00  -0.05
    15   8     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.03
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.01
    17   1     0.00   0.00   0.00     0.01   0.00   0.02     0.04  -0.01   0.05
    18   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1     0.00   0.00   0.00    -0.01   0.00   0.01    -0.03   0.01   0.01
    20   1     0.00   0.00   0.00    -0.01   0.01   0.00    -0.01   0.02   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.00  -0.01     0.01   0.00  -0.02
    24   1     0.01   0.00   0.00     0.00   0.00  -0.01     0.00  -0.01  -0.01
    25   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    26   6     0.02  -0.01  -0.04     0.00  -0.05  -0.02     0.00  -0.09  -0.04
    27   8     0.00   0.03   0.02     0.00   0.02   0.02    -0.01   0.05   0.03
    28   7    -0.03  -0.07   0.04     0.00   0.01   0.00     0.00   0.03   0.00
    29   1     0.04   0.11  -0.03     0.01   0.06  -0.01     0.02   0.12  -0.02
    30   6     0.00  -0.03   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.35   0.40   0.00    -0.01  -0.02  -0.02    -0.01  -0.03  -0.02
    32   1    -0.34   0.57  -0.10     0.01  -0.02  -0.01     0.03  -0.03  -0.02
    33   1     0.07  -0.22  -0.04     0.00  -0.01   0.00    -0.01   0.00   0.00
    34   6     0.00  -0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    35   1     0.13   0.21  -0.04    -0.01  -0.01   0.01    -0.03  -0.01   0.02
    36   1    -0.02  -0.05   0.10    -0.01  -0.01  -0.01    -0.01  -0.01   0.00
    37   1    -0.09   0.14  -0.28    -0.01   0.00   0.03    -0.01   0.00   0.06
    38   6     0.00   0.00   0.00     0.19  -0.18   0.46     0.01  -0.01   0.02
    39   8     0.00   0.00   0.00    -0.07   0.12  -0.25     0.00   0.01  -0.01
    40   7     0.00   0.00   0.00    -0.08   0.02  -0.11     0.00   0.00   0.00
    41   1     0.00   0.00   0.00    -0.46  -0.07  -0.44    -0.02   0.00  -0.02
    42   6     0.00   0.00   0.00    -0.01  -0.03   0.03     0.00   0.00   0.00
    43   1     0.00   0.00   0.00     0.07  -0.01   0.04     0.00   0.00   0.00
    44   1    -0.01   0.00   0.00     0.18   0.07  -0.07     0.01   0.00   0.00
    45   1     0.00  -0.01   0.00     0.11   0.25  -0.10     0.00   0.01  -0.01
    46   6     0.00   0.00   0.00     0.00   0.01  -0.01     0.00   0.00   0.00
    47   1     0.00   0.00   0.00     0.04   0.00   0.04     0.00   0.00   0.00
    48   1     0.00   0.00  -0.01    -0.02  -0.05   0.16     0.00   0.00   0.01
    49   1    -0.01   0.00   0.00     0.04  -0.15   0.08     0.00  -0.01   0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --   1673.5809              1675.1051              2953.1195
 Red. masses --      5.6205                 5.4078                 1.0716
 Frc consts  --      9.2752                 8.9404                 5.5063
 IR Inten    --   1099.8121               741.6001               134.0228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.06   0.07   0.05     0.02   0.02   0.01     0.00   0.00   0.00
     3   8    -0.03  -0.05  -0.03    -0.01  -0.01  -0.01     0.00   0.00   0.00
     4   7    -0.02  -0.01  -0.01    -0.01   0.00   0.00     0.00   0.00   0.00
     5   1    -0.12  -0.03  -0.05    -0.03  -0.01  -0.01     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   1     0.03   0.04   0.00     0.00   0.01   0.00     0.00   0.00   0.00
     9   1     0.00   0.02   0.03     0.00   0.01   0.01     0.00   0.00   0.00
    10   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   1     0.02  -0.05  -0.02     0.01  -0.01  -0.01     0.00   0.00   0.00
    12   1     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.02  -0.03   0.01     0.01  -0.01   0.00     0.00   0.00   0.00
    14   6     0.01   0.01   0.12     0.03   0.04   0.50    -0.06   0.03   0.03
    15   8     0.01  -0.01  -0.06     0.03  -0.04  -0.27     0.00   0.00   0.00
    16   7    -0.01   0.00  -0.03    -0.04   0.00  -0.12     0.00   0.00   0.00
    17   1    -0.08   0.02  -0.12    -0.35   0.09  -0.51     0.72  -0.34  -0.30
    18   6     0.00   0.00   0.01    -0.02   0.02   0.03    -0.01   0.00   0.00
    19   1     0.06  -0.01  -0.03     0.25  -0.06  -0.14     0.01  -0.06   0.06
    20   1     0.03  -0.04   0.00     0.12  -0.15   0.00     0.07   0.07   0.00
    21   1     0.01  -0.01   0.02     0.03  -0.03   0.07     0.00  -0.03  -0.06
    22   6     0.00   0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.02
    23   1    -0.02  -0.01   0.04    -0.08  -0.04   0.16     0.13   0.14   0.07
    24   1    -0.01   0.02   0.04    -0.02   0.11   0.15     0.02  -0.17   0.09
    25   1     0.01   0.00   0.01     0.03   0.00   0.05    -0.14   0.05   0.01
    26   6    -0.02   0.46   0.20     0.00  -0.11  -0.05     0.00   0.00   0.00
    27   8     0.03  -0.23  -0.14    -0.01   0.06   0.04     0.00   0.00   0.00
    28   7    -0.01  -0.13  -0.02     0.00   0.03   0.00     0.00   0.00   0.00
    29   1    -0.13  -0.56   0.09     0.03   0.14  -0.02     0.03   0.00  -0.05
    30   6     0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.05   0.14   0.13    -0.01  -0.03  -0.03     0.01  -0.01   0.01
    32   1    -0.12   0.14   0.07     0.02  -0.03  -0.01    -0.01   0.00   0.00
    33   1     0.01   0.04  -0.01     0.00  -0.01   0.00     0.00   0.00  -0.01
    34   6    -0.02   0.02   0.03     0.00  -0.01  -0.01     0.00   0.00   0.00
    35   1     0.15   0.06  -0.10    -0.03   0.00   0.02    -0.04   0.02  -0.04
    36   1     0.03   0.07   0.01    -0.01  -0.02   0.00     0.02  -0.04  -0.01
    37   1     0.07  -0.02  -0.28    -0.02   0.02   0.06     0.03   0.03   0.01
    38   6     0.02  -0.02   0.06     0.00   0.00   0.01     0.00   0.00   0.00
    39   8    -0.01   0.01  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    40   7    -0.01   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    41   1    -0.06  -0.01  -0.05    -0.01   0.00  -0.01     0.04   0.06  -0.03
    42   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.01
    44   1     0.02   0.01  -0.01     0.00   0.00   0.00     0.00  -0.02  -0.01
    45   1     0.02   0.04  -0.02     0.00   0.00   0.00    -0.02   0.01   0.00
    46   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.01  -0.01
    47   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.10  -0.09   0.02
    48   1     0.00  -0.01   0.02     0.00   0.00   0.00     0.23  -0.13  -0.04
    49   1     0.01  -0.02   0.01     0.00   0.00   0.00     0.01   0.12   0.16
                    115                    116                    117
                      A                      A                      A
 Frequencies --   2953.3706              2955.5338              2956.3002
 Red. masses --      1.0451                 1.0784                 1.0768
 Frc consts  --      5.3707                 5.5499                 5.5448
 IR Inten    --      9.5401                95.0843               141.6403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.04  -0.06  -0.01     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.00   0.00   0.00    -0.50   0.76   0.17     0.00  -0.01   0.00
     6   6     0.00   0.00   0.00     0.01   0.01   0.01     0.00   0.00   0.00
     7   1     0.00   0.00   0.00     0.11  -0.11   0.00    -0.04   0.04   0.00
     8   1     0.00   0.00  -0.01    -0.04   0.06  -0.18     0.02  -0.03   0.09
     9   1     0.00   0.00   0.00    -0.17  -0.07   0.09     0.07   0.03  -0.04
    10   6     0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.00   0.00
    11   1     0.00   0.00   0.01    -0.04   0.01  -0.08    -0.05   0.02  -0.09
    12   1     0.00  -0.01   0.00     0.04   0.06   0.02     0.03   0.06   0.02
    13   1     0.01   0.00  -0.01    -0.09  -0.03   0.10    -0.08  -0.03   0.09
    14   6     0.02  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.29   0.13   0.12     0.00   0.00   0.00     0.01   0.00   0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.01   0.03  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.03  -0.03   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.00   0.01   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.06  -0.06  -0.03     0.00   0.00   0.00     0.01   0.01   0.00
    24   1    -0.01   0.07  -0.04     0.00   0.01   0.00     0.00  -0.01   0.00
    25   1     0.06  -0.02   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    26   6     0.00   0.00   0.01     0.00   0.00   0.00     0.03   0.00  -0.07
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.04   0.00  -0.09    -0.01   0.00   0.02    -0.40  -0.04   0.81
    30   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
    31   1     0.00   0.00   0.00     0.01  -0.01   0.01     0.12  -0.10   0.08
    32   1     0.00   0.00   0.00    -0.01  -0.01   0.00    -0.10  -0.05  -0.01
    33   1     0.00   0.00   0.00     0.01   0.00  -0.01     0.04   0.03  -0.09
    34   6     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    35   1    -0.06   0.02  -0.06     0.00   0.00   0.00     0.12  -0.05   0.12
    36   1     0.03  -0.06  -0.02     0.00   0.00   0.00    -0.04   0.06   0.02
    37   1     0.04   0.04   0.01     0.00   0.00   0.00    -0.06  -0.06  -0.01
    38   6    -0.01  -0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1     0.14   0.18  -0.08    -0.01  -0.01   0.01     0.04   0.05  -0.02
    42   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.00   0.00   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    44   1     0.01  -0.04  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    45   1    -0.03   0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    46   6    -0.03   0.02  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    47   1    -0.25  -0.23   0.05     0.00   0.00   0.00    -0.04  -0.04   0.01
    48   1     0.56  -0.30  -0.09     0.00   0.00   0.00     0.08  -0.04  -0.01
    49   1     0.03   0.29   0.38     0.00   0.00   0.00     0.00   0.05   0.06
                    118                    119                    120
                      A                      A                      A
 Frequencies --   2959.5609              2961.5719              2963.6670
 Red. masses --      1.0765                 1.0379                 1.0374
 Frc consts  --      5.5556                 5.3638                 5.3686
 IR Inten    --    137.7735               119.6672                32.0051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1    -0.01   0.01   0.00     0.00   0.00   0.00    -0.07   0.11   0.03
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.02
     7   1     0.01  -0.01   0.00     0.00   0.00   0.00    -0.20   0.20   0.00
     8   1     0.00   0.01  -0.02     0.00   0.00   0.01     0.08  -0.11   0.38
     9   1    -0.02  -0.01   0.01     0.01   0.00   0.00     0.35   0.15  -0.19
    10   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.01  -0.01
    11   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.09   0.03  -0.18
    12   1     0.00   0.00   0.00     0.00   0.00   0.00     0.08   0.13   0.04
    13   1     0.01   0.00  -0.01     0.00   0.00   0.00    -0.19  -0.07   0.21
    14   6     0.00   0.00   0.00    -0.02   0.01   0.01     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.23  -0.11  -0.10    -0.03   0.01   0.01
    18   6     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    19   1    -0.01   0.03  -0.03     0.03  -0.11   0.11     0.00   0.02  -0.02
    20   1    -0.03  -0.03   0.00     0.16   0.16   0.00    -0.02  -0.02   0.00
    21   1     0.00   0.02   0.03    -0.01  -0.05  -0.11     0.00   0.01   0.02
    22   6     0.00   0.00  -0.01     0.01   0.01   0.04     0.00   0.00   0.00
    23   1     0.05   0.05   0.03    -0.38  -0.40  -0.21     0.01   0.01   0.01
    24   1     0.01  -0.06   0.03    -0.05   0.48  -0.27     0.00  -0.02   0.01
    25   1    -0.04   0.02   0.00     0.36  -0.13  -0.04    -0.01   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.01
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.01   0.00  -0.03     0.00   0.00   0.01     0.07   0.01  -0.14
    30   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.02   0.00
    31   1    -0.02   0.01  -0.01     0.02  -0.02   0.01     0.21  -0.18   0.14
    32   1     0.01   0.01   0.00    -0.02  -0.01   0.00    -0.17  -0.10  -0.03
    33   1     0.00   0.00   0.01     0.01   0.00  -0.01     0.06   0.05  -0.16
    34   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.02
    35   1     0.02  -0.01   0.02    -0.03   0.01  -0.03    -0.25   0.10  -0.24
    36   1    -0.01   0.02   0.01     0.01  -0.01  -0.01     0.08  -0.13  -0.05
    37   1    -0.01  -0.02   0.00     0.02   0.02   0.00     0.13   0.13   0.03
    38   6    -0.04  -0.06   0.03    -0.01  -0.01   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1     0.52   0.67  -0.31     0.06   0.08  -0.04     0.01   0.02  -0.01
    42   6    -0.01  -0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   1    -0.01   0.03  -0.13     0.00   0.00  -0.02     0.00   0.00  -0.01
    44   1    -0.04   0.18   0.13    -0.01   0.03   0.02     0.00   0.01   0.01
    45   1     0.16  -0.06   0.03     0.02  -0.01   0.00     0.01   0.00   0.00
    46   6     0.01  -0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    47   1     0.07   0.06  -0.01     0.01   0.01   0.00     0.03   0.02  -0.01
    48   1    -0.15   0.08   0.02    -0.02   0.01   0.00    -0.05   0.02   0.01
    49   1    -0.01  -0.07  -0.10     0.00  -0.01  -0.02     0.00  -0.03  -0.04
                    121                    122                    123
                      A                      A                      A
 Frequencies --   2964.4958              2970.5282              2971.0216
 Red. masses --      1.0380                 1.0457                 1.0400
 Frc consts  --      5.3747                 5.4365                 5.4089
 IR Inten    --    119.8991                61.5359                39.0325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.09  -0.14  -0.03     0.04  -0.06  -0.01    -0.01   0.02   0.00
     6   6     0.02   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.17  -0.17   0.00     0.02  -0.02   0.00     0.00   0.00   0.00
     8   1    -0.07   0.09  -0.32    -0.01   0.01  -0.05     0.00   0.00   0.01
     9   1    -0.29  -0.13   0.16    -0.04  -0.02   0.02     0.01   0.00   0.00
    10   6    -0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    11   1     0.04  -0.01   0.07    -0.06   0.02  -0.10     0.01   0.00   0.03
    12   1    -0.04  -0.06  -0.02     0.05   0.08   0.02    -0.01  -0.02  -0.01
    13   1     0.10   0.04  -0.11    -0.12  -0.04   0.13     0.03   0.01  -0.03
    14   6     0.00   0.00   0.00     0.01   0.00   0.00     0.02  -0.01   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02   0.01   0.01    -0.06   0.03   0.03    -0.20   0.09   0.08
    18   6     0.00   0.00   0.00    -0.02   0.00   0.00    -0.04   0.00   0.00
    19   1     0.00   0.02  -0.02     0.03  -0.13   0.13     0.09  -0.33   0.32
    20   1    -0.03  -0.03   0.00     0.18   0.17   0.00     0.45   0.44   0.00
    21   1     0.00   0.01   0.02    -0.01  -0.06  -0.13    -0.02  -0.16  -0.33
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    23   1     0.01   0.01   0.01     0.03   0.03   0.02     0.10   0.10   0.06
    24   1     0.00  -0.01   0.01     0.00  -0.04   0.02     0.01  -0.13   0.08
    25   1    -0.01   0.00   0.00    -0.03   0.01   0.00    -0.09   0.03   0.01
    26   6     0.00   0.00  -0.01    -0.01   0.00   0.02     0.00   0.00  -0.01
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1    -0.03   0.00   0.06     0.14   0.01  -0.28    -0.05   0.00   0.10
    30   6    -0.01   0.03   0.00    -0.01   0.02   0.00     0.00  -0.01   0.00
    31   1     0.34  -0.28   0.22     0.29  -0.24   0.18    -0.09   0.08  -0.06
    32   1    -0.26  -0.15  -0.04    -0.20  -0.12  -0.03     0.06   0.04   0.01
    33   1     0.08   0.08  -0.23     0.07   0.06  -0.20    -0.02  -0.02   0.06
    34   6     0.00  -0.01   0.02    -0.01   0.01  -0.03     0.00   0.00   0.01
    35   1    -0.26   0.10  -0.26     0.37  -0.15   0.36    -0.15   0.06  -0.15
    36   1     0.08  -0.14  -0.05    -0.11   0.19   0.07     0.05  -0.08  -0.03
    37   1     0.14   0.14   0.03    -0.18  -0.19  -0.03     0.07   0.07   0.01
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1    -0.01  -0.01   0.00     0.02   0.03  -0.01     0.00   0.00   0.00
    42   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.00
    43   1     0.00   0.00  -0.02     0.00  -0.01   0.05    -0.01   0.02  -0.07
    44   1     0.00   0.02   0.02     0.01  -0.07  -0.05    -0.02   0.10   0.07
    45   1     0.02  -0.01   0.00    -0.06   0.02  -0.01     0.09  -0.03   0.02
    46   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   1     0.02   0.02   0.00    -0.01  -0.01   0.00     0.00   0.00   0.00
    48   1    -0.04   0.02   0.01     0.02  -0.01   0.00     0.00   0.00   0.00
    49   1     0.00  -0.03  -0.03     0.00   0.02   0.03     0.00   0.00   0.00
                    124                    125                    126
                      A                      A                      A
 Frequencies --   2971.6474              2972.6553              3026.8341
 Red. masses --      1.0413                 1.0398                 1.1048
 Frc consts  --      5.4178                 5.4138                 5.9637
 IR Inten    --     41.6671                30.3262                50.9606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.02   0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.14  -0.22  -0.05     0.01  -0.02   0.00     0.00   0.00   0.00
     6   6     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.11  -0.11   0.00     0.02  -0.02   0.00     0.00   0.00   0.00
     8   1    -0.05   0.06  -0.21    -0.01   0.01  -0.03     0.00   0.00   0.00
     9   1    -0.20  -0.09   0.11    -0.03  -0.01   0.02     0.00   0.00   0.00
    10   6     0.04  -0.02  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.19   0.06  -0.35    -0.02   0.01  -0.03     0.00   0.00   0.00
    12   1     0.17   0.29   0.08     0.01   0.02   0.01     0.00   0.00   0.00
    13   1    -0.42  -0.14   0.46    -0.04  -0.01   0.04     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.01   0.00   0.00    -0.02   0.01   0.01     0.00   0.00   0.00
    18   6     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    19   1     0.00   0.01  -0.01     0.01  -0.04   0.04     0.00   0.00   0.00
    20   1    -0.02  -0.02   0.00     0.05   0.05   0.00     0.00   0.00   0.00
    21   1     0.00   0.01   0.01     0.00  -0.02  -0.03     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01  -0.01   0.00     0.01   0.01   0.01     0.00   0.00   0.00
    24   1     0.00   0.01   0.00     0.00  -0.01   0.01     0.00   0.00   0.00
    25   1     0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00    -0.02   0.00   0.05     0.00   0.00   0.00
    30   6     0.01  -0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1    -0.15   0.12  -0.09    -0.06   0.05  -0.04     0.00   0.00   0.00
    32   1     0.10   0.06   0.02     0.04   0.02   0.01     0.01   0.00   0.00
    33   1    -0.03  -0.03   0.08    -0.01  -0.01   0.04     0.00   0.00   0.00
    34   6     0.00   0.00   0.01     0.00   0.00   0.01    -0.01   0.00   0.00
    35   1    -0.07   0.03  -0.07    -0.09   0.04  -0.09     0.04  -0.02   0.05
    36   1     0.02  -0.04  -0.01     0.02  -0.04  -0.01     0.03  -0.05  -0.02
    37   1     0.04   0.04   0.01     0.04   0.04   0.01     0.02   0.02   0.00
    38   6     0.00   0.00   0.00    -0.02  -0.02   0.01     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1    -0.02  -0.03   0.01     0.16   0.20  -0.09     0.00   0.00   0.00
    42   6     0.00   0.00   0.00     0.03   0.04   0.01    -0.01   0.01   0.00
    43   1    -0.01   0.01  -0.05     0.04  -0.09   0.38     0.00   0.00  -0.01
    44   1    -0.02   0.07   0.05     0.11  -0.52  -0.37     0.01  -0.05  -0.03
    45   1     0.06  -0.02   0.01    -0.47   0.18  -0.08     0.06  -0.02   0.01
    46   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.05   0.05   0.06
    47   1     0.00   0.00   0.00     0.05   0.05  -0.01     0.09   0.10  -0.01
    48   1     0.01   0.00   0.00    -0.10   0.06   0.01     0.55  -0.28  -0.08
    49   1     0.00   0.00   0.00    -0.01  -0.05  -0.07    -0.06  -0.46  -0.60
                    127                    128                    129
                      A                      A                      A
 Frequencies --   3031.6764              3037.6601              3042.5140
 Red. masses --      1.1058                 1.1061                 1.1000
 Frc consts  --      5.9880                 6.0134                 5.9992
 IR Inten    --     58.7124                50.1135                48.9641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.04   0.03  -0.08     0.00   0.00   0.01
     7   1     0.00   0.00   0.00    -0.01   0.02  -0.01     0.00   0.00   0.00
     8   1     0.00   0.00   0.00     0.16  -0.19   0.65    -0.02   0.02  -0.07
     9   1     0.00   0.00   0.00    -0.56  -0.23   0.29     0.06   0.02  -0.03
    10   6     0.00   0.00   0.00     0.00   0.01  -0.02     0.00   0.01  -0.02
    11   1     0.00   0.00   0.00     0.08  -0.02   0.13     0.08  -0.02   0.13
    12   1     0.00   0.00   0.00    -0.02  -0.04  -0.01    -0.02  -0.03  -0.01
    13   1     0.00   0.00   0.00    -0.08  -0.02   0.08    -0.09  -0.03   0.09
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   6    -0.01  -0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.03   0.10  -0.10     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.09   0.09   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.00   0.01   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    22   6    -0.03  -0.09   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.45   0.44   0.25     0.00   0.00   0.00     0.00   0.00   0.00
    24   1    -0.08   0.60  -0.35     0.00   0.00   0.00     0.00   0.00   0.00
    25   1     0.04  -0.03   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.00   0.00  -0.01    -0.01   0.00   0.01
    30   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.07   0.00  -0.05
    31   1     0.00   0.00   0.00     0.03  -0.03   0.02     0.37  -0.33   0.25
    32   1     0.00   0.00   0.00     0.03   0.02   0.00     0.62   0.38   0.08
    33   1     0.00   0.00   0.00    -0.01  -0.01   0.03    -0.10  -0.08   0.24
    34   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    35   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.01   0.02
    36   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.04  -0.02
    37   1     0.00   0.00   0.00     0.00   0.00   0.00     0.04   0.05   0.01
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    42   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    44   1     0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.00   0.00
    45   1     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    46   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    48   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
    49   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.01
                    130                    131                    132
                      A                      A                      A
 Frequencies --   3047.2326              3048.7324              3049.2430
 Red. masses --      1.1042                 1.1052                 1.1019
 Frc consts  --      6.0408                 6.0525                 6.0366
 IR Inten    --     23.8508                27.0699                21.3618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.01
     7   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.02   0.01   0.00
     8   1     0.00   0.00   0.00     0.00   0.00  -0.02    -0.03   0.04  -0.12
     9   1     0.00   0.00   0.00     0.01   0.00  -0.01     0.10   0.04  -0.05
    10   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.04  -0.08
    11   1     0.00   0.00   0.00     0.01   0.00   0.02     0.35  -0.09   0.61
    12   1     0.00   0.00   0.00     0.00  -0.01   0.00    -0.12  -0.20  -0.07
    13   1     0.00   0.00   0.00    -0.01   0.00   0.01    -0.39  -0.13   0.41
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   6     0.03   0.08  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    19   1     0.15  -0.49   0.50     0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.46  -0.43  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    21   1    -0.01  -0.07  -0.19     0.00   0.00   0.00     0.00   0.00   0.00
    22   6    -0.01  -0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.08   0.08   0.04     0.00   0.00   0.00     0.00   0.00   0.00
    24   1    -0.02   0.13  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    25   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.02
    30   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.01   0.00
    31   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.06  -0.04
    32   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.19  -0.12  -0.03
    33   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.02
    34   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00  -0.01
    36   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
    37   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01   0.00
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    42   6     0.00   0.00   0.00     0.06  -0.06  -0.03     0.00   0.00   0.00
    43   1     0.00   0.00   0.00     0.03  -0.05   0.17     0.00   0.00   0.00
    44   1     0.00   0.00   0.00    -0.10   0.53   0.38     0.00  -0.02  -0.01
    45   1     0.00   0.00   0.00    -0.66   0.24  -0.14     0.02  -0.01   0.00
    46   6     0.00   0.00   0.00    -0.01   0.00   0.01     0.00   0.00   0.00
    47   1     0.00   0.00   0.00     0.03   0.03   0.00     0.00   0.00   0.00
    48   1     0.00   0.00   0.00     0.06  -0.03  -0.01     0.00   0.00   0.00
    49   1     0.00   0.00   0.00    -0.01  -0.04  -0.04     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --   3055.9181              3079.8617              3081.3935
 Red. masses --      1.0974                 1.1044                 1.1045
 Frc consts  --      6.0381                 6.1722                 6.1790
 IR Inten    --     14.1840                23.6746                20.4577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.08  -0.05   0.01
     7   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.63   0.63   0.01
     8   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.05   0.08  -0.29
     9   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.24  -0.11   0.14
    10   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.02   0.01  -0.04
    12   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.05  -0.02
    13   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.01   0.00   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
    18   6     0.00   0.00   0.00     0.00   0.00  -0.01     0.00   0.00   0.00
    19   1     0.00   0.00   0.00     0.01  -0.03   0.02     0.00   0.00   0.00
    20   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.03   0.06     0.00   0.00   0.00
    22   6     0.00   0.00   0.00    -0.09   0.03  -0.01     0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.17   0.20   0.10     0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.02  -0.28   0.16     0.00   0.00   0.00
    25   1     0.00   0.00   0.00     0.84  -0.31  -0.09     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1    -0.04   0.03  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    32   1    -0.06  -0.04  -0.01     0.00   0.00   0.00     0.01   0.01   0.00
    33   1     0.00   0.00   0.01     0.00   0.00   0.00     0.01   0.01  -0.02
    34   6    -0.09  -0.01  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.35  -0.15   0.35     0.00   0.00   0.00     0.00   0.00   0.00
    36   1     0.17  -0.33  -0.13     0.00   0.00   0.00     0.00   0.00   0.00
    37   1     0.49   0.55   0.09     0.00   0.00   0.00     0.00   0.00   0.00
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    42   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.01   0.05
    44   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    45   1    -0.01   0.00   0.00     0.00   0.00   0.00     0.02  -0.01   0.00
    46   6     0.00  -0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   1     0.02   0.02   0.00     0.01   0.00   0.00     0.01   0.01   0.00
    48   1    -0.06   0.03   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    49   1     0.00   0.03   0.04     0.00   0.00   0.00     0.00   0.00   0.01
                    136                    137                    138
                      A                      A                      A
 Frequencies --   3083.8351              3090.6047              3093.1290
 Red. masses --      1.1036                 1.1037                 1.1045
 Frc consts  --      6.1836                 6.2115                 6.2263
 IR Inten    --     21.1511                 9.6064                 8.9237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.02   0.02   0.00    -0.04   0.04   0.00     0.03  -0.03   0.00
     8   1     0.00   0.00  -0.01     0.00   0.01  -0.02     0.00   0.00   0.02
     9   1    -0.01   0.00   0.00    -0.01  -0.01   0.01     0.01   0.00  -0.01
    10   6     0.00   0.00   0.00    -0.03  -0.03  -0.01     0.00   0.00   0.00
    11   1     0.00   0.00   0.00     0.07  -0.02   0.13     0.00   0.00   0.00
    12   1     0.00   0.00   0.00     0.24   0.41   0.12     0.00   0.00   0.00
    13   1     0.00   0.00   0.00     0.08   0.03  -0.10     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1     0.00   0.02  -0.02     0.00   0.00   0.00     0.00   0.01  -0.01
    20   1    -0.01  -0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.00  -0.02  -0.04     0.00   0.00   0.00     0.00  -0.01  -0.02
    22   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6     0.00   0.00   0.00     0.04   0.04  -0.06     0.00   0.00   0.00
    31   1     0.00   0.00   0.00     0.12  -0.08   0.06     0.00   0.00   0.00
    32   1     0.00   0.00   0.00    -0.32  -0.18  -0.05     0.01   0.00   0.00
    33   1     0.00   0.00   0.00    -0.25  -0.22   0.66     0.01   0.01  -0.02
    34   6     0.00  -0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00   0.00   0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    36   1    -0.01   0.03   0.01     0.00   0.00   0.00     0.00  -0.01   0.00
    37   1     0.04   0.04   0.01    -0.02  -0.02   0.00     0.00   0.00   0.00
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    42   6     0.00   0.00   0.01     0.00   0.00   0.00    -0.03   0.02  -0.09
    43   1    -0.01   0.02  -0.08     0.00   0.00   0.01     0.08  -0.21   0.85
    44   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.04   0.17   0.11
    45   1    -0.06   0.02  -0.01     0.01   0.00   0.00     0.37  -0.14   0.06
    46   6     0.07   0.06   0.01     0.00   0.00   0.00     0.01   0.01   0.00
    47   1    -0.66  -0.61   0.13     0.00   0.00   0.00    -0.07  -0.06   0.01
    48   1    -0.18   0.11   0.03     0.00   0.00   0.00    -0.02   0.01   0.01
    49   1    -0.01  -0.20  -0.27     0.00   0.00   0.00     0.00  -0.02  -0.02
                    139                    140                    141
                      A                      A                      A
 Frequencies --   3094.8091              3096.4939              3105.5656
 Red. masses --      1.1042                 1.1041                 1.1041
 Frc consts  --      6.2312                 6.2371                 6.2737
 IR Inten    --     10.7680                15.9492                 7.0999
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1  55     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00   0.00   0.00    -0.03   0.03   0.00     0.00   0.00   0.00
     8   1     0.00   0.00   0.00     0.00   0.01  -0.02     0.00   0.00   0.00
     9   1     0.00   0.00   0.00    -0.01   0.00   0.00     0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.05  -0.05  -0.04     0.00   0.00   0.00
    11   1     0.00   0.00   0.00     0.20  -0.06   0.37     0.00   0.00  -0.01
    12   1     0.00   0.00   0.00     0.36   0.60   0.18     0.00  -0.01   0.00
    13   1     0.00   0.00   0.00     0.08   0.02  -0.10     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   6    -0.02  -0.02  -0.09     0.00   0.00   0.00     0.00   0.00   0.00
    19   1     0.07  -0.29   0.28     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.13   0.13  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.05   0.38   0.80     0.00   0.00   0.00     0.00   0.00   0.00
    22   6     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00   0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.06   0.02   0.01    -0.01   0.00   0.00     0.00   0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
    30   6     0.00   0.00   0.00    -0.02  -0.02   0.04     0.00   0.00   0.00
    31   1     0.00   0.00   0.00    -0.07   0.05  -0.04     0.00   0.00   0.00
    32   1     0.00   0.00   0.00     0.18   0.11   0.03     0.00   0.00   0.00
    33   1     0.00   0.00   0.00     0.15   0.14  -0.41    -0.01  -0.01   0.02
    34   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.09  -0.02
    35   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.07   0.01  -0.07
    36   1     0.00   0.00   0.00    -0.01   0.01   0.00    -0.39   0.70   0.26
    37   1     0.00   0.00   0.00     0.02   0.02   0.00     0.35   0.37   0.07
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    41   1     0.00  -0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    42   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   1     0.00  -0.01   0.02     0.00   0.00  -0.01     0.00   0.00   0.01
    44   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    45   1     0.01   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    46   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    47   1    -0.03  -0.03   0.01     0.00   0.00   0.00     0.03   0.03  -0.01
    48   1    -0.01   0.00   0.00     0.00   0.00   0.00     0.05  -0.03  -0.01
    49   1     0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number 55 and mass 132.90543
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  1 and mass   1.00783
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  7 and mass  14.00307
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  8 and mass  15.99491
 Atom    28 has atomic number  7 and mass  14.00307
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  6 and mass  12.00000
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  6 and mass  12.00000
 Atom    39 has atomic number  8 and mass  15.99491
 Atom    40 has atomic number  7 and mass  14.00307
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  6 and mass  12.00000
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  6 and mass  12.00000
 Atom    47 has atomic number  1 and mass   1.00783
 Atom    48 has atomic number  1 and mass   1.00783
 Atom    49 has atomic number  1 and mass   1.00783
 Molecular mass:   425.11648 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  8335.089059238.874759782.96124
           X            0.45036   0.88981  -0.07359
           Y            0.75492  -0.33549   0.56351
           Z           -0.47672   0.30934   0.82283
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01039     0.00937     0.00885
 Rotational constants (GHZ):           0.21652     0.19534     0.18448
 Zero-point vibrational energy    1076823.6 (Joules/Mol)
                                  257.36701 (Kcal/Mol)
 Warning -- explicit consideration of  45 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     13.52    50.21    60.16    65.17    76.15
          (Kelvin)             81.64    88.44    90.64   100.40   118.01
                              120.82   140.64   154.88   158.79   164.41
                              182.47   190.55   214.98   232.89   257.02
                              260.61   275.16   292.30   306.01   313.66
                              340.44   352.66   360.86   398.42   402.16
                              404.50   415.39   427.09   483.43   493.60
                              494.06   503.65   507.09   522.11   527.17
                              533.98   614.25   617.15   618.99   631.46
                              927.24   928.74   931.28   936.17  1221.34
                             1222.60  1223.48  1224.28  1411.47  1414.40
                             1416.61  1421.64  1538.27  1539.14  1540.09
                             1546.36  1566.09  1568.02  1569.96  1579.38
                             1594.25  1607.25  1616.87  1618.25  1658.30
                             1668.98  1680.56  1682.27  1780.55  1781.16
                             1782.53  1786.17  2003.69  2004.68  2006.89
                             2008.20  2038.05  2038.72  2039.64  2045.07
                             2065.26  2066.82  2068.41  2071.52  2074.00
                             2079.04  2082.75  2085.57  2094.99  2095.65
                             2106.66  2108.37  2112.65  2114.94  2118.20
                             2122.75  2139.76  2144.51  2151.07  2168.00
                             2174.26  2175.71  2193.53  2210.40  2401.47
                             2405.31  2407.91  2410.10  4248.88  4249.24
                             4252.35  4253.45  4258.14  4261.04  4264.05
                             4265.24  4273.92  4274.63  4275.53  4276.98
                             4354.93  4361.90  4370.51  4377.49  4384.28
                             4386.44  4387.18  4396.78  4431.23  4433.43
                             4436.95  4446.69  4450.32  4452.73  4455.16
                             4468.21
 
 Zero-point correction=                           0.410140 (Hartree/Particle)
 Thermal correction to Energy=                    0.440229
 Thermal correction to Enthalpy=                  0.441173
 Thermal correction to Gibbs Free Energy=         0.346282
 Sum of electronic and zero-point Energies=          -1013.041339
 Sum of electronic and thermal Energies=             -1013.011251
 Sum of electronic and thermal Enthalpies=           -1013.010307
 Sum of electronic and thermal Free Energies=        -1013.105198
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  276.248            101.799            199.716
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             44.032
 Rotational               0.889              2.981             34.976
 Vibrational            274.470             95.837            120.708
 Vibration     1          0.593              1.987              8.135
 Vibration     2          0.594              1.983              5.529
 Vibration     3          0.594              1.980              5.171
 Vibration     4          0.595              1.979              5.013
 Vibration     5          0.596              1.976              4.705
 Vibration     6          0.596              1.975              4.567
 Vibration     7          0.597              1.973              4.409
 Vibration     8          0.597              1.972              4.361
 Vibration     9          0.598              1.969              4.159
 Vibration    10          0.600              1.961              3.842
 Vibration    11          0.601              1.960              3.796
 Vibration    12          0.603              1.951              3.499
 Vibration    13          0.606              1.943              3.311
 Vibration    14          0.606              1.941              3.263
 Vibration    15          0.607              1.938              3.195
 Vibration    16          0.611              1.926              2.994
 Vibration    17          0.613              1.921              2.910
 Vibration    18          0.618              1.903              2.680
 Vibration    19          0.622              1.889              2.528
 Vibration    20          0.629              1.869              2.343
 Vibration    21          0.630              1.865              2.317
 Vibration    22          0.634              1.852              2.216
 Vibration    23          0.639              1.835              2.104
 Vibration    24          0.644              1.822              2.020
 Vibration    25          0.646              1.814              1.976
 Vibration    26          0.656              1.785              1.828
 Vibration    27          0.660              1.771              1.765
 Vibration    28          0.663              1.761              1.725
 Vibration    29          0.678              1.716              1.553
 Vibration    30          0.680              1.711              1.537
 Vibration    31          0.681              1.709              1.527
 Vibration    32          0.685              1.695              1.482
 Vibration    33          0.690              1.680              1.435
 Vibration    34          0.717              1.604              1.231
 Vibration    35          0.722              1.589              1.198
 Vibration    36          0.722              1.589              1.196
 Vibration    37          0.727              1.575              1.166
 Vibration    38          0.729              1.570              1.155
 Vibration    39          0.737              1.549              1.110
 Vibration    40          0.739              1.541              1.095
 Vibration    41          0.743              1.531              1.075
 Vibration    42          0.789              1.412              0.869
 Vibration    43          0.790              1.407              0.862
 Vibration    44          0.791              1.404              0.858
 Vibration    45          0.799              1.385              0.830
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.526992-159       -159.278196       -366.751599
 Total V=0       0.236000D+30         29.372911         67.633628
 Vib (Bot)       0.155683-174       -174.807759       -402.509740
 Vib (Bot)    1  0.220585D+02          1.343576          3.093697
 Vib (Bot)    2  0.593088D+01          0.773119          1.780172
 Vib (Bot)    3  0.494719D+01          0.694359          1.598820
 Vib (Bot)    4  0.456556D+01          0.659494          1.518541
 Vib (Bot)    5  0.390445D+01          0.591560          1.362117
 Vib (Bot)    6  0.364041D+01          0.561150          1.292096
 Vib (Bot)    7  0.335890D+01          0.526197          1.211612
 Vib (Bot)    8  0.327690D+01          0.515463          1.186897
 Vib (Bot)    9  0.295554D+01          0.470636          1.083680
 Vib (Bot)   10  0.251001D+01          0.399676          0.920288
 Vib (Bot)   11  0.245086D+01          0.389319          0.896440
 Vib (Bot)   12  0.210044D+01          0.322310          0.742146
 Vib (Bot)   13  0.190358D+01          0.279571          0.643736
 Vib (Bot)   14  0.185568D+01          0.268504          0.618253
 Vib (Bot)   15  0.179064D+01          0.253009          0.582575
 Vib (Bot)   16  0.160877D+01          0.206495          0.475471
 Vib (Bot)   17  0.153840D+01          0.187070          0.430745
 Vib (Bot)   18  0.135730D+01          0.132677          0.305501
 Vib (Bot)   19  0.124825D+01          0.096301          0.221742
 Vib (Bot)   20  0.112489D+01          0.051111          0.117687
 Vib (Bot)   21  0.110840D+01          0.044696          0.102917
 Vib (Bot)   22  0.104604D+01          0.019548          0.045011
 Vib (Bot)   23  0.980295D+00         -0.008643         -0.019901
 Vib (Bot)   24  0.932819D+00         -0.030203         -0.069544
 Vib (Bot)   25  0.908105D+00         -0.041864         -0.096395
 Vib (Bot)   26  0.829944D+00         -0.080951         -0.186397
 Vib (Bot)   27  0.798079D+00         -0.097954         -0.225547
 Vib (Bot)   28  0.777861D+00         -0.109098         -0.251207
 Vib (Bot)   29  0.695424D+00         -0.157750         -0.363233
 Vib (Bot)   30  0.688006D+00         -0.162408         -0.373958
 Vib (Bot)   31  0.683452D+00         -0.165292         -0.380599
 Vib (Bot)   32  0.662840D+00         -0.178591         -0.411221
 Vib (Bot)   33  0.641801D+00         -0.192600         -0.443478
 Vib (Bot)   34  0.554017D+00         -0.256477         -0.590560
 Vib (Bot)   35  0.540193D+00         -0.267451         -0.615829
 Vib (Bot)   36  0.539582D+00         -0.267943         -0.616961
 Vib (Bot)   37  0.527038D+00         -0.278158         -0.640484
 Vib (Bot)   38  0.522651D+00         -0.281788         -0.648841
 Vib (Bot)   39  0.504119D+00         -0.297467         -0.684943
 Vib (Bot)   40  0.498098D+00         -0.302685         -0.696958
 Vib (Bot)   41  0.490169D+00         -0.309654         -0.713005
 Vib (Bot)   42  0.409106D+00         -0.388165         -0.893782
 Vib (Bot)   43  0.406540D+00         -0.390897         -0.900073
 Vib (Bot)   44  0.404927D+00         -0.392623         -0.904049
 Vib (Bot)   45  0.394237D+00         -0.404243         -0.930803
 Vib (V=0)       0.697185D+14         13.843348         31.875487
 Vib (V=0)    1  0.225641D+02          1.353419          3.116362
 Vib (V=0)    2  0.645192D+01          0.809689          1.864377
 Vib (V=0)    3  0.547239D+01          0.738177          1.699716
 Vib (V=0)    4  0.509285D+01          0.706961          1.627839
 Vib (V=0)    5  0.443634D+01          0.647024          1.489829
 Vib (V=0)    6  0.417459D+01          0.620614          1.429015
 Vib (V=0)    7  0.389591D+01          0.590609          1.359926
 Vib (V=0)    8  0.381483D+01          0.581475          1.338895
 Vib (V=0)    9  0.349753D+01          0.543762          1.252057
 Vib (V=0)   10  0.305933D+01          0.485626          1.118196
 Vib (V=0)   11  0.300135D+01          0.477316          1.099061
 Vib (V=0)   12  0.265913D+01          0.424740          0.977999
 Vib (V=0)   13  0.246815D+01          0.392372          0.903469
 Vib (V=0)   14  0.242186D+01          0.384150          0.884537
 Vib (V=0)   15  0.235914D+01          0.372754          0.858297
 Vib (V=0)   16  0.218468D+01          0.339388          0.781470
 Vib (V=0)   17  0.211762D+01          0.325847          0.750291
 Vib (V=0)   18  0.194647D+01          0.289248          0.666017
 Vib (V=0)   19  0.184467D+01          0.265918          0.612298
 Vib (V=0)   20  0.173101D+01          0.238299          0.548704
 Vib (V=0)   21  0.171596D+01          0.234506          0.539970
 Vib (V=0)   22  0.165940D+01          0.219950          0.506454
 Vib (V=0)   23  0.160044D+01          0.204241          0.470282
 Vib (V=0)   24  0.155837D+01          0.192671          0.443642
 Vib (V=0)   25  0.153666D+01          0.186577          0.429608
 Vib (V=0)   26  0.146892D+01          0.166998          0.384528
 Vib (V=0)   27  0.144177D+01          0.158896          0.365871
 Vib (V=0)   28  0.142470D+01          0.153723          0.353960
 Vib (V=0)   29  0.135651D+01          0.132424          0.304918
 Vib (V=0)   30  0.135050D+01          0.130495          0.300475
 Vib (V=0)   31  0.134682D+01          0.129310          0.297747
 Vib (V=0)   32  0.133028D+01          0.123942          0.285386
 Vib (V=0)   33  0.131358D+01          0.118456          0.272754
 Vib (V=0)   34  0.124628D+01          0.095616          0.220164
 Vib (V=0)   35  0.123608D+01          0.092045          0.211942
 Vib (V=0)   36  0.123563D+01          0.091888          0.211579
 Vib (V=0)   37  0.122648D+01          0.088659          0.204146
 Vib (V=0)   38  0.122330D+01          0.087533          0.201553
 Vib (V=0)   39  0.121003D+01          0.082794          0.190641
 Vib (V=0)   40  0.120576D+01          0.081262          0.187113
 Vib (V=0)   41  0.120019D+01          0.079250          0.182480
 Vib (V=0)   42  0.114604D+01          0.059200          0.136312
 Vib (V=0)   43  0.114442D+01          0.058585          0.134896
 Vib (V=0)   44  0.114340D+01          0.058199          0.134008
 Vib (V=0)   45  0.113673D+01          0.055657          0.128154
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.344522D+09          8.537217         19.657669
 Rotational      0.982531D+07          6.992346         16.100472
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1       55           0.000003232   -0.000002710   -0.000028080
      2        6          -0.000006636    0.000026077    0.000011138
      3        8           0.000001812    0.000036390    0.000006033
      4        7           0.000006983    0.000022184    0.000020310
      5        1           0.000006274    0.000027987    0.000019878
      6        6           0.000002330    0.000018473    0.000016866
      7        1           0.000006523    0.000012759    0.000030915
      8        1           0.000014674    0.000002849    0.000019029
      9        1           0.000007413    0.000017569    0.000024150
     10        6          -0.000001104    0.000016772   -0.000004732
     11        1           0.000000166    0.000008997    0.000001811
     12        1          -0.000007315    0.000022739    0.000004630
     13        1          -0.000000085    0.000023473    0.000004952
     14        6          -0.000015357   -0.000002723   -0.000020120
     15        8          -0.000007225   -0.000013014   -0.000024796
     16        7          -0.000009800    0.000003694   -0.000030773
     17        1          -0.000008988   -0.000002404   -0.000031135
     18        6          -0.000004589    0.000004612   -0.000021909
     19        1          -0.000005805    0.000012994   -0.000014519
     20        1          -0.000008644    0.000008469   -0.000023485
     21        1          -0.000007685   -0.000003454   -0.000013435
     22        6          -0.000008073    0.000011474   -0.000010534
     23        1          -0.000012928    0.000024985   -0.000037996
     24        1          -0.000001250    0.000025220   -0.000024843
     25        1          -0.000011260    0.000014165   -0.000030094
     26        6           0.000000371   -0.000015977    0.000007961
     27        8           0.000003893   -0.000019233    0.000015892
     28        7          -0.000004195   -0.000017245    0.000002309
     29        1           0.000001280   -0.000007815    0.000004966
     30        6          -0.000002597   -0.000010325   -0.000011509
     31        1          -0.000006074   -0.000015369   -0.000018455
     32        1          -0.000002525   -0.000003374   -0.000019256
     33        1          -0.000002426   -0.000003050   -0.000011489
     34        6          -0.000000849   -0.000023151   -0.000009114
     35        1          -0.000000456   -0.000033527   -0.000008171
     36        1           0.000004147   -0.000025466    0.000003937
     37        1          -0.000002645   -0.000021154   -0.000012046
     38        6           0.000001417    0.000004734    0.000008395
     39        8           0.000005293    0.000006892    0.000023992
     40        7           0.000012056   -0.000008359    0.000025491
     41        1           0.000006760   -0.000003515    0.000012619
     42        6          -0.000003652   -0.000025538    0.000050630
     43        1           0.000010379   -0.000002309    0.000023714
     44        1           0.000023208   -0.000001950    0.000015506
     45        1           0.000005241   -0.000009847    0.000014423
     46        6           0.000002404   -0.000012139    0.000013620
     47        1           0.000002870   -0.000020821    0.000003117
     48        1           0.000006615   -0.000021720    0.000005002
     49        1           0.000006820   -0.000027319    0.000015206
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000050630 RMS     0.000015570
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 GSVD:  received Info=                   1 from GESDD.
 Leave Link  716 at Mon Nov 14 06:44:40 2016, MaxMem=  2952790016 cpu:        17.3
 (Enter /mnt/data/applications/G09/g09/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Red2BG is reusing G-inverse.
 Internal  Forces:  Max     0.000005699 RMS     0.000001089
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 ITU=  0
     Eigenvalues ---    0.00000   0.00012   0.00024   0.00036   0.00051
     Eigenvalues ---    0.00062   0.00066   0.00077   0.00083   0.00084
     Eigenvalues ---    0.00089   0.00097   0.00110   0.00122   0.00140
     Eigenvalues ---    0.00167   0.00197   0.00220   0.00224   0.00241
     Eigenvalues ---    0.00317   0.00412   0.00426   0.00479   0.00563
     Eigenvalues ---    0.00572   0.00595   0.00633   0.00647   0.00662
     Eigenvalues ---    0.00701   0.00747   0.00779   0.00797   0.00868
     Eigenvalues ---    0.01148   0.01178   0.01218   0.01300   0.01345
     Eigenvalues ---    0.01426   0.01577   0.01651   0.01710   0.01733
     Eigenvalues ---    0.01822   0.01919   0.01934   0.01978   0.02014
     Eigenvalues ---    0.02019   0.02098   0.02188   0.02362   0.02556
     Eigenvalues ---    0.02664   0.02785   0.03242   0.03646   0.03794
     Eigenvalues ---    0.03846   0.04471   0.04489   0.04553   0.04632
     Eigenvalues ---    0.05122   0.05212   0.05231   0.05233   0.05304
     Eigenvalues ---    0.05335   0.05342   0.05428   0.05440   0.05498
     Eigenvalues ---    0.05648   0.05942   0.06830   0.06845   0.07124
     Eigenvalues ---    0.07181   0.07267   0.07317   0.07495   0.07584
     Eigenvalues ---    0.08429   0.08504   0.08542   0.08727   0.10815
     Eigenvalues ---    0.10973   0.11268   0.11659   0.12385   0.12408
     Eigenvalues ---    0.12736   0.12935   0.17137   0.18434   0.18584
     Eigenvalues ---    0.19376   0.19727   0.20078   0.20239   0.21791
     Eigenvalues ---    0.22061   0.22161   0.22510   0.22605   0.23031
     Eigenvalues ---    0.23694   0.23925   0.27757   0.28945   0.29098
     Eigenvalues ---    0.29862   0.30964   0.31041   0.31080   0.31124
     Eigenvalues ---    0.31829   0.31995   0.32074   0.32076   0.32148
     Eigenvalues ---    0.32186   0.32248   0.32281   0.33183   0.33214
     Eigenvalues ---    0.33228   0.33345   0.33457   0.33483   0.33508
     Eigenvalues ---    0.33536   0.33766   0.70824   0.70936   0.71378
     Eigenvalues ---    0.71436
 Quadratic step=1.336D+00 exceeds max=3.000D-01 adjusted using Lamda=-1.191D-05.
 Angle between NR and scaled steps=   6.76 degrees.
 Angle between quadratic step and forces=  78.80 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00683176 RMS(Int)=  0.00020278
 Iteration  2 RMS(Cart)=  0.00020303 RMS(Int)=  0.00002137
 Iteration  3 RMS(Cart)=  0.00000010 RMS(Int)=  0.00002137
 ITry= 1 IFail=0 DXMaxC= 8.59D-02 DCOld= 1.00D+10 DXMaxT= 3.00D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        6.58559   0.00000   0.00000   0.00566   0.00566   6.59125
    R2        6.25214   0.00000   0.00000  -0.00035  -0.00035   6.25179
    R3        7.16683   0.00000   0.00000  -0.00240  -0.00240   7.16444
    R4        6.20972   0.00000   0.00000  -0.00236  -0.00236   6.20736
    R5        6.54742   0.00000   0.00000   0.00005   0.00005   6.54748
    R6        5.94141   0.00000   0.00000   0.00681   0.00681   5.94822
    R7        6.68765   0.00000   0.00000  -0.00282  -0.00282   6.68483
    R8        6.21590   0.00000   0.00000   0.00097   0.00096   6.21687
    R9        6.63849   0.00000   0.00000   0.00541   0.00540   6.64389
   R10        6.06550   0.00000   0.00000  -0.00171  -0.00171   6.06378
   R11        6.93766   0.00000   0.00000  -0.00088  -0.00089   6.93677
   R12        6.02080   0.00000   0.00000  -0.00096  -0.00096   6.01984
   R13        6.88834   0.00000   0.00000   0.00201   0.00201   6.89036
   R14        6.19164   0.00000   0.00000   0.00134   0.00135   6.19298
   R15        6.83083   0.00000   0.00000  -0.00090  -0.00089   6.82994
   R16        5.92838   0.00000   0.00000  -0.00291  -0.00291   5.92547
   R17        6.68968   0.00000   0.00000   0.00537   0.00536   6.69504
   R18        6.54479   0.00000   0.00000  -0.00042  -0.00044   6.54435
   R19        6.22839   0.00000   0.00000   0.00910   0.00909   6.23748
   R20        6.55928   0.00000   0.00000  -0.00355  -0.00355   6.55572
   R21        6.01623   0.00000   0.00000   0.00058   0.00062   6.01685
   R22        7.05580   0.00000   0.00000   0.06093   0.06079   7.11659
   R23        6.07784   0.00000   0.00000   0.09846   0.09847   6.17631
   R24        2.34930   0.00000   0.00000  -0.00006  -0.00006   2.34925
   R25        2.57226   0.00000   0.00000  -0.00007  -0.00007   2.57219
   R26        2.09477   0.00000   0.00000   0.00007   0.00007   2.09484
   R27        2.76525   0.00000   0.00000  -0.00005  -0.00005   2.76521
   R28        2.76797   0.00000   0.00000   0.00007   0.00007   2.76804
   R29        2.07674   0.00000   0.00000   0.00003   0.00003   2.07677
   R30        2.08280   0.00000   0.00000  -0.00004  -0.00004   2.08277
   R31        2.08251   0.00000   0.00000   0.00003   0.00003   2.08254
   R32        2.08118   0.00000   0.00000  -0.00016  -0.00017   2.08101
   R33        2.07442   0.00000   0.00000   0.00005   0.00005   2.07447
   R34        2.08337   0.00000   0.00000   0.00003   0.00003   2.08340
   R35        2.34859   0.00000   0.00000  -0.00001  -0.00001   2.34858
   R36        2.57152   0.00000   0.00000   0.00003   0.00004   2.57156
   R37        2.09433   0.00000   0.00000   0.00000   0.00000   2.09433
   R38        2.76968   0.00000   0.00000  -0.00021  -0.00020   2.76949
   R39        2.76536   0.00000   0.00000  -0.00011  -0.00009   2.76526
   R40        2.08097   0.00000   0.00000   0.00005   0.00007   2.08104
   R41        2.08407   0.00000   0.00000   0.00002   0.00002   2.08409
   R42        2.07371   0.00000   0.00000  -0.00012  -0.00012   2.07359
   R43        2.08326   0.00000   0.00000   0.00000   0.00000   2.08326
   R44        2.08380   0.00000   0.00000   0.00006   0.00007   2.08388
   R45        2.07670   0.00000   0.00000  -0.00001  -0.00001   2.07669
   R46        2.34804   0.00000   0.00000  -0.00002  -0.00002   2.34802
   R47        2.57219   0.00000   0.00000   0.00002   0.00002   2.57221
   R48        2.09357   0.00000   0.00000  -0.00001  -0.00001   2.09356
   R49        2.76617   0.00000   0.00000   0.00009   0.00010   2.76627
   R50        2.76854   0.00000   0.00000  -0.00020  -0.00021   2.76833
   R51        2.08446   0.00000   0.00000   0.00000   0.00000   2.08446
   R52        2.08302   0.00000   0.00000   0.00002  -0.00003   2.08300
   R53        2.07646   0.00000   0.00000  -0.00002  -0.00002   2.07644
   R54        2.08522   0.00000   0.00000   0.00006   0.00006   2.08528
   R55        2.07367   0.00000   0.00000   0.00002   0.00002   2.07369
   R56        2.07743   0.00000   0.00000   0.00014   0.00014   2.07757
   R57        2.34941  -0.00001   0.00000   0.00027   0.00027   2.34968
   R58        2.57235   0.00000   0.00000  -0.00030  -0.00026   2.57209
   R59        2.09441   0.00000   0.00000  -0.00008  -0.00008   2.09433
   R60        2.77027   0.00000   0.00000  -0.00022  -0.00020   2.77007
   R61        2.76532   0.00000   0.00000  -0.00015   0.00003   2.76534
   R62        2.07425   0.00000   0.00000   0.00001   0.00001   2.07426
   R63        2.08315   0.00000   0.00000   0.00004   0.00004   2.08318
   R64        2.08064   0.00000   0.00000  -0.00015  -0.00017   2.08048
   R65        2.07612   0.00000   0.00000   0.00013   0.00013   2.07626
   R66        2.08572   0.00000   0.00000  -0.00059  -0.00045   2.08526
   R67        2.08216   0.00000   0.00000   0.00033   0.00033   2.08249
    A1        0.68629   0.00000   0.00000  -0.00003  -0.00003   0.68627
    A2        0.96385   0.00000   0.00000   0.00010   0.00010   0.96395
    A3        0.72679   0.00000   0.00000  -0.00045  -0.00045   0.72633
    A4        1.02048   0.00000   0.00000  -0.00064  -0.00065   1.01983
    A5        2.36783   0.00000   0.00000  -0.00219  -0.00220   2.36563
    A6        2.03539   0.00000   0.00000  -0.00171  -0.00172   2.03367
    A7        1.96783   0.00000   0.00000  -0.00043  -0.00044   1.96739
    A8        1.66754   0.00000   0.00000   0.00066   0.00066   1.66820
    A9        1.67298   0.00000   0.00000  -0.00224  -0.00225   1.67073
   A10        1.38803   0.00000   0.00000  -0.00210  -0.00211   1.38592
   A11        1.74207   0.00000   0.00000  -0.00101  -0.00100   1.74107
   A12        2.04926   0.00000   0.00000  -0.00152  -0.00151   2.04776
   A13        1.95713   0.00000   0.00000  -0.00203  -0.00201   1.95511
   A14        2.05288   0.00000   0.00000  -0.00240  -0.00240   2.05048
   A15        2.44090   0.00000   0.00000  -0.00141  -0.00140   2.43950
   A16        1.61712   0.00000   0.00000   0.01277   0.01279   1.62991
   A17        1.81598   0.00000   0.00000   0.01198   0.01200   1.82798
   A18        1.58960   0.00000   0.00000   0.01003   0.01004   1.59964
   A19        1.72403   0.00000   0.00000   0.00894   0.00894   1.73297
   A20        2.21572   0.00000   0.00000   0.00728   0.00728   2.22300
   A21        2.43463   0.00000   0.00000   0.00523   0.00519   2.43982
   A22        0.65159   0.00000   0.00000   0.00015   0.00015   0.65174
   A23        0.66224   0.00000   0.00000  -0.00043  -0.00043   0.66181
   A24        2.44907   0.00000   0.00000  -0.00283  -0.00284   2.44623
   A25        2.25665   0.00000   0.00000  -0.00230  -0.00231   2.25434
   A26        2.32487   0.00000   0.00000  -0.00109  -0.00111   2.32376
   A27        2.04638   0.00000   0.00000   0.00037   0.00036   2.04674
   A28        1.84954   0.00000   0.00000  -0.00244  -0.00245   1.84709
   A29        1.60154   0.00000   0.00000  -0.00204  -0.00206   1.59949
   A30        1.34597   0.00000   0.00000  -0.00070  -0.00068   1.34529
   A31        1.65072   0.00000   0.00000  -0.00122  -0.00120   1.64952
   A32        1.60927   0.00000   0.00000  -0.00178  -0.00177   1.60750
   A33        1.77248   0.00000   0.00000  -0.00222  -0.00221   1.77027
   A34        2.04290   0.00000   0.00000  -0.00118  -0.00116   2.04174
   A35        1.88141   0.00000   0.00000   0.01163   0.01165   1.89306
   A36        1.94595   0.00000   0.00000   0.01016   0.01017   1.95612
   A37        1.59341   0.00000   0.00000   0.00864   0.00865   1.60206
   A38        1.60523   0.00000   0.00000   0.00745   0.00744   1.61268
   A39        2.29466   0.00000   0.00000   0.00480   0.00479   2.29944
   A40        2.38621   0.00000   0.00000   0.00159   0.00156   2.38778
   A41        0.69475   0.00000   0.00000   0.00030   0.00030   0.69505
   A42        0.75790   0.00000   0.00000  -0.00054  -0.00053   0.75737
   A43        2.72970   0.00000   0.00000  -0.00249  -0.00250   2.72720
   A44        2.64695   0.00000   0.00000  -0.00217  -0.00218   2.64477
   A45        2.64453   0.00000   0.00000  -0.00015  -0.00016   2.64437
   A46        2.33096   0.00000   0.00000   0.00060   0.00060   2.33156
   A47        2.23793   0.00000   0.00000  -0.00227  -0.00228   2.23565
   A48        1.99379   0.00000   0.00000  -0.00187  -0.00188   1.99191
   A49        1.11103   0.00000   0.00000  -0.00099  -0.00098   1.11005
   A50        1.47496   0.00000   0.00000  -0.00130  -0.00129   1.47367
   A51        1.58908   0.00000   0.00000  -0.00175  -0.00174   1.58734
   A52        1.83483   0.00000   0.00000  -0.00206  -0.00205   1.83277
   A53        1.79048   0.00000   0.00000  -0.00098  -0.00097   1.78951
   A54        1.73338   0.00000   0.00000   0.00908   0.00911   1.74249
   A55        1.66444   0.00000   0.00000   0.00793   0.00794   1.67238
   A56        1.26121   0.00000   0.00000   0.00727   0.00728   1.26849
   A57        1.22366   0.00000   0.00000   0.00676   0.00675   1.23042
   A58        1.95175   0.00000   0.00000   0.00320   0.00320   1.95495
   A59        1.99979   0.00000   0.00000   0.00084   0.00083   2.00062
   A60        0.85007   0.00000   0.00000   0.00014   0.00015   0.85021
   A61        0.79459   0.00000   0.00000  -0.00086  -0.00085   0.79374
   A62        2.66139   0.00000   0.00000  -0.00177  -0.00178   2.65961
   A63        2.83475   0.00000   0.00000  -0.00254  -0.00255   2.83220
   A64        2.57983   0.00000   0.00000   0.00091   0.00091   2.58074
   A65        2.44748   0.00000   0.00000  -0.00240  -0.00241   2.44507
   A66        2.23982   0.00000   0.00000  -0.00187  -0.00189   2.23793
   A67        0.87565   0.00000   0.00000  -0.00135  -0.00134   0.87431
   A68        1.25385   0.00000   0.00000  -0.00157  -0.00156   1.25230
   A69        1.44885   0.00000   0.00000  -0.00198  -0.00197   1.44688
   A70        1.72788   0.00000   0.00000  -0.00220  -0.00219   1.72569
   A71        1.52846   0.00000   0.00000  -0.00110  -0.00108   1.52738
   A72        1.74050   0.00000   0.00000   0.00675   0.00677   1.74727
   A73        1.56667   0.00000   0.00000   0.00575   0.00576   1.57244
   A74        1.13592   0.00000   0.00000   0.00559   0.00560   1.14152
   A75        1.02262   0.00000   0.00000   0.00557   0.00557   1.02818
   A76        1.77760   0.00000   0.00000   0.00182   0.00183   1.77942
   A77        1.77003   0.00000   0.00000  -0.00014  -0.00014   1.76988
   A78        2.05908   0.00000   0.00000  -0.00293  -0.00294   2.05614
   A79        1.99234   0.00000   0.00000  -0.00265  -0.00266   1.98968
   A80        2.25423   0.00000   0.00000  -0.00224  -0.00226   2.25197
   A81        2.09059   0.00000   0.00000  -0.00014  -0.00015   2.09044
   A82        1.59802   0.00000   0.00000  -0.00254  -0.00255   1.59546
   A83        1.42322   0.00000   0.00000  -0.00190  -0.00192   1.42130
   A84        1.19010   0.00000   0.00000  -0.00009  -0.00007   1.19003
   A85        1.38645   0.00000   0.00000  -0.00086  -0.00085   1.38561
   A86        1.23042   0.00000   0.00000  -0.00157  -0.00155   1.22887
   A87        1.35197   0.00000   0.00000  -0.00215  -0.00214   1.34983
   A88        1.81250   0.00000   0.00000  -0.00119  -0.00118   1.81132
   A89        2.31133   0.00000   0.00000   0.01188   0.01189   2.32322
   A90        2.35341   0.00000   0.00000   0.00902   0.00901   2.36243
   A91        1.95519   0.00000   0.00000   0.00735   0.00735   1.96254
   A92        1.87178   0.00000   0.00000   0.00543   0.00542   1.87719
   A93        2.62766   0.00000   0.00000   0.00195   0.00192   2.62958
   A94        2.56154   0.00000   0.00000  -0.00250  -0.00250   2.55905
   A95        1.97242   0.00000   0.00000  -0.00190  -0.00191   1.97051
   A96        2.04424   0.00000   0.00000  -0.00164  -0.00166   2.04258
   A97        2.41178   0.00000   0.00000  -0.00170  -0.00171   2.41007
   A98        2.34213   0.00000   0.00000   0.00035   0.00033   2.34245
   A99        1.70536   0.00000   0.00000  -0.00142  -0.00144   1.70391
   A100       1.60308   0.00000   0.00000  -0.00078  -0.00080   1.60227
   A101       0.88469   0.00000   0.00000  -0.00035  -0.00033   0.88437
   A102       1.06646   0.00000   0.00000  -0.00095  -0.00093   1.06553
   A103       0.94819   0.00000   0.00000  -0.00137  -0.00135   0.94684
   A104       1.12278   0.00000   0.00000  -0.00169  -0.00169   1.12109
   A105       1.49217   0.00000   0.00000  -0.00128  -0.00126   1.49091
   A106       2.49051   0.00000   0.00000   0.00890   0.00889   2.49940
   A107       2.35708   0.00000   0.00000   0.00396   0.00393   2.36101
   A108       1.92345   0.00000   0.00000   0.00387   0.00386   1.92731
   A109       1.74547   0.00000   0.00000   0.00221   0.00220   1.74767
   A110       2.46141   0.00000   0.00000  -0.00238  -0.00238   2.45904
   A111       2.29630   0.00000   0.00000  -0.00459  -0.00456   2.29175
   A112       0.71526   0.00000   0.00000  -0.00009  -0.00009   0.71517
   A113       1.00720   0.00000   0.00000   0.00000   0.00000   1.00720
   A114       0.69730   0.00000   0.00000   0.00019   0.00020   0.69750
   A115       0.98616   0.00000   0.00000   0.00022   0.00022   0.98639
   A116       1.81893   0.00000   0.00000   0.00053   0.00052   1.81945
   A117       1.43800   0.00000   0.00000   0.00068   0.00066   1.43866
   A118       1.21255   0.00000   0.00000   0.00020   0.00019   1.21273
   A119       0.93663   0.00000   0.00000   0.00020   0.00019   0.93683
   A120       1.25153   0.00000   0.00000   0.00103   0.00102   1.25255
   A121       1.81801   0.00000   0.00000  -0.00635  -0.00637   1.81164
   A122       1.87052   0.00000   0.00000  -0.00624  -0.00626   1.86425
   A123       2.24053   0.00000   0.00000  -0.00591  -0.00592   2.23461
   A124       2.18303   0.00000   0.00000  -0.00611  -0.00612   2.17692
   A125       1.53945   0.00000   0.00000  -0.00195  -0.00195   1.53750
   A126       1.41815   0.00000   0.00000  -0.00043  -0.00041   1.41774
   A127       0.65719   0.00000   0.00000   0.00009   0.00009   0.65728
   A128       0.66202   0.00000   0.00000  -0.00002  -0.00001   0.66201
   A129       2.18166   0.00000   0.00000   0.00068   0.00066   2.18233
   A130       1.80817   0.00000   0.00000   0.00088   0.00087   1.80904
   A131       1.51848   0.00000   0.00000   0.00048   0.00047   1.51895
   A132       1.22362   0.00000   0.00000   0.00053   0.00052   1.22415
   A133       1.64587   0.00000   0.00000   0.00120   0.00119   1.64706
   A134       1.67706   0.00000   0.00000  -0.00307  -0.00309   1.67397
   A135       1.88039   0.00000   0.00000  -0.00294  -0.00295   1.87744
   A136       2.31220   0.00000   0.00000  -0.00293  -0.00294   2.30926
   A137       2.40834   0.00000   0.00000  -0.00400  -0.00401   2.40433
   A138       1.66158   0.00000   0.00000   0.00016   0.00015   1.66173
   A139       1.63636   0.00000   0.00000   0.00141   0.00141   1.63777
   A140       0.70737   0.00000   0.00000  -0.00034  -0.00033   0.70704
   A141       0.83267   0.00000   0.00000  -0.00049  -0.00049   0.83219
   A142       2.51336   0.00000   0.00000   0.00055   0.00054   2.51389
   A143       2.13543   0.00000   0.00000   0.00060   0.00059   2.13602
   A144       1.92072   0.00000   0.00000   0.00012   0.00010   1.92082
   A145       1.63267   0.00000   0.00000   0.00015   0.00014   1.63281
   A146       1.84798   0.00000   0.00000   0.00105   0.00105   1.84903
   A147       1.25332   0.00000   0.00000  -0.00201  -0.00201   1.25131
   A148       1.50309   0.00000   0.00000  -0.00068  -0.00068   1.50241
   A149       1.93334   0.00000   0.00000  -0.00086  -0.00087   1.93247
   A150       2.12414   0.00000   0.00000  -0.00098  -0.00098   2.12316
   A151       1.38179   0.00000   0.00000   0.00228   0.00227   1.38405
   A152       1.45763   0.00000   0.00000   0.00354   0.00352   1.46115
   A153       0.76716   0.00000   0.00000   0.00065   0.00065   0.76781
   A154       0.76402   0.00000   0.00000   0.00063   0.00064   0.76466
   A155       2.82481   0.00000   0.00000   0.00043   0.00042   2.82523
   A156       2.44346   0.00000   0.00000   0.00057   0.00056   2.44402
   A157       2.17297   0.00000   0.00000   0.00070   0.00069   2.17367
   A158       1.87696   0.00000   0.00000   0.00077   0.00077   1.87773
   A159       2.16089   0.00000   0.00000   0.00044   0.00043   2.16131
   A160       1.13951   0.00000   0.00000   0.00014   0.00014   1.13965
   A161       1.47526   0.00000   0.00000   0.00104   0.00104   1.47631
   A162       1.86689   0.00000   0.00000   0.00045   0.00044   1.86733
   A163       2.13472   0.00000   0.00000   0.00040   0.00039   2.13511
   A164       1.47811   0.00000   0.00000   0.00245   0.00244   1.48055
   A165       1.62787   0.00000   0.00000   0.00328   0.00326   1.63113
   A166       2.16545   0.00000   0.00000   0.00053   0.00052   2.16597
   A167       1.86390   0.00000   0.00000   0.00093   0.00093   1.86483
   A168       1.47837   0.00000   0.00000   0.00066   0.00065   1.47903
   A169       1.19806   0.00000   0.00000   0.00075   0.00075   1.19881
   A170       1.86466   0.00000   0.00000   0.00119   0.00118   1.86584
   A171       1.90571   0.00000   0.00000   0.00044   0.00041   1.90612
   A172       2.20732   0.00000   0.00000  -0.00036  -0.00039   2.20692
   A173       2.62775   0.00000   0.00000   0.00018   0.00014   2.62789
   A174       2.05727   0.00000   0.00000   0.00082   0.00081   2.05808
   A175       2.04545   0.00000   0.00000   0.00138   0.00138   2.04683
   A176       2.27267   0.00000   0.00000   0.00064   0.00063   2.27330
   A177       2.05014   0.00000   0.00000   0.00114   0.00113   2.05128
   A178       1.63802   0.00000   0.00000   0.00099   0.00098   1.63900
   A179       1.38767   0.00000   0.00000   0.00106   0.00106   1.38873
   A180       2.13100   0.00000   0.00000   0.00130   0.00130   2.13230
   A181       1.85949   0.00000   0.00000   0.00313   0.00311   1.86260
   A182       2.23121   0.00000   0.00000   0.00266   0.00264   2.23385
   A183       2.56417   0.00000   0.00000   0.00370   0.00368   2.56785
   A184       2.21143   0.00000   0.00000   0.00213   0.00212   2.21355
   A185       2.27224   0.00000   0.00000   0.00231   0.00230   2.27454
   A186       0.69357   0.00000   0.00000  -0.00002  -0.00002   0.69355
   A187       0.98568   0.00000   0.00000  -0.00005  -0.00005   0.98563
   A188       0.69902   0.00000   0.00000  -0.00036  -0.00036   0.69866
   A189       2.14918   0.00000   0.00000  -0.00428  -0.00429   2.14489
   A190       1.76158   0.00000   0.00000  -0.00474  -0.00475   1.75684
   A191       1.43951   0.00000   0.00000  -0.00350  -0.00349   1.43602
   A192       1.13107   0.00000   0.00000  -0.00373  -0.00372   1.12735
   A193       1.63475   0.00000   0.00000  -0.00459  -0.00458   1.63017
   A194       1.41904   0.00000   0.00000  -0.00488  -0.00485   1.41419
   A195       0.66861   0.00000   0.00000   0.00014   0.00013   0.66874
   A196       2.26278   0.00000   0.00000  -0.00823  -0.00824   2.25454
   A197       1.86395   0.00000   0.00000  -0.00780  -0.00781   1.85614
   A198       1.65965   0.00000   0.00000  -0.00581  -0.00581   1.65384
   A199       1.33882   0.00000   0.00000  -0.00601  -0.00601   1.33280
   A200       1.60440   0.00000   0.00000  -0.00581  -0.00580   1.59859
   A201       1.33665   0.00000   0.00000  -0.00562  -0.00559   1.33106
   A202       0.71275   0.00000   0.00000  -0.00034  -0.00034   0.71241
   A203       2.62777   0.00000   0.00000  -0.00998  -0.01000   2.61777
   A204       2.25276   0.00000   0.00000  -0.00876  -0.00878   2.24398
   A205       2.07578   0.00000   0.00000  -0.00556  -0.00557   2.07021
   A206       1.75470   0.00000   0.00000  -0.00577  -0.00577   1.74893
   A207       1.93268   0.00000   0.00000  -0.00614  -0.00614   1.92655
   A208       1.65084   0.00000   0.00000  -0.00564  -0.00561   1.64523
   A209       0.83187   0.00000   0.00000  -0.00008  -0.00009   0.83178
   A210       2.61261   0.00000   0.00000  -0.01028  -0.01031   2.60230
   A211       2.34751   0.00000   0.00000  -0.00986  -0.00989   2.33763
   A212       2.30121   0.00000   0.00000  -0.00681  -0.00683   2.29438
   A213       1.98823   0.00000   0.00000  -0.00666  -0.00667   1.98156
   A214       1.96489   0.00000   0.00000  -0.00579  -0.00580   1.95909
   A215       1.69139   0.00000   0.00000  -0.00501  -0.00498   1.68641
   A216       1.91549   0.00000   0.00000  -0.00948  -0.00949   1.90601
   A217       1.54837   0.00000   0.00000  -0.00901  -0.00902   1.53935
   A218       1.48541   0.00000   0.00000  -0.00752  -0.00752   1.47789
   A219       1.19538   0.00000   0.00000  -0.00756  -0.00756   1.18782
   A220       1.22312   0.00000   0.00000  -0.00573  -0.00572   1.21740
   A221       0.94339   0.00000   0.00000  -0.00532  -0.00528   0.93811
   A222       0.72858   0.00000   0.00000   0.00013   0.00013   0.72871
   A223       1.02095   0.00000   0.00000  -0.00027  -0.00028   1.02067
   A224       0.69586   0.00000   0.00000  -0.00407  -0.00408   0.69178
   A225       0.97806   0.00000   0.00000  -0.00463  -0.00467   0.97340
   A226       0.65949   0.00000   0.00000  -0.00065  -0.00066   0.65883
   A227       0.65917   0.00000   0.00000  -0.00517  -0.00522   0.65395
   A228       0.70161   0.00000   0.00000  -0.00393  -0.00394   0.69767
   A229       0.84904   0.00000   0.00000  -0.00532  -0.00535   0.84369
   A230       0.75654   0.00000   0.00000  -0.00370  -0.00369   0.75285
   A231       0.78134   0.00000   0.00000  -0.00575  -0.00575   0.77559
   A232       1.60166   0.00000   0.00000   0.00240   0.00240   1.60406
   A233       1.84871   0.00000   0.00000  -0.00054  -0.00054   1.84817
   A234       2.19119   0.00000   0.00000  -0.00016  -0.00016   2.19103
   A235       2.12915   0.00000   0.00000   0.00007   0.00007   2.12922
   A236       1.96245   0.00000   0.00000   0.00009   0.00009   1.96254
   A237       2.12164   0.00000   0.00000   0.00011   0.00010   2.12174
   A238       2.12667   0.00000   0.00000  -0.00054  -0.00055   2.12612
   A239       2.03314   0.00000   0.00000   0.00055   0.00057   2.03370
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   A241       2.53369   0.00000   0.00000   0.00129   0.00129   2.53498
   A242       1.91310   0.00000   0.00000  -0.00015  -0.00015   1.91295
   A243       1.91856   0.00000   0.00000   0.00010   0.00010   1.91866
   A244       1.91720   0.00000   0.00000   0.00017   0.00017   1.91736
   A245       1.90878   0.00000   0.00000  -0.00013  -0.00013   1.90865
   A246       1.90833   0.00000   0.00000   0.00008   0.00008   1.90840
   A247       1.89774   0.00000   0.00000  -0.00006  -0.00006   1.89768
   A248       1.32300  -0.00001   0.00000  -0.00416  -0.00415   1.31885
   A249       1.90765   0.00000   0.00000  -0.00060  -0.00061   1.90704
   A250       1.90919   0.00000   0.00000  -0.00023  -0.00023   1.90896
   A251       1.92633   0.00000   0.00000   0.00048   0.00048   1.92681
   A252       1.91021   0.00000   0.00000   0.00006   0.00006   1.91028
   A253       1.89580   0.00000   0.00000   0.00036   0.00036   1.89616
   A254       1.91454   0.00000   0.00000  -0.00007  -0.00007   1.91447
   A255       1.72402   0.00000   0.00000  -0.00010  -0.00010   1.72393
   A256       1.76369   0.00000   0.00000  -0.00135  -0.00135   1.76234
   A257       2.19057   0.00000   0.00000   0.00015   0.00015   2.19072
   A258       2.13001   0.00000   0.00000  -0.00006  -0.00006   2.12995
   A259       1.96238   0.00000   0.00000  -0.00010  -0.00010   1.96228
   A260       2.12362   0.00000   0.00000   0.00031   0.00031   2.12393
   A261       2.12315   0.00000   0.00000   0.00012   0.00012   2.12327
   A262       2.03595   0.00000   0.00000  -0.00045  -0.00045   2.03550
   A263       1.34429   0.00000   0.00000   0.00572   0.00572   1.35001
   A264       1.90005   0.00000   0.00000   0.00037   0.00036   1.90041
   A265       1.93095   0.00000   0.00000  -0.00028  -0.00027   1.93068
   A266       1.90882   0.00000   0.00000   0.00002   0.00002   1.90884
   A267       1.89692   0.00000   0.00000  -0.00018  -0.00018   1.89673
   A268       1.91464   0.00000   0.00000   0.00023   0.00023   1.91488
   A269       1.91235   0.00000   0.00000  -0.00015  -0.00015   1.91220
   A270       2.68016   0.00000   0.00000   0.00064   0.00064   2.68080
   A271       1.68340   0.00000   0.00000  -0.00077  -0.00077   1.68263
   A272       1.92567   0.00000   0.00000  -0.00008  -0.00008   1.92559
   A273       1.91237   0.00000   0.00000   0.00002   0.00003   1.91240
   A274       1.91441   0.00000   0.00000   0.00011   0.00011   1.91452
   A275       1.89361   0.00000   0.00000  -0.00009  -0.00009   1.89352
   A276       1.91062   0.00000   0.00000   0.00004   0.00003   1.91066
   A277       1.90694   0.00000   0.00000   0.00000   0.00000   1.90693
   A278       1.81840   0.00000   0.00000   0.00082   0.00082   1.81922
   A279       1.74378   0.00000   0.00000  -0.00055  -0.00055   1.74324
   A280       2.18976   0.00000   0.00000   0.00009   0.00009   2.18985
   A281       2.13052   0.00000   0.00000  -0.00005  -0.00005   2.13047
   A282       1.96281   0.00000   0.00000  -0.00004  -0.00003   1.96278
   A283       2.12399   0.00000   0.00000   0.00014   0.00015   2.12414
   A284       2.11491   0.00000   0.00000   0.00023   0.00023   2.11514
   A285       2.04189   0.00000   0.00000  -0.00045  -0.00046   2.04143
   A286       2.71945   0.00000   0.00000  -0.00105  -0.00105   2.71840
   A287       1.63765   0.00000   0.00000   0.00089   0.00089   1.63854
   A288       1.92702   0.00000   0.00000  -0.00022  -0.00022   1.92680
   A289       1.91471   0.00000   0.00000   0.00031   0.00029   1.91500
   A290       1.91169   0.00000   0.00000   0.00014   0.00014   1.91184
   A291       1.89046   0.00000   0.00000  -0.00009  -0.00008   1.89038
   A292       1.91300   0.00000   0.00000  -0.00004  -0.00004   1.91297
   A293       1.90673   0.00000   0.00000  -0.00010  -0.00010   1.90663
   A294       1.35479   0.00000   0.00000   0.00732   0.00731   1.36210
   A295       1.15193   0.00000   0.00000  -0.00459  -0.00459   1.14734
   A296       1.93387   0.00000   0.00000  -0.00042  -0.00042   1.93345
   A297       1.90769   0.00000   0.00000   0.00058   0.00058   1.90826
   A298       1.90139   0.00000   0.00000   0.00020   0.00018   1.90157
   A299       1.90882   0.00000   0.00000  -0.00005  -0.00005   1.90877
   A300       1.89843   0.00000   0.00000  -0.00050  -0.00049   1.89793
   A301       1.91355   0.00000   0.00000   0.00019   0.00020   1.91376
   A302       1.61244   0.00000   0.00000  -0.01289  -0.01289   1.59955
   A303       1.83119   0.00000   0.00000   0.01060   0.01061   1.84180
   A304       2.18854   0.00000   0.00000  -0.00001  -0.00001   2.18853
   A305       2.12994   0.00000   0.00000  -0.00011  -0.00005   2.12989
   A306       1.96434   0.00000   0.00000   0.00011   0.00004   1.96439
   A307       2.12549   0.00000   0.00000  -0.00011  -0.00017   2.12531
   A308       2.12357   0.00000   0.00000   0.00077   0.00073   2.12430
   A309       2.02979   0.00000   0.00000   0.00065   0.00066   2.03045
   A310       1.30277   0.00000   0.00000  -0.00704  -0.00701   1.29576
   A311       3.04159   0.00000   0.00000   0.00426   0.00418   3.04577
   A312       1.91189   0.00000   0.00000  -0.00025  -0.00019   1.91170
   A313       1.92769   0.00000   0.00000  -0.00046  -0.00068   1.92701
   A314       1.90274   0.00000   0.00000   0.00004   0.00002   1.90275
   A315       1.91257   0.00000   0.00000   0.00039   0.00047   1.91304
   A316       1.91225   0.00000   0.00000  -0.00027  -0.00026   1.91198
   A317       1.89656   0.00000   0.00000   0.00055   0.00065   1.89722
   A318       1.79751   0.00000   0.00000  -0.00286  -0.00287   1.79464
   A319       1.91599   0.00000   0.00000  -0.00042  -0.00053   1.91546
   A320       1.91445   0.00000   0.00000   0.00166   0.00174   1.91619
   A321       1.91957   0.00000   0.00000  -0.00012  -0.00010   1.91947
   A322       1.90774   0.00000   0.00000  -0.00028  -0.00026   1.90748
   A323       1.90984   0.00000   0.00000  -0.00064  -0.00062   1.90921
   A324       1.89608   0.00000   0.00000  -0.00020  -0.00022   1.89586
   A325       2.93168   0.00000   0.00000  -0.00033  -0.00034   2.93134
   A326       3.39701   0.00000   0.00000   0.00671   0.00669   3.40371
   A327       3.11207   0.00000   0.00000   0.00685   0.00683   3.11890
   A328       3.23754   0.00000   0.00000  -0.00423  -0.00423   3.23332
   A329       3.25664   0.00000   0.00000   0.00557   0.00557   3.26221
   A330       3.26360   0.00000   0.00000   0.00726   0.00726   3.27086
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   A338       3.05751   0.00000   0.00000   0.01988   0.01990   3.07741
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    D2       -1.35735   0.00000   0.00000   0.00030   0.00030  -1.35705
    D3        2.78659   0.00000   0.00000  -0.00119  -0.00119   2.78540
    D4       -1.33142   0.00000   0.00000  -0.00036  -0.00036  -1.33177
    D5        1.65826   0.00000   0.00000  -0.00141  -0.00142   1.65684
    D6       -2.45975   0.00000   0.00000  -0.00058  -0.00059  -2.46034
    D7        1.82793   0.00000   0.00000  -0.00036  -0.00037   1.82755
    D8       -2.29008   0.00000   0.00000   0.00047   0.00046  -2.28962
    D9        0.22884   0.00000   0.00000   0.00195   0.00195   0.23079
   D10        2.39403   0.00000   0.00000   0.00278   0.00278   2.39680
   D11       -0.03799   0.00000   0.00000   0.00102   0.00102  -0.03697
   D12        2.12719   0.00000   0.00000   0.00185   0.00185   2.12905
   D13       -0.50560   0.00000   0.00000   0.00143   0.00144  -0.50416
   D14        1.65958   0.00000   0.00000   0.00226   0.00227   1.66185
   D15       -0.60947   0.00000   0.00000  -0.00063  -0.00062  -0.61010
   D16        1.55571   0.00000   0.00000   0.00020   0.00021   1.55591
   D17        0.16168   0.00000   0.00000  -0.00002  -0.00002   0.16166
   D18        2.32686   0.00000   0.00000   0.00081   0.00081   2.32767
   D19        0.10463   0.00000   0.00000  -0.00096  -0.00096   0.10367
   D20        2.26981   0.00000   0.00000  -0.00013  -0.00013   2.26968
   D21        2.36262   0.00000   0.00000  -0.00037  -0.00037   2.36225
   D22       -1.75539   0.00000   0.00000   0.00046   0.00046  -1.75492
   D23        2.12267   0.00000   0.00000  -0.00077  -0.00077   2.12190
   D24       -1.99533   0.00000   0.00000   0.00006   0.00006  -1.99527
   D25        1.67400   0.00000   0.00000  -0.00036  -0.00037   1.67363
   D26       -2.44401   0.00000   0.00000   0.00047   0.00046  -2.44354
   D27        1.36473   0.00000   0.00000  -0.00012  -0.00011   1.36462
   D28       -2.75327   0.00000   0.00000   0.00071   0.00072  -2.75255
   D29        2.34285   0.00000   0.00000  -0.00260  -0.00260   2.34025
   D30       -1.77516   0.00000   0.00000  -0.00177  -0.00177  -1.77692
   D31       -1.75127   0.00000   0.00000  -0.00187  -0.00184  -1.75311
   D32        0.41391   0.00000   0.00000  -0.00104  -0.00101   0.41290
   D33       -2.10570   0.00000   0.00000  -0.00281  -0.00281  -2.10851
   D34        0.05949   0.00000   0.00000  -0.00198  -0.00198   0.05750
   D35       -2.47976   0.00000   0.00000  -0.00219  -0.00220  -2.48196
   D36       -0.31458   0.00000   0.00000  -0.00136  -0.00137  -0.31595
   D37       -2.77269   0.00000   0.00000  -0.00318  -0.00321  -2.77590
   D38       -0.60751   0.00000   0.00000  -0.00235  -0.00238  -0.60989
   D39       -2.13690   0.00000   0.00000  -0.00466  -0.00466  -2.14156
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   D270       0.87245   0.00000   0.00000   0.00209   0.00209   0.87454
   D271      -2.51496   0.00000   0.00000   0.00048   0.00048  -2.51448
   D272       0.81973   0.00000   0.00000  -0.00637  -0.00631   0.81341
   D273      -2.56769   0.00000   0.00000  -0.00798  -0.00793  -2.57561
   D274       1.05417   0.00000   0.00000  -0.00490  -0.00489   1.04928
   D275      -2.33324   0.00000   0.00000  -0.00651  -0.00650  -2.33974
   D276       1.53476   0.00000   0.00000  -0.00559  -0.00559   1.52918
   D277      -1.85265   0.00000   0.00000  -0.00720  -0.00720  -1.85985
   D278       1.53969   0.00000   0.00000  -0.00403  -0.00403   1.53566
   D279      -1.84772   0.00000   0.00000  -0.00564  -0.00564  -1.85336
   D280       0.77342   0.00000   0.00000   0.00121   0.00119   0.77461
   D281      -2.61399   0.00000   0.00000  -0.00040  -0.00042  -2.61441
   D282       0.75775   0.00000   0.00000   0.00244   0.00243   0.76018
   D283      -2.62966   0.00000   0.00000   0.00083   0.00081  -2.62885
   D284       1.55645   0.00000   0.00000   0.00056   0.00056   1.55701
   D285      -2.66173   0.00000   0.00000  -0.00153  -0.00153  -2.66326
   D286       1.61050   0.00000   0.00000  -0.00036  -0.00035   1.61015
   D287      -2.60768   0.00000   0.00000  -0.00245  -0.00244  -2.61012
   D288       1.28986   0.00000   0.00000  -0.00065  -0.00064   1.28921
   D289      -2.92832   0.00000   0.00000  -0.00274  -0.00274  -2.93106
   D290       1.19573   0.00000   0.00000  -0.00061  -0.00060   1.19512
   D291      -3.02245   0.00000   0.00000  -0.00270  -0.00270  -3.02515
   D292       2.00401   0.00000   0.00000  -0.00053  -0.00052   2.00349
   D293      -2.21417   0.00000   0.00000  -0.00262  -0.00261  -2.21678
   D294       1.99107   0.00000   0.00000  -0.00142  -0.00140   1.98966
   D295      -2.22711   0.00000   0.00000  -0.00351  -0.00350  -2.23061
   D296      -2.26679   0.00000   0.00000  -0.00322  -0.00322  -2.27001
   D297      -0.20179   0.00000   0.00000  -0.00531  -0.00531  -0.20710
   D298      -2.25150   0.00000   0.00000  -0.00318  -0.00318  -2.25468
   D299      -0.18649   0.00000   0.00000  -0.00527  -0.00528  -0.19177
   D300      -1.86588   0.00000   0.00000  -0.00343  -0.00343  -1.86931
   D301       0.19913   0.00000   0.00000  -0.00553  -0.00553   0.19360
   D302      -1.81247   0.00000   0.00000  -0.00188  -0.00187  -1.81434
   D303       0.25254   0.00000   0.00000  -0.00397  -0.00397   0.24857
   D304      -2.60430   0.00000   0.00000  -0.00333  -0.00334  -2.60764
   D305      -0.53930   0.00000   0.00000  -0.00543  -0.00543  -0.54473
   D306      -2.73253   0.00000   0.00000  -0.00325  -0.00326  -2.73579
   D307      -0.66752   0.00000   0.00000  -0.00534  -0.00535  -0.67287
   D308       1.52618   0.00000   0.00000  -0.00288  -0.00288   1.52330
   D309      -2.69200   0.00000   0.00000  -0.00497  -0.00497  -2.69697
   D310       2.62890   0.00000   0.00000  -0.00242  -0.00240   2.62649
   D311      -1.58928   0.00000   0.00000  -0.00451  -0.00450  -1.59378
   D312       3.01963   0.00000   0.00000  -0.00258  -0.00257   3.01706
   D313      -1.19855   0.00000   0.00000  -0.00467  -0.00467  -1.20321
   D314      -0.54022   0.00000   0.00000  -0.00723  -0.00724  -0.54746
   D315       1.52479   0.00000   0.00000  -0.00932  -0.00934   1.51545
   D316      -0.37189   0.00000   0.00000  -0.00677  -0.00679  -0.37868
   D317       1.69312   0.00000   0.00000  -0.00886  -0.00888   1.68423
   D318       0.05792   0.00000   0.00000  -0.00636  -0.00636   0.05156
   D319       2.12293   0.00000   0.00000  -0.00845  -0.00845   2.11448
   D320       0.20007   0.00000   0.00000  -0.00564  -0.00563   0.19444
   D321       2.26508   0.00000   0.00000  -0.00773  -0.00773   2.25735
   D322      -0.61120   0.00000   0.00000  -0.00373  -0.00374  -0.61494
   D323       1.45381   0.00000   0.00000  -0.00582  -0.00584   1.44797
   D324      -0.65409   0.00000   0.00000  -0.00261  -0.00260  -0.65669
   D325       1.41092   0.00000   0.00000  -0.00470  -0.00469   1.40623
   D326       0.10325   0.00000   0.00000   0.00403   0.00403   0.10728
   D327       2.26909   0.00000   0.00000   0.00184   0.00183   2.27092
   D328       0.40958   0.00000   0.00000   0.00534   0.00535   0.41493
   D329       2.57542   0.00000   0.00000   0.00315   0.00316   2.57858
   D330       0.78388   0.00000   0.00000   0.00543   0.00546   0.78934
   D331       2.94972   0.00000   0.00000   0.00325   0.00327   2.95299
   D332       1.06589   0.00000   0.00000   0.00597   0.00600   1.07189
   D333      -3.05145   0.00000   0.00000   0.00378   0.00380  -3.04765
   D334       0.34390   0.00000   0.00000   0.00698   0.00699   0.35089
   D335       2.50974   0.00000   0.00000   0.00479   0.00480   2.51454
   D336       0.74177   0.00000   0.00000   0.01480   0.01491   0.75668
   D337       2.90761   0.00000   0.00000   0.01261   0.01272   2.92033
   D338      -2.31592   0.00000   0.00000   0.00314   0.00316  -2.31277
   D339      -0.15008   0.00000   0.00000   0.00095   0.00096  -0.14912
   D340      -1.94108   0.00000   0.00000   0.00426   0.00426  -1.93682
   D341       0.22476   0.00000   0.00000   0.00207   0.00207   0.22683
   D342      -1.87060   0.00000   0.00000   0.00861   0.00862  -1.86198
   D343       0.29524   0.00000   0.00000   0.00643   0.00642   0.30167
   D344      -1.55276   0.00000   0.00000   0.00915   0.00915  -1.54361
   D345       0.61308   0.00000   0.00000   0.00697   0.00696   0.62004
   D346      -1.59212   0.00000   0.00000   0.00182   0.00180  -1.59032
   D347       0.57372   0.00000   0.00000  -0.00037  -0.00039   0.57333
   D348      -1.29059   0.00000   0.00000   0.00249   0.00247  -1.28812
   D349       0.87525   0.00000   0.00000   0.00030   0.00027   0.87552
   D350       1.91027   0.00000   0.00000   0.01065   0.01063   1.92090
   D351      -2.20707   0.00000   0.00000   0.00846   0.00843  -2.19864
   D352       2.36467   0.00000   0.00000   0.00985   0.00981   2.37448
   D353      -1.75267   0.00000   0.00000   0.00766   0.00761  -1.74506
   D354       2.68922   0.00000   0.00000   0.01129   0.01121   2.70042
   D355      -1.42813   0.00000   0.00000   0.00910   0.00901  -1.41912
   D356      -2.99341   0.00000   0.00000   0.00022   0.00032  -2.99309
   D357      -0.82757   0.00000   0.00000  -0.00197  -0.00187  -0.82944
   D358       2.65259   0.00000   0.00000   0.00555   0.00553   2.65812
   D359      -1.46476   0.00000   0.00000   0.00336   0.00334  -1.46142
   D360       1.65036   0.00000   0.00000   0.00479   0.00479   1.65515
   D361      -2.46698   0.00000   0.00000   0.00261   0.00259  -2.46439
   D362       1.82543   0.00000   0.00000   0.00671   0.00670   1.83213
   D363      -2.29191   0.00000   0.00000   0.00453   0.00451  -2.28741
   D364       2.75679   0.00000   0.00000   0.00070   0.00066   2.75745
   D365      -1.36055   0.00000   0.00000  -0.00149  -0.00154  -1.36209
   D366       2.76372   0.00000   0.00000   0.00096   0.00093   2.76464
   D367      -1.35363   0.00000   0.00000  -0.00123  -0.00127  -1.35490
   D368       0.08632   0.00000   0.00000   0.00594   0.00595   0.09226
   D369      -2.32386   0.00000   0.00000   0.05754   0.05755  -2.26632
   D370       0.48654   0.00000   0.00000   0.00574   0.00575   0.49229
   D371      -1.92364   0.00000   0.00000   0.05733   0.05735  -1.86629
   D372       0.69854   0.00000   0.00000   0.00361   0.00363   0.70217
   D373      -1.71164   0.00000   0.00000   0.05521   0.05523  -1.65641
   D374       0.96554   0.00000   0.00000   0.00215   0.00217   0.96771
   D375      -1.44464   0.00000   0.00000   0.05374   0.05377  -1.39087
   D376       0.73202   0.00000   0.00000   0.00818   0.00821   0.74023
   D377      -1.67816   0.00000   0.00000   0.05978   0.05981  -1.61835
   D378       1.07423   0.00000   0.00000   0.00869   0.00870   1.08294
   D379      -1.33595   0.00000   0.00000   0.06029   0.06030  -1.27564
   D380      -2.67195   0.00000   0.00000   0.00135   0.00137  -2.67058
   D381       1.20106   0.00000   0.00000   0.05295   0.05297   1.25403
   D382      -2.15943   0.00000   0.00000  -0.00109  -0.00108  -2.16051
   D383       1.71358   0.00000   0.00000   0.05050   0.05052   1.76410
   D384      -1.91878   0.00000   0.00000   0.00230   0.00229  -1.91648
   D385       1.95423   0.00000   0.00000   0.05389   0.05389   2.00812
   D386      -1.59143   0.00000   0.00000   0.00213   0.00213  -1.58930
   D387       2.28158   0.00000   0.00000   0.05373   0.05372   2.33530
   D388      -1.72775   0.00000   0.00000  -0.00783  -0.00784  -1.73560
   D389       2.14525   0.00000   0.00000   0.04377   0.04375   2.18901
   D390      -1.17544   0.00000   0.00000  -0.00445  -0.00451  -1.17995
   D391       2.69757   0.00000   0.00000   0.04714   0.04709   2.74466
   D392       1.82740   0.00000   0.00000   0.00363   0.00362   1.83101
   D393      -0.58278   0.00000   0.00000   0.05522   0.05521  -0.52756
   D394       2.13961   0.00000   0.00000   0.00513   0.00512   2.14473
   D395      -0.27056   0.00000   0.00000   0.05673   0.05671  -0.21385
   D396       2.11383   0.00000   0.00000   0.00820   0.00818   2.12201
   D397      -0.29635   0.00000   0.00000   0.05979   0.05978  -0.23657
   D398       2.35077   0.00000   0.00000   0.00883   0.00879   2.35956
   D399      -0.05941   0.00000   0.00000   0.06042   0.06039   0.00098
   D400       2.52926   0.00000   0.00000   0.00396   0.00395   2.53321
   D401       0.11909   0.00000   0.00000   0.05556   0.05555   0.17463
   D402      -1.53299   0.00000   0.00000  -0.00200  -0.00201  -1.53500
   D403       2.34001   0.00000   0.00000   0.04960   0.04959   2.38960
   D404      -2.62597   0.00000   0.00000   0.00239   0.00241  -2.62356
   D405       1.24704   0.00000   0.00000   0.05399   0.05401   1.30104
   D406      -2.97202   0.00000   0.00000   0.00047   0.00050  -2.97153
   D407       0.90098   0.00000   0.00000   0.05206   0.05209   0.95308
   D408       1.92171   0.00000   0.00000   0.00469   0.00471   1.92642
   D409       2.43064   0.00000   0.00000   0.00749   0.00752   2.43816
   D410       2.65719   0.00000   0.00000   0.00512   0.00514   2.66233
   D411       2.88425   0.00000   0.00000   0.00427   0.00429   2.88853
   D412       2.88631   0.00000   0.00000   0.01506   0.01509   2.90139
   D413      -2.90153   0.00000   0.00000   0.01057   0.01054  -2.89099
   D414      -0.70820   0.00000   0.00000   0.00220   0.00221  -0.70599
   D415      -0.33254   0.00000   0.00000   0.00169   0.00169  -0.33085
   D416      -0.00532   0.00000   0.00000   0.00301   0.00301  -0.00232
   D417       0.29942   0.00000   0.00000   0.00243   0.00243   0.30184
   D418      -0.22216   0.00000   0.00000  -0.00069  -0.00069  -0.22285
   D419       0.07011   0.00000   0.00000  -0.00132  -0.00132   0.06880
   D420      -2.52570   0.00000   0.00000   0.00171   0.00171  -2.52399
   D421      -2.14499   0.00000   0.00000   0.00139   0.00140  -2.14360
   D422      -1.88165   0.00000   0.00000   0.00162   0.00164  -1.88001
   D423      -1.56475   0.00000   0.00000   0.00076   0.00078  -1.56397
   D424      -1.95047   0.00000   0.00000   0.00089   0.00090  -1.94957
   D425       1.29544   0.00000   0.00000  -0.00339  -0.00343   1.29201
   D426       2.46945   0.00000   0.00000   0.00318   0.00320   2.47265
   D427       2.94720   0.00000   0.00000   0.00556   0.00558   2.95278
   D428      -3.05052   0.00000   0.00000  -0.00202  -0.00202  -3.05254
   D429       0.02549   0.00000   0.00000   0.00033   0.00033   0.02582
   D430       0.06107   0.00000   0.00000  -0.00190  -0.00190   0.05917
   D431       3.13709   0.00000   0.00000   0.00044   0.00044   3.13753
   D432      -0.12087   0.00000   0.00000   0.00381   0.00381  -0.11706
   D433       1.97767   0.00000   0.00000   0.00362   0.00362   1.98129
   D434      -2.21801   0.00000   0.00000   0.00371   0.00371  -2.21430
   D435       3.08296   0.00000   0.00000   0.00162   0.00162   3.08458
   D436      -1.10168   0.00000   0.00000   0.00143   0.00143  -1.10026
   D437       0.98581   0.00000   0.00000   0.00152   0.00152   0.98734
   D438      -2.33620   0.00000   0.00000  -0.00758  -0.00758  -2.34378
   D439      -0.24502   0.00000   0.00000  -0.00800  -0.00800  -0.25302
   D440       1.86304   0.00000   0.00000  -0.00794  -0.00794   1.85510
   D441       0.74296   0.00000   0.00000  -0.00536  -0.00536   0.73761
   D442       2.83414   0.00000   0.00000  -0.00578  -0.00578   2.82836
   D443      -1.34098   0.00000   0.00000  -0.00571  -0.00572  -1.34670
   D444       0.00483   0.00000   0.00000  -0.00026  -0.00026   0.00457
   D445       3.11274   0.00000   0.00000  -0.00094  -0.00094   3.11181
   D446      -3.11408   0.00000   0.00000  -0.00013  -0.00013  -3.11420
   D447      -0.00616   0.00000   0.00000  -0.00081  -0.00081  -0.00697
   D448       2.43153   0.00000   0.00000  -0.00633  -0.00633   2.42519
   D449      -1.76827   0.00000   0.00000  -0.00650  -0.00650  -1.77476
   D450       0.33976   0.00000   0.00000  -0.00685  -0.00685   0.33291
   D451      -0.67799   0.00000   0.00000  -0.00570  -0.00569  -0.68369
   D452       1.40540   0.00000   0.00000  -0.00586  -0.00586   1.39954
   D453      -2.76976   0.00000   0.00000  -0.00621  -0.00621  -2.77597
   D454       2.04704   0.00000   0.00000   0.00160   0.00160   2.04863
   D455      -2.15235   0.00000   0.00000   0.00146   0.00146  -2.15089
   D456      -0.05910   0.00000   0.00000   0.00154   0.00154  -0.05756
   D457      -1.12662   0.00000   0.00000   0.00097   0.00096  -1.12566
   D458       0.95718   0.00000   0.00000   0.00082   0.00082   0.95800
   D459       3.05042   0.00000   0.00000   0.00091   0.00091   3.05133
   D460      -3.08689   0.00000   0.00000   0.00010   0.00010  -3.08679
   D461      -0.02190   0.00000   0.00000  -0.00125  -0.00125  -0.02315
   D462       0.06868   0.00000   0.00000  -0.00008  -0.00008   0.06860
   D463       3.13367   0.00000   0.00000  -0.00143  -0.00143   3.13224
   D464       1.91638   0.00000   0.00000   0.00132   0.00133   1.91770
   D465      -2.28459   0.00000   0.00000   0.00127   0.00128  -2.28331
   D466      -0.19183   0.00000   0.00000   0.00143   0.00143  -0.19040
   D467      -1.15167   0.00000   0.00000   0.00259   0.00259  -1.14908
   D468       0.93054   0.00000   0.00000   0.00254   0.00254   0.93309
   D469       3.02331   0.00000   0.00000   0.00269   0.00269   3.02600
   D470      -1.63502   0.00000   0.00000  -0.00650  -0.00650  -1.64152
   D471       0.46973   0.00000   0.00000  -0.00645  -0.00645   0.46327
   D472       2.56030   0.00000   0.00000  -0.00576  -0.00575   2.55455
   D473       1.43344   0.00000   0.00000  -0.00776  -0.00776   1.42568
   D474      -2.74500   0.00000   0.00000  -0.00772  -0.00772  -2.75272
   D475      -0.65443   0.00000   0.00000  -0.00702  -0.00701  -0.66144
   D476       0.01579   0.00000   0.00000   0.00642   0.00642   0.02221
   D477      -3.02204   0.00000   0.00000  -0.00922  -0.00924  -3.03127
   D478       3.12904   0.00000   0.00000   0.00556   0.00558   3.13462
   D479       0.09121   0.00000   0.00000  -0.01007  -0.01008   0.08114
   D480      -0.27620   0.00000   0.00000   0.00133   0.00133  -0.27487
   D481       1.83201   0.00000   0.00000   0.00136   0.00136   1.83337
   D482      -2.36851   0.00000   0.00000   0.00178   0.00176  -2.36675
   D483       2.76690   0.00000   0.00000   0.01618   0.01620   2.78310
   D484      -1.40807   0.00000   0.00000   0.01621   0.01623  -1.39184
   D485       0.67459   0.00000   0.00000   0.01663   0.01663   0.69122
   D486      -0.11118   0.00000   0.00000   0.01778   0.01776  -0.09342
   D487       1.98532   0.00000   0.00000   0.01820   0.01819   2.00351
   D488      -2.21349   0.00000   0.00000   0.01890   0.01893  -2.19456
   D489       3.12879   0.00000   0.00000   0.00300   0.00295   3.13174
   D490      -1.05790   0.00000   0.00000   0.00342   0.00339  -1.05451
   D491       1.02648   0.00000   0.00000   0.00412   0.00413   1.03060
         Item               Value     Threshold  Converged?
 Maximum Force            0.000006     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.085942     0.001800     NO 
 RMS     Displacement     0.007032     0.001200     NO 
 Predicted change in Energy=-1.485331D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Mon Nov 14 06:44:41 2016, MaxMem=  2952790016 cpu:         2.1
 (Enter /mnt/data/applications/G09/g09/l9999.exe)
 1\1\GINC-KIMIK2168\Freq\RB97D\Gen\C12H28Cs1N4O4(1+)\RKUNIYIL\14-Nov-20
 16\0\\#P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB97D/ChkBas Fre
 q\\opt\\1,1\Cs,-1.7832137135,-0.5765344216,1.6296727218\C,-2.040528744
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 IF YOU WISH TO UNDERSTAND THE FRAGRANCE OF THE ROSE, 
 OR THE TENACITY OF THE OAK; 
 IF YOU ARE NOT SATISFIED UNTIL YOU KNOW THE SECRET PATHS 
 BY WHICH THE SUNSHINE AND THE AIR ACHIEVE THESE WONDERS; 
 IF YOU WISH TO SEE THE PATTERN WHICH UNDERLIES ONE LARGE FIELD OF 
 HUMAN EXPERIENCE AND HUMAN MEASUREMENT, THEN TAKE UP CHEMISTRY.

                                         -- C. A. COULSON, 1973.
 Job cpu time:       0 days  7 hours 36 minutes 53.3 seconds.
 File lengths (MBytes):  RWF=   1285 Int=      0 D2E=      0 Chk=     38 Scr=      1
 Normal termination of Gaussian 09 at Mon Nov 14 06:44:41 2016.
